smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000120242412 834981766 /nfs/dbraw/zinc/98/17/66/834981766.db2.gz OAALDCBZZZRSRY-LJQANCHMSA-N 1 2 386.459 3.509 20 30 GHEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000120242412 834981774 /nfs/dbraw/zinc/98/17/74/834981774.db2.gz OAALDCBZZZRSRY-LJQANCHMSA-N 1 2 386.459 3.509 20 30 GHEDLO Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC(C#N)(c3ccccn3)CC2)c(C)c1 ZINC000548865908 835575228 /nfs/dbraw/zinc/57/52/28/835575228.db2.gz JIYRRZFFFFILSW-IBGZPJMESA-N 1 2 376.504 3.891 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@](C)(C#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000612148443 835681066 /nfs/dbraw/zinc/68/10/66/835681066.db2.gz IIUNWPGUBGCXPM-NSHGMRRFSA-N 1 2 392.906 3.950 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@](C)(C#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000612148443 835681072 /nfs/dbraw/zinc/68/10/72/835681072.db2.gz IIUNWPGUBGCXPM-NSHGMRRFSA-N 1 2 392.906 3.950 20 30 GHEDLO Cc1ccc(-c2n[nH]cc2C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)o1 ZINC000582042263 836222732 /nfs/dbraw/zinc/22/27/32/836222732.db2.gz DNBHYMXUHBWBJE-UHFFFAOYSA-N 1 2 381.867 3.825 20 30 GHEDLO Cc1cc(N2CCN(c3nc(C(C)(C)C)ccc3C#N)CC2)nc(C(C)C)[nH+]1 ZINC000613410286 836316507 /nfs/dbraw/zinc/31/65/07/836316507.db2.gz CNJHAQLOHYNAAC-UHFFFAOYSA-N 1 2 378.524 3.799 20 30 GHEDLO COc1ccc(C[NH+]2CCN(c3nc(C(C)(C)C)ccc3C#N)CC2)cc1F ZINC000613411097 836318738 /nfs/dbraw/zinc/31/87/38/836318738.db2.gz CVXSKQIFBNJMQG-UHFFFAOYSA-N 1 2 382.483 3.721 20 30 GHEDLO CC(C)(C)c1ccc(C#N)c(N2CC[NH+]([C@H](CO)c3ccc(Cl)cc3)CC2)n1 ZINC000613424141 836367193 /nfs/dbraw/zinc/36/71/93/836367193.db2.gz ZVXGOJDEEPMKJF-LJQANCHMSA-N 1 2 398.938 3.760 20 30 GHEDLO CSc1nc(-c2ccccc2)nc(N2CCC(n3cc[nH+]c3)CC2)c1C#N ZINC001167125977 836457965 /nfs/dbraw/zinc/45/79/65/836457965.db2.gz MKMNKPHPJOZWQD-UHFFFAOYSA-N 1 2 376.489 3.775 20 30 GHEDLO C[C@H]([C@H](C)NC(=O)c1ccc(Sc2ccccc2C#N)cc1)[NH+]1CCOCC1 ZINC000175580851 836715483 /nfs/dbraw/zinc/71/54/83/836715483.db2.gz AEZMWTFNLDTWEU-DLBZAZTESA-N 1 2 395.528 3.548 20 30 GHEDLO COc1ccccc1[C@H]1CC[C@H](C)C[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000510238974 836920960 /nfs/dbraw/zinc/92/09/60/836920960.db2.gz JFWRJKKMPZMSKR-LAUBAEHRSA-N 1 2 398.528 3.814 20 30 GHEDLO COc1ccccc1[C@H]1CC[C@H](C)C[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000510238974 836920965 /nfs/dbraw/zinc/92/09/65/836920965.db2.gz JFWRJKKMPZMSKR-LAUBAEHRSA-N 1 2 398.528 3.814 20 30 GHEDLO N#CCSc1cccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000176000455 837122222 /nfs/dbraw/zinc/12/22/22/837122222.db2.gz GESSEWJAXSWYOO-VMPITWQZSA-N 1 2 377.513 3.773 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCC[C@H]3c3ccccc3)CC2)cc1 ZINC000511517121 838651365 /nfs/dbraw/zinc/65/13/65/838651365.db2.gz ULQNGCWITXYPSH-XZOQPEGZSA-N 1 2 388.515 3.722 20 30 GHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000610357756 838660713 /nfs/dbraw/zinc/66/07/13/838660713.db2.gz SSNMOARKITYRTC-GOSISDBHSA-N 1 2 391.519 3.962 20 30 GHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000610357757 838660897 /nfs/dbraw/zinc/66/08/97/838660897.db2.gz SSNMOARKITYRTC-SFHVURJKSA-N 1 2 391.519 3.962 20 30 GHEDLO C[N@@H+]1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)c2ccccc2C1 ZINC000103410544 838676816 /nfs/dbraw/zinc/67/68/16/838676816.db2.gz OFMTXOYAJFJHEB-UHFFFAOYSA-N 1 2 387.439 3.822 20 30 GHEDLO C[N@H+]1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)c2ccccc2C1 ZINC000103410544 838676820 /nfs/dbraw/zinc/67/68/20/838676820.db2.gz OFMTXOYAJFJHEB-UHFFFAOYSA-N 1 2 387.439 3.822 20 30 GHEDLO Cc1ccc2[nH+]c(CSCC(=O)N[C@H]3CCCc4cc(C#N)ccc43)cn2c1 ZINC000416340252 838990207 /nfs/dbraw/zinc/99/02/07/838990207.db2.gz JRGCFVDKVQXKAZ-FQEVSTJZSA-N 1 2 390.512 3.941 20 30 GHEDLO CCn1c[nH+]cc1CNc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 ZINC000416429259 839204282 /nfs/dbraw/zinc/20/42/82/839204282.db2.gz XWLPGYGOAIUXHQ-UHFFFAOYSA-N 1 2 391.422 3.875 20 30 GHEDLO COc1ccc2cc(C[N@H+](C)Cc3nc4ccccc4c(=O)n3CC#N)ccc2c1 ZINC000014289143 839466423 /nfs/dbraw/zinc/46/64/23/839466423.db2.gz VILLKKAVZBPAPO-UHFFFAOYSA-N 1 2 398.466 3.714 20 30 GHEDLO COc1ccc2cc(C[N@@H+](C)Cc3nc4ccccc4c(=O)n3CC#N)ccc2c1 ZINC000014289143 839466438 /nfs/dbraw/zinc/46/64/38/839466438.db2.gz VILLKKAVZBPAPO-UHFFFAOYSA-N 1 2 398.466 3.714 20 30 GHEDLO C=C[C@@](C)(O)CC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000548091854 839482019 /nfs/dbraw/zinc/48/20/19/839482019.db2.gz INZGISIHIMDLNJ-HSZRJFAPSA-N 1 2 375.472 3.542 20 30 GHEDLO NC(=[NH+]OCc1cc(-c2ccco2)on1)c1ccc(OCc2cccnc2)cc1 ZINC000194719913 840339005 /nfs/dbraw/zinc/33/90/05/840339005.db2.gz IMKGIANWCOTOQN-UHFFFAOYSA-N 1 2 390.399 3.746 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000330235439 841038050 /nfs/dbraw/zinc/03/80/50/841038050.db2.gz GXOZKQKDYIALQK-CYBMUJFWSA-N 1 2 383.521 3.750 20 30 GHEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(-c3c(OC)ccc4ccccc43)no2)C1=O ZINC000500002288 841251853 /nfs/dbraw/zinc/25/18/53/841251853.db2.gz SGYLUJLKLSDGQI-HXUWFJFHSA-N 1 2 391.471 3.722 20 30 GHEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(-c3c(OC)ccc4ccccc43)no2)C1=O ZINC000500002288 841251858 /nfs/dbraw/zinc/25/18/58/841251858.db2.gz SGYLUJLKLSDGQI-HXUWFJFHSA-N 1 2 391.471 3.722 20 30 GHEDLO Cc1sc(NC(=O)C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)c(C#N)c1C ZINC000096982024 841669799 /nfs/dbraw/zinc/66/97/99/841669799.db2.gz OSCOTARXEQCILW-OAHLLOKOSA-N 1 2 389.546 3.918 20 30 GHEDLO Cc1sc(NC(=O)C[N@H+](Cc2cccs2)C[C@H]2CCCO2)c(C#N)c1C ZINC000096982024 841669805 /nfs/dbraw/zinc/66/98/05/841669805.db2.gz OSCOTARXEQCILW-OAHLLOKOSA-N 1 2 389.546 3.918 20 30 GHEDLO N#Cc1cc2c(nc1N1CC[NH+](Cc3cccc(C(F)(F)F)c3)CC1)CCC2 ZINC000603839289 861231258 /nfs/dbraw/zinc/23/12/58/861231258.db2.gz MHVGIYAHFYBDNK-UHFFFAOYSA-N 1 2 386.421 3.783 20 30 GHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+][C@@H](C)c2nccs2)c1C#N ZINC000184389679 842605300 /nfs/dbraw/zinc/60/53/00/842605300.db2.gz RBDDUSSNBALMTI-HNNXBMFYSA-N 1 2 393.516 3.771 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000512153794 842663536 /nfs/dbraw/zinc/66/35/36/842663536.db2.gz VKLKNVBAEUJVSM-KRWDZBQOSA-N 1 2 399.466 3.624 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000512153794 842663542 /nfs/dbraw/zinc/66/35/42/842663542.db2.gz VKLKNVBAEUJVSM-KRWDZBQOSA-N 1 2 399.466 3.624 20 30 GHEDLO C=CCN(Cc1ccccc1F)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000056848453 842664982 /nfs/dbraw/zinc/66/49/82/842664982.db2.gz DDLIDFZCWAOQRF-UHFFFAOYSA-N 1 2 378.451 3.968 20 30 GHEDLO C=C(C)Cn1c(C)nnc1N1CC[NH+]([C@H](CC)c2ccc(F)cc2F)CC1 ZINC000549644457 842875235 /nfs/dbraw/zinc/87/52/35/842875235.db2.gz QFFAYKNLKBDHIY-LJQANCHMSA-N 1 2 375.467 3.714 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000603903105 861360021 /nfs/dbraw/zinc/36/00/21/861360021.db2.gz PGNNNKVDXJPBGY-CABCVRRESA-N 1 2 397.548 3.818 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000603903105 861360029 /nfs/dbraw/zinc/36/00/29/861360029.db2.gz PGNNNKVDXJPBGY-CABCVRRESA-N 1 2 397.548 3.818 20 30 GHEDLO C[C@@H]1[C@@H](C)[N@H+](CC#Cc2ccc(F)cc2)CCN1CC#Cc1ccc(F)cc1 ZINC000662225546 842969962 /nfs/dbraw/zinc/96/99/62/842969962.db2.gz VNNDNZMNEPKOKE-WOJBJXKFSA-N 1 2 378.466 3.763 20 30 GHEDLO C[C@@H]1[C@@H](C)[N@@H+](CC#Cc2ccc(F)cc2)CCN1CC#Cc1ccc(F)cc1 ZINC000662225546 842969967 /nfs/dbraw/zinc/96/99/67/842969967.db2.gz VNNDNZMNEPKOKE-WOJBJXKFSA-N 1 2 378.466 3.763 20 30 GHEDLO O=C(NCC#Cc1cccc(F)c1)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000549588962 842998899 /nfs/dbraw/zinc/99/88/99/842998899.db2.gz DONVYMQFLXSFSI-YADHBBJMSA-N 1 2 388.446 3.602 20 30 GHEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000500610494 843730998 /nfs/dbraw/zinc/73/09/98/843730998.db2.gz LTMYMORARZDMTN-KBRIMQKVSA-N 1 2 388.393 3.554 20 30 GHEDLO N#Cc1ccc(Br)cc1CN1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001141907952 861504491 /nfs/dbraw/zinc/50/44/91/861504491.db2.gz UUWJKEMQIIQSHZ-INIZCTEOSA-N 1 2 384.268 3.626 20 30 GHEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 ZINC000535901921 845136844 /nfs/dbraw/zinc/13/68/44/845136844.db2.gz CUAMLVSDVONIMR-INIZCTEOSA-N 1 2 390.418 3.853 20 30 GHEDLO COc1cc(C(N)=[NH+]OCCOc2ccccc2Cl)ccc1OC(F)F ZINC000098073593 845253744 /nfs/dbraw/zinc/25/37/44/845253744.db2.gz SELLAHSNXHRGDZ-UHFFFAOYSA-N 1 2 386.782 3.666 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCOCC2(CCCC2)C1 ZINC000614222860 845288618 /nfs/dbraw/zinc/28/86/18/845288618.db2.gz LHWDSJJSGDWWJT-KRWDZBQOSA-N 1 2 387.549 3.769 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCOCC2(CCCC2)C1 ZINC000614222860 845288622 /nfs/dbraw/zinc/28/86/22/845288622.db2.gz LHWDSJJSGDWWJT-KRWDZBQOSA-N 1 2 387.549 3.769 20 30 GHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000614235913 845372087 /nfs/dbraw/zinc/37/20/87/845372087.db2.gz PKSVYCMMGIREOC-AVRDEDQJSA-N 1 2 388.471 3.534 20 30 GHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000614235913 845372092 /nfs/dbraw/zinc/37/20/92/845372092.db2.gz PKSVYCMMGIREOC-AVRDEDQJSA-N 1 2 388.471 3.534 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)c(C#N)c1C ZINC000555685985 861582557 /nfs/dbraw/zinc/58/25/57/861582557.db2.gz NNPXDTFSSOMKTP-CXAGYDPISA-N 1 2 387.867 3.902 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)c(C#N)c1C ZINC000555685985 861582562 /nfs/dbraw/zinc/58/25/62/861582562.db2.gz NNPXDTFSSOMKTP-CXAGYDPISA-N 1 2 387.867 3.902 20 30 GHEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2cnc(-c3ccncc3)s2)CC1 ZINC000509539585 846231023 /nfs/dbraw/zinc/23/10/23/846231023.db2.gz IBFKOADDTNJJEY-UHFFFAOYSA-N 1 2 379.464 3.538 20 30 GHEDLO CC(C)COc1ccccc1C[N@@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000513665283 846232327 /nfs/dbraw/zinc/23/23/27/846232327.db2.gz COEAFDZEOYRDAI-WZONZLPQSA-N 1 2 375.472 3.567 20 30 GHEDLO CC(C)COc1ccccc1C[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000513665283 846232330 /nfs/dbraw/zinc/23/23/30/846232330.db2.gz COEAFDZEOYRDAI-WZONZLPQSA-N 1 2 375.472 3.567 20 30 GHEDLO COc1cc(NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c(F)cc1C#N ZINC000599815615 861717207 /nfs/dbraw/zinc/71/72/07/861717207.db2.gz ZSSQMIXRIFZSFH-UHFFFAOYSA-N 1 2 385.443 3.627 20 30 GHEDLO N#CCOc1cccc(CC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)c1 ZINC000277535155 846793812 /nfs/dbraw/zinc/79/38/12/846793812.db2.gz HVOLTHYHHFJNTI-UHFFFAOYSA-N 1 2 386.455 3.970 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)c2ccccc2OCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152455856 847122717 /nfs/dbraw/zinc/12/27/17/847122717.db2.gz QLGYHQUJDPHJHZ-HKUYNNGSSA-N 1 2 387.842 3.557 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)c2ccccc2OCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152455856 847122720 /nfs/dbraw/zinc/12/27/20/847122720.db2.gz QLGYHQUJDPHJHZ-HKUYNNGSSA-N 1 2 387.842 3.557 20 30 GHEDLO Cc1nc([C@@H]2CCCN2C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)no1 ZINC000329609952 861759192 /nfs/dbraw/zinc/75/91/92/861759192.db2.gz JDUOGXRZZRFWSJ-SFHVURJKSA-N 1 2 392.463 3.960 20 30 GHEDLO Cc1nc([C@H]2CCCN2C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)no1 ZINC000329609950 861759790 /nfs/dbraw/zinc/75/97/90/861759790.db2.gz JDUOGXRZZRFWSJ-GOSISDBHSA-N 1 2 392.463 3.960 20 30 GHEDLO C[C@]([NH2+]CC#Cc1ccccc1Cl)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000135207017 848107028 /nfs/dbraw/zinc/10/70/28/848107028.db2.gz XETGPEWQNCCJIB-GOSISDBHSA-N 1 2 380.797 3.701 20 30 GHEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000511213306 848667605 /nfs/dbraw/zinc/66/76/05/848667605.db2.gz ABZYPQGERWONLS-UHFFFAOYSA-N 1 2 391.302 3.738 20 30 GHEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000511213306 848667607 /nfs/dbraw/zinc/66/76/07/848667607.db2.gz ABZYPQGERWONLS-UHFFFAOYSA-N 1 2 391.302 3.738 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438984 849437414 /nfs/dbraw/zinc/43/74/14/849437414.db2.gz TUKPVIULCVOGIW-LLVKDONJSA-N 1 2 375.444 3.846 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438984 849437417 /nfs/dbraw/zinc/43/74/17/849437417.db2.gz TUKPVIULCVOGIW-LLVKDONJSA-N 1 2 375.444 3.846 20 30 GHEDLO C=C(C)COc1cc(CNc2ccc(N3CCC(CO)CC3)c[nH+]2)ccc1OC ZINC000150920878 849690619 /nfs/dbraw/zinc/69/06/19/849690619.db2.gz YTKGRNJGQHDATB-UHFFFAOYSA-N 1 2 397.519 3.866 20 30 GHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2nc3c(cccc3Cl)[nH]2)cc1 ZINC000732070547 862055326 /nfs/dbraw/zinc/05/53/26/862055326.db2.gz WKEQJNLAUPVCLF-SFHVURJKSA-N 1 2 378.863 3.919 20 30 GHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2nc3c(cccc3Cl)[nH]2)cc1 ZINC000732070547 862055339 /nfs/dbraw/zinc/05/53/39/862055339.db2.gz WKEQJNLAUPVCLF-SFHVURJKSA-N 1 2 378.863 3.919 20 30 GHEDLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1CCO[C@H](C2CCCCC2)C1 ZINC000329685364 862056152 /nfs/dbraw/zinc/05/61/52/862056152.db2.gz URFBPJRRUHPJJE-NRFANRHFSA-N 1 2 382.508 3.627 20 30 GHEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(Oc2ccnc3ccccc32)cc1 ZINC000514597585 850040889 /nfs/dbraw/zinc/04/08/89/850040889.db2.gz SOLACLIWNPIHSK-SFHVURJKSA-N 1 2 376.460 3.645 20 30 GHEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(Oc2ccnc3ccccc32)cc1 ZINC000514597585 850040897 /nfs/dbraw/zinc/04/08/97/850040897.db2.gz SOLACLIWNPIHSK-SFHVURJKSA-N 1 2 376.460 3.645 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000514845422 850360738 /nfs/dbraw/zinc/36/07/38/850360738.db2.gz HINOBFPAJWGDAJ-NLEAXPPASA-N 1 2 381.426 3.502 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000514845422 850360750 /nfs/dbraw/zinc/36/07/50/850360750.db2.gz HINOBFPAJWGDAJ-NLEAXPPASA-N 1 2 381.426 3.502 20 30 GHEDLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C#N)cs1 ZINC000439782947 850388065 /nfs/dbraw/zinc/38/80/65/850388065.db2.gz OAJHNRYBRHMOMC-BEFAXECRSA-N 1 2 382.533 3.696 20 30 GHEDLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C#N)cs1 ZINC000439782947 850388076 /nfs/dbraw/zinc/38/80/76/850388076.db2.gz OAJHNRYBRHMOMC-BEFAXECRSA-N 1 2 382.533 3.696 20 30 GHEDLO C=CCOC(=O)[C@@H](Nc1ccc(-c2ccc(-n3cc[nH+]c3)cc2)nn1)[C@@H](C)CC ZINC001167959274 850581267 /nfs/dbraw/zinc/58/12/67/850581267.db2.gz CPRBSNYAEYWXHV-KKSFZXQISA-N 1 2 391.475 3.885 20 30 GHEDLO N#Cc1c(Br)cccc1NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000439954034 850622686 /nfs/dbraw/zinc/62/26/86/850622686.db2.gz PMNVPQJCLVVZDS-LJQANCHMSA-N 1 2 386.293 3.806 20 30 GHEDLO N#Cc1ccc(NC(=O)NCCCCNc2cccc[nH+]2)cc1Br ZINC000487845634 850930110 /nfs/dbraw/zinc/93/01/10/850930110.db2.gz XBFSVUWRBJKQHR-UHFFFAOYSA-N 1 2 388.269 3.730 20 30 GHEDLO Cc1ccn(C2CC[NH+](CC(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)n1 ZINC000434503754 851209038 /nfs/dbraw/zinc/20/90/38/851209038.db2.gz JIBOUOXTQUEQFR-UHFFFAOYSA-N 1 2 397.548 3.669 20 30 GHEDLO CC[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CC[C@H](C#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000425494014 851340414 /nfs/dbraw/zinc/34/04/14/851340414.db2.gz WORXMKCSZZNAOL-GGBBIFEXSA-N 1 2 378.879 3.606 20 30 GHEDLO CC[N@H+]1CC[C@@H](NC(=O)N[C@@H]2CC[C@H](C#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000425494014 851340420 /nfs/dbraw/zinc/34/04/20/851340420.db2.gz WORXMKCSZZNAOL-GGBBIFEXSA-N 1 2 378.879 3.606 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)N[C@]2(C)CCO[C@@H]2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000329766462 862304860 /nfs/dbraw/zinc/30/48/60/862304860.db2.gz YFEJVWGBDFGAIS-PNYFIKQUSA-N 1 2 395.906 3.686 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)N[C@]2(C)CCO[C@@H]2C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000329766462 862304880 /nfs/dbraw/zinc/30/48/80/862304880.db2.gz YFEJVWGBDFGAIS-PNYFIKQUSA-N 1 2 395.906 3.686 20 30 GHEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCCC[C@@H]2c2nccn2CC)c(OC)c1 ZINC000549998988 852142656 /nfs/dbraw/zinc/14/26/56/852142656.db2.gz KUKSWIZGMIXXCU-VQTJNVASSA-N 1 2 399.535 3.607 20 30 GHEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@@H]2c2nccn2CC)c(OC)c1 ZINC000549998988 852142666 /nfs/dbraw/zinc/14/26/66/852142666.db2.gz KUKSWIZGMIXXCU-VQTJNVASSA-N 1 2 399.535 3.607 20 30 GHEDLO COc1cc(C)cc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000489671835 852520919 /nfs/dbraw/zinc/52/09/19/852520919.db2.gz KMBRANUWVYXMCK-UHFFFAOYSA-N 1 2 378.476 3.533 20 30 GHEDLO C=CCC[C@H](NC(=O)NCC[N@H+]1CCOC[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000440863021 853686424 /nfs/dbraw/zinc/68/64/24/853686424.db2.gz WNYBUDKAUQTFIP-QAPCUYQASA-N 1 2 399.457 3.733 20 30 GHEDLO C=CCC[C@H](NC(=O)NCC[N@@H+]1CCOC[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000440863021 853686429 /nfs/dbraw/zinc/68/64/29/853686429.db2.gz WNYBUDKAUQTFIP-QAPCUYQASA-N 1 2 399.457 3.733 20 30 GHEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000441017885 853835653 /nfs/dbraw/zinc/83/56/53/853835653.db2.gz SCCBSJWZHARCPT-HXUWFJFHSA-N 1 2 377.488 3.677 20 30 GHEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000441017885 853835660 /nfs/dbraw/zinc/83/56/60/853835660.db2.gz SCCBSJWZHARCPT-HXUWFJFHSA-N 1 2 377.488 3.677 20 30 GHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000330013887 862507655 /nfs/dbraw/zinc/50/76/55/862507655.db2.gz MPICQJXCPBZCFZ-RQUSPXKASA-N 1 2 375.419 3.927 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)Nc2ccc(CC#N)cc2)[C@@H](C)C1 ZINC000441329707 854115184 /nfs/dbraw/zinc/11/51/84/854115184.db2.gz JUOANAITVLHWDV-SFHVURJKSA-N 1 2 392.503 3.890 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)Nc2ccc(CC#N)cc2)[C@@H](C)C1 ZINC000441329707 854115190 /nfs/dbraw/zinc/11/51/90/854115190.db2.gz JUOANAITVLHWDV-SFHVURJKSA-N 1 2 392.503 3.890 20 30 GHEDLO CCC(=O)N1CCC[C@@H](C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000328793143 854558936 /nfs/dbraw/zinc/55/89/36/854558936.db2.gz ARFPINFWDGFXPU-QGZVFWFLSA-N 1 2 378.476 3.838 20 30 GHEDLO C[C@@H]1C[N@H+](CC(=O)NCC2(c3ccccc3)CCCC2)C[C@@]2(CCCOC2)O1 ZINC000330126876 862597279 /nfs/dbraw/zinc/59/72/79/862597279.db2.gz MPIUEFPQOMQDFK-AUSIDOKSSA-N 1 2 386.536 3.725 20 30 GHEDLO C[C@@H]1C[N@@H+](CC(=O)NCC2(c3ccccc3)CCCC2)C[C@@]2(CCCOC2)O1 ZINC000330126876 862597301 /nfs/dbraw/zinc/59/73/01/862597301.db2.gz MPIUEFPQOMQDFK-AUSIDOKSSA-N 1 2 386.536 3.725 20 30 GHEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000126023098 854803642 /nfs/dbraw/zinc/80/36/42/854803642.db2.gz AAAPQCJJGJCWMY-UHFFFAOYSA-N 1 2 394.519 3.978 20 30 GHEDLO C=CCN(Cc1cc(Br)ccc1F)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000572529695 854864498 /nfs/dbraw/zinc/86/44/98/854864498.db2.gz QQYFIAYBMSJIQN-ZDUSSCGKSA-N 1 2 380.261 3.951 20 30 GHEDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H](C)c3ccc(C#N)cc3)c2C1 ZINC000045407168 854872315 /nfs/dbraw/zinc/87/23/15/854872315.db2.gz WLIZQGAVBJYWKU-INIZCTEOSA-N 1 2 384.483 3.975 20 30 GHEDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H](C)c3ccc(C#N)cc3)c2C1 ZINC000045407168 854872316 /nfs/dbraw/zinc/87/23/16/854872316.db2.gz WLIZQGAVBJYWKU-INIZCTEOSA-N 1 2 384.483 3.975 20 30 GHEDLO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(c2ccc(C#N)c([N+](=O)[O-])c2)CC1 ZINC000589558072 855025403 /nfs/dbraw/zinc/02/54/03/855025403.db2.gz VMNSNTVTEDTHBC-CQSZACIVSA-N 1 2 393.472 3.959 20 30 GHEDLO C=C(C)C(C)(C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC001128044827 855182762 /nfs/dbraw/zinc/18/27/62/855182762.db2.gz DLMNYXMWWTUPOA-UHFFFAOYSA-N 1 2 380.330 3.742 20 30 GHEDLO Cc1[nH]c2ccccc2c1C1CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330197749 862654622 /nfs/dbraw/zinc/65/46/22/862654622.db2.gz SFKGCUILLITPCF-QGZVFWFLSA-N 1 2 377.492 3.781 20 30 GHEDLO COc1cc(CN2CCC[C@@](C)(C#N)C2)cc(C[N@@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000590115648 855285259 /nfs/dbraw/zinc/28/52/59/855285259.db2.gz LHLORRLPZCOEAO-GOTSBHOMSA-N 1 2 380.536 3.947 20 30 GHEDLO COc1cc(CN2CCC[C@@](C)(C#N)C2)cc(C[N@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000590115648 855285271 /nfs/dbraw/zinc/28/52/71/855285271.db2.gz LHLORRLPZCOEAO-GOTSBHOMSA-N 1 2 380.536 3.947 20 30 GHEDLO Cc1[nH+]ccn1-c1c(Cl)cccc1NS(=O)(=O)c1cccc(CC#N)c1 ZINC000590592689 855502945 /nfs/dbraw/zinc/50/29/45/855502945.db2.gz GBPBJENBKSQSMJ-UHFFFAOYSA-N 1 2 386.864 3.701 20 30 GHEDLO CC1(C)[C@H](NC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)[C@H]2CCO[C@@H]21 ZINC000330263554 862704634 /nfs/dbraw/zinc/70/46/34/862704634.db2.gz WRKWJMXEAOEOQJ-QRVBRYPASA-N 1 2 380.492 3.835 20 30 GHEDLO C[C@@H]1CCN(c2c(C#N)cnc3ccc(OC(F)F)cc32)C[C@H]1n1cc[nH+]c1 ZINC000301663774 855737285 /nfs/dbraw/zinc/73/72/85/855737285.db2.gz YUWBHZVHFITWAF-FZKQIMNGSA-N 1 2 383.402 3.992 20 30 GHEDLO N#Cc1nccnc1N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000301762736 855755090 /nfs/dbraw/zinc/75/50/90/855755090.db2.gz DOEUGJZBEPYARW-OAQYLSRUSA-N 1 2 389.890 3.913 20 30 GHEDLO CC(C)(C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000108278019 855799190 /nfs/dbraw/zinc/79/91/90/855799190.db2.gz MGBGFTBPZJRQDE-UHFFFAOYSA-N 1 2 381.907 3.834 20 30 GHEDLO C#CC[N@@H+](Cc1c(C)nn(C)c1C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000733195245 862774374 /nfs/dbraw/zinc/77/43/74/862774374.db2.gz HVCZGKFDAKPYQM-GOSISDBHSA-N 1 2 388.309 3.758 20 30 GHEDLO C#CC[N@H+](Cc1c(C)nn(C)c1C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000733195245 862774383 /nfs/dbraw/zinc/77/43/83/862774383.db2.gz HVCZGKFDAKPYQM-GOSISDBHSA-N 1 2 388.309 3.758 20 30 GHEDLO N#Cc1cccc(S(=O)(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1 ZINC000171779280 856262830 /nfs/dbraw/zinc/26/28/30/856262830.db2.gz GUAFSGMMDVMEQM-UHFFFAOYSA-N 1 2 378.457 3.559 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCC(C(=O)c3ccc(O)cc3)CC2)c(OC(F)F)c1 ZINC000674494668 856349715 /nfs/dbraw/zinc/34/97/15/856349715.db2.gz YQYWTLZTBHVGSD-UHFFFAOYSA-N 1 2 386.398 3.960 20 30 GHEDLO N#Cc1cc(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)c[nH]1 ZINC000181193735 862792257 /nfs/dbraw/zinc/79/22/57/862792257.db2.gz DWNSOEQTHXPTFV-UHFFFAOYSA-N 1 2 394.475 3.712 20 30 GHEDLO CS(=O)(=O)c1cccc([C@@H]([NH2+]Cc2ccc(C#N)cc2F)c2ccccc2)c1 ZINC000172943109 856675547 /nfs/dbraw/zinc/67/55/47/856675547.db2.gz WIHUBVUYIKIGIZ-QFIPXVFZSA-N 1 2 394.471 3.980 20 30 GHEDLO C[C@H]1C[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CC2(CCCC2)O1 ZINC000592187160 856685254 /nfs/dbraw/zinc/68/52/54/856685254.db2.gz HTVITLMDXHSUJX-INIZCTEOSA-N 1 2 375.900 3.620 20 30 GHEDLO C[C@H]1C[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CC2(CCCC2)O1 ZINC000592187160 856685257 /nfs/dbraw/zinc/68/52/57/856685257.db2.gz HTVITLMDXHSUJX-INIZCTEOSA-N 1 2 375.900 3.620 20 30 GHEDLO COc1cccc(F)c1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000174221671 857228365 /nfs/dbraw/zinc/22/83/65/857228365.db2.gz LFYCYFCXLPFXAY-VXGBXAGGSA-N 1 2 387.480 3.934 20 30 GHEDLO C=CCN(CCc1ccccc1)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000521044858 857536259 /nfs/dbraw/zinc/53/62/59/857536259.db2.gz ALYYVUFERQCZJB-UHFFFAOYSA-N 1 2 388.515 3.914 20 30 GHEDLO N#CCOc1ccccc1C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907816024 857791316 /nfs/dbraw/zinc/79/13/16/857791316.db2.gz OZJRJTRMHWCTEP-MRXNPFEDSA-N 1 2 378.476 3.647 20 30 GHEDLO N#CCOc1ccccc1C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907816024 857791319 /nfs/dbraw/zinc/79/13/19/857791319.db2.gz OZJRJTRMHWCTEP-MRXNPFEDSA-N 1 2 378.476 3.647 20 30 GHEDLO CCOC[C@@H]1CCC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000113935487 857796174 /nfs/dbraw/zinc/79/61/74/857796174.db2.gz MPVLMQODKAZBRW-OAHLLOKOSA-N 1 2 375.538 3.576 20 30 GHEDLO CCOC[C@@H]1CCC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000113935487 857796182 /nfs/dbraw/zinc/79/61/82/857796182.db2.gz MPVLMQODKAZBRW-OAHLLOKOSA-N 1 2 375.538 3.576 20 30 GHEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 ZINC000330333326 862974155 /nfs/dbraw/zinc/97/41/55/862974155.db2.gz YHFIKZMJGIACGK-YRPNKDGESA-N 1 2 392.503 3.628 20 30 GHEDLO COC(=O)c1cccc(C[NH2+][C@H](CC(=O)OC(C)C)c2ccccc2)c1C#N ZINC000543052523 858109237 /nfs/dbraw/zinc/10/92/37/858109237.db2.gz OZNOIAXVKLQWIC-HXUWFJFHSA-N 1 2 380.444 3.517 20 30 GHEDLO COc1ccc([C@H]([NH2+]CC(=O)N[C@](C)(C#N)C2CC2)c2ccccc2Cl)cc1 ZINC000132296527 858118332 /nfs/dbraw/zinc/11/83/32/858118332.db2.gz USICJQRBXJNSAY-FCHUYYIVSA-N 1 2 397.906 3.836 20 30 GHEDLO COc1cc(C[N@@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)ccc1C#N ZINC000442796311 858139978 /nfs/dbraw/zinc/13/99/78/858139978.db2.gz CRRJWGKGMRKNJH-LJQANCHMSA-N 1 2 387.277 3.903 20 30 GHEDLO COc1cc(C[N@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)ccc1C#N ZINC000442796311 858139983 /nfs/dbraw/zinc/13/99/83/858139983.db2.gz CRRJWGKGMRKNJH-LJQANCHMSA-N 1 2 387.277 3.903 20 30 GHEDLO C=CC[N@@H+](CC(=O)Nc1cc(C)ccc1-c1n[nH]c(C)n1)Cc1cccs1 ZINC000487423985 858379193 /nfs/dbraw/zinc/37/91/93/858379193.db2.gz AVCKVYCGEHIBLZ-UHFFFAOYSA-N 1 2 381.505 3.777 20 30 GHEDLO C=CC[N@H+](CC(=O)Nc1cc(C)ccc1-c1n[nH]c(C)n1)Cc1cccs1 ZINC000487423985 858379202 /nfs/dbraw/zinc/37/92/02/858379202.db2.gz AVCKVYCGEHIBLZ-UHFFFAOYSA-N 1 2 381.505 3.777 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H](CC#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000595569989 858555749 /nfs/dbraw/zinc/55/57/49/858555749.db2.gz JEQLBIMWOOFUOR-BVGQSLNGSA-N 1 2 378.879 3.560 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)N2CCC[C@H](CC#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000595569989 858555754 /nfs/dbraw/zinc/55/57/54/858555754.db2.gz JEQLBIMWOOFUOR-BVGQSLNGSA-N 1 2 378.879 3.560 20 30 GHEDLO COc1ccc(-c2cc(C[NH+]3CCN(c4ccsc4C#N)CC3)on2)cc1 ZINC000595637755 858625967 /nfs/dbraw/zinc/62/59/67/858625967.db2.gz MIGHSOLSQATCCR-UHFFFAOYSA-N 1 2 380.473 3.606 20 30 GHEDLO N#Cc1cc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c(Cl)c([N+](=O)[O-])c1 ZINC000764303983 859366124 /nfs/dbraw/zinc/36/61/24/859366124.db2.gz SEQAXUSEPRANPR-UHFFFAOYSA-N 1 2 381.779 3.617 20 30 GHEDLO C=CC[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccncc1 ZINC000764406527 859430671 /nfs/dbraw/zinc/43/06/71/859430671.db2.gz IXABUNHMOIDQQU-ZCNNSNEGSA-N 1 2 386.446 3.722 20 30 GHEDLO C=CC[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccncc1 ZINC000764406527 859430674 /nfs/dbraw/zinc/43/06/74/859430674.db2.gz IXABUNHMOIDQQU-ZCNNSNEGSA-N 1 2 386.446 3.722 20 30 GHEDLO C#CCN(C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)C1CCCCC1 ZINC000764511885 859476970 /nfs/dbraw/zinc/47/69/70/859476970.db2.gz KFEFRAXHRCDWQS-VQTJNVASSA-N 1 2 375.463 3.688 20 30 GHEDLO C#CCN(C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)C1CCCCC1 ZINC000764511885 859476975 /nfs/dbraw/zinc/47/69/75/859476975.db2.gz KFEFRAXHRCDWQS-VQTJNVASSA-N 1 2 375.463 3.688 20 30 GHEDLO N#Cc1cc(Cl)c(C(=O)NCC[N@@H+]2CCc3sccc3C2)c(Cl)c1 ZINC000611093683 859607648 /nfs/dbraw/zinc/60/76/48/859607648.db2.gz DKENZFCENAVWAM-UHFFFAOYSA-N 1 2 380.300 3.715 20 30 GHEDLO N#Cc1cc(Cl)c(C(=O)NCC[N@H+]2CCc3sccc3C2)c(Cl)c1 ZINC000611093683 859607651 /nfs/dbraw/zinc/60/76/51/859607651.db2.gz DKENZFCENAVWAM-UHFFFAOYSA-N 1 2 380.300 3.715 20 30 GHEDLO COC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170371650 881485645 /nfs/dbraw/zinc/48/56/45/881485645.db2.gz HUFHYVRVNZIOMQ-WQMHRJNTSA-N 1 2 380.463 3.904 20 30 GHEDLO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602860480 860317354 /nfs/dbraw/zinc/31/73/54/860317354.db2.gz INIAJXOCVJKQPQ-OTWHNJEPSA-N 1 2 376.504 3.599 20 30 GHEDLO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602860480 860317360 /nfs/dbraw/zinc/31/73/60/860317360.db2.gz INIAJXOCVJKQPQ-OTWHNJEPSA-N 1 2 376.504 3.599 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](c3ccc4cccnc4n3)C2)c(C#N)c1C ZINC000602889939 860346174 /nfs/dbraw/zinc/34/61/74/860346174.db2.gz XHMCOMYDCQBAGK-YOEHRIQHSA-N 1 2 389.459 3.528 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@H](c3ccc4cccnc4n3)C2)c(C#N)c1C ZINC000602889939 860346183 /nfs/dbraw/zinc/34/61/83/860346183.db2.gz XHMCOMYDCQBAGK-YOEHRIQHSA-N 1 2 389.459 3.528 20 30 GHEDLO C#CCCOc1ccc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)cc1 ZINC000904498040 860491227 /nfs/dbraw/zinc/49/12/27/860491227.db2.gz RVEOQLOSTBTTQL-UHFFFAOYSA-N 1 2 389.455 3.638 20 30 GHEDLO N#Cc1ccc(-n2c(=O)c3ccccc3nc2SCCCn2cc[nH+]c2)cc1 ZINC000185504170 860869421 /nfs/dbraw/zinc/86/94/21/860869421.db2.gz KPGJKYGYXMMEHY-UHFFFAOYSA-N 1 2 387.468 3.636 20 30 GHEDLO N#Cc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)ccc1OCC(F)(F)F ZINC000603672979 861005673 /nfs/dbraw/zinc/00/56/73/861005673.db2.gz ASOHTAJOIHGWNR-UHFFFAOYSA-N 1 2 386.333 3.937 20 30 GHEDLO O=C(C[NH+]1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1)Nc1cc(F)cc(F)c1 ZINC000329103976 861021279 /nfs/dbraw/zinc/02/12/79/861021279.db2.gz GJHJLCLTAFRDDL-GOSISDBHSA-N 1 2 391.462 3.667 20 30 GHEDLO CN(C)C(=O)N1CCC(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)CC1 ZINC000329115361 861032904 /nfs/dbraw/zinc/03/29/04/861032904.db2.gz STTYXOJLRDGKDS-UHFFFAOYSA-N 1 2 395.507 3.868 20 30 GHEDLO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000522724584 863147057 /nfs/dbraw/zinc/14/70/57/863147057.db2.gz ZNHBPTLJMZQOAR-UHFFFAOYSA-N 1 2 395.850 3.686 20 30 GHEDLO C=CC[N@@H+](CC(=O)Nc1sc2c(c1C(=O)OC)CCC2)Cc1ccccc1 ZINC000027775691 863225573 /nfs/dbraw/zinc/22/55/73/863225573.db2.gz XYPBFIFOGHHABD-UHFFFAOYSA-N 1 2 384.501 3.650 20 30 GHEDLO C=CC[N@H+](CC(=O)Nc1sc2c(c1C(=O)OC)CCC2)Cc1ccccc1 ZINC000027775691 863225591 /nfs/dbraw/zinc/22/55/91/863225591.db2.gz XYPBFIFOGHHABD-UHFFFAOYSA-N 1 2 384.501 3.650 20 30 GHEDLO C#CC[C@H](NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000281756810 863362901 /nfs/dbraw/zinc/36/29/01/863362901.db2.gz CHQJQRWKMNHXPD-FPOVZHCZSA-N 1 2 376.504 3.873 20 30 GHEDLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000593931427 863404896 /nfs/dbraw/zinc/40/48/96/863404896.db2.gz DTZBRLYRZLMXDZ-MRXNPFEDSA-N 1 2 383.517 3.599 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3Cc4ccc(C#N)cc4C3)n2)C1 ZINC000594058782 863939767 /nfs/dbraw/zinc/93/97/67/863939767.db2.gz STFOTJXUDRCQSJ-CQSZACIVSA-N 1 2 381.505 3.794 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3Cc4ccc(C#N)cc4C3)n2)C1 ZINC000594058782 863939770 /nfs/dbraw/zinc/93/97/70/863939770.db2.gz STFOTJXUDRCQSJ-CQSZACIVSA-N 1 2 381.505 3.794 20 30 GHEDLO C#CCOc1ccccc1CNC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000734161866 864039903 /nfs/dbraw/zinc/03/99/03/864039903.db2.gz RXZXKTTXDRKNGR-INIZCTEOSA-N 1 2 398.532 3.709 20 30 GHEDLO C#CCOc1ccccc1CNC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000734161866 864039916 /nfs/dbraw/zinc/03/99/16/864039916.db2.gz RXZXKTTXDRKNGR-INIZCTEOSA-N 1 2 398.532 3.709 20 30 GHEDLO CCn1cncc1C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000897055558 864372482 /nfs/dbraw/zinc/37/24/82/864372482.db2.gz QMOQRYYTBRUWPM-AOOOYVTPSA-N 1 2 377.279 3.506 20 30 GHEDLO CCn1cncc1C[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000897055558 864372492 /nfs/dbraw/zinc/37/24/92/864372492.db2.gz QMOQRYYTBRUWPM-AOOOYVTPSA-N 1 2 377.279 3.506 20 30 GHEDLO C=CC[N@@H+](CC(=O)NCc1cccc(OC(C)C)c1)Cc1cccc(C#N)c1 ZINC000063299961 864502219 /nfs/dbraw/zinc/50/22/19/864502219.db2.gz BHTAUOQNAOLWKY-UHFFFAOYSA-N 1 2 377.488 3.650 20 30 GHEDLO C=CC[N@H+](CC(=O)NCc1cccc(OC(C)C)c1)Cc1cccc(C#N)c1 ZINC000063299961 864502228 /nfs/dbraw/zinc/50/22/28/864502228.db2.gz BHTAUOQNAOLWKY-UHFFFAOYSA-N 1 2 377.488 3.650 20 30 GHEDLO CC(C)(CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)n1cc[nH+]c1 ZINC000898909454 864866958 /nfs/dbraw/zinc/86/69/58/864866958.db2.gz PXWYVLLRFZKHJS-UHFFFAOYSA-N 1 2 399.926 3.566 20 30 GHEDLO CCc1ccc([C@@H](COC)[NH2+][C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)o1 ZINC000184796111 864945676 /nfs/dbraw/zinc/94/56/76/864945676.db2.gz HFXSLSABWSIOMT-SJKOYZFVSA-N 1 2 375.856 3.671 20 30 GHEDLO CSc1ccc(CN2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])cc1 ZINC000920183251 881868480 /nfs/dbraw/zinc/86/84/80/881868480.db2.gz HJYZWNISZKDCPE-UHFFFAOYSA-N 1 2 378.501 3.568 20 30 GHEDLO N#Cc1ccc(C2(NC(=O)NCc3cc[nH+]c(N4CCCCC4)c3)CCC2)cc1 ZINC000594212289 865393919 /nfs/dbraw/zinc/39/39/19/865393919.db2.gz XFIVJWIGHPXGOS-UHFFFAOYSA-N 1 2 389.503 3.822 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@H]3OCc4cc(Cl)ccc43)CC2)cc1 ZINC000594212575 865395098 /nfs/dbraw/zinc/39/50/98/865395098.db2.gz ZRPWJPDNKNBOPW-OAQYLSRUSA-N 1 2 395.890 3.517 20 30 GHEDLO C=CCn1c(-c2ccccc2OC)nn(C[N@H+](CC)C[C@H]2CCOC2)c1=S ZINC000738081430 865483021 /nfs/dbraw/zinc/48/30/21/865483021.db2.gz KRRYTTLFHGPJMT-MRXNPFEDSA-N 1 2 388.537 3.592 20 30 GHEDLO C=CCn1c(-c2ccccc2OC)nn(C[N@@H+](CC)C[C@H]2CCOC2)c1=S ZINC000738081430 865483029 /nfs/dbraw/zinc/48/30/29/865483029.db2.gz KRRYTTLFHGPJMT-MRXNPFEDSA-N 1 2 388.537 3.592 20 30 GHEDLO C[C@@H]1c2c(F)cccc2CC[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000738342993 865524102 /nfs/dbraw/zinc/52/41/02/865524102.db2.gz XBDLDCVFOJSGNT-PBHICJAKSA-N 1 2 386.430 3.982 20 30 GHEDLO C[C@@H]1c2c(F)cccc2CC[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000738342993 865524109 /nfs/dbraw/zinc/52/41/09/865524109.db2.gz XBDLDCVFOJSGNT-PBHICJAKSA-N 1 2 386.430 3.982 20 30 GHEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000155312163 865650735 /nfs/dbraw/zinc/65/07/35/865650735.db2.gz OGDFRSVJKNWUIC-AWEZNQCLSA-N 1 2 386.546 3.773 20 30 GHEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000155312163 865650744 /nfs/dbraw/zinc/65/07/44/865650744.db2.gz OGDFRSVJKNWUIC-AWEZNQCLSA-N 1 2 386.546 3.773 20 30 GHEDLO C=CCn1c([C@@H]2COc3ccccc3O2)nn(C[N@@H+]2C[C@H](C)C[C@@H]2C)c1=S ZINC000740861575 866047473 /nfs/dbraw/zinc/04/74/73/866047473.db2.gz PFDDXGXHSYEJOH-VKJFTORMSA-N 1 2 386.521 3.800 20 30 GHEDLO C=CCn1c([C@@H]2COc3ccccc3O2)nn(C[N@H+]2C[C@H](C)C[C@@H]2C)c1=S ZINC000740861575 866047485 /nfs/dbraw/zinc/04/74/85/866047485.db2.gz PFDDXGXHSYEJOH-VKJFTORMSA-N 1 2 386.521 3.800 20 30 GHEDLO N#CCCN(C(=O)C[N@@H+](Cc1cccs1)C[C@H]1CCCO1)c1ccccc1 ZINC000020954462 866481444 /nfs/dbraw/zinc/48/14/44/866481444.db2.gz FEMMPVULLCNUOC-LJQANCHMSA-N 1 2 383.517 3.676 20 30 GHEDLO N#CCCN(C(=O)C[N@H+](Cc1cccs1)C[C@H]1CCCO1)c1ccccc1 ZINC000020954462 866481459 /nfs/dbraw/zinc/48/14/59/866481459.db2.gz FEMMPVULLCNUOC-LJQANCHMSA-N 1 2 383.517 3.676 20 30 GHEDLO C#CC[N@@H+](CC(=O)Nc1ccnn1Cc1cccs1)[C@H]1CCc2ccccc21 ZINC000741776535 866780088 /nfs/dbraw/zinc/78/00/88/866780088.db2.gz LHYZYAHDTLZSNK-FQEVSTJZSA-N 1 2 390.512 3.554 20 30 GHEDLO C#CC[N@H+](CC(=O)Nc1ccnn1Cc1cccs1)[C@H]1CCc2ccccc21 ZINC000741776535 866780102 /nfs/dbraw/zinc/78/01/02/866780102.db2.gz LHYZYAHDTLZSNK-FQEVSTJZSA-N 1 2 390.512 3.554 20 30 GHEDLO C=CC[C@H]1[N@H+](Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[nH]2)CCCC1(C)C ZINC000444777141 867220537 /nfs/dbraw/zinc/22/05/37/867220537.db2.gz DSVDMEJDAILXBY-CYBMUJFWSA-N 1 2 389.521 3.646 20 30 GHEDLO C=CC[C@H]1[N@@H+](Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[nH]2)CCCC1(C)C ZINC000444777141 867220550 /nfs/dbraw/zinc/22/05/50/867220550.db2.gz DSVDMEJDAILXBY-CYBMUJFWSA-N 1 2 389.521 3.646 20 30 GHEDLO CC(C)C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1cc(C#N)ccn1 ZINC000553973358 868545315 /nfs/dbraw/zinc/54/53/15/868545315.db2.gz TZMPJOYZKNUIQT-HXUWFJFHSA-N 1 2 396.922 3.979 20 30 GHEDLO CC(C)C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1cc(C#N)ccn1 ZINC000553973358 868545324 /nfs/dbraw/zinc/54/53/24/868545324.db2.gz TZMPJOYZKNUIQT-HXUWFJFHSA-N 1 2 396.922 3.979 20 30 GHEDLO CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccc(C[NH+](CC)CC)cc2)n1 ZINC000554006253 868591051 /nfs/dbraw/zinc/59/10/51/868591051.db2.gz GEBUGIZSPJKEFF-INIZCTEOSA-N 1 2 385.489 3.652 20 30 GHEDLO N#Cc1cc(NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)ccc1OC(F)(F)F ZINC000442934556 869111453 /nfs/dbraw/zinc/11/14/53/869111453.db2.gz IOTFKIIBOLJRPB-INIZCTEOSA-N 1 2 375.350 3.670 20 30 GHEDLO N#Cc1cc(NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)ccc1OC(F)(F)F ZINC000442934556 869111458 /nfs/dbraw/zinc/11/14/58/869111458.db2.gz IOTFKIIBOLJRPB-INIZCTEOSA-N 1 2 375.350 3.670 20 30 GHEDLO CC(C)c1cccc(S(=O)(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000462452709 869465674 /nfs/dbraw/zinc/46/56/74/869465674.db2.gz RQVJLJNXNBLXOE-UHFFFAOYSA-N 1 2 397.544 3.578 20 30 GHEDLO CC(C)c1cccc(S(=O)(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000462452709 869465679 /nfs/dbraw/zinc/46/56/79/869465679.db2.gz RQVJLJNXNBLXOE-UHFFFAOYSA-N 1 2 397.544 3.578 20 30 GHEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000739912554 871629514 /nfs/dbraw/zinc/62/95/14/871629514.db2.gz NHAASROHLWFJEP-JOCHJYFZSA-N 1 2 388.471 3.727 20 30 GHEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000739912554 871629522 /nfs/dbraw/zinc/62/95/22/871629522.db2.gz NHAASROHLWFJEP-JOCHJYFZSA-N 1 2 388.471 3.727 20 30 GHEDLO N#Cc1cc(N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)ncn1 ZINC000525888186 871631835 /nfs/dbraw/zinc/63/18/35/871631835.db2.gz XFXPVZSTKOIJCC-UHFFFAOYSA-N 1 2 391.425 3.538 20 30 GHEDLO COc1ccc([C@H]2CCC[N@@H+]2Cc2nnc(-c3cccc(C#N)c3)o2)cc1OC ZINC000441271212 871632229 /nfs/dbraw/zinc/63/22/29/871632229.db2.gz XPUQCWOZAIZZSM-GOSISDBHSA-N 1 2 390.443 3.963 20 30 GHEDLO COc1ccc([C@H]2CCC[N@H+]2Cc2nnc(-c3cccc(C#N)c3)o2)cc1OC ZINC000441271212 871632234 /nfs/dbraw/zinc/63/22/34/871632234.db2.gz XPUQCWOZAIZZSM-GOSISDBHSA-N 1 2 390.443 3.963 20 30 GHEDLO O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(C#CBr)cc1 ZINC001194806045 871961484 /nfs/dbraw/zinc/96/14/84/871961484.db2.gz JIIWQWLRXHERRR-UHFFFAOYSA-N 1 2 380.245 3.888 20 30 GHEDLO C=CC[N@H+](Cc1cnc(C(F)(F)F)s1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000447737395 872226686 /nfs/dbraw/zinc/22/66/86/872226686.db2.gz ROPSIMYCYJLRMO-GFCCVEGCSA-N 1 2 394.426 3.887 20 30 GHEDLO C=CC[N@@H+](Cc1cnc(C(F)(F)F)s1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000447737395 872226702 /nfs/dbraw/zinc/22/67/02/872226702.db2.gz ROPSIMYCYJLRMO-GFCCVEGCSA-N 1 2 394.426 3.887 20 30 GHEDLO Cc1cccc(C(C)C)c1NC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000022781836 872304640 /nfs/dbraw/zinc/30/46/40/872304640.db2.gz XGBDUVYYRYRDNE-UHFFFAOYSA-N 1 2 390.531 3.746 20 30 GHEDLO COc1ccc(Cl)c2c1CCC[C@@H]2[N@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC001195728045 872579814 /nfs/dbraw/zinc/57/98/14/872579814.db2.gz AGBYFPCBACYMLX-IBGZPJMESA-N 1 2 397.906 3.846 20 30 GHEDLO COc1ccc(Cl)c2c1CCC[C@@H]2[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC001195728045 872579820 /nfs/dbraw/zinc/57/98/20/872579820.db2.gz AGBYFPCBACYMLX-IBGZPJMESA-N 1 2 397.906 3.846 20 30 GHEDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000619424716 872639739 /nfs/dbraw/zinc/63/97/39/872639739.db2.gz CKNYXMVRCZFHFI-UHFFFAOYSA-N 1 2 391.515 3.763 20 30 GHEDLO N#Cc1ccc(CNC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1Cl ZINC000619768586 873004115 /nfs/dbraw/zinc/00/41/15/873004115.db2.gz AROWAYNPUPSGCM-QGZVFWFLSA-N 1 2 397.910 3.834 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)s1 ZINC000769315267 873960922 /nfs/dbraw/zinc/96/09/22/873960922.db2.gz JNEHYZXTFYJFLE-UHFFFAOYSA-N 1 2 396.394 3.869 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(c2ncccn2)CC1 ZINC001197946557 874135619 /nfs/dbraw/zinc/13/56/19/874135619.db2.gz CMEMYOFZTVPIIN-INIZCTEOSA-N 1 2 395.532 3.546 20 30 GHEDLO CC(C)(C)OC(=O)NCc1ccc(C(N)=[NH+]OCc2ccc(C#N)cc2F)cc1 ZINC000769842275 874320625 /nfs/dbraw/zinc/32/06/25/874320625.db2.gz LRNCHMMJCUAIFQ-UHFFFAOYSA-N 1 2 398.438 3.559 20 30 GHEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000769900013 874329950 /nfs/dbraw/zinc/32/99/50/874329950.db2.gz OPRHDKXJPKLXQM-NYHWHJDASA-N 1 2 396.453 3.502 20 30 GHEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000769900013 874329962 /nfs/dbraw/zinc/32/99/62/874329962.db2.gz OPRHDKXJPKLXQM-NYHWHJDASA-N 1 2 396.453 3.502 20 30 GHEDLO C[C@H](C#N)CNC(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000541945838 874576472 /nfs/dbraw/zinc/57/64/72/874576472.db2.gz XTEPOLJRMXDAQM-DYESRHJHSA-N 1 2 396.922 3.916 20 30 GHEDLO COc1cccc([C@@H]2C[N@H+](CC(=O)Nc3oc(C)c(C)c3C#N)CC2(C)C)c1 ZINC000528618280 874802228 /nfs/dbraw/zinc/80/22/28/874802228.db2.gz FCJMGNYVKLNUTF-IBGZPJMESA-N 1 2 381.476 3.841 20 30 GHEDLO COc1cccc([C@@H]2C[N@@H+](CC(=O)Nc3oc(C)c(C)c3C#N)CC2(C)C)c1 ZINC000528618280 874802240 /nfs/dbraw/zinc/80/22/40/874802240.db2.gz FCJMGNYVKLNUTF-IBGZPJMESA-N 1 2 381.476 3.841 20 30 GHEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000804457606 882871943 /nfs/dbraw/zinc/87/19/43/882871943.db2.gz AZXARGJFRWSNSQ-FCHUYYIVSA-N 1 2 378.541 3.527 20 30 GHEDLO Cc1ccc(C[N@H+](CCO)CC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 ZINC000542131984 875026442 /nfs/dbraw/zinc/02/64/42/875026442.db2.gz FGQJBWCGERAMFR-UHFFFAOYSA-N 1 2 397.544 3.630 20 30 GHEDLO Cc1ccc(C[N@@H+](CCO)CC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 ZINC000542131984 875026444 /nfs/dbraw/zinc/02/64/44/875026444.db2.gz FGQJBWCGERAMFR-UHFFFAOYSA-N 1 2 397.544 3.630 20 30 GHEDLO Cc1ccccc1Cc1nnc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)o1 ZINC000528778143 875050934 /nfs/dbraw/zinc/05/09/34/875050934.db2.gz FZLJNEQLUGPJCZ-UHFFFAOYSA-N 1 2 388.471 3.636 20 30 GHEDLO CSc1ccc(/C=C\C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000858154215 882892561 /nfs/dbraw/zinc/89/25/61/882892561.db2.gz AMQFHNNWJHGWNM-VURMDHGXSA-N 1 2 383.542 3.699 20 30 GHEDLO C[N@@H+]1CCO[C@H]([C@H](Nc2cccc(C#N)c2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000450403592 876383474 /nfs/dbraw/zinc/38/34/74/876383474.db2.gz BMKUUDUEJHMFPC-ZWKOTPCHSA-N 1 2 386.839 3.604 20 30 GHEDLO C[N@H+]1CCO[C@H]([C@H](Nc2cccc(C#N)c2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000450403592 876383486 /nfs/dbraw/zinc/38/34/86/876383486.db2.gz BMKUUDUEJHMFPC-ZWKOTPCHSA-N 1 2 386.839 3.604 20 30 GHEDLO Cc1ccc(Br)cc1C[N@@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000450618962 876692377 /nfs/dbraw/zinc/69/23/77/876692377.db2.gz VXONEWUWTPWLPG-YWZLYKJASA-N 1 2 396.288 3.603 20 30 GHEDLO Cc1ccc(Br)cc1C[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000450618962 876692382 /nfs/dbraw/zinc/69/23/82/876692382.db2.gz VXONEWUWTPWLPG-YWZLYKJASA-N 1 2 396.288 3.603 20 30 GHEDLO Cc1ccccc1O[C@H](C)C(=O)N1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000609915650 877181210 /nfs/dbraw/zinc/18/12/10/877181210.db2.gz IPZVUFJWAOESGL-RBUKOAKNSA-N 1 2 377.488 3.539 20 30 GHEDLO CC[C@H]1C[N@H+](Cc2cc(C#N)ccc2Br)[C@@H](CC)CN1C(C)=O ZINC000492655597 877259591 /nfs/dbraw/zinc/25/95/91/877259591.db2.gz PBDPBSJIFKMEJA-IRXDYDNUSA-N 1 2 378.314 3.542 20 30 GHEDLO CC[C@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)[C@@H](CC)CN1C(C)=O ZINC000492655597 877259599 /nfs/dbraw/zinc/25/95/99/877259599.db2.gz PBDPBSJIFKMEJA-IRXDYDNUSA-N 1 2 378.314 3.542 20 30 GHEDLO CCC1(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC(F)(F)CC1 ZINC000596658745 877321401 /nfs/dbraw/zinc/32/14/01/877321401.db2.gz NDEKOKGYNVTLRH-UHFFFAOYSA-N 1 2 375.463 3.808 20 30 GHEDLO N#Cc1cccc(COc2cccc(C[N@H+]3CCOC[C@@H]3[C@H]3CCCC3=O)c2)c1 ZINC000530389127 877684984 /nfs/dbraw/zinc/68/49/84/877684984.db2.gz STUJBLLDEGSEEQ-DHIUTWEWSA-N 1 2 390.483 3.707 20 30 GHEDLO N#Cc1cccc(COc2cccc(C[N@@H+]3CCOC[C@@H]3[C@H]3CCCC3=O)c2)c1 ZINC000530389127 877684993 /nfs/dbraw/zinc/68/49/93/877684993.db2.gz STUJBLLDEGSEEQ-DHIUTWEWSA-N 1 2 390.483 3.707 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[N@H+](CCc2ccc(C#N)cc2)[C@H](c2cccnc2)C1 ZINC000852014443 878032999 /nfs/dbraw/zinc/03/29/99/878032999.db2.gz CNOCDXRHPSDNLM-NRFANRHFSA-N 1 2 392.503 3.790 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[N@@H+](CCc2ccc(C#N)cc2)[C@H](c2cccnc2)C1 ZINC000852014443 878033015 /nfs/dbraw/zinc/03/30/15/878033015.db2.gz CNOCDXRHPSDNLM-NRFANRHFSA-N 1 2 392.503 3.790 20 30 GHEDLO Cc1cc(C(=O)C[N@@H+]2CCC[C@H](CC#N)C2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000852320063 878236212 /nfs/dbraw/zinc/23/62/12/878236212.db2.gz VPXYQIOWEDSQMZ-GOSISDBHSA-N 1 2 393.487 3.674 20 30 GHEDLO Cc1cc(C(=O)C[N@H+]2CCC[C@H](CC#N)C2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000852320063 878236230 /nfs/dbraw/zinc/23/62/30/878236230.db2.gz VPXYQIOWEDSQMZ-GOSISDBHSA-N 1 2 393.487 3.674 20 30 GHEDLO CCO[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000122614720 878456715 /nfs/dbraw/zinc/45/67/15/878456715.db2.gz VVIWRBFWXKOJSN-LSDHHAIUSA-N 1 2 375.538 3.717 20 30 GHEDLO CCO[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000122614720 878456719 /nfs/dbraw/zinc/45/67/19/878456719.db2.gz VVIWRBFWXKOJSN-LSDHHAIUSA-N 1 2 375.538 3.717 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[C@H]4CCCC[C@@H]4C3)CC2)cc1 ZINC000616173385 878629637 /nfs/dbraw/zinc/62/96/37/878629637.db2.gz VESUJTOTHQZAHP-YPAWHYETSA-N 1 2 380.536 3.744 20 30 GHEDLO OC1CCN(c2ccc(C=[NH+]Nc3ccc(F)cc3Br)cc2)CC1 ZINC000853286342 878951733 /nfs/dbraw/zinc/95/17/33/878951733.db2.gz HFYIRZIHILZPHJ-UHFFFAOYSA-N 1 2 392.272 3.995 20 30 GHEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(-c3ccccc3OC)cc2)n1 ZINC000789762013 879241938 /nfs/dbraw/zinc/24/19/38/879241938.db2.gz PLZYMRWDNBEFOZ-UHFFFAOYSA-N 1 2 389.499 3.841 20 30 GHEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(-c3ccccc3OC)cc2)n1 ZINC000789762013 879241953 /nfs/dbraw/zinc/24/19/53/879241953.db2.gz PLZYMRWDNBEFOZ-UHFFFAOYSA-N 1 2 389.499 3.841 20 30 GHEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000617038018 879336549 /nfs/dbraw/zinc/33/65/49/879336549.db2.gz UGNMYPBFONOFHX-YLJYHZDGSA-N 1 2 380.492 3.777 20 30 GHEDLO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1c(F)cncc1F ZINC000285859624 912474477 /nfs/dbraw/zinc/47/44/77/912474477.db2.gz XMIIWRXCXKLAAC-GFCCVEGCSA-N 1 2 378.810 3.611 20 30 GHEDLO Cc1noc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2sc3c(c2C#N)CCCCC3)n1 ZINC000285889461 912488828 /nfs/dbraw/zinc/48/88/28/912488828.db2.gz ZYTIFKBEQJTHRF-INIZCTEOSA-N 1 2 399.520 3.746 20 30 GHEDLO Cc1noc([C@@H]2CCC[N@H+]2CCC(=O)Nc2sc3c(c2C#N)CCCCC3)n1 ZINC000285889461 912488836 /nfs/dbraw/zinc/48/88/36/912488836.db2.gz ZYTIFKBEQJTHRF-INIZCTEOSA-N 1 2 399.520 3.746 20 30 GHEDLO C=CC[C@@]1(C(=O)OCc2cc[nH+]c(N(C)C)c2)CCCN1C(=O)OC(C)(C)C ZINC000791714712 880644011 /nfs/dbraw/zinc/64/40/11/880644011.db2.gz AVXZAALWDFKMSW-NRFANRHFSA-N 1 2 389.496 3.537 20 30 GHEDLO C[C@]1(C2CCCC2)CC(=O)N(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)C1 ZINC000795712903 912639590 /nfs/dbraw/zinc/63/95/90/912639590.db2.gz CJKBGSSBNMOSKJ-QHCPKHFHSA-N 1 2 399.510 3.927 20 30 GHEDLO COCCOc1cc2c(cc1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1)OCO2 ZINC000537625389 881217700 /nfs/dbraw/zinc/21/77/00/881217700.db2.gz DBZWBRMQCABEOT-WOJBJXKFSA-N 1 2 394.471 3.712 20 30 GHEDLO COCCOc1cc2c(cc1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1)OCO2 ZINC000537625389 881217709 /nfs/dbraw/zinc/21/77/09/881217709.db2.gz DBZWBRMQCABEOT-WOJBJXKFSA-N 1 2 394.471 3.712 20 30 GHEDLO N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)cn2)cc1 ZINC000609553831 883366876 /nfs/dbraw/zinc/36/68/76/883366876.db2.gz KWUAKKSAZVYXIH-GOSISDBHSA-N 1 2 388.431 3.811 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000533928034 883801708 /nfs/dbraw/zinc/80/17/08/883801708.db2.gz LIWNTGSZWBBTAY-KRWDZBQOSA-N 1 2 390.270 3.957 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000533928034 883801726 /nfs/dbraw/zinc/80/17/26/883801726.db2.gz LIWNTGSZWBBTAY-KRWDZBQOSA-N 1 2 390.270 3.957 20 30 GHEDLO Cc1ccccc1N1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000026470975 884261779 /nfs/dbraw/zinc/26/17/79/884261779.db2.gz CSCKLIXLVWPJAQ-IBGZPJMESA-N 1 2 394.494 3.592 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)NCc1ccc(OC(F)F)cc1 ZINC001183839123 912842464 /nfs/dbraw/zinc/84/24/64/912842464.db2.gz QKTBYTQKVCKKJI-HXUWFJFHSA-N 1 2 399.441 3.831 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(OC(F)F)cc1 ZINC001183839123 912842484 /nfs/dbraw/zinc/84/24/84/912842484.db2.gz QKTBYTQKVCKKJI-HXUWFJFHSA-N 1 2 399.441 3.831 20 30 GHEDLO CC(C)(NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N)c1ccc(C#N)cc1 ZINC001183838871 912842632 /nfs/dbraw/zinc/84/26/32/912842632.db2.gz NFHJMRFIVYEXOF-QFIPXVFZSA-N 1 2 386.499 3.836 20 30 GHEDLO CC(C)(NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N)c1ccc(C#N)cc1 ZINC001183838871 912842637 /nfs/dbraw/zinc/84/26/37/912842637.db2.gz NFHJMRFIVYEXOF-QFIPXVFZSA-N 1 2 386.499 3.836 20 30 GHEDLO Cc1ccc(C#N)cc1NC(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000102954191 884652695 /nfs/dbraw/zinc/65/26/95/884652695.db2.gz HBTMUIVJZAHKPA-LJQANCHMSA-N 1 2 392.503 3.622 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@@H]3c3cccc(Cl)c3)CC2)cc1 ZINC000498582112 884930034 /nfs/dbraw/zinc/93/00/34/884930034.db2.gz CXYGFRWQFMWBSE-NHCUHLMSSA-N 1 2 379.891 3.660 20 30 GHEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000537528203 885010325 /nfs/dbraw/zinc/01/03/25/885010325.db2.gz QLQVMSGJKIYFDP-DMAKZNTKSA-N 1 2 381.442 3.855 20 30 GHEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000537528203 885010341 /nfs/dbraw/zinc/01/03/41/885010341.db2.gz QLQVMSGJKIYFDP-DMAKZNTKSA-N 1 2 381.442 3.855 20 30 GHEDLO C#Cc1cncc(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000806825988 885039526 /nfs/dbraw/zinc/03/95/26/885039526.db2.gz ZEUPQTHPMKXWRF-UHFFFAOYSA-N 1 2 388.298 3.764 20 30 GHEDLO CCOc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104714097 885574052 /nfs/dbraw/zinc/57/40/52/885574052.db2.gz MGOQTAORMXAFBX-KRWDZBQOSA-N 1 2 393.487 3.827 20 30 GHEDLO COCC[N@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1ccc(C#N)cc1 ZINC000532524198 885885580 /nfs/dbraw/zinc/88/55/80/885885580.db2.gz ZCUCOPBWKBRAOR-UHFFFAOYSA-N 1 2 392.286 3.952 20 30 GHEDLO COCC[N@@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1ccc(C#N)cc1 ZINC000532524198 885885585 /nfs/dbraw/zinc/88/55/85/885885585.db2.gz ZCUCOPBWKBRAOR-UHFFFAOYSA-N 1 2 392.286 3.952 20 30 GHEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2nnc(-c3ccccc3)s2)CC1 ZINC000155109198 886599649 /nfs/dbraw/zinc/59/96/49/886599649.db2.gz WEOVREBAJFYYTE-UHFFFAOYSA-N 1 2 375.501 3.789 20 30 GHEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2nnc(-c3ccccc3)s2)CC1 ZINC000155109198 886599657 /nfs/dbraw/zinc/59/96/57/886599657.db2.gz WEOVREBAJFYYTE-UHFFFAOYSA-N 1 2 375.501 3.789 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC3(C2)Oc2ccccc2O3)cc1 ZINC000808792701 886787646 /nfs/dbraw/zinc/78/76/46/886787646.db2.gz MURMVSDFBKGGJS-GOSISDBHSA-N 1 2 391.471 3.504 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC3(C2)Oc2ccccc2O3)cc1 ZINC000808792701 886787650 /nfs/dbraw/zinc/78/76/50/886787650.db2.gz MURMVSDFBKGGJS-GOSISDBHSA-N 1 2 391.471 3.504 20 30 GHEDLO O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000130134249 887395794 /nfs/dbraw/zinc/39/57/94/887395794.db2.gz OXJYXYRLLQYLHI-JOCHJYFZSA-N 1 2 384.439 3.562 20 30 GHEDLO CC(N=Nc1ncnc2c1cnn2-c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000915963506 888602410 /nfs/dbraw/zinc/60/24/10/888602410.db2.gz BAWSYVYTGACHIF-UHFFFAOYSA-N 1 2 394.442 3.837 20 30 GHEDLO N#C[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1cccc(Br)c1 ZINC000496263989 888657798 /nfs/dbraw/zinc/65/77/98/888657798.db2.gz QISMCLRTDWMULO-GOSISDBHSA-N 1 2 395.260 3.689 20 30 GHEDLO N#Cc1cc(C(=O)O[C@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)c[nH]1 ZINC000810883747 888952768 /nfs/dbraw/zinc/95/27/68/888952768.db2.gz ZITPJNKUZUMUID-MRXNPFEDSA-N 1 2 375.215 3.988 20 30 GHEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000810994730 889085665 /nfs/dbraw/zinc/08/56/65/889085665.db2.gz QOEGJKLLJHVANO-SIKLNZKXSA-N 1 2 386.417 3.579 20 30 GHEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000810994730 889085678 /nfs/dbraw/zinc/08/56/78/889085678.db2.gz QOEGJKLLJHVANO-SIKLNZKXSA-N 1 2 386.417 3.579 20 30 GHEDLO CN(C)c1ncc(C=[NH+]Nc2ccc(Br)cc2C(F)(F)F)n1C ZINC000811642141 889838134 /nfs/dbraw/zinc/83/81/34/889838134.db2.gz GUWDBSQUISVOGP-UHFFFAOYSA-N 1 2 390.207 3.713 20 30 GHEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)Cc1cc(OC)c(OC)cc1SC ZINC000533431194 890547127 /nfs/dbraw/zinc/54/71/27/890547127.db2.gz OYXASAXIEPMSQW-OAHLLOKOSA-N 1 2 380.554 3.671 20 30 GHEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)Cc1cc(OC)c(OC)cc1SC ZINC000533431194 890547141 /nfs/dbraw/zinc/54/71/41/890547141.db2.gz OYXASAXIEPMSQW-OAHLLOKOSA-N 1 2 380.554 3.671 20 30 GHEDLO S=C1N=NC(c2cccc(Cl)c2)N1N=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000917027990 890760402 /nfs/dbraw/zinc/76/04/02/890760402.db2.gz KSLDUKRLLXWRSF-UHFFFAOYSA-N 1 2 380.864 3.955 20 30 GHEDLO C#C[C@H](NC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccc(F)cc1 ZINC000812924380 891129195 /nfs/dbraw/zinc/12/91/95/891129195.db2.gz KGDWNFQKMFPSKX-FIKGOQFSSA-N 1 2 395.478 3.931 20 30 GHEDLO C#C[C@H](NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(F)cc1 ZINC000812937212 891147825 /nfs/dbraw/zinc/14/78/25/891147825.db2.gz VIGVXBASEDNMTA-PXNSSMCTSA-N 1 2 380.467 3.622 20 30 GHEDLO C=C(Br)CNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000812969533 891170778 /nfs/dbraw/zinc/17/07/78/891170778.db2.gz DDEOMIDYIWFIEJ-UHFFFAOYSA-N 1 2 375.270 3.917 20 30 GHEDLO C#CC[N@@H+](CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000917119619 891303176 /nfs/dbraw/zinc/30/31/76/891303176.db2.gz PFARXXPHEDOLGQ-FQEVSTJZSA-N 1 2 393.443 3.555 20 30 GHEDLO C#CC[N@H+](CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000917119619 891303189 /nfs/dbraw/zinc/30/31/89/891303189.db2.gz PFARXXPHEDOLGQ-FQEVSTJZSA-N 1 2 393.443 3.555 20 30 GHEDLO C=C(C)COc1cc(C[N@@H+]2CCC[C@@H]2C(=O)NCc2ccco2)ccc1OC ZINC000128270197 891541566 /nfs/dbraw/zinc/54/15/66/891541566.db2.gz FNEZOIBQJHJBQK-LJQANCHMSA-N 1 2 384.476 3.524 20 30 GHEDLO C=C(C)COc1cc(C[N@H+]2CCC[C@@H]2C(=O)NCc2ccco2)ccc1OC ZINC000128270197 891541575 /nfs/dbraw/zinc/54/15/75/891541575.db2.gz FNEZOIBQJHJBQK-LJQANCHMSA-N 1 2 384.476 3.524 20 30 GHEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)NC2(CCC(CC)CC2)C1=O ZINC000917457276 892029401 /nfs/dbraw/zinc/02/94/01/892029401.db2.gz FBCNVBOINCFRJO-UHFFFAOYSA-N 1 2 382.508 3.619 20 30 GHEDLO CCC[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)NC2(CCC(CC)CC2)C1=O ZINC000917457276 892029417 /nfs/dbraw/zinc/02/94/17/892029417.db2.gz FBCNVBOINCFRJO-UHFFFAOYSA-N 1 2 382.508 3.619 20 30 GHEDLO C=CCN(CCc1ccco1)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000272469389 892908564 /nfs/dbraw/zinc/90/85/64/892908564.db2.gz RPOQCEAXVKQQGP-SFHVURJKSA-N 1 2 383.492 3.935 20 30 GHEDLO C#CCOc1cccc(Cl)c1C[NH2+]Cc1ccc(OC)c(OC)c1OC ZINC000778157940 892965743 /nfs/dbraw/zinc/96/57/43/892965743.db2.gz GNNWTANABGNZTL-UHFFFAOYSA-N 1 2 375.852 3.668 20 30 GHEDLO C#CCOc1cccc(Cl)c1C[NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000778163925 892991181 /nfs/dbraw/zinc/99/11/81/892991181.db2.gz JLYSECQWZXANES-GOSISDBHSA-N 1 2 398.934 3.863 20 30 GHEDLO Cn1c(N)nc(Cl)c1C=[NH+]Nc1ccc(Br)cc1C(F)(F)F ZINC000814843744 893232901 /nfs/dbraw/zinc/23/29/01/893232901.db2.gz MZUMPBSAZPDHHM-UHFFFAOYSA-N 1 2 396.598 3.883 20 30 GHEDLO CC(C)[N@@H+](Cc1cc(C#N)ccc1N(C)C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000876590797 893242269 /nfs/dbraw/zinc/24/22/69/893242269.db2.gz CNTAPYZNLGDEAF-UHFFFAOYSA-N 1 2 375.476 3.684 20 30 GHEDLO CC(C)[N@H+](Cc1cc(C#N)ccc1N(C)C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000876590797 893242282 /nfs/dbraw/zinc/24/22/82/893242282.db2.gz CNTAPYZNLGDEAF-UHFFFAOYSA-N 1 2 375.476 3.684 20 30 GHEDLO CC[C@H]1C[N@H+](Cc2cc(C#N)cnc2Cl)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000876762332 893320522 /nfs/dbraw/zinc/32/05/22/893320522.db2.gz ABVPABMRSFUQKJ-HOCLYGCPSA-N 1 2 378.904 3.732 20 30 GHEDLO CC[C@H]1C[N@@H+](Cc2cc(C#N)cnc2Cl)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000876762332 893320542 /nfs/dbraw/zinc/32/05/42/893320542.db2.gz ABVPABMRSFUQKJ-HOCLYGCPSA-N 1 2 378.904 3.732 20 30 GHEDLO CCn1nc(C)c(C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)c1C ZINC000879118581 894847598 /nfs/dbraw/zinc/84/75/98/894847598.db2.gz OZHARQOZKDBYBT-LJQANCHMSA-N 1 2 381.524 3.595 20 30 GHEDLO CCn1nc(C)c(C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)c1C ZINC000879118581 894847617 /nfs/dbraw/zinc/84/76/17/894847617.db2.gz OZHARQOZKDBYBT-LJQANCHMSA-N 1 2 381.524 3.595 20 30 GHEDLO CC(C)O[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000564562840 895084510 /nfs/dbraw/zinc/08/45/10/895084510.db2.gz DTIVQPRXIBYANP-HUUCEWRRSA-N 1 2 375.538 3.715 20 30 GHEDLO CC(C)O[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000564562840 895084526 /nfs/dbraw/zinc/08/45/26/895084526.db2.gz DTIVQPRXIBYANP-HUUCEWRRSA-N 1 2 375.538 3.715 20 30 GHEDLO N#CCCC1CC[NH+]([C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)CC1 ZINC000564978149 895338091 /nfs/dbraw/zinc/33/80/91/895338091.db2.gz CGOUXWODQPIYOP-OAHLLOKOSA-N 1 2 380.275 3.641 20 30 GHEDLO CC(C)(C)Cc1ncc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC001135836602 895386253 /nfs/dbraw/zinc/38/62/53/895386253.db2.gz QTOTVQCZJNZLMP-UHFFFAOYSA-N 1 2 396.560 3.951 20 30 GHEDLO CC(C)(C)Cc1ncc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC001135836602 895386268 /nfs/dbraw/zinc/38/62/68/895386268.db2.gz QTOTVQCZJNZLMP-UHFFFAOYSA-N 1 2 396.560 3.951 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000880320062 895636899 /nfs/dbraw/zinc/63/68/99/895636899.db2.gz NMXZNUMKLKCJOV-HUUCEWRRSA-N 1 2 386.546 3.965 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000880320062 895636905 /nfs/dbraw/zinc/63/69/05/895636905.db2.gz NMXZNUMKLKCJOV-HUUCEWRRSA-N 1 2 386.546 3.965 20 30 GHEDLO COC(=O)C(C)(C)[N@H+](C)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000565619219 895762719 /nfs/dbraw/zinc/76/27/19/895762719.db2.gz GGMGOGLVJXZEIP-UHFFFAOYSA-N 1 2 382.460 3.529 20 30 GHEDLO COC(=O)C(C)(C)[N@@H+](C)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000565619219 895762736 /nfs/dbraw/zinc/76/27/36/895762736.db2.gz GGMGOGLVJXZEIP-UHFFFAOYSA-N 1 2 382.460 3.529 20 30 GHEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000565943211 895999909 /nfs/dbraw/zinc/99/99/09/895999909.db2.gz AAGLDGHIUMVWHN-CQSZACIVSA-N 1 2 386.858 3.894 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(CC#N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000881148457 896199713 /nfs/dbraw/zinc/19/97/13/896199713.db2.gz ZIYMHUHEYMPRLG-AEFFLSMTSA-N 1 2 387.846 3.507 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)Nc2cccc(CC#N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000881148457 896199717 /nfs/dbraw/zinc/19/97/17/896199717.db2.gz ZIYMHUHEYMPRLG-AEFFLSMTSA-N 1 2 387.846 3.507 20 30 GHEDLO COC(=O)c1ccc(C(=[NH2+])Nc2ccc3[nH]c(-c4cccc(N)c4)cc3n2)cc1 ZINC001170981180 898250523 /nfs/dbraw/zinc/25/05/23/898250523.db2.gz KXKGVIKERKMTQE-UHFFFAOYSA-N 1 2 385.427 3.636 20 30 GHEDLO COc1ccc(C[NH+]2CCN(c3cnccc3C#N)CC2)cc1OCCC(C)C ZINC000569419133 898642736 /nfs/dbraw/zinc/64/27/36/898642736.db2.gz JBNQRFFNWYXGJX-UHFFFAOYSA-N 1 2 394.519 3.709 20 30 GHEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000114808516 899125521 /nfs/dbraw/zinc/12/55/21/899125521.db2.gz MRAZXTJXKIUYSM-KRWDZBQOSA-N 1 2 377.492 3.793 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000119914134 899703122 /nfs/dbraw/zinc/70/31/22/899703122.db2.gz ZPEHLELBFUODHF-HZPDHXFCSA-N 1 2 381.505 3.734 20 30 GHEDLO COCC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccc(C)c(C)c1 ZINC000887108845 901439446 /nfs/dbraw/zinc/43/94/46/901439446.db2.gz YWGZMRJUNOOEME-UHFFFAOYSA-N 1 2 376.460 3.874 20 30 GHEDLO COCC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccc(C)c(C)c1 ZINC000887108845 901439476 /nfs/dbraw/zinc/43/94/76/901439476.db2.gz YWGZMRJUNOOEME-UHFFFAOYSA-N 1 2 376.460 3.874 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)N2CCC(CCC#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000576460696 902035002 /nfs/dbraw/zinc/03/50/02/902035002.db2.gz BASPAWCAVDFXEF-RBUKOAKNSA-N 1 2 392.906 3.950 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)N2CCC(CCC#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000576460696 902035015 /nfs/dbraw/zinc/03/50/15/902035015.db2.gz BASPAWCAVDFXEF-RBUKOAKNSA-N 1 2 392.906 3.950 20 30 GHEDLO [NH2+]=C(Nc1cc(CN2CCOCC2)ccc1F)c1ccc2cc(O)ccc2c1 ZINC001171186103 902218239 /nfs/dbraw/zinc/21/82/39/902218239.db2.gz NYWYSTJVEVHHLO-UHFFFAOYSA-N 1 2 379.435 3.554 20 30 GHEDLO C[C@H](CC(=O)OC[C@H](C#N)Cc1cc(Br)ccc1F)n1cc[nH+]c1 ZINC000845593024 902274265 /nfs/dbraw/zinc/27/42/65/902274265.db2.gz UITYFWRZSKPQDA-OLZOCXBDSA-N 1 2 394.244 3.661 20 30 GHEDLO CC(C)N1C(=O)C[C@@H]([NH2+]Cc2nc(C#N)cs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000577105915 902506649 /nfs/dbraw/zinc/50/66/49/902506649.db2.gz FVVVWLNTNWIPHF-QAPCUYQASA-N 1 2 392.887 3.647 20 30 GHEDLO N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)s2)cc1 ZINC000263933560 902693251 /nfs/dbraw/zinc/69/32/51/902693251.db2.gz LQPUPRMSGZEVRG-MRXNPFEDSA-N 1 2 392.488 3.740 20 30 GHEDLO C[C@H](NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)c1ccc(C#N)cc1 ZINC000264206436 902920591 /nfs/dbraw/zinc/92/05/91/902920591.db2.gz FYDJYRKQXGOOAJ-IRXDYDNUSA-N 1 2 378.476 3.834 20 30 GHEDLO C=CCCn1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)nn1 ZINC000846821987 903244139 /nfs/dbraw/zinc/24/41/39/903244139.db2.gz VIHWFEYQMIDKQG-OALUTQOASA-N 1 2 389.544 3.608 20 30 GHEDLO C=CCCn1cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)nn1 ZINC000846821987 903244152 /nfs/dbraw/zinc/24/41/52/903244152.db2.gz VIHWFEYQMIDKQG-OALUTQOASA-N 1 2 389.544 3.608 20 30 GHEDLO C=CCCn1cc(C[N@H+]2CCCC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)nn1 ZINC000846821988 903244400 /nfs/dbraw/zinc/24/44/00/903244400.db2.gz VIHWFEYQMIDKQG-RBUKOAKNSA-N 1 2 389.544 3.608 20 30 GHEDLO C=CCCn1cc(C[N@@H+]2CCCC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)nn1 ZINC000846821988 903244411 /nfs/dbraw/zinc/24/44/11/903244411.db2.gz VIHWFEYQMIDKQG-RBUKOAKNSA-N 1 2 389.544 3.608 20 30 GHEDLO O=C(C[NH2+]Cc1c(F)cccc1OC(F)(F)F)Nc1ccc(F)c(F)c1F ZINC000577846123 903263629 /nfs/dbraw/zinc/26/36/29/903263629.db2.gz AQEPOEYCDIPYEM-UHFFFAOYSA-N 1 2 396.262 3.870 20 30 GHEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC000578450852 903855184 /nfs/dbraw/zinc/85/51/84/903855184.db2.gz NDWQLVHEDABIQM-UGKGYDQZSA-N 1 2 390.487 3.655 20 30 GHEDLO N#Cc1ccc(Oc2cccc(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccn3)c2)nc1 ZINC001147700313 903856406 /nfs/dbraw/zinc/85/64/06/903856406.db2.gz KJSVABYIMXNCJI-NRFANRHFSA-N 1 2 399.454 3.744 20 30 GHEDLO N#Cc1ccc(Oc2cccc(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccccn3)c2)nc1 ZINC001147700313 903856416 /nfs/dbraw/zinc/85/64/16/903856416.db2.gz KJSVABYIMXNCJI-NRFANRHFSA-N 1 2 399.454 3.744 20 30 GHEDLO C=CCOC(=O)[C@@H](Cc1ccc(OC(C)(C)C)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172223445 905424896 /nfs/dbraw/zinc/42/48/96/905424896.db2.gz VWKUBEMXDJLNJO-VCYXJBJXSA-N 1 2 387.520 3.804 20 30 GHEDLO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](Cc1ccc(O)cc1)C(=O)OC(C)(C)C ZINC001172301564 905455102 /nfs/dbraw/zinc/45/51/02/905455102.db2.gz RIMCQVZBMGZEFA-IERDGZPVSA-N 1 2 380.488 3.737 20 30 GHEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H](C)CCN(C)C(=O)OC(C)(C)C ZINC001172955119 906059077 /nfs/dbraw/zinc/05/90/77/906059077.db2.gz RSMIOUHGUWQDSV-HKUYNNGSSA-N 1 2 390.524 3.562 20 30 GHEDLO C=CCOC1CCC([NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CC1 ZINC001173312735 906364774 /nfs/dbraw/zinc/36/47/74/906364774.db2.gz LGCYHTWWCTTWJM-JCYILVPMSA-N 1 2 383.529 3.532 20 30 GHEDLO C=CCOC1CCC([N@H+]2CCn3c(COc4cccnc4)cnc3[C@H]2C)CC1 ZINC001173320582 906391251 /nfs/dbraw/zinc/39/12/51/906391251.db2.gz QAWJRGVIIBAAFK-PGYGNJIDSA-N 1 2 382.508 3.748 20 30 GHEDLO C=CCOC1CCC([N@@H+]2CCn3c(COc4cccnc4)cnc3[C@H]2C)CC1 ZINC001173320582 906391266 /nfs/dbraw/zinc/39/12/66/906391266.db2.gz QAWJRGVIIBAAFK-PGYGNJIDSA-N 1 2 382.508 3.748 20 30 GHEDLO COc1ccccc1[C@@H]1CSCCC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC001175947086 907858654 /nfs/dbraw/zinc/85/86/54/907858654.db2.gz PIXSHKHEYDZAIY-IBGZPJMESA-N 1 2 381.501 3.686 20 30 GHEDLO COc1ccccc1[C@@H]1CSCCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC001175947086 907858668 /nfs/dbraw/zinc/85/86/68/907858668.db2.gz PIXSHKHEYDZAIY-IBGZPJMESA-N 1 2 381.501 3.686 20 30 GHEDLO CCC[C@@H](C(=O)OCC)[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001176691473 908213971 /nfs/dbraw/zinc/21/39/71/908213971.db2.gz WEPPCKCSIKIRMO-AEJSXWLSSA-N 1 2 397.306 3.821 20 30 GHEDLO CCC[C@@H](C(=O)OCC)[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001176691473 908213984 /nfs/dbraw/zinc/21/39/84/908213984.db2.gz WEPPCKCSIKIRMO-AEJSXWLSSA-N 1 2 397.306 3.821 20 30 GHEDLO N#CCCN(C(=O)C[N@H+]1CC=C(c2ccc(Cl)nc2)CC1)c1ccccc1 ZINC000773671114 908602550 /nfs/dbraw/zinc/60/25/50/908602550.db2.gz UWAYVBBRRDUKJM-UHFFFAOYSA-N 1 2 380.879 3.771 20 30 GHEDLO N#CCCN(C(=O)C[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1)c1ccccc1 ZINC000773671114 908602557 /nfs/dbraw/zinc/60/25/57/908602557.db2.gz UWAYVBBRRDUKJM-UHFFFAOYSA-N 1 2 380.879 3.771 20 30 GHEDLO C[C@@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1nc(Cc2ccccc2)no1 ZINC000191600002 908648521 /nfs/dbraw/zinc/64/85/21/908648521.db2.gz STKVTJKCPFRKAS-QGZVFWFLSA-N 1 2 375.476 3.861 20 30 GHEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)c1ccccc1Sc1ccccc1C#N ZINC001178202730 908937168 /nfs/dbraw/zinc/93/71/68/908937168.db2.gz JSKKKGJFRHWGKB-GOSISDBHSA-N 1 2 395.528 3.550 20 30 GHEDLO N#Cc1ccc(C[NH2+]Cc2ncc(Br)cc2Br)s1 ZINC001178978412 909324010 /nfs/dbraw/zinc/32/40/10/909324010.db2.gz XHZYFFNGDUYETR-UHFFFAOYSA-N 1 2 387.100 3.830 20 30 GHEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1O ZINC000267418487 909490351 /nfs/dbraw/zinc/49/03/51/909490351.db2.gz VWWVLBDSAKIQOF-OAHLLOKOSA-N 1 2 399.516 3.866 20 30 GHEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1O ZINC000267418487 909490354 /nfs/dbraw/zinc/49/03/54/909490354.db2.gz VWWVLBDSAKIQOF-OAHLLOKOSA-N 1 2 399.516 3.866 20 30 GHEDLO C[NH+]1CCN(c2ccc(N[C@H]3CCC[C@@H](C#N)C3)cc2Br)CC1 ZINC000774378040 911685051 /nfs/dbraw/zinc/68/50/51/911685051.db2.gz XJHLANHVAMQYHI-CABCVRRESA-N 1 2 377.330 3.695 20 30 GHEDLO CCCCCCCCCCCCS(=O)(=O)NCc1c[nH+]cn1CCOC ZINC001187724004 915479812 /nfs/dbraw/zinc/47/98/12/915479812.db2.gz KLWADQMWEUWKNK-UHFFFAOYSA-N 1 2 387.590 3.870 20 30 GHEDLO C=CC[N@@H+](Cc1cc(Br)ccc1F)C[C@H]1CN(C2CC2)C(=O)O1 ZINC001190752602 917547304 /nfs/dbraw/zinc/54/73/04/917547304.db2.gz MCTWIVKCUULMQU-HNNXBMFYSA-N 1 2 383.261 3.559 20 30 GHEDLO C=CC[N@H+](Cc1cc(Br)ccc1F)C[C@H]1CN(C2CC2)C(=O)O1 ZINC001190752602 917547308 /nfs/dbraw/zinc/54/73/08/917547308.db2.gz MCTWIVKCUULMQU-HNNXBMFYSA-N 1 2 383.261 3.559 20 30 GHEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC000796464955 917559889 /nfs/dbraw/zinc/55/98/89/917559889.db2.gz LZBMOPKNDCVGDL-GOSISDBHSA-N 1 2 381.451 3.836 20 30 GHEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC000796464955 917559898 /nfs/dbraw/zinc/55/98/98/917559898.db2.gz LZBMOPKNDCVGDL-GOSISDBHSA-N 1 2 381.451 3.836 20 30 GHEDLO C=CC[NH+]1CCN(C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)n2)CC1 ZINC001191703541 918127564 /nfs/dbraw/zinc/12/75/64/918127564.db2.gz XCROMMITPVBZDM-UHFFFAOYSA-N 1 2 391.393 3.837 20 30 GHEDLO C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000115596985 919459531 /nfs/dbraw/zinc/45/95/31/919459531.db2.gz ROKHFUULCFSZBI-ZHRRBRCNSA-N 1 2 398.466 3.688 20 30 GHEDLO C=C[C@@H](CC(=O)N1CCC[C@H]([N@H+](C)Cc2noc(C)n2)CC1)c1ccccc1 ZINC000364697921 919868847 /nfs/dbraw/zinc/86/88/47/919868847.db2.gz PSGSBBYQKMRMDC-ICSRJNTNSA-N 1 2 382.508 3.551 20 30 GHEDLO C=C[C@@H](CC(=O)N1CCC[C@H]([N@@H+](C)Cc2noc(C)n2)CC1)c1ccccc1 ZINC000364697921 919868864 /nfs/dbraw/zinc/86/88/64/919868864.db2.gz PSGSBBYQKMRMDC-ICSRJNTNSA-N 1 2 382.508 3.551 20 30 GHEDLO Cc1noc([C@@H]2CCC[N@H+]2CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)n1 ZINC000298019189 920085954 /nfs/dbraw/zinc/08/59/54/920085954.db2.gz BABQGDXZTIANRQ-WBMJQRKESA-N 1 2 399.520 3.602 20 30 GHEDLO Cc1noc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)n1 ZINC000298019189 920085983 /nfs/dbraw/zinc/08/59/83/920085983.db2.gz BABQGDXZTIANRQ-WBMJQRKESA-N 1 2 399.520 3.602 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@H+](Cc3csc(Br)n3)CC2)C1=O ZINC001275964922 920328034 /nfs/dbraw/zinc/32/80/34/920328034.db2.gz XLHXHMCYRZPWFV-QGZVFWFLSA-N 1 2 398.370 3.686 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+](Cc3csc(Br)n3)CC2)C1=O ZINC001275964922 920328052 /nfs/dbraw/zinc/32/80/52/920328052.db2.gz XLHXHMCYRZPWFV-QGZVFWFLSA-N 1 2 398.370 3.686 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)cc1Cl ZINC000007927410 920566545 /nfs/dbraw/zinc/56/65/45/920566545.db2.gz NSEOZSRGLILAMB-MRXNPFEDSA-N 1 2 389.908 3.893 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@H+](Cc2cccs2)C[C@H]2CCCO2)cc1Cl ZINC000007927410 920566556 /nfs/dbraw/zinc/56/65/56/920566556.db2.gz NSEOZSRGLILAMB-MRXNPFEDSA-N 1 2 389.908 3.893 20 30 GHEDLO CC(C)(C)OC(=O)C1CCN(c2ccc(CNc3cc(CC#N)cc[nH+]3)o2)CC1 ZINC000902067508 921847109 /nfs/dbraw/zinc/84/71/09/921847109.db2.gz NUEWRFJYERBWQB-UHFFFAOYSA-N 1 2 396.491 3.911 20 30 GHEDLO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000903262121 922888553 /nfs/dbraw/zinc/88/85/53/922888553.db2.gz AJGRMDGBWYAYTA-CJNGLKHVSA-N 1 2 375.469 3.953 20 30 GHEDLO N#Cc1ccc(CNC(=O)C[NH2+][C@@H](c2cccc(Cl)c2)c2ccccn2)cc1 ZINC000370865207 924333553 /nfs/dbraw/zinc/33/35/53/924333553.db2.gz OMQHEFYQPBUVMR-QFIPXVFZSA-N 1 2 390.874 3.602 20 30 GHEDLO CC(=O)c1ccc2c(c1)CC[N@@H+](Cc1c(C#N)c(C)nn1-c1ccccc1)CC2 ZINC000678629483 924849737 /nfs/dbraw/zinc/84/97/37/924849737.db2.gz MJZYMMXEPGALFN-UHFFFAOYSA-N 1 2 384.483 3.856 20 30 GHEDLO CC(=O)c1ccc2c(c1)CC[N@H+](Cc1c(C#N)c(C)nn1-c1ccccc1)CC2 ZINC000678629483 924849743 /nfs/dbraw/zinc/84/97/43/924849743.db2.gz MJZYMMXEPGALFN-UHFFFAOYSA-N 1 2 384.483 3.856 20 30 GHEDLO NC(=NOCc1ccc(Cl)cc1Cl)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000725793065 926440672 /nfs/dbraw/zinc/44/06/72/926440672.db2.gz UWSBINKPSVNBIA-UHFFFAOYSA-N 1 2 394.302 3.663 20 30 GHEDLO N#Cc1ccc(NC(=S)N2CC[NH+](Cc3cccs3)CC2)cc1Cl ZINC000726442784 926666689 /nfs/dbraw/zinc/66/66/89/926666689.db2.gz HVCQXBBVUSFXOL-UHFFFAOYSA-N 1 2 376.938 3.788 20 30 GHEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)CC2)c1 ZINC000412016071 927009457 /nfs/dbraw/zinc/00/94/57/927009457.db2.gz VTYFUJLIVWYANX-PDIWNELESA-N 1 2 389.499 3.576 20 30 GHEDLO Cc1sc(NC(=O)C[N@@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)c(C#N)c1C ZINC000750043436 927402426 /nfs/dbraw/zinc/40/24/26/927402426.db2.gz CBZMISKPYVLALQ-ICSRJNTNSA-N 1 2 383.517 3.763 20 30 GHEDLO Cc1sc(NC(=O)C[N@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)c(C#N)c1C ZINC000750043436 927402432 /nfs/dbraw/zinc/40/24/32/927402432.db2.gz CBZMISKPYVLALQ-ICSRJNTNSA-N 1 2 383.517 3.763 20 30 GHEDLO CO[C@@H]1C[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)CC[C@H]1C ZINC000467302073 928936514 /nfs/dbraw/zinc/93/65/14/928936514.db2.gz DMJYZCQNEYMWTG-FOIQADDNSA-N 1 2 386.540 3.777 20 30 GHEDLO CO[C@@H]1C[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)CC[C@H]1C ZINC000467302073 928936524 /nfs/dbraw/zinc/93/65/24/928936524.db2.gz DMJYZCQNEYMWTG-FOIQADDNSA-N 1 2 386.540 3.777 20 30 GHEDLO C[C@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1cn(-c2ccccc2)nn1 ZINC000544519213 929253531 /nfs/dbraw/zinc/25/35/31/929253531.db2.gz KKBBXRYGBFPFND-HNNXBMFYSA-N 1 2 386.377 3.868 20 30 GHEDLO CCCCNc1[nH+]c2ccccc2n1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000753913260 929589217 /nfs/dbraw/zinc/58/92/17/929589217.db2.gz AMORTVGNEIUUPF-UHFFFAOYSA-N 1 2 382.489 3.594 20 30 GHEDLO COc1cc(C#N)ccc1NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000546005216 929766522 /nfs/dbraw/zinc/76/65/22/929766522.db2.gz GSCLBXAZRFCEAK-CTNGQTDRSA-N 1 2 387.443 3.814 20 30 GHEDLO O=C(/C=C\c1c[nH+]c2ccc(Cl)cn12)c1cc2c(s1)SCC(=O)N2 ZINC000758062045 929905897 /nfs/dbraw/zinc/90/58/97/929905897.db2.gz GFZVPASEPFHKBH-IHWYPQMZSA-N 1 2 375.862 3.990 20 30 GHEDLO N#CCCn1ncc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1-c1ccccc1 ZINC000758156315 929950711 /nfs/dbraw/zinc/95/07/11/929950711.db2.gz SOGCYXHUSATZNF-UHFFFAOYSA-N 1 2 396.454 3.579 20 30 GHEDLO CCCOc1cc(F)ccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000470403184 930591145 /nfs/dbraw/zinc/59/11/45/930591145.db2.gz FRSUQTYODIJMTE-UHFFFAOYSA-N 1 2 396.466 3.836 20 30 GHEDLO Cc1cc(C#N)nc(Sc2nnc([C@@H](C)[NH+](C)C)n2-c2ccc(Cl)cc2)n1 ZINC000557475215 931458524 /nfs/dbraw/zinc/45/85/24/931458524.db2.gz FPZVXTKYPTXUCS-GFCCVEGCSA-N 1 2 399.911 3.665 20 30 GHEDLO O=C(NC1CC1)c1cc(F)c(N=NCc2cc(-n3cc[nH+]c3)cs2)c(F)c1 ZINC000783853713 931692199 /nfs/dbraw/zinc/69/21/99/931692199.db2.gz BTNKOLLAYJYDEY-UHFFFAOYSA-N 1 2 387.415 3.550 20 30 GHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)OC[C@H](C#N)Cc1cccs1 ZINC000796807091 932074844 /nfs/dbraw/zinc/07/48/44/932074844.db2.gz XZQWUIXVNCXASU-LBPRGKRZSA-N 1 2 375.400 3.610 20 30 GHEDLO COc1ccc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c2ccccc12 ZINC000798275355 932588660 /nfs/dbraw/zinc/58/86/60/932588660.db2.gz QHEGIJBFNROWPN-LPHOPBHVSA-N 1 2 381.476 3.697 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2ccc(C)c(C#N)c2)[C@H](C)C1 ZINC000799426047 932999936 /nfs/dbraw/zinc/99/99/36/932999936.db2.gz RWYXIEXUKNVDIZ-GOSISDBHSA-N 1 2 377.488 3.612 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2ccc(C)c(C#N)c2)[C@H](C)C1 ZINC000799426047 932999941 /nfs/dbraw/zinc/99/99/41/932999941.db2.gz RWYXIEXUKNVDIZ-GOSISDBHSA-N 1 2 377.488 3.612 20 30 GHEDLO Cc1ccc2[nH+]c(CSCC(=O)N(CCC#N)c3ccc(F)cc3)cn2c1 ZINC000561586357 934290325 /nfs/dbraw/zinc/29/03/25/934290325.db2.gz NHIZTTDDYMRPNH-UHFFFAOYSA-N 1 2 382.464 3.962 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(c2ncco2)CC1 ZINC000931444456 934563057 /nfs/dbraw/zinc/56/30/57/934563057.db2.gz JNXJSZSPTYTUAD-HNNXBMFYSA-N 1 2 384.505 3.887 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC001122537115 934892919 /nfs/dbraw/zinc/89/29/19/934892919.db2.gz QSUGZKLLDDKNOM-AABGKKOBSA-N 1 2 387.572 3.654 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC001122537115 934892926 /nfs/dbraw/zinc/89/29/26/934892926.db2.gz QSUGZKLLDDKNOM-AABGKKOBSA-N 1 2 387.572 3.654 20 30 GHEDLO N#Cc1cc(Br)ccc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001125233117 935555442 /nfs/dbraw/zinc/55/54/42/935555442.db2.gz PBHAFNQYPIWZLE-UHFFFAOYSA-N 1 2 385.196 3.898 20 30 GHEDLO N#Cc1cccc(N2C[C@]3(CC[N@@H+](Cc4cc(F)cc(F)c4F)C3)CC2=O)c1 ZINC001137871127 935836328 /nfs/dbraw/zinc/83/63/28/935836328.db2.gz ONBGVHHRIRPONX-OAQYLSRUSA-N 1 2 385.389 3.605 20 30 GHEDLO N#Cc1cccc(N2C[C@]3(CC[N@H+](Cc4cc(F)cc(F)c4F)C3)CC2=O)c1 ZINC001137871127 935836330 /nfs/dbraw/zinc/83/63/30/935836330.db2.gz ONBGVHHRIRPONX-OAQYLSRUSA-N 1 2 385.389 3.605 20 30 GHEDLO C=CC1CCN(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)CC1 ZINC000545354042 1015802679 /nfs/dbraw/zinc/80/26/79/1015802679.db2.gz QAZNIIZXMWCGIX-UHFFFAOYSA-N 1 2 391.313 3.555 20 30 GHEDLO Cc1csc(C2([NH2+]Cc3cc(=O)n4c5ccccc5[nH]c4c3C#N)CCC2)n1 ZINC000778127259 1018709013 /nfs/dbraw/zinc/70/90/13/1018709013.db2.gz BVJZCKJUTUWLOR-OAHLLOKOSA-N 1 2 389.484 3.658 20 30 GHEDLO C=CCn1ncc2ccc(NC(=O)NCc3cc[nH+]c(N4CCCC4)c3)cc21 ZINC000933062846 1018824686 /nfs/dbraw/zinc/82/46/86/1018824686.db2.gz VIAFBOMPQDDTRL-UHFFFAOYSA-N 1 2 376.464 3.539 20 30 GHEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC000570947105 1019656620 /nfs/dbraw/zinc/65/66/20/1019656620.db2.gz PLKZZQLCYIYUGA-NRFANRHFSA-N 1 2 390.572 3.506 20 30 GHEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1ccc(Br)cc1F)CC2 ZINC001204549909 1032964597 /nfs/dbraw/zinc/96/45/97/1032964597.db2.gz GIAJFEIOMCIMAT-UHFFFAOYSA-N 1 2 381.289 3.731 20 30 GHEDLO C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC001626158211 1021295132 /nfs/dbraw/zinc/29/51/32/1021295132.db2.gz SNMATEMOUUIHSM-MRXNPFEDSA-N 1 2 391.512 3.573 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2ccnc(Br)c2F)C1 ZINC001228539572 1032976978 /nfs/dbraw/zinc/97/69/78/1032976978.db2.gz CXMVMRYZMKNRBH-CQSZACIVSA-N 1 2 376.229 3.508 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2ccnc(Br)c2F)C1 ZINC001228539572 1032976984 /nfs/dbraw/zinc/97/69/84/1032976984.db2.gz CXMVMRYZMKNRBH-CQSZACIVSA-N 1 2 376.229 3.508 20 30 GHEDLO Cc1cc(C[N@H+](C)Cc2cn(C(=O)OC(C)(C)C)c3ccc(C#N)cc23)n(C)n1 ZINC001140439634 1021712215 /nfs/dbraw/zinc/71/22/15/1021712215.db2.gz JYAPTZJIESWLBX-UHFFFAOYSA-N 1 2 393.491 3.970 20 30 GHEDLO Cc1cc(C[N@@H+](C)Cc2cn(C(=O)OC(C)(C)C)c3ccc(C#N)cc23)n(C)n1 ZINC001140439634 1021712234 /nfs/dbraw/zinc/71/22/34/1021712234.db2.gz JYAPTZJIESWLBX-UHFFFAOYSA-N 1 2 393.491 3.970 20 30 GHEDLO C[N@H+](Cc1cn(C(=O)OC(C)(C)C)c2ccc(C#N)cc12)Cc1ccncn1 ZINC001140440823 1021714219 /nfs/dbraw/zinc/71/42/19/1021714219.db2.gz DEPAWWSAPQXMMH-UHFFFAOYSA-N 1 2 377.448 3.718 20 30 GHEDLO C[N@@H+](Cc1cn(C(=O)OC(C)(C)C)c2ccc(C#N)cc12)Cc1ccncn1 ZINC001140440823 1021714232 /nfs/dbraw/zinc/71/42/32/1021714232.db2.gz DEPAWWSAPQXMMH-UHFFFAOYSA-N 1 2 377.448 3.718 20 30 GHEDLO Cc1nc(NCc2cccc(C(=O)OCC#Cc3ccc(F)cc3)c2)cc[nH+]1 ZINC000754955099 1022983303 /nfs/dbraw/zinc/98/33/03/1022983303.db2.gz HECDLDUQHCGLKG-UHFFFAOYSA-N 1 2 375.403 3.745 20 30 GHEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1cncn1Cc1ccccc1)CCO2 ZINC001138566072 1025035289 /nfs/dbraw/zinc/03/52/89/1025035289.db2.gz ZPCUKHPYGFIHKS-FYYLOGMGSA-N 1 2 381.520 3.505 20 30 GHEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1cncn1Cc1ccccc1)CCO2 ZINC001138566072 1025035305 /nfs/dbraw/zinc/03/53/05/1025035305.db2.gz ZPCUKHPYGFIHKS-FYYLOGMGSA-N 1 2 381.520 3.505 20 30 GHEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)CC2)cc1 ZINC000839693446 1026206974 /nfs/dbraw/zinc/20/69/74/1026206974.db2.gz OYZSLMJUWRECHE-XZOQPEGZSA-N 1 2 388.515 3.513 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)cc1F ZINC001139528822 1026386902 /nfs/dbraw/zinc/38/69/02/1026386902.db2.gz YZCVIUHVCNGNSO-SIKLNZKXSA-N 1 2 381.451 3.542 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)cc1F ZINC001139528822 1026386916 /nfs/dbraw/zinc/38/69/16/1026386916.db2.gz YZCVIUHVCNGNSO-SIKLNZKXSA-N 1 2 381.451 3.542 20 30 GHEDLO CN(C)c1[nH+]ccc2c1CN(c1nc3c(c(C#N)c1C#N)CCCCCC3)CC2 ZINC001164371663 1026497328 /nfs/dbraw/zinc/49/73/28/1026497328.db2.gz FMYNXHYIRPFRDK-UHFFFAOYSA-N 1 2 386.503 3.508 20 30 GHEDLO N#Cc1c(Cl)cccc1CN1Cc2c[nH+]cn2C[C@H](COc2ccccn2)C1 ZINC001139690380 1026542272 /nfs/dbraw/zinc/54/22/72/1026542272.db2.gz AMQIIHJTZYEZJH-MRXNPFEDSA-N 1 2 393.878 3.514 20 30 GHEDLO N#Cc1cccc2c(C[NH+]3CCN(C(=O)c4cccc(Cl)c4)CC3)c[nH]c21 ZINC001139706869 1026550984 /nfs/dbraw/zinc/55/09/84/1026550984.db2.gz KUBPWHBIZLULLS-UHFFFAOYSA-N 1 2 378.863 3.651 20 30 GHEDLO C=CCn1cc(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](Cc3ccccc3)C2)cn1 ZINC001139768332 1026604782 /nfs/dbraw/zinc/60/47/82/1026604782.db2.gz NFHCHNFDTFJFBV-NRFANRHFSA-N 1 2 396.535 3.733 20 30 GHEDLO C=CCn1cc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](Cc3ccccc3)C2)cn1 ZINC001139768332 1026604788 /nfs/dbraw/zinc/60/47/88/1026604788.db2.gz NFHCHNFDTFJFBV-NRFANRHFSA-N 1 2 396.535 3.733 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCO[C@]3(CCC[C@H]3COCc3cccnc3)C2)c(F)c1 ZINC001140136656 1026910379 /nfs/dbraw/zinc/91/03/79/1026910379.db2.gz JGNURNLGELBGGA-JTHBVZDNSA-N 1 2 395.478 3.680 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCO[C@]3(CCC[C@H]3COCc3cccnc3)C2)c(F)c1 ZINC001140136656 1026910387 /nfs/dbraw/zinc/91/03/87/1026910387.db2.gz JGNURNLGELBGGA-JTHBVZDNSA-N 1 2 395.478 3.680 20 30 GHEDLO C=CCOC[C@H]1C[N@H+](Cc2cccc3cnccc32)Cc2nnn(CC3CC3)c21 ZINC001140141296 1026914844 /nfs/dbraw/zinc/91/48/44/1026914844.db2.gz LXYVTZBBAHZRMB-HXUWFJFHSA-N 1 2 389.503 3.538 20 30 GHEDLO C=CCOC[C@H]1C[N@@H+](Cc2cccc3cnccc32)Cc2nnn(CC3CC3)c21 ZINC001140141296 1026914847 /nfs/dbraw/zinc/91/48/47/1026914847.db2.gz LXYVTZBBAHZRMB-HXUWFJFHSA-N 1 2 389.503 3.538 20 30 GHEDLO N#Cc1ccc(C2=CC[N@H+](CN3C(=O)C4(CCC4)[C@@H]3c3cccnc3)CC2)cc1 ZINC000840040097 1027106990 /nfs/dbraw/zinc/10/69/90/1027106990.db2.gz XRYRQKPWRYJGDB-QFIPXVFZSA-N 1 2 384.483 3.754 20 30 GHEDLO N#Cc1ccc(C2=CC[N@@H+](CN3C(=O)C4(CCC4)[C@@H]3c3cccnc3)CC2)cc1 ZINC000840040097 1027107004 /nfs/dbraw/zinc/10/70/04/1027107004.db2.gz XRYRQKPWRYJGDB-QFIPXVFZSA-N 1 2 384.483 3.754 20 30 GHEDLO C[C@H]1C[N@H+](Cc2ccc(Br)cc2C#N)CCC[C@]1(O)C(F)(F)F ZINC001141807283 1027335620 /nfs/dbraw/zinc/33/56/20/1027335620.db2.gz BKDUYGCTPCPENW-XHDPSFHLSA-N 1 2 391.231 3.846 20 30 GHEDLO C[C@H]1C[N@@H+](Cc2ccc(Br)cc2C#N)CCC[C@]1(O)C(F)(F)F ZINC001141807283 1027335636 /nfs/dbraw/zinc/33/56/36/1027335636.db2.gz BKDUYGCTPCPENW-XHDPSFHLSA-N 1 2 391.231 3.846 20 30 GHEDLO Cc1cc(Nc2ccc[nH+]c2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cnc1C#N ZINC001210202899 1027384428 /nfs/dbraw/zinc/38/44/28/1027384428.db2.gz WFLFLFXJTYLEOA-OAHLLOKOSA-N 1 2 394.479 3.504 20 30 GHEDLO N#Cc1cccc(C[N@@H+]2CCc3c(c(COc4ccccn4)nn3CC3CC3)C2)c1 ZINC001203760421 1027582126 /nfs/dbraw/zinc/58/21/26/1027582126.db2.gz JXERDCJXJSYUBQ-UHFFFAOYSA-N 1 2 399.498 3.697 20 30 GHEDLO N#Cc1cccc(C[N@H+]2CCc3c(c(COc4ccccn4)nn3CC3CC3)C2)c1 ZINC001203760421 1027582140 /nfs/dbraw/zinc/58/21/40/1027582140.db2.gz JXERDCJXJSYUBQ-UHFFFAOYSA-N 1 2 399.498 3.697 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1ccc(OC)c(OC)c1)CC2 ZINC001203834863 1027644405 /nfs/dbraw/zinc/64/44/05/1027644405.db2.gz HSWAZIFQWUAVHP-UHFFFAOYSA-N 1 2 397.519 3.571 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1ccc(OC)c(OC)c1)CC2 ZINC001203834863 1027644412 /nfs/dbraw/zinc/64/44/12/1027644412.db2.gz HSWAZIFQWUAVHP-UHFFFAOYSA-N 1 2 397.519 3.571 20 30 GHEDLO CCOC(=O)CCCc1[nH+]c2cc(Nc3ccc(N)c(C#N)c3)ccc2n1C ZINC001213439107 1028191865 /nfs/dbraw/zinc/19/18/65/1028191865.db2.gz PSQJNJMTRZSRFJ-UHFFFAOYSA-N 1 2 377.448 3.657 20 30 GHEDLO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC001142221979 1028409864 /nfs/dbraw/zinc/40/98/64/1028409864.db2.gz LDCFJYAHMOXCNB-DLBZAZTESA-N 1 2 392.544 3.664 20 30 GHEDLO CCCCCC[C@H](C)NC(=O)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000842209538 1029149211 /nfs/dbraw/zinc/14/92/11/1029149211.db2.gz ASDIHYOEDWCQAH-FQEVSTJZSA-N 1 2 384.568 3.541 20 30 GHEDLO CCCCCC[C@H](C)NC(=O)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000842209538 1029149223 /nfs/dbraw/zinc/14/92/23/1029149223.db2.gz ASDIHYOEDWCQAH-FQEVSTJZSA-N 1 2 384.568 3.541 20 30 GHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+]2CC3(C[C@@H]2C)CCOCC3)c1=S ZINC000842641215 1029447468 /nfs/dbraw/zinc/44/74/68/1029447468.db2.gz ZCALEJGGYBGNBG-KRWDZBQOSA-N 1 2 399.564 3.901 20 30 GHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+]2CC3(C[C@@H]2C)CCOCC3)c1=S ZINC000842641215 1029447480 /nfs/dbraw/zinc/44/74/80/1029447480.db2.gz ZCALEJGGYBGNBG-KRWDZBQOSA-N 1 2 399.564 3.901 20 30 GHEDLO C[C@@H]1[C@H](CNC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143164211 1029876197 /nfs/dbraw/zinc/87/61/97/1029876197.db2.gz BODXKGSYQWJPLR-HIFRSBDPSA-N 1 2 379.451 3.962 20 30 GHEDLO C[C@@H]1[C@H](CNC(=O)OC(C)(C)C)CCC[N@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143164211 1029876201 /nfs/dbraw/zinc/87/62/01/1029876201.db2.gz BODXKGSYQWJPLR-HIFRSBDPSA-N 1 2 379.451 3.962 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+]2Cc2c(F)ccc(C#N)c2F)CC1 ZINC001143167038 1029877767 /nfs/dbraw/zinc/87/77/67/1029877767.db2.gz PUIGYWRDCXXIEM-UHFFFAOYSA-N 1 2 377.435 3.812 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC2(CC[N@H+]2Cc2c(F)ccc(C#N)c2F)CC1 ZINC001143167038 1029877775 /nfs/dbraw/zinc/87/77/75/1029877775.db2.gz PUIGYWRDCXXIEM-UHFFFAOYSA-N 1 2 377.435 3.812 20 30 GHEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3ccc(OCC)c(F)c3F)C2)CC1 ZINC001143270118 1029967595 /nfs/dbraw/zinc/96/75/95/1029967595.db2.gz WUOLVVUDGBJPOH-UHFFFAOYSA-N 1 2 380.435 3.584 20 30 GHEDLO CCOC(=O)c1coc(C2CCN(c3[nH+]ccc4ccc(C#N)cc43)CC2)n1 ZINC001157706698 1033733745 /nfs/dbraw/zinc/73/37/45/1033733745.db2.gz WAECMBMEEDOESI-UHFFFAOYSA-N 1 2 376.416 3.655 20 30 GHEDLO COC(=O)c1cc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)n2c1CCCC2 ZINC001461884263 1069833508 /nfs/dbraw/zinc/83/35/08/1069833508.db2.gz RXKRYDZVPFLUMO-RTWAWAEBSA-N 1 2 377.488 3.883 20 30 GHEDLO COC(=O)c1cc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)n2c1CCCC2 ZINC001461884263 1069833523 /nfs/dbraw/zinc/83/35/23/1069833523.db2.gz RXKRYDZVPFLUMO-RTWAWAEBSA-N 1 2 377.488 3.883 20 30 GHEDLO C#C[C@H](NC(=O)N1CC[NH+]([C@@H](CC)c2ccc(F)cc2)CC1)c1ccccc1 ZINC001230489913 1034086819 /nfs/dbraw/zinc/08/68/19/1034086819.db2.gz ZBVLICRUUCLINM-VXKWHMMOSA-N 1 2 379.479 3.979 20 30 GHEDLO N#C[C@H]1CCC[N@@H+](CCc2c(Br)ccnc2Br)CC1 ZINC001208808312 1035032883 /nfs/dbraw/zinc/03/28/83/1035032883.db2.gz NABWCMPMINTUFH-NSHDSACASA-N 1 2 387.119 3.775 20 30 GHEDLO N#C[C@H]1CCC[N@H+](CCc2c(Br)ccnc2Br)CC1 ZINC001208808312 1035032889 /nfs/dbraw/zinc/03/28/89/1035032889.db2.gz NABWCMPMINTUFH-NSHDSACASA-N 1 2 387.119 3.775 20 30 GHEDLO N#Cc1ccnc(C[NH+]2CCC(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC001232481873 1038262660 /nfs/dbraw/zinc/26/26/60/1038262660.db2.gz JTWAMJXCPBEONA-UHFFFAOYSA-N 1 2 389.377 3.947 20 30 GHEDLO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(O)cc1I ZINC001232717570 1038515821 /nfs/dbraw/zinc/51/58/21/1038515821.db2.gz QYAXXQQZPJIBHW-UHFFFAOYSA-N 1 2 378.213 3.500 20 30 GHEDLO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(O)cc1I ZINC001232717570 1038515826 /nfs/dbraw/zinc/51/58/26/1038515826.db2.gz QYAXXQQZPJIBHW-UHFFFAOYSA-N 1 2 378.213 3.500 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2cc(OC)c(Cl)cc2OC)C1=O ZINC001277705595 1038519016 /nfs/dbraw/zinc/51/90/16/1038519016.db2.gz SMQFPZYCEUPONX-FQEVSTJZSA-N 1 2 378.900 3.500 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2cc(OC)c(Cl)cc2OC)C1=O ZINC001277705595 1038519023 /nfs/dbraw/zinc/51/90/23/1038519023.db2.gz SMQFPZYCEUPONX-FQEVSTJZSA-N 1 2 378.900 3.500 20 30 GHEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H]2OCCC[C@]2(COc2ncccc2F)C1 ZINC001232890487 1038675467 /nfs/dbraw/zinc/67/54/67/1038675467.db2.gz GETUQFPEEWSRHQ-IFMALSPDSA-N 1 2 399.441 3.682 20 30 GHEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H]2OCCC[C@]2(COc2ncccc2F)C1 ZINC001232890487 1038675474 /nfs/dbraw/zinc/67/54/74/1038675474.db2.gz GETUQFPEEWSRHQ-IFMALSPDSA-N 1 2 399.441 3.682 20 30 GHEDLO N#Cc1cc[nH]c1C[NH+]1CCC(c2nc3ccc(-c4ccccc4)cn3n2)CC1 ZINC001233044391 1038801302 /nfs/dbraw/zinc/80/13/02/1038801302.db2.gz JSIUSTFUDAGCCI-UHFFFAOYSA-N 1 2 382.471 3.976 20 30 GHEDLO C[C@@H](Oc1ncc(C(F)(F)F)cc1C#N)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001233505930 1039396295 /nfs/dbraw/zinc/39/62/95/1039396295.db2.gz ACLVAZFKWUPCGL-RDTXWAMCSA-N 1 2 391.393 3.640 20 30 GHEDLO C[C@@H](Oc1ncc(C(F)(F)F)cc1C#N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001233505930 1039396310 /nfs/dbraw/zinc/39/63/10/1039396310.db2.gz ACLVAZFKWUPCGL-RDTXWAMCSA-N 1 2 391.393 3.640 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2cc3c[nH]nc3cc2Br)C1 ZINC001233900048 1039692322 /nfs/dbraw/zinc/69/23/22/1039692322.db2.gz ZHDJNZWUEKMZOT-MRXNPFEDSA-N 1 2 397.276 3.850 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2cc3c[nH]nc3cc2Br)C1 ZINC001233900048 1039692326 /nfs/dbraw/zinc/69/23/26/1039692326.db2.gz ZHDJNZWUEKMZOT-MRXNPFEDSA-N 1 2 397.276 3.850 20 30 GHEDLO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]Cc1nnc(C)o1 ZINC001253616978 1039728751 /nfs/dbraw/zinc/72/87/51/1039728751.db2.gz KVKMAXXLKYUMJA-HXUWFJFHSA-N 1 2 399.576 3.783 20 30 GHEDLO C[C@@H](c1ccc(Br)cc1)[NH+]1CCN(c2cccc(CC#N)n2)CC1 ZINC001255095162 1040778170 /nfs/dbraw/zinc/77/81/70/1040778170.db2.gz DRCBOBLCRQPUNZ-HNNXBMFYSA-N 1 2 385.309 3.793 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3c(F)cc(C#N)cc3F)CC[C@@H]21 ZINC001235653174 1041098188 /nfs/dbraw/zinc/09/81/88/1041098188.db2.gz FESOKJLESGSUIR-KSSFIOAISA-N 1 2 377.435 3.668 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3c(F)cc(C#N)cc3F)CC[C@@H]21 ZINC001235653174 1041098213 /nfs/dbraw/zinc/09/82/13/1041098213.db2.gz FESOKJLESGSUIR-KSSFIOAISA-N 1 2 377.435 3.668 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](Cc3c(Cl)c4ccccc4[nH]c3=O)CC2)c(F)c1 ZINC001237500162 1042237611 /nfs/dbraw/zinc/23/76/11/1042237611.db2.gz JMLKBJJAOAIZQF-UHFFFAOYSA-N 1 2 396.853 3.927 20 30 GHEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cc(C)c(F)cc2Br)C1 ZINC001237512982 1042244349 /nfs/dbraw/zinc/24/43/49/1042244349.db2.gz UHZUFPVRUONWKO-AWEZNQCLSA-N 1 2 385.277 3.773 20 30 GHEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cc(C)c(F)cc2Br)C1 ZINC001237512982 1042244353 /nfs/dbraw/zinc/24/43/53/1042244353.db2.gz UHZUFPVRUONWKO-AWEZNQCLSA-N 1 2 385.277 3.773 20 30 GHEDLO N#Cc1cc(C[N@H+]2CCC[C@@H](N3Cc4c(cccc4F)C3=O)C2)ccc1Cl ZINC001238196610 1042516247 /nfs/dbraw/zinc/51/62/47/1042516247.db2.gz UEHNQNPLTXQQIM-MRXNPFEDSA-N 1 2 383.854 3.971 20 30 GHEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H](N3Cc4c(cccc4F)C3=O)C2)ccc1Cl ZINC001238196610 1042516251 /nfs/dbraw/zinc/51/62/51/1042516251.db2.gz UEHNQNPLTXQQIM-MRXNPFEDSA-N 1 2 383.854 3.971 20 30 GHEDLO C=CC[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](c2ccccc2)C1)C(=O)OC ZINC001256936432 1043760394 /nfs/dbraw/zinc/76/03/94/1043760394.db2.gz GAGFLXHODOIGIZ-CEXWTWQISA-N 1 2 388.508 3.835 20 30 GHEDLO C=CCC[C@@H](NC(=O)/C=C\C[NH+]1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC001295383383 1044994827 /nfs/dbraw/zinc/99/48/27/1044994827.db2.gz AUGSATLUOYGZIF-WLPBJKJWSA-N 1 2 382.426 3.717 20 30 GHEDLO C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001301222257 1046413320 /nfs/dbraw/zinc/41/33/20/1046413320.db2.gz UFELKNUIPQOMRF-IBGZPJMESA-N 1 2 396.539 3.510 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC=C(COC)CC1 ZINC001263300823 1046698087 /nfs/dbraw/zinc/69/80/87/1046698087.db2.gz ARQDPHNVUNNKQY-IBGZPJMESA-N 1 2 395.551 3.830 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC=C(COC)CC1 ZINC001263300823 1046698095 /nfs/dbraw/zinc/69/80/95/1046698095.db2.gz ARQDPHNVUNNKQY-IBGZPJMESA-N 1 2 395.551 3.830 20 30 GHEDLO CC[C@@H](C)c1nnc(N(C)C[C@H](C)C#N)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001305377720 1048001497 /nfs/dbraw/zinc/00/14/97/1048001497.db2.gz SJDZHUDVRHQVEU-IAGOWNOFSA-N 1 2 383.544 3.677 20 30 GHEDLO CC[C@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1Cc1c[nH+]ccc1OC ZINC001305380348 1048002209 /nfs/dbraw/zinc/00/22/09/1048002209.db2.gz KRZWTJWXSJDLAX-INIZCTEOSA-N 1 2 390.491 3.752 20 30 GHEDLO CCCCCCCOC(=O)N1C[C@@H]2C[N@@H+](CCCC(F)(F)F)C[C@H](C1)O2 ZINC001280343841 1048194996 /nfs/dbraw/zinc/19/49/96/1048194996.db2.gz IIIXEPCETZVXKH-IYBDPMFKSA-N 1 2 380.451 3.821 20 30 GHEDLO CCCCCCCOC(=O)N1C[C@@H]2C[N@H+](CCCC(F)(F)F)C[C@H](C1)O2 ZINC001280343841 1048195018 /nfs/dbraw/zinc/19/50/18/1048195018.db2.gz IIIXEPCETZVXKH-IYBDPMFKSA-N 1 2 380.451 3.821 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(CCc3ccccc3)n2CC(C)(C)C(C)C)CC1 ZINC001286483565 1048337075 /nfs/dbraw/zinc/33/70/75/1048337075.db2.gz PUMHWRMSXHAFCY-UHFFFAOYSA-N 1 2 393.579 3.501 20 30 GHEDLO C=CCN(C)c1nnc(-c2cccc(OC)c2)n1CCCc1cccc(C)[nH+]1 ZINC001286718546 1048474712 /nfs/dbraw/zinc/47/47/12/1048474712.db2.gz NMDOABRVIPEKSF-UHFFFAOYSA-N 1 2 377.492 3.912 20 30 GHEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ccc([N+](=O)[O-])c(N)c2C#N)CC1 ZINC001306976984 1048989315 /nfs/dbraw/zinc/98/93/15/1048989315.db2.gz AQKVQPGSODEDLX-ZDUSSCGKSA-N 1 2 385.855 3.585 20 30 GHEDLO C#CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C(=O)OC)[C@@H]1CCc2ccccc21 ZINC001307428771 1049265682 /nfs/dbraw/zinc/26/56/82/1049265682.db2.gz GYZDJKLJALLJKL-GOSISDBHSA-N 1 2 396.512 3.713 20 30 GHEDLO C#CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C(=O)OC)[C@@H]1CCc2ccccc21 ZINC001307428771 1049265695 /nfs/dbraw/zinc/26/56/95/1049265695.db2.gz GYZDJKLJALLJKL-GOSISDBHSA-N 1 2 396.512 3.713 20 30 GHEDLO Clc1ccc(C#CC[NH+]2CCN(c3ccc(Br)cn3)CC2)cc1 ZINC001307563769 1049404458 /nfs/dbraw/zinc/40/44/58/1049404458.db2.gz VIRLHCQMRHLGKS-UHFFFAOYSA-N 1 2 390.712 3.671 20 30 GHEDLO C#CCOCC[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1Oc1ccc(C)cc1 ZINC001307656780 1049482545 /nfs/dbraw/zinc/48/25/45/1049482545.db2.gz QFNVFBHADDPKDS-UHFFFAOYSA-N 1 2 386.879 3.961 20 30 GHEDLO C#CCOCC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1Oc1ccc(C)cc1 ZINC001307656780 1049482557 /nfs/dbraw/zinc/48/25/57/1049482557.db2.gz QFNVFBHADDPKDS-UHFFFAOYSA-N 1 2 386.879 3.961 20 30 GHEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](Cc2cnc(-c3ccccc3)o2)CC1 ZINC001307674169 1049495754 /nfs/dbraw/zinc/49/57/54/1049495754.db2.gz CLVAGLDUKVVVTI-NRFANRHFSA-N 1 2 376.435 3.863 20 30 GHEDLO C#CC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCCc2ccccc21 ZINC001308104267 1049850383 /nfs/dbraw/zinc/85/03/83/1049850383.db2.gz PPBPHRRFDDJMFY-FQEVSTJZSA-N 1 2 393.443 3.555 20 30 GHEDLO C#CC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCCc2ccccc21 ZINC001308104267 1049850392 /nfs/dbraw/zinc/85/03/92/1049850392.db2.gz PPBPHRRFDDJMFY-FQEVSTJZSA-N 1 2 393.443 3.555 20 30 GHEDLO N#Cc1cc(F)cc(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)c1 ZINC001311104664 1051860230 /nfs/dbraw/zinc/86/02/30/1051860230.db2.gz XZVAULAVIKIZLN-UXHICEINSA-N 1 2 375.407 3.944 20 30 GHEDLO C=CC[C@@H]1N(C(=O)NC[C@H]2C[N@H+](Cc3cccc(C)c3)CCO2)CCCC1(C)C ZINC001313165428 1052974022 /nfs/dbraw/zinc/97/40/22/1052974022.db2.gz UNEXICRNOUXMBU-VXKWHMMOSA-N 1 2 399.579 3.972 20 30 GHEDLO C=CC[C@@H]1N(C(=O)NC[C@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)CCCC1(C)C ZINC001313165428 1052974023 /nfs/dbraw/zinc/97/40/23/1052974023.db2.gz UNEXICRNOUXMBU-VXKWHMMOSA-N 1 2 399.579 3.972 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 ZINC001342299673 1053086244 /nfs/dbraw/zinc/08/62/44/1053086244.db2.gz QSRGKWGBEDSAGZ-TYPHKJRUSA-N 1 2 395.551 3.805 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 ZINC001342299673 1053086269 /nfs/dbraw/zinc/08/62/69/1053086269.db2.gz QSRGKWGBEDSAGZ-TYPHKJRUSA-N 1 2 395.551 3.805 20 30 GHEDLO CCOCCCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)c1ccccc1 ZINC001342470750 1053186925 /nfs/dbraw/zinc/18/69/25/1053186925.db2.gz SCFOJSRMGSNHBU-UHFFFAOYSA-N 1 2 396.539 3.566 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCCO[C@H](c2ccccc2)C1 ZINC001342674749 1053292808 /nfs/dbraw/zinc/29/28/08/1053292808.db2.gz REDZFNXNPDGYBR-UXHICEINSA-N 1 2 381.524 3.589 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCCO[C@H](c2ccccc2)C1 ZINC001342674749 1053292818 /nfs/dbraw/zinc/29/28/18/1053292818.db2.gz REDZFNXNPDGYBR-UXHICEINSA-N 1 2 381.524 3.589 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC[C@](C)(OC)C1 ZINC001342705862 1053310424 /nfs/dbraw/zinc/31/04/24/1053310424.db2.gz ATGFFUNPBXGBTC-NQIIRXRSSA-N 1 2 386.544 3.692 20 30 GHEDLO CC(C)Cn1c(Cc2[nH+]ccn2Cc2ccccc2)nnc1N(C)[C@H](C)CC#N ZINC001344520884 1054539137 /nfs/dbraw/zinc/53/91/37/1054539137.db2.gz WDBUYPAAYOZUGI-GOSISDBHSA-N 1 2 391.523 3.508 20 30 GHEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)C1 ZINC001319288433 1055159001 /nfs/dbraw/zinc/15/90/01/1055159001.db2.gz AQOODDQNJRAEMI-QFIPXVFZSA-N 1 2 383.495 3.915 20 30 GHEDLO C=CCn1cnn(CN2CC[NH+]([C@H](CC)c3ccc(F)cc3F)CC2)c1=S ZINC001322074757 1056504459 /nfs/dbraw/zinc/50/44/59/1056504459.db2.gz HEBUNLCNDCOHLH-GOSISDBHSA-N 1 2 393.507 3.605 20 30 GHEDLO N#Cc1cnc(NC[C@@H](c2ccco2)[NH+]2CCCCC2)c(Br)c1 ZINC001472636596 1056586985 /nfs/dbraw/zinc/58/69/85/1056586985.db2.gz LINYTLJHORFOFF-HNNXBMFYSA-N 1 2 375.270 3.948 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(C3CCCC3)n2C[C@H]2CCCCC2(F)F)CC1 ZINC001300698727 1056908872 /nfs/dbraw/zinc/90/88/72/1056908872.db2.gz ZEKRIRWPWDCFOU-GOSISDBHSA-N 1 2 391.510 3.516 20 30 GHEDLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1csc(C#N)c1 ZINC001326814588 1057562852 /nfs/dbraw/zinc/56/28/52/1057562852.db2.gz KRPHBJVGQNMBGH-QRWLVFNGSA-N 1 2 382.533 3.696 20 30 GHEDLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1csc(C#N)c1 ZINC001326814588 1057562854 /nfs/dbraw/zinc/56/28/54/1057562854.db2.gz KRPHBJVGQNMBGH-QRWLVFNGSA-N 1 2 382.533 3.696 20 30 GHEDLO C=CCSc1ccccc1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001440485865 1058524329 /nfs/dbraw/zinc/52/43/29/1058524329.db2.gz XRVWYJRFUBUMNL-UHFFFAOYSA-N 1 2 382.529 3.802 20 30 GHEDLO CCN(C(=O)[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC001442216250 1058933425 /nfs/dbraw/zinc/93/34/25/1058933425.db2.gz QAEUEZSHUOVQCR-HTAPYJJXSA-N 1 2 377.488 3.751 20 30 GHEDLO CCN(C(=O)[C@H]1CC[N@H+]1Cc1ccc(OC)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC001442216250 1058933430 /nfs/dbraw/zinc/93/34/30/1058933430.db2.gz QAEUEZSHUOVQCR-HTAPYJJXSA-N 1 2 377.488 3.751 20 30 GHEDLO COc1ccccc1Nc1nc(Cl)c(C=[NH+]NCC2CCOCC2)s1 ZINC001339160308 1058987374 /nfs/dbraw/zinc/98/73/74/1058987374.db2.gz CATBCUNMAMZRLJ-UHFFFAOYSA-N 1 2 380.901 3.899 20 30 GHEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@H]1/C=C/c1ccccc1 ZINC001339630480 1059357742 /nfs/dbraw/zinc/35/77/42/1059357742.db2.gz ZAKSRSMZESBYEJ-ZJVMWOEPSA-N 1 2 390.535 3.590 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCc2ccsc2[C@H]1C ZINC001340626678 1060001128 /nfs/dbraw/zinc/00/11/28/1060001128.db2.gz AUBIQSOYHCAACN-MRXNPFEDSA-N 1 2 396.564 3.742 20 30 GHEDLO C[C@@H]1CCCN1c1nnc(C2CC[NH+](CCC#N)CC2)n1CCc1ccccc1 ZINC001340767443 1060109210 /nfs/dbraw/zinc/10/92/10/1060109210.db2.gz HPIGEUGIDHODBY-LJQANCHMSA-N 1 2 392.551 3.603 20 30 GHEDLO Cc1cc(C)c(C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c(C)[nH+]1 ZINC001448841493 1060278738 /nfs/dbraw/zinc/27/87/38/1060278738.db2.gz WFCIYFNHQMZLLP-LJQANCHMSA-N 1 2 382.895 3.683 20 30 GHEDLO CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1Cc2ccc(C#N)cc2C1 ZINC001341034483 1060345302 /nfs/dbraw/zinc/34/53/02/1060345302.db2.gz AZCNZFOMRFFTOL-QGZVFWFLSA-N 1 2 386.503 3.883 20 30 GHEDLO CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1Cc2ccc(C#N)cc2C1 ZINC001341034483 1060345317 /nfs/dbraw/zinc/34/53/17/1060345317.db2.gz AZCNZFOMRFFTOL-QGZVFWFLSA-N 1 2 386.503 3.883 20 30 GHEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@@H]1c1cccc(OC)c1 ZINC001341756647 1060865941 /nfs/dbraw/zinc/86/59/41/1060865941.db2.gz YHEFIIQXNFFOIV-LJQANCHMSA-N 1 2 392.507 3.529 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N(C)CC1(C)COC1 ZINC001341901688 1060943491 /nfs/dbraw/zinc/94/34/91/1060943491.db2.gz DELHCMVXQZFDEP-SFHVURJKSA-N 1 2 383.540 3.520 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N(C)CC1(C)COC1 ZINC001341901688 1060943495 /nfs/dbraw/zinc/94/34/95/1060943495.db2.gz DELHCMVXQZFDEP-SFHVURJKSA-N 1 2 383.540 3.520 20 30 GHEDLO CC[N@H+](Cc1ccc(C(O)=C(C#N)c2nc(N)c3ccccc3n2)cc1)C(C)C ZINC001341932079 1060956593 /nfs/dbraw/zinc/95/65/93/1060956593.db2.gz YZVVUNFLLNUNPM-IBGZPJMESA-N 1 2 387.487 3.932 20 30 GHEDLO CC[N@@H+](Cc1ccc(C(O)=C(C#N)c2nc(N)c3ccccc3n2)cc1)C(C)C ZINC001341932079 1060956597 /nfs/dbraw/zinc/95/65/97/1060956597.db2.gz YZVVUNFLLNUNPM-IBGZPJMESA-N 1 2 387.487 3.932 20 30 GHEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC[C@@H]1c1cccc(F)c1 ZINC001342022075 1061002272 /nfs/dbraw/zinc/00/22/72/1061002272.db2.gz XTEHITUSWIPEOZ-WOJBJXKFSA-N 1 2 399.514 3.726 20 30 GHEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC[C@@H]1c1cccc(F)c1 ZINC001342022075 1061002290 /nfs/dbraw/zinc/00/22/90/1061002290.db2.gz XTEHITUSWIPEOZ-WOJBJXKFSA-N 1 2 399.514 3.726 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@@H+]2Cc2ccccc2)nnc1N1CCC(C#N)CC1 ZINC001342232648 1061159968 /nfs/dbraw/zinc/15/99/68/1061159968.db2.gz MCWOVLHDVKIXKJ-OAQYLSRUSA-N 1 2 390.535 3.931 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@H+]2Cc2ccccc2)nnc1N1CCC(C#N)CC1 ZINC001342232648 1061159977 /nfs/dbraw/zinc/15/99/77/1061159977.db2.gz MCWOVLHDVKIXKJ-OAQYLSRUSA-N 1 2 390.535 3.931 20 30 GHEDLO CN(C)c1[nH+]cccc1/C=C/C(=O)c1ccc(I)cc1 ZINC001342256476 1061179661 /nfs/dbraw/zinc/17/96/61/1061179661.db2.gz ZPTIWRMTZXVCRB-JXMROGBWSA-N 1 2 378.213 3.648 20 30 GHEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC001345994311 1061271369 /nfs/dbraw/zinc/27/13/69/1061271369.db2.gz OLMGGTVEMRFAIB-AWEZNQCLSA-N 1 2 386.450 3.654 20 30 GHEDLO OC[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC001459462262 1064104749 /nfs/dbraw/zinc/10/47/49/1064104749.db2.gz BAEDOWALILIJFS-NRFANRHFSA-N 1 2 389.326 3.696 20 30 GHEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](CCc2ccccc2Cl)CC1 ZINC001459692725 1064173175 /nfs/dbraw/zinc/17/31/75/1064173175.db2.gz LJLSPXWTJUDARZ-UHFFFAOYSA-N 1 2 382.851 3.824 20 30 GHEDLO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1Br ZINC001460066683 1064394282 /nfs/dbraw/zinc/39/42/82/1064394282.db2.gz SINLBGWUKBUWFI-INIZCTEOSA-N 1 2 394.313 3.811 20 30 GHEDLO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Br ZINC001460066683 1064394291 /nfs/dbraw/zinc/39/42/91/1064394291.db2.gz SINLBGWUKBUWFI-INIZCTEOSA-N 1 2 394.313 3.811 20 30 GHEDLO C#Cc1cccc(N(C)C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000847126456 1064741803 /nfs/dbraw/zinc/74/18/03/1064741803.db2.gz WSHNGZJPAGYVFY-HDICACEKSA-N 1 2 377.488 3.945 20 30 GHEDLO C#Cc1cccc(N(C)C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000847126456 1064741813 /nfs/dbraw/zinc/74/18/13/1064741813.db2.gz WSHNGZJPAGYVFY-HDICACEKSA-N 1 2 377.488 3.945 20 30 GHEDLO N#Cc1ccc(Cc2cnc(NC(=O)Cc3c[nH]c[nH+]3)s2)c(C(F)(F)F)c1 ZINC001464294606 1064945341 /nfs/dbraw/zinc/94/53/41/1064945341.db2.gz MUCJOMSGVKVZES-UHFFFAOYSA-N 1 2 391.378 3.529 20 30 GHEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC001465431724 1065607767 /nfs/dbraw/zinc/60/77/67/1065607767.db2.gz OZOOHVVYBHMHGQ-MRXNPFEDSA-N 1 2 388.431 3.500 20 30 GHEDLO N#Cc1cc(NC(=O)NCc2ccccc2C[NH+]2CCOCC2)ccc1C1CC1 ZINC001467205820 1067151071 /nfs/dbraw/zinc/15/10/71/1067151071.db2.gz LWRGAJTYJQMCDR-UHFFFAOYSA-N 1 2 390.487 3.590 20 30 GHEDLO C[N@@H+]1CCCC[C@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccccc1 ZINC001357660710 1067219268 /nfs/dbraw/zinc/21/92/68/1067219268.db2.gz RAZBXULRVJZQLH-SIKLNZKXSA-N 1 2 378.524 3.613 20 30 GHEDLO C[N@H+]1CCCC[C@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccccc1 ZINC001357660710 1067219285 /nfs/dbraw/zinc/21/92/85/1067219285.db2.gz RAZBXULRVJZQLH-SIKLNZKXSA-N 1 2 378.524 3.613 20 30 GHEDLO C#CC[N@@H+](CC(=O)Nc1cccc2nsnc21)[C@@H]1CCCc2ccccc21 ZINC001473826551 1067576702 /nfs/dbraw/zinc/57/67/02/1067576702.db2.gz RXCIDJFVPAQVQA-LJQANCHMSA-N 1 2 376.485 3.643 20 30 GHEDLO C#CC[N@H+](CC(=O)Nc1cccc2nsnc21)[C@@H]1CCCc2ccccc21 ZINC001473826551 1067576706 /nfs/dbraw/zinc/57/67/06/1067576706.db2.gz RXCIDJFVPAQVQA-LJQANCHMSA-N 1 2 376.485 3.643 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCC=C)CC1 ZINC001359031947 1067659419 /nfs/dbraw/zinc/65/94/19/1067659419.db2.gz VNQQLTCRODKERA-UHFFFAOYSA-N 1 2 391.563 3.964 20 30 GHEDLO C[C@H](CC#N)N(C)c1nnc(CC2CCCC2)n1CCc1cn2ccccc2[nH+]1 ZINC001360481670 1068527486 /nfs/dbraw/zinc/52/74/86/1068527486.db2.gz USGSHHUMKLHNFB-QGZVFWFLSA-N 1 2 391.523 3.640 20 30 GHEDLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)[C@H]2CCCC[C@@H]12 ZINC001460358090 1068939835 /nfs/dbraw/zinc/93/98/35/1068939835.db2.gz BTZGVUQSFQKJEZ-KSZLIROESA-N 1 2 391.309 3.874 20 30 GHEDLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)[C@H]2CCCC[C@@H]12 ZINC001460358090 1068939837 /nfs/dbraw/zinc/93/98/37/1068939837.db2.gz BTZGVUQSFQKJEZ-KSZLIROESA-N 1 2 391.309 3.874 20 30 GHEDLO C=CCCC1(CNC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CCCC1 ZINC001470793961 1072742643 /nfs/dbraw/zinc/74/26/43/1072742643.db2.gz NMMRBCOWVDFVAT-UHFFFAOYSA-N 1 2 388.581 3.961 20 30 GHEDLO C=CCn1cc2ccc(NC(=O)[C@@H]3CCCC[N@@H+]3Cc3cccnc3)cc2n1 ZINC001472036237 1073313163 /nfs/dbraw/zinc/31/31/63/1073313163.db2.gz GLIWVOUMPQNGKV-NRFANRHFSA-N 1 2 375.476 3.611 20 30 GHEDLO C=CCn1cc2ccc(NC(=O)[C@@H]3CCCC[N@H+]3Cc3cccnc3)cc2n1 ZINC001472036237 1073313165 /nfs/dbraw/zinc/31/31/65/1073313165.db2.gz GLIWVOUMPQNGKV-NRFANRHFSA-N 1 2 375.476 3.611 20 30 GHEDLO N#Cc1ncc(NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)nc1C#N ZINC001472687995 1073619395 /nfs/dbraw/zinc/61/93/95/1073619395.db2.gz NNAGHLILRLGFPQ-UHFFFAOYSA-N 1 2 391.438 3.744 20 30 GHEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)c1cc(C)c(C#N)cn1 ZINC001472725463 1073638155 /nfs/dbraw/zinc/63/81/55/1073638155.db2.gz LIHDTUOZFPMEGC-UHFFFAOYSA-N 1 2 375.476 3.954 20 30 GHEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC001473188518 1073842114 /nfs/dbraw/zinc/84/21/14/1073842114.db2.gz BASGCOUWOYRGPZ-MRXNPFEDSA-N 1 2 382.895 3.529 20 30 GHEDLO CCN(CC)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC001473448964 1073968216 /nfs/dbraw/zinc/96/82/16/1073968216.db2.gz NVBHYGNLFZGQLS-QGZVFWFLSA-N 1 2 395.450 3.993 20 30 GHEDLO CCN(CC)C(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC001473448964 1073968220 /nfs/dbraw/zinc/96/82/20/1073968220.db2.gz NVBHYGNLFZGQLS-QGZVFWFLSA-N 1 2 395.450 3.993 20 30 GHEDLO Cc1nsc(N2CC[NH+](CCOc3cc(Cl)cc(Cl)c3)CC2)c1C#N ZINC001473516923 1073997728 /nfs/dbraw/zinc/99/77/28/1073997728.db2.gz UZMNNLGNOLDJMQ-UHFFFAOYSA-N 1 2 397.331 3.831 20 30 GHEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(Cc2nc(-c3ccc(F)cn3)no2)CC1 ZINC001473782408 1074140136 /nfs/dbraw/zinc/14/01/36/1074140136.db2.gz RIFMIEIWHHPCGF-UHFFFAOYSA-N 1 2 395.413 3.736 20 30 GHEDLO COC(=O)c1cc(Br)oc1C[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC001474471137 1074421753 /nfs/dbraw/zinc/42/17/53/1074421753.db2.gz UNXKAYRGNVGLSI-UHFFFAOYSA-N 1 2 383.629 3.644 20 30 GHEDLO C=CC[N@@H+](Cc1nc2ccccc2n1CCC)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823914672 608632352 /nfs/dbraw/zinc/63/23/52/608632352.db2.gz LOYUAIUDDZTSBB-UHFFFAOYSA-N 1 2 387.491 3.815 20 30 GHEDLO C=CC[N@H+](Cc1nc2ccccc2n1CCC)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823914672 608632356 /nfs/dbraw/zinc/63/23/56/608632356.db2.gz LOYUAIUDDZTSBB-UHFFFAOYSA-N 1 2 387.491 3.815 20 30 GHEDLO N#CC1(NC(=O)C[NH+]2CCC(Oc3ccccc3Cl)CC2)CCCCC1 ZINC000157303618 834852362 /nfs/dbraw/zinc/85/23/62/834852362.db2.gz NWTPJSKJJRPYFU-UHFFFAOYSA-N 1 2 375.900 3.526 20 30 GHEDLO COc1ccc(CN2CCc3c2nc[nH+]c3NCCc2ccc(C#N)cc2)cc1 ZINC001167677007 834870148 /nfs/dbraw/zinc/87/01/48/834870148.db2.gz PGIBULYMMABOAU-UHFFFAOYSA-N 1 2 385.471 3.574 20 30 GHEDLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000611793750 835195972 /nfs/dbraw/zinc/19/59/72/835195972.db2.gz DUIBALPAHVUTRT-UHFFFAOYSA-N 1 2 383.267 3.938 20 30 GHEDLO COc1cc(C#N)ccc1OCCN1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000578102904 835235692 /nfs/dbraw/zinc/23/56/92/835235692.db2.gz FGTWROLMGWQZMZ-QGZVFWFLSA-N 1 2 399.922 3.978 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3ccc4sccc4c3)CC2)cc1 ZINC000584058456 835522426 /nfs/dbraw/zinc/52/24/26/835522426.db2.gz YEWNJUMKKQLVFA-UHFFFAOYSA-N 1 2 390.512 3.800 20 30 GHEDLO N#Cc1ccc(OCc2ccc(C(=O)NCc3ccccc3-n3cc[nH+]c3)o2)cc1 ZINC000102784605 835946153 /nfs/dbraw/zinc/94/61/53/835946153.db2.gz OEETVYPLIMGCAX-UHFFFAOYSA-N 1 2 398.422 3.846 20 30 GHEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1 ZINC000584478325 836202774 /nfs/dbraw/zinc/20/27/74/836202774.db2.gz PAIZEFURKMQAGV-WMZOPIPTSA-N 1 2 390.443 3.985 20 30 GHEDLO N#Cc1ccc(C[NH2+][C@H](CO)c2ccc(Br)cc2C(F)(F)F)o1 ZINC000280286458 836485014 /nfs/dbraw/zinc/48/50/14/836485014.db2.gz NURAAOWEIMLONT-CQSZACIVSA-N 1 2 389.171 3.756 20 30 GHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000416096193 838537255 /nfs/dbraw/zinc/53/72/55/838537255.db2.gz HOLVSBSUDSACAH-SFHVURJKSA-N 1 2 380.398 3.688 20 30 GHEDLO C=CCOc1ccc(-c2nn(CN3CCC(n4cc[nH+]c4)CC3)c(=S)o2)cc1 ZINC000160371802 838859812 /nfs/dbraw/zinc/85/98/12/838859812.db2.gz JLQCAPJYYFDINE-UHFFFAOYSA-N 1 2 397.504 3.928 20 30 GHEDLO Cc1ccc(CC(=O)N2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)cc1 ZINC000092937475 839586103 /nfs/dbraw/zinc/58/61/03/839586103.db2.gz NXGYMDAGKJBFEZ-UHFFFAOYSA-N 1 2 391.515 3.565 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c1C ZINC000024856518 844491787 /nfs/dbraw/zinc/49/17/87/844491787.db2.gz FGXZQYVYQWPACK-UHFFFAOYSA-N 1 2 379.504 3.824 20 30 GHEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)N[C@@H](CCCC#N)c2ccccc2)C1 ZINC000458808633 840284386 /nfs/dbraw/zinc/28/43/86/840284386.db2.gz ZGPMDHCAJGBJNC-QUCCMNQESA-N 1 2 379.508 3.819 20 30 GHEDLO CCN(CC)C(=O)COc1ccc(C(=O)/C=C\c2c[nH+]c3ccc(C)cn23)cc1 ZINC000255247151 840519629 /nfs/dbraw/zinc/51/96/29/840519629.db2.gz OGJAALIWUOPBFR-XFXZXTDPSA-N 1 2 391.471 3.786 20 30 GHEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)n2c1 ZINC000255285874 840950406 /nfs/dbraw/zinc/95/04/06/840950406.db2.gz IBGSMYIABXHZPE-WAYWQWQTSA-N 1 2 380.360 3.972 20 30 GHEDLO C=CCC(C)(C)C(=O)N1CC[NH+](CCCc2nc(-c3ccc(C)cc3)no2)CC1 ZINC000431954268 840975327 /nfs/dbraw/zinc/97/53/27/840975327.db2.gz PJNUKMFXIUZLOY-UHFFFAOYSA-N 1 2 396.535 3.724 20 30 GHEDLO N#CCn1c(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)cc2ccccc21 ZINC000609475419 842081194 /nfs/dbraw/zinc/08/11/94/842081194.db2.gz BQRDUWGOVJYLGJ-UHFFFAOYSA-N 1 2 399.454 3.714 20 30 GHEDLO CCOc1ccc([C@H](C)NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000054093393 842313547 /nfs/dbraw/zinc/31/35/47/842313547.db2.gz UHMKOGWSHJBNMT-SFHVURJKSA-N 1 2 392.503 3.545 20 30 GHEDLO C[C@H](NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccc(C#N)cc1 ZINC000278987253 842427046 /nfs/dbraw/zinc/42/70/46/842427046.db2.gz DLGUDVYZVKMXIF-INIZCTEOSA-N 1 2 377.492 3.741 20 30 GHEDLO N#Cc1cnc2c(F)ccc(Cl)c2c1N1CC[NH+](Cc2ccccn2)CC1 ZINC000178246911 842599143 /nfs/dbraw/zinc/59/91/43/842599143.db2.gz NRVVYLRGHMBSGD-UHFFFAOYSA-N 1 2 381.842 3.616 20 30 GHEDLO Cc1nnc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)n1C1CC1 ZINC000329365322 861331514 /nfs/dbraw/zinc/33/15/14/861331514.db2.gz GJCPYHDIMBTZMS-MRXNPFEDSA-N 1 2 397.527 3.802 20 30 GHEDLO Cc1nnc(C[N@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)n1C1CC1 ZINC000329365322 861331536 /nfs/dbraw/zinc/33/15/36/861331536.db2.gz GJCPYHDIMBTZMS-MRXNPFEDSA-N 1 2 397.527 3.802 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000512214146 843111308 /nfs/dbraw/zinc/11/13/08/843111308.db2.gz UWFGPPHRMXGVNH-LJQANCHMSA-N 1 2 392.858 3.748 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000512214146 843111316 /nfs/dbraw/zinc/11/13/16/843111316.db2.gz UWFGPPHRMXGVNH-LJQANCHMSA-N 1 2 392.858 3.748 20 30 GHEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000599644299 861440865 /nfs/dbraw/zinc/44/08/65/861440865.db2.gz QITYMPSAAUBMNH-UHFFFAOYSA-N 1 2 381.436 3.572 20 30 GHEDLO Cc1[nH+]cc(C2CC2)cc1Nc1ncc(C#N)cc1I ZINC001213491176 843803644 /nfs/dbraw/zinc/80/36/44/843803644.db2.gz ARRGXPHBPDMAEN-UHFFFAOYSA-N 1 2 376.201 3.882 20 30 GHEDLO Cc1ccc(OCC(=O)N2CC[NH+](Cc3ccc(C(C)(C)C#N)cc3)CC2)cc1 ZINC000614163042 844808354 /nfs/dbraw/zinc/80/83/54/844808354.db2.gz SJUOLOIAFHXGLP-UHFFFAOYSA-N 1 2 391.515 3.519 20 30 GHEDLO C=CCNC(=O)C[NH2+][C@@H](c1ccc(Br)cc1)c1ccccc1F ZINC000181161780 844819874 /nfs/dbraw/zinc/81/98/74/844819874.db2.gz MXVXKVGTKQOGME-SFHVURJKSA-N 1 2 377.257 3.569 20 30 GHEDLO Cc1cccnc1C[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000181440396 844989868 /nfs/dbraw/zinc/98/98/68/844989868.db2.gz YWANPEBZXFTCHW-IBGZPJMESA-N 1 2 385.309 3.535 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1c(F)cncc1F ZINC000513247271 845117053 /nfs/dbraw/zinc/11/70/53/845117053.db2.gz MGIZSWVQQRJPGC-STQMWFEESA-N 1 2 390.459 3.901 20 30 GHEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000329503008 861554874 /nfs/dbraw/zinc/55/48/74/861554874.db2.gz YXUSJDZMILEFBA-NVXWUHKLSA-N 1 2 379.460 3.927 20 30 GHEDLO CC(C)(C)c1nc(CO[NH+]=C(N)c2ccc(OCc3ccccc3)cc2)no1 ZINC000731445264 861620670 /nfs/dbraw/zinc/62/06/70/861620670.db2.gz AXPYQKBVGZHTAK-UHFFFAOYSA-N 1 2 380.448 3.783 20 30 GHEDLO CC(C)Oc1ccc(NC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)cc1C#N ZINC000157781874 846178433 /nfs/dbraw/zinc/17/84/33/846178433.db2.gz LPNCDVNEUAZGMC-QGZVFWFLSA-N 1 2 393.491 3.651 20 30 GHEDLO Cn1c2ccc(NS(=O)(=O)c3ccc(C#N)c(Cl)c3)cc2[nH+]c1C1CC1 ZINC000131810396 861708893 /nfs/dbraw/zinc/70/88/93/861708893.db2.gz YSUMRNPFQJOEKW-UHFFFAOYSA-N 1 2 386.864 3.777 20 30 GHEDLO N#Cc1cccc(S(=O)(=O)CC[NH2+]C2(c3c(Cl)cccc3Cl)CC2)c1 ZINC000540428722 846726609 /nfs/dbraw/zinc/72/66/09/846726609.db2.gz VQPBZCZNWRHUJP-UHFFFAOYSA-N 1 2 395.311 3.918 20 30 GHEDLO COc1cc(NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c(F)cc1C#N ZINC000599814869 861714642 /nfs/dbraw/zinc/71/46/42/861714642.db2.gz OFLJAILIKOUSFL-ZDUSSCGKSA-N 1 2 388.468 3.678 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)C(C)(C)Oc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000127645221 847197154 /nfs/dbraw/zinc/19/71/54/847197154.db2.gz IJSGHYCRLDJFLW-VQTJNVASSA-N 1 2 399.441 3.555 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)C(C)(C)Oc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000127645221 847197162 /nfs/dbraw/zinc/19/71/62/847197162.db2.gz IJSGHYCRLDJFLW-VQTJNVASSA-N 1 2 399.441 3.555 20 30 GHEDLO Cc1cc(Br)cn2c(CN(CCC#N)Cc3cccnc3)c[nH+]c12 ZINC000273482800 847351205 /nfs/dbraw/zinc/35/12/05/847351205.db2.gz LLWFBZGKHPBNAO-UHFFFAOYSA-N 1 2 384.281 3.716 20 30 GHEDLO N#Cc1ccccc1COc1ccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000161303209 847471961 /nfs/dbraw/zinc/47/19/61/847471961.db2.gz XCJGWGMXGFUTMT-NRFANRHFSA-N 1 2 398.466 3.541 20 30 GHEDLO N#Cc1c(C#N)c2c(nc1NCc1ccc(Cn3cc[nH+]c3)cc1)CCCCCC2 ZINC000479401981 847626539 /nfs/dbraw/zinc/62/65/39/847626539.db2.gz ZOSNQRVTHAWTHE-UHFFFAOYSA-N 1 2 396.498 3.763 20 30 GHEDLO C=CCNC(=O)c1cccc(-c2noc([C@H](c3cccc(Cl)c3)[NH+](C)C)n2)c1 ZINC000582571556 847662955 /nfs/dbraw/zinc/66/29/55/847662955.db2.gz KPZZLTYNSININD-SFHVURJKSA-N 1 2 396.878 3.957 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3CCC(C(F)(F)F)CC3)CC2)cc1 ZINC000277766686 847910844 /nfs/dbraw/zinc/91/08/44/847910844.db2.gz DLXPXJLPJXAJKD-UHFFFAOYSA-N 1 2 379.426 3.571 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000583130336 849137940 /nfs/dbraw/zinc/13/79/40/849137940.db2.gz LJSFIHHAUCLAJV-UTKZUKDTSA-N 1 2 375.472 3.739 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000583130336 849137947 /nfs/dbraw/zinc/13/79/47/849137947.db2.gz LJSFIHHAUCLAJV-UTKZUKDTSA-N 1 2 375.472 3.739 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+]2CCC[C@H]2C[C@H](C)O)c1=S ZINC000155460070 849521673 /nfs/dbraw/zinc/52/16/73/849521673.db2.gz JXPMCYPNZRYVNF-YOEHRIQHSA-N 1 2 376.501 3.599 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+]2CCC[C@H]2C[C@H](C)O)c1=S ZINC000155460070 849521680 /nfs/dbraw/zinc/52/16/80/849521680.db2.gz JXPMCYPNZRYVNF-YOEHRIQHSA-N 1 2 376.501 3.599 20 30 GHEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC1 ZINC000180259171 862042689 /nfs/dbraw/zinc/04/26/89/862042689.db2.gz ANLZRNPKEUAHIU-KRWDZBQOSA-N 1 2 377.463 3.900 20 30 GHEDLO CC(C)c1ccccc1NC(=O)[C@@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000027538160 850313934 /nfs/dbraw/zinc/31/39/34/850313934.db2.gz LAQUSJMEFFKUNC-LJQANCHMSA-N 1 2 390.531 3.826 20 30 GHEDLO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CCOCC1 ZINC000424770785 850687712 /nfs/dbraw/zinc/68/77/12/850687712.db2.gz NWUWTVCYRHSDCR-MSOLQXFVSA-N 1 2 380.891 3.713 20 30 GHEDLO C=CCC1(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CCOCC1 ZINC000424770785 850687720 /nfs/dbraw/zinc/68/77/20/850687720.db2.gz NWUWTVCYRHSDCR-MSOLQXFVSA-N 1 2 380.891 3.713 20 30 GHEDLO N#Cc1ccc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1Br ZINC000487926504 850997287 /nfs/dbraw/zinc/99/72/87/850997287.db2.gz YEWUNMKPWJRUMM-UHFFFAOYSA-N 1 2 396.248 3.828 20 30 GHEDLO N#Cc1cccc(NCC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)c1 ZINC000436019957 851129018 /nfs/dbraw/zinc/12/90/18/851129018.db2.gz DCYGWYKWMBXJOI-UHFFFAOYSA-N 1 2 393.878 3.549 20 30 GHEDLO CC(C)(C)N(Cc1ccccc1)C(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507304380 852781446 /nfs/dbraw/zinc/78/14/46/852781446.db2.gz LJXLOHAOQXBOEQ-UHFFFAOYSA-N 1 2 390.531 3.508 20 30 GHEDLO O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N1CCC(Oc2ccccc2Cl)CC1 ZINC000329902570 862409801 /nfs/dbraw/zinc/40/98/01/862409801.db2.gz PNLMCFCVOVNNLS-HNNXBMFYSA-N 1 2 388.899 3.556 20 30 GHEDLO C[C@H](NC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1)c1cc2cccc(F)c2o1 ZINC000329930202 862433909 /nfs/dbraw/zinc/43/39/09/862433909.db2.gz OGZPIJAJVQPUGY-WPKBUWHJSA-N 1 2 386.427 3.790 20 30 GHEDLO C=CCCC[C@@H](C)NC(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000556036016 862441028 /nfs/dbraw/zinc/44/10/28/862441028.db2.gz IWANFWULALOAMC-MRXNPFEDSA-N 1 2 380.492 3.686 20 30 GHEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000055102500 853645395 /nfs/dbraw/zinc/64/53/95/853645395.db2.gz OMRHGPFHHCTYMH-LJQANCHMSA-N 1 2 389.499 3.917 20 30 GHEDLO C#Cc1cccc(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)c1 ZINC000156593005 853888873 /nfs/dbraw/zinc/88/88/73/853888873.db2.gz FQCZBZOQRMIKQG-WOJBJXKFSA-N 1 2 383.879 3.515 20 30 GHEDLO C#Cc1cccc(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000156593005 853888876 /nfs/dbraw/zinc/88/88/76/853888876.db2.gz FQCZBZOQRMIKQG-WOJBJXKFSA-N 1 2 383.879 3.515 20 30 GHEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)Cc2cn3cccc(C)c3[nH+]2)cc1 ZINC000588367888 854312643 /nfs/dbraw/zinc/31/26/43/854312643.db2.gz AETLUVZZESZUQA-UHFFFAOYSA-N 1 2 388.471 3.638 20 30 GHEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330098650 862572179 /nfs/dbraw/zinc/57/21/79/862572179.db2.gz CDSZPMORPWTBFR-AQWHGDEOSA-N 1 2 376.541 3.570 20 30 GHEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330098650 862572185 /nfs/dbraw/zinc/57/21/85/862572185.db2.gz CDSZPMORPWTBFR-AQWHGDEOSA-N 1 2 376.541 3.570 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)NCC2(CCO)CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000328826948 854552827 /nfs/dbraw/zinc/55/28/27/854552827.db2.gz JLZWTVZPGCLAJN-ROUUACIJSA-N 1 2 397.922 3.671 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)NCC2(CCO)CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000328826948 854552830 /nfs/dbraw/zinc/55/28/30/854552830.db2.gz JLZWTVZPGCLAJN-ROUUACIJSA-N 1 2 397.922 3.671 20 30 GHEDLO CN(C[C@@H]1CCC[C@@H]1O)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000328848356 854574960 /nfs/dbraw/zinc/57/49/60/854574960.db2.gz RBCRELZIEDCTMJ-WBAXXEDZSA-N 1 2 397.922 3.623 20 30 GHEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)C2C3CC4CC(C3)CC2C4)CCC(=O)N1C1CC1 ZINC000328987025 854642579 /nfs/dbraw/zinc/64/25/79/854642579.db2.gz HGCGOOSJOWBHHJ-CNWRKWSXSA-N 1 2 396.535 3.643 20 30 GHEDLO O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000328993998 854644195 /nfs/dbraw/zinc/64/41/95/854644195.db2.gz UABKFODWRYXTRQ-AWEZNQCLSA-N 1 2 391.878 3.575 20 30 GHEDLO O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000328993998 854644204 /nfs/dbraw/zinc/64/42/04/854644204.db2.gz UABKFODWRYXTRQ-AWEZNQCLSA-N 1 2 391.878 3.575 20 30 GHEDLO N#C[C@@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)c1ccc(Cl)cc1 ZINC000159383500 862593535 /nfs/dbraw/zinc/59/35/35/862593535.db2.gz BDNWTFQUOKBPIN-MOPGFXCFSA-N 1 2 385.920 3.811 20 30 GHEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3C[C@H](C)S(=O)[C@@H](C)C3)sc2C1 ZINC000330133490 862602545 /nfs/dbraw/zinc/60/25/45/862602545.db2.gz RESDCMCOUFTOPR-RDBSUJKOSA-N 1 2 393.578 3.564 20 30 GHEDLO Cc1nc(NCc2cccc(C(=O)N(CCC#N)c3ccc(F)cc3)c2)cc[nH+]1 ZINC000572887004 855033673 /nfs/dbraw/zinc/03/36/73/855033673.db2.gz HOJDPTVCDSDIPX-UHFFFAOYSA-N 1 2 389.434 3.519 20 30 GHEDLO C[C@H]1CCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000130129852 855245806 /nfs/dbraw/zinc/24/58/06/855245806.db2.gz RAYCGCOJNGKILA-AVRDEDQJSA-N 1 2 385.471 3.793 20 30 GHEDLO C[C@@H]1CCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000130129671 855245836 /nfs/dbraw/zinc/24/58/36/855245836.db2.gz RAYCGCOJNGKILA-GCJKJVERSA-N 1 2 385.471 3.793 20 30 GHEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2c(F)cc(C#N)cc2F)c(C)c1 ZINC000441502725 855485546 /nfs/dbraw/zinc/48/55/46/855485546.db2.gz UVDGCAKJRSRMKW-LJQANCHMSA-N 1 2 380.398 3.821 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCSC[C@H]2C2CC2)c1C#N ZINC000590758708 855565867 /nfs/dbraw/zinc/56/58/67/855565867.db2.gz VHRVZMFXBVYDGS-IBGZPJMESA-N 1 2 386.565 3.858 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCSC[C@H]2C2CC2)c1C#N ZINC000590758708 855565872 /nfs/dbraw/zinc/56/58/72/855565872.db2.gz VHRVZMFXBVYDGS-IBGZPJMESA-N 1 2 386.565 3.858 20 30 GHEDLO N#Cc1nc(N2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)ccc1Cl ZINC000301207699 855639516 /nfs/dbraw/zinc/63/95/16/855639516.db2.gz QDOYJRUNELENSS-UHFFFAOYSA-N 1 2 380.801 3.948 20 30 GHEDLO CC(C)C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1ccc(C#N)cn1 ZINC000553970761 855712210 /nfs/dbraw/zinc/71/22/10/855712210.db2.gz DNVHKGYXANCCKR-FQEVSTJZSA-N 1 2 396.922 3.979 20 30 GHEDLO CC(C)C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1ccc(C#N)cn1 ZINC000553970761 855712212 /nfs/dbraw/zinc/71/22/12/855712212.db2.gz DNVHKGYXANCCKR-FQEVSTJZSA-N 1 2 396.922 3.979 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(-c4ncco4)cc3)CC2)cc1 ZINC000554068907 855771012 /nfs/dbraw/zinc/77/10/12/855771012.db2.gz XXOWGQZPFFMGRB-UHFFFAOYSA-N 1 2 387.443 3.563 20 30 GHEDLO CCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)c(Cl)c3)c2C1 ZINC000171346054 856097634 /nfs/dbraw/zinc/09/76/34/856097634.db2.gz HJIJSOKKALLMCQ-UHFFFAOYSA-N 1 2 375.881 3.738 20 30 GHEDLO CCC[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)c(Cl)c3)c2C1 ZINC000171346054 856097641 /nfs/dbraw/zinc/09/76/41/856097641.db2.gz HJIJSOKKALLMCQ-UHFFFAOYSA-N 1 2 375.881 3.738 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(Br)cc3)CC2)cc1 ZINC000043134097 856406689 /nfs/dbraw/zinc/40/66/89/856406689.db2.gz GUTHMOIILRLVFU-UHFFFAOYSA-N 1 2 399.292 3.670 20 30 GHEDLO C=CCSc1ccccc1C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000485455310 856551920 /nfs/dbraw/zinc/55/19/20/856551920.db2.gz OQCRSQAUCXKDJR-UHFFFAOYSA-N 1 2 399.535 3.656 20 30 GHEDLO CC(C)(C)OC(=O)N1CCN(c2ccc(N[C@@H]3CCC[C@@H](C#N)C3)[nH+]c2)CC1 ZINC000765938264 856567741 /nfs/dbraw/zinc/56/77/41/856567741.db2.gz ZMEXVTRPNLVMEY-IAGOWNOFSA-N 1 2 385.512 3.633 20 30 GHEDLO Cc1nc([C@H]2CCCOC2)sc1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000330304028 862819973 /nfs/dbraw/zinc/81/99/73/862819973.db2.gz KDTKQOMLUYWMEG-HNNXBMFYSA-N 1 2 386.521 3.714 20 30 GHEDLO N#Cc1cc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)ccc1OC(F)(F)F ZINC000508225497 857087697 /nfs/dbraw/zinc/08/76/97/857087697.db2.gz JVTMRVRVKYDTRH-UHFFFAOYSA-N 1 2 386.333 3.954 20 30 GHEDLO N#Cc1ccc(N2CC[C@H]([NH+]3CCC(c4c(F)cccc4F)CC3)C2=O)cc1 ZINC000485872110 857172351 /nfs/dbraw/zinc/17/23/51/857172351.db2.gz RTIROSHGUBREPS-FQEVSTJZSA-N 1 2 381.426 3.821 20 30 GHEDLO CC1CC[NH+](Cc2csc(NC(=O)CN(CCC#N)CC(C)(C)C)n2)CC1 ZINC000428230556 857240937 /nfs/dbraw/zinc/24/09/37/857240937.db2.gz POOKAIROFVKZTC-UHFFFAOYSA-N 1 2 391.585 3.575 20 30 GHEDLO CCn1cc(C[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C(C)C)cn1 ZINC000593082480 857317177 /nfs/dbraw/zinc/31/71/77/857317177.db2.gz SAJRPARWLTXKCF-UHFFFAOYSA-N 1 2 387.915 3.714 20 30 GHEDLO CCn1cc(C[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C(C)C)cn1 ZINC000593082480 857317181 /nfs/dbraw/zinc/31/71/81/857317181.db2.gz SAJRPARWLTXKCF-UHFFFAOYSA-N 1 2 387.915 3.714 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC2(CC2(F)F)CC1 ZINC000593072579 857334679 /nfs/dbraw/zinc/33/46/79/857334679.db2.gz IIEFUUJFPJMYCR-AWEZNQCLSA-N 1 2 379.476 3.998 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC2(CC2(F)F)CC1 ZINC000593072582 857335006 /nfs/dbraw/zinc/33/50/06/857335006.db2.gz IIEFUUJFPJMYCR-CQSZACIVSA-N 1 2 379.476 3.998 20 30 GHEDLO C[C@@H]1CN(CC#Cc2ccc(F)cc2)[C@@H](C)C[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000441916161 857336027 /nfs/dbraw/zinc/33/60/27/857336027.db2.gz FWRHOOPRJXCSKL-BGYRXZFFSA-N 1 2 378.466 3.763 20 30 GHEDLO C[C@@H]1CN(CC#Cc2ccc(F)cc2)[C@@H](C)C[N@H+]1CC#Cc1ccc(F)cc1 ZINC000441916161 857336036 /nfs/dbraw/zinc/33/60/36/857336036.db2.gz FWRHOOPRJXCSKL-BGYRXZFFSA-N 1 2 378.466 3.763 20 30 GHEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)[C@@H](C)CN1CC#Cc1ccc(F)cc1 ZINC000441916161 857336047 /nfs/dbraw/zinc/33/60/47/857336047.db2.gz FWRHOOPRJXCSKL-BGYRXZFFSA-N 1 2 378.466 3.763 20 30 GHEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)[C@@H](C)CN1CC#Cc1ccc(F)cc1 ZINC000441916161 857336053 /nfs/dbraw/zinc/33/60/53/857336053.db2.gz FWRHOOPRJXCSKL-BGYRXZFFSA-N 1 2 378.466 3.763 20 30 GHEDLO Cc1ccc([C@@H]([NH2+]Cc2ccc(C#N)o2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000174634569 857355084 /nfs/dbraw/zinc/35/50/84/857355084.db2.gz IMUOMQBZGUXZIV-OAQYLSRUSA-N 1 2 380.469 3.742 20 30 GHEDLO COc1ccc([C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C2CC2)c2ccccc2Cl)cc1 ZINC000132296921 858117059 /nfs/dbraw/zinc/11/70/59/858117059.db2.gz USICJQRBXJNSAY-FGZHOGPDSA-N 1 2 397.906 3.836 20 30 GHEDLO C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000066953697 858372310 /nfs/dbraw/zinc/37/23/10/858372310.db2.gz HTDFTOIEWRYFBR-SJORKVTESA-N 1 2 394.475 3.581 20 30 GHEDLO C[C@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000595518325 858550756 /nfs/dbraw/zinc/55/07/56/858550756.db2.gz VHWVYWKYJZVMOV-RHSMWYFYSA-N 1 2 398.894 3.715 20 30 GHEDLO C[C@H](c1nc2ccc(Cl)cc2[nH]1)[N@@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000595518325 858550760 /nfs/dbraw/zinc/55/07/60/858550760.db2.gz VHWVYWKYJZVMOV-RHSMWYFYSA-N 1 2 398.894 3.715 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)N2CC[C@](C)(C#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000595571861 858555761 /nfs/dbraw/zinc/55/57/61/858555761.db2.gz AXEPGNRUHJEWJC-YQVWRLOYSA-N 1 2 378.879 3.560 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)N2CC[C@](C)(C#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000595571861 858555764 /nfs/dbraw/zinc/55/57/64/858555764.db2.gz AXEPGNRUHJEWJC-YQVWRLOYSA-N 1 2 378.879 3.560 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443339280 858583376 /nfs/dbraw/zinc/58/33/76/858583376.db2.gz ZVBFAZCEJKWPJZ-SFHVURJKSA-N 1 2 399.535 3.754 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443339280 858583380 /nfs/dbraw/zinc/58/33/80/858583380.db2.gz ZVBFAZCEJKWPJZ-SFHVURJKSA-N 1 2 399.535 3.754 20 30 GHEDLO C=CC[C@H]1CCC[N@H+]([C@@H](C)c2nc(=O)c3c(C)c(C(=O)OCC)sc3[nH]2)C1 ZINC000595658606 858640643 /nfs/dbraw/zinc/64/06/43/858640643.db2.gz GCBGNCBELYHIIM-KBPBESRZSA-N 1 2 389.521 3.819 20 30 GHEDLO COc1ccc2c(c1)CC[N@@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)C2 ZINC000595759678 858660518 /nfs/dbraw/zinc/66/05/18/858660518.db2.gz MPGIWDGCGOXRQG-UHFFFAOYSA-N 1 2 377.488 3.617 20 30 GHEDLO COc1ccc2c(c1)CC[N@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)C2 ZINC000595759678 858660526 /nfs/dbraw/zinc/66/05/26/858660526.db2.gz MPGIWDGCGOXRQG-UHFFFAOYSA-N 1 2 377.488 3.617 20 30 GHEDLO Cc1cc(-c2nnc(C[NH2+]C3(c4cccc(C#N)c4)CCOCC3)o2)c(C)o1 ZINC000595771728 858665645 /nfs/dbraw/zinc/66/56/45/858665645.db2.gz CQVUUPMXPTWPLP-UHFFFAOYSA-N 1 2 378.432 3.614 20 30 GHEDLO COc1ccccc1S(=O)(=O)CCC[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000466198570 858684169 /nfs/dbraw/zinc/68/41/69/858684169.db2.gz GRWIXDLVPNEYGZ-UHFFFAOYSA-N 1 2 396.512 3.520 20 30 GHEDLO COc1ccccc1S(=O)(=O)CCC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000466198570 858684176 /nfs/dbraw/zinc/68/41/76/858684176.db2.gz GRWIXDLVPNEYGZ-UHFFFAOYSA-N 1 2 396.512 3.520 20 30 GHEDLO CC1(O)CCN(c2cc(NCc3ccc(-c4ccccc4C#N)cc3)[nH+]cn2)CC1 ZINC000596186754 858800466 /nfs/dbraw/zinc/80/04/66/858800466.db2.gz XCMSPGHHCNHROJ-UHFFFAOYSA-N 1 2 399.498 3.979 20 30 GHEDLO CC1(O)CCN(c2cc(NCc3ccc(-c4ccccc4C#N)cc3)nc[nH+]2)CC1 ZINC000596186754 858800479 /nfs/dbraw/zinc/80/04/79/858800479.db2.gz XCMSPGHHCNHROJ-UHFFFAOYSA-N 1 2 399.498 3.979 20 30 GHEDLO C=CC[N@H+](Cc1ccn(-c2ccccc2)n1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596211031 858817198 /nfs/dbraw/zinc/81/71/98/858817198.db2.gz LRLKHWJQEYJNMD-GOSISDBHSA-N 1 2 385.475 3.597 20 30 GHEDLO C=CC[N@@H+](Cc1ccn(-c2ccccc2)n1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596211031 858817203 /nfs/dbraw/zinc/81/72/03/858817203.db2.gz LRLKHWJQEYJNMD-GOSISDBHSA-N 1 2 385.475 3.597 20 30 GHEDLO C[C@@H](NC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)c1ccc(C#N)cc1 ZINC000443551502 858930286 /nfs/dbraw/zinc/93/02/86/858930286.db2.gz SAFXLOZDKZVAHT-OAHLLOKOSA-N 1 2 382.895 3.630 20 30 GHEDLO C[C@@H](NC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)c1ccc(C#N)cc1 ZINC000443551502 858930300 /nfs/dbraw/zinc/93/03/00/858930300.db2.gz SAFXLOZDKZVAHT-OAHLLOKOSA-N 1 2 382.895 3.630 20 30 GHEDLO C=CCN(CC1CCCCC1)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000601846258 859582964 /nfs/dbraw/zinc/58/29/64/859582964.db2.gz HIDYHCVKKPIQFJ-UHFFFAOYSA-N 1 2 398.551 3.674 20 30 GHEDLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cn1 ZINC000611209209 859644459 /nfs/dbraw/zinc/64/44/59/859644459.db2.gz OFTUFEMQPBVJTN-AWEZNQCLSA-N 1 2 398.532 3.751 20 30 GHEDLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cn1 ZINC000611209209 859644468 /nfs/dbraw/zinc/64/44/68/859644468.db2.gz OFTUFEMQPBVJTN-AWEZNQCLSA-N 1 2 398.532 3.751 20 30 GHEDLO CC(C)C[C@@H](C(=O)N[C@@H](C#N)c1ccc(Br)cc1)n1cc[nH+]c1 ZINC000602051817 859728527 /nfs/dbraw/zinc/72/85/27/859728527.db2.gz FQSOETGCVMCUGU-HOTGVXAUSA-N 1 2 375.270 3.614 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCN(c2cccs2)CC1 ZINC000466493395 859735017 /nfs/dbraw/zinc/73/50/17/859735017.db2.gz RQXHKTFXVBEAMG-INIZCTEOSA-N 1 2 375.563 3.535 20 30 GHEDLO C[C@H](c1ccccn1)[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000161249562 859768522 /nfs/dbraw/zinc/76/85/22/859768522.db2.gz FYUZABRVOPVKKJ-BEFAXECRSA-N 1 2 385.309 3.788 20 30 GHEDLO COc1cc(C[NH2+]Cc2ccc(C#N)cc2F)c([N+](=O)[O-])cc1OCC(F)F ZINC000611519604 859798084 /nfs/dbraw/zinc/79/80/84/859798084.db2.gz ZUVYHBSTPDGYMP-UHFFFAOYSA-N 1 2 395.337 3.548 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C(F)(F)F)CC[C@@H]2C)cc1 ZINC000611554346 859802959 /nfs/dbraw/zinc/80/29/59/859802959.db2.gz MEOVBEDWIQAJDR-JKSUJKDBSA-N 1 2 397.441 3.995 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](C(F)(F)F)CC[C@@H]2C)cc1 ZINC000611554346 859802971 /nfs/dbraw/zinc/80/29/71/859802971.db2.gz MEOVBEDWIQAJDR-JKSUJKDBSA-N 1 2 397.441 3.995 20 30 GHEDLO CC(C)C[C@@H](C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)n1cc[nH+]c1 ZINC000602150897 859811273 /nfs/dbraw/zinc/81/12/73/859811273.db2.gz BCWBXGOPWMCLBM-IBGZPJMESA-N 1 2 384.455 3.551 20 30 GHEDLO N#CC[C@@H]1CCCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000597907533 859900141 /nfs/dbraw/zinc/90/01/41/859900141.db2.gz CLEVHJORQOHUNL-YJBOKZPZSA-N 1 2 390.325 3.738 20 30 GHEDLO CC(C)(C)Oc1cccc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)n1 ZINC000508910242 859943579 /nfs/dbraw/zinc/94/35/79/859943579.db2.gz BYVUWDHUXPJQCQ-UHFFFAOYSA-N 1 2 378.520 3.838 20 30 GHEDLO CC(C)(C)Oc1cccc(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)n1 ZINC000508910242 859943587 /nfs/dbraw/zinc/94/35/87/859943587.db2.gz BYVUWDHUXPJQCQ-UHFFFAOYSA-N 1 2 378.520 3.838 20 30 GHEDLO C=CCOc1ccc(COC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)cc1 ZINC001127856362 859950821 /nfs/dbraw/zinc/95/08/21/859950821.db2.gz HCJJEKBLKJOQFQ-UHFFFAOYSA-N 1 2 379.372 3.702 20 30 GHEDLO C=CCn1c(C(C)C)nnc1N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000508912860 859968491 /nfs/dbraw/zinc/96/84/91/859968491.db2.gz MLSNPVPEMYKFEZ-UHFFFAOYSA-N 1 2 393.457 3.929 20 30 GHEDLO CN(C)C(=O)c1ccc(C[N@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)[nH]1 ZINC000092128762 859994876 /nfs/dbraw/zinc/99/48/76/859994876.db2.gz IDBQKXFBSOOLLH-UHFFFAOYSA-N 1 2 390.462 3.930 20 30 GHEDLO CN(C)C(=O)c1ccc(C[N@@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)[nH]1 ZINC000092128762 859994881 /nfs/dbraw/zinc/99/48/81/859994881.db2.gz IDBQKXFBSOOLLH-UHFFFAOYSA-N 1 2 390.462 3.930 20 30 GHEDLO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cnc2ccc(C#N)cn12 ZINC000093363391 860257507 /nfs/dbraw/zinc/25/75/07/860257507.db2.gz XZIBWAQSOUNVLW-UHFFFAOYSA-N 1 2 381.867 3.710 20 30 GHEDLO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cnc2ccc(C#N)cn12 ZINC000093363391 860257516 /nfs/dbraw/zinc/25/75/16/860257516.db2.gz XZIBWAQSOUNVLW-UHFFFAOYSA-N 1 2 381.867 3.710 20 30 GHEDLO C=CC[N@@H+](CCOC)CC(=O)N(Cc1ccccc1)c1nc2c(s1)CCCC2 ZINC000484688266 860274330 /nfs/dbraw/zinc/27/43/30/860274330.db2.gz HVBUSGQYCJUBMI-UHFFFAOYSA-N 1 2 399.560 3.690 20 30 GHEDLO C=CC[N@H+](CCOC)CC(=O)N(Cc1ccccc1)c1nc2c(s1)CCCC2 ZINC000484688266 860274335 /nfs/dbraw/zinc/27/43/35/860274335.db2.gz HVBUSGQYCJUBMI-UHFFFAOYSA-N 1 2 399.560 3.690 20 30 GHEDLO C[C@H](NC(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1)c1ccc(C#N)cc1 ZINC000598979402 860712266 /nfs/dbraw/zinc/71/22/66/860712266.db2.gz ZFCGSARDQPQJPF-KRWDZBQOSA-N 1 2 387.487 3.628 20 30 GHEDLO COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000054225723 860750418 /nfs/dbraw/zinc/75/04/18/860750418.db2.gz VBSJAIMVPQUIOO-UHFFFAOYSA-N 1 2 394.406 3.689 20 30 GHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 ZINC000730096798 860869923 /nfs/dbraw/zinc/86/99/23/860869923.db2.gz WRNGZOBZDIDUSB-IBGZPJMESA-N 1 2 384.426 3.915 20 30 GHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 ZINC000730096798 860869926 /nfs/dbraw/zinc/86/99/26/860869926.db2.gz WRNGZOBZDIDUSB-IBGZPJMESA-N 1 2 384.426 3.915 20 30 GHEDLO CCOc1ccc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 ZINC000157471356 861167528 /nfs/dbraw/zinc/16/75/28/861167528.db2.gz OSJSLCQPUHMLNA-UHFFFAOYSA-N 1 2 378.432 3.527 20 30 GHEDLO Cc1cccc(S(=O)(=O)CCC[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000155186024 881637157 /nfs/dbraw/zinc/63/71/57/881637157.db2.gz KNGMHNJRJYUVPQ-UHFFFAOYSA-N 1 2 398.528 3.574 20 30 GHEDLO COc1cccc2c1CC[N@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)C2 ZINC000182682682 863328528 /nfs/dbraw/zinc/32/85/28/863328528.db2.gz PDCVFXQPBRALBC-UHFFFAOYSA-N 1 2 377.488 3.617 20 30 GHEDLO COc1cccc2c1CC[N@@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)C2 ZINC000182682682 863328545 /nfs/dbraw/zinc/32/85/45/863328545.db2.gz PDCVFXQPBRALBC-UHFFFAOYSA-N 1 2 377.488 3.617 20 30 GHEDLO N#CCCCn1cc(C(=O)NCCCCNc2cccc[nH+]2)c2ccccc21 ZINC000444177348 863611442 /nfs/dbraw/zinc/61/14/42/863611442.db2.gz VEQTUBYDIPQGEA-UHFFFAOYSA-N 1 2 375.476 3.962 20 30 GHEDLO C=CCCO[C@@H](C)C(=O)N(CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000607064234 864079356 /nfs/dbraw/zinc/07/93/56/864079356.db2.gz UIMAHFGOLIYGJB-SFHVURJKSA-N 1 2 388.556 3.707 20 30 GHEDLO Cn1c[nH+]cc1CC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC000554556622 864545291 /nfs/dbraw/zinc/54/52/91/864545291.db2.gz DEFGSQKWRZVTIU-UHFFFAOYSA-N 1 2 380.835 3.705 20 30 GHEDLO N#CCOc1ccc(Cl)cc1C[NH+]1CCN(c2ncnc3sccc32)CC1 ZINC000735306648 864709835 /nfs/dbraw/zinc/70/98/35/864709835.db2.gz QNUVPDWYFSWXTH-UHFFFAOYSA-N 1 2 399.907 3.569 20 30 GHEDLO C#CCOc1ccc(NC(=O)N2CC[NH+](Cc3ccc(CC)s3)CC2)cc1 ZINC000738941972 865663817 /nfs/dbraw/zinc/66/38/17/865663817.db2.gz PUQJDZBYUOWSLX-UHFFFAOYSA-N 1 2 383.517 3.672 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3c[nH]c4cc(Cl)ccc43)CC2)cc1 ZINC000608888933 865818113 /nfs/dbraw/zinc/81/81/13/865818113.db2.gz ZVOATTOKJIEITB-UHFFFAOYSA-N 1 2 378.863 3.651 20 30 GHEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[NH+]1CCC(Cc2ccccc2OC)CC1 ZINC000739912786 865828178 /nfs/dbraw/zinc/82/81/78/865828178.db2.gz UIINJAGTALUZMJ-QFIPXVFZSA-N 1 2 378.472 3.736 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)c1 ZINC000608976671 865872028 /nfs/dbraw/zinc/87/20/28/865872028.db2.gz FZXOLZZBZGYTDO-UHFFFAOYSA-N 1 2 399.535 3.604 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)cc1 ZINC000475595807 866568105 /nfs/dbraw/zinc/56/81/05/866568105.db2.gz MHTUQYDAASUKHS-UHFFFAOYSA-N 1 2 398.413 3.969 20 30 GHEDLO CCOC(=O)COc1cccc(C(=O)/C=C/c2c[nH+]c3ccc(Cl)cn23)c1 ZINC000737444337 866765201 /nfs/dbraw/zinc/76/52/01/866765201.db2.gz PMTZYSJMAWGRJM-BQYQJAHWSA-N 1 2 384.819 3.826 20 30 GHEDLO C=CC[N@@H+](CC(=O)c1c[nH]c2ccc(C(=O)OC)cc21)Cc1cccc(C#N)c1 ZINC000444574272 866904397 /nfs/dbraw/zinc/90/43/97/866904397.db2.gz PFXBNAZFYFTDGD-UHFFFAOYSA-N 1 2 387.439 3.697 20 30 GHEDLO C=CC[N@H+](CC(=O)c1c[nH]c2ccc(C(=O)OC)cc21)Cc1cccc(C#N)c1 ZINC000444574272 866904414 /nfs/dbraw/zinc/90/44/14/866904414.db2.gz PFXBNAZFYFTDGD-UHFFFAOYSA-N 1 2 387.439 3.697 20 30 GHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000742768639 867538895 /nfs/dbraw/zinc/53/88/95/867538895.db2.gz HRLPVOQCCLYZGS-ZDUSSCGKSA-N 1 2 375.188 3.504 20 30 GHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000742768639 867538909 /nfs/dbraw/zinc/53/89/09/867538909.db2.gz HRLPVOQCCLYZGS-ZDUSSCGKSA-N 1 2 375.188 3.504 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCc3cc(C#N)ccc3F)n2)C1 ZINC000743074988 867796980 /nfs/dbraw/zinc/79/69/80/867796980.db2.gz MBQKEXKLZQTHNL-CYBMUJFWSA-N 1 2 387.484 3.707 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCc3cc(C#N)ccc3F)n2)C1 ZINC000743074988 867796992 /nfs/dbraw/zinc/79/69/92/867796992.db2.gz MBQKEXKLZQTHNL-CYBMUJFWSA-N 1 2 387.484 3.707 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)C2(c3cccc(C#N)c3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535131258 868259423 /nfs/dbraw/zinc/25/94/23/868259423.db2.gz VTUCJSVFVUKTRB-VQTJNVASSA-N 1 2 397.881 3.944 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)C2(c3cccc(C#N)c3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535131258 868259438 /nfs/dbraw/zinc/25/94/38/868259438.db2.gz VTUCJSVFVUKTRB-VQTJNVASSA-N 1 2 397.881 3.944 20 30 GHEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cnc(-c3ccccn3)s2)CC1 ZINC000155260097 868415560 /nfs/dbraw/zinc/41/55/60/868415560.db2.gz MXASDPJVRMJFDN-HXUWFJFHSA-N 1 2 375.501 3.588 20 30 GHEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cc(F)cc(Br)c3)C2)nc1 ZINC000428779370 868512101 /nfs/dbraw/zinc/51/21/01/868512101.db2.gz LCUWVQYQSNMDGG-INIZCTEOSA-N 1 2 376.229 3.508 20 30 GHEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cc(F)cc(Br)c3)C2)nc1 ZINC000428779370 868512112 /nfs/dbraw/zinc/51/21/12/868512112.db2.gz LCUWVQYQSNMDGG-INIZCTEOSA-N 1 2 376.229 3.508 20 30 GHEDLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(CC#N)cc1 ZINC000535434632 868760125 /nfs/dbraw/zinc/76/01/25/868760125.db2.gz DDCZIFKXOKVBNK-MBSDFSHPSA-N 1 2 390.531 3.829 20 30 GHEDLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(CC#N)cc1 ZINC000535434632 868760131 /nfs/dbraw/zinc/76/01/31/868760131.db2.gz DDCZIFKXOKVBNK-MBSDFSHPSA-N 1 2 390.531 3.829 20 30 GHEDLO CC(C)[C@H](Cc1ccccc1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000524253025 868776310 /nfs/dbraw/zinc/77/63/10/868776310.db2.gz SCZBZNIAJDMFHD-QHCPKHFHSA-N 1 2 375.516 3.717 20 30 GHEDLO CC[C@@](C)([NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)c1nccs1 ZINC000744404189 868812098 /nfs/dbraw/zinc/81/20/98/868812098.db2.gz JNWSIVWASVRBHK-JLTOFOAXSA-N 1 2 377.473 3.595 20 30 GHEDLO COc1ccc(Br)c(C[N@H+](C)Cc2ccc(C#N)c(OC)c2)c1 ZINC000443069297 869314957 /nfs/dbraw/zinc/31/49/57/869314957.db2.gz MYGSVELKKRGTDV-UHFFFAOYSA-N 1 2 375.266 3.970 20 30 GHEDLO COc1ccc(Br)c(C[N@@H+](C)Cc2ccc(C#N)c(OC)c2)c1 ZINC000443069297 869314971 /nfs/dbraw/zinc/31/49/71/869314971.db2.gz MYGSVELKKRGTDV-UHFFFAOYSA-N 1 2 375.266 3.970 20 30 GHEDLO CC(C)OC(=O)Cc1nc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cs1 ZINC000524666766 869425677 /nfs/dbraw/zinc/42/56/77/869425677.db2.gz JLGPZUUQDGPDDM-UHFFFAOYSA-N 1 2 399.516 3.552 20 30 GHEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCO3)sc2C1 ZINC000524915903 869752759 /nfs/dbraw/zinc/75/27/59/869752759.db2.gz WEQJICQPDOSFMD-BEFAXECRSA-N 1 2 395.528 3.584 20 30 GHEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)sc2C1 ZINC000524915903 869752765 /nfs/dbraw/zinc/75/27/65/869752765.db2.gz WEQJICQPDOSFMD-BEFAXECRSA-N 1 2 395.528 3.584 20 30 GHEDLO COc1ccc2c(c1)C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@H](c1ccccc1)C2 ZINC000121964524 882354871 /nfs/dbraw/zinc/35/48/71/882354871.db2.gz PLDQJBAMICSVLL-ISKFKSNPSA-N 1 2 389.499 3.603 20 30 GHEDLO COc1ccc2c(c1)C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@H](c1ccccc1)C2 ZINC000121964524 882354880 /nfs/dbraw/zinc/35/48/80/882354880.db2.gz PLDQJBAMICSVLL-ISKFKSNPSA-N 1 2 389.499 3.603 20 30 GHEDLO CC(C)[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O ZINC000746033818 869961004 /nfs/dbraw/zinc/96/10/04/869961004.db2.gz UVPLHQHIKIMOCC-UZUQRXQVSA-N 1 2 396.535 3.863 20 30 GHEDLO CC(C)[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O ZINC000746033818 869961015 /nfs/dbraw/zinc/96/10/15/869961015.db2.gz UVPLHQHIKIMOCC-UZUQRXQVSA-N 1 2 396.535 3.863 20 30 GHEDLO C=CCOc1ccccc1CN(C(=O)[C@H]1C[N@H+](C)CCO1)c1ccc(C)c(C)c1 ZINC000746244450 870137401 /nfs/dbraw/zinc/13/74/01/870137401.db2.gz OFFHQKMGDQMXPG-HSZRJFAPSA-N 1 2 394.515 3.732 20 30 GHEDLO C=CCOc1ccccc1CN(C(=O)[C@H]1C[N@@H+](C)CCO1)c1ccc(C)c(C)c1 ZINC000746244450 870137408 /nfs/dbraw/zinc/13/74/08/870137408.db2.gz OFFHQKMGDQMXPG-HSZRJFAPSA-N 1 2 394.515 3.732 20 30 GHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Nc2ccc(C(F)(F)F)cn2)cc1 ZINC000746302386 870166868 /nfs/dbraw/zinc/16/68/68/870166868.db2.gz YHGDBHRWDQSNEU-KRWDZBQOSA-N 1 2 388.393 3.880 20 30 GHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Nc2ccc(C(F)(F)F)cn2)cc1 ZINC000746302386 870166879 /nfs/dbraw/zinc/16/68/79/870166879.db2.gz YHGDBHRWDQSNEU-KRWDZBQOSA-N 1 2 388.393 3.880 20 30 GHEDLO COc1ccc(OC2CC[NH+](Cc3nnc(-c4cccc(C#N)c4)o3)CC2)cc1 ZINC000525270530 870243776 /nfs/dbraw/zinc/24/37/76/870243776.db2.gz YCSSLAWQEJCXQM-UHFFFAOYSA-N 1 2 390.443 3.660 20 30 GHEDLO C[C@@H]1CCc2c(sc3nc(C[N@H+](C)Cc4cccc(C#N)c4)nc(N)c32)C1 ZINC000538978963 871021269 /nfs/dbraw/zinc/02/12/69/871021269.db2.gz ACZNQNLTQNFYMU-CYBMUJFWSA-N 1 2 377.517 3.902 20 30 GHEDLO C[C@@H]1CCc2c(sc3nc(C[N@@H+](C)Cc4cccc(C#N)c4)nc(N)c32)C1 ZINC000538978963 871021289 /nfs/dbraw/zinc/02/12/89/871021289.db2.gz ACZNQNLTQNFYMU-CYBMUJFWSA-N 1 2 377.517 3.902 20 30 GHEDLO C[C@H]([NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1)c1ccc(C#N)cc1 ZINC000182011355 871720927 /nfs/dbraw/zinc/72/09/27/871720927.db2.gz WPRYQSDFBNDOOO-LBPRGKRZSA-N 1 2 382.265 3.957 20 30 GHEDLO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000618829734 872035438 /nfs/dbraw/zinc/03/54/38/872035438.db2.gz LHANHZKTPAZRSC-OAQYLSRUSA-N 1 2 394.906 3.556 20 30 GHEDLO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000618829734 872035454 /nfs/dbraw/zinc/03/54/54/872035454.db2.gz LHANHZKTPAZRSC-OAQYLSRUSA-N 1 2 394.906 3.556 20 30 GHEDLO C=CCOc1cc(OC)ccc1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000463730888 872427398 /nfs/dbraw/zinc/42/73/98/872427398.db2.gz SUJQAZPLTBVJCX-UHFFFAOYSA-N 1 2 395.503 3.965 20 30 GHEDLO N#Cc1ccc(-n2c(SCc3cc[nH+]c(N)c3)nc3ccccc3c2=O)cc1 ZINC000195500551 882649179 /nfs/dbraw/zinc/64/91/79/882649179.db2.gz UDSRQXYTYHPTME-UHFFFAOYSA-N 1 2 385.452 3.527 20 30 GHEDLO Cc1ccc([C@]2(C)CC(=O)N(C[N@H+]3CC=C(c4ccc(C#N)cc4)CC3)C2=O)cc1 ZINC000767986813 873003087 /nfs/dbraw/zinc/00/30/87/873003087.db2.gz MSWVFQAXOBVVHW-VWLOTQADSA-N 1 2 399.494 3.630 20 30 GHEDLO Cc1ccc([C@]2(C)CC(=O)N(C[N@@H+]3CC=C(c4ccc(C#N)cc4)CC3)C2=O)cc1 ZINC000767986813 873003108 /nfs/dbraw/zinc/00/31/08/873003108.db2.gz MSWVFQAXOBVVHW-VWLOTQADSA-N 1 2 399.494 3.630 20 30 GHEDLO CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=S)Nc1ccccc1C#N ZINC001196294078 873020979 /nfs/dbraw/zinc/02/09/79/873020979.db2.gz PKHQTYWGOBFBGF-UHFFFAOYSA-N 1 2 378.461 3.519 20 30 GHEDLO C[C@H](C(=O)Nc1cccc2ccccc21)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023084741 873543183 /nfs/dbraw/zinc/54/31/83/873543183.db2.gz YYLKZTYVPOJJEF-LJQANCHMSA-N 1 2 398.510 3.856 20 30 GHEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858027828 882751699 /nfs/dbraw/zinc/75/16/99/882751699.db2.gz XRNCUEBSUCPBED-GOSISDBHSA-N 1 2 378.432 3.782 20 30 GHEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858027828 882751705 /nfs/dbraw/zinc/75/17/05/882751705.db2.gz XRNCUEBSUCPBED-GOSISDBHSA-N 1 2 378.432 3.782 20 30 GHEDLO N#Cc1ccc(-c2ccc(C(=O)N3CC[C@@H]([NH+]4CCCC4)C(F)(F)C3)o2)cc1 ZINC001197392508 873763840 /nfs/dbraw/zinc/76/38/40/873763840.db2.gz BDQGUCHNMIXLIO-LJQANCHMSA-N 1 2 385.414 3.764 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc1Cl ZINC000858049877 882788426 /nfs/dbraw/zinc/78/84/26/882788426.db2.gz MLZVSFPIQSODNL-GOSISDBHSA-N 1 2 396.878 3.576 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc1Cl ZINC000858049877 882788431 /nfs/dbraw/zinc/78/84/31/882788431.db2.gz MLZVSFPIQSODNL-GOSISDBHSA-N 1 2 396.878 3.576 20 30 GHEDLO C#CCOc1ccccc1C[NH2+]Cc1c(Br)cc(OC)cc1OC ZINC000769394246 874059385 /nfs/dbraw/zinc/05/93/85/874059385.db2.gz DMJRMXXBJQAJAI-UHFFFAOYSA-N 1 2 390.277 3.768 20 30 GHEDLO N#Cc1ccccc1OCc1cccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000153045499 874663370 /nfs/dbraw/zinc/66/33/70/874663370.db2.gz AJFWPFOIHDENED-OAQYLSRUSA-N 1 2 398.466 3.541 20 30 GHEDLO C[NH+](C)Cc1nc(CSCCNc2ncc(C#N)c3ccccc23)cs1 ZINC001168108827 874798867 /nfs/dbraw/zinc/79/88/67/874798867.db2.gz HFNJIVZSCXHEGZ-UHFFFAOYSA-N 1 2 383.546 3.970 20 30 GHEDLO CC[N@@H+]1CC[C@@H](NC(=O)N2CCC(CC#N)CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542039252 874832929 /nfs/dbraw/zinc/83/29/29/874832929.db2.gz PLSYFUPORSRJCH-MJGOQNOKSA-N 1 2 394.441 3.574 20 30 GHEDLO CC[N@H+]1CC[C@@H](NC(=O)N2CCC(CC#N)CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542039252 874832940 /nfs/dbraw/zinc/83/29/40/874832940.db2.gz PLSYFUPORSRJCH-MJGOQNOKSA-N 1 2 394.441 3.574 20 30 GHEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H]2COc2ccc(Cl)cc2)c(C#N)c1C ZINC000770948304 874961094 /nfs/dbraw/zinc/96/10/94/874961094.db2.gz NFHBTIWXQFKJJM-INIZCTEOSA-N 1 2 387.867 3.903 20 30 GHEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H]2COc2ccc(Cl)cc2)c(C#N)c1C ZINC000770948304 874961108 /nfs/dbraw/zinc/96/11/08/874961108.db2.gz NFHBTIWXQFKJJM-INIZCTEOSA-N 1 2 387.867 3.903 20 30 GHEDLO N#Cc1ccc(Nc2cc(I)c3[nH+]ccn3c2)c(F)c1 ZINC001201561657 875753095 /nfs/dbraw/zinc/75/30/95/875753095.db2.gz NAAOFUPJIZBNLV-UHFFFAOYSA-N 1 2 378.148 3.693 20 30 GHEDLO N#Cc1ccc(C2=CCN(C(=O)Nc3ccc(Cn4cc[nH+]c4)cn3)CC2)cc1 ZINC000492288496 876581530 /nfs/dbraw/zinc/58/15/30/876581530.db2.gz GUPMWNFQNVZPGZ-UHFFFAOYSA-N 1 2 384.443 3.519 20 30 GHEDLO CCO[C@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)C1 ZINC000610002151 877275770 /nfs/dbraw/zinc/27/57/70/877275770.db2.gz GLZJIENKQOZPKZ-IBGZPJMESA-N 1 2 398.482 3.544 20 30 GHEDLO CCO[C@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)C1 ZINC000610002151 877275783 /nfs/dbraw/zinc/27/57/83/877275783.db2.gz GLZJIENKQOZPKZ-IBGZPJMESA-N 1 2 398.482 3.544 20 30 GHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H](CO)c2ccc(Cl)cc2)c1C ZINC000451322216 877776081 /nfs/dbraw/zinc/77/60/81/877776081.db2.gz FMISCGSNTYWZCN-OAQYLSRUSA-N 1 2 399.922 3.869 20 30 GHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@H](CO)c2ccc(Cl)cc2)c1C ZINC000451322216 877776108 /nfs/dbraw/zinc/77/61/08/877776108.db2.gz FMISCGSNTYWZCN-OAQYLSRUSA-N 1 2 399.922 3.869 20 30 GHEDLO C#CCOc1ccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000788289292 877998856 /nfs/dbraw/zinc/99/88/56/877998856.db2.gz AGXULXDYCWRDHX-UXHICEINSA-N 1 2 385.414 3.544 20 30 GHEDLO C#CCOc1ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000788289292 877998865 /nfs/dbraw/zinc/99/88/65/877998865.db2.gz AGXULXDYCWRDHX-UXHICEINSA-N 1 2 385.414 3.544 20 30 GHEDLO N#Cc1cccc(CC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000530675643 878302831 /nfs/dbraw/zinc/30/28/31/878302831.db2.gz YEOHCLDXVJIBIF-LJQANCHMSA-N 1 2 385.870 3.674 20 30 GHEDLO N#Cc1cccc(CC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000530675643 878302842 /nfs/dbraw/zinc/30/28/42/878302842.db2.gz YEOHCLDXVJIBIF-LJQANCHMSA-N 1 2 385.870 3.674 20 30 GHEDLO C#CCCCOc1ccc[nH+]c1NC1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000853259406 878937837 /nfs/dbraw/zinc/93/78/37/878937837.db2.gz YZGKELFXJBHJDL-UHFFFAOYSA-N 1 2 377.488 3.899 20 30 GHEDLO Cc1ccnc(C[NH+]2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)c1 ZINC000616769350 879041589 /nfs/dbraw/zinc/04/15/89/879041589.db2.gz FCVFLLSIQYKKIR-LJQANCHMSA-N 1 2 385.309 3.535 20 30 GHEDLO C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789520147 879043374 /nfs/dbraw/zinc/04/33/74/879043374.db2.gz DUBXLBPMCJTXNI-FQEVSTJZSA-N 1 2 386.417 3.790 20 30 GHEDLO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789520147 879043385 /nfs/dbraw/zinc/04/33/85/879043385.db2.gz DUBXLBPMCJTXNI-FQEVSTJZSA-N 1 2 386.417 3.790 20 30 GHEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+](CCOC)[C@@H]2CC[C@@H](C)C2)c1=S ZINC000790475816 879750017 /nfs/dbraw/zinc/75/00/17/879750017.db2.gz BZSVHWQPALNITH-SJLPKXTDSA-N 1 2 387.553 3.757 20 30 GHEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+](CCOC)[C@@H]2CC[C@@H](C)C2)c1=S ZINC000790475816 879750032 /nfs/dbraw/zinc/75/00/32/879750032.db2.gz BZSVHWQPALNITH-SJLPKXTDSA-N 1 2 387.553 3.757 20 30 GHEDLO NC(=[NH+]OCCCNC(=O)C1CCCC1)c1ccc(OCc2ccccc2)cc1 ZINC000790500780 879774375 /nfs/dbraw/zinc/77/43/75/879774375.db2.gz OWDAHXJSGXGFPJ-UHFFFAOYSA-N 1 2 395.503 3.599 20 30 GHEDLO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2sccc2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000494139545 879944569 /nfs/dbraw/zinc/94/45/69/879944569.db2.gz DRYIJTCSRJTWNR-SJORKVTESA-N 1 2 375.444 3.852 20 30 GHEDLO CC(C)[N@H+]1CC[C@@H](NC(=O)c2sccc2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000494139545 879944579 /nfs/dbraw/zinc/94/45/79/879944579.db2.gz DRYIJTCSRJTWNR-SJORKVTESA-N 1 2 375.444 3.852 20 30 GHEDLO Cc1nc(N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)ccc1C#N ZINC000487746708 879970517 /nfs/dbraw/zinc/97/05/17/879970517.db2.gz CITHBSWKUKLFNQ-UHFFFAOYSA-N 1 2 386.253 3.521 20 30 GHEDLO N#Cc1cc(Br)cc(COC(=O)c2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000791112018 880213888 /nfs/dbraw/zinc/21/38/88/880213888.db2.gz OHYXLWFXHYDDEV-UHFFFAOYSA-N 1 2 396.244 3.923 20 30 GHEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](Cc1cc(Br)ccc1F)C(C)C ZINC000531841716 880586465 /nfs/dbraw/zinc/58/64/65/880586465.db2.gz CDGMSBONYUDSEY-CQSZACIVSA-N 1 2 398.320 3.807 20 30 GHEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](Cc1cc(Br)ccc1F)C(C)C ZINC000531841716 880586470 /nfs/dbraw/zinc/58/64/70/880586470.db2.gz CDGMSBONYUDSEY-CQSZACIVSA-N 1 2 398.320 3.807 20 30 GHEDLO C#CCC[NH+]1CCN(C(=O)c2sc(-c3ccc(OCC)cc3)nc2CC)CC1 ZINC000792119542 880911991 /nfs/dbraw/zinc/91/19/91/880911991.db2.gz CZZHQWSTPKJWCE-UHFFFAOYSA-N 1 2 397.544 3.552 20 30 GHEDLO CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000556968314 881246022 /nfs/dbraw/zinc/24/60/22/881246022.db2.gz HBZWCBLBKFGSJL-KRWDZBQOSA-N 1 2 397.500 3.796 20 30 GHEDLO CCOc1ccccc1C(=O)N1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135130918 883221638 /nfs/dbraw/zinc/22/16/38/883221638.db2.gz FPKRZLGMAAPLAA-UHFFFAOYSA-N 1 2 391.515 3.844 20 30 GHEDLO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000805773989 884054753 /nfs/dbraw/zinc/05/47/53/884054753.db2.gz YGFNLZLBXUMJJI-QGZVFWFLSA-N 1 2 379.888 3.733 20 30 GHEDLO CCCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000805773989 884054771 /nfs/dbraw/zinc/05/47/71/884054771.db2.gz YGFNLZLBXUMJJI-QGZVFWFLSA-N 1 2 379.888 3.733 20 30 GHEDLO CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000918682091 884141682 /nfs/dbraw/zinc/14/16/82/884141682.db2.gz NFWYRSXKCOLJRJ-LJQANCHMSA-N 1 2 393.491 3.549 20 30 GHEDLO C#CCOc1ccccc1[C@H](C)OC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000805877694 884169525 /nfs/dbraw/zinc/16/95/25/884169525.db2.gz PKYFEGCYYVTZDU-INIZCTEOSA-N 1 2 398.528 3.980 20 30 GHEDLO Cc1ccc(SCCN2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])cc1 ZINC000914597048 884273146 /nfs/dbraw/zinc/27/31/46/884273146.db2.gz ZKQSZDFURDYYAP-UHFFFAOYSA-N 1 2 392.528 3.747 20 30 GHEDLO C[C@H](C[N@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12)NC(=O)OC(C)(C)C ZINC000860098172 884324836 /nfs/dbraw/zinc/32/48/36/884324836.db2.gz MAZHQQOIZLXOFR-MRXNPFEDSA-N 1 2 398.507 3.583 20 30 GHEDLO C[C@H](C[N@@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12)NC(=O)OC(C)(C)C ZINC000860098172 884324847 /nfs/dbraw/zinc/32/48/47/884324847.db2.gz MAZHQQOIZLXOFR-MRXNPFEDSA-N 1 2 398.507 3.583 20 30 GHEDLO N#Cc1ccccc1CN1CCCC[C@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001183829138 912834612 /nfs/dbraw/zinc/83/46/12/912834612.db2.gz IYKMEXVHCIKZNU-QFIPXVFZSA-N 1 2 385.471 3.737 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@](CF)(C(F)(F)F)C1 ZINC001183828441 912835230 /nfs/dbraw/zinc/83/52/30/912835230.db2.gz HARWTOVZIPSMIY-HKUYNNGSSA-N 1 2 397.416 3.663 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@](CF)(C(F)(F)F)C1 ZINC001183828441 912835236 /nfs/dbraw/zinc/83/52/36/912835236.db2.gz HARWTOVZIPSMIY-HKUYNNGSSA-N 1 2 397.416 3.663 20 30 GHEDLO N#Cc1c(NC(=O)C[NH+]2CCC([C@@H]3CCOC3)CC2)sc2c1CCCCC2 ZINC000612130321 884567914 /nfs/dbraw/zinc/56/79/14/884567914.db2.gz CHSDZPXXQVQNSC-MRXNPFEDSA-N 1 2 387.549 3.576 20 30 GHEDLO N#Cc1cccc(OC2CC[NH+]([C@@H](C(=O)NC3CC3)c3ccc(F)cc3)CC2)c1 ZINC000104713614 885573402 /nfs/dbraw/zinc/57/34/02/885573402.db2.gz LYJBMCKZXPKDFS-JOCHJYFZSA-N 1 2 393.462 3.560 20 30 GHEDLO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104714084 885577123 /nfs/dbraw/zinc/57/71/23/885577123.db2.gz FMBNYXIRWPMHJP-AWEZNQCLSA-N 1 2 385.414 3.707 20 30 GHEDLO COC(=O)c1ccc(F)c2c1C[N@H+](Cc1ccc(N(C)CCC#N)cc1)CC2 ZINC000862469007 886397192 /nfs/dbraw/zinc/39/71/92/886397192.db2.gz WEJLWZXRHVUBAM-UHFFFAOYSA-N 1 2 381.451 3.520 20 30 GHEDLO COC(=O)c1ccc(F)c2c1C[N@@H+](Cc1ccc(N(C)CCC#N)cc1)CC2 ZINC000862469007 886397205 /nfs/dbraw/zinc/39/72/05/886397205.db2.gz WEJLWZXRHVUBAM-UHFFFAOYSA-N 1 2 381.451 3.520 20 30 GHEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2cc(F)c(Br)cc2C)C1=O ZINC001275294745 913051640 /nfs/dbraw/zinc/05/16/40/913051640.db2.gz QFXDNLOXAGBDTD-SFHVURJKSA-N 1 2 381.289 3.650 20 30 GHEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(F)c(Br)cc2C)C1=O ZINC001275294745 913051658 /nfs/dbraw/zinc/05/16/58/913051658.db2.gz QFXDNLOXAGBDTD-SFHVURJKSA-N 1 2 381.289 3.650 20 30 GHEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000499057313 886521522 /nfs/dbraw/zinc/52/15/22/886521522.db2.gz UDIWDYFIODYSAA-CYBMUJFWSA-N 1 2 375.450 3.680 20 30 GHEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000499057313 886521528 /nfs/dbraw/zinc/52/15/28/886521528.db2.gz UDIWDYFIODYSAA-CYBMUJFWSA-N 1 2 375.450 3.680 20 30 GHEDLO CCOc1ccc(C#N)cc1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000193619530 886986218 /nfs/dbraw/zinc/98/62/18/886986218.db2.gz YAJVGLKZPSXAIX-UHFFFAOYSA-N 1 2 379.464 3.664 20 30 GHEDLO CC(C)(C)C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000488013255 887389888 /nfs/dbraw/zinc/38/98/88/887389888.db2.gz JYAZTLVNCBZTDE-QGZVFWFLSA-N 1 2 396.457 3.753 20 30 GHEDLO C=CCCC[N@@H+](C)Cn1nc([C@H]2COc3ccccc3O2)n(CC=C)c1=S ZINC000119743781 887483421 /nfs/dbraw/zinc/48/34/21/887483421.db2.gz UEQQYLQFLDCNBY-GOSISDBHSA-N 1 2 386.521 3.968 20 30 GHEDLO C=CCCC[N@H+](C)Cn1nc([C@H]2COc3ccccc3O2)n(CC=C)c1=S ZINC000119743781 887483430 /nfs/dbraw/zinc/48/34/30/887483430.db2.gz UEQQYLQFLDCNBY-GOSISDBHSA-N 1 2 386.521 3.968 20 30 GHEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2ccc(I)cc2)s1 ZINC000794695487 887867031 /nfs/dbraw/zinc/86/70/31/887867031.db2.gz OXAGAJMZXAOEGP-FPLPWBNLSA-N 1 2 398.269 3.705 20 30 GHEDLO CC(=[NH+]NC(=S)Nc1c(C)cccc1C)c1ccc(N2CCOCC2)cc1 ZINC000915912766 888552593 /nfs/dbraw/zinc/55/25/93/888552593.db2.gz WLNSUEHGPRAPNC-UHFFFAOYSA-N 1 2 382.533 3.851 20 30 GHEDLO CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810530261 888600578 /nfs/dbraw/zinc/60/05/78/888600578.db2.gz ZILNABJLAJVRGZ-JTSKRJEESA-N 1 2 387.499 3.671 20 30 GHEDLO CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810530261 888600585 /nfs/dbraw/zinc/60/05/85/888600585.db2.gz ZILNABJLAJVRGZ-JTSKRJEESA-N 1 2 387.499 3.671 20 30 GHEDLO C=CCn1c(C)cc(C(=O)COC(=O)Cc2c[nH+]cn2Cc2ccccc2)c1C ZINC000811327391 889448198 /nfs/dbraw/zinc/44/81/98/889448198.db2.gz SSXHEGDAMNUGDW-UHFFFAOYSA-N 1 2 391.471 3.504 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@H]1C1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000811455587 889616776 /nfs/dbraw/zinc/61/67/76/889616776.db2.gz MMLAWEKMYAEURW-INIZCTEOSA-N 1 2 376.526 3.626 20 30 GHEDLO N#Cc1ccc(NC(=O)N2CCC(F)(F)[C@@]3(CCN(c4cccc[nH+]4)C3)C2)cc1 ZINC001184732008 913400150 /nfs/dbraw/zinc/40/01/50/913400150.db2.gz TVNDUFYWMWTKQV-HXUWFJFHSA-N 1 2 397.429 3.723 20 30 GHEDLO C#C[C@H](NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(F)cc1 ZINC000812937213 891147523 /nfs/dbraw/zinc/14/75/23/891147523.db2.gz VIGVXBASEDNMTA-XLIONFOSSA-N 1 2 380.467 3.622 20 30 GHEDLO CCCOc1ccc(CN2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])cc1 ZINC000917141494 891460758 /nfs/dbraw/zinc/46/07/58/891460758.db2.gz XTDQBISJEHBEMB-UHFFFAOYSA-N 1 2 390.487 3.635 20 30 GHEDLO N#Cc1ccncc1N1CC[NH+](Cc2ccc(SC(F)(F)F)cc2)CC1 ZINC000814177386 892344385 /nfs/dbraw/zinc/34/43/85/892344385.db2.gz ZYHOZUJUZXJTSJ-UHFFFAOYSA-N 1 2 378.423 3.887 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c1C#N ZINC000611702475 892365471 /nfs/dbraw/zinc/36/54/71/892365471.db2.gz NYWGGNYORXHNOM-UHFFFAOYSA-N 1 2 399.498 3.903 20 30 GHEDLO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000174857090 893131086 /nfs/dbraw/zinc/13/10/86/893131086.db2.gz ZHRWOMATVBJOPW-MRXNPFEDSA-N 1 2 398.507 3.583 20 30 GHEDLO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000174857090 893131094 /nfs/dbraw/zinc/13/10/94/893131094.db2.gz ZHRWOMATVBJOPW-MRXNPFEDSA-N 1 2 398.507 3.583 20 30 GHEDLO CCOCCCn1c(N[NH+]=C(CC)c2cccc(N)c2)nc2ccccc2c1=O ZINC000814771986 893159673 /nfs/dbraw/zinc/15/96/73/893159673.db2.gz KTCCLJDBTLKWNE-UHFFFAOYSA-N 1 2 393.491 3.632 20 30 GHEDLO FC(F)(F)[C@H]1C=C([NH2+]Nc2nc(-c3ccccn3)nc3c2CCC3)CCO1 ZINC000814858365 893240228 /nfs/dbraw/zinc/24/02/28/893240228.db2.gz VPKINDYXFJSFSO-OAHLLOKOSA-N 1 2 377.370 3.537 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](Cc3ccnc(Br)c3)CC2)c(F)c1 ZINC000815116775 893448560 /nfs/dbraw/zinc/44/85/60/893448560.db2.gz DOPYFIXBLJVPQF-UHFFFAOYSA-N 1 2 390.256 3.898 20 30 GHEDLO C[C@H]1CC[N@H+](Cc2ccc(C3(C#N)CC3)cc2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000825933631 893465057 /nfs/dbraw/zinc/46/50/57/893465057.db2.gz BSTDGPDXHXXVNX-ZQIUZPCESA-N 1 2 379.426 3.519 20 30 GHEDLO C[C@H]1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000825933631 893465065 /nfs/dbraw/zinc/46/50/65/893465065.db2.gz BSTDGPDXHXXVNX-ZQIUZPCESA-N 1 2 379.426 3.519 20 30 GHEDLO CCn1cc([C@H](O)C[N@H+](Cc2ccccc2)Cc2cc(C#N)cnc2Cl)cn1 ZINC000877471985 893629316 /nfs/dbraw/zinc/62/93/16/893629316.db2.gz GOONMJPJTDPVFB-HXUWFJFHSA-N 1 2 395.894 3.559 20 30 GHEDLO CCn1cc([C@H](O)C[N@@H+](Cc2ccccc2)Cc2cc(C#N)cnc2Cl)cn1 ZINC000877471985 893629324 /nfs/dbraw/zinc/62/93/24/893629324.db2.gz GOONMJPJTDPVFB-HXUWFJFHSA-N 1 2 395.894 3.559 20 30 GHEDLO Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(C[NH+]4CCSCC4)cc3)[nH]c21 ZINC000563729995 894120378 /nfs/dbraw/zinc/12/03/78/894120378.db2.gz FCNKBWYFBBYWGS-GOSISDBHSA-N 1 2 390.512 3.910 20 30 GHEDLO CC(=O)[C@@](C#N)(CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000878286344 894163542 /nfs/dbraw/zinc/16/35/42/894163542.db2.gz NJCIJKLIOCWZOJ-QFIPXVFZSA-N 1 2 377.444 4.000 20 30 GHEDLO CC(=O)[C@@](C#N)(CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000878286344 894163551 /nfs/dbraw/zinc/16/35/51/894163551.db2.gz NJCIJKLIOCWZOJ-QFIPXVFZSA-N 1 2 377.444 4.000 20 30 GHEDLO C[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc(NC(=O)C2CC2)cc1 ZINC000537051896 894269304 /nfs/dbraw/zinc/26/93/04/894269304.db2.gz LIVCTCOKRSFVFN-AWEZNQCLSA-N 1 2 387.443 3.808 20 30 GHEDLO CCCCc1nc(C)c(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC001135336067 894407467 /nfs/dbraw/zinc/40/74/67/894407467.db2.gz QQKMZXVLQLMITR-UHFFFAOYSA-N 1 2 396.560 3.553 20 30 GHEDLO N#Cc1ccc(-c2nnc(C[N@@H+](Cc3cccs3)[C@@H]3C=C[C@H](CO)C3)o2)cc1 ZINC000564461874 895011845 /nfs/dbraw/zinc/01/18/45/895011845.db2.gz JIYASCPLSPUCMA-FUHWJXTLSA-N 1 2 392.484 3.609 20 30 GHEDLO N#Cc1ccc(-c2nnc(C[N@H+](Cc3cccs3)[C@@H]3C=C[C@H](CO)C3)o2)cc1 ZINC000564461874 895011861 /nfs/dbraw/zinc/01/18/61/895011861.db2.gz JIYASCPLSPUCMA-FUHWJXTLSA-N 1 2 392.484 3.609 20 30 GHEDLO COC(=O)C[N@H+](CCc1ccccc1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000565572079 895731841 /nfs/dbraw/zinc/73/18/41/895731841.db2.gz RQJRVPXWYSZMNE-UHFFFAOYSA-N 1 2 376.378 3.795 20 30 GHEDLO COC(=O)C[N@@H+](CCc1ccccc1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000565572079 895731843 /nfs/dbraw/zinc/73/18/43/895731843.db2.gz RQJRVPXWYSZMNE-UHFFFAOYSA-N 1 2 376.378 3.795 20 30 GHEDLO C=CCOC[C@@H]1C[N@H+](Cc2cccc3cccnc32)Cc2nnn(CC3CC3)c21 ZINC001137173320 896638710 /nfs/dbraw/zinc/63/87/10/896638710.db2.gz QGEYFCBVXRJYNF-FQEVSTJZSA-N 1 2 389.503 3.538 20 30 GHEDLO C=CCOC[C@@H]1C[N@@H+](Cc2cccc3cccnc32)Cc2nnn(CC3CC3)c21 ZINC001137173320 896638712 /nfs/dbraw/zinc/63/87/12/896638712.db2.gz QGEYFCBVXRJYNF-FQEVSTJZSA-N 1 2 389.503 3.538 20 30 GHEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccccc1SC[C@@H]1CC1(Cl)Cl ZINC000819418545 896714457 /nfs/dbraw/zinc/71/44/57/896714457.db2.gz JLCXFWFHJJEVAB-UONOGXRCSA-N 1 2 388.364 3.591 20 30 GHEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccccc1SC[C@@H]1CC1(Cl)Cl ZINC000819418545 896714470 /nfs/dbraw/zinc/71/44/70/896714470.db2.gz JLCXFWFHJJEVAB-UONOGXRCSA-N 1 2 388.364 3.591 20 30 GHEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000567607489 897291136 /nfs/dbraw/zinc/29/11/36/897291136.db2.gz XXSFZIAMKZLUQZ-VLQPXKRTSA-N 1 2 395.906 3.505 20 30 GHEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000567607489 897291151 /nfs/dbraw/zinc/29/11/51/897291151.db2.gz XXSFZIAMKZLUQZ-VLQPXKRTSA-N 1 2 395.906 3.505 20 30 GHEDLO N#Cc1ccc(Sc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2)nc1 ZINC000042848346 897933622 /nfs/dbraw/zinc/93/36/22/897933622.db2.gz IPYVHQPQIQLNRZ-UHFFFAOYSA-N 1 2 376.489 3.671 20 30 GHEDLO C#CCCOc1ccc(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000822576361 898488662 /nfs/dbraw/zinc/48/86/62/898488662.db2.gz ARHXYOBHORYCBP-KDURUIRLSA-N 1 2 392.499 3.950 20 30 GHEDLO C#CCCOc1ccc(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000822576361 898488668 /nfs/dbraw/zinc/48/86/68/898488668.db2.gz ARHXYOBHORYCBP-KDURUIRLSA-N 1 2 392.499 3.950 20 30 GHEDLO C=CCn1c(CC(F)(F)F)nnc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000569361750 898575791 /nfs/dbraw/zinc/57/57/91/898575791.db2.gz QBDRRUCREANLKX-UHFFFAOYSA-N 1 2 399.848 3.545 20 30 GHEDLO Cc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(C)c2)nn1-c1cccc(C#N)c1 ZINC001136624957 898608497 /nfs/dbraw/zinc/60/84/97/898608497.db2.gz RCAGWWHUCLEZBO-UHFFFAOYSA-N 1 2 382.427 3.799 20 30 GHEDLO C#C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1ccc(Cl)cc1F ZINC001275498540 914297004 /nfs/dbraw/zinc/29/70/04/914297004.db2.gz PXPRZIBISIQYHR-MRXNPFEDSA-N 1 2 398.781 3.677 20 30 GHEDLO C=CCOc1ccc(CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)cc1 ZINC000571189430 899770513 /nfs/dbraw/zinc/77/05/13/899770513.db2.gz ZHMNMLIXXYMXSV-NRFANRHFSA-N 1 2 382.529 3.658 20 30 GHEDLO CC[C@@H](C)CN(C)c1ccc(F)cc1C[NH+]1CCC(C#N)(C(=O)OC)CC1 ZINC000824866777 899845312 /nfs/dbraw/zinc/84/53/12/899845312.db2.gz HUBLLQHFQLDPKO-MRXNPFEDSA-N 1 2 375.488 3.587 20 30 GHEDLO C[N@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)Nc1ccc(F)c(C#N)c1)CC2 ZINC000333186767 900019758 /nfs/dbraw/zinc/01/97/58/900019758.db2.gz UNEFZZSGXDTSLP-KRWDZBQOSA-N 1 2 399.495 3.672 20 30 GHEDLO C[N@@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)Nc1ccc(F)c(C#N)c1)CC2 ZINC000333186767 900019767 /nfs/dbraw/zinc/01/97/67/900019767.db2.gz UNEFZZSGXDTSLP-KRWDZBQOSA-N 1 2 399.495 3.672 20 30 GHEDLO Cc1nsc(N2CC[NH+](Cc3cccc(OC(F)(F)F)c3)CC2)c1C#N ZINC000572657181 900243004 /nfs/dbraw/zinc/24/30/04/900243004.db2.gz YUUAZCAWCGVDOA-UHFFFAOYSA-N 1 2 382.411 3.544 20 30 GHEDLO N#Cc1cc(Oc2ccc(NC(=O)N3CCC(c4[nH]cc[nH+]4)CC3)cc2)ccn1 ZINC000573049188 900352580 /nfs/dbraw/zinc/35/25/80/900352580.db2.gz JBTKZJAXIRLDLK-UHFFFAOYSA-N 1 2 388.431 3.880 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886684462 901224890 /nfs/dbraw/zinc/22/48/90/901224890.db2.gz LWLBDUANKPTYEU-IRXDYDNUSA-N 1 2 395.532 3.689 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886684462 901224897 /nfs/dbraw/zinc/22/48/97/901224897.db2.gz LWLBDUANKPTYEU-IRXDYDNUSA-N 1 2 395.532 3.689 20 30 GHEDLO C=C[C@H](C)ONC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000845638631 902289573 /nfs/dbraw/zinc/28/95/73/902289573.db2.gz JFUQVMITQYADKV-AWEZNQCLSA-N 1 2 380.851 3.784 20 30 GHEDLO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3cc(F)c(O)cc3F)C2)CC1 ZINC001144646608 902551548 /nfs/dbraw/zinc/55/15/48/902551548.db2.gz DJQPMDJHFCKRGY-UHFFFAOYSA-N 1 2 380.435 3.671 20 30 GHEDLO C=CCOC(=O)N1CCC2(CCC[N@H+](Cc3cc(F)c(O)cc3F)C2)CC1 ZINC001144646608 902551558 /nfs/dbraw/zinc/55/15/58/902551558.db2.gz DJQPMDJHFCKRGY-UHFFFAOYSA-N 1 2 380.435 3.671 20 30 GHEDLO CCc1ccc(C#CC(=O)N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)cc1 ZINC001144928325 903189741 /nfs/dbraw/zinc/18/97/41/903189741.db2.gz ZHNJMPWOEDAISF-LJQANCHMSA-N 1 2 376.500 3.515 20 30 GHEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000577825621 903242440 /nfs/dbraw/zinc/24/24/40/903242440.db2.gz FZQXUNJHGCXMTP-LJQANCHMSA-N 1 2 386.459 3.509 20 30 GHEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000577825621 903242451 /nfs/dbraw/zinc/24/24/51/903242451.db2.gz FZQXUNJHGCXMTP-LJQANCHMSA-N 1 2 386.459 3.509 20 30 GHEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 ZINC000846988922 903367188 /nfs/dbraw/zinc/36/71/88/903367188.db2.gz WGTFLEHQGJQGDU-HNNXBMFYSA-N 1 2 384.867 3.813 20 30 GHEDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC001147578746 903827086 /nfs/dbraw/zinc/82/70/86/903827086.db2.gz PJSHIYMQLPCQMC-RJGXRXQPSA-N 1 2 389.499 3.568 20 30 GHEDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC001147578746 903827098 /nfs/dbraw/zinc/82/70/98/903827098.db2.gz PJSHIYMQLPCQMC-RJGXRXQPSA-N 1 2 389.499 3.568 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+]2C[C@@H](c3ccccc3)C[C@H]2C)c1=S ZINC000159865321 904247516 /nfs/dbraw/zinc/24/75/16/904247516.db2.gz SNNSIISOBFBWJL-AEFFLSMTSA-N 1 2 392.532 3.893 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+]2C[C@@H](c3ccccc3)C[C@H]2C)c1=S ZINC000159865321 904247530 /nfs/dbraw/zinc/24/75/30/904247530.db2.gz SNNSIISOBFBWJL-AEFFLSMTSA-N 1 2 392.532 3.893 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1[C@H](C)Cc1ccc(F)cc1Cl ZINC001172867564 905882253 /nfs/dbraw/zinc/88/22/53/905882253.db2.gz NWCZAIKGBVSMEY-AUUYWEPGSA-N 1 2 392.906 3.824 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1[C@H](C)Cc1ccc(F)cc1Cl ZINC001172867564 905882269 /nfs/dbraw/zinc/88/22/69/905882269.db2.gz NWCZAIKGBVSMEY-AUUYWEPGSA-N 1 2 392.906 3.824 20 30 GHEDLO CC(C)[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)Cc1cccc(F)c1 ZINC000299136520 921218354 /nfs/dbraw/zinc/21/83/54/921218354.db2.gz POZUNQXZXCKVGG-GOSISDBHSA-N 1 2 392.434 3.561 20 30 GHEDLO CC(C)[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)Cc1cccc(F)c1 ZINC000299136520 921218365 /nfs/dbraw/zinc/21/83/65/921218365.db2.gz POZUNQXZXCKVGG-GOSISDBHSA-N 1 2 392.434 3.561 20 30 GHEDLO CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3cccc(CC#N)c3)c[nH+]2)CC1 ZINC001174454837 907061956 /nfs/dbraw/zinc/06/19/56/907061956.db2.gz VJNWRLFMELXNBP-UHFFFAOYSA-N 1 2 393.491 3.948 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1ccc(Br)s1 ZINC000008164686 921301943 /nfs/dbraw/zinc/30/19/43/921301943.db2.gz HNJYJNFQFPFDNU-LLVKDONJSA-N 1 2 378.295 3.841 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1ccc(Br)s1 ZINC000008164686 921301945 /nfs/dbraw/zinc/30/19/45/921301945.db2.gz HNJYJNFQFPFDNU-LLVKDONJSA-N 1 2 378.295 3.841 20 30 GHEDLO COCCn1c2ccccc2[nH+]c1NCc1ccc(OC)c(OCCCC#N)c1 ZINC000185842194 907843511 /nfs/dbraw/zinc/84/35/11/907843511.db2.gz PXUBRIXPTCTZSP-UHFFFAOYSA-N 1 2 394.475 3.986 20 30 GHEDLO Cc1nc(C#N)c(Nc2ccc(C[NH+]3CCN(C(=O)OC(C)(C)C)CC3)cc2)o1 ZINC001176039815 907899241 /nfs/dbraw/zinc/89/92/41/907899241.db2.gz KNXZFRDYJYWXGT-UHFFFAOYSA-N 1 2 397.479 3.651 20 30 GHEDLO COc1cc[nH+]cc1Nc1cc(Cl)c(C#N)cc1I ZINC001176125345 907950395 /nfs/dbraw/zinc/95/03/95/907950395.db2.gz ZTZSAZCDFOXVIG-UHFFFAOYSA-N 1 2 385.592 3.963 20 30 GHEDLO C[N@H+](CC(=O)NCCc1cccc(Cl)c1Cl)Cc1cc(C#N)cs1 ZINC001176555893 908173983 /nfs/dbraw/zinc/17/39/83/908173983.db2.gz RCBKANQRZVCPGO-UHFFFAOYSA-N 1 2 382.316 3.717 20 30 GHEDLO C[N@@H+](CC(=O)NCCc1cccc(Cl)c1Cl)Cc1cc(C#N)cs1 ZINC001176555893 908173989 /nfs/dbraw/zinc/17/39/89/908173989.db2.gz RCBKANQRZVCPGO-UHFFFAOYSA-N 1 2 382.316 3.717 20 30 GHEDLO Cn1cc(C[N@H+](Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)cc1C#N ZINC000191238306 908597926 /nfs/dbraw/zinc/59/79/26/908597926.db2.gz FOWJNXWCKNBEIF-UHFFFAOYSA-N 1 2 388.471 3.584 20 30 GHEDLO Cn1cc(C[N@@H+](Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)cc1C#N ZINC000191238306 908597937 /nfs/dbraw/zinc/59/79/37/908597937.db2.gz FOWJNXWCKNBEIF-UHFFFAOYSA-N 1 2 388.471 3.584 20 30 GHEDLO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3csc(-c4ccsc4)n3)C2=O)cc1 ZINC000192242679 908742007 /nfs/dbraw/zinc/74/20/07/908742007.db2.gz HNVWKBQLQWJQJS-SFHVURJKSA-N 1 2 394.525 3.634 20 30 GHEDLO CC(C)(C)OC(=O)N1CCN(c2ccc(C[NH2+]CC3(C#N)CCCC3)o2)CC1 ZINC001179776337 909703189 /nfs/dbraw/zinc/70/31/89/909703189.db2.gz QVGGVTVBUJQPEI-UHFFFAOYSA-N 1 2 388.512 3.510 20 30 GHEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(Br)ccc1Cl ZINC001276031219 921535579 /nfs/dbraw/zinc/53/55/79/921535579.db2.gz FUPIFSMSANFWNW-SFHVURJKSA-N 1 2 395.728 3.693 20 30 GHEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Br)ccc1Cl ZINC001276031219 921535589 /nfs/dbraw/zinc/53/55/89/921535589.db2.gz FUPIFSMSANFWNW-SFHVURJKSA-N 1 2 395.728 3.693 20 30 GHEDLO N#Cc1ccccc1COc1ccc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000299640267 921537115 /nfs/dbraw/zinc/53/71/15/921537115.db2.gz INTXPXHTNAPCKP-UHFFFAOYSA-N 1 2 386.455 3.880 20 30 GHEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001181200775 910609147 /nfs/dbraw/zinc/60/91/47/910609147.db2.gz LFFOUEJIWAICND-RMKNXTFCSA-N 1 2 389.499 3.573 20 30 GHEDLO C#CC[C@H]([NH2+]Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1)c1ccccc1 ZINC000271683162 911013638 /nfs/dbraw/zinc/01/36/38/911013638.db2.gz IVFZSSQCROLPQU-KRWDZBQOSA-N 1 2 393.443 3.617 20 30 GHEDLO COc1ccc(C#CC(=O)NC[C@@H](c2ccc(Cl)cc2Cl)[NH+](C)C)cc1 ZINC001182050163 911158676 /nfs/dbraw/zinc/15/86/76/911158676.db2.gz VDXSDCPMLLKYCD-IBGZPJMESA-N 1 2 391.298 3.773 20 30 GHEDLO N#Cc1cnc(CNC(=O)[C@@H](c2ccc(Cl)cc2)[NH+]2CCCCCC2)s1 ZINC001182246708 911335477 /nfs/dbraw/zinc/33/54/77/911335477.db2.gz ZBFZIFACYWTWAC-GOSISDBHSA-N 1 2 388.924 3.902 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cccc(Cl)c1Cl)C2 ZINC001275653466 915665728 /nfs/dbraw/zinc/66/57/28/915665728.db2.gz NVPLWWRYDJXCIV-IBGZPJMESA-N 1 2 383.319 3.620 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cccc(Cl)c1Cl)C2 ZINC001275653466 915665734 /nfs/dbraw/zinc/66/57/34/915665734.db2.gz NVPLWWRYDJXCIV-IBGZPJMESA-N 1 2 383.319 3.620 20 30 GHEDLO CCCCCCCCS(=O)(=O)NCc1c[nH+]cn1Cc1ccccc1F ZINC001188029995 915722144 /nfs/dbraw/zinc/72/21/44/915722144.db2.gz CKUVRGQNKOMGQG-UHFFFAOYSA-N 1 2 381.517 3.850 20 30 GHEDLO C=C(C)Cc1ccc(C(=O)NCc2c[nH+]cn2Cc2ccccc2OC)cc1 ZINC001190233445 917191019 /nfs/dbraw/zinc/19/10/19/917191019.db2.gz VXLNKJWKTKEUFR-UHFFFAOYSA-N 1 2 375.472 3.989 20 30 GHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000119126091 919606774 /nfs/dbraw/zinc/60/67/74/919606774.db2.gz UKOSCBZLYYEEDX-KRWDZBQOSA-N 1 2 398.507 3.770 20 30 GHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000119126091 919606789 /nfs/dbraw/zinc/60/67/89/919606789.db2.gz UKOSCBZLYYEEDX-KRWDZBQOSA-N 1 2 398.507 3.770 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC[C@@H](OCC(C)C)C2)c1C#N ZINC000119563473 919637927 /nfs/dbraw/zinc/63/79/27/919637927.db2.gz WYCYNFYEJWNXRI-LJQANCHMSA-N 1 2 386.540 3.777 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@@H](OCC(C)C)C2)c1C#N ZINC000119563473 919637930 /nfs/dbraw/zinc/63/79/30/919637930.db2.gz WYCYNFYEJWNXRI-LJQANCHMSA-N 1 2 386.540 3.777 20 30 GHEDLO C=CCC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2noc(C)n2)CC1)c1ccccc1 ZINC000364713720 919894206 /nfs/dbraw/zinc/89/42/06/919894206.db2.gz GXEQEGAYXHDGLQ-LEWJYISDSA-N 1 2 396.535 3.941 20 30 GHEDLO C=CCC[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2noc(C)n2)CC1)c1ccccc1 ZINC000364713720 919894231 /nfs/dbraw/zinc/89/42/31/919894231.db2.gz GXEQEGAYXHDGLQ-LEWJYISDSA-N 1 2 396.535 3.941 20 30 GHEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c(F)cccc1Br ZINC001275946736 920039988 /nfs/dbraw/zinc/03/99/88/920039988.db2.gz WKJXQUPMZZYTDS-SFHVURJKSA-N 1 2 381.289 3.731 20 30 GHEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c(F)cccc1Br ZINC001275946736 920040006 /nfs/dbraw/zinc/04/00/06/920040006.db2.gz WKJXQUPMZZYTDS-SFHVURJKSA-N 1 2 381.289 3.731 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[C@H](C(F)(F)F)C3)CC2)cc1 ZINC000298691684 920812656 /nfs/dbraw/zinc/81/26/56/920812656.db2.gz YYEWBLUUCNYVQW-ROUUACIJSA-N 1 2 379.426 3.571 20 30 GHEDLO COc1ccc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c(Br)c1 ZINC000367318782 922035980 /nfs/dbraw/zinc/03/59/80/922035980.db2.gz SAACBKZABLMZPX-UHFFFAOYSA-N 1 2 386.293 3.910 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000371937350 925007395 /nfs/dbraw/zinc/00/73/95/925007395.db2.gz KEBHHGMYMBCTHQ-UHFFFAOYSA-N 1 2 381.863 3.672 20 30 GHEDLO C#C[C@@H](NC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000827227941 925056439 /nfs/dbraw/zinc/05/64/39/925056439.db2.gz NGAINJRBAFPYNZ-OAQYLSRUSA-N 1 2 376.504 3.704 20 30 GHEDLO CC(=[NH+]NC(=S)NCCc1ccccn1)c1ccc(N2CCCCCC2)cc1 ZINC000726418570 926654681 /nfs/dbraw/zinc/65/46/81/926654681.db2.gz AJDBRCYVRZBHMP-UHFFFAOYSA-N 1 2 395.576 3.893 20 30 GHEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 ZINC000411983191 926962887 /nfs/dbraw/zinc/96/28/87/926962887.db2.gz FKJLCBLPAZXFGT-URZJWIJPSA-N 1 2 377.463 3.706 20 30 GHEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ncc(C(F)(F)F)cc1Cl ZINC001276191532 927035632 /nfs/dbraw/zinc/03/56/32/927035632.db2.gz LFJMNKGPTBMUOS-QGZVFWFLSA-N 1 2 387.833 3.897 20 30 GHEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ncc(C(F)(F)F)cc1Cl ZINC001276191532 927035640 /nfs/dbraw/zinc/03/56/40/927035640.db2.gz LFJMNKGPTBMUOS-QGZVFWFLSA-N 1 2 387.833 3.897 20 30 GHEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000374381175 927078528 /nfs/dbraw/zinc/07/85/28/927078528.db2.gz RQBLYQKDFRRRMO-IBGZPJMESA-N 1 2 386.455 3.500 20 30 GHEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000469183233 929664452 /nfs/dbraw/zinc/66/44/52/929664452.db2.gz LMOXLKBUPQUHAN-UHFFFAOYSA-N 1 2 393.487 3.533 20 30 GHEDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000469183233 929664472 /nfs/dbraw/zinc/66/44/72/929664472.db2.gz LMOXLKBUPQUHAN-UHFFFAOYSA-N 1 2 393.487 3.533 20 30 GHEDLO C=CCOCC[NH2+][C@H](C)c1cc(Br)cc(Br)c1O ZINC000757636217 929753609 /nfs/dbraw/zinc/75/36/09/929753609.db2.gz ABRNVFHQOUFSSW-SECBINFHSA-N 1 2 379.092 3.770 20 30 GHEDLO N#Cc1cccc(-c2cc(C(=O)Nc3ccccc3OCCn3cc[nH+]c3)on2)c1 ZINC000469299622 929771914 /nfs/dbraw/zinc/77/19/14/929771914.db2.gz MHZRFPXPQVNWPM-UHFFFAOYSA-N 1 2 399.410 3.741 20 30 GHEDLO C#CC[C@@H](NC(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1)c1ccccc1 ZINC000757777631 929797046 /nfs/dbraw/zinc/79/70/46/929797046.db2.gz HFTAUDVZULETEC-WMZHIEFXSA-N 1 2 391.515 3.848 20 30 GHEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000469405229 929854321 /nfs/dbraw/zinc/85/43/21/929854321.db2.gz DNJNQOSTNZXXHM-ZHALLVOQSA-N 1 2 380.891 3.541 20 30 GHEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000469405229 929854359 /nfs/dbraw/zinc/85/43/59/929854359.db2.gz DNJNQOSTNZXXHM-ZHALLVOQSA-N 1 2 380.891 3.541 20 30 GHEDLO O=C(/C=C/c1c[nH+]c2ccc(Cl)cn12)c1cc2c(s1)SCC(=O)N2 ZINC000758062046 929905768 /nfs/dbraw/zinc/90/57/68/929905768.db2.gz GFZVPASEPFHKBH-NSCUHMNNSA-N 1 2 375.862 3.990 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)cc1Cl ZINC000469472584 929922004 /nfs/dbraw/zinc/92/20/04/929922004.db2.gz NISAAQXRXKIHQN-CYBMUJFWSA-N 1 2 375.806 3.918 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)cc1Cl ZINC000469472584 929922010 /nfs/dbraw/zinc/92/20/10/929922010.db2.gz NISAAQXRXKIHQN-CYBMUJFWSA-N 1 2 375.806 3.918 20 30 GHEDLO C=CCn1c(C)nn(C[N@@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1=S ZINC000758265265 929994946 /nfs/dbraw/zinc/99/49/46/929994946.db2.gz WFMZTIXPSDDHFC-ZWKOTPCHSA-N 1 2 376.501 3.857 20 30 GHEDLO C=CCn1c(C)nn(C[N@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1=S ZINC000758265265 929994957 /nfs/dbraw/zinc/99/49/57/929994957.db2.gz WFMZTIXPSDDHFC-ZWKOTPCHSA-N 1 2 376.501 3.857 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@@H](O)c2ccc(Cl)cc2Cl)c1 ZINC000759121648 930280597 /nfs/dbraw/zinc/28/05/97/930280597.db2.gz DQXJNFSFZZFRRF-GOSISDBHSA-N 1 2 377.271 3.579 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H](O)c2ccc(Cl)cc2Cl)c1 ZINC000759121648 930280602 /nfs/dbraw/zinc/28/06/02/930280602.db2.gz DQXJNFSFZZFRRF-GOSISDBHSA-N 1 2 377.271 3.579 20 30 GHEDLO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cnn(-c3cc(C)cc(C)c3)n2)c1 ZINC000781417030 930835852 /nfs/dbraw/zinc/83/58/52/930835852.db2.gz XUHGWEDEZFGUIR-NRFANRHFSA-N 1 2 375.476 3.855 20 30 GHEDLO C=CCn1c(SCc2cc[nH+]c(N(C)C)c2)nnc1-c1ccccc1OC ZINC000782109519 931092866 /nfs/dbraw/zinc/09/28/66/931092866.db2.gz BXWYFWOEGREZIT-UHFFFAOYSA-N 1 2 381.505 3.893 20 30 GHEDLO C=CCS(=O)(=O)CC[NH2+][C@@H](c1cccc(SC)c1)c1cc(F)ccc1F ZINC000783530944 931573730 /nfs/dbraw/zinc/57/37/30/931573730.db2.gz FECAFCOWJYAFPH-IBGZPJMESA-N 1 2 397.512 3.967 20 30 GHEDLO CC[C@@H]([NH2+]Cc1nnc2n1CCC[C@@H]2C(F)(F)F)c1cccc(C#N)c1O ZINC000925173701 931689411 /nfs/dbraw/zinc/68/94/11/931689411.db2.gz ZFSLZMOXBLKFFI-UONOGXRCSA-N 1 2 379.386 3.536 20 30 GHEDLO COc1ccccc1N1CC[NH+](Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000558567795 932078936 /nfs/dbraw/zinc/07/89/36/932078936.db2.gz OZKDTJUVLGCURF-UHFFFAOYSA-N 1 2 375.394 3.908 20 30 GHEDLO C=CCn1c(C2CCCC2)nnc1N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000558662762 932149204 /nfs/dbraw/zinc/14/92/04/932149204.db2.gz DZYSGRNZLONTJU-UHFFFAOYSA-N 1 2 399.514 3.592 20 30 GHEDLO C=CCn1c(-c2cccnc2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000558675205 932157784 /nfs/dbraw/zinc/15/77/84/932157784.db2.gz VMUSDDKMYALMJJ-UHFFFAOYSA-N 1 2 394.910 3.502 20 30 GHEDLO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2ccc(Cl)c3cccnc23)[C@@H](C#N)C1 ZINC000798275139 932588960 /nfs/dbraw/zinc/58/89/60/932588960.db2.gz NTTFNMDIJNYPBE-YOEHRIQHSA-N 1 2 386.883 3.737 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)/C=C/c2ccccc2C#N)[C@H](C)C1 ZINC000799425126 932998998 /nfs/dbraw/zinc/99/89/98/932998998.db2.gz GRYWUXGJNPQJPR-JXOMPUQVSA-N 1 2 389.499 3.703 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)/C=C/c2ccccc2C#N)[C@H](C)C1 ZINC000799425126 932999006 /nfs/dbraw/zinc/99/90/06/932999006.db2.gz GRYWUXGJNPQJPR-JXOMPUQVSA-N 1 2 389.499 3.703 20 30 GHEDLO N#Cc1cccc(OC2CC[NH+](CC(=O)Nc3ccc4c(c3)CCC4)CC2)c1 ZINC000560677369 933445068 /nfs/dbraw/zinc/44/50/68/933445068.db2.gz JGUCQNQBVGJJMS-UHFFFAOYSA-N 1 2 375.472 3.529 20 30 GHEDLO C#C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccnc1)c1ccc(Cl)cc1F ZINC001117291162 933920588 /nfs/dbraw/zinc/92/05/88/933920588.db2.gz XFJKPJZOEGRPCL-PMACEKPBSA-N 1 2 385.870 3.719 20 30 GHEDLO C#C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1cccnc1)c1ccc(Cl)cc1F ZINC001117291162 933920607 /nfs/dbraw/zinc/92/06/07/933920607.db2.gz XFJKPJZOEGRPCL-PMACEKPBSA-N 1 2 385.870 3.719 20 30 GHEDLO Cc1nsc(NCCc2cn3cc(Br)cc(C)c3[nH+]2)c1C#N ZINC000561262759 934000869 /nfs/dbraw/zinc/00/08/69/934000869.db2.gz LUICQSBHHIIIEY-UHFFFAOYSA-N 1 2 376.283 3.696 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001121682909 934737732 /nfs/dbraw/zinc/73/77/32/934737732.db2.gz XRVBEKTZHGAXJO-AVRDEDQJSA-N 1 2 378.524 3.787 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001121682909 934737736 /nfs/dbraw/zinc/73/77/36/934737736.db2.gz XRVBEKTZHGAXJO-AVRDEDQJSA-N 1 2 378.524 3.787 20 30 GHEDLO CCN(c1nnc(C2CC[NH+](CCC#N)CC2)n1Cc1ccccc1)C(C)C ZINC001122155633 934834064 /nfs/dbraw/zinc/83/40/64/934834064.db2.gz PWNSONLUMMREHN-UHFFFAOYSA-N 1 2 380.540 3.654 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCCO[C@@H](c2ccccc2)C1 ZINC001122623396 934924532 /nfs/dbraw/zinc/92/45/32/934924532.db2.gz SRZSNJWZVVPZNC-NHCUHLMSSA-N 1 2 395.551 3.979 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCCO[C@@H](c2ccccc2)C1 ZINC001122623396 934924536 /nfs/dbraw/zinc/92/45/36/934924536.db2.gz SRZSNJWZVVPZNC-NHCUHLMSSA-N 1 2 395.551 3.979 20 30 GHEDLO N#Cc1ccc(Oc2ccc(C(=O)N3CCC(Cc4c[nH]c[nH+]4)CC3)cc2)nc1 ZINC001124075689 935338846 /nfs/dbraw/zinc/33/88/46/935338846.db2.gz RCLQUMQLYBDVCV-UHFFFAOYSA-N 1 2 387.443 3.564 20 30 GHEDLO COc1ccc(C[NH+]2CCN(c3ccc(Br)cc3)CC2)c(C#N)c1 ZINC001137699487 935731166 /nfs/dbraw/zinc/73/11/66/935731166.db2.gz JJECDXSWCXDMPK-UHFFFAOYSA-N 1 2 386.293 3.652 20 30 GHEDLO N#Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)ccc1F ZINC000468269078 1015530202 /nfs/dbraw/zinc/53/02/02/1015530202.db2.gz CAWGCYADDDDNES-SFHVURJKSA-N 1 2 377.419 3.838 20 30 GHEDLO N#Cc1cc(C[N@H+]2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)ccc1F ZINC000468269078 1015530210 /nfs/dbraw/zinc/53/02/10/1015530210.db2.gz CAWGCYADDDDNES-SFHVURJKSA-N 1 2 377.419 3.838 20 30 GHEDLO CCCCOc1ccccc1C[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000468402380 1015671101 /nfs/dbraw/zinc/67/11/01/1015671101.db2.gz PGZWJPXOUXYUIP-FDDCHVKYSA-N 1 2 375.472 3.711 20 30 GHEDLO CCCCOc1ccccc1C[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000468402380 1015671104 /nfs/dbraw/zinc/67/11/04/1015671104.db2.gz PGZWJPXOUXYUIP-FDDCHVKYSA-N 1 2 375.472 3.711 20 30 GHEDLO CC(C)c1ccccc1S(=O)(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000468817676 1016064931 /nfs/dbraw/zinc/06/49/31/1016064931.db2.gz CQUJSUXQPJLYLA-UHFFFAOYSA-N 1 2 397.544 3.578 20 30 GHEDLO CC(C)c1ccccc1S(=O)(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000468817676 1016064943 /nfs/dbraw/zinc/06/49/43/1016064943.db2.gz CQUJSUXQPJLYLA-UHFFFAOYSA-N 1 2 397.544 3.578 20 30 GHEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2ccc3occ(Br)c3c2)C1=O ZINC001276459230 1032763976 /nfs/dbraw/zinc/76/39/76/1032763976.db2.gz TZSPESGEORRHTN-LJQANCHMSA-N 1 2 389.293 3.948 20 30 GHEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2ccc3occ(Br)c3c2)C1=O ZINC001276459230 1032764000 /nfs/dbraw/zinc/76/40/00/1032764000.db2.gz TZSPESGEORRHTN-LJQANCHMSA-N 1 2 389.293 3.948 20 30 GHEDLO Cc1nc(C[N@@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)oc1C ZINC000932943609 1018772812 /nfs/dbraw/zinc/77/28/12/1018772812.db2.gz NPRKOEKNEVACIW-DTORHVGOSA-N 1 2 378.263 3.894 20 30 GHEDLO Cc1nc(C[N@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)oc1C ZINC000932943609 1018772829 /nfs/dbraw/zinc/77/28/29/1018772829.db2.gz NPRKOEKNEVACIW-DTORHVGOSA-N 1 2 378.263 3.894 20 30 GHEDLO Fc1cnccc1C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944882 1018775823 /nfs/dbraw/zinc/77/58/23/1018775823.db2.gz OBMVRULKNQERTR-DTORHVGOSA-N 1 2 378.238 3.824 20 30 GHEDLO Fc1cnccc1C[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944882 1018775835 /nfs/dbraw/zinc/77/58/35/1018775835.db2.gz OBMVRULKNQERTR-DTORHVGOSA-N 1 2 378.238 3.824 20 30 GHEDLO Cn1cc([C@@H]2CSCCC[N@@H+]2Cc2ccc(C#N)cc2Br)cn1 ZINC000933976220 1018896817 /nfs/dbraw/zinc/89/68/17/1018896817.db2.gz NNRCXNLZSNCPJO-KRWDZBQOSA-N 1 2 391.338 3.734 20 30 GHEDLO Cn1cc([C@@H]2CSCCC[N@H+]2Cc2ccc(C#N)cc2Br)cn1 ZINC000933976220 1018896832 /nfs/dbraw/zinc/89/68/32/1018896832.db2.gz NNRCXNLZSNCPJO-KRWDZBQOSA-N 1 2 391.338 3.734 20 30 GHEDLO COc1ccc(OC)c(C[NH+]2CCN(Cc3cccc(C#N)c3Cl)CC2)c1 ZINC001140811334 1022600743 /nfs/dbraw/zinc/60/07/43/1022600743.db2.gz PJJSIYLXIXPSLQ-UHFFFAOYSA-N 1 2 385.895 3.547 20 30 GHEDLO CN(Cc1ccco1)[C@@H]1C[N@H+](Cc2cccc(C#N)c2Cl)[C@@H]2CCCO[C@H]12 ZINC001140813386 1022610375 /nfs/dbraw/zinc/61/03/75/1022610375.db2.gz GYLDWCNZXXKWKZ-SBHAEUEKSA-N 1 2 385.895 3.668 20 30 GHEDLO CN(Cc1ccco1)[C@@H]1C[N@@H+](Cc2cccc(C#N)c2Cl)[C@@H]2CCCO[C@H]12 ZINC001140813386 1022610376 /nfs/dbraw/zinc/61/03/76/1022610376.db2.gz GYLDWCNZXXKWKZ-SBHAEUEKSA-N 1 2 385.895 3.668 20 30 GHEDLO COc1cc(F)c(C[NH+]2CCC(Oc3ccc(C#N)cc3OC)CC2)c(F)c1 ZINC001140828699 1022643811 /nfs/dbraw/zinc/64/38/11/1022643811.db2.gz WDJJYUYHSGPMRI-UHFFFAOYSA-N 1 2 388.414 3.897 20 30 GHEDLO COc1ccc(COC(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)cc1C#N ZINC000754952797 1022982414 /nfs/dbraw/zinc/98/24/14/1022982414.db2.gz NTIYUKQBYYLSHS-UHFFFAOYSA-N 1 2 388.427 3.634 20 30 GHEDLO COc1ccc(NC(=S)NN=Cc2[nH+]c(C(C)C)n3ccccc23)cc1OC ZINC000755531887 1023285694 /nfs/dbraw/zinc/28/56/94/1023285694.db2.gz KQKJTTDRBYKQQL-UHFFFAOYSA-N 1 2 397.504 3.795 20 30 GHEDLO COc1cccc(C(=O)C2CC[NH+](Cc3sc(N)c(C#N)c3Cl)CC2)c1 ZINC001141106889 1023515676 /nfs/dbraw/zinc/51/56/76/1023515676.db2.gz KJXMPRGZQZWLHD-UHFFFAOYSA-N 1 2 389.908 3.959 20 30 GHEDLO CCOc1ccc(N2CC[NH+](Cc3sc(N)c(C#N)c3Cl)CC2)cc1 ZINC001141113943 1023530752 /nfs/dbraw/zinc/53/07/52/1023530752.db2.gz WJNMKYABGSQNIZ-UHFFFAOYSA-N 1 2 376.913 3.576 20 30 GHEDLO C#CC[C@@H](NC(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1)c1ccccc1 ZINC000757058570 1023922377 /nfs/dbraw/zinc/92/23/77/1023922377.db2.gz HRGDSLPDPCIYIU-HSZRJFAPSA-N 1 2 391.515 3.677 20 30 GHEDLO CCOc1cc(C[NH+]2CCN(CCC#N)CC2)ccc1OCc1ccccc1 ZINC001138289322 1024560249 /nfs/dbraw/zinc/56/02/49/1024560249.db2.gz UQPBSDQYRZIYJP-UHFFFAOYSA-N 1 2 379.504 3.696 20 30 GHEDLO C[C@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccc(N2CCCOC2=O)cc1 ZINC000839026794 1025528241 /nfs/dbraw/zinc/52/82/41/1025528241.db2.gz ADLATCQCJJAHLJ-AWEZNQCLSA-N 1 2 380.404 3.664 20 30 GHEDLO N#Cc1ccnnc1N1CC[NH+]([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC001162384388 1025729914 /nfs/dbraw/zinc/72/99/14/1025729914.db2.gz KYXTYNZRZIUMLJ-OAQYLSRUSA-N 1 2 389.890 3.913 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1Cc1cccc(-c2ccc(F)cc2)c1 ZINC001139069050 1025869832 /nfs/dbraw/zinc/86/98/32/1025869832.db2.gz TVZITGMFFJDUDJ-JOCHJYFZSA-N 1 2 392.478 3.923 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1Cc1cccc(-c2ccc(F)cc2)c1 ZINC001139069050 1025869854 /nfs/dbraw/zinc/86/98/54/1025869854.db2.gz TVZITGMFFJDUDJ-JOCHJYFZSA-N 1 2 392.478 3.923 20 30 GHEDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001139133992 1025946755 /nfs/dbraw/zinc/94/67/55/1025946755.db2.gz VKRSZYBUVUMJHL-SFHVURJKSA-N 1 2 390.439 3.722 20 30 GHEDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001139133992 1025946758 /nfs/dbraw/zinc/94/67/58/1025946758.db2.gz VKRSZYBUVUMJHL-SFHVURJKSA-N 1 2 390.439 3.722 20 30 GHEDLO N#Cc1ccccc1N1CC[NH+](Cc2cccn2Cc2cnc(Cl)s2)CC1 ZINC001139364577 1026240156 /nfs/dbraw/zinc/24/01/56/1026240156.db2.gz YGXCBGGRWMGTSI-UHFFFAOYSA-N 1 2 397.935 3.840 20 30 GHEDLO N#Cc1ccnc(-c2ccc(C[NH+]3CC(N4Cc5ccccc5NC4=O)C3)cc2)c1 ZINC001139406599 1026279214 /nfs/dbraw/zinc/27/92/14/1026279214.db2.gz WDDLERLGZQZLSQ-UHFFFAOYSA-N 1 2 395.466 3.852 20 30 GHEDLO N#Cc1nc(Cl)ccc1C(F)(F)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001163845666 1026338129 /nfs/dbraw/zinc/33/81/29/1026338129.db2.gz LMVSQCUJTHWJFL-QPJJXVBHSA-N 1 2 388.849 3.987 20 30 GHEDLO CCOC[C@@H]1C[N@H+](Cc2c[nH]c3c2cccc3C#N)Cc2ncn(CC3CC3)c21 ZINC001139703290 1026548769 /nfs/dbraw/zinc/54/87/69/1026548769.db2.gz LVJPJPDHSPDVRM-IBGZPJMESA-N 1 2 389.503 3.782 20 30 GHEDLO CCOC[C@@H]1C[N@@H+](Cc2c[nH]c3c2cccc3C#N)Cc2ncn(CC3CC3)c21 ZINC001139703290 1026548774 /nfs/dbraw/zinc/54/87/74/1026548774.db2.gz LVJPJPDHSPDVRM-IBGZPJMESA-N 1 2 389.503 3.782 20 30 GHEDLO C=CCn1cc(C[NH+]2CCN([C@@H](C)c3ccc(Br)cc3)CC2)cn1 ZINC001139774578 1026607383 /nfs/dbraw/zinc/60/73/83/1026607383.db2.gz NANGSBAVPRXJNG-INIZCTEOSA-N 1 2 389.341 3.710 20 30 GHEDLO C=CCOC[C@H]1CCC[C@@]12CN(c1ccc3c(cc(OC)cc3OC)[nH+]1)CCO2 ZINC001166370587 1026987448 /nfs/dbraw/zinc/98/74/48/1026987448.db2.gz SMKIHHZFLLOUBQ-UZUQRXQVSA-N 1 2 398.503 3.830 20 30 GHEDLO CSc1cc[nH+]c(N2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)c1 ZINC001166455341 1027005436 /nfs/dbraw/zinc/00/54/36/1027005436.db2.gz CAUMOHUHISFOLA-QFIPXVFZSA-N 1 2 394.544 3.799 20 30 GHEDLO Cc1cc(C#N)ccc1Nc1ccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC001210376419 1027478424 /nfs/dbraw/zinc/47/84/24/1027478424.db2.gz YDKNMBXSCWKVAN-UHFFFAOYSA-N 1 2 397.482 3.968 20 30 GHEDLO Cc1ccc(C#N)cc1Nc1cncnc1[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001210498187 1027535366 /nfs/dbraw/zinc/53/53/66/1027535366.db2.gz LGBQKPIRAJQVFH-JOCHJYFZSA-N 1 2 385.471 3.974 20 30 GHEDLO Cc1ccc(C#N)cc1Nc1cncnc1[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001210498187 1027535378 /nfs/dbraw/zinc/53/53/78/1027535378.db2.gz LGBQKPIRAJQVFH-JOCHJYFZSA-N 1 2 385.471 3.974 20 30 GHEDLO CC(=O)N1CCCC[C@]12CCC[N@H+](Cc1cc(Br)ccc1C#N)C2 ZINC001141900686 1027621204 /nfs/dbraw/zinc/62/12/04/1027621204.db2.gz BRNWFVSPLNFBAZ-LJQANCHMSA-N 1 2 390.325 3.688 20 30 GHEDLO CC(=O)N1CCCC[C@]12CCC[N@@H+](Cc1cc(Br)ccc1C#N)C2 ZINC001141900686 1027621212 /nfs/dbraw/zinc/62/12/12/1027621212.db2.gz BRNWFVSPLNFBAZ-LJQANCHMSA-N 1 2 390.325 3.688 20 30 GHEDLO CCCCOC(=O)N1CCN(c2[nH+]cccc2Nc2ccccc2C#N)CC1 ZINC001210737459 1027630833 /nfs/dbraw/zinc/63/08/33/1027630833.db2.gz HRKJEJBTWJDOQF-UHFFFAOYSA-N 1 2 379.464 3.756 20 30 GHEDLO CSc1nc(C[NH+]2CC3(C2)CCN(C(=O)OC(C)(C)C)CC3)ccc1C#N ZINC001141932046 1027692055 /nfs/dbraw/zinc/69/20/55/1027692055.db2.gz RIKQBJOBTQGAOO-UHFFFAOYSA-N 1 2 388.537 3.508 20 30 GHEDLO N#Cc1ccc(C[N@H+]2Cc3c(cnn3CC3CC3)[C@H](COCC3CC3)C2)cc1 ZINC001203901145 1027694537 /nfs/dbraw/zinc/69/45/37/1027694537.db2.gz GULNTMSKIUTMKX-NRFANRHFSA-N 1 2 376.504 3.691 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2Cc3c(cnn3CC3CC3)[C@H](COCC3CC3)C2)cc1 ZINC001203901145 1027694545 /nfs/dbraw/zinc/69/45/45/1027694545.db2.gz GULNTMSKIUTMKX-NRFANRHFSA-N 1 2 376.504 3.691 20 30 GHEDLO CSc1nc(C[N@@H+]2C[C@H](NC(=O)OC(C)(C)C)CC[C@H]2C)ccc1C#N ZINC001141941237 1027715376 /nfs/dbraw/zinc/71/53/76/1027715376.db2.gz AQWUBLDDDXTTHW-CZUORRHYSA-N 1 2 376.526 3.553 20 30 GHEDLO CSc1nc(C[N@H+]2C[C@H](NC(=O)OC(C)(C)C)CC[C@H]2C)ccc1C#N ZINC001141941237 1027715390 /nfs/dbraw/zinc/71/53/90/1027715390.db2.gz AQWUBLDDDXTTHW-CZUORRHYSA-N 1 2 376.526 3.553 20 30 GHEDLO CSc1nc(C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)CC[C@@H]2C)ccc1C#N ZINC001141941235 1027715673 /nfs/dbraw/zinc/71/56/73/1027715673.db2.gz AQWUBLDDDXTTHW-BBRMVZONSA-N 1 2 376.526 3.553 20 30 GHEDLO CSc1nc(C[N@H+]2C[C@@H](NC(=O)OC(C)(C)C)CC[C@@H]2C)ccc1C#N ZINC001141941235 1027715692 /nfs/dbraw/zinc/71/56/92/1027715692.db2.gz AQWUBLDDDXTTHW-BBRMVZONSA-N 1 2 376.526 3.553 20 30 GHEDLO CC#Cc1cncc(Nc2ccc[nH+]c2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001211056443 1027770674 /nfs/dbraw/zinc/77/06/74/1027770674.db2.gz PDCQQZGOMZTWGL-QGZVFWFLSA-N 1 2 393.491 3.695 20 30 GHEDLO C#CCOc1cccc(Cl)c1CNc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC001461462505 1069560850 /nfs/dbraw/zinc/56/08/50/1069560850.db2.gz SQQIZKHSZYSGTD-IYBDPMFKSA-N 1 2 385.895 3.973 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1CCN(c2[nH+]cccc2Nc2cccc(C#N)c2F)C1 ZINC001216414159 1029631577 /nfs/dbraw/zinc/63/15/77/1029631577.db2.gz IZZDJFFJXGJUNM-OAHLLOKOSA-N 1 2 397.454 3.939 20 30 GHEDLO COc1cc(O[C@H]2CC[NH2+]CC2(F)F)ccc1C(=O)/C=C/c1ccc(O)cc1 ZINC001218012607 1030723790 /nfs/dbraw/zinc/72/37/90/1030723790.db2.gz KBTZPDNAAPCZBQ-ZTJJKMQJSA-N 1 2 389.398 3.673 20 30 GHEDLO C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(F)cc(Br)c1F)CC2 ZINC001277028279 1031324164 /nfs/dbraw/zinc/32/41/64/1031324164.db2.gz JYXCTXDXFBLEIZ-CQSZACIVSA-N 1 2 399.279 3.632 20 30 GHEDLO N#Cc1ccccc1C1(C(=O)Nc2ccc(O[C@@H]3CC[NH2+]CC3(F)F)cc2)CC1 ZINC001219456867 1031430843 /nfs/dbraw/zinc/43/08/43/1031430843.db2.gz VECCZFZKVMPLND-LJQANCHMSA-N 1 2 397.425 3.605 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(O[C@H]4CCOC4)cc3)CC2)c(Cl)c1 ZINC001205556017 1033470156 /nfs/dbraw/zinc/47/01/56/1033470156.db2.gz ZZIOHHBYPYMMJF-FQEVSTJZSA-N 1 2 397.906 3.702 20 30 GHEDLO CCC[C@H](CC(=O)OC)Oc1nc(C)c(-c2ccc3[nH+]ccn3c2)cc1C#N ZINC001229768622 1033699294 /nfs/dbraw/zinc/69/92/94/1033699294.db2.gz NNIQVAHEYHGDHY-QGZVFWFLSA-N 1 2 378.432 3.687 20 30 GHEDLO COc1ccc(C[NH+]2CCOCC2)cc1-c1c(F)c(F)c(C#N)c(F)c1F ZINC001206526388 1033890047 /nfs/dbraw/zinc/89/00/47/1033890047.db2.gz OZAAFWXUYBHGLW-UHFFFAOYSA-N 1 2 380.341 3.622 20 30 GHEDLO N#Cc1ccc(-c2cc(N3CC[NH+](Cc4cccc(Cl)c4O)CC3)n[nH]2)cc1 ZINC001206578301 1033913946 /nfs/dbraw/zinc/91/39/46/1033913946.db2.gz UTNXBKFKOACXMQ-UHFFFAOYSA-N 1 2 393.878 3.630 20 30 GHEDLO C=CCN(CC[N@H+]1CCc2sc(C(=O)OCC)cc2C1)C(=O)OC(C)(C)C ZINC001207206230 1034174820 /nfs/dbraw/zinc/17/48/20/1034174820.db2.gz SNAALQIGZJWNDM-UHFFFAOYSA-N 1 2 394.537 3.706 20 30 GHEDLO C=CCN(CC[N@@H+]1CCc2sc(C(=O)OCC)cc2C1)C(=O)OC(C)(C)C ZINC001207206230 1034174822 /nfs/dbraw/zinc/17/48/22/1034174822.db2.gz SNAALQIGZJWNDM-UHFFFAOYSA-N 1 2 394.537 3.706 20 30 GHEDLO Cc1c(Cl)c(Cl)nc(N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)c1C#N ZINC001158623344 1034206231 /nfs/dbraw/zinc/20/62/31/1034206231.db2.gz GBWVWOUCBUEHFW-LBPRGKRZSA-N 1 2 375.250 3.878 20 30 GHEDLO N#Cc1ccccc1OC1CC[NH+](CCc2c(Cl)ncnc2Cl)CC1 ZINC001207331604 1034278934 /nfs/dbraw/zinc/27/89/34/1034278934.db2.gz NZZOVSKIJFDQPM-UHFFFAOYSA-N 1 2 377.275 3.741 20 30 GHEDLO N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)c1 ZINC001158851448 1034302788 /nfs/dbraw/zinc/30/27/88/1034302788.db2.gz HPETUZLXSZNBMK-INIZCTEOSA-N 1 2 378.819 3.555 20 30 GHEDLO COc1cc(C#N)ccc1C[NH+]1CC(c2ncn3cc(Br)ccc23)C1 ZINC001231619845 1034777936 /nfs/dbraw/zinc/77/79/36/1034777936.db2.gz KDKWEMSAZKUIJQ-UHFFFAOYSA-N 1 2 397.276 3.576 20 30 GHEDLO O[C@@]1(C(F)(F)F)CC[N@H+](Cc2cnc(C(F)(F)F)cc2Cl)CC[C@H]1F ZINC001231899259 1034977730 /nfs/dbraw/zinc/97/77/30/1034977730.db2.gz DGKNWFMGFXMCGJ-PWSUYJOCSA-N 1 2 394.718 3.981 20 30 GHEDLO O[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cnc(C(F)(F)F)cc2Cl)CC[C@H]1F ZINC001231899259 1034977735 /nfs/dbraw/zinc/97/77/35/1034977735.db2.gz DGKNWFMGFXMCGJ-PWSUYJOCSA-N 1 2 394.718 3.981 20 30 GHEDLO N#Cc1ccnc(N2CC[NH+](Cc3c[nH]c4c3cccc4Br)CC2)c1 ZINC001232020439 1035047894 /nfs/dbraw/zinc/04/78/94/1035047894.db2.gz ZYTCELQPYOYNBZ-UHFFFAOYSA-N 1 2 396.292 3.519 20 30 GHEDLO C[C@H](c1ccccc1)N(C(=O)C[NH2+]CCC#N)[C@@H]1CC[C@H]1OCc1ccccc1 ZINC001161607752 1035271563 /nfs/dbraw/zinc/27/15/63/1035271563.db2.gz IHLOBXSUHIUJLW-UEVCKROQSA-N 1 2 391.515 3.827 20 30 GHEDLO C=CCOC[C@H]1C[N@H+](Cc2cccc3ncsc32)Cc2nnn(CC3CC3)c21 ZINC001232731163 1038522860 /nfs/dbraw/zinc/52/28/60/1038522860.db2.gz QMONKKROGPQBOD-QGZVFWFLSA-N 1 2 395.532 3.600 20 30 GHEDLO C=CCOC[C@H]1C[N@@H+](Cc2cccc3ncsc32)Cc2nnn(CC3CC3)c21 ZINC001232731163 1038522863 /nfs/dbraw/zinc/52/28/63/1038522863.db2.gz QMONKKROGPQBOD-QGZVFWFLSA-N 1 2 395.532 3.600 20 30 GHEDLO C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(N(C)C)c(C#N)c1F ZINC001233102204 1038884305 /nfs/dbraw/zinc/88/43/05/1038884305.db2.gz SBKJHLAYZKWSJP-GOEBONIOSA-N 1 2 390.503 3.641 20 30 GHEDLO C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(N(C)C)c(C#N)c1F ZINC001233102204 1038884336 /nfs/dbraw/zinc/88/43/36/1038884336.db2.gz SBKJHLAYZKWSJP-GOEBONIOSA-N 1 2 390.503 3.641 20 30 GHEDLO C=CCOCc1ncn2c1C[N@H+](Cc1cccc(C(F)(F)F)c1O)CCC2 ZINC001233416703 1039272983 /nfs/dbraw/zinc/27/29/83/1039272983.db2.gz SCUUNMLIQQKSHT-UHFFFAOYSA-N 1 2 381.398 3.716 20 30 GHEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1cccc(C(F)(F)F)c1O)CCC2 ZINC001233416703 1039272994 /nfs/dbraw/zinc/27/29/94/1039272994.db2.gz SCUUNMLIQQKSHT-UHFFFAOYSA-N 1 2 381.398 3.716 20 30 GHEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc(Br)c(Cl)cc3Cl)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234108941 1039851431 /nfs/dbraw/zinc/85/14/31/1039851431.db2.gz KISIZQSUJSQQGR-PUNAFYOISA-N 1 2 379.081 3.747 20 30 GHEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc(Br)c(Cl)cc3Cl)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234108941 1039851458 /nfs/dbraw/zinc/85/14/58/1039851458.db2.gz KISIZQSUJSQQGR-PUNAFYOISA-N 1 2 379.081 3.747 20 30 GHEDLO COC(=O)[C@@H](Cc1ccccc1)[NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254341131 1040177018 /nfs/dbraw/zinc/17/70/18/1040177018.db2.gz DDXPIAYZHKOIOM-WQMHRJNTSA-N 1 2 380.463 3.904 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC2(CC[C@@H]([N@@H+]3CC[C@@H]4SC(=O)C=C4C3)C2)CC1 ZINC001254748219 1040507183 /nfs/dbraw/zinc/50/71/83/1040507183.db2.gz HKVOMROKUGPSJD-SJORKVTESA-N 1 2 392.565 3.830 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC2(CC[C@@H]([N@H+]3CC[C@@H]4SC(=O)C=C4C3)C2)CC1 ZINC001254748219 1040507204 /nfs/dbraw/zinc/50/72/04/1040507204.db2.gz HKVOMROKUGPSJD-SJORKVTESA-N 1 2 392.565 3.830 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1c[nH]c(-c2ccccc2F)c1 ZINC001235039878 1040534356 /nfs/dbraw/zinc/53/43/56/1040534356.db2.gz RGDYBUQIBOCZMA-NRFANRHFSA-N 1 2 380.467 3.856 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1c[nH]c(-c2ccccc2F)c1 ZINC001235039878 1040534378 /nfs/dbraw/zinc/53/43/78/1040534378.db2.gz RGDYBUQIBOCZMA-NRFANRHFSA-N 1 2 380.467 3.856 20 30 GHEDLO C=CCOC(=O)[C@H](CC(=O)OC(C)(C)C)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC001255511611 1041102285 /nfs/dbraw/zinc/10/22/85/1041102285.db2.gz JGYFOOZVVHFAHR-RUXDESIVSA-N 1 2 379.419 3.527 20 30 GHEDLO COC(=O)[C@H](Cc1ccc(C#N)cc1)[NH2+]C1CCN(c2ccc(Cl)cc2)CC1 ZINC001256307224 1041694708 /nfs/dbraw/zinc/69/47/08/1041694708.db2.gz NFPKQQLZCWGCEI-NRFANRHFSA-N 1 2 397.906 3.554 20 30 GHEDLO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(OC)c(Cl)c1O)CC2 ZINC001236803214 1041905037 /nfs/dbraw/zinc/90/50/37/1041905037.db2.gz HWLSBALWZLSNQY-FQEVSTJZSA-N 1 2 378.900 3.587 20 30 GHEDLO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1ccc(OC)c(Cl)c1O)CC2 ZINC001236803214 1041905044 /nfs/dbraw/zinc/90/50/44/1041905044.db2.gz HWLSBALWZLSNQY-FQEVSTJZSA-N 1 2 378.900 3.587 20 30 GHEDLO N#Cc1ccc(CN2CC[NH+](Cc3ccccc3F)CC2)cc1Br ZINC001236864780 1041933810 /nfs/dbraw/zinc/93/38/10/1041933810.db2.gz UYYSPGRBJUFEJU-UHFFFAOYSA-N 1 2 388.284 3.778 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@@]12CC[N@H+](Cc1cc(C#N)c(F)cc1F)C2 ZINC001237526182 1042251151 /nfs/dbraw/zinc/25/11/51/1042251151.db2.gz ZVWDJXMKVLXOGI-FQEVSTJZSA-N 1 2 377.435 3.812 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@@]12CC[N@@H+](Cc1cc(C#N)c(F)cc1F)C2 ZINC001237526182 1042251158 /nfs/dbraw/zinc/25/11/58/1042251158.db2.gz ZVWDJXMKVLXOGI-FQEVSTJZSA-N 1 2 377.435 3.812 20 30 GHEDLO N#Cc1ccc2nc(C[NH+]3CCC(Oc4ccc(C#N)c(Cl)c4)CC3)cn2c1 ZINC001237606819 1042278575 /nfs/dbraw/zinc/27/85/75/1042278575.db2.gz OUFAVPOVEJHHHN-UHFFFAOYSA-N 1 2 391.862 3.774 20 30 GHEDLO CCn1c2ccccc2nc1N1CC[NH+](Cc2cc(Cl)cc(C#N)c2)CC1 ZINC001237753007 1042354427 /nfs/dbraw/zinc/35/44/27/1042354427.db2.gz DFKUVZYNYAAJLP-UHFFFAOYSA-N 1 2 379.895 3.903 20 30 GHEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1ccnc(Br)c1Cl)CC2 ZINC001238373759 1042574692 /nfs/dbraw/zinc/57/46/92/1042574692.db2.gz NKTFICCKUWCAKJ-UHFFFAOYSA-N 1 2 398.732 3.641 20 30 GHEDLO Cn1cc(C[N@@H+]2CCC23CN(CCc2c(Cl)cccc2Cl)C3)cc1C#N ZINC001278232112 1042594247 /nfs/dbraw/zinc/59/42/47/1042594247.db2.gz PREHJXWFCCJXCD-UHFFFAOYSA-N 1 2 389.330 3.706 20 30 GHEDLO Cn1cc(C[N@H+]2CCC23CN(CCc2c(Cl)cccc2Cl)C3)cc1C#N ZINC001278232112 1042594251 /nfs/dbraw/zinc/59/42/51/1042594251.db2.gz PREHJXWFCCJXCD-UHFFFAOYSA-N 1 2 389.330 3.706 20 30 GHEDLO CCOC(=O)[C@H](Cc1ccccn1)[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257012451 1043799298 /nfs/dbraw/zinc/79/92/98/1043799298.db2.gz GNFKKXCTBYXTRG-AOMIVXANSA-N 1 2 377.488 3.743 20 30 GHEDLO O=C1C=C2C[N@H+](C3CCC(C4CCC5(CC4)OCCO5)CC3)CC[C@@H]2S1 ZINC001257495217 1044020933 /nfs/dbraw/zinc/02/09/33/1044020933.db2.gz HNOHLKRNIAWXKS-PPSBMQLTSA-N 1 2 377.550 3.753 20 30 GHEDLO O=C1C=C2C[N@@H+](C3CCC(C4CCC5(CC4)OCCO5)CC3)CC[C@@H]2S1 ZINC001257495217 1044020948 /nfs/dbraw/zinc/02/09/48/1044020948.db2.gz HNOHLKRNIAWXKS-PPSBMQLTSA-N 1 2 377.550 3.753 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[C@@H]([N@@H+]1CC[C@@H]3SC(=O)C=C3C1)C2 ZINC001257810714 1044192248 /nfs/dbraw/zinc/19/22/48/1044192248.db2.gz SHIXBRWIPSNTQN-WWMYMODYSA-N 1 2 392.565 3.830 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[C@@H]([N@H+]1CC[C@@H]3SC(=O)C=C3C1)C2 ZINC001257810714 1044192254 /nfs/dbraw/zinc/19/22/54/1044192254.db2.gz SHIXBRWIPSNTQN-WWMYMODYSA-N 1 2 392.565 3.830 20 30 GHEDLO C=C(C)Cn1c([C@H](O)CCCCC)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001263348687 1046731740 /nfs/dbraw/zinc/73/17/40/1046731740.db2.gz AIBCAVMPLFWYAA-LJQANCHMSA-N 1 2 398.555 3.944 20 30 GHEDLO C[C@@H]1CN(c2nnc(C3CC[NH+](CCC#N)CC3)n2Cc2cccs2)C[C@H]1C ZINC001263489239 1046888121 /nfs/dbraw/zinc/88/81/21/1046888121.db2.gz KNJPPPULULEQCW-IAGOWNOFSA-N 1 2 398.580 3.573 20 30 GHEDLO C[C@H](CC#N)N(C)c1nnc(C2CCC2)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001303636275 1047460550 /nfs/dbraw/zinc/46/05/50/1047460550.db2.gz NALXKBVTVBHLRS-QGZVFWFLSA-N 1 2 389.507 3.577 20 30 GHEDLO CCN(C(=O)c1csc(C#N)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001265367525 1047597530 /nfs/dbraw/zinc/59/75/30/1047597530.db2.gz UYTNHRVLBGNGGX-UHFFFAOYSA-N 1 2 397.548 3.973 20 30 GHEDLO CC[C@H](C)c1nnc(N(C)C[C@H](C)C#N)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001305378699 1048001663 /nfs/dbraw/zinc/00/16/63/1048001663.db2.gz WNLMKFZANZBHMT-MSOLQXFVSA-N 1 2 395.555 3.821 20 30 GHEDLO C#CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C(=O)OC)[C@H]1CCc2ccccc21 ZINC001307428772 1049265296 /nfs/dbraw/zinc/26/52/96/1049265296.db2.gz GYZDJKLJALLJKL-SFHVURJKSA-N 1 2 396.512 3.713 20 30 GHEDLO C#CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C(=O)OC)[C@H]1CCc2ccccc21 ZINC001307428772 1049265308 /nfs/dbraw/zinc/26/53/08/1049265308.db2.gz GYZDJKLJALLJKL-SFHVURJKSA-N 1 2 396.512 3.713 20 30 GHEDLO C#CC[N@H+]1CCC[C@@H](NCc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)C1 ZINC001334401798 1051940373 /nfs/dbraw/zinc/94/03/73/1051940373.db2.gz JBAPQRQGWPCLMS-LJQANCHMSA-N 1 2 396.560 3.632 20 30 GHEDLO C#CC[N@@H+]1CCC[C@@H](NCc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)C1 ZINC001334401798 1051940378 /nfs/dbraw/zinc/94/03/78/1051940378.db2.gz JBAPQRQGWPCLMS-LJQANCHMSA-N 1 2 396.560 3.632 20 30 GHEDLO Cc1cccc(CCCn2c(CC3CC3)nnc2N2CCC(CC#N)CC2)[nH+]1 ZINC001492526668 1052129959 /nfs/dbraw/zinc/12/99/59/1052129959.db2.gz HWROMBHHNPGWGL-UHFFFAOYSA-N 1 2 378.524 3.697 20 30 GHEDLO COc1c(C)c[nH+]c(CNC(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)c1C ZINC001336321671 1052258446 /nfs/dbraw/zinc/25/84/46/1052258446.db2.gz QESWTUBQWXBGPQ-QGZVFWFLSA-N 1 2 392.381 3.682 20 30 GHEDLO C#C[C@H](NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)c1ccc(F)cc1 ZINC001312935251 1052915264 /nfs/dbraw/zinc/91/52/64/1052915264.db2.gz YWZFPEDYKCXPQO-FDFHNCONSA-N 1 2 388.446 3.925 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCO[C@@H](CCC)C1 ZINC001343494904 1053810514 /nfs/dbraw/zinc/81/05/14/1053810514.db2.gz KDHFYCJHFNEFOT-RBUKOAKNSA-N 1 2 386.544 3.692 20 30 GHEDLO C=C(C)Cn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N(C)C[C@H]1CCOC1 ZINC001343553388 1053870821 /nfs/dbraw/zinc/87/08/21/1053870821.db2.gz HDDXEVDHAYDLPS-UYAOXDASSA-N 1 2 383.540 3.520 20 30 GHEDLO C=C(C)Cn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N(C)C[C@H]1CCOC1 ZINC001343553388 1053870831 /nfs/dbraw/zinc/87/08/31/1053870831.db2.gz HDDXEVDHAYDLPS-UYAOXDASSA-N 1 2 383.540 3.520 20 30 GHEDLO CC(C)Cn1c([C@H]2C[C@H]2C#N)nnc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC001343559276 1053879423 /nfs/dbraw/zinc/87/94/23/1053879423.db2.gz SBECLDKWOJOLIR-ROUUACIJSA-N 1 2 398.942 3.537 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)n2)c1C#N ZINC001319782028 1055463457 /nfs/dbraw/zinc/46/34/57/1055463457.db2.gz OHOPIAVBNROQJK-HXUWFJFHSA-N 1 2 386.503 3.832 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@H]2CNc2cccc(C)n2)c1C#N ZINC001319782028 1055463463 /nfs/dbraw/zinc/46/34/63/1055463463.db2.gz OHOPIAVBNROQJK-HXUWFJFHSA-N 1 2 386.503 3.832 20 30 GHEDLO C[C@@H](c1ccccc1)[C@@H]1CCCN1c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001355479272 1057177871 /nfs/dbraw/zinc/17/78/71/1057177871.db2.gz CHRTWSOJUCBCIV-RXVVDRJESA-N 1 2 392.551 3.681 20 30 GHEDLO Cn1c([C@H]2CCCC[N@@H+]2Cc2ccccc2)nnc1N1CCC[C@@H](CC#N)C1 ZINC001355552892 1057210389 /nfs/dbraw/zinc/21/03/89/1057210389.db2.gz ISYYWSGJHCBBBV-VQTJNVASSA-N 1 2 378.524 3.672 20 30 GHEDLO Cn1c([C@H]2CCCC[N@H+]2Cc2ccccc2)nnc1N1CCC[C@@H](CC#N)C1 ZINC001355552892 1057210394 /nfs/dbraw/zinc/21/03/94/1057210394.db2.gz ISYYWSGJHCBBBV-VQTJNVASSA-N 1 2 378.524 3.672 20 30 GHEDLO C=C(C)CCC(=O)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC001355754319 1057268469 /nfs/dbraw/zinc/26/84/69/1057268469.db2.gz FABMBSJDTNKFIZ-UHFFFAOYSA-N 1 2 382.483 3.520 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@@H](COc2ccccc2)C1 ZINC001355930363 1057321171 /nfs/dbraw/zinc/32/11/71/1057321171.db2.gz VCGMWISUDYSMJA-QUCCMNQESA-N 1 2 381.524 3.526 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@H](COc2ccccc2)C1 ZINC001355930363 1057321178 /nfs/dbraw/zinc/32/11/78/1057321178.db2.gz VCGMWISUDYSMJA-QUCCMNQESA-N 1 2 381.524 3.526 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 ZINC001356238638 1057443110 /nfs/dbraw/zinc/44/31/10/1057443110.db2.gz JMYYWGIGTKOIOL-XUVXKRRUSA-N 1 2 398.555 3.549 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2Cc2ccccc2)nnc1N1C[C@H](C)C[C@H]1C ZINC001339210712 1059014565 /nfs/dbraw/zinc/01/45/65/1059014565.db2.gz KQRWMSGCWIHYAL-QZTJIDSGSA-N 1 2 376.508 3.534 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC001339528101 1059279170 /nfs/dbraw/zinc/27/91/70/1059279170.db2.gz CEYOQHKJFCBIJJ-YSIASYRMSA-N 1 2 381.524 3.587 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC001339528101 1059279190 /nfs/dbraw/zinc/27/91/90/1059279190.db2.gz CEYOQHKJFCBIJJ-YSIASYRMSA-N 1 2 381.524 3.587 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N(C)Cc1cnc(C)s1 ZINC001339796496 1059478104 /nfs/dbraw/zinc/47/81/04/1059478104.db2.gz PPQVPOYPERRPSF-QGZVFWFLSA-N 1 2 385.541 3.697 20 30 GHEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1Cc2ccccc2[C@H]1CC ZINC001340195772 1059757225 /nfs/dbraw/zinc/75/72/25/1059757225.db2.gz OTGLXYZGSFZRBF-TYPHKJRUSA-N 1 2 393.535 3.861 20 30 GHEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1Cc2ccccc2[C@H]1CC ZINC001340195772 1059757244 /nfs/dbraw/zinc/75/72/44/1059757244.db2.gz OTGLXYZGSFZRBF-TYPHKJRUSA-N 1 2 393.535 3.861 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC001340626808 1060000475 /nfs/dbraw/zinc/00/04/75/1060000475.db2.gz CZRFLSNLJSREMB-DFQSSKMNSA-N 1 2 382.556 3.572 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC001340733110 1060082144 /nfs/dbraw/zinc/08/21/44/1060082144.db2.gz NGXUMYFZZGJZRD-XUVXKRRUSA-N 1 2 388.519 3.561 20 30 GHEDLO CCn1c([C@H]2CCCC[N@@H+]2Cc2ccccc2)nnc1N1CCC(C#N)CC1 ZINC001341127009 1060429905 /nfs/dbraw/zinc/42/99/05/1060429905.db2.gz IRBFNNAUHIVEGT-HXUWFJFHSA-N 1 2 378.524 3.765 20 30 GHEDLO CCn1c([C@H]2CCCC[N@H+]2Cc2ccccc2)nnc1N1CCC(C#N)CC1 ZINC001341127009 1060429912 /nfs/dbraw/zinc/42/99/12/1060429912.db2.gz IRBFNNAUHIVEGT-HXUWFJFHSA-N 1 2 378.524 3.765 20 30 GHEDLO C=C(C)Cn1c(Cc2[nH+]ccn2Cc2ccccc2)nnc1N1CC[C@@H](C)C1 ZINC001341868457 1060930067 /nfs/dbraw/zinc/93/00/67/1060930067.db2.gz OIGCKMFSFMONON-GOSISDBHSA-N 1 2 376.508 3.536 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@@H](COCC)C1 ZINC001342004926 1060991876 /nfs/dbraw/zinc/99/18/76/1060991876.db2.gz RURABFXFUKGUKG-PZJWPPBQSA-N 1 2 397.567 3.910 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@@H](COCC)C1 ZINC001342004926 1060991880 /nfs/dbraw/zinc/99/18/80/1060991880.db2.gz RURABFXFUKGUKG-PZJWPPBQSA-N 1 2 397.567 3.910 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCCC[C@H](C2CCOCC2)C1 ZINC001342006155 1060992802 /nfs/dbraw/zinc/99/28/02/1060992802.db2.gz WTIJSTVDCDRHGS-VQTJNVASSA-N 1 2 387.572 3.654 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCCC[C@H](C2CCOCC2)C1 ZINC001342006155 1060992808 /nfs/dbraw/zinc/99/28/08/1060992808.db2.gz WTIJSTVDCDRHGS-VQTJNVASSA-N 1 2 387.572 3.654 20 30 GHEDLO C[C@H]1CN(c2nnc(C3CC[NH+](CCC#N)CC3)n2Cc2ccccc2)C[C@@H]1C ZINC001342161843 1061096349 /nfs/dbraw/zinc/09/63/49/1061096349.db2.gz CKYXXSWZPLDJEW-OALUTQOASA-N 1 2 392.551 3.512 20 30 GHEDLO C[C@@H]1[C@@H](C)CCN1c1nnc(C2CC[NH+](CCC#N)CC2)n1Cc1cccs1 ZINC001345970906 1061252717 /nfs/dbraw/zinc/25/27/17/1061252717.db2.gz WRWXBOXXSBYISZ-DLBZAZTESA-N 1 2 398.580 3.716 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCO[C@@H](c2ccccc2C)C1 ZINC001346188332 1061437240 /nfs/dbraw/zinc/43/72/40/1061437240.db2.gz XUGANQSFZCCSMO-VQTJNVASSA-N 1 2 381.524 3.507 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCO[C@@H](c2ccccc2C)C1 ZINC001346188332 1061437249 /nfs/dbraw/zinc/43/72/49/1061437249.db2.gz XUGANQSFZCCSMO-VQTJNVASSA-N 1 2 381.524 3.507 20 30 GHEDLO C=C1CCN(c2nnc([C@@H](CC(C)C)n3cc[nH+]c3)n2C[C@@H]2CCCCO2)CC1 ZINC001349462412 1063735481 /nfs/dbraw/zinc/73/54/81/1063735481.db2.gz IHLSCPKHENQYRR-VQTJNVASSA-N 1 2 398.555 3.836 20 30 GHEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC001459409696 1064089436 /nfs/dbraw/zinc/08/94/36/1064089436.db2.gz YEXGRQWAGDKTRK-SFHVURJKSA-N 1 2 379.479 3.888 20 30 GHEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC001459409696 1064089448 /nfs/dbraw/zinc/08/94/48/1064089448.db2.gz YEXGRQWAGDKTRK-SFHVURJKSA-N 1 2 379.479 3.888 20 30 GHEDLO COC(=O)[C@@H](c1cccc(Br)c1)[N@H+](C)CCc1ccc(C#N)cc1 ZINC001459780146 1064214290 /nfs/dbraw/zinc/21/42/90/1064214290.db2.gz NDIWDJTUPKAZEJ-GOSISDBHSA-N 1 2 387.277 3.709 20 30 GHEDLO COC(=O)[C@@H](c1cccc(Br)c1)[N@@H+](C)CCc1ccc(C#N)cc1 ZINC001459780146 1064214295 /nfs/dbraw/zinc/21/42/95/1064214295.db2.gz NDIWDJTUPKAZEJ-GOSISDBHSA-N 1 2 387.277 3.709 20 30 GHEDLO C#C[C@H]1CCCN(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC001467629532 1067391225 /nfs/dbraw/zinc/39/12/25/1067391225.db2.gz IGKYPWJLZQPGOI-YJBOKZPZSA-N 1 2 377.891 3.671 20 30 GHEDLO C#C[C@@H](C)N(C)c1nnc(CC(C)(C)C)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001358892310 1067599196 /nfs/dbraw/zinc/59/91/96/1067599196.db2.gz WWJCZYTUMDALPW-GOSISDBHSA-N 1 2 390.535 3.618 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2Cc2oc3ccccc3c2C)CC1 ZINC001359029289 1067659368 /nfs/dbraw/zinc/65/93/68/1067659368.db2.gz SYMGBDOBPAHDPE-KRWDZBQOSA-N 1 2 391.519 3.650 20 30 GHEDLO C[N@H+](CCc1cccc(C#N)c1)CCS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC001460662231 1069067224 /nfs/dbraw/zinc/06/72/24/1069067224.db2.gz HHVSOOVBACHTIC-UHFFFAOYSA-N 1 2 384.545 3.804 20 30 GHEDLO C[N@@H+](CCc1cccc(C#N)c1)CCS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC001460662231 1069067225 /nfs/dbraw/zinc/06/72/25/1069067225.db2.gz HHVSOOVBACHTIC-UHFFFAOYSA-N 1 2 384.545 3.804 20 30 GHEDLO C[C@@](O)(C[NH+]1CCC(c2ncc(C(F)(F)F)[nH]2)CC1)C(F)(F)C(F)(F)F ZINC001460845297 1069214519 /nfs/dbraw/zinc/21/45/19/1069214519.db2.gz AUGQYVMPJKRKOH-LLVKDONJSA-N 1 2 395.294 3.557 20 30 GHEDLO C=CCOc1cc(OC)ccc1C(=O)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001470636678 1072661210 /nfs/dbraw/zinc/66/12/10/1072661210.db2.gz WDOWZNIPUHOHHI-LJQANCHMSA-N 1 2 386.879 3.700 20 30 GHEDLO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)C1 ZINC001471336372 1073025305 /nfs/dbraw/zinc/02/53/05/1073025305.db2.gz KVCWVXUILSOYCJ-QFBILLFUSA-N 1 2 399.926 3.551 20 30 GHEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)C1 ZINC001471336372 1073025313 /nfs/dbraw/zinc/02/53/13/1073025313.db2.gz KVCWVXUILSOYCJ-QFBILLFUSA-N 1 2 399.926 3.551 20 30 GHEDLO C[N@@H+]1CCO[C@H]([C@H](Nc2cc(C#N)sc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC001472746579 1073647566 /nfs/dbraw/zinc/64/75/66/1073647566.db2.gz AVZBVALDCKBNHJ-JKSUJKDBSA-N 1 2 392.868 3.665 20 30 GHEDLO C[N@H+]1CCO[C@H]([C@H](Nc2cc(C#N)sc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC001472746579 1073647569 /nfs/dbraw/zinc/64/75/69/1073647569.db2.gz AVZBVALDCKBNHJ-JKSUJKDBSA-N 1 2 392.868 3.665 20 30 GHEDLO Cc1cccc(C[NH+]2CCN(C(=O)CSc3ccc(Cl)cc3C#N)CC2)c1 ZINC001472997789 1073745715 /nfs/dbraw/zinc/74/57/15/1073745715.db2.gz OGJLOKYYRGZYAO-UHFFFAOYSA-N 1 2 399.947 3.957 20 30 GHEDLO CC[C@@H]1C[N@H+](Cc2cncc(C#N)c2)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC001473176470 1073832427 /nfs/dbraw/zinc/83/24/27/1073832427.db2.gz MAYDZQKMCBUIOG-FGZHOGPDSA-N 1 2 392.503 3.965 20 30 GHEDLO CC[C@@H]1C[N@@H+](Cc2cncc(C#N)c2)[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC001473176470 1073832441 /nfs/dbraw/zinc/83/24/41/1073832441.db2.gz MAYDZQKMCBUIOG-FGZHOGPDSA-N 1 2 392.503 3.965 20 30 GHEDLO C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 ZINC000613263146 837476593 /nfs/dbraw/zinc/47/65/93/837476593.db2.gz GSLUDNJLUCZIFO-AWEZNQCLSA-N 1 2 393.472 3.959 20 30 GHEDLO CC(C)(C)c1nc(=NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)s[nH]1 ZINC000329313199 834823704 /nfs/dbraw/zinc/82/37/04/834823704.db2.gz DBUUXOKHJBPUFW-ZDUSSCGKSA-N 1 2 393.582 3.557 20 30 GHEDLO CC(C)(C)c1nc(=NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)s[nH]1 ZINC000329313199 834823714 /nfs/dbraw/zinc/82/37/14/834823714.db2.gz DBUUXOKHJBPUFW-ZDUSSCGKSA-N 1 2 393.582 3.557 20 30 GHEDLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)ccc1Br ZINC000430245647 835370661 /nfs/dbraw/zinc/37/06/61/835370661.db2.gz PMBNQBSHIHUFRU-HKUYNNGSSA-N 1 2 392.341 3.949 20 30 GHEDLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)ccc1Br ZINC000430245647 835370669 /nfs/dbraw/zinc/37/06/69/835370669.db2.gz PMBNQBSHIHUFRU-HKUYNNGSSA-N 1 2 392.341 3.949 20 30 GHEDLO COc1ccc(C(N)=[NH+]OCc2csc(CCc3ccccc3)n2)cc1OC ZINC000176992956 835445785 /nfs/dbraw/zinc/44/57/85/835445785.db2.gz BVXNMKKBCZOFHD-UHFFFAOYSA-N 1 2 397.500 3.783 20 30 GHEDLO N#CCc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000536194376 835446698 /nfs/dbraw/zinc/44/66/98/835446698.db2.gz VQUALWIVQZTUCU-IBGZPJMESA-N 1 2 385.870 3.940 20 30 GHEDLO N#CCc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000536194376 835446701 /nfs/dbraw/zinc/44/67/01/835446701.db2.gz VQUALWIVQZTUCU-IBGZPJMESA-N 1 2 385.870 3.940 20 30 GHEDLO C[C@H](C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[NH+]1CCSCC1 ZINC000151512567 835477980 /nfs/dbraw/zinc/47/79/80/835477980.db2.gz JFRYVQPRGJRISK-QGZVFWFLSA-N 1 2 395.528 3.707 20 30 GHEDLO C=CCc1cc(C[N@H+](C)CC(=O)Nc2ccccc2SC)cc(OC)c1O ZINC000179625943 835699353 /nfs/dbraw/zinc/69/93/53/835699353.db2.gz YBXCJAAJYWNLKR-UHFFFAOYSA-N 1 2 386.517 3.922 20 30 GHEDLO C=CCc1cc(C[N@@H+](C)CC(=O)Nc2ccccc2SC)cc(OC)c1O ZINC000179625943 835699356 /nfs/dbraw/zinc/69/93/56/835699356.db2.gz YBXCJAAJYWNLKR-UHFFFAOYSA-N 1 2 386.517 3.922 20 30 GHEDLO COCC[N@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)Cc1cccs1 ZINC000053099733 836211563 /nfs/dbraw/zinc/21/15/63/836211563.db2.gz UTOGSKAZKXZTPQ-UHFFFAOYSA-N 1 2 385.533 3.760 20 30 GHEDLO COCC[N@@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)Cc1cccs1 ZINC000053099733 836211570 /nfs/dbraw/zinc/21/15/70/836211570.db2.gz UTOGSKAZKXZTPQ-UHFFFAOYSA-N 1 2 385.533 3.760 20 30 GHEDLO Cn1cc(C[N@H+](C)CC(=O)Nc2cccc(Cl)c2)c(-c2ccc(C#N)cc2)n1 ZINC000179931890 836386044 /nfs/dbraw/zinc/38/60/44/836386044.db2.gz MIGPNOOAEUPCPW-UHFFFAOYSA-N 1 2 393.878 3.683 20 30 GHEDLO Cn1cc(C[N@@H+](C)CC(=O)Nc2cccc(Cl)c2)c(-c2ccc(C#N)cc2)n1 ZINC000179931890 836386048 /nfs/dbraw/zinc/38/60/48/836386048.db2.gz MIGPNOOAEUPCPW-UHFFFAOYSA-N 1 2 393.878 3.683 20 30 GHEDLO N#Cc1cccnc1NCC1([NH+](Cc2ccccc2)Cc2ccccc2)COC1 ZINC000705847587 836758364 /nfs/dbraw/zinc/75/83/64/836758364.db2.gz FKXNKUKILFJMSY-UHFFFAOYSA-N 1 2 384.483 3.837 20 30 GHEDLO N#Cc1ccc(NCC2([NH+](Cc3ccccc3)Cc3ccccc3)COC2)nc1 ZINC000705849154 836762322 /nfs/dbraw/zinc/76/23/22/836762322.db2.gz VCICWLFURDUXIJ-UHFFFAOYSA-N 1 2 384.483 3.837 20 30 GHEDLO C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000535905577 836856844 /nfs/dbraw/zinc/85/68/44/836856844.db2.gz MDTGBKYZVYUXAR-QGZVFWFLSA-N 1 2 381.907 3.735 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccccc3N3CCCC3)CC2)cc1 ZINC000043485838 836919619 /nfs/dbraw/zinc/91/96/19/836919619.db2.gz UZKMHOVWCQCKID-UHFFFAOYSA-N 1 2 389.503 3.508 20 30 GHEDLO N#Cc1cccc(OC2CC[NH+](Cc3nc(-c4ccccc4F)no3)CC2)c1 ZINC000189004363 838055168 /nfs/dbraw/zinc/05/51/68/838055168.db2.gz WLGWPTRAIIXKDU-UHFFFAOYSA-N 1 2 378.407 3.791 20 30 GHEDLO N#CCSc1cccc(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)c1 ZINC000255057485 838076513 /nfs/dbraw/zinc/07/65/13/838076513.db2.gz GESSEWJAXSWYOO-YVMONPNESA-N 1 2 377.513 3.773 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000178832761 838475035 /nfs/dbraw/zinc/47/50/35/838475035.db2.gz AMVYIPPAUHYYCH-OAHLLOKOSA-N 1 2 376.522 3.567 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000178832761 838475041 /nfs/dbraw/zinc/47/50/41/838475041.db2.gz AMVYIPPAUHYYCH-OAHLLOKOSA-N 1 2 376.522 3.567 20 30 GHEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)N[C@@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000610406510 839133902 /nfs/dbraw/zinc/13/39/02/839133902.db2.gz CGIUWCCQTAYGPF-ROUUACIJSA-N 1 2 392.503 3.716 20 30 GHEDLO Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000022289972 839685302 /nfs/dbraw/zinc/68/53/02/839685302.db2.gz ONZCNGZARYYBHL-UHFFFAOYSA-N 1 2 395.488 3.945 20 30 GHEDLO Cc1cccn2cc(CCNC(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)[nH+]c12 ZINC000610456532 840094980 /nfs/dbraw/zinc/09/49/80/840094980.db2.gz WJRUTHXPMOLMAU-UHFFFAOYSA-N 1 2 387.365 3.897 20 30 GHEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000416922782 840273883 /nfs/dbraw/zinc/27/38/83/840273883.db2.gz OZGIAEDBPDBULM-IBGZPJMESA-N 1 2 380.492 3.536 20 30 GHEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cc(C)c(N(C)C)cc1C#N ZINC000417124942 840482605 /nfs/dbraw/zinc/48/26/05/840482605.db2.gz AMDGWYVPPJAYJT-UHFFFAOYSA-N 1 2 382.512 3.636 20 30 GHEDLO COc1ccccc1[C@H]1CCCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000610485089 840822181 /nfs/dbraw/zinc/82/21/81/840822181.db2.gz PTGHTOIKJCMTDG-HXUWFJFHSA-N 1 2 384.501 3.568 20 30 GHEDLO COc1ccccc1[C@H]1CCCC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000610485089 840822193 /nfs/dbraw/zinc/82/21/93/840822193.db2.gz PTGHTOIKJCMTDG-HXUWFJFHSA-N 1 2 384.501 3.568 20 30 GHEDLO C=CCc1cc(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc(OC)c1OC ZINC000050860087 840949371 /nfs/dbraw/zinc/94/93/71/840949371.db2.gz REVKNYGOGYXIPZ-UHFFFAOYSA-N 1 2 377.444 3.548 20 30 GHEDLO N#Cc1cnc2ccc(Cl)cc2c1N1CCC[N@H+](Cc2cscn2)CC1 ZINC000301421847 841180620 /nfs/dbraw/zinc/18/06/20/841180620.db2.gz SHRYDEDIVCVKMR-UHFFFAOYSA-N 1 2 383.908 3.929 20 30 GHEDLO N#Cc1cnc2ccc(Cl)cc2c1N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000301421847 841180627 /nfs/dbraw/zinc/18/06/27/841180627.db2.gz SHRYDEDIVCVKMR-UHFFFAOYSA-N 1 2 383.908 3.929 20 30 GHEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)[C@@H]1C ZINC000329262068 861217885 /nfs/dbraw/zinc/21/78/85/861217885.db2.gz DZOKUUNFYFMGLL-GGPKGHCWSA-N 1 2 377.573 3.882 20 30 GHEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)[C@@H]1C ZINC000329262068 861217897 /nfs/dbraw/zinc/21/78/97/861217897.db2.gz DZOKUUNFYFMGLL-GGPKGHCWSA-N 1 2 377.573 3.882 20 30 GHEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2cccc(C#N)c2)cc1 ZINC000045294179 841641932 /nfs/dbraw/zinc/64/19/32/841641932.db2.gz KSVGYRQGAOZQLA-UHFFFAOYSA-N 1 2 388.471 3.886 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000045532504 841708440 /nfs/dbraw/zinc/70/84/40/841708440.db2.gz JBGQLLJBWAMEMK-UHFFFAOYSA-N 1 2 380.517 3.933 20 30 GHEDLO N#Cc1ccc(Oc2ccc(NC(=O)NCCCNc3cccc[nH+]3)cn2)cc1 ZINC000603823168 861232821 /nfs/dbraw/zinc/23/28/21/861232821.db2.gz DVWFWRBCMPFGQD-UHFFFAOYSA-N 1 2 388.431 3.764 20 30 GHEDLO Cc1ccc(C2CCN(C([O-])=[NH+][C@H]3CCc4[nH+]c(C(C)(C)C)cn4C3)CC2)cn1 ZINC000329281758 861243955 /nfs/dbraw/zinc/24/39/55/861243955.db2.gz AEZDNVSUZNLKNU-IBGZPJMESA-N 1 2 395.551 3.992 20 30 GHEDLO Cc1ccc(C(C)(C)CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000489802417 861247921 /nfs/dbraw/zinc/24/79/21/861247921.db2.gz AXMQDSOYIYALKZ-UHFFFAOYSA-N 1 2 390.531 3.672 20 30 GHEDLO COC(=O)c1sc2c(c1NC(=O)C(C)(C)C#N)CC[N@@H+](Cc1ccccc1)C2 ZINC001143396101 842141854 /nfs/dbraw/zinc/14/18/54/842141854.db2.gz YCVBBYVQDWPGHU-UHFFFAOYSA-N 1 2 397.500 3.581 20 30 GHEDLO COC(=O)c1sc2c(c1NC(=O)C(C)(C)C#N)CC[N@H+](Cc1ccccc1)C2 ZINC001143396101 842141862 /nfs/dbraw/zinc/14/18/62/842141862.db2.gz YCVBBYVQDWPGHU-UHFFFAOYSA-N 1 2 397.500 3.581 20 30 GHEDLO N#Cc1cc(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)ccc1F ZINC000585735140 842225495 /nfs/dbraw/zinc/22/54/95/842225495.db2.gz IWTASOHNSMTQHK-UHFFFAOYSA-N 1 2 391.368 3.674 20 30 GHEDLO C[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc(-n2cccn2)c(F)c1 ZINC000555591001 861324410 /nfs/dbraw/zinc/32/44/10/861324410.db2.gz QUIHNIGFFJTSKD-CQSZACIVSA-N 1 2 388.406 3.784 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N[C@@H](C)c1ccc(CC)cc1 ZINC000512144680 842635668 /nfs/dbraw/zinc/63/56/68/842635668.db2.gz BXMOCJKZWWONFP-ZWKOTPCHSA-N 1 2 384.520 3.978 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N[C@@H](C)c1ccc(CC)cc1 ZINC000512144680 842635674 /nfs/dbraw/zinc/63/56/74/842635674.db2.gz BXMOCJKZWWONFP-ZWKOTPCHSA-N 1 2 384.520 3.978 20 30 GHEDLO Cn1c2ccccc2nc1[C@@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000126035735 842935407 /nfs/dbraw/zinc/93/54/07/842935407.db2.gz DUMKZEVGXSSJTN-QHCPKHFHSA-N 1 2 395.466 3.763 20 30 GHEDLO O=C(N[C@@H]1CCOc2ccc(Br)cc21)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328936421 843024991 /nfs/dbraw/zinc/02/49/91/843024991.db2.gz QTMFCNYANXSYNW-IAQYHMDHSA-N 1 2 376.254 3.688 20 30 GHEDLO COc1ccccc1C[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000584783135 843165214 /nfs/dbraw/zinc/16/52/14/843165214.db2.gz OWWXQSKNDKAIST-LJQANCHMSA-N 1 2 381.432 3.656 20 30 GHEDLO COc1ccccc1C[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000584783135 843165218 /nfs/dbraw/zinc/16/52/18/843165218.db2.gz OWWXQSKNDKAIST-LJQANCHMSA-N 1 2 381.432 3.656 20 30 GHEDLO COc1cc(C[N@@H+]2CCO[C@H](CCF)C2)ccc1OCc1cccc(C#N)c1 ZINC000599644316 861440427 /nfs/dbraw/zinc/44/04/27/861440427.db2.gz YFPPXJDLTFGVHT-HXUWFJFHSA-N 1 2 384.451 3.706 20 30 GHEDLO COc1cc(C[N@H+]2CCO[C@H](CCF)C2)ccc1OCc1cccc(C#N)c1 ZINC000599644316 861440436 /nfs/dbraw/zinc/44/04/36/861440436.db2.gz YFPPXJDLTFGVHT-HXUWFJFHSA-N 1 2 384.451 3.706 20 30 GHEDLO C[C@H](c1cccc(NC(=O)N2CCC[C@H]2C2CCOCC2)c1)[NH+]1CCOCC1 ZINC000329452192 861457004 /nfs/dbraw/zinc/45/70/04/861457004.db2.gz LTYBLRUVIACHKX-UTKZUKDTSA-N 1 2 387.524 3.516 20 30 GHEDLO O=C(N[C@H]1CCCN(c2cc(N3CCCC3)[nH+]cn2)C1)c1cc2ccccc2o1 ZINC000329457987 861460226 /nfs/dbraw/zinc/46/02/26/861460226.db2.gz QXHDVHBQGFKTKR-KRWDZBQOSA-N 1 2 391.475 3.797 20 30 GHEDLO O=C(N[C@H]1CCCN(c2cc(N3CCCC3)nc[nH+]2)C1)c1cc2ccccc2o1 ZINC000329457987 861460238 /nfs/dbraw/zinc/46/02/38/861460238.db2.gz QXHDVHBQGFKTKR-KRWDZBQOSA-N 1 2 391.475 3.797 20 30 GHEDLO C=CCNC(=O)C[NH2+][C@H](c1ccccc1)c1cc(Br)ccc1F ZINC000181162146 844820232 /nfs/dbraw/zinc/82/02/32/844820232.db2.gz FJJZAPOXVBTEEB-GOSISDBHSA-N 1 2 377.257 3.569 20 30 GHEDLO Cn1c(C[N@@H+]2CCc3c(CC#N)cccc3C2)nc2ccc(Br)cc21 ZINC000599679047 861516408 /nfs/dbraw/zinc/51/64/08/861516408.db2.gz VERHYKGDWCZONP-UHFFFAOYSA-N 1 2 395.304 3.960 20 30 GHEDLO Cn1c(C[N@H+]2CCc3c(CC#N)cccc3C2)nc2ccc(Br)cc21 ZINC000599679047 861516414 /nfs/dbraw/zinc/51/64/14/861516414.db2.gz VERHYKGDWCZONP-UHFFFAOYSA-N 1 2 395.304 3.960 20 30 GHEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1CCc2sc(Br)cc2C1 ZINC000610990249 845056374 /nfs/dbraw/zinc/05/63/74/845056374.db2.gz WGGRXBSVRDZKIE-UHFFFAOYSA-N 1 2 390.306 3.769 20 30 GHEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCc2sc(Br)cc2C1 ZINC000610990249 845056382 /nfs/dbraw/zinc/05/63/82/845056382.db2.gz WGGRXBSVRDZKIE-UHFFFAOYSA-N 1 2 390.306 3.769 20 30 GHEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000411195525 845068724 /nfs/dbraw/zinc/06/87/24/845068724.db2.gz SSZDBFWETSTPCB-JXFKEZNVSA-N 1 2 395.459 3.611 20 30 GHEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000411195525 845068751 /nfs/dbraw/zinc/06/87/51/845068751.db2.gz SSZDBFWETSTPCB-JXFKEZNVSA-N 1 2 395.459 3.611 20 30 GHEDLO COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C[N@@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001143421889 845289717 /nfs/dbraw/zinc/28/97/17/845289717.db2.gz MWBDCZRADVQDOU-NEPJUHHUSA-N 1 2 375.284 3.638 20 30 GHEDLO COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C[N@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001143421889 845289760 /nfs/dbraw/zinc/28/97/60/845289760.db2.gz MWBDCZRADVQDOU-NEPJUHHUSA-N 1 2 375.284 3.638 20 30 GHEDLO C#Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)nc1 ZINC000731346756 861581795 /nfs/dbraw/zinc/58/17/95/861581795.db2.gz UCKMCTWTYPIVFN-UHFFFAOYSA-N 1 2 388.298 3.764 20 30 GHEDLO Cc1cccc(NC(=O)NC(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1C ZINC000502531986 846164874 /nfs/dbraw/zinc/16/48/74/846164874.db2.gz RVOBKJLNUADWPR-UHFFFAOYSA-N 1 2 388.471 3.613 20 30 GHEDLO Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1C ZINC000502531986 846164881 /nfs/dbraw/zinc/16/48/81/846164881.db2.gz RVOBKJLNUADWPR-UHFFFAOYSA-N 1 2 388.471 3.613 20 30 GHEDLO CC(C)(C)c1cccc(OCC[N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000513665406 846232084 /nfs/dbraw/zinc/23/20/84/846232084.db2.gz DNQSICWXESPKKN-KOSHJBKYSA-N 1 2 389.499 3.708 20 30 GHEDLO CC(C)(C)c1cccc(OCC[N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000513665406 846232096 /nfs/dbraw/zinc/23/20/96/846232096.db2.gz DNQSICWXESPKKN-KOSHJBKYSA-N 1 2 389.499 3.708 20 30 GHEDLO N#Cc1cc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)ccc1OC(F)(F)F ZINC000367017743 846375197 /nfs/dbraw/zinc/37/51/97/846375197.db2.gz SBMXBTLGXUTZJQ-UHFFFAOYSA-N 1 2 379.342 3.591 20 30 GHEDLO N#Cc1cc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)ccc1OC(F)(F)F ZINC000367017743 846375206 /nfs/dbraw/zinc/37/52/06/846375206.db2.gz SBMXBTLGXUTZJQ-UHFFFAOYSA-N 1 2 379.342 3.591 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC[C@H](OC(F)F)C2)c1 ZINC000611577415 846394183 /nfs/dbraw/zinc/39/41/83/846394183.db2.gz JDVXMKXIVWPKEW-AEFFLSMTSA-N 1 2 379.451 3.642 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC[C@H](OC(F)F)C2)c1 ZINC000611577415 846394191 /nfs/dbraw/zinc/39/41/91/846394191.db2.gz JDVXMKXIVWPKEW-AEFFLSMTSA-N 1 2 379.451 3.642 20 30 GHEDLO Cc1cc(F)cc2c1C[N@H+]([C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)CC2 ZINC000502895733 846587868 /nfs/dbraw/zinc/58/78/68/846587868.db2.gz QJDGDGDMAKDTSG-INIZCTEOSA-N 1 2 383.442 3.967 20 30 GHEDLO Cc1cc(F)cc2c1C[N@@H+]([C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)CC2 ZINC000502895733 846587871 /nfs/dbraw/zinc/58/78/71/846587871.db2.gz QJDGDGDMAKDTSG-INIZCTEOSA-N 1 2 383.442 3.967 20 30 GHEDLO CC[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)CCC#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000501824550 847211903 /nfs/dbraw/zinc/21/19/03/847211903.db2.gz MCPLFABYILCBRJ-AEFFLSMTSA-N 1 2 396.457 3.868 20 30 GHEDLO CC[N@H+]1CC[C@@H](NC(=O)NCC(C)(C)CCC#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000501824550 847211910 /nfs/dbraw/zinc/21/19/10/847211910.db2.gz MCPLFABYILCBRJ-AEFFLSMTSA-N 1 2 396.457 3.868 20 30 GHEDLO N#CCCCNC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000273331109 847307764 /nfs/dbraw/zinc/30/77/64/847307764.db2.gz YNWJFLJXWIRXKJ-UHFFFAOYSA-N 1 2 377.851 3.581 20 30 GHEDLO Cc1sc(NC(=O)C[N@H+](C)CCOc2cccc(Cl)c2)c(C#N)c1C ZINC000478992484 847383573 /nfs/dbraw/zinc/38/35/73/847383573.db2.gz UILWSWVTXIJAQT-UHFFFAOYSA-N 1 2 377.897 3.839 20 30 GHEDLO Cc1sc(NC(=O)C[N@@H+](C)CCOc2cccc(Cl)c2)c(C#N)c1C ZINC000478992484 847383579 /nfs/dbraw/zinc/38/35/79/847383579.db2.gz UILWSWVTXIJAQT-UHFFFAOYSA-N 1 2 377.897 3.839 20 30 GHEDLO N#Cc1ccccc1/C=C/C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000728499703 847954151 /nfs/dbraw/zinc/95/41/51/847954151.db2.gz ZDZHWQHFKADMAU-ZHACJKMWSA-N 1 2 396.454 3.847 20 30 GHEDLO N#Cc1c(C#N)c2c(nc1NCc1ccccc1-n1cc[nH+]c1)CCCCCC2 ZINC000480110527 848084321 /nfs/dbraw/zinc/08/43/21/848084321.db2.gz GQRSPNIZIYQCAY-UHFFFAOYSA-N 1 2 382.471 3.704 20 30 GHEDLO CC(C)n1ncc2cc(C[NH+]3CCN(c4ccc(C#N)cc4Cl)CC3)cnc21 ZINC000444770705 862020884 /nfs/dbraw/zinc/02/08/84/862020884.db2.gz FODALLZOVPMRNZ-UHFFFAOYSA-N 1 2 394.910 3.859 20 30 GHEDLO CC(C)[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)ccn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000503962473 849803197 /nfs/dbraw/zinc/80/31/97/849803197.db2.gz LEDAROHGJHNQEX-PKOBYXMFSA-N 1 2 386.858 3.700 20 30 GHEDLO CC(C)[N@H+]1CC[C@H](NC(=O)c2cc(C#N)ccn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000503962473 849803201 /nfs/dbraw/zinc/80/32/01/849803201.db2.gz LEDAROHGJHNQEX-PKOBYXMFSA-N 1 2 386.858 3.700 20 30 GHEDLO C=CC[N@H+](CC(=O)NCCc1nc2ccccc2s1)Cc1cccc(C#N)c1 ZINC000434825272 849809128 /nfs/dbraw/zinc/80/91/28/849809128.db2.gz BBCUGDJFCKLODC-UHFFFAOYSA-N 1 2 390.512 3.515 20 30 GHEDLO C=CC[N@@H+](CC(=O)NCCc1nc2ccccc2s1)Cc1cccc(C#N)c1 ZINC000434825272 849809132 /nfs/dbraw/zinc/80/91/32/849809132.db2.gz BBCUGDJFCKLODC-UHFFFAOYSA-N 1 2 390.512 3.515 20 30 GHEDLO CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000505614154 850147258 /nfs/dbraw/zinc/14/72/58/850147258.db2.gz QDLQAHFSJXWCRB-GOSISDBHSA-N 1 2 385.309 3.989 20 30 GHEDLO C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000908664424 850257003 /nfs/dbraw/zinc/25/70/03/850257003.db2.gz FXFRSPWKKXZQEC-UHFFFAOYSA-N 1 2 395.898 3.655 20 30 GHEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425310789 850269105 /nfs/dbraw/zinc/26/91/05/850269105.db2.gz YDQGVRODIHQQAE-FQEVSTJZSA-N 1 2 379.460 3.622 20 30 GHEDLO C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000909238752 850655208 /nfs/dbraw/zinc/65/52/08/850655208.db2.gz AQYWPQVXPHFXOE-UHFFFAOYSA-N 1 2 399.502 3.869 20 30 GHEDLO N#Cc1ccccc1N1CC[NH+](Cc2cncc(OCc3ccccc3)c2)CC1 ZINC000487873264 850959342 /nfs/dbraw/zinc/95/93/42/850959342.db2.gz JVDZDKLJBIVWRO-UHFFFAOYSA-N 1 2 384.483 3.854 20 30 GHEDLO C[N@H+](CC(=O)Nc1cccc(F)c1)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000506806144 850977609 /nfs/dbraw/zinc/97/76/09/850977609.db2.gz PJYFRLYNCLNOGD-UHFFFAOYSA-N 1 2 391.450 3.673 20 30 GHEDLO C[N@@H+](CC(=O)Nc1cccc(F)c1)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000506806144 850977618 /nfs/dbraw/zinc/97/76/18/850977618.db2.gz PJYFRLYNCLNOGD-UHFFFAOYSA-N 1 2 391.450 3.673 20 30 GHEDLO Cc1ccccc1O[C@@H](C)C(=O)N1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000426621999 851003725 /nfs/dbraw/zinc/00/37/25/851003725.db2.gz ANAWLNZVCUHENN-MOPGFXCFSA-N 1 2 377.488 3.539 20 30 GHEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000425422674 851023922 /nfs/dbraw/zinc/02/39/22/851023922.db2.gz SNVJEZNPMNZXDD-QGZVFWFLSA-N 1 2 377.492 3.846 20 30 GHEDLO N#C[C@H]1C[N@@H+](Cc2ccccc2Oc2cccnc2)C[C@]12C(=O)Nc1ccccc12 ZINC000513976425 851069946 /nfs/dbraw/zinc/06/99/46/851069946.db2.gz WSXLPIGNQKNLJL-UUOWRZLLSA-N 1 2 396.450 3.719 20 30 GHEDLO N#C[C@H]1C[N@H+](Cc2ccccc2Oc2cccnc2)C[C@]12C(=O)Nc1ccccc12 ZINC000513976425 851069951 /nfs/dbraw/zinc/06/99/51/851069951.db2.gz WSXLPIGNQKNLJL-UUOWRZLLSA-N 1 2 396.450 3.719 20 30 GHEDLO Cc1ccc(F)c(N2CCC[C@@H]([NH+]3CCC(C#N)(c4ccccn4)CC3)C2=O)c1 ZINC000515516789 851118149 /nfs/dbraw/zinc/11/81/49/851118149.db2.gz KRNZYHCBYAURNA-LJQANCHMSA-N 1 2 392.478 3.582 20 30 GHEDLO C[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C[C@H]1OCCc2ccccc21 ZINC000514002702 851131881 /nfs/dbraw/zinc/13/18/81/851131881.db2.gz ZOIUPHVDDNGXSK-OAQYLSRUSA-N 1 2 397.906 3.832 20 30 GHEDLO C[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C[C@H]1OCCc2ccccc21 ZINC000514002702 851131884 /nfs/dbraw/zinc/13/18/84/851131884.db2.gz ZOIUPHVDDNGXSK-OAQYLSRUSA-N 1 2 397.906 3.832 20 30 GHEDLO N#Cc1c(F)cccc1C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000488316440 851388380 /nfs/dbraw/zinc/38/83/80/851388380.db2.gz QVUXRAXTXVFNIV-UHFFFAOYSA-N 1 2 388.406 3.586 20 30 GHEDLO COc1ccc(-c2noc(C[N@H+](C)[C@H](C)c3cccc(C#N)c3)n2)c(OC)c1 ZINC000425529707 851556743 /nfs/dbraw/zinc/55/67/43/851556743.db2.gz COZKHWPVARHCSH-CQSZACIVSA-N 1 2 378.432 3.818 20 30 GHEDLO COc1ccc(-c2noc(C[N@@H+](C)[C@H](C)c3cccc(C#N)c3)n2)c(OC)c1 ZINC000425529707 851556754 /nfs/dbraw/zinc/55/67/54/851556754.db2.gz COZKHWPVARHCSH-CQSZACIVSA-N 1 2 378.432 3.818 20 30 GHEDLO COc1ccc2c(c1)C1(CC1)C[N@H+]([C@@H](C)C(=O)Nc1ccc3c(c1)OCCO3)C2 ZINC000329786128 862321401 /nfs/dbraw/zinc/32/14/01/862321401.db2.gz QLNVIYJDGUVHGN-HNNXBMFYSA-N 1 2 394.471 3.990 20 30 GHEDLO COc1ccc2c(c1)C1(CC1)C[N@@H+]([C@@H](C)C(=O)Nc1ccc3c(c1)OCCO3)C2 ZINC000329786128 862321421 /nfs/dbraw/zinc/32/14/21/862321421.db2.gz QLNVIYJDGUVHGN-HNNXBMFYSA-N 1 2 394.471 3.990 20 30 GHEDLO CCc1nsc(N2CCC[N@H+](CC(=O)N[C@@H]3CCCc4ccccc43)CC2)n1 ZINC000329827179 862351860 /nfs/dbraw/zinc/35/18/60/862351860.db2.gz RNEZAQHQMFGAAN-GOSISDBHSA-N 1 2 399.564 3.647 20 30 GHEDLO CCc1nsc(N2CCC[N@@H+](CC(=O)N[C@@H]3CCCc4ccccc43)CC2)n1 ZINC000329827179 862351877 /nfs/dbraw/zinc/35/18/77/862351877.db2.gz RNEZAQHQMFGAAN-GOSISDBHSA-N 1 2 399.564 3.647 20 30 GHEDLO C[C@H](c1cccc(NC(=O)CSCc2ccc(C#N)cc2)c1)[NH+]1CCOCC1 ZINC000517854836 852520785 /nfs/dbraw/zinc/52/07/85/852520785.db2.gz NFULDGAHYJTALG-QGZVFWFLSA-N 1 2 395.528 3.823 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1Cl ZINC000490048660 852735709 /nfs/dbraw/zinc/73/57/09/852735709.db2.gz LUYILPNPODTXFQ-UHFFFAOYSA-N 1 2 384.823 3.723 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1Cl ZINC000490048660 852735718 /nfs/dbraw/zinc/73/57/18/852735718.db2.gz LUYILPNPODTXFQ-UHFFFAOYSA-N 1 2 384.823 3.723 20 30 GHEDLO CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507295294 852757083 /nfs/dbraw/zinc/75/70/83/852757083.db2.gz HEQBYWSMKZTWNE-FQEVSTJZSA-N 1 2 390.531 3.506 20 30 GHEDLO C[C@@H](NC(=O)[C@H](C)[NH+]1CCN(c2ccccc2C#N)CC1)c1ccc(Cl)cc1 ZINC000507295599 852757899 /nfs/dbraw/zinc/75/78/99/852757899.db2.gz IMJPKKNROPTCAI-SJORKVTESA-N 1 2 396.922 3.600 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(C(=O)Nc3cccc(F)c3)CC2)c1C ZINC000507289954 852763323 /nfs/dbraw/zinc/76/33/23/852763323.db2.gz CJLUFVVXKYTAKR-UHFFFAOYSA-N 1 2 397.494 3.963 20 30 GHEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](CCOc2ccc3ccccc3c2)CC1 ZINC000029227698 852872202 /nfs/dbraw/zinc/87/22/02/852872202.db2.gz OSDSBLHTDZBJPJ-UHFFFAOYSA-N 1 2 388.471 3.778 20 30 GHEDLO CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)s2)[C@@H]1c1ccc(F)c(F)c1 ZINC000490255088 852872232 /nfs/dbraw/zinc/87/22/32/852872232.db2.gz XVSPJGCUECJABS-WMZOPIPTSA-N 1 2 375.444 3.852 20 30 GHEDLO CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)s2)[C@@H]1c1ccc(F)c(F)c1 ZINC000490255088 852872239 /nfs/dbraw/zinc/87/22/39/852872239.db2.gz XVSPJGCUECJABS-WMZOPIPTSA-N 1 2 375.444 3.852 20 30 GHEDLO O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)N2CCC[C@@]3(CCCOC3)C2)c1 ZINC000329912771 862418357 /nfs/dbraw/zinc/41/83/57/862418357.db2.gz BLQMXGMCXUQZDT-JOCHJYFZSA-N 1 2 396.491 3.594 20 30 GHEDLO C=C[C@@](C)(CCOC)C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000437645029 853356553 /nfs/dbraw/zinc/35/65/53/853356553.db2.gz YJACUWWERKWVPS-NRFANRHFSA-N 1 2 385.533 3.869 20 30 GHEDLO C=C[C@@](C)(CCOC)C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000437645029 853356565 /nfs/dbraw/zinc/35/65/65/853356565.db2.gz YJACUWWERKWVPS-NRFANRHFSA-N 1 2 385.533 3.869 20 30 GHEDLO Cn1cc(-c2nc(C[NH+]3CCC(Oc4ccc(C#N)cc4F)CC3)cs2)cn1 ZINC000586783446 853545435 /nfs/dbraw/zinc/54/54/35/853545435.db2.gz NITLYCICQDOZBO-UHFFFAOYSA-N 1 2 397.479 3.598 20 30 GHEDLO COc1ccccc1O[C@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000586784723 853545849 /nfs/dbraw/zinc/54/58/49/853545849.db2.gz XEBGGYYONLJUJB-KRWDZBQOSA-N 1 2 399.878 3.702 20 30 GHEDLO COc1ccccc1O[C@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000586784723 853545859 /nfs/dbraw/zinc/54/58/59/853545859.db2.gz XEBGGYYONLJUJB-KRWDZBQOSA-N 1 2 399.878 3.702 20 30 GHEDLO CCc1ccc2c(c1)[C@H](CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C(=O)N2 ZINC000330005642 862500415 /nfs/dbraw/zinc/50/04/15/862500415.db2.gz DIPCQNUEAYOXRV-PXNSSMCTSA-N 1 2 385.508 3.924 20 30 GHEDLO CCc1ccc2c(c1)[C@H](CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C(=O)N2 ZINC000330005642 862500427 /nfs/dbraw/zinc/50/04/27/862500427.db2.gz DIPCQNUEAYOXRV-PXNSSMCTSA-N 1 2 385.508 3.924 20 30 GHEDLO C=CCc1cc(C[N@@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)c(O)c(OC)c1 ZINC000164276500 853804167 /nfs/dbraw/zinc/80/41/67/853804167.db2.gz OVWAMTAGYNZQPU-FQEVSTJZSA-N 1 2 375.415 3.981 20 30 GHEDLO C=CCc1cc(C[N@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)c(O)c(OC)c1 ZINC000164276500 853804170 /nfs/dbraw/zinc/80/41/70/853804170.db2.gz OVWAMTAGYNZQPU-FQEVSTJZSA-N 1 2 375.415 3.981 20 30 GHEDLO CCOc1ccc(C[NH+]2CCN(C(=O)Nc3cc(C#N)ccc3C)CC2)cc1 ZINC000058452519 862517841 /nfs/dbraw/zinc/51/78/41/862517841.db2.gz QARLDTIRORQDRE-UHFFFAOYSA-N 1 2 378.476 3.615 20 30 GHEDLO O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045061058 854149999 /nfs/dbraw/zinc/14/99/99/854149999.db2.gz XOPYHKSQQJPKFD-UHFFFAOYSA-N 1 2 383.373 3.732 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3COCCN3C3CCCC3)n2)C1 ZINC000330077636 862557796 /nfs/dbraw/zinc/55/77/96/862557796.db2.gz HPMZOBINCSYHEO-QAPCUYQASA-N 1 2 392.569 3.606 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3COCCN3C3CCCC3)n2)C1 ZINC000330077636 862557805 /nfs/dbraw/zinc/55/78/05/862557805.db2.gz HPMZOBINCSYHEO-QAPCUYQASA-N 1 2 392.569 3.606 20 30 GHEDLO Cn1ncc2c1C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)CC2 ZINC000328651329 854489579 /nfs/dbraw/zinc/48/95/79/854489579.db2.gz JORDCBNKHTWWGW-XVGQJIODSA-N 1 2 390.890 3.719 20 30 GHEDLO Cn1ncc2c1C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)CC2 ZINC000328651329 854489589 /nfs/dbraw/zinc/48/95/89/854489589.db2.gz JORDCBNKHTWWGW-XVGQJIODSA-N 1 2 390.890 3.719 20 30 GHEDLO CCC(CC)[C@H](C(=O)N[C@H]1CCN(C(C)=O)c2ccccc21)[NH+]1CCOCC1 ZINC000328796420 854559877 /nfs/dbraw/zinc/55/98/77/854559877.db2.gz DBYIWYPGTRNIEB-PZJWPPBQSA-N 1 2 387.524 3.578 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000328952647 854615224 /nfs/dbraw/zinc/61/52/24/854615224.db2.gz CZUSUAQBZOAMIS-WCQYABFASA-N 1 2 397.504 3.835 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000328952647 854615226 /nfs/dbraw/zinc/61/52/26/854615226.db2.gz CZUSUAQBZOAMIS-WCQYABFASA-N 1 2 397.504 3.835 20 30 GHEDLO N#CCc1cccc(S(=O)(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1 ZINC000589586672 855023346 /nfs/dbraw/zinc/02/33/46/855023346.db2.gz RYHJZLWLHNFHAH-UHFFFAOYSA-N 1 2 392.484 3.753 20 30 GHEDLO Cc1ccc(-c2csc(NC(=O)C[N@@H+]3CCS[C@@H]4COCC[C@H]43)n2)cc1 ZINC000330172956 862633747 /nfs/dbraw/zinc/63/37/47/862633747.db2.gz GXQCXQHLGQKSQK-IAGOWNOFSA-N 1 2 389.546 3.913 20 30 GHEDLO Cc1ccc(-c2csc(NC(=O)C[N@H+]3CCS[C@@H]4COCC[C@H]43)n2)cc1 ZINC000330172956 862633760 /nfs/dbraw/zinc/63/37/60/862633760.db2.gz GXQCXQHLGQKSQK-IAGOWNOFSA-N 1 2 389.546 3.913 20 30 GHEDLO N#Cc1cccc(C(=O)N(CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)n1 ZINC000589613145 855061732 /nfs/dbraw/zinc/06/17/32/855061732.db2.gz IKZAWXCRJPVPGP-UHFFFAOYSA-N 1 2 397.841 3.675 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@H]3CCOC4(CCC4)C3)n2)C1 ZINC000330187908 862646754 /nfs/dbraw/zinc/64/67/54/862646754.db2.gz UCPAQBGLJKTYPA-HUUCEWRRSA-N 1 2 378.542 3.803 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@H]3CCOC4(CCC4)C3)n2)C1 ZINC000330187908 862646760 /nfs/dbraw/zinc/64/67/60/862646760.db2.gz UCPAQBGLJKTYPA-HUUCEWRRSA-N 1 2 378.542 3.803 20 30 GHEDLO C=C[C@@](C)(CC)C(=O)N1CC[NH+](CCCc2nc(-c3ccc(C)cc3)no2)CC1 ZINC000190494455 855327001 /nfs/dbraw/zinc/32/70/01/855327001.db2.gz BJMRCTZAFOELHZ-QHCPKHFHSA-N 1 2 396.535 3.724 20 30 GHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2c(F)cc(C#N)cc2F)c(C)c1 ZINC000441502724 855485750 /nfs/dbraw/zinc/48/57/50/855485750.db2.gz UVDGCAKJRSRMKW-IBGZPJMESA-N 1 2 380.398 3.821 20 30 GHEDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000330277245 862714662 /nfs/dbraw/zinc/71/46/62/862714662.db2.gz NZATZCPMOMRNNG-XUVXKRRUSA-N 1 2 380.492 3.979 20 30 GHEDLO CC(=O)c1ccc(C#N)c(NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)c1 ZINC000302105362 855816927 /nfs/dbraw/zinc/81/69/27/855816927.db2.gz NEWBRODRLRLKGF-HSZRJFAPSA-N 1 2 376.504 3.552 20 30 GHEDLO CC(=O)c1ccc(C#N)c(NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)c1 ZINC000302105362 855816937 /nfs/dbraw/zinc/81/69/37/855816937.db2.gz NEWBRODRLRLKGF-HSZRJFAPSA-N 1 2 376.504 3.552 20 30 GHEDLO N#Cc1c2c(sc1NC(=O)C[N@@H+]1CC[C@@H](c3cccnc3)C1)CCCCC2 ZINC000573363370 856066842 /nfs/dbraw/zinc/06/68/42/856066842.db2.gz SMXXSHIZCYRCCW-MRXNPFEDSA-N 1 2 380.517 3.712 20 30 GHEDLO N#Cc1c2c(sc1NC(=O)C[N@H+]1CC[C@@H](c3cccnc3)C1)CCCCC2 ZINC000573363370 856066855 /nfs/dbraw/zinc/06/68/55/856066855.db2.gz SMXXSHIZCYRCCW-MRXNPFEDSA-N 1 2 380.517 3.712 20 30 GHEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3cc(C#N)ccc3C)CC2)c1 ZINC000171382822 856113107 /nfs/dbraw/zinc/11/31/07/856113107.db2.gz YEBUOSNKVAQLNE-QGZVFWFLSA-N 1 2 378.476 3.786 20 30 GHEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3cc(C#N)ccc3C)CC2)c1 ZINC000171382818 856113380 /nfs/dbraw/zinc/11/33/80/856113380.db2.gz YEBUOSNKVAQLNE-KRWDZBQOSA-N 1 2 378.476 3.786 20 30 GHEDLO N#Cc1ccc(OCC[N@@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)cc1 ZINC000109098978 856229729 /nfs/dbraw/zinc/22/97/29/856229729.db2.gz KXIXGDVENBIUFP-LJQANCHMSA-N 1 2 387.277 3.773 20 30 GHEDLO N#Cc1ccc(OCC[N@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)cc1 ZINC000109098978 856229740 /nfs/dbraw/zinc/22/97/40/856229740.db2.gz KXIXGDVENBIUFP-LJQANCHMSA-N 1 2 387.277 3.773 20 30 GHEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000133948660 862781297 /nfs/dbraw/zinc/78/12/97/862781297.db2.gz UQHKXWJYGPCXMK-ZDUSSCGKSA-N 1 2 391.397 3.797 20 30 GHEDLO Cn1cc(C[NH+]2CCN(c3c(F)cccc3F)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000592133023 856678905 /nfs/dbraw/zinc/67/89/05/856678905.db2.gz LBSFFICPSUXIQO-UHFFFAOYSA-N 1 2 393.441 3.559 20 30 GHEDLO CC(C)(C)c1ccccc1NC(=O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000026866779 856724828 /nfs/dbraw/zinc/72/48/28/856724828.db2.gz IXUTVACTNOOTSD-UHFFFAOYSA-N 1 2 390.531 3.612 20 30 GHEDLO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245607665 856998899 /nfs/dbraw/zinc/99/88/99/856998899.db2.gz SPGMUXVABXHFEQ-IEBWSBKVSA-N 1 2 386.858 3.700 20 30 GHEDLO CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245607665 856998909 /nfs/dbraw/zinc/99/89/09/856998909.db2.gz SPGMUXVABXHFEQ-IEBWSBKVSA-N 1 2 386.858 3.700 20 30 GHEDLO Cc1c2cc(C#N)ccc2sc1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000428060921 857049663 /nfs/dbraw/zinc/04/96/63/857049663.db2.gz FPPUFJYQJPAIQA-UHFFFAOYSA-N 1 2 381.526 3.931 20 30 GHEDLO Cc1c2cc(C#N)ccc2sc1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000428060921 857049670 /nfs/dbraw/zinc/04/96/70/857049670.db2.gz FPPUFJYQJPAIQA-UHFFFAOYSA-N 1 2 381.526 3.931 20 30 GHEDLO N#Cc1ccc(C(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)o1 ZINC000428165428 857148463 /nfs/dbraw/zinc/14/84/63/857148463.db2.gz NZJDCJRNOMSHAU-GOSISDBHSA-N 1 2 377.469 3.742 20 30 GHEDLO N#Cc1ccc(C(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)o1 ZINC000428165428 857148469 /nfs/dbraw/zinc/14/84/69/857148469.db2.gz NZJDCJRNOMSHAU-GOSISDBHSA-N 1 2 377.469 3.742 20 30 GHEDLO N#Cc1ccc(Br)c(C[NH2+]Cc2cccnc2OCC(F)F)c1 ZINC000921945649 857225232 /nfs/dbraw/zinc/22/52/32/857225232.db2.gz RBDRUBRRZBSCCR-UHFFFAOYSA-N 1 2 382.208 3.649 20 30 GHEDLO Cc1ccnc(OC2CC[NH+]([C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)c1 ZINC000542981161 857382462 /nfs/dbraw/zinc/38/24/62/857382462.db2.gz OBNFJKSYMUBMOJ-OAHLLOKOSA-N 1 2 398.894 3.786 20 30 GHEDLO COc1ccc(C[N@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1F ZINC000027211100 857650174 /nfs/dbraw/zinc/65/01/74/857650174.db2.gz XLAQYTNBQYJGTL-UHFFFAOYSA-N 1 2 383.467 3.830 20 30 GHEDLO COc1ccc(C[N@@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1F ZINC000027211100 857650183 /nfs/dbraw/zinc/65/01/83/857650183.db2.gz XLAQYTNBQYJGTL-UHFFFAOYSA-N 1 2 383.467 3.830 20 30 GHEDLO N#CC[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)C1 ZINC000594661010 858258272 /nfs/dbraw/zinc/25/82/72/858258272.db2.gz UZTKJBJBRWVIJR-XHDPSFHLSA-N 1 2 399.800 3.616 20 30 GHEDLO N#CC[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)C1 ZINC000594661010 858258280 /nfs/dbraw/zinc/25/82/80/858258280.db2.gz UZTKJBJBRWVIJR-XHDPSFHLSA-N 1 2 399.800 3.616 20 30 GHEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000171041296 863007357 /nfs/dbraw/zinc/00/73/57/863007357.db2.gz ZYVCFCYRVUZYTO-UHFFFAOYSA-N 1 2 387.487 3.923 20 30 GHEDLO CCOc1cc(C[N@H+](C)CC(=O)Nc2cccc(C#N)c2)ccc1OC(F)F ZINC000046776895 858488271 /nfs/dbraw/zinc/48/82/71/858488271.db2.gz GSWUHWZEFWHXAD-UHFFFAOYSA-N 1 2 389.402 3.629 20 30 GHEDLO CCOc1cc(C[N@@H+](C)CC(=O)Nc2cccc(C#N)c2)ccc1OC(F)F ZINC000046776895 858488275 /nfs/dbraw/zinc/48/82/75/858488275.db2.gz GSWUHWZEFWHXAD-UHFFFAOYSA-N 1 2 389.402 3.629 20 30 GHEDLO N#CCCn1ncc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1-c1ccccc1 ZINC000428274453 858519705 /nfs/dbraw/zinc/51/97/05/858519705.db2.gz IRIHEHSNJALPHC-UHFFFAOYSA-N 1 2 382.427 3.902 20 30 GHEDLO Cc1cc([C@@H](C)NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)s1 ZINC000046906264 858599204 /nfs/dbraw/zinc/59/92/04/858599204.db2.gz BSOROYKHRVVFLU-MRXNPFEDSA-N 1 2 382.533 3.825 20 30 GHEDLO COc1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)C2 ZINC000595759819 858660699 /nfs/dbraw/zinc/66/06/99/858660699.db2.gz QKWCDIOIPLSPJP-INIZCTEOSA-N 1 2 381.451 3.528 20 30 GHEDLO COc1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)C2 ZINC000595759819 858660704 /nfs/dbraw/zinc/66/07/04/858660704.db2.gz QKWCDIOIPLSPJP-INIZCTEOSA-N 1 2 381.451 3.528 20 30 GHEDLO C=C(Br)CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000059926432 858767417 /nfs/dbraw/zinc/76/74/17/858767417.db2.gz ROKPQEACZUPOAK-UHFFFAOYSA-N 1 2 379.327 3.864 20 30 GHEDLO C=CC[N@H+](Cc1nccn1-c1ccccc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000483272602 859245080 /nfs/dbraw/zinc/24/50/80/859245080.db2.gz RFJPACQJTGBSKD-GOSISDBHSA-N 1 2 385.475 3.597 20 30 GHEDLO C=CC[N@@H+](Cc1nccn1-c1ccccc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000483272602 859245090 /nfs/dbraw/zinc/24/50/90/859245090.db2.gz RFJPACQJTGBSKD-GOSISDBHSA-N 1 2 385.475 3.597 20 30 GHEDLO C#CC[C@@]1(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)CCCN1C(=O)OC(C)(C)C ZINC000764459893 859456078 /nfs/dbraw/zinc/45/60/78/859456078.db2.gz LLEMGFDDJMNVAM-QFIPXVFZSA-N 1 2 394.475 3.808 20 30 GHEDLO C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)c1cccc(C#N)c1 ZINC000611199048 859639633 /nfs/dbraw/zinc/63/96/33/859639633.db2.gz KDLNGFKGRUPNSX-SVIJTADQSA-N 1 2 384.430 3.642 20 30 GHEDLO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)c1cccc(C#N)c1 ZINC000611199048 859639634 /nfs/dbraw/zinc/63/96/34/859639634.db2.gz KDLNGFKGRUPNSX-SVIJTADQSA-N 1 2 384.430 3.642 20 30 GHEDLO CC(C)C[C@@H](C(=O)N[C@H](C#N)c1ccc(Br)cc1)n1cc[nH+]c1 ZINC000602051816 859728455 /nfs/dbraw/zinc/72/84/55/859728455.db2.gz FQSOETGCVMCUGU-CVEARBPZSA-N 1 2 375.270 3.614 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCc4c3cccc4Cl)CC2)cc1 ZINC000611410376 859745366 /nfs/dbraw/zinc/74/53/66/859745366.db2.gz STNLBKWVSJCJOY-HXUWFJFHSA-N 1 2 379.891 3.586 20 30 GHEDLO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000593404741 859749823 /nfs/dbraw/zinc/74/98/23/859749823.db2.gz XQVQOSOBIUVXNV-UHFFFAOYSA-N 1 2 387.443 3.768 20 30 GHEDLO N#Cc1ccc(CN2CCC([NH2+]Cc3c(F)c(F)cc(F)c3F)CC2)cc1 ZINC000611438709 859761422 /nfs/dbraw/zinc/76/14/22/859761422.db2.gz PYZYBKIBLKREDL-UHFFFAOYSA-N 1 2 377.385 3.869 20 30 GHEDLO N#Cc1ccc(Oc2ccc(NC(=O)c3cc(-n4cc[nH+]c4)ccn3)cn2)cc1 ZINC000611510336 859790636 /nfs/dbraw/zinc/79/06/36/859790636.db2.gz VOHZJIUASOKQEY-UHFFFAOYSA-N 1 2 382.383 3.579 20 30 GHEDLO C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cc1 ZINC000474418224 860019131 /nfs/dbraw/zinc/01/91/31/860019131.db2.gz UOKJKJZSDHIFBQ-CQSZACIVSA-N 1 2 381.480 3.584 20 30 GHEDLO C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cc1 ZINC000474418224 860019136 /nfs/dbraw/zinc/01/91/36/860019136.db2.gz UOKJKJZSDHIFBQ-CQSZACIVSA-N 1 2 381.480 3.584 20 30 GHEDLO C#CC[N@@H+](CC(=O)Nc1nnc(-c2sccc2C)o1)[C@@H]1CCc2ccccc21 ZINC000727758045 860217914 /nfs/dbraw/zinc/21/79/14/860217914.db2.gz LBEMZWSDOIPVNS-QGZVFWFLSA-N 1 2 392.484 3.668 20 30 GHEDLO C#CC[N@H+](CC(=O)Nc1nnc(-c2sccc2C)o1)[C@@H]1CCc2ccccc21 ZINC000727758045 860217918 /nfs/dbraw/zinc/21/79/18/860217918.db2.gz LBEMZWSDOIPVNS-QGZVFWFLSA-N 1 2 392.484 3.668 20 30 GHEDLO N#Cc1ccc(CNC(=O)C[N@@H+](CCC(F)(F)F)Cc2ccccc2)cc1 ZINC000484783710 860347313 /nfs/dbraw/zinc/34/73/13/860347313.db2.gz BZNJERHZEQIGRK-UHFFFAOYSA-N 1 2 375.394 3.629 20 30 GHEDLO N#Cc1ccc(CNC(=O)C[N@H+](CCC(F)(F)F)Cc2ccccc2)cc1 ZINC000484783710 860347327 /nfs/dbraw/zinc/34/73/27/860347327.db2.gz BZNJERHZEQIGRK-UHFFFAOYSA-N 1 2 375.394 3.629 20 30 GHEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000552230599 860399293 /nfs/dbraw/zinc/39/92/93/860399293.db2.gz MYTHMAHFWQAASW-IPJJNNNSSA-N 1 2 392.503 3.896 20 30 GHEDLO Cc1nsc(N2CC[NH+](Cc3c(Cl)ccc4cccnc43)CC2)c1C#N ZINC000329784193 860432451 /nfs/dbraw/zinc/43/24/51/860432451.db2.gz PCFIFTKFMBQRAQ-UHFFFAOYSA-N 1 2 383.908 3.847 20 30 GHEDLO N#Cc1ccc(CSCC(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC000474655139 860576084 /nfs/dbraw/zinc/57/60/84/860576084.db2.gz LJYXPSUVGJFVCN-UHFFFAOYSA-N 1 2 399.947 3.619 20 30 GHEDLO N#Cc1ccc(CSCC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC000474655139 860576096 /nfs/dbraw/zinc/57/60/96/860576096.db2.gz LJYXPSUVGJFVCN-UHFFFAOYSA-N 1 2 399.947 3.619 20 30 GHEDLO COCCOCc1cc(C#N)ccc1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000603335728 860664726 /nfs/dbraw/zinc/66/47/26/860664726.db2.gz NNUHXNBWHCWWJO-UHFFFAOYSA-N 1 2 382.508 3.615 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3(c4cccc(F)c4)CCCC3)CC2)cc1 ZINC000603447567 860729575 /nfs/dbraw/zinc/72/95/75/860729575.db2.gz AAUMLBCPVNQOPN-UHFFFAOYSA-N 1 2 391.490 3.854 20 30 GHEDLO CC(=O)N1CC[N@H+](CC(=O)NC2(c3ccccc3)CCC2)CC12CCCCC2 ZINC000329071680 860994272 /nfs/dbraw/zinc/99/42/72/860994272.db2.gz ZCEUIHUMDYKTPU-UHFFFAOYSA-N 1 2 383.536 3.889 20 30 GHEDLO CC(=O)N1CC[N@@H+](CC(=O)NC2(c3ccccc3)CCC2)CC12CCCCC2 ZINC000329071680 860994283 /nfs/dbraw/zinc/99/42/83/860994283.db2.gz ZCEUIHUMDYKTPU-UHFFFAOYSA-N 1 2 383.536 3.889 20 30 GHEDLO CC[N@@H+](Cc1cccc(OCCCC#N)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159888114 863130946 /nfs/dbraw/zinc/13/09/46/863130946.db2.gz NAHSPRDRSQRPKW-UHFFFAOYSA-N 1 2 376.460 3.628 20 30 GHEDLO CC[N@H+](Cc1cccc(OCCCC#N)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159888114 863130955 /nfs/dbraw/zinc/13/09/55/863130955.db2.gz NAHSPRDRSQRPKW-UHFFFAOYSA-N 1 2 376.460 3.628 20 30 GHEDLO CC(C)COC[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccco1 ZINC000184196937 864214555 /nfs/dbraw/zinc/21/45/55/864214555.db2.gz WIXLAZVYEMDISI-KRWDZBQOSA-N 1 2 375.856 3.747 20 30 GHEDLO COc1ccc(CC(N)=[NH+]OCc2sc(C)nc2C(F)(F)F)cc1OC ZINC000184198911 864217948 /nfs/dbraw/zinc/21/79/48/864217948.db2.gz CRXZJMLWOJBWNU-UHFFFAOYSA-N 1 2 389.399 3.519 20 30 GHEDLO CCn1cncc1C[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000897055564 864372144 /nfs/dbraw/zinc/37/21/44/864372144.db2.gz QMOQRYYTBRUWPM-UWVGGRQHSA-N 1 2 377.279 3.506 20 30 GHEDLO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000554541639 864528161 /nfs/dbraw/zinc/52/81/61/864528161.db2.gz IIPFWWPJRCASMT-VQTJNVASSA-N 1 2 386.459 3.630 20 30 GHEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCc3c(Cl)cc(Cl)cc3C2)cc1 ZINC000480366163 864560376 /nfs/dbraw/zinc/56/03/76/864560376.db2.gz PVGVNNLGAJLBOZ-INIZCTEOSA-N 1 2 377.271 3.663 20 30 GHEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCc3c(Cl)cc(Cl)cc3C2)cc1 ZINC000480366163 864560386 /nfs/dbraw/zinc/56/03/86/864560386.db2.gz PVGVNNLGAJLBOZ-INIZCTEOSA-N 1 2 377.271 3.663 20 30 GHEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000475289415 864719057 /nfs/dbraw/zinc/71/90/57/864719057.db2.gz AGQGUWODNDNWCP-PXNSSMCTSA-N 1 2 394.519 3.783 20 30 GHEDLO COC[C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1)c1ccc(C)o1 ZINC000184740028 864894283 /nfs/dbraw/zinc/89/42/83/864894283.db2.gz LCJHDMHTVGIXQP-ICSRJNTNSA-N 1 2 383.492 3.817 20 30 GHEDLO N#Cc1ccc(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)nc1Cl ZINC001127213873 865395494 /nfs/dbraw/zinc/39/54/94/865395494.db2.gz ASERCOUVPXTQTN-UHFFFAOYSA-N 1 2 375.819 3.774 20 30 GHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2nc3cc(F)ccc3n2C)cc1C ZINC000737993321 865467121 /nfs/dbraw/zinc/46/71/21/865467121.db2.gz IMRAJINSAAERCT-NRFANRHFSA-N 1 2 390.462 3.724 20 30 GHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2nc3cc(F)ccc3n2C)cc1C ZINC000737993321 865467124 /nfs/dbraw/zinc/46/71/24/865467124.db2.gz IMRAJINSAAERCT-NRFANRHFSA-N 1 2 390.462 3.724 20 30 GHEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000594272924 865642304 /nfs/dbraw/zinc/64/23/04/865642304.db2.gz JGJHJOKXXWIAFX-ROUUACIJSA-N 1 2 379.479 3.781 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC([C@@H](O)c3ccccc3)CC2)c(C#N)c1C ZINC000121348337 865860677 /nfs/dbraw/zinc/86/06/77/865860677.db2.gz IKVZKCKBHHVPKB-YWZLYKJASA-N 1 2 381.476 3.541 20 30 GHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000740943344 866113382 /nfs/dbraw/zinc/11/33/82/866113382.db2.gz VBQXVGMMPQBJOD-INIZCTEOSA-N 1 2 394.519 3.571 20 30 GHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000740943344 866113388 /nfs/dbraw/zinc/11/33/88/866113388.db2.gz VBQXVGMMPQBJOD-INIZCTEOSA-N 1 2 394.519 3.571 20 30 GHEDLO CCc1ccc(C[NH+]2CCN(C(=O)c3cc4ccccc4n3CC#N)CC2)s1 ZINC000609995208 866552903 /nfs/dbraw/zinc/55/29/03/866552903.db2.gz MZFBYUYGTUQXQQ-UHFFFAOYSA-N 1 2 392.528 3.747 20 30 GHEDLO CCOC(=O)COc1cccc(C(=O)/C=C\c2c[nH+]c3ccc(Cl)cn23)c1 ZINC000737444338 866764660 /nfs/dbraw/zinc/76/46/60/866764660.db2.gz PMTZYSJMAWGRJM-FPLPWBNLSA-N 1 2 384.819 3.826 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3nc4ccccc4s3)CC2)cc1 ZINC000121485238 867010037 /nfs/dbraw/zinc/01/00/37/867010037.db2.gz XHJBTFSOAFPWHP-UHFFFAOYSA-N 1 2 376.485 3.516 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3nc4ccccc4s3)CC2)cc1 ZINC000121485238 867010049 /nfs/dbraw/zinc/01/00/49/867010049.db2.gz XHJBTFSOAFPWHP-UHFFFAOYSA-N 1 2 376.485 3.516 20 30 GHEDLO CC[C@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)CCN1Cc1ccccc1 ZINC000183745975 867668134 /nfs/dbraw/zinc/66/81/34/867668134.db2.gz QRNTYUMOEXLBBL-IBGZPJMESA-N 1 2 382.533 3.545 20 30 GHEDLO CC[C@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)CCN1Cc1ccccc1 ZINC000183745975 867668151 /nfs/dbraw/zinc/66/81/51/867668151.db2.gz QRNTYUMOEXLBBL-IBGZPJMESA-N 1 2 382.533 3.545 20 30 GHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCc3cc(C#N)ccc3F)n2)C1 ZINC000743074989 867796420 /nfs/dbraw/zinc/79/64/20/867796420.db2.gz MBQKEXKLZQTHNL-ZDUSSCGKSA-N 1 2 387.484 3.707 20 30 GHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCc3cc(C#N)ccc3F)n2)C1 ZINC000743074989 867796436 /nfs/dbraw/zinc/79/64/36/867796436.db2.gz MBQKEXKLZQTHNL-ZDUSSCGKSA-N 1 2 387.484 3.707 20 30 GHEDLO C#CCOc1cc(F)ccc1NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000743147014 867898398 /nfs/dbraw/zinc/89/83/98/867898398.db2.gz YKINNUKHRDEOSW-UHFFFAOYSA-N 1 2 394.406 3.757 20 30 GHEDLO CC[NH+](CC)[C@H](CNS(=O)(=O)CCC(C)(C)C#N)c1ccccc1Cl ZINC000550824611 882165343 /nfs/dbraw/zinc/16/53/43/882165343.db2.gz LJSMNZDXANOBHW-QGZVFWFLSA-N 1 2 385.961 3.582 20 30 GHEDLO CCOc1ccc([C@H]2CCC[N@@H+]2Cn2cc3c(c(C#N)c2=O)CCCC3)cc1 ZINC000793485419 882222747 /nfs/dbraw/zinc/22/27/47/882222747.db2.gz ZEJRYFAXRSKAFD-JOCHJYFZSA-N 1 2 377.488 3.792 20 30 GHEDLO CCOc1ccc([C@H]2CCC[N@H+]2Cn2cc3c(c(C#N)c2=O)CCCC3)cc1 ZINC000793485419 882222763 /nfs/dbraw/zinc/22/27/63/882222763.db2.gz ZEJRYFAXRSKAFD-JOCHJYFZSA-N 1 2 377.488 3.792 20 30 GHEDLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(CC#N)cc1 ZINC000535434615 868760458 /nfs/dbraw/zinc/76/04/58/868760458.db2.gz DDCZIFKXOKVBNK-FDDCHVKYSA-N 1 2 390.531 3.829 20 30 GHEDLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(CC#N)cc1 ZINC000535434615 868760464 /nfs/dbraw/zinc/76/04/64/868760464.db2.gz DDCZIFKXOKVBNK-FDDCHVKYSA-N 1 2 390.531 3.829 20 30 GHEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(F)c(-c2cccs2)c1 ZINC000539908424 870005895 /nfs/dbraw/zinc/00/58/95/870005895.db2.gz VYFPBYPZGZBWDN-OAHLLOKOSA-N 1 2 393.491 3.927 20 30 GHEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(F)c(-c2cccs2)c1 ZINC000539908424 870005912 /nfs/dbraw/zinc/00/59/12/870005912.db2.gz VYFPBYPZGZBWDN-OAHLLOKOSA-N 1 2 393.491 3.927 20 30 GHEDLO C=CCO[C@H]1CC[N@@H+](CC(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)C1 ZINC001192499141 870434075 /nfs/dbraw/zinc/43/40/75/870434075.db2.gz ARCPMCOAHMLBLH-KRWDZBQOSA-N 1 2 385.533 3.951 20 30 GHEDLO C=CCO[C@H]1CC[N@H+](CC(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)C1 ZINC001192499141 870434090 /nfs/dbraw/zinc/43/40/90/870434090.db2.gz ARCPMCOAHMLBLH-KRWDZBQOSA-N 1 2 385.533 3.951 20 30 GHEDLO N#Cc1c2c(cn(C[N@@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)c1=O)CCC2 ZINC000766611245 871250536 /nfs/dbraw/zinc/25/05/36/871250536.db2.gz HKZKJAORCSTEJY-MRXNPFEDSA-N 1 2 390.512 3.655 20 30 GHEDLO N#Cc1c2c(cn(C[N@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)c1=O)CCC2 ZINC000766611245 871250559 /nfs/dbraw/zinc/25/05/59/871250559.db2.gz HKZKJAORCSTEJY-MRXNPFEDSA-N 1 2 390.512 3.655 20 30 GHEDLO C=CCC[C@H](O)C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccc(F)c1 ZINC001193772867 871273802 /nfs/dbraw/zinc/27/38/02/871273802.db2.gz MJFNICUNLKHGNV-RBUKOAKNSA-N 1 2 378.488 3.747 20 30 GHEDLO C=CCC[C@H](O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccc(F)c1 ZINC001193772867 871273822 /nfs/dbraw/zinc/27/38/22/871273822.db2.gz MJFNICUNLKHGNV-RBUKOAKNSA-N 1 2 378.488 3.747 20 30 GHEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC001194468381 871708686 /nfs/dbraw/zinc/70/86/86/871708686.db2.gz YKRRGYLECUTBLW-ALKREAHSSA-N 1 2 392.341 3.681 20 30 GHEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC001194468381 871708696 /nfs/dbraw/zinc/70/86/96/871708696.db2.gz YKRRGYLECUTBLW-ALKREAHSSA-N 1 2 392.341 3.681 20 30 GHEDLO C=CCOc1ccccc1CNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000462165748 871725200 /nfs/dbraw/zinc/72/52/00/871725200.db2.gz CKFKLROOECLFOF-KRWDZBQOSA-N 1 2 385.533 3.901 20 30 GHEDLO CCOC(=O)[C@@H](CCc1ccccc1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC001169746372 871819270 /nfs/dbraw/zinc/81/92/70/871819270.db2.gz YWHRHEYYWVISLV-HXUWFJFHSA-N 1 2 377.488 3.503 20 30 GHEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(NC[C@H](CO)Cc2ccccc2)[nH+]1 ZINC001169897527 871986408 /nfs/dbraw/zinc/98/64/08/871986408.db2.gz GCSMQPZDARWVFW-MNHNBOFMSA-N 1 2 387.549 3.534 20 30 GHEDLO Cn1c[nH+]cc1-c1cccc(C(=O)N2CCC[C@@H](Oc3ccc(C#N)cc3)C2)c1 ZINC001194909532 872027151 /nfs/dbraw/zinc/02/71/51/872027151.db2.gz NFGDNTCUVFLLFH-OAQYLSRUSA-N 1 2 386.455 3.642 20 30 GHEDLO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000619039730 872263228 /nfs/dbraw/zinc/26/32/28/872263228.db2.gz YOLPWVNXOKGIRS-NRFANRHFSA-N 1 2 389.503 3.668 20 30 GHEDLO C=CC[NH+]1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 ZINC001196158628 872917215 /nfs/dbraw/zinc/91/72/15/872917215.db2.gz OBYGSKNWJUZNDQ-UHFFFAOYSA-N 1 2 377.513 3.794 20 30 GHEDLO N#Cc1ccc(CNC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1Cl ZINC000619769302 873006373 /nfs/dbraw/zinc/00/63/73/873006373.db2.gz KZQIDACWXVRHSW-QPJJXVBHSA-N 1 2 394.906 3.752 20 30 GHEDLO CCCc1c(NC(=O)Cc2cn3cccc(C)c3[nH+]2)cnn1-c1cccc(C#N)c1 ZINC000527385720 873097186 /nfs/dbraw/zinc/09/71/86/873097186.db2.gz BLIZECSXWZXPIG-UHFFFAOYSA-N 1 2 398.470 3.834 20 30 GHEDLO C#CCCOc1ccc(C[NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000768236039 873184184 /nfs/dbraw/zinc/18/41/84/873184184.db2.gz GLSGZMCEZDONEJ-UHFFFAOYSA-N 1 2 382.891 3.700 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](C(F)(F)F)O[C@H](C)C2)cc1C ZINC001197484314 873831414 /nfs/dbraw/zinc/83/14/14/873831414.db2.gz WPRSHUODQQSOBJ-SJLPKXTDSA-N 1 2 397.441 3.592 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](C(F)(F)F)O[C@H](C)C2)cc1C ZINC001197484314 873831425 /nfs/dbraw/zinc/83/14/25/873831425.db2.gz WPRSHUODQQSOBJ-SJLPKXTDSA-N 1 2 397.441 3.592 20 30 GHEDLO N#Cc1cccc(NC(=S)NCc2c[nH+]cn2Cc2ccc(Cl)cc2)c1 ZINC001197743088 874020370 /nfs/dbraw/zinc/02/03/70/874020370.db2.gz AUOVDDPGDPHGEN-UHFFFAOYSA-N 1 2 381.892 3.943 20 30 GHEDLO C#C[C@H]([NH2+][C@@H](C(=O)Nc1ccccc1OCC)c1ccccc1)[C@H]1CCCO1 ZINC000775788135 874046986 /nfs/dbraw/zinc/04/69/86/874046986.db2.gz CXSSBGCUZXNUMX-CZTZKLFOSA-N 1 2 378.472 3.536 20 30 GHEDLO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H](C)c1nc(C2CCCCC2)no1 ZINC000541681921 874118434 /nfs/dbraw/zinc/11/84/34/874118434.db2.gz JNEFGNCCOBANGV-VQIMIIECSA-N 1 2 385.508 3.936 20 30 GHEDLO Cc1ccc2c(C[NH+]3CCN(c4ccc(C#N)cc4Cl)CC3)cc(=O)oc2c1 ZINC000769919662 874341110 /nfs/dbraw/zinc/34/11/10/874341110.db2.gz CVRQOHYBTIUOKD-UHFFFAOYSA-N 1 2 393.874 3.949 20 30 GHEDLO N#Cc1cccnc1N1CC[NH+](Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000449006887 874347992 /nfs/dbraw/zinc/34/79/92/874347992.db2.gz AVXPXOSXTGEAIT-UHFFFAOYSA-N 1 2 379.464 3.538 20 30 GHEDLO CCOC(=O)C1(C(=O)c2ccccc2)CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000449410949 874835879 /nfs/dbraw/zinc/83/58/79/874835879.db2.gz CYHUDIRFGUFNFT-UHFFFAOYSA-N 1 2 382.485 3.648 20 30 GHEDLO Cc1cc(C(O)=CONC(=[NH2+])COc2ccccc2)c(C)n1Cc1ccccc1 ZINC000105033446 874987735 /nfs/dbraw/zinc/98/77/35/874987735.db2.gz AARJFKKOHMLLIE-UHFFFAOYSA-N 1 2 391.471 3.704 20 30 GHEDLO CC(C)c1ccc(OCC2N=NC(=S)N2N=Cc2cccc3[nH+]ccn32)cc1 ZINC000771097448 875039222 /nfs/dbraw/zinc/03/92/22/875039222.db2.gz LATLVRBLLLBXIY-UHFFFAOYSA-N 1 2 392.488 3.799 20 30 GHEDLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3nc4ccccc4c(C)c3C#N)CC2)no1 ZINC000450469124 876480457 /nfs/dbraw/zinc/48/04/57/876480457.db2.gz QLXKAAFSGAMVJV-QGZVFWFLSA-N 1 2 390.491 3.597 20 30 GHEDLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3nc4ccccc4c(C)c3C#N)CC2)no1 ZINC000450469124 876480461 /nfs/dbraw/zinc/48/04/61/876480461.db2.gz QLXKAAFSGAMVJV-QGZVFWFLSA-N 1 2 390.491 3.597 20 30 GHEDLO CCCc1nc(CO[NH+]=C(N)c2ccc(COc3ccccc3F)cc2)no1 ZINC000109062739 876626554 /nfs/dbraw/zinc/62/65/54/876626554.db2.gz YMJDJQVLEUOZEU-UHFFFAOYSA-N 1 2 384.411 3.577 20 30 GHEDLO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@@H+]3C[C@@H](O)C[C@@H]3C)sc2C1 ZINC000530360761 877628694 /nfs/dbraw/zinc/62/86/94/877628694.db2.gz INBKNSASHJCBAF-ZNMIVQPWSA-N 1 2 389.565 3.554 20 30 GHEDLO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@H+]3C[C@@H](O)C[C@@H]3C)sc2C1 ZINC000530360761 877628702 /nfs/dbraw/zinc/62/87/02/877628702.db2.gz INBKNSASHJCBAF-ZNMIVQPWSA-N 1 2 389.565 3.554 20 30 GHEDLO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@](F)(C#N)C2)n1 ZINC000615531004 877821954 /nfs/dbraw/zinc/82/19/54/877821954.db2.gz MHWWJIKUIJDKGT-FQEVSTJZSA-N 1 2 381.480 3.862 20 30 GHEDLO CC(C)[C@@H]1C[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)CCS1 ZINC000245452824 877903183 /nfs/dbraw/zinc/90/31/83/877903183.db2.gz QQZIRCJEHBIQSF-QAPCUYQASA-N 1 2 377.579 3.950 20 30 GHEDLO CC(C)[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)CCS1 ZINC000245452824 877903191 /nfs/dbraw/zinc/90/31/91/877903191.db2.gz QQZIRCJEHBIQSF-QAPCUYQASA-N 1 2 377.579 3.950 20 30 GHEDLO NC(=[NH+]OCc1ncc(Br)s1)c1ccc(Br)cc1 ZINC000788505598 878113788 /nfs/dbraw/zinc/11/37/88/878113788.db2.gz LMZHVXPYNSHRDS-UHFFFAOYSA-N 1 2 391.088 3.505 20 30 GHEDLO Cc1cc(C(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000852318828 878236270 /nfs/dbraw/zinc/23/62/70/878236270.db2.gz CEEHMHGRYZBPHC-SFHVURJKSA-N 1 2 393.487 3.690 20 30 GHEDLO Cc1cc(C(=O)C[N@H+]2CCC[C@@H](CC#N)C2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000852318828 878236291 /nfs/dbraw/zinc/23/62/91/878236291.db2.gz CEEHMHGRYZBPHC-SFHVURJKSA-N 1 2 393.487 3.690 20 30 GHEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+](C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000852330793 878248144 /nfs/dbraw/zinc/24/81/44/878248144.db2.gz GDFRGZGTRKRJAP-PXNSSMCTSA-N 1 2 389.421 3.561 20 30 GHEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+](C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000852330793 878248161 /nfs/dbraw/zinc/24/81/61/878248161.db2.gz GDFRGZGTRKRJAP-PXNSSMCTSA-N 1 2 389.421 3.561 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000530962401 878812265 /nfs/dbraw/zinc/81/22/65/878812265.db2.gz AWVIAHLZCIPXBT-OAQYLSRUSA-N 1 2 378.476 3.564 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000530962401 878812275 /nfs/dbraw/zinc/81/22/75/878812275.db2.gz AWVIAHLZCIPXBT-OAQYLSRUSA-N 1 2 378.476 3.564 20 30 GHEDLO CCOc1cccc(C[N@H+](CCO)Cc2ccc(C#N)cc2Br)c1 ZINC000452052652 878909895 /nfs/dbraw/zinc/90/98/95/878909895.db2.gz ZYIHMNAQACUTNG-UHFFFAOYSA-N 1 2 389.293 3.714 20 30 GHEDLO CCOc1cccc(C[N@@H+](CCO)Cc2ccc(C#N)cc2Br)c1 ZINC000452052652 878909902 /nfs/dbraw/zinc/90/99/02/878909902.db2.gz ZYIHMNAQACUTNG-UHFFFAOYSA-N 1 2 389.293 3.714 20 30 GHEDLO CCOc1cccc([C@H](C)NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000068842818 879089880 /nfs/dbraw/zinc/08/98/80/879089880.db2.gz OKNXEFWHAMRQGY-SFHVURJKSA-N 1 2 392.503 3.545 20 30 GHEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(OC)c(OCc3cccnc3)c2)n1 ZINC000789759216 879239224 /nfs/dbraw/zinc/23/92/24/879239224.db2.gz QEOOGIJTYIMJIC-UHFFFAOYSA-N 1 2 390.487 3.521 20 30 GHEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(OC)c(OCc3cccnc3)c2)n1 ZINC000789759216 879239239 /nfs/dbraw/zinc/23/92/39/879239239.db2.gz QEOOGIJTYIMJIC-UHFFFAOYSA-N 1 2 390.487 3.521 20 30 GHEDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2c(C)oc(-n3cccc3)c2C#N)c1C ZINC000746864453 879358315 /nfs/dbraw/zinc/35/83/15/879358315.db2.gz QJLKDVDDJTZBBR-UHFFFAOYSA-N 1 2 378.432 3.543 20 30 GHEDLO CC(C)[N@@H+]1CC[C@H](NC(=O)c2sccc2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000494139544 879943734 /nfs/dbraw/zinc/94/37/34/879943734.db2.gz DRYIJTCSRJTWNR-IRXDYDNUSA-N 1 2 375.444 3.852 20 30 GHEDLO CC(C)[N@H+]1CC[C@H](NC(=O)c2sccc2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000494139544 879943750 /nfs/dbraw/zinc/94/37/50/879943750.db2.gz DRYIJTCSRJTWNR-IRXDYDNUSA-N 1 2 375.444 3.852 20 30 GHEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCCC[C@@H]1C(=O)OCc1ccccc1 ZINC000791644263 880578453 /nfs/dbraw/zinc/57/84/53/880578453.db2.gz ZTVQXIIKVFUAEM-GOSISDBHSA-N 1 2 397.500 3.546 20 30 GHEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCCC[C@@H]1C(=O)OCc1ccccc1 ZINC000791644263 880578467 /nfs/dbraw/zinc/57/84/67/880578467.db2.gz ZTVQXIIKVFUAEM-GOSISDBHSA-N 1 2 397.500 3.546 20 30 GHEDLO C=CCn1c2nnc(SCc3ccc(C)[nH+]c3C)n2c2ccccc2c1=O ZINC000187308236 881143060 /nfs/dbraw/zinc/14/30/60/881143060.db2.gz DWIJHCUBZIEPGP-UHFFFAOYSA-N 1 2 377.473 3.534 20 30 GHEDLO CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000532124262 881187410 /nfs/dbraw/zinc/18/74/10/881187410.db2.gz SIKKXTBUHOGPDV-SFHVURJKSA-N 1 2 385.309 3.989 20 30 GHEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H]([NH2+]Cc2ccccc2CC(F)(F)F)C1 ZINC000858591258 883220754 /nfs/dbraw/zinc/22/07/54/883220754.db2.gz OUTGXBJOTJAFOT-HZPDHXFCSA-N 1 2 383.414 3.640 20 30 GHEDLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(F)c(C#N)c1 ZINC000551261543 883569240 /nfs/dbraw/zinc/56/92/40/883569240.db2.gz LCGQBWSDTBTWRB-ZHRRBRCNSA-N 1 2 394.494 3.774 20 30 GHEDLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(F)c(C#N)c1 ZINC000551261543 883569253 /nfs/dbraw/zinc/56/92/53/883569253.db2.gz LCGQBWSDTBTWRB-ZHRRBRCNSA-N 1 2 394.494 3.774 20 30 GHEDLO COc1ccc(Cl)c(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000064547987 883674735 /nfs/dbraw/zinc/67/47/35/883674735.db2.gz QXUVUUYYRRKIJZ-UHFFFAOYSA-N 1 2 384.867 3.570 20 30 GHEDLO Cc1cccc(C2(Nc3cc(/C=N/[S@@](=O)C(C)(C)C)cc(C)[nH+]3)COC2)c1 ZINC001168471289 883958332 /nfs/dbraw/zinc/95/83/32/883958332.db2.gz VCPCGTTXPSJJOQ-PKUYGVDJSA-N 1 2 385.533 3.917 20 30 GHEDLO COc1ccc(NC(=O)CC[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1Cl ZINC000761758115 884072789 /nfs/dbraw/zinc/07/27/89/884072789.db2.gz QGBGXLFYWLNVLG-FQEVSTJZSA-N 1 2 399.878 3.622 20 30 GHEDLO COc1ccc(NC(=O)CC[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1Cl ZINC000761758115 884072799 /nfs/dbraw/zinc/07/27/99/884072799.db2.gz QGBGXLFYWLNVLG-FQEVSTJZSA-N 1 2 399.878 3.622 20 30 GHEDLO N#Cc1cccc([C@H]2C[N@H+](CCCc3nc(-c4cccs4)no3)CCO2)c1 ZINC000761766668 884196530 /nfs/dbraw/zinc/19/65/30/884196530.db2.gz UFRCFBRLKYAHHF-QGZVFWFLSA-N 1 2 380.473 3.676 20 30 GHEDLO N#Cc1cccc([C@H]2C[N@@H+](CCCc3nc(-c4cccs4)no3)CCO2)c1 ZINC000761766668 884196533 /nfs/dbraw/zinc/19/65/33/884196533.db2.gz UFRCFBRLKYAHHF-QGZVFWFLSA-N 1 2 380.473 3.676 20 30 GHEDLO CCCCc1ccc(N2C(=O)C[C@H]([N@H+](C)Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000914794690 884830891 /nfs/dbraw/zinc/83/08/91/884830891.db2.gz YTXIFRIJQUIEJE-NRFANRHFSA-N 1 2 375.472 3.665 20 30 GHEDLO CCCCc1ccc(N2C(=O)C[C@H]([N@@H+](C)Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000914794690 884830910 /nfs/dbraw/zinc/83/09/10/884830910.db2.gz YTXIFRIJQUIEJE-NRFANRHFSA-N 1 2 375.472 3.665 20 30 GHEDLO CCc1ccc([C@@H]([NH2+]Cc2ccc(C#N)o2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000537500842 884869888 /nfs/dbraw/zinc/86/98/88/884869888.db2.gz UTJPHYZQLXYEQP-JOCHJYFZSA-N 1 2 394.496 3.996 20 30 GHEDLO N#CC(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1)c1ccncn1 ZINC000860655906 884887282 /nfs/dbraw/zinc/88/72/82/884887282.db2.gz CEMMCIHBQNXFQZ-GUDVDZBRSA-N 1 2 388.496 3.630 20 30 GHEDLO N#CC(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1)c1ccncn1 ZINC000860655906 884887292 /nfs/dbraw/zinc/88/72/92/884887292.db2.gz CEMMCIHBQNXFQZ-GUDVDZBRSA-N 1 2 388.496 3.630 20 30 GHEDLO N#C[C@@H](C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1)c1ccncn1 ZINC000860655906 884887301 /nfs/dbraw/zinc/88/73/01/884887301.db2.gz CEMMCIHBQNXFQZ-GUDVDZBRSA-N 1 2 388.496 3.630 20 30 GHEDLO N#C[C@@H](C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1)c1ccncn1 ZINC000860655906 884887305 /nfs/dbraw/zinc/88/73/05/884887305.db2.gz CEMMCIHBQNXFQZ-GUDVDZBRSA-N 1 2 388.496 3.630 20 30 GHEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000537561889 885418919 /nfs/dbraw/zinc/41/89/19/885418919.db2.gz PDGXVPUJLCNKBJ-MJGOQNOKSA-N 1 2 387.572 3.845 20 30 GHEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000537561889 885418926 /nfs/dbraw/zinc/41/89/26/885418926.db2.gz PDGXVPUJLCNKBJ-MJGOQNOKSA-N 1 2 387.572 3.845 20 30 GHEDLO N#Cc1ccc(C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C2CC2)cc1 ZINC000194959609 885994547 /nfs/dbraw/zinc/99/45/47/885994547.db2.gz NQMAWEXKZYFVMD-UHFFFAOYSA-N 1 2 375.388 3.681 20 30 GHEDLO N#Cc1ccc(C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C2CC2)cc1 ZINC000194959609 885994552 /nfs/dbraw/zinc/99/45/52/885994552.db2.gz NQMAWEXKZYFVMD-UHFFFAOYSA-N 1 2 375.388 3.681 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000108532769 886082344 /nfs/dbraw/zinc/08/23/44/886082344.db2.gz PANUUFJWACFHBL-HNNXBMFYSA-N 1 2 383.521 3.835 20 30 GHEDLO COc1cccc(OCC[NH+]2CCN(Cc3ccccc3C(C)(C)C#N)CC2)c1 ZINC001168318115 886136487 /nfs/dbraw/zinc/13/64/87/886136487.db2.gz YUOZETQGIHLAQH-UHFFFAOYSA-N 1 2 393.531 3.693 20 30 GHEDLO CC(=[NH+]Nc1nc2ccccc2[nH]c1=S)c1cccc(N2CCOCC2)c1 ZINC000863127980 886883499 /nfs/dbraw/zinc/88/34/99/886883499.db2.gz CEPCINVFKPTCMT-UHFFFAOYSA-N 1 2 379.489 3.965 20 30 GHEDLO CN(C)c1ccc(C=[NH+]Nc2ccc(S(C)(=O)=O)cc2)c(C(F)(F)F)c1 ZINC000794492280 886902957 /nfs/dbraw/zinc/90/29/57/886902957.db2.gz LJORDUUCFVJHLB-UHFFFAOYSA-N 1 2 385.411 3.621 20 30 GHEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 ZINC000125944446 886916039 /nfs/dbraw/zinc/91/60/39/886916039.db2.gz ULPNRRROTAHZBY-FQEVSTJZSA-N 1 2 399.498 3.702 20 30 GHEDLO N#Cc1cncc(CSc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2)c1 ZINC000915507207 887125676 /nfs/dbraw/zinc/12/56/76/887125676.db2.gz CVLFVNDSCZUDHF-UHFFFAOYSA-N 1 2 390.516 3.812 20 30 GHEDLO C#CCOc1ccccc1-c1noc([C@H](c2ccccc2)[NH+]2CCSCC2)n1 ZINC000809395352 887395192 /nfs/dbraw/zinc/39/51/92/887395192.db2.gz KLKWOTGJPCVEEL-FQEVSTJZSA-N 1 2 391.496 3.887 20 30 GHEDLO N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000131318195 887534213 /nfs/dbraw/zinc/53/42/13/887534213.db2.gz IDVJJQMORKQOIP-SFHVURJKSA-N 1 2 386.455 3.729 20 30 GHEDLO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000465515137 888222702 /nfs/dbraw/zinc/22/27/02/888222702.db2.gz FJZSCJXJNBDMSZ-DHIUTWEWSA-N 1 2 399.498 3.913 20 30 GHEDLO Cc1oc(NC(=O)C[N@@H+](C)Cc2cccc(Br)c2)c(C#N)c1C ZINC000532930546 889308025 /nfs/dbraw/zinc/30/80/25/889308025.db2.gz AHTDVAQFWSHHSE-UHFFFAOYSA-N 1 2 376.254 3.601 20 30 GHEDLO Cc1oc(NC(=O)C[N@H+](C)Cc2cccc(Br)c2)c(C#N)c1C ZINC000532930546 889308039 /nfs/dbraw/zinc/30/80/39/889308039.db2.gz AHTDVAQFWSHHSE-UHFFFAOYSA-N 1 2 376.254 3.601 20 30 GHEDLO C=CCn1c(=S)n(CN2CCn3c[nH+]cc3C2)nc1-c1cccc(Cl)c1 ZINC000811787335 889999362 /nfs/dbraw/zinc/99/93/62/889999362.db2.gz JFJWTOLFMLKSTC-UHFFFAOYSA-N 1 2 386.912 3.590 20 30 GHEDLO CN(C)S(=O)(=O)c1ccc(N[NH+]=CC=C2N(C)c3ccccc3C2(C)C)cc1 ZINC000812231656 890424091 /nfs/dbraw/zinc/42/40/91/890424091.db2.gz YLXMOZZQIQJRGT-ZFQGXMPGSA-N 1 2 398.532 3.646 20 30 GHEDLO CC(C)OC1CC[NH+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000533475551 890646059 /nfs/dbraw/zinc/64/60/59/890646059.db2.gz ITIBRKZXKUFWJF-INIZCTEOSA-N 1 2 375.538 3.909 20 30 GHEDLO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)ccc1OC ZINC000813859029 892029795 /nfs/dbraw/zinc/02/97/95/892029795.db2.gz FIEVFGZARZQEFM-FXAWDEMLSA-N 1 2 383.496 3.905 20 30 GHEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](OC(F)F)C2)ccc1Cl ZINC000611579360 892258832 /nfs/dbraw/zinc/25/88/32/892258832.db2.gz VQZKIHOVEROKKI-HNNXBMFYSA-N 1 2 385.842 3.599 20 30 GHEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H](OC(F)F)C2)ccc1Cl ZINC000611579360 892258849 /nfs/dbraw/zinc/25/88/49/892258849.db2.gz VQZKIHOVEROKKI-HNNXBMFYSA-N 1 2 385.842 3.599 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[NH+](Cc2ccsc2)CC1 ZINC000533817842 893164245 /nfs/dbraw/zinc/16/42/45/893164245.db2.gz KXNPKKMKUOOLOS-KRWDZBQOSA-N 1 2 389.590 3.531 20 30 GHEDLO C[N@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)Cc1cc(C#N)cs1 ZINC000933777434 893212958 /nfs/dbraw/zinc/21/29/58/893212958.db2.gz SKNTYIUINDLKDS-UHFFFAOYSA-N 1 2 390.512 3.849 20 30 GHEDLO C[N@@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)Cc1cc(C#N)cs1 ZINC000933777434 893212979 /nfs/dbraw/zinc/21/29/79/893212979.db2.gz SKNTYIUINDLKDS-UHFFFAOYSA-N 1 2 390.512 3.849 20 30 GHEDLO CC(C)(C)Oc1ccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1C#N ZINC000455761836 893225037 /nfs/dbraw/zinc/22/50/37/893225037.db2.gz ACASJARQWRAESR-KRWDZBQOSA-N 1 2 379.464 3.531 20 30 GHEDLO C[N@@H+](Cc1cc(C#N)cnc1Cl)C[C@H](O)c1ccccc1Br ZINC000877577095 893699753 /nfs/dbraw/zinc/69/97/53/893699753.db2.gz TZOZBTULQLMPIR-HNNXBMFYSA-N 1 2 380.673 3.535 20 30 GHEDLO C[N@H+](Cc1cc(C#N)cnc1Cl)C[C@H](O)c1ccccc1Br ZINC000877577095 893699760 /nfs/dbraw/zinc/69/97/60/893699760.db2.gz TZOZBTULQLMPIR-HNNXBMFYSA-N 1 2 380.673 3.535 20 30 GHEDLO Cn1nc(C(F)(F)F)c(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)c1Cl ZINC000879024381 894790624 /nfs/dbraw/zinc/79/06/24/894790624.db2.gz VPFJXOSWHVBGPQ-UHFFFAOYSA-N 1 2 383.805 3.739 20 30 GHEDLO N#CCn1c(C[N@@H+]2CCCSC[C@H]2c2ccccc2)nc2ccccc2c1=O ZINC000880389687 895681748 /nfs/dbraw/zinc/68/17/48/895681748.db2.gz XRHXGEGBZZOALK-FQEVSTJZSA-N 1 2 390.512 3.600 20 30 GHEDLO N#CCn1c(C[N@H+]2CCCSC[C@H]2c2ccccc2)nc2ccccc2c1=O ZINC000880389687 895681755 /nfs/dbraw/zinc/68/17/55/895681755.db2.gz XRHXGEGBZZOALK-FQEVSTJZSA-N 1 2 390.512 3.600 20 30 GHEDLO C[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000566300292 896225065 /nfs/dbraw/zinc/22/50/65/896225065.db2.gz FZYXAGRFXDBEKP-ZWKOTPCHSA-N 1 2 392.242 3.863 20 30 GHEDLO C[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000566300292 896225076 /nfs/dbraw/zinc/22/50/76/896225076.db2.gz FZYXAGRFXDBEKP-ZWKOTPCHSA-N 1 2 392.242 3.863 20 30 GHEDLO CC(C)c1ccc(N2Cc3ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc3C2)cc1 ZINC000819465581 896777946 /nfs/dbraw/zinc/77/79/46/896777946.db2.gz AGEJBEYYTUTBFT-DEOSSOPVSA-N 1 2 392.547 3.948 20 30 GHEDLO CC(C)c1ccc(N2Cc3ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc3C2)cc1 ZINC000819465581 896777955 /nfs/dbraw/zinc/77/79/55/896777955.db2.gz AGEJBEYYTUTBFT-DEOSSOPVSA-N 1 2 392.547 3.948 20 30 GHEDLO CC(C)c1ccc(N2Cc3ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc3C2)cc1 ZINC000819465582 896778143 /nfs/dbraw/zinc/77/81/43/896778143.db2.gz AGEJBEYYTUTBFT-XMMPIXPASA-N 1 2 392.547 3.948 20 30 GHEDLO CC(C)c1ccc(N2Cc3ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc3C2)cc1 ZINC000819465582 896778151 /nfs/dbraw/zinc/77/81/51/896778151.db2.gz AGEJBEYYTUTBFT-XMMPIXPASA-N 1 2 392.547 3.948 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)c(C(F)(F)F)c1 ZINC000567495785 897202222 /nfs/dbraw/zinc/20/22/22/897202222.db2.gz ZJRQTTACVRINCD-IBGZPJMESA-N 1 2 387.405 3.510 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)c(C(F)(F)F)c1 ZINC000567495785 897202237 /nfs/dbraw/zinc/20/22/37/897202237.db2.gz ZJRQTTACVRINCD-IBGZPJMESA-N 1 2 387.405 3.510 20 30 GHEDLO Cc1ccc(C(=O)/C=C/C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cc1 ZINC001136321642 897263713 /nfs/dbraw/zinc/26/37/13/897263713.db2.gz IGHVQZWFCYFACP-CMDGGOBGSA-N 1 2 398.453 3.793 20 30 GHEDLO C#CCCCOc1ccc[nH+]c1NCc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000820639755 897435165 /nfs/dbraw/zinc/43/51/65/897435165.db2.gz LWGYDHDYEBCPDP-FQEVSTJZSA-N 1 2 379.460 3.603 20 30 GHEDLO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000805784091 898287873 /nfs/dbraw/zinc/28/78/73/898287873.db2.gz FJUPXVBGOZMHIO-YADHBBJMSA-N 1 2 386.499 3.638 20 30 GHEDLO CCCCOC(=O)N1CCN(c2[nH+]cccc2NC2=CC[C@H](C#N)CC2)CC1 ZINC001212857915 899101056 /nfs/dbraw/zinc/10/10/56/899101056.db2.gz VAPWHDRTWIRZRT-KRWDZBQOSA-N 1 2 383.496 3.760 20 30 GHEDLO CCc1ccc(C[NH+]2CCN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)CC2)s1 ZINC001136854856 899527814 /nfs/dbraw/zinc/52/78/14/899527814.db2.gz MIBCSHLZUUYYCS-UHFFFAOYSA-N 1 2 397.544 3.684 20 30 GHEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000119121597 899541908 /nfs/dbraw/zinc/54/19/08/899541908.db2.gz VJNBMAFCUBOYTH-UHFFFAOYSA-N 1 2 393.491 3.541 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000119914264 899703702 /nfs/dbraw/zinc/70/37/02/899703702.db2.gz ZPEHLELBFUODHF-JKSUJKDBSA-N 1 2 381.505 3.734 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000119939684 899707834 /nfs/dbraw/zinc/70/78/34/899707834.db2.gz GXLXBBUZSZNDPU-HZPDHXFCSA-N 1 2 381.505 3.876 20 30 GHEDLO CC(C)c1ccc([C@@H]2CCC[N@@H+]2CCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000571239952 899793559 /nfs/dbraw/zinc/79/35/59/899793559.db2.gz KFFKBXVWIVHLAZ-FQEVSTJZSA-N 1 2 383.517 3.687 20 30 GHEDLO CC(C)c1ccc([C@@H]2CCC[N@H+]2CCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000571239952 899793568 /nfs/dbraw/zinc/79/35/68/899793568.db2.gz KFFKBXVWIVHLAZ-FQEVSTJZSA-N 1 2 383.517 3.687 20 30 GHEDLO N#C[C@H](NC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC001186307350 914459472 /nfs/dbraw/zinc/45/94/72/914459472.db2.gz XTMYFPBRKTYCSJ-BJKOFHAPSA-N 1 2 381.479 3.995 20 30 GHEDLO N#C[C@H](NC(=O)[C@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1)c1ccccc1 ZINC001186307350 914459477 /nfs/dbraw/zinc/45/94/77/914459477.db2.gz XTMYFPBRKTYCSJ-BJKOFHAPSA-N 1 2 381.479 3.995 20 30 GHEDLO COc1ccc(OC(F)(F)F)cc1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC001143996714 900902295 /nfs/dbraw/zinc/90/22/95/900902295.db2.gz SEKHXVUCTOWKRS-UHFFFAOYSA-N 1 2 391.393 3.788 20 30 GHEDLO C=CC[C@H](C)C(=O)N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@H+]2CC ZINC001144015497 900927555 /nfs/dbraw/zinc/92/75/55/900927555.db2.gz WWEIAXCRBKRJLE-IBGZPJMESA-N 1 2 392.547 3.916 20 30 GHEDLO C=CC[C@H](C)C(=O)N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@@H+]2CC ZINC001144015497 900927563 /nfs/dbraw/zinc/92/75/63/900927563.db2.gz WWEIAXCRBKRJLE-IBGZPJMESA-N 1 2 392.547 3.916 20 30 GHEDLO Cc1nc(C2CC[NH+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3)CC2)[nH]c1C ZINC000886664360 901213816 /nfs/dbraw/zinc/21/38/16/901213816.db2.gz KBSAWXUIQVPKRO-SFHVURJKSA-N 1 2 379.508 3.541 20 30 GHEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3csc(Cc4ccccc4)n3)C2)nc1 ZINC000575856825 901395380 /nfs/dbraw/zinc/39/53/80/901395380.db2.gz FPWKKZDQICMOQZ-LJQANCHMSA-N 1 2 376.485 3.654 20 30 GHEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3csc(Cc4ccccc4)n3)C2)nc1 ZINC000575856825 901395482 /nfs/dbraw/zinc/39/54/82/901395482.db2.gz FPWKKZDQICMOQZ-LJQANCHMSA-N 1 2 376.485 3.654 20 30 GHEDLO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H](Cc1ccc(O)cc1)C(=O)OC(C)(C)C ZINC001171183260 902176371 /nfs/dbraw/zinc/17/63/71/902176371.db2.gz CADRNNOIOZNPDF-IERDGZPVSA-N 1 2 380.488 3.737 20 30 GHEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1cccc(Oc2ccnc3ccccc32)c1 ZINC000576698104 902200181 /nfs/dbraw/zinc/20/01/81/902200181.db2.gz SMWBUFSXYBVYOC-SFHVURJKSA-N 1 2 376.460 3.645 20 30 GHEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1cccc(Oc2ccnc3ccccc32)c1 ZINC000576698104 902200194 /nfs/dbraw/zinc/20/01/94/902200194.db2.gz SMWBUFSXYBVYOC-SFHVURJKSA-N 1 2 376.460 3.645 20 30 GHEDLO N#Cc1cnc2c(Cl)cccc2c1N1CCC[N@H+](Cc2cscn2)CC1 ZINC000578188828 903597740 /nfs/dbraw/zinc/59/77/40/903597740.db2.gz RQHVROBMRZAPDQ-UHFFFAOYSA-N 1 2 383.908 3.929 20 30 GHEDLO N#Cc1cnc2c(Cl)cccc2c1N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000578188828 903597749 /nfs/dbraw/zinc/59/77/49/903597749.db2.gz RQHVROBMRZAPDQ-UHFFFAOYSA-N 1 2 383.908 3.929 20 30 GHEDLO C=CCc1c(F)c(F)c(C(=O)NCCSCc2[nH]c[nH+]c2C)c(F)c1F ZINC001186737671 914754861 /nfs/dbraw/zinc/75/48/61/914754861.db2.gz PAIKCKLHCQQIKG-UHFFFAOYSA-N 1 2 387.402 3.666 20 30 GHEDLO N#Cc1ccc(C2(NC(=O)N[C@@H](Cn3cc[nH+]c3)c3ccccc3)CCC2)cc1 ZINC000890244206 904954156 /nfs/dbraw/zinc/95/41/56/904954156.db2.gz BQODKZXXBZRYOX-NRFANRHFSA-N 1 2 385.471 3.875 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000188914011 905005981 /nfs/dbraw/zinc/00/59/81/905005981.db2.gz RBFMZLYGUGCKAO-UXHICEINSA-N 1 2 397.881 3.944 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000188914011 905006002 /nfs/dbraw/zinc/00/60/02/905006002.db2.gz RBFMZLYGUGCKAO-UXHICEINSA-N 1 2 397.881 3.944 20 30 GHEDLO C=C[C@@H]1C[C@@]1([NH2+]C1CCN(c2ccc(Br)cc2)CC1)C(=O)OCC ZINC001171992658 905204418 /nfs/dbraw/zinc/20/44/18/905204418.db2.gz NLASNPBAOQVOCM-KUHUBIRLSA-N 1 2 393.325 3.515 20 30 GHEDLO COC(=O)C1C/C(=C/c2cncn2C(C)C)C(=O)/C(=C\c2c[nH+]cn2C(C)C)C1 ZINC000901501427 921177198 /nfs/dbraw/zinc/17/71/98/921177198.db2.gz WDKMIEHEVIXRPM-JCDHFMOQSA-N 1 2 396.491 3.861 20 30 GHEDLO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]CC(F)(F)C(F)(F)F)CC2)c(F)c1 ZINC001173005427 906080053 /nfs/dbraw/zinc/08/00/53/906080053.db2.gz GGYDVFZGVQNCBW-UHFFFAOYSA-N 1 2 389.271 3.629 20 30 GHEDLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000179884650 906626833 /nfs/dbraw/zinc/62/68/33/906626833.db2.gz GVYLKUNKVAWIAJ-UHFFFAOYSA-N 1 2 387.487 3.646 20 30 GHEDLO Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000179884650 906626842 /nfs/dbraw/zinc/62/68/42/906626842.db2.gz GVYLKUNKVAWIAJ-UHFFFAOYSA-N 1 2 387.487 3.646 20 30 GHEDLO CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3cc(F)ccc3C#N)c[nH+]2)CC1 ZINC001174454443 907060928 /nfs/dbraw/zinc/06/09/28/907060928.db2.gz ITTFUSKTVNNNFK-UHFFFAOYSA-N 1 2 397.454 3.893 20 30 GHEDLO N#Cc1ccc(C[C@H](C#N)C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)cc1 ZINC000366341004 921517302 /nfs/dbraw/zinc/51/73/02/921517302.db2.gz QURYVHAFGSFUBP-HXUWFJFHSA-N 1 2 393.450 3.794 20 30 GHEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2ccc3ccc(F)c(F)c3n2)CC1 ZINC001180271877 910054560 /nfs/dbraw/zinc/05/45/60/910054560.db2.gz UIJMYRUZRPYRBN-UHFFFAOYSA-N 1 2 382.389 3.846 20 30 GHEDLO CCCCCCC[C@@H](O)CC(=O)N1CC2(CC[N@@H+]2CCCC(F)(F)F)C1 ZINC001274534477 910665306 /nfs/dbraw/zinc/66/53/06/910665306.db2.gz NJWVVBKUCXNUPB-MRXNPFEDSA-N 1 2 378.479 3.727 20 30 GHEDLO CCCCCCC[C@@H](O)CC(=O)N1CC2(CC[N@H+]2CCCC(F)(F)F)C1 ZINC001274534477 910665316 /nfs/dbraw/zinc/66/53/16/910665316.db2.gz NJWVVBKUCXNUPB-MRXNPFEDSA-N 1 2 378.479 3.727 20 30 GHEDLO N#CCOc1ccc(Cl)cc1C[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000773977976 911189514 /nfs/dbraw/zinc/18/95/14/911189514.db2.gz ZGRIYUTWHSKBBC-UHFFFAOYSA-N 1 2 375.831 3.820 20 30 GHEDLO C=C(C)Cc1ccc(C(=O)NCCSCc2csc(C[NH+](C)C)n2)cc1 ZINC001190232745 917189145 /nfs/dbraw/zinc/18/91/45/917189145.db2.gz HBCFSPMYALRXTC-UHFFFAOYSA-N 1 2 389.590 3.987 20 30 GHEDLO C=C(C)Cc1ccc(C(=O)N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)cc1 ZINC001190215868 917201800 /nfs/dbraw/zinc/20/18/00/917201800.db2.gz CXUXPLWAOVWKMK-HXUWFJFHSA-N 1 2 379.504 3.701 20 30 GHEDLO COC(=O)c1ccc(N2CC[N@H+](Cc3cc(Cl)cc(C#N)c3)[C@H](C)C2)cc1 ZINC001190778943 917559712 /nfs/dbraw/zinc/55/97/12/917559712.db2.gz CCNCDHXJNWSIQP-OAHLLOKOSA-N 1 2 383.879 3.709 20 30 GHEDLO COC(=O)c1ccc(N2CC[N@@H+](Cc3cc(Cl)cc(C#N)c3)[C@H](C)C2)cc1 ZINC001190778943 917559718 /nfs/dbraw/zinc/55/97/18/917559718.db2.gz CCNCDHXJNWSIQP-OAHLLOKOSA-N 1 2 383.879 3.709 20 30 GHEDLO N#Cc1ccc(C[NH2+][C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)o1 ZINC000363053645 917689557 /nfs/dbraw/zinc/68/95/57/917689557.db2.gz MRIJOGCJFPSFPR-QGZVFWFLSA-N 1 2 377.366 3.623 20 30 GHEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(C(=O)c2cccs2)CC1 ZINC000363642944 918582625 /nfs/dbraw/zinc/58/26/25/918582625.db2.gz HRGOUXQZYQHNOS-KRWDZBQOSA-N 1 2 395.528 3.978 20 30 GHEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(Cl)cc1Br ZINC001275903471 919437887 /nfs/dbraw/zinc/43/78/87/919437887.db2.gz XFGFAUUCWOFOMF-GOSISDBHSA-N 1 2 395.728 3.693 20 30 GHEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(Cl)cc1Br ZINC001275903471 919437899 /nfs/dbraw/zinc/43/78/99/919437899.db2.gz XFGFAUUCWOFOMF-GOSISDBHSA-N 1 2 395.728 3.693 20 30 GHEDLO C=CCN(CC=C)C(=O)[C@@H](C)Sc1nnc([C@H](CC)[NH+](C)C)n1CCCC ZINC000298163587 920266329 /nfs/dbraw/zinc/26/63/29/920266329.db2.gz UVJOTMGHXSEYQB-SJORKVTESA-N 1 2 393.601 3.772 20 30 GHEDLO Cc1nc(C2([NH2+]CCC(=O)Nc3sc4c(c3C#N)CCC4)CCCCC2)no1 ZINC000298573524 920681502 /nfs/dbraw/zinc/68/15/02/920681502.db2.gz JCMAQDGEVVMWBF-UHFFFAOYSA-N 1 2 399.520 3.578 20 30 GHEDLO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000900905382 920701855 /nfs/dbraw/zinc/70/18/55/920701855.db2.gz SICFQIADGUBVOA-DHIUTWEWSA-N 1 2 399.498 3.907 20 30 GHEDLO Cc1noc(C)c1CO[C@H]1CC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000368461960 922688544 /nfs/dbraw/zinc/68/85/44/922688544.db2.gz LGRPOOPGNMPJOM-INIZCTEOSA-N 1 2 390.281 3.717 20 30 GHEDLO Cc1noc(C)c1CO[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000368461960 922688565 /nfs/dbraw/zinc/68/85/65/922688565.db2.gz LGRPOOPGNMPJOM-INIZCTEOSA-N 1 2 390.281 3.717 20 30 GHEDLO Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000903263343 922889843 /nfs/dbraw/zinc/88/98/43/922889843.db2.gz MIWXXAJXYYUACT-LBPRGKRZSA-N 1 2 387.509 3.594 20 30 GHEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3sccc3Br)C2)CC1 ZINC001139309260 923877522 /nfs/dbraw/zinc/87/75/22/923877522.db2.gz NJSNGPRVYRJYAL-UHFFFAOYSA-N 1 2 385.327 3.731 20 30 GHEDLO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000373742511 926382352 /nfs/dbraw/zinc/38/23/52/926382352.db2.gz PXFZVNGGYILVNX-IBGZPJMESA-N 1 2 386.455 3.843 20 30 GHEDLO N#Cc1ccc(Cc2cnc(NC(=O)N3CCC(c4c[nH]c[nH+]4)CC3)s2)cc1 ZINC000374198206 926889974 /nfs/dbraw/zinc/88/99/74/926889974.db2.gz LLHFNIHGUHBTBP-UHFFFAOYSA-N 1 2 392.488 3.740 20 30 GHEDLO N#Cc1ccc(Cc2cnc(NC(=O)N3CCC(c4c[nH+]c[nH]4)CC3)s2)cc1 ZINC000374198206 926889999 /nfs/dbraw/zinc/88/99/99/926889999.db2.gz LLHFNIHGUHBTBP-UHFFFAOYSA-N 1 2 392.488 3.740 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411949963 926938467 /nfs/dbraw/zinc/93/84/67/926938467.db2.gz QTFFUNXTWTYVLN-POAQFYNOSA-N 1 2 395.528 3.827 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411949963 926938474 /nfs/dbraw/zinc/93/84/74/926938474.db2.gz QTFFUNXTWTYVLN-POAQFYNOSA-N 1 2 395.528 3.827 20 30 GHEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)nc1-c1cccs1 ZINC000749802433 927282165 /nfs/dbraw/zinc/28/21/65/927282165.db2.gz XJSUJHREYMUCPN-GJZGRUSLSA-N 1 2 376.551 3.644 20 30 GHEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)nc1-c1cccs1 ZINC000749802433 927282179 /nfs/dbraw/zinc/28/21/79/927282179.db2.gz XJSUJHREYMUCPN-GJZGRUSLSA-N 1 2 376.551 3.644 20 30 GHEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)C(C)(C)[C@H]1c1ccccc1 ZINC000749946291 927363983 /nfs/dbraw/zinc/36/39/83/927363983.db2.gz AHTNHIZSUMHVQL-OAQYLSRUSA-N 1 2 377.488 3.574 20 30 GHEDLO COCC[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)C(C)(C)[C@H]1c1ccccc1 ZINC000749946291 927363993 /nfs/dbraw/zinc/36/39/93/927363993.db2.gz AHTNHIZSUMHVQL-OAQYLSRUSA-N 1 2 377.488 3.574 20 30 GHEDLO Cn1cc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)c(C2CCCCC2)n1 ZINC000544349237 929080175 /nfs/dbraw/zinc/08/01/75/929080175.db2.gz VJYYAYUJELCHFW-UHFFFAOYSA-N 1 2 377.536 3.657 20 30 GHEDLO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C=NNC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753928469 929596571 /nfs/dbraw/zinc/59/65/71/929596571.db2.gz KPERAMJBZOSECS-HOTGVXAUSA-N 1 2 391.306 3.681 20 30 GHEDLO COc1cc(OC)cc(Oc2ccc(C=NNC3=[NH+][C@H]4CCCC[C@H]4N3)cc2)c1 ZINC000753929760 929598058 /nfs/dbraw/zinc/59/80/58/929598058.db2.gz RWSHAQFQGDCJNB-OYRHEFFESA-N 1 2 394.475 3.690 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCOCC2(CCC2)C1 ZINC000546104164 929856528 /nfs/dbraw/zinc/85/65/28/929856528.db2.gz MNSKCAWGGVZSFX-OAHLLOKOSA-N 1 2 387.549 3.718 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCOCC2(CCC2)C1 ZINC000546104164 929856529 /nfs/dbraw/zinc/85/65/29/929856529.db2.gz MNSKCAWGGVZSFX-OAHLLOKOSA-N 1 2 387.549 3.718 20 30 GHEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H](Oc1ccccc1C#N)C(C)C ZINC000469938681 930268269 /nfs/dbraw/zinc/26/82/69/930268269.db2.gz LKFZXULRASKERP-OAQYLSRUSA-N 1 2 382.508 3.659 20 30 GHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ccc(C#N)cc1OC ZINC000547414413 930994004 /nfs/dbraw/zinc/99/40/04/930994004.db2.gz CETYMYOMFUHZKQ-UHFFFAOYSA-N 1 2 393.491 3.732 20 30 GHEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)nc1-c1cccnc1 ZINC000782288708 931158391 /nfs/dbraw/zinc/15/83/91/931158391.db2.gz DTRHFZYRMSUWQU-SFHVURJKSA-N 1 2 392.532 3.579 20 30 GHEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)nc1-c1cccnc1 ZINC000782288708 931158399 /nfs/dbraw/zinc/15/83/99/931158399.db2.gz DTRHFZYRMSUWQU-SFHVURJKSA-N 1 2 392.532 3.579 20 30 GHEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)nc1-c1ccncc1 ZINC000782287151 931158672 /nfs/dbraw/zinc/15/86/72/931158672.db2.gz FESGOWWSRCTRBI-GOSISDBHSA-N 1 2 392.532 3.579 20 30 GHEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@H](Cc3ccncc3)C2)nc1-c1ccncc1 ZINC000782287151 931158676 /nfs/dbraw/zinc/15/86/76/931158676.db2.gz FESGOWWSRCTRBI-GOSISDBHSA-N 1 2 392.532 3.579 20 30 GHEDLO COc1c[nH+]c(N[C@@H](C)c2ccc(C#N)cc2)nc1N[C@H](C)c1ccc(C#N)cc1 ZINC000557519263 931515084 /nfs/dbraw/zinc/51/50/84/931515084.db2.gz HNENVXYEXAIXLT-CVEARBPZSA-N 1 2 398.470 3.997 20 30 GHEDLO O=C(/C=C/c1cc(-n2cc[nH+]c2)cs1)c1c(F)cccc1N1CCOCC1 ZINC000783710719 931625203 /nfs/dbraw/zinc/62/52/03/931625203.db2.gz MKJYWNXKQQFOHY-SNAWJCMRSA-N 1 2 383.448 3.806 20 30 GHEDLO Cc1cc(Br)cn2c(CN=Nc3ncnc4sccc43)c[nH+]c12 ZINC000783815721 931666428 /nfs/dbraw/zinc/66/64/28/931666428.db2.gz FJVVZBIAMMMDOR-UHFFFAOYSA-N 1 2 387.266 3.856 20 30 GHEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H](N(C)c3ccc(C)cc3)C2)c(C#N)c1C ZINC000784381565 931875764 /nfs/dbraw/zinc/87/57/64/931875764.db2.gz SVYYXPVCUMZLFQ-LJQANCHMSA-N 1 2 380.492 3.616 20 30 GHEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H](N(C)c3ccc(C)cc3)C2)c(C#N)c1C ZINC000784381565 931875766 /nfs/dbraw/zinc/87/57/66/931875766.db2.gz SVYYXPVCUMZLFQ-LJQANCHMSA-N 1 2 380.492 3.616 20 30 GHEDLO CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)c1cccc(C#N)c1O ZINC000926420298 932172853 /nfs/dbraw/zinc/17/28/53/932172853.db2.gz CUPDXWZTCCLANX-GDBMZVCRSA-N 1 2 383.414 3.638 20 30 GHEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000798275739 932588382 /nfs/dbraw/zinc/58/83/82/932588382.db2.gz UDJRPWRQSXDQEG-UYAOXDASSA-N 1 2 384.524 3.526 20 30 GHEDLO N#Cc1c2c(sc1NC(=O)C[N@@H+]1CC[C@H](c3ccccn3)C1)CCCCC2 ZINC000799191101 932908295 /nfs/dbraw/zinc/90/82/95/932908295.db2.gz WPTYGDLUDIILAQ-HNNXBMFYSA-N 1 2 380.517 3.712 20 30 GHEDLO N#Cc1c2c(sc1NC(=O)C[N@H+]1CC[C@H](c3ccccn3)C1)CCCCC2 ZINC000799191101 932908300 /nfs/dbraw/zinc/90/83/00/932908300.db2.gz WPTYGDLUDIILAQ-HNNXBMFYSA-N 1 2 380.517 3.712 20 30 GHEDLO C#Cc1cccc(NC(=O)N2CC[N@@H+](Cc3ccccc3OCC)C[C@@H]2C)c1 ZINC000799384273 932982522 /nfs/dbraw/zinc/98/25/22/932982522.db2.gz XMRUAZPUXWQCSA-SFHVURJKSA-N 1 2 377.488 3.805 20 30 GHEDLO C#Cc1cccc(NC(=O)N2CC[N@H+](Cc3ccccc3OCC)C[C@@H]2C)c1 ZINC000799384273 932982525 /nfs/dbraw/zinc/98/25/25/932982525.db2.gz XMRUAZPUXWQCSA-SFHVURJKSA-N 1 2 377.488 3.805 20 30 GHEDLO COc1ccc(C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)cc1C#N ZINC001118906175 934279654 /nfs/dbraw/zinc/27/96/54/934279654.db2.gz KZBSUGLHKPNAGQ-IEBWSBKVSA-N 1 2 387.277 3.637 20 30 GHEDLO COc1ccc(C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)cc1C#N ZINC001118906175 934279665 /nfs/dbraw/zinc/27/96/65/934279665.db2.gz KZBSUGLHKPNAGQ-IEBWSBKVSA-N 1 2 387.277 3.637 20 30 GHEDLO C=CCOc1ccc(CNC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cc1 ZINC000561875627 934527256 /nfs/dbraw/zinc/52/72/56/934527256.db2.gz LYXZNHOUFFIIJX-QGZVFWFLSA-N 1 2 385.533 3.901 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC(OCC)CC1 ZINC001121683044 934737500 /nfs/dbraw/zinc/73/75/00/934737500.db2.gz ZSKWARMYZSRHCR-SFHVURJKSA-N 1 2 383.540 3.662 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC(OCC)CC1 ZINC001121683044 934737504 /nfs/dbraw/zinc/73/75/04/934737504.db2.gz ZSKWARMYZSRHCR-SFHVURJKSA-N 1 2 383.540 3.662 20 30 GHEDLO CCS[C@H]1CC[C@@H](N(C)c2nnc(C3CC[NH+](CCC#N)CC3)n2CC)C1 ZINC001121800987 934767941 /nfs/dbraw/zinc/76/79/41/934767941.db2.gz MGSFSOYGVCLGNN-MSOLQXFVSA-N 1 2 390.601 3.501 20 30 GHEDLO CCS[C@@H]1CC[C@H](N(C)c2nnc(C3CC[NH+](CCC#N)CC3)n2CC)C1 ZINC001121800993 934767962 /nfs/dbraw/zinc/76/79/62/934767962.db2.gz MGSFSOYGVCLGNN-ZWKOTPCHSA-N 1 2 390.601 3.501 20 30 GHEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)Cc1ccccc1F ZINC001122529456 934890711 /nfs/dbraw/zinc/89/07/11/934890711.db2.gz CUIAHGYGPUDSMO-UHFFFAOYSA-N 1 2 396.514 3.723 20 30 GHEDLO CC(C)C[C@@H]1CCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CC2CC2)C1 ZINC001123633586 935242742 /nfs/dbraw/zinc/24/27/42/935242742.db2.gz UUIKHIXAHOXJHY-IBGZPJMESA-N 1 2 384.572 3.654 20 30 GHEDLO Cc1cc(C#N)cc(C)c1CC(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC001137605691 935620603 /nfs/dbraw/zinc/62/06/03/935620603.db2.gz BBOHXQPIIDMGFR-UHFFFAOYSA-N 1 2 376.504 3.809 20 30 GHEDLO COC(=O)C1(C#N)CCN(c2cc(C)[nH+]c3c(OC(F)(F)F)cccc23)CC1 ZINC000828969645 935748194 /nfs/dbraw/zinc/74/81/94/935748194.db2.gz NSIULVRWVJEBND-UHFFFAOYSA-N 1 2 393.365 3.725 20 30 GHEDLO Cc1c(Cl)c(C[NH+]2CCN(c3cccc(C#N)n3)CC2)nc2ccccc12 ZINC000545503461 1015957102 /nfs/dbraw/zinc/95/71/02/1015957102.db2.gz ZDDDVFYZOQOKDP-UHFFFAOYSA-N 1 2 377.879 3.786 20 30 GHEDLO CCCCCCCCCNC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC001221029759 1032243410 /nfs/dbraw/zinc/24/34/10/1032243410.db2.gz NVWASXYBWOLRQE-GOSISDBHSA-N 1 2 398.592 3.587 20 30 GHEDLO CCCCCCCCCNC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC001221029759 1032243420 /nfs/dbraw/zinc/24/34/20/1032243420.db2.gz NVWASXYBWOLRQE-GOSISDBHSA-N 1 2 398.592 3.587 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2ccc(Br)nc2F)C1 ZINC001227611595 1032484914 /nfs/dbraw/zinc/48/49/14/1032484914.db2.gz QZLBCDROOFCAQR-CQSZACIVSA-N 1 2 376.229 3.508 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2ccc(Br)nc2F)C1 ZINC001227611595 1032484917 /nfs/dbraw/zinc/48/49/17/1032484917.db2.gz QZLBCDROOFCAQR-CQSZACIVSA-N 1 2 376.229 3.508 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1c(Cl)ccc(C)c1Cl)C2 ZINC001277230125 1032511117 /nfs/dbraw/zinc/51/11/17/1032511117.db2.gz SBGFFRQPFWKZFF-FQEVSTJZSA-N 1 2 397.346 3.929 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1c(Cl)ccc(C)c1Cl)C2 ZINC001277230125 1032511122 /nfs/dbraw/zinc/51/11/22/1032511122.db2.gz SBGFFRQPFWKZFF-FQEVSTJZSA-N 1 2 397.346 3.929 20 30 GHEDLO C[C@@H](c1cnccn1)[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932941423 1018769238 /nfs/dbraw/zinc/76/92/38/1018769238.db2.gz BGWIBQZYPNYFFG-XHNCKOQMSA-N 1 2 375.263 3.640 20 30 GHEDLO C[C@@H](c1cnccn1)[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932941423 1018769246 /nfs/dbraw/zinc/76/92/46/1018769246.db2.gz BGWIBQZYPNYFFG-XHNCKOQMSA-N 1 2 375.263 3.640 20 30 GHEDLO O=C1C=COC2(CC[NH+](Cc3nnc(-c4cc5c(s4)CCCC5)o3)CC2)C1 ZINC000933654094 1018880331 /nfs/dbraw/zinc/88/03/31/1018880331.db2.gz NSXHECKCKRXJCQ-UHFFFAOYSA-N 1 2 385.489 3.515 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)NCC2CCC(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000566894398 1019260264 /nfs/dbraw/zinc/26/02/64/1019260264.db2.gz RXUITQNIGUADLK-BDHCGPDFSA-N 1 2 392.906 3.853 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)NCC2CCC(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000566894398 1019260276 /nfs/dbraw/zinc/26/02/76/1019260276.db2.gz RXUITQNIGUADLK-BDHCGPDFSA-N 1 2 392.906 3.853 20 30 GHEDLO C/C(=C/c1cccc(C(F)(F)F)c1)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000571988616 1019732933 /nfs/dbraw/zinc/73/29/33/1019732933.db2.gz FEDJAIRANOISDJ-VKAVYKQESA-N 1 2 381.442 3.657 20 30 GHEDLO N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Oc1cccc(-n2cc[nH+]c2)c1 ZINC000157789889 1019857524 /nfs/dbraw/zinc/85/75/24/1019857524.db2.gz MPTFRGPYFSWLDK-UHFFFAOYSA-N 1 2 393.346 3.530 20 30 GHEDLO N#CCCCNC(=O)[C@H]1CC12CC[NH+](Cc1c(Cl)ccc(F)c1F)CC2 ZINC001276464262 1032865982 /nfs/dbraw/zinc/86/59/82/1032865982.db2.gz VLAPEWYTOXDPLN-CQSZACIVSA-N 1 2 381.854 3.640 20 30 GHEDLO Cc1nc(/C=C2/CC3(CCOCC3)C/C(=C/c3[nH]c(C)c(C)[nH+]3)C2=O)[nH]c1C ZINC000901482886 1021417921 /nfs/dbraw/zinc/41/79/21/1021417921.db2.gz XZGBEQNWZXMFQF-XFQWXJFMSA-N 1 2 380.492 3.993 20 30 GHEDLO Cc1ccc(O[C@@H](C)C(=O)N2CC[NH+](Cc3ccc(C#N)c(C)c3)CC2)c(C)c1 ZINC001204679781 1033028746 /nfs/dbraw/zinc/02/87/46/1033028746.db2.gz AKPDGCDPOWEUAC-FQEVSTJZSA-N 1 2 391.515 3.595 20 30 GHEDLO COCC[N@H+](Cc1cccc(C#N)c1Cl)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140814450 1022613198 /nfs/dbraw/zinc/61/31/98/1022613198.db2.gz KRXKVUXZVDSRQQ-KRWDZBQOSA-N 1 2 393.915 3.669 20 30 GHEDLO COCC[N@@H+](Cc1cccc(C#N)c1Cl)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140814450 1022613207 /nfs/dbraw/zinc/61/32/07/1022613207.db2.gz KRXKVUXZVDSRQQ-KRWDZBQOSA-N 1 2 393.915 3.669 20 30 GHEDLO Cc1nc(NCc2cccc(C(=O)OCc3cn4ccccc4c3C#N)c2)cc[nH+]1 ZINC000754953439 1022981515 /nfs/dbraw/zinc/98/15/15/1022981515.db2.gz PZYRQJAVRMKHMX-UHFFFAOYSA-N 1 2 397.438 3.879 20 30 GHEDLO C#Cc1ccc(CNC(=O)N(CC)CC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000836543253 1023094235 /nfs/dbraw/zinc/09/42/35/1023094235.db2.gz UWQUXSFOKYFTKU-UHFFFAOYSA-N 1 2 376.504 3.511 20 30 GHEDLO Cc1nc(NCc2cccc(C(=O)Nc3ccccc3O[C@H](C)C#N)c2)cc[nH+]1 ZINC000756186259 1023549932 /nfs/dbraw/zinc/54/99/32/1023549932.db2.gz JJCKDPDPCKNYNE-OAHLLOKOSA-N 1 2 387.443 3.940 20 30 GHEDLO C#CCOc1ccc(C[N@@H+]2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)cc1OC ZINC001138343540 1024705402 /nfs/dbraw/zinc/70/54/02/1024705402.db2.gz LUOMESCQCXOUDS-SJORKVTESA-N 1 2 388.508 3.537 20 30 GHEDLO C#CCOc1ccc(C[N@H+]2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)cc1OC ZINC001138343540 1024705415 /nfs/dbraw/zinc/70/54/15/1024705415.db2.gz LUOMESCQCXOUDS-SJORKVTESA-N 1 2 388.508 3.537 20 30 GHEDLO Cc1nc(C(F)(F)F)ccc1C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC001141434435 1025044063 /nfs/dbraw/zinc/04/40/63/1025044063.db2.gz BBNAUPOXSGLYPJ-UHFFFAOYSA-N 1 2 378.373 3.742 20 30 GHEDLO C=C(C)COc1ccccc1C[N@@H+]1CCO[C@H]2[C@@H](Oc3ncccc3F)CC[C@@H]21 ZINC001138664528 1025187300 /nfs/dbraw/zinc/18/73/00/1025187300.db2.gz QLSXQQWAMKGTAP-ILWGZMRPSA-N 1 2 398.478 3.986 20 30 GHEDLO C=C(C)COc1ccccc1C[N@H+]1CCO[C@H]2[C@@H](Oc3ncccc3F)CC[C@@H]21 ZINC001138664528 1025187306 /nfs/dbraw/zinc/18/73/06/1025187306.db2.gz QLSXQQWAMKGTAP-ILWGZMRPSA-N 1 2 398.478 3.986 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001138682288 1025206969 /nfs/dbraw/zinc/20/69/69/1025206969.db2.gz NWDZJAWDLHIWAY-JOCHJYFZSA-N 1 2 392.478 3.923 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001138682288 1025206974 /nfs/dbraw/zinc/20/69/74/1025206974.db2.gz NWDZJAWDLHIWAY-JOCHJYFZSA-N 1 2 392.478 3.923 20 30 GHEDLO CC(C)(C)OC(=O)c1ccc(N2CC[NH+](Cc3cc(C#N)ccc3F)CC2)cc1 ZINC001139649767 1026510954 /nfs/dbraw/zinc/51/09/54/1026510954.db2.gz FLNWFQKFRFKSGS-UHFFFAOYSA-N 1 2 395.478 3.975 20 30 GHEDLO CCn1ncc2c1C[N@H+](Cc1c[nH]c3c1cccc3C#N)C[C@@H]2COCC1CC1 ZINC001139704719 1026548605 /nfs/dbraw/zinc/54/86/05/1026548605.db2.gz XIFJOCUAXALPGV-LJQANCHMSA-N 1 2 389.503 3.782 20 30 GHEDLO CCn1ncc2c1C[N@@H+](Cc1c[nH]c3c1cccc3C#N)C[C@@H]2COCC1CC1 ZINC001139704719 1026548613 /nfs/dbraw/zinc/54/86/13/1026548613.db2.gz XIFJOCUAXALPGV-LJQANCHMSA-N 1 2 389.503 3.782 20 30 GHEDLO CCn1cc(C[N@H+](Cc2c(C)nn(C)c2C)Cc2ccc(C)c(C#N)c2)cn1 ZINC001139723905 1026567593 /nfs/dbraw/zinc/56/75/93/1026567593.db2.gz IWJDDLAYGNSRAM-UHFFFAOYSA-N 1 2 376.508 3.636 20 30 GHEDLO CCn1cc(C[N@@H+](Cc2c(C)nn(C)c2C)Cc2ccc(C)c(C#N)c2)cn1 ZINC001139723905 1026567597 /nfs/dbraw/zinc/56/75/97/1026567597.db2.gz IWJDDLAYGNSRAM-UHFFFAOYSA-N 1 2 376.508 3.636 20 30 GHEDLO N#Cc1cccc(N2CCOC[C@]3(CCCN(c4cccc(C5CC5)[nH+]4)C3)C2)c1 ZINC001166454809 1027005415 /nfs/dbraw/zinc/00/54/15/1027005415.db2.gz PLWVFSCCENUHGL-XMMPIXPASA-N 1 2 388.515 3.954 20 30 GHEDLO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1nc(C(F)(F)F)cs1)C2 ZINC001141758243 1027132326 /nfs/dbraw/zinc/13/23/26/1027132326.db2.gz CVFADAMZHTUBSZ-GDBMZVCRSA-N 1 2 376.444 3.736 20 30 GHEDLO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1nc(C(F)(F)F)cs1)C2 ZINC001141758243 1027132335 /nfs/dbraw/zinc/13/23/35/1027132335.db2.gz CVFADAMZHTUBSZ-GDBMZVCRSA-N 1 2 376.444 3.736 20 30 GHEDLO CC(C)OCC[NH+](CCOC(C)C)Cc1cc(Br)ccc1C#N ZINC001141902761 1027627368 /nfs/dbraw/zinc/62/73/68/1027627368.db2.gz CKBQENNYDHBOLB-UHFFFAOYSA-N 1 2 383.330 3.973 20 30 GHEDLO Cc1[nH]c([C@H]2CCCN2S(=O)(=O)c2c(C#N)sc3ccccc32)[nH+]c1C ZINC001213709211 1028343315 /nfs/dbraw/zinc/34/33/15/1028343315.db2.gz KSRONRPWIKTCMU-CQSZACIVSA-N 1 2 386.502 3.639 20 30 GHEDLO N#Cc1ccc(F)c(Nc2cncnc2[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC001214590726 1028809614 /nfs/dbraw/zinc/80/96/14/1028809614.db2.gz UTEFQHNACBZCLT-NRFANRHFSA-N 1 2 389.434 3.804 20 30 GHEDLO N#Cc1ccc(F)c(Nc2cncnc2[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC001214590726 1028809633 /nfs/dbraw/zinc/80/96/33/1028809633.db2.gz UTEFQHNACBZCLT-NRFANRHFSA-N 1 2 389.434 3.804 20 30 GHEDLO COc1ccc(C[NH+]2CCOCC2)cc1Nc1ccc(C#N)c(Cl)c1F ZINC001215551373 1029275676 /nfs/dbraw/zinc/27/56/76/1029275676.db2.gz FJOJYZSGUAXTQT-UHFFFAOYSA-N 1 2 375.831 3.935 20 30 GHEDLO Cc1ccc(Nc2cncnc2[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1C#N ZINC001216072079 1029516316 /nfs/dbraw/zinc/51/63/16/1029516316.db2.gz DRDCLDFCYGBWQK-JOCHJYFZSA-N 1 2 385.471 3.974 20 30 GHEDLO Cc1ccc(Nc2cncnc2[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1C#N ZINC001216072079 1029516322 /nfs/dbraw/zinc/51/63/22/1029516322.db2.gz DRDCLDFCYGBWQK-JOCHJYFZSA-N 1 2 385.471 3.974 20 30 GHEDLO N#Cc1cccc(Nc2cncnc2[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1F ZINC001216412663 1029631595 /nfs/dbraw/zinc/63/15/95/1029631595.db2.gz LFYODHUMDLGXLN-FQEVSTJZSA-N 1 2 389.434 3.804 20 30 GHEDLO N#Cc1cccc(Nc2cncnc2[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1F ZINC001216412663 1029631598 /nfs/dbraw/zinc/63/15/98/1029631598.db2.gz LFYODHUMDLGXLN-FQEVSTJZSA-N 1 2 389.434 3.804 20 30 GHEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143104878 1029842475 /nfs/dbraw/zinc/84/24/75/1029842475.db2.gz GGDBMAXGDHRBPI-IBGZPJMESA-N 1 2 384.524 3.603 20 30 GHEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143104878 1029842483 /nfs/dbraw/zinc/84/24/83/1029842483.db2.gz GGDBMAXGDHRBPI-IBGZPJMESA-N 1 2 384.524 3.603 20 30 GHEDLO COc1cc(C#N)ccc1OC1CC[NH+](Cc2occc2Br)CC1 ZINC001143129005 1029859914 /nfs/dbraw/zinc/85/99/14/1029859914.db2.gz XGFMOLQQCMNGBC-UHFFFAOYSA-N 1 2 391.265 3.966 20 30 GHEDLO COc1ccc(F)c(C(F)(F)F)c1C[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC001143298152 1030002801 /nfs/dbraw/zinc/00/28/01/1030002801.db2.gz FEVHOYLTIVFXLK-ZDUSSCGKSA-N 1 2 375.284 3.600 20 30 GHEDLO COc1ccc(F)c(C(F)(F)F)c1C[N@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC001143298152 1030002816 /nfs/dbraw/zinc/00/28/16/1030002816.db2.gz FEVHOYLTIVFXLK-ZDUSSCGKSA-N 1 2 375.284 3.600 20 30 GHEDLO N#Cc1cccc(OCCO[C@H]2CCC[N@@H+](Cc3cnc(Cl)s3)C2)c1 ZINC001224312248 1030964324 /nfs/dbraw/zinc/96/43/24/1030964324.db2.gz OLWKPTRQLMJSJV-INIZCTEOSA-N 1 2 377.897 3.728 20 30 GHEDLO N#Cc1cccc(OCCO[C@H]2CCC[N@H+](Cc3cnc(Cl)s3)C2)c1 ZINC001224312248 1030964328 /nfs/dbraw/zinc/96/43/28/1030964328.db2.gz OLWKPTRQLMJSJV-INIZCTEOSA-N 1 2 377.897 3.728 20 30 GHEDLO CC(C)(C)n1nc(-c2cccc3ccccc32)c(C#N)c1NC(=O)C1(F)C[NH2+]C1 ZINC001218706045 1031042576 /nfs/dbraw/zinc/04/25/76/1031042576.db2.gz MZRWQFVIDYQRCT-UHFFFAOYSA-N 1 2 391.450 3.580 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2cc(Br)cc(OC)c2)C1=O ZINC001277017938 1031246937 /nfs/dbraw/zinc/24/69/37/1031246937.db2.gz JGKXZDIEZYQRKA-IBGZPJMESA-N 1 2 393.325 3.601 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2cc(Br)cc(OC)c2)C1=O ZINC001277017938 1031246946 /nfs/dbraw/zinc/24/69/46/1031246946.db2.gz JGKXZDIEZYQRKA-IBGZPJMESA-N 1 2 393.325 3.601 20 30 GHEDLO N#Cc1ccc(Br)cc1OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001225786954 1031604599 /nfs/dbraw/zinc/60/45/99/1031604599.db2.gz WOVQGXXTQPYPON-GOSISDBHSA-N 1 2 387.277 3.601 20 30 GHEDLO N#Cc1ccc(Br)cc1OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001225786954 1031604608 /nfs/dbraw/zinc/60/46/08/1031604608.db2.gz WOVQGXXTQPYPON-GOSISDBHSA-N 1 2 387.277 3.601 20 30 GHEDLO N#Cc1cc(Br)ccc1OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001225837253 1031641102 /nfs/dbraw/zinc/64/11/02/1031641102.db2.gz SAVIVSHPGULTKK-GOSISDBHSA-N 1 2 387.277 3.601 20 30 GHEDLO N#Cc1cc(Br)ccc1OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001225837253 1031641116 /nfs/dbraw/zinc/64/11/16/1031641116.db2.gz SAVIVSHPGULTKK-GOSISDBHSA-N 1 2 387.277 3.601 20 30 GHEDLO COc1ccc(C[NH+]2CCOCC2)cc1-c1nc(-c2ccncc2)ccc1C#N ZINC001206497359 1033874364 /nfs/dbraw/zinc/87/43/64/1033874364.db2.gz UIYVCEZPDIDTBN-UHFFFAOYSA-N 1 2 386.455 3.523 20 30 GHEDLO COc1ccc(C[NH+]2CCOCC2)cc1-c1cc(OC)c(OC)cc1CCC#N ZINC001206520190 1033888925 /nfs/dbraw/zinc/88/89/25/1033888925.db2.gz OXSPXEITJKMKBM-UHFFFAOYSA-N 1 2 396.487 3.668 20 30 GHEDLO N#CC1(c2cccc(-c3ccc(C[NH+]4CCOCC4)cc3F)c2)CCOCC1 ZINC001206733933 1033962606 /nfs/dbraw/zinc/96/26/06/1033962606.db2.gz ITFBJFKQUKDMQW-UHFFFAOYSA-N 1 2 380.463 3.897 20 30 GHEDLO C#C[C@@H](NC(=O)N1CC[NH+]([C@@H](CC)c2ccc(F)cc2)CC1)c1ccccc1 ZINC001230489914 1034086847 /nfs/dbraw/zinc/08/68/47/1034086847.db2.gz ZBVLICRUUCLINM-YADHBBJMSA-N 1 2 379.479 3.979 20 30 GHEDLO N#Cc1cnc(Cl)cc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC001158544797 1034139780 /nfs/dbraw/zinc/13/97/80/1034139780.db2.gz DPYRXEKWRAAWII-MRXNPFEDSA-N 1 2 380.801 3.860 20 30 GHEDLO N#Cc1cnc(Cl)cc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC001158544797 1034139792 /nfs/dbraw/zinc/13/97/92/1034139792.db2.gz DPYRXEKWRAAWII-MRXNPFEDSA-N 1 2 380.801 3.860 20 30 GHEDLO N#Cc1cc(Cl)cc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)n1 ZINC001158546859 1034142965 /nfs/dbraw/zinc/14/29/65/1034142965.db2.gz QDBZYNCPQANZBR-INIZCTEOSA-N 1 2 380.801 3.860 20 30 GHEDLO N#Cc1cc(Cl)cc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)n1 ZINC001158546859 1034142970 /nfs/dbraw/zinc/14/29/70/1034142970.db2.gz QDBZYNCPQANZBR-INIZCTEOSA-N 1 2 380.801 3.860 20 30 GHEDLO COC(=O)c1ccc(C(=[NH2+])Nc2cc(F)ccc2-c2ccc(Cl)nn2)cc1 ZINC001159857196 1034764619 /nfs/dbraw/zinc/76/46/19/1034764619.db2.gz IVNVFENAQDNGJW-UHFFFAOYSA-N 1 2 384.798 3.760 20 30 GHEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3cc(F)cc(C#N)c3)CC2)c1 ZINC001208345994 1034866277 /nfs/dbraw/zinc/86/62/77/1034866277.db2.gz ITZLYTARHKPVMO-HNNXBMFYSA-N 1 2 382.439 3.617 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1Cl ZINC001232120901 1035107600 /nfs/dbraw/zinc/10/76/00/1035107600.db2.gz ZVNCACUFQBXOLM-UHFFFAOYSA-N 1 2 380.801 3.948 20 30 GHEDLO COc1cc(C#N)nc(NCc2c[nH+]cn2Cc2ccccc2Br)c1 ZINC001161520046 1035248828 /nfs/dbraw/zinc/24/88/28/1035248828.db2.gz QSHASUXWEUZUPM-UHFFFAOYSA-N 1 2 398.264 3.581 20 30 GHEDLO Cc1cc(C#N)cc(C)c1C[NH+]1CCN(C(=O)c2ccccc2OC(F)F)CC1 ZINC001461967644 1069919829 /nfs/dbraw/zinc/91/98/29/1069919829.db2.gz PAYKOBFZSTVUOM-UHFFFAOYSA-N 1 2 399.441 3.735 20 30 GHEDLO CC(C)[C@H](C#N)c1ccc(-c2ccc(NCC[NH+]3CCN(C)CC3)nc2)cc1 ZINC001241565780 1035623767 /nfs/dbraw/zinc/62/37/67/1035623767.db2.gz LEUXRFABKIPIGC-QFIPXVFZSA-N 1 2 377.536 3.671 20 30 GHEDLO CCCCCCCC[C@@H](O)CNc1c2c(nn1C(=O)OCC)C(C)(C)[NH2+]C2 ZINC001245996458 1037116959 /nfs/dbraw/zinc/11/69/59/1037116959.db2.gz RCSKUHXCHMZTCN-OAHLLOKOSA-N 1 2 380.533 3.749 20 30 GHEDLO N#C[C@@H]1C[C@@H](N2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)CCN1 ZINC001246833847 1037663623 /nfs/dbraw/zinc/66/36/23/1037663623.db2.gz IIFTWSLOEYGXAO-RJGXRXQPSA-N 1 2 394.950 3.691 20 30 GHEDLO C=CCOCc1ncn2c1C[N@H+](Cc1ccc(-n3cccn3)cc1Cl)CCC2 ZINC001232596506 1038371882 /nfs/dbraw/zinc/37/18/82/1038371882.db2.gz LWGKQPSUEPXKGG-UHFFFAOYSA-N 1 2 397.910 3.831 20 30 GHEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1ccc(-n3cccn3)cc1Cl)CCC2 ZINC001232596506 1038371894 /nfs/dbraw/zinc/37/18/94/1038371894.db2.gz LWGKQPSUEPXKGG-UHFFFAOYSA-N 1 2 397.910 3.831 20 30 GHEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2O)C[C@@H]1C(F)(F)F ZINC001232677331 1038476421 /nfs/dbraw/zinc/47/64/21/1038476421.db2.gz AYGMVZLDUMRJAI-GJZGRUSLSA-N 1 2 399.413 3.541 20 30 GHEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2O)C[C@@H]1C(F)(F)F ZINC001232677331 1038476426 /nfs/dbraw/zinc/47/64/26/1038476426.db2.gz AYGMVZLDUMRJAI-GJZGRUSLSA-N 1 2 399.413 3.541 20 30 GHEDLO N#Cc1cc(C[N@@H+]2CC[C@@H](F)[C@@](O)(C(F)(F)F)CC2)ccc1Br ZINC001232894394 1038686604 /nfs/dbraw/zinc/68/66/04/1038686604.db2.gz ZALKWSOVPOYKPB-ZIAGYGMSSA-N 1 2 395.194 3.548 20 30 GHEDLO N#Cc1cc(C[N@H+]2CC[C@@H](F)[C@@](O)(C(F)(F)F)CC2)ccc1Br ZINC001232894394 1038686614 /nfs/dbraw/zinc/68/66/14/1038686614.db2.gz ZALKWSOVPOYKPB-ZIAGYGMSSA-N 1 2 395.194 3.548 20 30 GHEDLO CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H]2C[N@H+](Cc3[nH]ccc3C#N)C[C@H]21 ZINC001233044827 1038800759 /nfs/dbraw/zinc/80/07/59/1038800759.db2.gz WDRTVRQUHSBAEW-AZUAARDMSA-N 1 2 378.476 3.605 20 30 GHEDLO CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H]2C[N@@H+](Cc3[nH]ccc3C#N)C[C@H]21 ZINC001233044827 1038800783 /nfs/dbraw/zinc/80/07/83/1038800783.db2.gz WDRTVRQUHSBAEW-AZUAARDMSA-N 1 2 378.476 3.605 20 30 GHEDLO CN(C)c1ccc(C[NH+]2CCC3(CC2)CC(=O)c2ccccc2O3)c(F)c1C#N ZINC001233100334 1038877439 /nfs/dbraw/zinc/87/74/39/1038877439.db2.gz FYYIUOUBWSMUBD-UHFFFAOYSA-N 1 2 393.462 3.763 20 30 GHEDLO COc1cc(C#N)ccc1OC1CC[NH+](Cc2cn3ccc(Cl)cc3n2)CC1 ZINC001233392331 1039222688 /nfs/dbraw/zinc/22/26/88/1039222688.db2.gz VFUIGYSYFUGWMV-UHFFFAOYSA-N 1 2 396.878 3.911 20 30 GHEDLO C=CCCCCCC[C@@H](O)C[N@H+]1CCO[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC001253235854 1039489492 /nfs/dbraw/zinc/48/94/92/1039489492.db2.gz OXRMUWRRRBFPEM-HSALFYBXSA-N 1 2 396.572 3.584 20 30 GHEDLO C=CCCCCCC[C@@H](O)C[N@@H+]1CCO[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC001253235854 1039489496 /nfs/dbraw/zinc/48/94/96/1039489496.db2.gz OXRMUWRRRBFPEM-HSALFYBXSA-N 1 2 396.572 3.584 20 30 GHEDLO N#CCCN(Cc1cccnc1)Cc1ccc(-n2cc[nH+]c2)c(Br)c1 ZINC001235018647 1040508217 /nfs/dbraw/zinc/50/82/17/1040508217.db2.gz LPEJPBAZWBUZLG-UHFFFAOYSA-N 1 2 396.292 3.946 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](Cc3cnc(-c4c(F)cccc4F)s3)CC2)cn1 ZINC001462560181 1070363104 /nfs/dbraw/zinc/36/31/04/1070363104.db2.gz APGVFAKZOBZINS-UHFFFAOYSA-N 1 2 397.454 3.677 20 30 GHEDLO C#CC[N@@H+](Cc1cnc(NC(=O)OC(C)(C)C)cn1)[C@@H]1CCc2ccccc21 ZINC001237435963 1042207090 /nfs/dbraw/zinc/20/70/90/1042207090.db2.gz VRLHPZJICMMJNH-LJQANCHMSA-N 1 2 378.476 3.946 20 30 GHEDLO C#CC[N@H+](Cc1cnc(NC(=O)OC(C)(C)C)cn1)[C@@H]1CCc2ccccc21 ZINC001237435963 1042207091 /nfs/dbraw/zinc/20/70/91/1042207091.db2.gz VRLHPZJICMMJNH-LJQANCHMSA-N 1 2 378.476 3.946 20 30 GHEDLO COc1cc(Br)c2cc(C[N@H+]3[C@@H]4CC[C@H]3C[C@H](C#N)C4)[nH]c2n1 ZINC001237937849 1042428806 /nfs/dbraw/zinc/42/88/06/1042428806.db2.gz JVIKJSBBVDOPGI-UOJUARBOSA-N 1 2 375.270 3.601 20 30 GHEDLO COc1cc(Br)c2cc(C[N@@H+]3[C@@H]4CC[C@H]3C[C@H](C#N)C4)[nH]c2n1 ZINC001237937849 1042428809 /nfs/dbraw/zinc/42/88/09/1042428809.db2.gz JVIKJSBBVDOPGI-UOJUARBOSA-N 1 2 375.270 3.601 20 30 GHEDLO N#Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2scnc2Br)C1 ZINC001238033539 1042467722 /nfs/dbraw/zinc/46/77/22/1042467722.db2.gz SIEIJCHHKMHJPC-ZDUSSCGKSA-N 1 2 378.295 3.821 20 30 GHEDLO N#Cc1ccccc1O[C@H]1CCC[N@H+](Cc2scnc2Br)C1 ZINC001238033539 1042467725 /nfs/dbraw/zinc/46/77/25/1042467725.db2.gz SIEIJCHHKMHJPC-ZDUSSCGKSA-N 1 2 378.295 3.821 20 30 GHEDLO N#Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2scnc2Br)C1 ZINC001238033538 1042467843 /nfs/dbraw/zinc/46/78/43/1042467843.db2.gz SIEIJCHHKMHJPC-CYBMUJFWSA-N 1 2 378.295 3.821 20 30 GHEDLO N#Cc1ccccc1O[C@@H]1CCC[N@H+](Cc2scnc2Br)C1 ZINC001238033538 1042467846 /nfs/dbraw/zinc/46/78/46/1042467846.db2.gz SIEIJCHHKMHJPC-CYBMUJFWSA-N 1 2 378.295 3.821 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1Cc1c(C)cc(OC(C)C)cc1C ZINC001238678325 1042681720 /nfs/dbraw/zinc/68/17/20/1042681720.db2.gz QJBBHECJUQPCFU-OAQYLSRUSA-N 1 2 384.524 3.521 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1Cc1c(C)cc(OC(C)C)cc1C ZINC001238678325 1042681724 /nfs/dbraw/zinc/68/17/24/1042681724.db2.gz QJBBHECJUQPCFU-OAQYLSRUSA-N 1 2 384.524 3.521 20 30 GHEDLO N#Cc1ccc(-c2ccccc2)nc1-c1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001240446712 1042929521 /nfs/dbraw/zinc/92/95/21/1042929521.db2.gz CAPNABCNCIWCJX-UHFFFAOYSA-N 1 2 385.467 3.998 20 30 GHEDLO C=CC[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](c2ccccc2)C1)C(=O)OC ZINC001256940468 1043764261 /nfs/dbraw/zinc/76/42/61/1043764261.db2.gz GAGFLXHODOIGIZ-OTWHNJEPSA-N 1 2 388.508 3.835 20 30 GHEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCC[C@@H]1c1ccsc1 ZINC001262939361 1046437342 /nfs/dbraw/zinc/43/73/42/1046437342.db2.gz DDAVFVFPIUNDSK-OTWHNJEPSA-N 1 2 399.564 3.793 20 30 GHEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCC[C@@H]1c1ccsc1 ZINC001262939361 1046437351 /nfs/dbraw/zinc/43/73/51/1046437351.db2.gz DDAVFVFPIUNDSK-OTWHNJEPSA-N 1 2 399.564 3.793 20 30 GHEDLO C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1CCCNc1cccc[nH+]1 ZINC001286524361 1048350795 /nfs/dbraw/zinc/35/07/95/1048350795.db2.gz GSOHQEZCTDTSLH-HSZRJFAPSA-N 1 2 392.551 3.900 20 30 GHEDLO N#Cc1csc(C[N@H+]2CCC[C@@H]([C@H](O)c3ccc(Br)cc3)C2)n1 ZINC001307810303 1049607690 /nfs/dbraw/zinc/60/76/90/1049607690.db2.gz BKDANPBXLWBYEF-CXAGYDPISA-N 1 2 392.322 3.723 20 30 GHEDLO N#Cc1csc(C[N@@H+]2CCC[C@@H]([C@H](O)c3ccc(Br)cc3)C2)n1 ZINC001307810303 1049607697 /nfs/dbraw/zinc/60/76/97/1049607697.db2.gz BKDANPBXLWBYEF-CXAGYDPISA-N 1 2 392.322 3.723 20 30 GHEDLO N#Cc1csc(C[NH2+]C[C@@](O)(c2cccc(C(F)(F)F)c2)C(F)(F)F)n1 ZINC001308558702 1050008959 /nfs/dbraw/zinc/00/89/59/1050008959.db2.gz NRWGXCVRNYYKLR-CYBMUJFWSA-N 1 2 395.328 3.573 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC(c2ccon2)CC1 ZINC001342325074 1053109211 /nfs/dbraw/zinc/10/92/11/1053109211.db2.gz UUDJMKBDULXRDB-LJQANCHMSA-N 1 2 395.511 3.668 20 30 GHEDLO Cc1ccc(CNC(=O)N2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)cc1C#N ZINC001342410129 1053154715 /nfs/dbraw/zinc/15/47/15/1053154715.db2.gz OGSRIUIIPBCKDA-SFHVURJKSA-N 1 2 379.508 3.907 20 30 GHEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@@H](c2ccco2)C1 ZINC001343546884 1053865915 /nfs/dbraw/zinc/86/59/15/1053865915.db2.gz UFTAZFNLVNWIFW-LJQANCHMSA-N 1 2 394.523 3.534 20 30 GHEDLO CCCN(CC)c1nnc(C2CC[NH+](CCC#N)CC2)n1Cc1cccs1 ZINC001343560307 1053882011 /nfs/dbraw/zinc/88/20/11/1053882011.db2.gz XKENCSJQRNXXQE-UHFFFAOYSA-N 1 2 386.569 3.717 20 30 GHEDLO COc1cc[nH+]cc1Cn1c(CC2CCCC2)nnc1N1CCC(CC#N)CC1 ZINC001315671605 1053909144 /nfs/dbraw/zinc/90/91/44/1053909144.db2.gz IATSHILMARJCQE-UHFFFAOYSA-N 1 2 394.523 3.593 20 30 GHEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1Cc2ccccc2[C@@H]1C ZINC001343780168 1054023454 /nfs/dbraw/zinc/02/34/54/1054023454.db2.gz KPGPYTCXFQNBDT-CUWPLCDZSA-N 1 2 393.535 3.861 20 30 GHEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1Cc2ccccc2[C@@H]1C ZINC001343780168 1054023467 /nfs/dbraw/zinc/02/34/67/1054023467.db2.gz KPGPYTCXFQNBDT-CUWPLCDZSA-N 1 2 393.535 3.861 20 30 GHEDLO CC(C)C(C#N)=CNNc1ccc(S(=O)(=O)NC2CCCCCCC2)c[nH+]1 ZINC001319380869 1055214090 /nfs/dbraw/zinc/21/40/90/1055214090.db2.gz NZCJRAIIEXOPBG-INIZCTEOSA-N 1 2 391.541 3.666 20 30 GHEDLO C[N@@H+]1CCCC[C@@H]1c1nnc(N2Cc3ccc(C#N)cc3C2)n1Cc1ccccc1 ZINC001353948291 1056170728 /nfs/dbraw/zinc/17/07/28/1056170728.db2.gz FTRGJUBQOIXGJK-JOCHJYFZSA-N 1 2 398.514 3.875 20 30 GHEDLO C[N@H+]1CCCC[C@@H]1c1nnc(N2Cc3ccc(C#N)cc3C2)n1Cc1ccccc1 ZINC001353948291 1056170737 /nfs/dbraw/zinc/17/07/37/1056170737.db2.gz FTRGJUBQOIXGJK-JOCHJYFZSA-N 1 2 398.514 3.875 20 30 GHEDLO N#Cc1ccc2c(c1)CN(c1nnc(C[NH+]3CCCC3)n1CCc1ccccc1)C2 ZINC001354475249 1056697353 /nfs/dbraw/zinc/69/73/53/1056697353.db2.gz SVJSQBWTBSMJMK-UHFFFAOYSA-N 1 2 398.514 3.508 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2CC2CCC(C(F)(F)F)CC2)CC1 ZINC001300682477 1056860550 /nfs/dbraw/zinc/86/05/50/1056860550.db2.gz NLIQHIVAZFZBSK-UHFFFAOYSA-N 1 2 397.489 3.525 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2CCC=C(C)C)CC1 ZINC001300693270 1056893938 /nfs/dbraw/zinc/89/39/38/1056893938.db2.gz WABWQAFWLBXJES-UHFFFAOYSA-N 1 2 383.927 3.710 20 30 GHEDLO CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H]1CCCC1=NNCCCn1cc[nH+]c1 ZINC000848416788 1057074938 /nfs/dbraw/zinc/07/49/38/1057074938.db2.gz YKKNPJQKIRUUSO-IEBWSBKVSA-N 1 2 389.544 3.809 20 30 GHEDLO CC[C@@H](C#N)Oc1cc(CNc2nc(C3CC3)[nH+]c(C)c2OC)ccc1OC ZINC000848665050 1057230231 /nfs/dbraw/zinc/23/02/31/1057230231.db2.gz KKYNTDPQNJUTSY-INIZCTEOSA-N 1 2 382.464 3.973 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1Cc2ccc(Cl)cc2C1 ZINC001356377411 1057493712 /nfs/dbraw/zinc/49/37/12/1057493712.db2.gz CYFDSEHRACDCLY-UHFFFAOYSA-N 1 2 384.915 3.565 20 30 GHEDLO C=CCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC001337649801 1058203825 /nfs/dbraw/zinc/20/38/25/1058203825.db2.gz LZJUFZJPVQNMJV-PKOBYXMFSA-N 1 2 378.472 3.522 20 30 GHEDLO C=CCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC001337649801 1058203842 /nfs/dbraw/zinc/20/38/42/1058203842.db2.gz LZJUFZJPVQNMJV-PKOBYXMFSA-N 1 2 378.472 3.522 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@H]3CCC[C@@H](C(F)(F)F)C3)CC2)cc1 ZINC001440432068 1058517593 /nfs/dbraw/zinc/51/75/93/1058517593.db2.gz QZJVYJLSQXIITI-RBUKOAKNSA-N 1 2 393.453 3.961 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2Cc2ccccc2)nnc1N1CC[C@H](COC)C1 ZINC001339055733 1058941712 /nfs/dbraw/zinc/94/17/12/1058941712.db2.gz GAKKUSPWXSJJIW-SFTDATJTSA-N 1 2 395.551 3.664 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@H+]2Cc2ccccc2)nnc1N1CC[C@H](COC)C1 ZINC001339055733 1058941713 /nfs/dbraw/zinc/94/17/13/1058941713.db2.gz GAKKUSPWXSJJIW-SFTDATJTSA-N 1 2 395.551 3.664 20 30 GHEDLO C=CCn1c([C@@H]2C[C@@H]2OC(C)(C)C)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001339139687 1058977653 /nfs/dbraw/zinc/97/76/53/1058977653.db2.gz IYRQJLXUGSZHST-MSOLQXFVSA-N 1 2 396.539 3.611 20 30 GHEDLO C=C[C@H](C(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC001443096076 1059062143 /nfs/dbraw/zinc/06/21/43/1059062143.db2.gz ZHLUUSNBZGCFSN-REWPJTCUSA-N 1 2 378.516 3.706 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCc2ccc(O)cc2C1 ZINC001339796483 1059477769 /nfs/dbraw/zinc/47/77/69/1059477769.db2.gz PCNOZKPWTRYTQO-HXUWFJFHSA-N 1 2 392.507 3.564 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC001340626812 1060000176 /nfs/dbraw/zinc/00/01/76/1060000176.db2.gz CZRFLSNLJSREMB-SXLOBPIMSA-N 1 2 382.556 3.572 20 30 GHEDLO C=CCn1c(-c2scnc2CC)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001340783351 1060123713 /nfs/dbraw/zinc/12/37/13/1060123713.db2.gz NUWNPSCYGWNEJW-UHFFFAOYSA-N 1 2 395.536 3.626 20 30 GHEDLO C#C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccncc1)c1ccc(Cl)cc1F ZINC001341758566 1060869874 /nfs/dbraw/zinc/86/98/74/1060869874.db2.gz MWPGIKXRDOKONO-PMACEKPBSA-N 1 2 385.870 3.719 20 30 GHEDLO C#C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccncc1)c1ccc(Cl)cc1F ZINC001341758566 1060869889 /nfs/dbraw/zinc/86/98/89/1060869889.db2.gz MWPGIKXRDOKONO-PMACEKPBSA-N 1 2 385.870 3.719 20 30 GHEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@H]1C1CCC1 ZINC001342004895 1060992240 /nfs/dbraw/zinc/99/22/40/1060992240.db2.gz HSPBAEQHPYSYGV-FQEVSTJZSA-N 1 2 382.556 3.716 20 30 GHEDLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C#N)cc1F ZINC001435624383 1062788609 /nfs/dbraw/zinc/78/86/09/1062788609.db2.gz LJHPDFYIEBMNBK-AOMKIAJQSA-N 1 2 394.494 3.774 20 30 GHEDLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C#N)cc1F ZINC001435624383 1062788629 /nfs/dbraw/zinc/78/86/29/1062788629.db2.gz LJHPDFYIEBMNBK-AOMKIAJQSA-N 1 2 394.494 3.774 20 30 GHEDLO C#CC[C@H](CC)c1nnc(N2CCC(Nc3cccc[nH+]3)CC2)n1CC1CC1 ZINC001349075410 1063531139 /nfs/dbraw/zinc/53/11/39/1063531139.db2.gz WRJZAKRZLMGLQT-SFHVURJKSA-N 1 2 378.524 3.681 20 30 GHEDLO C=CC[N@H+](Cc1cccc2nsnc21)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001459948780 1064295594 /nfs/dbraw/zinc/29/55/94/1064295594.db2.gz AFFQMDDXGSGXBO-IBGZPJMESA-N 1 2 381.501 3.854 20 30 GHEDLO C=CC[N@@H+](Cc1cccc2nsnc21)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001459948780 1064295605 /nfs/dbraw/zinc/29/56/05/1064295605.db2.gz AFFQMDDXGSGXBO-IBGZPJMESA-N 1 2 381.501 3.854 20 30 GHEDLO N#C[C@@H](NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC001464839264 1065238159 /nfs/dbraw/zinc/23/81/59/1065238159.db2.gz UXXBPSHVABEBAL-LJQANCHMSA-N 1 2 379.851 3.643 20 30 GHEDLO C=CCN(C)c1nnc([C@H](C)CC)n1C[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001359231013 1067831782 /nfs/dbraw/zinc/83/17/82/1067831782.db2.gz LQEBYMFOLNZIFJ-TZIWHRDSSA-N 1 2 397.567 3.796 20 30 GHEDLO C#C[C@H]1CC[C@H](NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC001468758279 1067863474 /nfs/dbraw/zinc/86/34/74/1067863474.db2.gz GYCQJPLUJPMUNA-ATZDWAIDSA-N 1 2 391.918 3.935 20 30 GHEDLO C#C[C@H]1CC[C@H](NC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC001468758279 1067863483 /nfs/dbraw/zinc/86/34/83/1067863483.db2.gz GYCQJPLUJPMUNA-ATZDWAIDSA-N 1 2 391.918 3.935 20 30 GHEDLO C[C@@H](C#N)CN(C)c1nnc(CC2CCCC2)n1CCCNc1cccc[nH+]1 ZINC001359475502 1068070489 /nfs/dbraw/zinc/07/04/89/1068070489.db2.gz LZEWNLXLQPYHNR-KRWDZBQOSA-N 1 2 381.528 3.504 20 30 GHEDLO C#CC[N@@H+](CC(=O)OC(C)(C)C)C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC001460355442 1068938587 /nfs/dbraw/zinc/93/85/87/1068938587.db2.gz HIAQQYQBBGPQIT-IYARVYRRSA-N 1 2 394.556 3.594 20 30 GHEDLO C#CC[N@H+](CC(=O)OC(C)(C)C)C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC001460355442 1068938595 /nfs/dbraw/zinc/93/85/95/1068938595.db2.gz HIAQQYQBBGPQIT-IYARVYRRSA-N 1 2 394.556 3.594 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](CC(=O)Nc3ccc(Cl)c(F)c3)CC2)cc1 ZINC001473442379 1073964779 /nfs/dbraw/zinc/96/47/79/1073964779.db2.gz AYTRSVCUJWEHQC-UHFFFAOYSA-N 1 2 387.842 3.833 20 30 GHEDLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(C#N)ccc1Br ZINC001473701535 1074095734 /nfs/dbraw/zinc/09/57/34/1074095734.db2.gz KHQDZZRCSHBXDI-SWLSCSKDSA-N 1 2 394.313 3.808 20 30 GHEDLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1cc(C#N)ccc1Br ZINC001473701535 1074095744 /nfs/dbraw/zinc/09/57/44/1074095744.db2.gz KHQDZZRCSHBXDI-SWLSCSKDSA-N 1 2 394.313 3.808 20 30 GHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000177035373 837725203 /nfs/dbraw/zinc/72/52/03/837725203.db2.gz IFRZYPBAUAJVIT-JOCHJYFZSA-N 1 2 388.471 3.727 20 30 GHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000177035373 837725213 /nfs/dbraw/zinc/72/52/13/837725213.db2.gz IFRZYPBAUAJVIT-JOCHJYFZSA-N 1 2 388.471 3.727 20 30 GHEDLO N#CCc1cccc(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000049614033 834752051 /nfs/dbraw/zinc/75/20/51/834752051.db2.gz VODLHQOMOAOZPA-UHFFFAOYSA-N 1 2 387.405 3.729 20 30 GHEDLO COc1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000430179509 834798468 /nfs/dbraw/zinc/79/84/68/834798468.db2.gz OQLRHDAEDUJPOH-HNNXBMFYSA-N 1 2 378.259 3.922 20 30 GHEDLO COc1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000430179509 834798475 /nfs/dbraw/zinc/79/84/75/834798475.db2.gz OQLRHDAEDUJPOH-HNNXBMFYSA-N 1 2 378.259 3.922 20 30 GHEDLO N#Cc1ccc(CNC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)cc1 ZINC000430200894 835036092 /nfs/dbraw/zinc/03/60/92/835036092.db2.gz XZLRTTKTFRBZSJ-UHFFFAOYSA-N 1 2 393.878 3.820 20 30 GHEDLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)N[C@](C)(C#N)C(C)C)ccc1Br ZINC000430245657 835370931 /nfs/dbraw/zinc/37/09/31/835370931.db2.gz PMBNQBSHIHUFRU-PKOBYXMFSA-N 1 2 392.341 3.949 20 30 GHEDLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)N[C@](C)(C#N)C(C)C)ccc1Br ZINC000430245657 835370938 /nfs/dbraw/zinc/37/09/38/835370938.db2.gz PMBNQBSHIHUFRU-PKOBYXMFSA-N 1 2 392.341 3.949 20 30 GHEDLO C[C@]1(C#N)CCCN(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000612124933 835560879 /nfs/dbraw/zinc/56/08/79/835560879.db2.gz WPIMWKUBWUSLHM-FXAWDEMLSA-N 1 2 392.906 3.779 20 30 GHEDLO C[C@]1(C#N)CCCN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000612124933 835560885 /nfs/dbraw/zinc/56/08/85/835560885.db2.gz WPIMWKUBWUSLHM-FXAWDEMLSA-N 1 2 392.906 3.779 20 30 GHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000512532117 844078144 /nfs/dbraw/zinc/07/81/44/844078144.db2.gz MABKRQUDGLONFA-INIZCTEOSA-N 1 2 384.480 3.598 20 30 GHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000512532117 844078152 /nfs/dbraw/zinc/07/81/52/844078152.db2.gz MABKRQUDGLONFA-INIZCTEOSA-N 1 2 384.480 3.598 20 30 GHEDLO C[C@@]1(C#N)CCC[N@@H+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000612163307 835726224 /nfs/dbraw/zinc/72/62/24/835726224.db2.gz REORJILEYCYXFS-MJGOQNOKSA-N 1 2 379.426 3.822 20 30 GHEDLO C[C@@]1(C#N)CCC[N@H+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000612163307 835726230 /nfs/dbraw/zinc/72/62/30/835726230.db2.gz REORJILEYCYXFS-MJGOQNOKSA-N 1 2 379.426 3.822 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1cc(C)cc(OC(F)(F)F)c1 ZINC001143463103 836084090 /nfs/dbraw/zinc/08/40/90/836084090.db2.gz DBCAAUKRCWXFRU-SFHVURJKSA-N 1 2 395.425 3.929 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1cc(C)cc(OC(F)(F)F)c1 ZINC001143463103 836084097 /nfs/dbraw/zinc/08/40/97/836084097.db2.gz DBCAAUKRCWXFRU-SFHVURJKSA-N 1 2 395.425 3.929 20 30 GHEDLO COc1ccc(CC(N)=[NH+]OCc2nc(-c3ccccc3)oc2C)cc1OC ZINC000065948707 836324374 /nfs/dbraw/zinc/32/43/74/836324374.db2.gz FNPQYRVPXBLCRJ-UHFFFAOYSA-N 1 2 381.432 3.699 20 30 GHEDLO Cn1c[nH+]cc1CCNC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000613413559 836327356 /nfs/dbraw/zinc/32/73/56/836327356.db2.gz RLGOCHQSUSJWRD-UHFFFAOYSA-N 1 2 397.294 3.682 20 30 GHEDLO C=C(C)Cn1c(CC(C)C)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000549725020 844182636 /nfs/dbraw/zinc/18/26/36/844182636.db2.gz WNMWHFHCWHYRDD-UHFFFAOYSA-N 1 2 397.571 3.601 20 30 GHEDLO COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000510211877 836773848 /nfs/dbraw/zinc/77/38/48/836773848.db2.gz NMIJRIUQNKJLJC-UWJYYQICSA-N 1 2 398.528 3.814 20 30 GHEDLO COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000510211877 836773857 /nfs/dbraw/zinc/77/38/57/836773857.db2.gz NMIJRIUQNKJLJC-UWJYYQICSA-N 1 2 398.528 3.814 20 30 GHEDLO N#CCC1(C[NH+]2CCN(C(=O)c3ccc(OCc4ccccc4)cc3)CC2)CC1 ZINC001167240346 837004311 /nfs/dbraw/zinc/00/43/11/837004311.db2.gz CINDEAFWDFBMPB-UHFFFAOYSA-N 1 2 389.499 3.717 20 30 GHEDLO Cn1cc(C#N)cc1C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000177165834 837894189 /nfs/dbraw/zinc/89/41/89/837894189.db2.gz QKPARCMVPUHNLF-UHFFFAOYSA-N 1 2 395.466 3.739 20 30 GHEDLO CCOc1ccc(C#N)cc1NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000610322710 838444954 /nfs/dbraw/zinc/44/49/54/838444954.db2.gz CYHNXTZLQLRPHM-GOSISDBHSA-N 1 2 389.459 3.796 20 30 GHEDLO CCc1cccc(C)c1NC(=O)CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782949511 838502634 /nfs/dbraw/zinc/50/26/34/838502634.db2.gz IQDOWTXHZYXMEW-UHFFFAOYSA-N 1 2 390.281 3.596 20 30 GHEDLO COc1ccc(Br)cc1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000376735023 838660112 /nfs/dbraw/zinc/66/01/12/838660112.db2.gz DVOWFEFGLVPEMA-UHFFFAOYSA-N 1 2 386.293 3.910 20 30 GHEDLO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1nc(C(F)(F)F)cs1 ZINC000274411585 838909123 /nfs/dbraw/zinc/90/91/23/838909123.db2.gz SBKDFPCTUQOKCG-FZMZJTMJSA-N 1 2 394.422 3.880 20 30 GHEDLO N#CCSc1ccccc1NC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000155717182 839382955 /nfs/dbraw/zinc/38/29/55/839382955.db2.gz FKPYFXZSGDJSPV-UHFFFAOYSA-N 1 2 396.472 3.814 20 30 GHEDLO N#CCSc1ccccc1NC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000155717182 839382960 /nfs/dbraw/zinc/38/29/60/839382960.db2.gz FKPYFXZSGDJSPV-UHFFFAOYSA-N 1 2 396.472 3.814 20 30 GHEDLO Cc1cnn([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)C2)c1 ZINC000580604707 839886052 /nfs/dbraw/zinc/88/60/52/839886052.db2.gz QSFRZDNDUQTQHB-HOTGVXAUSA-N 1 2 397.548 3.668 20 30 GHEDLO Cc1cnn([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)C2)c1 ZINC000580604707 839886053 /nfs/dbraw/zinc/88/60/53/839886053.db2.gz QSFRZDNDUQTQHB-HOTGVXAUSA-N 1 2 397.548 3.668 20 30 GHEDLO N#C[C@@H](CCc1ccccc1)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000417259096 840652284 /nfs/dbraw/zinc/65/22/84/840652284.db2.gz YADLEVKSEOAYBK-OAQYLSRUSA-N 1 2 388.471 3.809 20 30 GHEDLO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)c1coc(C2CCOCC2)n1 ZINC000328767771 840911857 /nfs/dbraw/zinc/91/18/57/840911857.db2.gz PZIDGQUVTXEFGN-UHFFFAOYSA-N 1 2 389.883 3.585 20 30 GHEDLO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)c1coc(C2CCOCC2)n1 ZINC000328767771 840911862 /nfs/dbraw/zinc/91/18/62/840911862.db2.gz PZIDGQUVTXEFGN-UHFFFAOYSA-N 1 2 389.883 3.585 20 30 GHEDLO O=C(NCc1nc(C(F)(F)F)n[nH]1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000330100910 841725097 /nfs/dbraw/zinc/72/50/97/841725097.db2.gz DXRGMUYPQAVISI-GFCCVEGCSA-N 1 2 396.417 3.787 20 30 GHEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC1 ZINC000609486469 842126033 /nfs/dbraw/zinc/12/60/33/842126033.db2.gz KSQMUHYDSYCKRR-QFIPXVFZSA-N 1 2 376.504 3.605 20 30 GHEDLO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000581837198 842264291 /nfs/dbraw/zinc/26/42/91/842264291.db2.gz JMWURWOSHNBOAN-UHFFFAOYSA-N 1 2 396.926 3.825 20 30 GHEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3Cc4ccc(O)cc4C3)sc2C1 ZINC000599535958 861300680 /nfs/dbraw/zinc/30/06/80/861300680.db2.gz AYGLTBWMQLFKFK-ZDUSSCGKSA-N 1 2 381.501 3.795 20 30 GHEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3Cc4ccc(O)cc4C3)sc2C1 ZINC000599535958 861300698 /nfs/dbraw/zinc/30/06/98/861300698.db2.gz AYGLTBWMQLFKFK-ZDUSSCGKSA-N 1 2 381.501 3.795 20 30 GHEDLO C[C@@H](NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccc(C#N)cc1 ZINC000278987257 842426890 /nfs/dbraw/zinc/42/68/90/842426890.db2.gz DLGUDVYZVKMXIF-MRXNPFEDSA-N 1 2 377.492 3.741 20 30 GHEDLO C=CCCC[C@H](C)NC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000544681662 842553655 /nfs/dbraw/zinc/55/36/55/842553655.db2.gz DDHIHAJPUDMBBQ-AWEZNQCLSA-N 1 2 393.329 3.992 20 30 GHEDLO Cc1cc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cnc1N1CCCC[C@H]1C ZINC000329364651 861329365 /nfs/dbraw/zinc/32/93/65/861329365.db2.gz GBXJBNWZVQSSME-IEBWSBKVSA-N 1 2 382.512 3.675 20 30 GHEDLO Cc1nnc(C[N@@H+]2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)n1C1CC1 ZINC000329365321 861331200 /nfs/dbraw/zinc/33/12/00/861331200.db2.gz GJCPYHDIMBTZMS-INIZCTEOSA-N 1 2 397.527 3.802 20 30 GHEDLO Cc1nnc(C[N@H+]2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)n1C1CC1 ZINC000329365321 861331222 /nfs/dbraw/zinc/33/12/22/861331222.db2.gz GJCPYHDIMBTZMS-INIZCTEOSA-N 1 2 397.527 3.802 20 30 GHEDLO C=CCc1cc(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc(OC)c1OC ZINC000050525953 842695826 /nfs/dbraw/zinc/69/58/26/842695826.db2.gz GWBWGWUJGJVETP-UHFFFAOYSA-N 1 2 391.471 3.607 20 30 GHEDLO CS(=O)(=O)c1cccc([C@H]([NH2+]CC2(CC#N)CC2)c2cc(F)ccc2F)c1 ZINC000430741251 842913918 /nfs/dbraw/zinc/91/39/18/842913918.db2.gz IMHAHFDKAZMBKO-IBGZPJMESA-N 1 2 390.455 3.741 20 30 GHEDLO O=C(NC1CCN(c2nc3ccccc3s2)CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000328935344 842995920 /nfs/dbraw/zinc/99/59/20/842995920.db2.gz FPEUEWMNVXTGBH-AWEZNQCLSA-N 1 2 381.505 3.681 20 30 GHEDLO O=C(Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2nc(C3CC3)no2)C1)C1CCCC1 ZINC000329405452 861378771 /nfs/dbraw/zinc/37/87/71/861378771.db2.gz ZERFXZZJWUUUFR-HNNXBMFYSA-N 1 2 384.484 3.828 20 30 GHEDLO O=C(Nc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2nc(C3CC3)no2)C1)C1CCCC1 ZINC000329405452 861378788 /nfs/dbraw/zinc/37/87/88/861378788.db2.gz ZERFXZZJWUUUFR-HNNXBMFYSA-N 1 2 384.484 3.828 20 30 GHEDLO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1nc(C(F)(F)F)cs1 ZINC000278883683 843510566 /nfs/dbraw/zinc/51/05/66/843510566.db2.gz IEXFRQRYNUQIHG-QMMMGPOBSA-N 1 2 388.802 3.976 20 30 GHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1csc(Br)c1 ZINC000128696018 843570105 /nfs/dbraw/zinc/57/01/05/843570105.db2.gz WMQWYKJGCFOQGB-NSHDSACASA-N 1 2 378.295 3.841 20 30 GHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1csc(Br)c1 ZINC000128696018 843570112 /nfs/dbraw/zinc/57/01/12/843570112.db2.gz WMQWYKJGCFOQGB-NSHDSACASA-N 1 2 378.295 3.841 20 30 GHEDLO COc1cc(C)c(C[N@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)cc1OC ZINC000176052192 843639607 /nfs/dbraw/zinc/63/96/07/843639607.db2.gz WACAHJQACVEQRM-UHFFFAOYSA-N 1 2 387.505 3.633 20 30 GHEDLO COc1cc(C)c(C[N@@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)cc1OC ZINC000176052192 843639617 /nfs/dbraw/zinc/63/96/17/843639617.db2.gz WACAHJQACVEQRM-UHFFFAOYSA-N 1 2 387.505 3.633 20 30 GHEDLO C[N@H+](Cc1ccccc1OC(F)(F)F)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000433280539 843952032 /nfs/dbraw/zinc/95/20/32/843952032.db2.gz CIRBBUOPZABBAT-AWEZNQCLSA-N 1 2 395.406 3.756 20 30 GHEDLO C[N@@H+](Cc1ccccc1OC(F)(F)F)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000433280539 843952036 /nfs/dbraw/zinc/95/20/36/843952036.db2.gz CIRBBUOPZABBAT-AWEZNQCLSA-N 1 2 395.406 3.756 20 30 GHEDLO CC(C)(C#N)c1ccc(C[NH+]2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1 ZINC000614166871 844821317 /nfs/dbraw/zinc/82/13/17/844821317.db2.gz VELIYZTUJDTKCE-UHFFFAOYSA-N 1 2 386.499 3.927 20 30 GHEDLO COc1ccc([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)cc1F ZINC000599679689 861519688 /nfs/dbraw/zinc/51/96/88/861519688.db2.gz NQGJMANRAOKNAV-CZUORRHYSA-N 1 2 385.439 3.732 20 30 GHEDLO COc1ccc([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)cc1F ZINC000599679689 861519698 /nfs/dbraw/zinc/51/96/98/861519698.db2.gz NQGJMANRAOKNAV-CZUORRHYSA-N 1 2 385.439 3.732 20 30 GHEDLO C=C(CNC(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1)c1ccccc1 ZINC000512677963 845008832 /nfs/dbraw/zinc/00/88/32/845008832.db2.gz NKBLOUIXVRFHNV-IBGZPJMESA-N 1 2 379.504 3.797 20 30 GHEDLO C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686514 861529561 /nfs/dbraw/zinc/52/95/61/861529561.db2.gz SSUQTXRZKCUIMO-CQSZACIVSA-N 1 2 385.414 3.739 20 30 GHEDLO C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686514 861529575 /nfs/dbraw/zinc/52/95/75/861529575.db2.gz SSUQTXRZKCUIMO-CQSZACIVSA-N 1 2 385.414 3.739 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000555685431 861576629 /nfs/dbraw/zinc/57/66/29/861576629.db2.gz LCUBBIFLMODELM-KRWDZBQOSA-N 1 2 390.270 3.957 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000555685431 861576632 /nfs/dbraw/zinc/57/66/32/861576632.db2.gz LCUBBIFLMODELM-KRWDZBQOSA-N 1 2 390.270 3.957 20 30 GHEDLO CC(C)(C)c1cccc(OCC[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000513665407 846231705 /nfs/dbraw/zinc/23/17/05/846231705.db2.gz DNQSICWXESPKKN-MHECFPHRSA-N 1 2 389.499 3.708 20 30 GHEDLO CC(C)(C)c1cccc(OCC[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000513665407 846231715 /nfs/dbraw/zinc/23/17/15/846231715.db2.gz DNQSICWXESPKKN-MHECFPHRSA-N 1 2 389.499 3.708 20 30 GHEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429132198 861701177 /nfs/dbraw/zinc/70/11/77/861701177.db2.gz DOOOSSIKXMZEAZ-IRXDYDNUSA-N 1 2 381.451 3.744 20 30 GHEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429132198 861701184 /nfs/dbraw/zinc/70/11/84/861701184.db2.gz DOOOSSIKXMZEAZ-IRXDYDNUSA-N 1 2 381.451 3.744 20 30 GHEDLO Cn1ncc(NC(=O)OC(C)(C)C)c1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000892246218 846812303 /nfs/dbraw/zinc/81/23/03/846812303.db2.gz ORZMGOXBXCUPOJ-UHFFFAOYSA-N 1 2 393.491 3.928 20 30 GHEDLO Cn1ncc(NC(=O)OC(C)(C)C)c1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000892246218 846812310 /nfs/dbraw/zinc/81/23/10/846812310.db2.gz ORZMGOXBXCUPOJ-UHFFFAOYSA-N 1 2 393.491 3.928 20 30 GHEDLO CC(C)C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000582319272 846859385 /nfs/dbraw/zinc/85/93/85/846859385.db2.gz NIFDRPCVAJICES-LJQANCHMSA-N 1 2 384.911 3.912 20 30 GHEDLO CC(C)C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000582319272 846859389 /nfs/dbraw/zinc/85/93/89/846859389.db2.gz NIFDRPCVAJICES-LJQANCHMSA-N 1 2 384.911 3.912 20 30 GHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)[C@H](C)c2ccncc2)c1C#N ZINC000127490351 846985399 /nfs/dbraw/zinc/98/53/99/846985399.db2.gz WDTHFBLLQFXHMQ-QGZVFWFLSA-N 1 2 391.475 3.644 20 30 GHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)[C@H](C)c2ccncc2)c1C#N ZINC000127490351 846985410 /nfs/dbraw/zinc/98/54/10/846985410.db2.gz WDTHFBLLQFXHMQ-QGZVFWFLSA-N 1 2 391.475 3.644 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H](CC(F)F)c3ccccc3)CC2)cc1 ZINC000422272326 847509356 /nfs/dbraw/zinc/50/93/56/847509356.db2.gz YYPAHTBPAGAKAB-FQEVSTJZSA-N 1 2 398.457 3.782 20 30 GHEDLO COCCn1c(C)cc(C(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1C ZINC000502498935 847961232 /nfs/dbraw/zinc/96/12/32/847961232.db2.gz BVAKFOCLURSYTG-UHFFFAOYSA-N 1 2 377.488 3.595 20 30 GHEDLO COCCn1c(C)cc(C(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1C ZINC000502498935 847961241 /nfs/dbraw/zinc/96/12/41/847961241.db2.gz BVAKFOCLURSYTG-UHFFFAOYSA-N 1 2 377.488 3.595 20 30 GHEDLO C[C@H]([C@H](C)NC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[NH+]1CCOCC1 ZINC000329117905 848884677 /nfs/dbraw/zinc/88/46/77/848884677.db2.gz UTRITEXPAYUVDV-JKSUJKDBSA-N 1 2 389.496 3.553 20 30 GHEDLO CC1(CO)CCN(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000329671919 862002680 /nfs/dbraw/zinc/00/26/80/862002680.db2.gz SHYWFFKRXVYKDL-KRWDZBQOSA-N 1 2 397.922 3.624 20 30 GHEDLO CCN(C([O-])=[NH+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)[C@@H]1CCOC(C)(C)C1 ZINC000329675550 862008678 /nfs/dbraw/zinc/00/86/78/862008678.db2.gz ULLOVOOMXFXUGO-HZPDHXFCSA-N 1 2 376.545 3.689 20 30 GHEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@H]2c2ccc(OC)c(OC)c2)c1C#N ZINC000535977739 849449793 /nfs/dbraw/zinc/44/97/93/849449793.db2.gz GUORWIMCGLIWEU-IBGZPJMESA-N 1 2 380.444 3.699 20 30 GHEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@H]2c2ccc(OC)c(OC)c2)c1C#N ZINC000535977739 849449798 /nfs/dbraw/zinc/44/97/98/849449798.db2.gz GUORWIMCGLIWEU-IBGZPJMESA-N 1 2 380.444 3.699 20 30 GHEDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CCO[C@@H](C2CCCCC2)C1 ZINC000329683671 862053850 /nfs/dbraw/zinc/05/38/50/862053850.db2.gz TWUWZJFCKABMDD-HXUWFJFHSA-N 1 2 386.540 3.767 20 30 GHEDLO C[C@H](c1nc2ccccc2s1)N1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000604271931 862054369 /nfs/dbraw/zinc/05/43/69/862054369.db2.gz AWNSAFDDGIBYCD-QGZVFWFLSA-N 1 2 392.528 3.926 20 30 GHEDLO COc1cc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)ccc1OC(C)C ZINC000434978844 849966307 /nfs/dbraw/zinc/96/63/07/849966307.db2.gz PQOWBXHYZMCNGU-NRFANRHFSA-N 1 2 379.504 3.865 20 30 GHEDLO CC(C)c1ccc(CCNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000514714674 850203512 /nfs/dbraw/zinc/20/35/12/850203512.db2.gz IXZDLBIVFBTGIN-UHFFFAOYSA-N 1 2 390.531 3.752 20 30 GHEDLO N#Cc1ccc([C@H]([NH2+]Cc2ccc(Oc3ccccc3F)c(F)c2)C(N)=O)cc1 ZINC000439627129 850211060 /nfs/dbraw/zinc/21/10/60/850211060.db2.gz UAHNCCDPSQUFMK-NRFANRHFSA-N 1 2 393.393 3.945 20 30 GHEDLO N#Cc1ccccc1/C=C\C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000732140088 862105245 /nfs/dbraw/zinc/10/52/45/862105245.db2.gz ZBJDRQJIARLKCV-RXQFDZFGSA-N 1 2 381.426 3.630 20 30 GHEDLO N#Cc1ccccc1/C=C\C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000732140088 862105256 /nfs/dbraw/zinc/10/52/56/862105256.db2.gz ZBJDRQJIARLKCV-RXQFDZFGSA-N 1 2 381.426 3.630 20 30 GHEDLO N#C[C@@H]1C[N@@H+](Cc2ccccc2Oc2cccnc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513976422 851068782 /nfs/dbraw/zinc/06/87/82/851068782.db2.gz WSXLPIGNQKNLJL-HOYKHHGWSA-N 1 2 396.450 3.719 20 30 GHEDLO N#C[C@@H]1C[N@H+](Cc2ccccc2Oc2cccnc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513976422 851068791 /nfs/dbraw/zinc/06/87/91/851068791.db2.gz WSXLPIGNQKNLJL-HOYKHHGWSA-N 1 2 396.450 3.719 20 30 GHEDLO N#Cc1cccc(-c2cc(C(=O)N3CC[NH2+][C@H](c4cccc(Cl)c4)C3)on2)c1 ZINC000513993565 851093379 /nfs/dbraw/zinc/09/33/79/851093379.db2.gz CFSBBJUFEAKRRM-IBGZPJMESA-N 1 2 392.846 3.653 20 30 GHEDLO C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000425081707 851132577 /nfs/dbraw/zinc/13/25/77/851132577.db2.gz DTBKIULOQUYNHH-WFASDCNBSA-N 1 2 376.382 3.789 20 30 GHEDLO CC[C@@H]1C[N@H+](CCNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CCO1 ZINC000488309531 851397214 /nfs/dbraw/zinc/39/72/14/851397214.db2.gz DUBHHSCSDIMWRA-LJQANCHMSA-N 1 2 394.475 3.583 20 30 GHEDLO CC[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CCO1 ZINC000488309531 851397225 /nfs/dbraw/zinc/39/72/25/851397225.db2.gz DUBHHSCSDIMWRA-LJQANCHMSA-N 1 2 394.475 3.583 20 30 GHEDLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)Nc2cccc(CC#N)c2)c2ccc(Cl)cc2)C1 ZINC000515784471 851473616 /nfs/dbraw/zinc/47/36/16/851473616.db2.gz CNKMLDOQVZZBFT-UXHICEINSA-N 1 2 398.894 3.599 20 30 GHEDLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)Nc2cccc(CC#N)c2)c2ccc(Cl)cc2)C1 ZINC000515784471 851473622 /nfs/dbraw/zinc/47/36/22/851473622.db2.gz CNKMLDOQVZZBFT-UXHICEINSA-N 1 2 398.894 3.599 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000550096500 851536462 /nfs/dbraw/zinc/53/64/62/851536462.db2.gz LMQWJOUOZIVQHW-HRAATJIYSA-N 1 2 386.467 3.651 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000550096500 851536469 /nfs/dbraw/zinc/53/64/69/851536469.db2.gz LMQWJOUOZIVQHW-HRAATJIYSA-N 1 2 386.467 3.651 20 30 GHEDLO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H](O)C(C)(C)C2)cc1OC ZINC000438339720 852284151 /nfs/dbraw/zinc/28/41/51/852284151.db2.gz FIMMQRJMWMROHK-INIZCTEOSA-N 1 2 384.314 3.615 20 30 GHEDLO C=CCOc1c(Br)cc(C[N@H+]2CC[C@H](O)C(C)(C)C2)cc1OC ZINC000438339720 852284163 /nfs/dbraw/zinc/28/41/63/852284163.db2.gz FIMMQRJMWMROHK-INIZCTEOSA-N 1 2 384.314 3.615 20 30 GHEDLO C=CCOc1cccc(NC(=O)[C@@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000517717443 852301156 /nfs/dbraw/zinc/30/11/56/852301156.db2.gz LSAUDENKMDELCA-QGZVFWFLSA-N 1 2 383.467 3.540 20 30 GHEDLO N#Cc1cccnc1N1CC[NH+](Cc2ccccc2OCc2ccccc2)CC1 ZINC000506244530 852449339 /nfs/dbraw/zinc/44/93/39/852449339.db2.gz AQDBFCOHVAEZNS-UHFFFAOYSA-N 1 2 384.483 3.854 20 30 GHEDLO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[N@H+](C)[C@@H]3CCOC3)sc2C1 ZINC000427024386 852644651 /nfs/dbraw/zinc/64/46/51/852644651.db2.gz SLSVVBVSBIXLRZ-LSDHHAIUSA-N 1 2 389.565 3.820 20 30 GHEDLO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[N@@H+](C)[C@@H]3CCOC3)sc2C1 ZINC000427024386 852644656 /nfs/dbraw/zinc/64/46/56/852644656.db2.gz SLSVVBVSBIXLRZ-LSDHHAIUSA-N 1 2 389.565 3.820 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)c2coc(C3CCOCC3)n2)[C@H]1c1ccc(F)c(F)c1 ZINC000329914433 862418252 /nfs/dbraw/zinc/41/82/52/862418252.db2.gz PEKJOZDWKHVVRD-FUHWJXTLSA-N 1 2 391.418 3.597 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)c2coc(C3CCOCC3)n2)[C@H]1c1ccc(F)c(F)c1 ZINC000329914433 862418259 /nfs/dbraw/zinc/41/82/59/862418259.db2.gz PEKJOZDWKHVVRD-FUHWJXTLSA-N 1 2 391.418 3.597 20 30 GHEDLO NC(=[NH+]OCC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccc(F)cc1 ZINC000029464410 853120017 /nfs/dbraw/zinc/12/00/17/853120017.db2.gz FORHJZQHBQDTJQ-UHFFFAOYSA-N 1 2 379.391 3.894 20 30 GHEDLO Cc1[nH+]c[nH]c1CNC(=O)C1CCN(c2ncnc3sc(C)c(C)c32)CC1 ZINC000329944266 862445274 /nfs/dbraw/zinc/44/52/74/862445274.db2.gz WPZVHBCQARYTAI-UHFFFAOYSA-N 1 2 384.509 3.713 20 30 GHEDLO C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000517061567 853316704 /nfs/dbraw/zinc/31/67/04/853316704.db2.gz CFSWOSKLEZEABO-GOSISDBHSA-N 1 2 391.368 3.953 20 30 GHEDLO C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000517061567 853316707 /nfs/dbraw/zinc/31/67/07/853316707.db2.gz CFSWOSKLEZEABO-GOSISDBHSA-N 1 2 391.368 3.953 20 30 GHEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(CC(=O)Nc2sccc2C#N)CC1 ZINC000029685188 853362066 /nfs/dbraw/zinc/36/20/66/853362066.db2.gz JRKLXGWCEXTIOI-AWEZNQCLSA-N 1 2 388.924 3.590 20 30 GHEDLO N#Cc1ccc(CN2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)nc1 ZINC000518471461 853387169 /nfs/dbraw/zinc/38/71/69/853387169.db2.gz CGATUJNAWICDPQ-UHFFFAOYSA-N 1 2 375.303 3.620 20 30 GHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(c2ccccc2Br)CC1 ZINC000439267502 853486398 /nfs/dbraw/zinc/48/63/98/853486398.db2.gz SGWVEXWLKYGSGL-LJQANCHMSA-N 1 2 392.341 3.683 20 30 GHEDLO N#Cc1ccc(Oc2ccc(C(=O)NCCCCNc3cccc[nH+]3)cc2)nc1 ZINC000609518887 854489068 /nfs/dbraw/zinc/48/90/68/854489068.db2.gz ULYWGXKPWKSYFA-UHFFFAOYSA-N 1 2 387.443 3.763 20 30 GHEDLO O=C(Nc1cccc(-n2cccn2)c1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000328660610 854494403 /nfs/dbraw/zinc/49/44/03/854494403.db2.gz VQXSKSXYGAXOSV-QGZVFWFLSA-N 1 2 390.491 3.830 20 30 GHEDLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1coc(C2CCOCC2)n1 ZINC000328819958 854550272 /nfs/dbraw/zinc/55/02/72/854550272.db2.gz QPAULOLPLIAUGD-UHFFFAOYSA-N 1 2 384.480 3.849 20 30 GHEDLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000328799920 854562115 /nfs/dbraw/zinc/56/21/15/854562115.db2.gz HSHVDSLMPADIJF-AEFFLSMTSA-N 1 2 378.476 3.506 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cncc3C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000328858766 854581409 /nfs/dbraw/zinc/58/14/09/854581409.db2.gz UXXOSOVWXONIPP-JEBQAFNWSA-N 1 2 376.863 3.640 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cncc3C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000328858766 854581415 /nfs/dbraw/zinc/58/14/15/854581415.db2.gz UXXOSOVWXONIPP-JEBQAFNWSA-N 1 2 376.863 3.640 20 30 GHEDLO CN1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000328858766 854581424 /nfs/dbraw/zinc/58/14/24/854581424.db2.gz UXXOSOVWXONIPP-JEBQAFNWSA-N 1 2 376.863 3.640 20 30 GHEDLO C=CCC1(c2nc([C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H](C)O3)no2)CCOCC1 ZINC000665012918 854785312 /nfs/dbraw/zinc/78/53/12/854785312.db2.gz WBVKSHIACVFZLS-MJGOQNOKSA-N 1 2 383.492 3.656 20 30 GHEDLO C=CCC1(c2nc([C@@H]3C[N@H+](Cc4ccccc4)C[C@@H](C)O3)no2)CCOCC1 ZINC000665012918 854785322 /nfs/dbraw/zinc/78/53/22/854785322.db2.gz WBVKSHIACVFZLS-MJGOQNOKSA-N 1 2 383.492 3.656 20 30 GHEDLO C[C@@H]1CCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)C[C@H]1n1cc[nH+]c1 ZINC000130130050 855245714 /nfs/dbraw/zinc/24/57/14/855245714.db2.gz RAYCGCOJNGKILA-XMSQKQJNSA-N 1 2 385.471 3.793 20 30 GHEDLO N#Cc1ccncc1N1CC[NH+](Cc2cnc(CCc3ccccc3)s2)CC1 ZINC000590654490 855534945 /nfs/dbraw/zinc/53/49/45/855534945.db2.gz NJTPRGKACRIYOO-UHFFFAOYSA-N 1 2 389.528 3.517 20 30 GHEDLO C[N@@H+]1CCO[C@@H]([C@H](Nc2ccc(Cl)c(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000301852038 855771427 /nfs/dbraw/zinc/77/14/27/855771427.db2.gz AVBZZQWMSJKXAC-SJLPKXTDSA-N 1 2 377.275 3.744 20 30 GHEDLO C[N@H+]1CCO[C@@H]([C@H](Nc2ccc(Cl)c(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000301852038 855771431 /nfs/dbraw/zinc/77/14/31/855771431.db2.gz AVBZZQWMSJKXAC-SJLPKXTDSA-N 1 2 377.275 3.744 20 30 GHEDLO CSc1ccc(NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000507788687 855813999 /nfs/dbraw/zinc/81/39/99/855813999.db2.gz OVVPXIJXABVQHM-UHFFFAOYSA-N 1 2 381.501 3.762 20 30 GHEDLO Cc1ccc(N2CC[NH+]([C@H](C)c3ccc(Br)cc3)CC2)nc1C#N ZINC000302601467 855889722 /nfs/dbraw/zinc/88/97/22/855889722.db2.gz CDJXUWZHZPMFOJ-OAHLLOKOSA-N 1 2 385.309 3.907 20 30 GHEDLO Cc1cc(C#N)ccc1C[NH+]1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000186169734 856090594 /nfs/dbraw/zinc/09/05/94/856090594.db2.gz HKUYOBTUHDFGGC-UHFFFAOYSA-N 1 2 387.405 3.844 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)N2CCC(CC#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000542851426 856138002 /nfs/dbraw/zinc/13/80/02/856138002.db2.gz SNZFPAJFIDIPQV-MSOLQXFVSA-N 1 2 378.879 3.560 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)N2CCC(CC#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000542851426 856138003 /nfs/dbraw/zinc/13/80/03/856138003.db2.gz SNZFPAJFIDIPQV-MSOLQXFVSA-N 1 2 378.879 3.560 20 30 GHEDLO CSc1ccc(NC(=O)C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000171610096 856201866 /nfs/dbraw/zinc/20/18/66/856201866.db2.gz IZJWQTHEJRRYGP-UHFFFAOYSA-N 1 2 381.501 3.762 20 30 GHEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)N[C@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000509224250 856239890 /nfs/dbraw/zinc/23/98/90/856239890.db2.gz IGAMSDWHHPVTCF-QZTJIDSGSA-N 1 2 392.503 3.716 20 30 GHEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)N[C@@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000509224257 856240080 /nfs/dbraw/zinc/24/00/80/856240080.db2.gz IGAMSDWHHPVTCF-ZWKOTPCHSA-N 1 2 392.503 3.716 20 30 GHEDLO CC(C)CC[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)c(F)c3)c2C1 ZINC000427782824 856732893 /nfs/dbraw/zinc/73/28/93/856732893.db2.gz LGDLLEDITRIXKD-UHFFFAOYSA-N 1 2 387.480 3.860 20 30 GHEDLO CC(C)CC[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)c(F)c3)c2C1 ZINC000427782824 856732897 /nfs/dbraw/zinc/73/28/97/856732897.db2.gz LGDLLEDITRIXKD-UHFFFAOYSA-N 1 2 387.480 3.860 20 30 GHEDLO C[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1)[N@@H+]1CCc2ccccc2C1 ZINC000760973616 856867090 /nfs/dbraw/zinc/86/70/90/856867090.db2.gz MFXAEHFOKDZKQP-KXBFYZLASA-N 1 2 388.496 3.828 20 30 GHEDLO C[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1)[N@H+]1CCc2ccccc2C1 ZINC000760973616 856867216 /nfs/dbraw/zinc/86/72/16/856867216.db2.gz MFXAEHFOKDZKQP-KXBFYZLASA-N 1 2 388.496 3.828 20 30 GHEDLO COc1cccc(COc2cccc(Cl)c2C[N@@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592521716 856917751 /nfs/dbraw/zinc/91/77/51/856917751.db2.gz BJODMUMTHARNBL-OAQYLSRUSA-N 1 2 386.879 3.778 20 30 GHEDLO COc1cccc(COc2cccc(Cl)c2C[N@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592521716 856917761 /nfs/dbraw/zinc/91/77/61/856917761.db2.gz BJODMUMTHARNBL-OAQYLSRUSA-N 1 2 386.879 3.778 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542938393 856968345 /nfs/dbraw/zinc/96/83/45/856968345.db2.gz OIFKNQPKQABTFG-HKUYNNGSSA-N 1 2 388.393 3.933 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542938393 856968355 /nfs/dbraw/zinc/96/83/55/856968355.db2.gz OIFKNQPKQABTFG-HKUYNNGSSA-N 1 2 388.393 3.933 20 30 GHEDLO COc1cc(CNC(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)ccc1C#N ZINC000554961176 857199759 /nfs/dbraw/zinc/19/97/59/857199759.db2.gz VRJYISZADHOIHF-CQSZACIVSA-N 1 2 399.520 3.577 20 30 GHEDLO COc1cc(CNC(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)ccc1C#N ZINC000554961176 857199762 /nfs/dbraw/zinc/19/97/62/857199762.db2.gz VRJYISZADHOIHF-CQSZACIVSA-N 1 2 399.520 3.577 20 30 GHEDLO N#Cc1cc(F)c(CNc2[nH+]c3ccccc3n2CCc2ccccn2)c(F)c1 ZINC000485968354 857260878 /nfs/dbraw/zinc/26/08/78/857260878.db2.gz FMXZECLGQUGKEK-UHFFFAOYSA-N 1 2 389.409 3.858 20 30 GHEDLO C=CCOc1ccc(CNC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000672557016 857467362 /nfs/dbraw/zinc/46/73/62/857467362.db2.gz ISQBKOKZNMRAJE-OAQYLSRUSA-N 1 2 390.487 3.768 20 30 GHEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2ncc(C#N)cc2Cl)c(C)c1 ZINC000442187140 857576983 /nfs/dbraw/zinc/57/69/83/857576983.db2.gz UWFCYSJTJHSAGL-GOSISDBHSA-N 1 2 379.851 3.591 20 30 GHEDLO COc1cc(C[NH2+]CC2(C#N)CCCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000593649452 857648063 /nfs/dbraw/zinc/64/80/63/857648063.db2.gz GFKZHIJKKLETHG-UHFFFAOYSA-N 1 2 387.358 3.718 20 30 GHEDLO Cc1ccc(C[NH+]2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)cn1 ZINC000593968412 857834645 /nfs/dbraw/zinc/83/46/45/857834645.db2.gz FFKUMUDXLALZCP-LJQANCHMSA-N 1 2 385.309 3.535 20 30 GHEDLO N#CCCCCC(=O)N(CCCn1cc[nH+]c1)c1ccc(Br)cn1 ZINC000594047160 857852204 /nfs/dbraw/zinc/85/22/04/857852204.db2.gz FMWRDTIUDGNAOL-UHFFFAOYSA-N 1 2 390.285 3.548 20 30 GHEDLO N#Cc1ccc(C2([NH2+]Cc3ncc(I)s3)CCC2)cc1 ZINC000594518513 858207896 /nfs/dbraw/zinc/20/78/96/858207896.db2.gz HEEPWYAIABGYLR-UHFFFAOYSA-N 1 2 395.269 3.788 20 30 GHEDLO N#Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)nc1 ZINC000066841769 858318863 /nfs/dbraw/zinc/31/88/63/858318863.db2.gz HCLDQOVSRCXVKZ-UHFFFAOYSA-N 1 2 389.286 3.654 20 30 GHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+][C@@H](C)c2cscn2)c1C#N ZINC000595667750 858642750 /nfs/dbraw/zinc/64/27/50/858642750.db2.gz IPESWBQMDPVGSF-HNNXBMFYSA-N 1 2 393.516 3.771 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593117421 858660826 /nfs/dbraw/zinc/66/08/26/858660826.db2.gz NBKALOPNELVQAW-SGTLLEGYSA-N 1 2 379.476 3.947 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593117421 858660829 /nfs/dbraw/zinc/66/08/29/858660829.db2.gz NBKALOPNELVQAW-SGTLLEGYSA-N 1 2 379.476 3.947 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCC3(C#N)CCCCC3)n2)C1 ZINC000596478096 858907073 /nfs/dbraw/zinc/90/70/73/858907073.db2.gz FYUQCRADIHKHPX-OAHLLOKOSA-N 1 2 375.542 3.971 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCC3(C#N)CCCCC3)n2)C1 ZINC000596478096 858907074 /nfs/dbraw/zinc/90/70/74/858907074.db2.gz FYUQCRADIHKHPX-OAHLLOKOSA-N 1 2 375.542 3.971 20 30 GHEDLO COC[C@H]([NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(C)o1 ZINC000184704052 858985004 /nfs/dbraw/zinc/98/50/04/858985004.db2.gz KKZIUZGFQYGMSE-PBHICJAKSA-N 1 2 387.505 3.756 20 30 GHEDLO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC000596845276 859091280 /nfs/dbraw/zinc/09/12/80/859091280.db2.gz DFONPYUSLXLPLU-FQEVSTJZSA-N 1 2 388.446 3.685 20 30 GHEDLO C=CCn1c(-c2ccco2)nn(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1=S ZINC000840112907 859197531 /nfs/dbraw/zinc/19/75/31/859197531.db2.gz CFLDSPYTTFTTRY-GVDBMIGSSA-N 1 2 388.537 3.833 20 30 GHEDLO C=CCn1c(-c2ccco2)nn(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1=S ZINC000840112907 859197535 /nfs/dbraw/zinc/19/75/35/859197535.db2.gz CFLDSPYTTFTTRY-GVDBMIGSSA-N 1 2 388.537 3.833 20 30 GHEDLO C=CCn1c(-c2ccco2)nn(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1=S ZINC000840112908 859197610 /nfs/dbraw/zinc/19/76/10/859197610.db2.gz CFLDSPYTTFTTRY-ZACQAIPSSA-N 1 2 388.537 3.833 20 30 GHEDLO C=CCn1c(-c2ccco2)nn(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1=S ZINC000840112908 859197615 /nfs/dbraw/zinc/19/76/15/859197615.db2.gz CFLDSPYTTFTTRY-ZACQAIPSSA-N 1 2 388.537 3.833 20 30 GHEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000474189004 859568402 /nfs/dbraw/zinc/56/84/02/859568402.db2.gz JUSFTOQFZCMUPH-YVWKXTFCSA-N 1 2 384.442 3.584 20 30 GHEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000474189004 859568410 /nfs/dbraw/zinc/56/84/10/859568410.db2.gz JUSFTOQFZCMUPH-YVWKXTFCSA-N 1 2 384.442 3.584 20 30 GHEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CC[C@@H](C(F)F)C2)c1C#N ZINC000611179396 859634286 /nfs/dbraw/zinc/63/42/86/859634286.db2.gz CFPZUGCJQJIJLQ-CQSZACIVSA-N 1 2 390.409 3.630 20 30 GHEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CC[C@@H](C(F)F)C2)c1C#N ZINC000611179396 859634289 /nfs/dbraw/zinc/63/42/89/859634289.db2.gz CFPZUGCJQJIJLQ-CQSZACIVSA-N 1 2 390.409 3.630 20 30 GHEDLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cn1 ZINC000611209212 859644746 /nfs/dbraw/zinc/64/47/46/859644746.db2.gz OFTUFEMQPBVJTN-CQSZACIVSA-N 1 2 398.532 3.751 20 30 GHEDLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cn1 ZINC000611209212 859644748 /nfs/dbraw/zinc/64/47/48/859644748.db2.gz OFTUFEMQPBVJTN-CQSZACIVSA-N 1 2 398.532 3.751 20 30 GHEDLO C=CCOc1ccc(-c2nn(C[N@@H+]3CCC[C@@H]4COCC[C@@H]43)c(=S)o2)cc1 ZINC000765077410 859769071 /nfs/dbraw/zinc/76/90/71/859769071.db2.gz IMSCPNYITJPBEH-AEFFLSMTSA-N 1 2 387.505 3.896 20 30 GHEDLO C=CCOc1ccc(-c2nn(C[N@H+]3CCC[C@@H]4COCC[C@@H]43)c(=S)o2)cc1 ZINC000765077410 859769078 /nfs/dbraw/zinc/76/90/78/859769078.db2.gz IMSCPNYITJPBEH-AEFFLSMTSA-N 1 2 387.505 3.896 20 30 GHEDLO CC(C)C[C@H](C(=O)N[C@@H](C#N)c1ccccc1Br)n1cc[nH+]c1 ZINC000602099284 859775708 /nfs/dbraw/zinc/77/57/08/859775708.db2.gz ZEBKOXWOKQIUKP-JKSUJKDBSA-N 1 2 375.270 3.614 20 30 GHEDLO N#Cc1ccc(CSc2ccccc2C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000123448948 859968263 /nfs/dbraw/zinc/96/82/63/859968263.db2.gz XSRJJZMSNVJFLC-UHFFFAOYSA-N 1 2 376.485 3.867 20 30 GHEDLO CCOC(=O)[C@@H](Cc1cccc(Cl)c1)[NH2+]CCCC1(C#N)CCOCC1 ZINC000602936340 860362468 /nfs/dbraw/zinc/36/24/68/860362468.db2.gz CLDZYQTXNQKQBS-GOSISDBHSA-N 1 2 378.900 3.504 20 30 GHEDLO N#C[C@@]1(c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)CC2CCC1CC2 ZINC000904500914 860478602 /nfs/dbraw/zinc/47/86/02/860478602.db2.gz QREUAUGMPHLFOD-NZBFNNPHSA-N 1 2 378.476 3.540 20 30 GHEDLO C#CC[N@@H+](CC(=O)N(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1)C1CC1 ZINC000763956419 861137819 /nfs/dbraw/zinc/13/78/19/861137819.db2.gz NOLLXMXVAZLJQJ-SFHVURJKSA-N 1 2 389.499 3.556 20 30 GHEDLO C#CC[N@H+](CC(=O)N(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1)C1CC1 ZINC000763956419 861137822 /nfs/dbraw/zinc/13/78/22/861137822.db2.gz NOLLXMXVAZLJQJ-SFHVURJKSA-N 1 2 389.499 3.556 20 30 GHEDLO CC[C@H](C#N)Oc1cccc(CNC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)c1 ZINC000733852060 863219224 /nfs/dbraw/zinc/21/92/24/863219224.db2.gz QZJNHBCQOKATNU-GOSISDBHSA-N 1 2 396.491 3.730 20 30 GHEDLO N#CC1CCC(CNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CC1 ZINC000281601234 863262584 /nfs/dbraw/zinc/26/25/84/863262584.db2.gz AIKXOWKEURYJBR-MZZRDLGESA-N 1 2 377.492 3.741 20 30 GHEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000120587702 881679292 /nfs/dbraw/zinc/67/92/92/881679292.db2.gz PTPANWQNNULZNA-IBGZPJMESA-N 1 2 387.487 3.639 20 30 GHEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000120587702 881679297 /nfs/dbraw/zinc/67/92/97/881679297.db2.gz PTPANWQNNULZNA-IBGZPJMESA-N 1 2 387.487 3.639 20 30 GHEDLO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000554222178 863922039 /nfs/dbraw/zinc/92/20/39/863922039.db2.gz FQQYTSBOWGHRES-GDBMZVCRSA-N 1 2 392.341 3.838 20 30 GHEDLO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000554222178 863922048 /nfs/dbraw/zinc/92/20/48/863922048.db2.gz FQQYTSBOWGHRES-GDBMZVCRSA-N 1 2 392.341 3.838 20 30 GHEDLO C=CCn1c(-c2ccoc2)nnc1N1CC[NH+]([C@H](C)c2ccc(F)cc2F)CC1 ZINC000508471844 864267236 /nfs/dbraw/zinc/26/72/36/864267236.db2.gz IBLOZZRMDMTYIJ-OAHLLOKOSA-N 1 2 399.445 3.886 20 30 GHEDLO COc1ncc(C[NH+]2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)s1 ZINC000897053985 864369693 /nfs/dbraw/zinc/36/96/93/864369693.db2.gz GAGHAKNWXHASBE-YUMQZZPRSA-N 1 2 396.303 3.755 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(Cc3sccc3Br)CC2)cc1 ZINC000063482682 864843810 /nfs/dbraw/zinc/84/38/10/864843810.db2.gz RGGCQHHITKAKMC-UHFFFAOYSA-N 1 2 376.323 3.700 20 30 GHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000475365517 864869308 /nfs/dbraw/zinc/86/93/08/864869308.db2.gz DUSIVPDZBXSEIF-UHFFFAOYSA-N 1 2 382.414 3.932 20 30 GHEDLO C=CCOc1cc(OC)ccc1-c1nc(Cc2cn3cccc(C)c3[nH+]2)no1 ZINC000554799947 864935321 /nfs/dbraw/zinc/93/53/21/864935321.db2.gz YNXNJLQSOPVAKT-UHFFFAOYSA-N 1 2 376.416 3.857 20 30 GHEDLO CC(=O)NCC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1ccsc1 ZINC000554829498 864996356 /nfs/dbraw/zinc/99/63/56/864996356.db2.gz DENSMHDEXUEOHT-UHFFFAOYSA-N 1 2 380.435 3.757 20 30 GHEDLO CC(=O)NCC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1ccsc1 ZINC000554829498 864996359 /nfs/dbraw/zinc/99/63/59/864996359.db2.gz DENSMHDEXUEOHT-UHFFFAOYSA-N 1 2 380.435 3.757 20 30 GHEDLO C=CCOc1ccc(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)cc1 ZINC000174194619 865519966 /nfs/dbraw/zinc/51/99/66/865519966.db2.gz NTHMCVNDOVXICJ-UHFFFAOYSA-N 1 2 379.504 3.716 20 30 GHEDLO C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000508480347 865589936 /nfs/dbraw/zinc/58/99/36/865589936.db2.gz FWUTURZOLGDXIB-FQEVSTJZSA-N 1 2 388.519 3.728 20 30 GHEDLO CS(=O)(=O)c1cccc([C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)c2cc(F)ccc2F)c1 ZINC000555331751 865909801 /nfs/dbraw/zinc/90/98/01/865909801.db2.gz QNKXXOYWFSSYCZ-PSGMQZRDSA-N 1 2 390.455 3.740 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)Cc2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000456026740 866035372 /nfs/dbraw/zinc/03/53/72/866035372.db2.gz XEHBBIZSSZCWGY-RTWAWAEBSA-N 1 2 397.469 3.967 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)C(C)(C)Cc2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000456026740 866035385 /nfs/dbraw/zinc/03/53/85/866035385.db2.gz XEHBBIZSSZCWGY-RTWAWAEBSA-N 1 2 397.469 3.967 20 30 GHEDLO CC[N@H+](C)[C@@H](C(=O)O[C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000741150476 866291127 /nfs/dbraw/zinc/29/11/27/866291127.db2.gz HESHSWCDWOAAIN-GHTZIAJQSA-N 1 2 393.487 3.558 20 30 GHEDLO CC[N@@H+](C)[C@@H](C(=O)O[C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000741150476 866291143 /nfs/dbraw/zinc/29/11/43/866291143.db2.gz HESHSWCDWOAAIN-GHTZIAJQSA-N 1 2 393.487 3.558 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186671686 866581252 /nfs/dbraw/zinc/58/12/52/866581252.db2.gz ONXFSCGGECOZHX-RCDICMHDSA-N 1 2 393.512 3.567 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186671686 866581265 /nfs/dbraw/zinc/58/12/65/866581265.db2.gz ONXFSCGGECOZHX-RCDICMHDSA-N 1 2 393.512 3.567 20 30 GHEDLO C[C@](C#N)(NC(=O)C[N@H+]1CC=C(c2ccccc2C(F)(F)F)CC1)C1CC1 ZINC000153638621 866998254 /nfs/dbraw/zinc/99/82/54/866998254.db2.gz WUQGRZHAYQQOIZ-LJQANCHMSA-N 1 2 377.410 3.603 20 30 GHEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CC=C(c2ccccc2C(F)(F)F)CC1)C1CC1 ZINC000153638621 866998267 /nfs/dbraw/zinc/99/82/67/866998267.db2.gz WUQGRZHAYQQOIZ-LJQANCHMSA-N 1 2 377.410 3.603 20 30 GHEDLO C#CCCOc1ccc(C[N@H+]2CCC[C@@H]2c2nc(C(=O)OC)c(C)s2)cc1 ZINC000793239689 882038981 /nfs/dbraw/zinc/03/89/81/882038981.db2.gz HYRCAGCJNFVIKU-GOSISDBHSA-N 1 2 384.501 3.977 20 30 GHEDLO C#CCCOc1ccc(C[N@@H+]2CCC[C@@H]2c2nc(C(=O)OC)c(C)s2)cc1 ZINC000793239689 882038999 /nfs/dbraw/zinc/03/89/99/882038999.db2.gz HYRCAGCJNFVIKU-GOSISDBHSA-N 1 2 384.501 3.977 20 30 GHEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)C[C@H](CC#N)c3ccccc3)CC2)cc1 ZINC000793563281 882270167 /nfs/dbraw/zinc/27/01/67/882270167.db2.gz VMJMFFMLPLZFEQ-FQEVSTJZSA-N 1 2 390.531 3.925 20 30 GHEDLO CC[N@H+](C)[C@@H](C(=O)OCc1c(C#N)c(C)nn1-c1ccccc1)c1ccccc1 ZINC000745102605 869293140 /nfs/dbraw/zinc/29/31/40/869293140.db2.gz XJLUMZSLWSVIGV-JOCHJYFZSA-N 1 2 388.471 3.789 20 30 GHEDLO CC[N@@H+](C)[C@@H](C(=O)OCc1c(C#N)c(C)nn1-c1ccccc1)c1ccccc1 ZINC000745102605 869293154 /nfs/dbraw/zinc/29/31/54/869293154.db2.gz XJLUMZSLWSVIGV-JOCHJYFZSA-N 1 2 388.471 3.789 20 30 GHEDLO N#CCCN(C(=O)C[N@@H+]1CCC[C@@H]1CC(=O)c1cccs1)c1ccccc1 ZINC000121826764 882298203 /nfs/dbraw/zinc/29/82/03/882298203.db2.gz CIVIOZHMDKNBKF-GOSISDBHSA-N 1 2 381.501 3.732 20 30 GHEDLO N#CCCN(C(=O)C[N@H+]1CCC[C@@H]1CC(=O)c1cccs1)c1ccccc1 ZINC000121826764 882298221 /nfs/dbraw/zinc/29/82/21/882298221.db2.gz CIVIOZHMDKNBKF-GOSISDBHSA-N 1 2 381.501 3.732 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[C@H]3c3c(F)cccc3Cl)CC2)cc1 ZINC000524851255 869675690 /nfs/dbraw/zinc/67/56/90/869675690.db2.gz VGDBFSJNJOXXPW-MSOLQXFVSA-N 1 2 397.881 3.799 20 30 GHEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cnc(C2CCCCC2)s1 ZINC000539908885 870006540 /nfs/dbraw/zinc/00/65/40/870006540.db2.gz SBSSOJFUDZBELM-OAHLLOKOSA-N 1 2 382.537 3.563 20 30 GHEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cnc(C2CCCCC2)s1 ZINC000539908885 870006556 /nfs/dbraw/zinc/00/65/56/870006556.db2.gz SBSSOJFUDZBELM-OAHLLOKOSA-N 1 2 382.537 3.563 20 30 GHEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(OC)ccc1Br ZINC000508570419 870145338 /nfs/dbraw/zinc/14/53/38/870145338.db2.gz RMKJAAKHAWPRKH-UHFFFAOYSA-N 1 2 389.293 3.978 20 30 GHEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(OC)ccc1Br ZINC000508570419 870145346 /nfs/dbraw/zinc/14/53/46/870145346.db2.gz RMKJAAKHAWPRKH-UHFFFAOYSA-N 1 2 389.293 3.978 20 30 GHEDLO CC(C)[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccc([N+](=O)[O-])cc1 ZINC000441195733 871011423 /nfs/dbraw/zinc/01/14/23/871011423.db2.gz BGKPXBKVIIDGNH-UHFFFAOYSA-N 1 2 377.404 3.927 20 30 GHEDLO CC(C)[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccc([N+](=O)[O-])cc1 ZINC000441195733 871011435 /nfs/dbraw/zinc/01/14/35/871011435.db2.gz BGKPXBKVIIDGNH-UHFFFAOYSA-N 1 2 377.404 3.927 20 30 GHEDLO Cc1cc(C)nc(C[NH+]2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)c1 ZINC001168939651 871025408 /nfs/dbraw/zinc/02/54/08/871025408.db2.gz BKMSXGQSISYWNA-FQEVSTJZSA-N 1 2 399.336 3.843 20 30 GHEDLO Cc1cc(NC(=O)C[N@H+](C)CCC(C#N)(c2ccccc2)c2ccccc2)no1 ZINC000191437684 882470676 /nfs/dbraw/zinc/47/06/76/882470676.db2.gz FXVJBKDTGNUKKS-UHFFFAOYSA-N 1 2 388.471 3.753 20 30 GHEDLO Cc1cc(NC(=O)C[N@@H+](C)CCC(C#N)(c2ccccc2)c2ccccc2)no1 ZINC000191437684 882470684 /nfs/dbraw/zinc/47/06/84/882470684.db2.gz FXVJBKDTGNUKKS-UHFFFAOYSA-N 1 2 388.471 3.753 20 30 GHEDLO C=CCOc1ccccc1C[NH+]1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000508590902 871322824 /nfs/dbraw/zinc/32/28/24/871322824.db2.gz YLTTVRCNMOHQFW-UHFFFAOYSA-N 1 2 389.499 3.620 20 30 GHEDLO NC(=[NH+]OCc1c(F)cccc1[N+](=O)[O-])c1ccc(OCc2cccnc2)cc1 ZINC000103463072 872019101 /nfs/dbraw/zinc/01/91/01/872019101.db2.gz CYDOOHREFXYEHX-UHFFFAOYSA-N 1 2 396.378 3.545 20 30 GHEDLO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000618840821 872047913 /nfs/dbraw/zinc/04/79/13/872047913.db2.gz LTOPYELZISMKGJ-ZRBLBEILSA-N 1 2 397.482 3.970 20 30 GHEDLO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000766941674 872102428 /nfs/dbraw/zinc/10/24/28/872102428.db2.gz IYXGWABAANLKRS-WMLDXEAASA-N 1 2 379.485 3.741 20 30 GHEDLO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000766941674 872102435 /nfs/dbraw/zinc/10/24/35/872102435.db2.gz IYXGWABAANLKRS-WMLDXEAASA-N 1 2 379.485 3.741 20 30 GHEDLO C[C@@H](N1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1)C(F)(F)F ZINC000093882746 872458880 /nfs/dbraw/zinc/45/88/80/872458880.db2.gz MFYYERSGVRAUKO-MRXNPFEDSA-N 1 2 391.441 3.532 20 30 GHEDLO COc1ccc([C@H]([NH2+]CC(=O)NC2(C#N)CCC2)c2ccccc2Cl)cc1 ZINC000527117633 872700119 /nfs/dbraw/zinc/70/01/19/872700119.db2.gz QOSZMRMHLRSUNU-FQEVSTJZSA-N 1 2 383.879 3.590 20 30 GHEDLO Cc1cc(F)cc([C@]2(F)CC[N@H+](C[C@H](O)COc3ccc(CC#N)cc3)C2)c1 ZINC000619723808 872923616 /nfs/dbraw/zinc/92/36/16/872923616.db2.gz ZGROYAMILHXZTF-UNMCSNQZSA-N 1 2 386.442 3.511 20 30 GHEDLO Cc1cc(F)cc([C@]2(F)CC[N@@H+](C[C@H](O)COc3ccc(CC#N)cc3)C2)c1 ZINC000619723808 872923633 /nfs/dbraw/zinc/92/36/33/872923633.db2.gz ZGROYAMILHXZTF-UNMCSNQZSA-N 1 2 386.442 3.511 20 30 GHEDLO Cc1ccc([C@@]2(C)CC(=O)N(C[N@H+]3CC=C(c4ccc(C#N)cc4)CC3)C2=O)cc1 ZINC000767986812 873003416 /nfs/dbraw/zinc/00/34/16/873003416.db2.gz MSWVFQAXOBVVHW-RUZDIDTESA-N 1 2 399.494 3.630 20 30 GHEDLO Cc1ccc([C@@]2(C)CC(=O)N(C[N@@H+]3CC=C(c4ccc(C#N)cc4)CC3)C2=O)cc1 ZINC000767986812 873003434 /nfs/dbraw/zinc/00/34/34/873003434.db2.gz MSWVFQAXOBVVHW-RUZDIDTESA-N 1 2 399.494 3.630 20 30 GHEDLO C#CCOc1ccccc1CN[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000768231675 873181296 /nfs/dbraw/zinc/18/12/96/873181296.db2.gz PFZMQXSCHHRDHJ-VXKWHMMOSA-N 1 2 384.907 3.514 20 30 GHEDLO C#CCOc1ccccc1CN[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000768231675 873181302 /nfs/dbraw/zinc/18/13/02/873181302.db2.gz PFZMQXSCHHRDHJ-VXKWHMMOSA-N 1 2 384.907 3.514 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(NC(=O)c3oc(C)cc3C)CC2)c1C ZINC000527575111 873293896 /nfs/dbraw/zinc/29/38/96/873293896.db2.gz BRXQGZHJXFUYAN-UHFFFAOYSA-N 1 2 397.519 3.578 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccccc2OCc2ccncc2)c1 ZINC000768915329 873683221 /nfs/dbraw/zinc/68/32/21/873683221.db2.gz GEFLGQKSSBVGPB-UHFFFAOYSA-N 1 2 385.467 3.712 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccccc2OCc2ccncc2)c1 ZINC000768915329 873683225 /nfs/dbraw/zinc/68/32/25/873683225.db2.gz GEFLGQKSSBVGPB-UHFFFAOYSA-N 1 2 385.467 3.712 20 30 GHEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccccc2nc1N1CCOCC1 ZINC000769146450 873840302 /nfs/dbraw/zinc/84/03/02/873840302.db2.gz ZRCCDXJXKWHCFD-UHFFFAOYSA-N 1 2 389.474 3.846 20 30 GHEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1cc2ccccc2nc1N1CCOCC1 ZINC000769146450 873840319 /nfs/dbraw/zinc/84/03/19/873840319.db2.gz ZRCCDXJXKWHCFD-UHFFFAOYSA-N 1 2 389.474 3.846 20 30 GHEDLO C#CC[N@@H+](Cc1nc(C)ccc1O)[C@H]1CCOc2ccc(Br)cc21 ZINC000769402924 874022172 /nfs/dbraw/zinc/02/21/72/874022172.db2.gz AMWWSDKLLSOPLK-KRWDZBQOSA-N 1 2 387.277 3.817 20 30 GHEDLO C#CC[N@H+](Cc1nc(C)ccc1O)[C@H]1CCOc2ccc(Br)cc21 ZINC000769402924 874022189 /nfs/dbraw/zinc/02/21/89/874022189.db2.gz AMWWSDKLLSOPLK-KRWDZBQOSA-N 1 2 387.277 3.817 20 30 GHEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2cc(C#N)[nH]c2C)cc1 ZINC000448906328 874179214 /nfs/dbraw/zinc/17/92/14/874179214.db2.gz DHRBPFWVFVYJKA-UHFFFAOYSA-N 1 2 391.475 3.523 20 30 GHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000443645085 874697983 /nfs/dbraw/zinc/69/79/83/874697983.db2.gz HIAVJWQUKQBQHG-OXQOHEQNSA-N 1 2 393.418 3.932 20 30 GHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000443645085 874697987 /nfs/dbraw/zinc/69/79/87/874697987.db2.gz HIAVJWQUKQBQHG-OXQOHEQNSA-N 1 2 393.418 3.932 20 30 GHEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000770688539 874837706 /nfs/dbraw/zinc/83/77/06/874837706.db2.gz MMPPZBYJCDXGHI-ZDGAQAAHSA-N 1 2 388.511 3.998 20 30 GHEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000770688539 874837716 /nfs/dbraw/zinc/83/77/16/874837716.db2.gz MMPPZBYJCDXGHI-ZDGAQAAHSA-N 1 2 388.511 3.998 20 30 GHEDLO C=CC1CCN(C(=O)N[C@@H]2CC[N@@H+](CC)[C@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC000542048228 874851130 /nfs/dbraw/zinc/85/11/30/874851130.db2.gz VTKRJYSEFROQAT-MJGOQNOKSA-N 1 2 381.442 3.847 20 30 GHEDLO C=CC1CCN(C(=O)N[C@@H]2CC[N@H+](CC)[C@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC000542048228 874851142 /nfs/dbraw/zinc/85/11/42/874851142.db2.gz VTKRJYSEFROQAT-MJGOQNOKSA-N 1 2 381.442 3.847 20 30 GHEDLO O=S(=O)(Nc1ccccc1)c1ccc(NN=Cc2cccc3[nH+]ccn32)cc1 ZINC000771100863 875040172 /nfs/dbraw/zinc/04/01/72/875040172.db2.gz OCVKIFYUNSOLGP-UHFFFAOYSA-N 1 2 391.456 3.581 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@@H](C)c2ncccc2F)c1C#N ZINC000528827926 875109647 /nfs/dbraw/zinc/10/96/47/875109647.db2.gz KMZBNOREVQIMJE-AWEZNQCLSA-N 1 2 383.471 3.915 20 30 GHEDLO C=CCN(Cc1cc(Br)ccc1F)C(=O)CCCn1cc[nH+]c1 ZINC000623596289 875236239 /nfs/dbraw/zinc/23/62/39/875236239.db2.gz IGLXWTXRUOWGKS-UHFFFAOYSA-N 1 2 380.261 3.780 20 30 GHEDLO CC[C@H](Nc1nc(Cl)c(C#N)s1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000804553402 883018114 /nfs/dbraw/zinc/01/81/14/883018114.db2.gz RPUMEAPDMVFGPR-GJZGRUSLSA-N 1 2 376.913 3.760 20 30 GHEDLO CC[C@H](Nc1nc(Cl)c(C#N)s1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000804553402 883018131 /nfs/dbraw/zinc/01/81/31/883018131.db2.gz RPUMEAPDMVFGPR-GJZGRUSLSA-N 1 2 376.913 3.760 20 30 GHEDLO CCS[C@@H]1CCC[C@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])C1 ZINC000176448946 877529176 /nfs/dbraw/zinc/52/91/76/877529176.db2.gz NQDAZEUFEPDGIC-LSDHHAIUSA-N 1 2 384.549 3.710 20 30 GHEDLO N#Cc1c(C#N)c(N2CC[NH+](Cc3ccsc3)CC2)nc2c1CCCCCC2 ZINC000530474139 877876081 /nfs/dbraw/zinc/87/60/81/877876081.db2.gz YPOJTBYPUBLTMG-UHFFFAOYSA-N 1 2 391.544 3.868 20 30 GHEDLO C[C@H]1CN(CC(F)(F)F)CC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000451877843 878611263 /nfs/dbraw/zinc/61/12/63/878611263.db2.gz FFDYQXXRRZKBIC-GFCCVEGCSA-N 1 2 390.247 3.637 20 30 GHEDLO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000451877843 878611279 /nfs/dbraw/zinc/61/12/79/878611279.db2.gz FFDYQXXRRZKBIC-GFCCVEGCSA-N 1 2 390.247 3.637 20 30 GHEDLO Cn1c(CC#N)nn(C[N@H+](Cc2cccs2)C2Cc3ccccc3C2)c1=S ZINC000789517011 879073849 /nfs/dbraw/zinc/07/38/49/879073849.db2.gz WCZBVOKOZSVOLC-UHFFFAOYSA-N 1 2 395.557 3.706 20 30 GHEDLO Cn1c(CC#N)nn(C[N@@H+](Cc2cccs2)C2Cc3ccccc3C2)c1=S ZINC000789517011 879073863 /nfs/dbraw/zinc/07/38/63/879073863.db2.gz WCZBVOKOZSVOLC-UHFFFAOYSA-N 1 2 395.557 3.706 20 30 GHEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2cc3cccc(Cl)c3nc2Cl)C1=O ZINC001275152638 912430193 /nfs/dbraw/zinc/43/01/93/912430193.db2.gz MYWBGNTZXUXPIO-FQEVSTJZSA-N 1 2 388.298 3.742 20 30 GHEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2cc3cccc(Cl)c3nc2Cl)C1=O ZINC001275152638 912430197 /nfs/dbraw/zinc/43/01/97/912430197.db2.gz MYWBGNTZXUXPIO-FQEVSTJZSA-N 1 2 388.298 3.742 20 30 GHEDLO C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000617038016 879336084 /nfs/dbraw/zinc/33/60/84/879336084.db2.gz UGNMYPBFONOFHX-PXNSSMCTSA-N 1 2 380.492 3.777 20 30 GHEDLO COc1ccc2c(c1)C[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@H](c1ccccc1)C2 ZINC000246886314 879839955 /nfs/dbraw/zinc/83/99/55/879839955.db2.gz BEECUCMDWPTDPJ-LADGPHEKSA-N 1 2 391.515 3.849 20 30 GHEDLO COc1ccc2c(c1)C[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@H](c1ccccc1)C2 ZINC000246886314 879839975 /nfs/dbraw/zinc/83/99/75/879839975.db2.gz BEECUCMDWPTDPJ-LADGPHEKSA-N 1 2 391.515 3.849 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)C2)c1C ZINC000112543987 880010313 /nfs/dbraw/zinc/01/03/13/880010313.db2.gz GYKROKUGKCDMPD-GOSISDBHSA-N 1 2 389.540 3.710 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)C2)c1C ZINC000112543987 880010331 /nfs/dbraw/zinc/01/03/31/880010331.db2.gz GYKROKUGKCDMPD-GOSISDBHSA-N 1 2 389.540 3.710 20 30 GHEDLO C[C@@H](O[NH+]=C(N)c1ccc(OCc2ccccc2)cc1)C(=O)N1CCC(C)CC1 ZINC000112619669 880049953 /nfs/dbraw/zinc/04/99/53/880049953.db2.gz TVQQXSLXVXYDOV-GOSISDBHSA-N 1 2 395.503 3.550 20 30 GHEDLO COCCOc1cc2c(cc1C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1)OCO2 ZINC000537625388 881217159 /nfs/dbraw/zinc/21/71/59/881217159.db2.gz DBZWBRMQCABEOT-VQTJNVASSA-N 1 2 394.471 3.712 20 30 GHEDLO COCCOc1cc2c(cc1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1)OCO2 ZINC000537625388 881217172 /nfs/dbraw/zinc/21/71/72/881217172.db2.gz DBZWBRMQCABEOT-VQTJNVASSA-N 1 2 394.471 3.712 20 30 GHEDLO C=CCn1c(=S)n(C[NH+]2CCc3ccccc3CC2)nc1-c1ccncc1 ZINC000153178650 883237035 /nfs/dbraw/zinc/23/70/35/883237035.db2.gz LTXPVJUHVQSGGW-UHFFFAOYSA-N 1 2 377.517 3.720 20 30 GHEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCc3csc(C4CC4)n3)c2)n1 ZINC000153183760 883438772 /nfs/dbraw/zinc/43/87/72/883438772.db2.gz IICIOZDSALNSSN-UHFFFAOYSA-N 1 2 381.505 3.719 20 30 GHEDLO N#Cc1ccccc1OCc1cccc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000609629822 883487556 /nfs/dbraw/zinc/48/75/56/883487556.db2.gz HYXWHFBCMJSBMF-NRFANRHFSA-N 1 2 386.455 3.811 20 30 GHEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@@H](O)c3ccc(C(F)(F)F)cc3)CCO2)c1 ZINC000761756466 884044963 /nfs/dbraw/zinc/04/49/63/884044963.db2.gz IYIQJWPUTYRVCD-MOPGFXCFSA-N 1 2 376.378 3.684 20 30 GHEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@@H](O)c3ccc(C(F)(F)F)cc3)CCO2)c1 ZINC000761756466 884044972 /nfs/dbraw/zinc/04/49/72/884044972.db2.gz IYIQJWPUTYRVCD-MOPGFXCFSA-N 1 2 376.378 3.684 20 30 GHEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@H](O)Cc3ccc(C(F)(F)F)cc3)CCO2)c1 ZINC000761764515 884141885 /nfs/dbraw/zinc/14/18/85/884141885.db2.gz AYTUWYSGLAKTHR-WOJBJXKFSA-N 1 2 390.405 3.554 20 30 GHEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@H](O)Cc3ccc(C(F)(F)F)cc3)CCO2)c1 ZINC000761764515 884141901 /nfs/dbraw/zinc/14/19/01/884141901.db2.gz AYTUWYSGLAKTHR-WOJBJXKFSA-N 1 2 390.405 3.554 20 30 GHEDLO Cc1noc([C@@H]([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)C2CCOCC2)n1 ZINC000498369662 884187391 /nfs/dbraw/zinc/18/73/91/884187391.db2.gz STGKVCYMCBJGBT-KRWDZBQOSA-N 1 2 379.382 3.506 20 30 GHEDLO N#CCc1cccc2c1CC[N@@H+](CC(=O)Nc1ccc(N3CCCCC3)cc1)C2 ZINC000860107723 884334822 /nfs/dbraw/zinc/33/48/22/884334822.db2.gz VAZHCTZRKWMION-UHFFFAOYSA-N 1 2 388.515 3.740 20 30 GHEDLO N#CCc1cccc2c1CC[N@H+](CC(=O)Nc1ccc(N3CCCCC3)cc1)C2 ZINC000860107723 884334842 /nfs/dbraw/zinc/33/48/42/884334842.db2.gz VAZHCTZRKWMION-UHFFFAOYSA-N 1 2 388.515 3.740 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000860494572 884738422 /nfs/dbraw/zinc/73/84/22/884738422.db2.gz LUBFTRCOUPAIQJ-VQTJNVASSA-N 1 2 383.442 3.676 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)C(C)(C)c2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000860494572 884738432 /nfs/dbraw/zinc/73/84/32/884738432.db2.gz LUBFTRCOUPAIQJ-VQTJNVASSA-N 1 2 383.442 3.676 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000542543816 884864228 /nfs/dbraw/zinc/86/42/28/884864228.db2.gz IPUSBBTXMBLCNZ-SOLBZPMBSA-N 1 2 389.565 3.748 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000542543816 884864250 /nfs/dbraw/zinc/86/42/50/884864250.db2.gz IPUSBBTXMBLCNZ-SOLBZPMBSA-N 1 2 389.565 3.748 20 30 GHEDLO CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(C#N)cc1Br ZINC001137639080 885741933 /nfs/dbraw/zinc/74/19/33/885741933.db2.gz JVBDJNLHFUAKQH-UHFFFAOYSA-N 1 2 382.302 3.667 20 30 GHEDLO CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(C#N)cc1Br ZINC001137639080 885741946 /nfs/dbraw/zinc/74/19/46/885741946.db2.gz JVBDJNLHFUAKQH-UHFFFAOYSA-N 1 2 382.302 3.667 20 30 GHEDLO N#CCSc1ccccc1NC(=O)C[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000103479729 885994791 /nfs/dbraw/zinc/99/47/91/885994791.db2.gz GMOSOCUXUJWERS-UHFFFAOYSA-N 1 2 398.507 3.956 20 30 GHEDLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1-n1cccc1 ZINC000014043589 886298397 /nfs/dbraw/zinc/29/83/97/886298397.db2.gz LIQGJGZJQQKIIS-UHFFFAOYSA-N 1 2 384.483 3.615 20 30 GHEDLO Cc1nc(Sc2nnc([C@H](C)[NH+](C)C)n2-c2ccc(F)cc2)ccc1C#N ZINC000487948928 886346274 /nfs/dbraw/zinc/34/62/74/886346274.db2.gz QNFIYGACLXSMBG-ZDUSSCGKSA-N 1 2 382.468 3.755 20 30 GHEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000499057314 886521618 /nfs/dbraw/zinc/52/16/18/886521618.db2.gz UDIWDYFIODYSAA-ZDUSSCGKSA-N 1 2 375.450 3.680 20 30 GHEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000499057314 886521623 /nfs/dbraw/zinc/52/16/23/886521623.db2.gz UDIWDYFIODYSAA-ZDUSSCGKSA-N 1 2 375.450 3.680 20 30 GHEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)cc1 ZINC000808778538 886763855 /nfs/dbraw/zinc/76/38/55/886763855.db2.gz ZLNGQNXFASNLRF-MOPGFXCFSA-N 1 2 392.377 3.564 20 30 GHEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)cc1 ZINC000808778538 886763872 /nfs/dbraw/zinc/76/38/72/886763872.db2.gz ZLNGQNXFASNLRF-MOPGFXCFSA-N 1 2 392.377 3.564 20 30 GHEDLO CC(=NN=C1CC[N@@H+](C)[C@H](c2ccc(Br)cc2)C1)c1cnccn1 ZINC000863097803 886875244 /nfs/dbraw/zinc/87/52/44/886875244.db2.gz QAKJJTQVJULBCX-SFHVURJKSA-N 1 2 386.297 3.871 20 30 GHEDLO CC(=NN=C1CC[N@H+](C)[C@H](c2ccc(Br)cc2)C1)c1cnccn1 ZINC000863097803 886875261 /nfs/dbraw/zinc/87/52/61/886875261.db2.gz QAKJJTQVJULBCX-SFHVURJKSA-N 1 2 386.297 3.871 20 30 GHEDLO CC(=[NH+]Nc1ccnc(C(F)(F)F)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000863181365 886906981 /nfs/dbraw/zinc/90/69/81/886906981.db2.gz JZEFVLARUSGBGK-UHFFFAOYSA-N 1 2 382.361 3.912 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](Cc3cccc(Br)n3)CC2)c(F)c1 ZINC000794554571 887355882 /nfs/dbraw/zinc/35/58/82/887355882.db2.gz SVXSAYFYAVJARZ-UHFFFAOYSA-N 1 2 390.256 3.898 20 30 GHEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2Cl)s1 ZINC000794701089 887875544 /nfs/dbraw/zinc/87/55/44/887875544.db2.gz IOBMQQWOUOHEGA-AATRIKPKSA-N 1 2 391.924 3.591 20 30 GHEDLO Cc1c(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)nnn1-c1cccc(Cl)c1 ZINC000794702594 887876905 /nfs/dbraw/zinc/87/69/05/887876905.db2.gz ZWBVVUYOFDKBIT-FPLPWBNLSA-N 1 2 387.896 3.643 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000609233793 888137143 /nfs/dbraw/zinc/13/71/43/888137143.db2.gz ICLGPBBSSDXDBE-KXBFYZLASA-N 1 2 395.528 3.899 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000609233793 888137152 /nfs/dbraw/zinc/13/71/52/888137152.db2.gz ICLGPBBSSDXDBE-KXBFYZLASA-N 1 2 395.528 3.899 20 30 GHEDLO C=CCSc1ccccc1C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC001132373974 888729938 /nfs/dbraw/zinc/72/99/38/888729938.db2.gz GCPDLUPIVWFOIY-HXUWFJFHSA-N 1 2 396.556 3.904 20 30 GHEDLO C=CCSc1ccccc1C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC001132373974 888729944 /nfs/dbraw/zinc/72/99/44/888729944.db2.gz GCPDLUPIVWFOIY-HXUWFJFHSA-N 1 2 396.556 3.904 20 30 GHEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000532737122 888854188 /nfs/dbraw/zinc/85/41/88/888854188.db2.gz QEBYDHMHGRJNNX-UHFFFAOYSA-N 1 2 397.478 3.879 20 30 GHEDLO N#Cc1ccccc1OCC[N@H+]1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000287473311 913359555 /nfs/dbraw/zinc/35/95/55/913359555.db2.gz RWHKZEUZXPDCLM-AWEZNQCLSA-N 1 2 380.370 3.652 20 30 GHEDLO N#Cc1ccccc1OCC[N@@H+]1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000287473311 913359596 /nfs/dbraw/zinc/35/95/96/913359596.db2.gz RWHKZEUZXPDCLM-AWEZNQCLSA-N 1 2 380.370 3.652 20 30 GHEDLO C[C@@H]1C(N=Nc2ccc(S(=O)(=O)C(F)F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000811641138 889836982 /nfs/dbraw/zinc/83/69/82/889836982.db2.gz PAMYIITYIXJXOL-CQSZACIVSA-N 1 2 393.459 3.745 20 30 GHEDLO C[C@@H]1C(N=Nc2ccc(S(=O)(=O)C(F)F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000811641138 889836995 /nfs/dbraw/zinc/83/69/95/889836995.db2.gz PAMYIITYIXJXOL-CQSZACIVSA-N 1 2 393.459 3.745 20 30 GHEDLO C=CC[N@H+](Cc1c(C)nn(C)c1OCC(F)(F)F)Cc1ccc(OC)cc1 ZINC000125427461 889991848 /nfs/dbraw/zinc/99/18/48/889991848.db2.gz ZTZSWFLPCALONH-UHFFFAOYSA-N 1 2 383.414 3.866 20 30 GHEDLO C=CC[N@@H+](Cc1c(C)nn(C)c1OCC(F)(F)F)Cc1ccc(OC)cc1 ZINC000125427461 889991850 /nfs/dbraw/zinc/99/18/50/889991850.db2.gz ZTZSWFLPCALONH-UHFFFAOYSA-N 1 2 383.414 3.866 20 30 GHEDLO Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@H](C)[NH+]1CCSCC1 ZINC000533547861 890822459 /nfs/dbraw/zinc/82/24/59/890822459.db2.gz APCALVWRPOKELY-KRWDZBQOSA-N 1 2 397.519 3.976 20 30 GHEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+](C)CCc1cccc(Br)c1 ZINC000812906704 891091195 /nfs/dbraw/zinc/09/11/95/891091195.db2.gz BSFUNVPXHIVASB-GOSISDBHSA-N 1 2 387.277 3.709 20 30 GHEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CCc1cccc(Br)c1 ZINC000812906704 891091202 /nfs/dbraw/zinc/09/12/02/891091202.db2.gz BSFUNVPXHIVASB-GOSISDBHSA-N 1 2 387.277 3.709 20 30 GHEDLO C=CCOc1ccc(C(=O)N2CC[NH+](Cc3ccc(OCC)cc3)CC2)cc1 ZINC000497634415 892046876 /nfs/dbraw/zinc/04/68/76/892046876.db2.gz ROLBOBVWDZIVFZ-UHFFFAOYSA-N 1 2 380.488 3.608 20 30 GHEDLO C=CCOc1ccc(/C=C\C(=O)N2CC[NH+](Cc3cccs3)CC2)cc1OC ZINC000917524494 892098284 /nfs/dbraw/zinc/09/82/84/892098284.db2.gz ZAKXXGOQUJRWIC-CLFYSBASSA-N 1 2 398.528 3.679 20 30 GHEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000542609112 892405181 /nfs/dbraw/zinc/40/51/81/892405181.db2.gz UOTBMZAMAGZZEO-UHFFFAOYSA-N 1 2 399.498 3.743 20 30 GHEDLO COc1cccc(C2([NH2+]Cc3cc(C#N)cnc3Cl)CCOCC2)c1F ZINC000877482563 893636557 /nfs/dbraw/zinc/63/65/57/893636557.db2.gz CLFONOFQWLQXBZ-UHFFFAOYSA-N 1 2 375.831 3.550 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+]2Cc2cc(C#N)cnc2Cl)CC1 ZINC000877541296 893675896 /nfs/dbraw/zinc/67/58/96/893675896.db2.gz FZXNQNIGJKPCHE-UHFFFAOYSA-N 1 2 376.888 3.582 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC2(CC[N@H+]2Cc2cc(C#N)cnc2Cl)CC1 ZINC000877541296 893675908 /nfs/dbraw/zinc/67/59/08/893675908.db2.gz FZXNQNIGJKPCHE-UHFFFAOYSA-N 1 2 376.888 3.582 20 30 GHEDLO C[C@H]([NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)c1c(F)cccc1F ZINC000774867056 913835525 /nfs/dbraw/zinc/83/55/25/913835525.db2.gz QXULTRDUQZXKIX-JSGCOSHPSA-N 1 2 378.382 3.853 20 30 GHEDLO Cc1cc(C)c(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c(C)[nH+]1 ZINC000459915019 894364977 /nfs/dbraw/zinc/36/49/77/894364977.db2.gz ABLQPSKAOYEFKM-HNNXBMFYSA-N 1 2 382.851 3.524 20 30 GHEDLO N#CC1(CCC[NH2+][C@@H](Cc2ccccc2)C(=O)OC2CCCC2)CCOCC1 ZINC000879180284 894884342 /nfs/dbraw/zinc/88/43/42/894884342.db2.gz MLMNKKNABAIURE-NRFANRHFSA-N 1 2 384.520 3.774 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c(C(F)(F)F)c1 ZINC000564529523 895056263 /nfs/dbraw/zinc/05/62/63/895056263.db2.gz PNMFKCFLQGAHEW-OAHLLOKOSA-N 1 2 375.398 3.952 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c(C(F)(F)F)c1 ZINC000564529523 895056279 /nfs/dbraw/zinc/05/62/79/895056279.db2.gz PNMFKCFLQGAHEW-OAHLLOKOSA-N 1 2 375.398 3.952 20 30 GHEDLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NCC(F)(F)c1cc(F)cc(F)c1 ZINC000881834640 896546340 /nfs/dbraw/zinc/54/63/40/896546340.db2.gz XSKQQOXKZLTWNH-GFCCVEGCSA-N 1 2 383.267 3.563 20 30 GHEDLO C=C(Cl)CSc1nc(C)c(CC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)s1 ZINC000819430097 896730146 /nfs/dbraw/zinc/73/01/46/896730146.db2.gz ZRLHIKKNFGVHTF-CYBMUJFWSA-N 1 2 396.969 3.588 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(CN(C)CCCn2cc[nH+]c2)c1=S ZINC000130589412 897147614 /nfs/dbraw/zinc/14/76/14/897147614.db2.gz LXQZZEJLJARHIH-UHFFFAOYSA-N 1 2 386.500 3.582 20 30 GHEDLO CC(C)(C)c1[nH]n(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c(=O)c1CCC#N ZINC000289354287 914156678 /nfs/dbraw/zinc/15/66/78/914156678.db2.gz HTUBJSWDGLBPSZ-IBGZPJMESA-N 1 2 396.535 3.633 20 30 GHEDLO CC(C)(C)c1[nH]n(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(=O)c1CCC#N ZINC000289354287 914156685 /nfs/dbraw/zinc/15/66/85/914156685.db2.gz HTUBJSWDGLBPSZ-IBGZPJMESA-N 1 2 396.535 3.633 20 30 GHEDLO N#C[C@H]1CC=C(Nc2cncnc2[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC001212855539 898378318 /nfs/dbraw/zinc/37/83/18/898378318.db2.gz YZDMHNMREDZYSZ-UWJYYQICSA-N 1 2 375.476 3.670 20 30 GHEDLO N#C[C@H]1CC=C(Nc2cncnc2[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC001212855539 898378329 /nfs/dbraw/zinc/37/83/29/898378329.db2.gz YZDMHNMREDZYSZ-UWJYYQICSA-N 1 2 375.476 3.670 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1[C@H]1CCc2c(Cl)cccc2C1 ZINC001171045788 899376318 /nfs/dbraw/zinc/37/63/18/899376318.db2.gz RQXPDXGZODUSBL-OXJNMPFZSA-N 1 2 386.927 3.611 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1[C@H]1CCc2c(Cl)cccc2C1 ZINC001171045788 899376333 /nfs/dbraw/zinc/37/63/33/899376333.db2.gz RQXPDXGZODUSBL-OXJNMPFZSA-N 1 2 386.927 3.611 20 30 GHEDLO COC(=O)C1(C#N)CC[NH+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000824867532 899846641 /nfs/dbraw/zinc/84/66/41/899846641.db2.gz RJVJHAMIHZQJLL-UHFFFAOYSA-N 1 2 381.259 3.548 20 30 GHEDLO N#C[C@H]1CC=C(Nc2cc[nH+]c3ccc(I)cc23)CC1 ZINC001212859459 899952355 /nfs/dbraw/zinc/95/23/55/899952355.db2.gz JVDKJZRJYGVPLG-NSHDSACASA-N 1 2 375.213 3.881 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1CCN(c2[nH+]cccc2NC2=CC[C@@H](C#N)CC2)C1 ZINC001212859531 900007602 /nfs/dbraw/zinc/00/76/02/900007602.db2.gz LFTVJDNRXLBAJW-NVXWUHKLSA-N 1 2 383.496 3.804 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(C(F)(F)F)c(OC)c1 ZINC001143350691 900215160 /nfs/dbraw/zinc/21/51/60/900215160.db2.gz LKFICHRUIJYFDW-KRWDZBQOSA-N 1 2 395.425 3.750 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(C(F)(F)F)c(OC)c1 ZINC001143350691 900215174 /nfs/dbraw/zinc/21/51/74/900215174.db2.gz LKFICHRUIJYFDW-KRWDZBQOSA-N 1 2 395.425 3.750 20 30 GHEDLO CN1C(=O)[C@@H](c2cccnc2)CC12CC[NH+](Cc1c(Cl)cccc1C#N)CC2 ZINC001143723459 900442524 /nfs/dbraw/zinc/44/25/24/900442524.db2.gz FRTKDAWNJRQKMV-GOSISDBHSA-N 1 2 394.906 3.587 20 30 GHEDLO N#Cc1csc(CSc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2)n1 ZINC000574141471 900793215 /nfs/dbraw/zinc/79/32/15/900793215.db2.gz ZCNOAUHOPZOBDW-UHFFFAOYSA-N 1 2 396.545 3.874 20 30 GHEDLO C#CC[N@H+](Cc1nnc(-c2ccccc2)o1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886427575 901003347 /nfs/dbraw/zinc/00/33/47/901003347.db2.gz PBYIKVUSFHERSX-UHFFFAOYSA-N 1 2 396.491 3.571 20 30 GHEDLO C#CC[N@@H+](Cc1nnc(-c2ccccc2)o1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886427575 901003358 /nfs/dbraw/zinc/00/33/58/901003358.db2.gz PBYIKVUSFHERSX-UHFFFAOYSA-N 1 2 396.491 3.571 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2cncc(C#N)c2)C[C@H]1c1ccccc1F ZINC001171134015 901051624 /nfs/dbraw/zinc/05/16/24/901051624.db2.gz UCPFUHMOKNAWBV-AZUAARDMSA-N 1 2 396.466 3.585 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2cncc(C#N)c2)C[C@H]1c1ccccc1F ZINC001171134015 901051633 /nfs/dbraw/zinc/05/16/33/901051633.db2.gz UCPFUHMOKNAWBV-AZUAARDMSA-N 1 2 396.466 3.585 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCC(C(=O)c3ccc(Br)cc3)CC2)nc1 ZINC001144162875 901176362 /nfs/dbraw/zinc/17/63/62/901176362.db2.gz APKJKKMANUFVAJ-UHFFFAOYSA-N 1 2 384.277 3.811 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(OCc4ccccc4)cc3)CC2)nc1 ZINC001144169585 901216331 /nfs/dbraw/zinc/21/63/31/901216331.db2.gz NESSWIDQTWXWCR-UHFFFAOYSA-N 1 2 384.483 3.854 20 30 GHEDLO N#Cc1ccc(COC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000845120707 901805414 /nfs/dbraw/zinc/80/54/14/901805414.db2.gz BEGRVJHYIRRMBS-LJQANCHMSA-N 1 2 379.416 3.564 20 30 GHEDLO N#Cc1ccc(COC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000845120707 901805421 /nfs/dbraw/zinc/80/54/21/901805421.db2.gz BEGRVJHYIRRMBS-LJQANCHMSA-N 1 2 379.416 3.564 20 30 GHEDLO CC[C@@H](CC#N)[NH2+][C@@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O ZINC000576596156 902116001 /nfs/dbraw/zinc/11/60/01/902116001.db2.gz SHUKNUGUFMUSPS-JKSUJKDBSA-N 1 2 378.314 3.843 20 30 GHEDLO CC(=O)Nc1cc(C(F)(F)F)c(NC(=[NH2+])c2ccc3cc(O)ccc3c2)cn1 ZINC001171186249 902195095 /nfs/dbraw/zinc/19/50/95/902195095.db2.gz PDSKAIAHTDJWGP-UHFFFAOYSA-N 1 2 388.349 3.955 20 30 GHEDLO CC(C)N1C(=O)C[C@@H]([NH2+]Cc2nc(C#N)cs2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000577105895 902506781 /nfs/dbraw/zinc/50/67/81/902506781.db2.gz FVVVWLNTNWIPHF-CRAIPNDOSA-N 1 2 392.887 3.647 20 30 GHEDLO C[C@H]1CN(c2ccc(NCc3ccc(N(C)CCC#N)cc3)c[nH+]2)C[C@H](C)O1 ZINC000772939788 903039776 /nfs/dbraw/zinc/03/97/76/903039776.db2.gz LPRFDTTWBOCVRS-ROUUACIJSA-N 1 2 379.508 3.657 20 30 GHEDLO Cc1ccccc1NC(=O)c1c(C)cccc1NC(=[NH2+])c1ccc(C(N)=O)cc1 ZINC001171256422 903281158 /nfs/dbraw/zinc/28/11/58/903281158.db2.gz NJHOKASOURLSPJ-UHFFFAOYSA-N 1 2 386.455 3.692 20 30 GHEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1[C@H](C)CSc1ccc(Cl)cc1 ZINC001172874384 905949615 /nfs/dbraw/zinc/94/96/15/905949615.db2.gz AJOKLMRGGRRLDM-KDOFPFPSSA-N 1 2 392.956 3.751 20 30 GHEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1[C@H](C)CSc1ccc(Cl)cc1 ZINC001172874384 905949631 /nfs/dbraw/zinc/94/96/31/905949631.db2.gz AJOKLMRGGRRLDM-KDOFPFPSSA-N 1 2 392.956 3.751 20 30 GHEDLO C[C@H](C#N)Oc1ccccc1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000180041841 906673709 /nfs/dbraw/zinc/67/37/09/906673709.db2.gz VMOLGEMNORHUGV-MRXNPFEDSA-N 1 2 379.464 3.684 20 30 GHEDLO Cn1cc(C[N@@H+]2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1C#N ZINC000191249316 906789515 /nfs/dbraw/zinc/78/95/15/906789515.db2.gz HNIHSJDUKPREMJ-KRWDZBQOSA-N 1 2 377.275 3.807 20 30 GHEDLO Cn1cc(C[N@H+]2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1C#N ZINC000191249316 906789531 /nfs/dbraw/zinc/78/95/31/906789531.db2.gz HNIHSJDUKPREMJ-KRWDZBQOSA-N 1 2 377.275 3.807 20 30 GHEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cccc(F)c1Br ZINC001276007692 921268744 /nfs/dbraw/zinc/26/87/44/921268744.db2.gz ACLDATCXHUALKB-SFHVURJKSA-N 1 2 381.289 3.731 20 30 GHEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(F)c1Br ZINC001276007692 921268748 /nfs/dbraw/zinc/26/87/48/921268748.db2.gz ACLDATCXHUALKB-SFHVURJKSA-N 1 2 381.289 3.731 20 30 GHEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1ccc(Br)s1 ZINC000008164580 921301141 /nfs/dbraw/zinc/30/11/41/921301141.db2.gz XXHQKCHMUQQEGY-LLVKDONJSA-N 1 2 378.295 3.841 20 30 GHEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1ccc(Br)s1 ZINC000008164580 921301144 /nfs/dbraw/zinc/30/11/44/921301144.db2.gz XXHQKCHMUQQEGY-LLVKDONJSA-N 1 2 378.295 3.841 20 30 GHEDLO COc1cc2c(cc1OC)C(C)(C)[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])CC2 ZINC001175783215 907745546 /nfs/dbraw/zinc/74/55/46/907745546.db2.gz OEGGVUYVSYLYDH-UHFFFAOYSA-N 1 2 381.432 3.777 20 30 GHEDLO COc1cc2c(cc1OC)C(C)(C)[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])CC2 ZINC001175783215 907745554 /nfs/dbraw/zinc/74/55/54/907745554.db2.gz OEGGVUYVSYLYDH-UHFFFAOYSA-N 1 2 381.432 3.777 20 30 GHEDLO Cn1cc(C[NH2+]Cc2cc(COC(C)(C)C)on2)c(-c2ccc(C#N)cc2)n1 ZINC000186412750 907921631 /nfs/dbraw/zinc/92/16/31/907921631.db2.gz KWCRWPLZHRMXCC-UHFFFAOYSA-N 1 2 379.464 3.552 20 30 GHEDLO N#Cc1cccc([C@H](O)C[N@@H+]2CCc3cc(F)c(Br)cc3C2)c1 ZINC001176453515 908116391 /nfs/dbraw/zinc/11/63/91/908116391.db2.gz VUVASLUQEFOUMF-GOSISDBHSA-N 1 2 375.241 3.552 20 30 GHEDLO N#Cc1cccc([C@H](O)C[N@H+]2CCc3cc(F)c(Br)cc3C2)c1 ZINC001176453515 908116393 /nfs/dbraw/zinc/11/63/93/908116393.db2.gz VUVASLUQEFOUMF-GOSISDBHSA-N 1 2 375.241 3.552 20 30 GHEDLO C=CCn1c(-c2ccccc2F)nn(C[N@H+](C[C@H]2CCOC2)C2CC2)c1=S ZINC000193389808 908323595 /nfs/dbraw/zinc/32/35/95/908323595.db2.gz RZIZAQPZPHIXRZ-OAHLLOKOSA-N 1 2 388.512 3.865 20 30 GHEDLO C=CCn1c(-c2ccccc2F)nn(C[N@@H+](C[C@H]2CCOC2)C2CC2)c1=S ZINC000193389808 908323609 /nfs/dbraw/zinc/32/36/09/908323609.db2.gz RZIZAQPZPHIXRZ-OAHLLOKOSA-N 1 2 388.512 3.865 20 30 GHEDLO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3csc(-c4ccsc4)n3)C2=O)cc1 ZINC000192242683 908741958 /nfs/dbraw/zinc/74/19/58/908741958.db2.gz HNVWKBQLQWJQJS-GOSISDBHSA-N 1 2 394.525 3.634 20 30 GHEDLO CC[C@@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1nc(C(F)(F)F)cs1 ZINC000266734363 909280686 /nfs/dbraw/zinc/28/06/86/909280686.db2.gz WPPNYSVKJPVKRZ-KGLIPLIRSA-N 1 2 394.422 3.880 20 30 GHEDLO C=CCn1cc(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)nn1 ZINC001178986088 909346114 /nfs/dbraw/zinc/34/61/14/909346114.db2.gz GUBJMVVXYKPSJH-UHFFFAOYSA-N 1 2 383.383 3.594 20 30 GHEDLO C#C[C@@H](CC)[NH2+]Cc1nc(N(C)C)n(-c2ccc(Br)cc2)c1Cl ZINC001181575825 910847124 /nfs/dbraw/zinc/84/71/24/910847124.db2.gz ISCNVPHYERYEDV-ZDUSSCGKSA-N 1 2 395.732 3.856 20 30 GHEDLO N#Cc1cnc(CNC(=O)[C@H](c2ccc(Cl)cc2)[NH+]2CCCCCC2)s1 ZINC001182246709 911336196 /nfs/dbraw/zinc/33/61/96/911336196.db2.gz ZBFZIFACYWTWAC-SFHVURJKSA-N 1 2 388.924 3.902 20 30 GHEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000283779768 911644739 /nfs/dbraw/zinc/64/47/39/911644739.db2.gz QZAITRYDJYTOEK-MOPGFXCFSA-N 1 2 399.498 3.791 20 30 GHEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000283779768 911644745 /nfs/dbraw/zinc/64/47/45/911644745.db2.gz QZAITRYDJYTOEK-MOPGFXCFSA-N 1 2 399.498 3.791 20 30 GHEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cccc(Br)c1F ZINC001275631964 915470649 /nfs/dbraw/zinc/47/06/49/915470649.db2.gz UCGFHUVGZXDORY-GOSISDBHSA-N 1 2 381.289 3.731 20 30 GHEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(Br)c1F ZINC001275631964 915470654 /nfs/dbraw/zinc/47/06/54/915470654.db2.gz UCGFHUVGZXDORY-GOSISDBHSA-N 1 2 381.289 3.731 20 30 GHEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)Cc1ccc(Br)o1 ZINC000097287212 915483238 /nfs/dbraw/zinc/48/32/38/915483238.db2.gz XSFDKUHXFRHXNE-FVRSWCFKSA-N 1 2 396.329 3.793 20 30 GHEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)Cc1ccc(Br)o1 ZINC000097287212 915483242 /nfs/dbraw/zinc/48/32/42/915483242.db2.gz XSFDKUHXFRHXNE-FVRSWCFKSA-N 1 2 396.329 3.793 20 30 GHEDLO N#Cc1cc2c(nc1SCc1cccc(C[NH+]3CCOCC3)c1)CCCC2 ZINC001188565320 916032882 /nfs/dbraw/zinc/03/28/82/916032882.db2.gz NWYMKJNYKAFOGI-UHFFFAOYSA-N 1 2 379.529 3.957 20 30 GHEDLO CCOC(=O)C1(C(=O)c2ccccc2)CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000294884351 917032105 /nfs/dbraw/zinc/03/21/05/917032105.db2.gz VVNNLFZXZURVNI-UHFFFAOYSA-N 1 2 382.485 3.648 20 30 GHEDLO C#C[C@@H]([NH2+]Cc1csc(-c2cccc(Br)c2)n1)[C@@H]1CCCO1 ZINC000775341104 917076188 /nfs/dbraw/zinc/07/61/88/917076188.db2.gz JYJGOUQGNVDDEH-CVEARBPZSA-N 1 2 377.307 3.843 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCOc3ccc(C)cc3C2)cc1 ZINC000796431514 917125627 /nfs/dbraw/zinc/12/56/27/917125627.db2.gz RNRQVMSFXVZTNV-IBGZPJMESA-N 1 2 377.488 3.833 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCOc3ccc(C)cc3C2)cc1 ZINC000796431514 917125634 /nfs/dbraw/zinc/12/56/34/917125634.db2.gz RNRQVMSFXVZTNV-IBGZPJMESA-N 1 2 377.488 3.833 20 30 GHEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 ZINC001190847564 917598020 /nfs/dbraw/zinc/59/80/20/917598020.db2.gz PGTRXZXQMPMFPO-HXUWFJFHSA-N 1 2 397.450 3.946 20 30 GHEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 ZINC001190847564 917598029 /nfs/dbraw/zinc/59/80/29/917598029.db2.gz PGTRXZXQMPMFPO-HXUWFJFHSA-N 1 2 397.450 3.946 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000296102769 917850948 /nfs/dbraw/zinc/85/09/48/917850948.db2.gz XKBPBVCELCRCQP-GOSISDBHSA-N 1 2 390.487 3.515 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCC=C(c2cccnc2)C1 ZINC000296102769 917850961 /nfs/dbraw/zinc/85/09/61/917850961.db2.gz XKBPBVCELCRCQP-GOSISDBHSA-N 1 2 390.487 3.515 20 30 GHEDLO N#Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)c(C(F)(F)F)c1 ZINC001192098871 918439136 /nfs/dbraw/zinc/43/91/36/918439136.db2.gz NOBFUWANIXRYJM-HNNXBMFYSA-N 1 2 387.352 3.523 20 30 GHEDLO N#C[C@H](C(=O)C[N@@H+]1CCCC[C@@H]1c1ccccc1)c1nc2ccccc2c(=O)[nH]1 ZINC000273901015 919421207 /nfs/dbraw/zinc/42/12/07/919421207.db2.gz XGCGHTMDFGGYNU-UYAOXDASSA-N 1 2 386.455 3.739 20 30 GHEDLO N#C[C@H](C(=O)C[N@H+]1CCCC[C@@H]1c1ccccc1)c1nc2ccccc2c(=O)[nH]1 ZINC000273901015 919421215 /nfs/dbraw/zinc/42/12/15/919421215.db2.gz XGCGHTMDFGGYNU-UYAOXDASSA-N 1 2 386.455 3.739 20 30 GHEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(Cl)cc1Br ZINC001275903472 919437631 /nfs/dbraw/zinc/43/76/31/919437631.db2.gz XFGFAUUCWOFOMF-SFHVURJKSA-N 1 2 395.728 3.693 20 30 GHEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(Cl)cc1Br ZINC001275903472 919437638 /nfs/dbraw/zinc/43/76/38/919437638.db2.gz XFGFAUUCWOFOMF-SFHVURJKSA-N 1 2 395.728 3.693 20 30 GHEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCCSCc1ccccc1C#N)C2 ZINC000364654524 919797514 /nfs/dbraw/zinc/79/75/14/919797514.db2.gz NSCBQPTUFYFJRV-OAHLLOKOSA-N 1 2 382.533 3.559 20 30 GHEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCCSCc1ccccc1C#N)CC2 ZINC000364654524 919797538 /nfs/dbraw/zinc/79/75/38/919797538.db2.gz NSCBQPTUFYFJRV-OAHLLOKOSA-N 1 2 382.533 3.559 20 30 GHEDLO CO/N=C/c1ccc(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000298955010 921085460 /nfs/dbraw/zinc/08/54/60/921085460.db2.gz IWHYDSDSMVQVNJ-GOVKSTLWSA-N 1 2 381.476 3.528 20 30 GHEDLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CCC(C#N)(c2ccccn2)CC1 ZINC000367081647 921911197 /nfs/dbraw/zinc/91/11/97/921911197.db2.gz UNBLRQYYSAUQDX-UHFFFAOYSA-N 1 2 386.455 3.868 20 30 GHEDLO CCCCNc1[nH+]c2ccccc2n1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000748449385 923648562 /nfs/dbraw/zinc/64/85/62/923648562.db2.gz JZWAQOAZKJIOHB-UHFFFAOYSA-N 1 2 382.489 3.594 20 30 GHEDLO C[C@@H](Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(=O)Nc1cccc(C#N)c1 ZINC000370265449 923995418 /nfs/dbraw/zinc/99/54/18/923995418.db2.gz HTYPUIVMFUCHCD-MRXNPFEDSA-N 1 2 383.455 3.913 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)NCC#Cc2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000677248433 924299860 /nfs/dbraw/zinc/29/98/60/924299860.db2.gz WOHLPJLSFDRKKP-VQTJNVASSA-N 1 2 385.870 3.575 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)NCC#Cc2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000677248433 924299866 /nfs/dbraw/zinc/29/98/66/924299866.db2.gz WOHLPJLSFDRKKP-VQTJNVASSA-N 1 2 385.870 3.575 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)NCC#Cc2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000677248427 924299911 /nfs/dbraw/zinc/29/99/11/924299911.db2.gz WOHLPJLSFDRKKP-PMACEKPBSA-N 1 2 385.870 3.575 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)NCC#Cc2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000677248427 924299923 /nfs/dbraw/zinc/29/99/23/924299923.db2.gz WOHLPJLSFDRKKP-PMACEKPBSA-N 1 2 385.870 3.575 20 30 GHEDLO C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(Br)cc(F)c1F)CC2 ZINC001276105744 925686376 /nfs/dbraw/zinc/68/63/76/925686376.db2.gz CKMLPWAAMBNXRY-AWEZNQCLSA-N 1 2 399.279 3.632 20 30 GHEDLO CCN(C(=O)c1cscc1C#N)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000410508420 925699245 /nfs/dbraw/zinc/69/92/45/925699245.db2.gz NAXNXXQVXMAHBU-UHFFFAOYSA-N 1 2 397.548 3.973 20 30 GHEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(Cl)c(OC)c(Cl)c1 ZINC001276134707 925884784 /nfs/dbraw/zinc/88/47/84/925884784.db2.gz NVMFFMLPNLKKDI-IBGZPJMESA-N 1 2 381.303 3.592 20 30 GHEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Cl)c(OC)c(Cl)c1 ZINC001276134707 925884799 /nfs/dbraw/zinc/88/47/99/925884799.db2.gz NVMFFMLPNLKKDI-IBGZPJMESA-N 1 2 381.303 3.592 20 30 GHEDLO CC1(C)C[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c2ccccc2O1 ZINC000411126492 926087876 /nfs/dbraw/zinc/08/78/76/926087876.db2.gz OYFLNBWPRTUECU-NRFANRHFSA-N 1 2 389.499 3.547 20 30 GHEDLO CC1(C)C[C@@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c2ccccc2O1 ZINC000411126494 926088144 /nfs/dbraw/zinc/08/81/44/926088144.db2.gz OYFLNBWPRTUECU-OAQYLSRUSA-N 1 2 389.499 3.547 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(OCC2CC2)CC1 ZINC000374095545 926752990 /nfs/dbraw/zinc/75/29/90/926752990.db2.gz UMRZEEYQGDEAII-MRXNPFEDSA-N 1 2 387.549 3.768 20 30 GHEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1=S ZINC000749800693 927280828 /nfs/dbraw/zinc/28/08/28/927280828.db2.gz SJXRUEGOBJBVBQ-RBUKOAKNSA-N 1 2 384.549 3.891 20 30 GHEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1=S ZINC000749800693 927280841 /nfs/dbraw/zinc/28/08/41/927280841.db2.gz SJXRUEGOBJBVBQ-RBUKOAKNSA-N 1 2 384.549 3.891 20 30 GHEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)C(C)(C)[C@@H]1c1ccccc1 ZINC000749946290 927364363 /nfs/dbraw/zinc/36/43/63/927364363.db2.gz AHTNHIZSUMHVQL-NRFANRHFSA-N 1 2 377.488 3.574 20 30 GHEDLO COCC[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)C(C)(C)[C@@H]1c1ccccc1 ZINC000749946290 927364372 /nfs/dbraw/zinc/36/43/72/927364372.db2.gz AHTNHIZSUMHVQL-NRFANRHFSA-N 1 2 377.488 3.574 20 30 GHEDLO Cc1sc(NC(=O)C[N@@H+]2CCCN(c3ccc(C)cc3)CC2)c(C#N)c1C ZINC000750040468 927401370 /nfs/dbraw/zinc/40/13/70/927401370.db2.gz XLQHAFZMDXIOKV-UHFFFAOYSA-N 1 2 382.533 3.696 20 30 GHEDLO Cc1sc(NC(=O)C[N@H+]2CCCN(c3ccc(C)cc3)CC2)c(C#N)c1C ZINC000750040468 927401372 /nfs/dbraw/zinc/40/13/72/927401372.db2.gz XLQHAFZMDXIOKV-UHFFFAOYSA-N 1 2 382.533 3.696 20 30 GHEDLO C=CCn1c([C@@H]2COc3ccccc3O2)nn(C[NH+]2C[C@@H](C)[C@H](C)C2)c1=S ZINC000751929650 928484831 /nfs/dbraw/zinc/48/48/31/928484831.db2.gz QUEMFBOTNMYAJP-RKVPGOIHSA-N 1 2 386.521 3.658 20 30 GHEDLO COC(=O)c1cccc(C[NH2+][C@H](C)c2c(C)nn(CC(F)(F)F)c2C)c1C#N ZINC000544420422 929158641 /nfs/dbraw/zinc/15/86/41/929158641.db2.gz FCWCIKNFSAJHQI-LLVKDONJSA-N 1 2 394.397 3.571 20 30 GHEDLO C=CCNc1ncc(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)s1 ZINC000757925685 929856808 /nfs/dbraw/zinc/85/68/08/929856808.db2.gz QTHXYYORUPOQOV-UHFFFAOYSA-N 1 2 377.473 3.909 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@H](O)c2ccc(Cl)cc2Cl)c1 ZINC000759121651 930280528 /nfs/dbraw/zinc/28/05/28/930280528.db2.gz DQXJNFSFZZFRRF-SFHVURJKSA-N 1 2 377.271 3.579 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@H](O)c2ccc(Cl)cc2Cl)c1 ZINC000759121651 930280535 /nfs/dbraw/zinc/28/05/35/930280535.db2.gz DQXJNFSFZZFRRF-SFHVURJKSA-N 1 2 377.271 3.579 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccccc1)Cc1nc2oc(C)c(C(=O)OCC)c2c(N)n1 ZINC000470923534 931036593 /nfs/dbraw/zinc/03/65/93/931036593.db2.gz MKPWQWXYZJKSAX-UHFFFAOYSA-N 1 2 394.475 3.868 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccccc1)Cc1nc2oc(C)c(C(=O)OCC)c2c(N)n1 ZINC000470923534 931036601 /nfs/dbraw/zinc/03/66/01/931036601.db2.gz MKPWQWXYZJKSAX-UHFFFAOYSA-N 1 2 394.475 3.868 20 30 GHEDLO O=C(/C=C/c1cc(-n2cc[nH+]c2)cs1)c1ccc(N2CCOCC2)c(F)c1 ZINC000783700542 931622825 /nfs/dbraw/zinc/62/28/25/931622825.db2.gz SGTTZHVZQPYRMU-DUXPYHPUSA-N 1 2 383.448 3.806 20 30 GHEDLO Cc1cc(Br)cn2c(C=CC(=O)c3ccc4[nH]c(=O)[nH]c4c3)c[nH+]c12 ZINC000783706572 931624445 /nfs/dbraw/zinc/62/44/45/931624445.db2.gz RDCGFHURMOJWPM-HWKANZROSA-N 1 2 397.232 3.883 20 30 GHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)OC[C@H](C#N)Cc1ccc(F)cc1 ZINC000796670015 932024715 /nfs/dbraw/zinc/02/47/15/932024715.db2.gz KZZTVWSDAYXNFN-AWEZNQCLSA-N 1 2 387.361 3.688 20 30 GHEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3ccc(C#N)c(F)c3)CC2)c1 ZINC000558503296 932039324 /nfs/dbraw/zinc/03/93/24/932039324.db2.gz HQZRNFLGUIZTGY-HNNXBMFYSA-N 1 2 382.439 3.617 20 30 GHEDLO C=CCn1c([C@H]2COc3ccccc3O2)nn(C[N@@H+](C)C2CCCC2)c1=S ZINC000798193336 932559352 /nfs/dbraw/zinc/55/93/52/932559352.db2.gz IOKFTMPXNRUGKT-GOSISDBHSA-N 1 2 386.521 3.944 20 30 GHEDLO C=CCn1c([C@H]2COc3ccccc3O2)nn(C[N@H+](C)C2CCCC2)c1=S ZINC000798193336 932559356 /nfs/dbraw/zinc/55/93/56/932559356.db2.gz IOKFTMPXNRUGKT-GOSISDBHSA-N 1 2 386.521 3.944 20 30 GHEDLO CCOc1ccc(N2CC[NH+](Cc3cc(Cl)ccc3OCC#N)CC2)cc1 ZINC001116418358 933547772 /nfs/dbraw/zinc/54/77/72/933547772.db2.gz YWIWYAOWJUKWRU-UHFFFAOYSA-N 1 2 385.895 3.963 20 30 GHEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000929926567 933711306 /nfs/dbraw/zinc/71/13/06/933711306.db2.gz KKZSKOZUWRWQIX-UHFFFAOYSA-N 1 2 379.464 3.849 20 30 GHEDLO C=C(C)c1cccc(NC(=O)C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC001120971809 934543934 /nfs/dbraw/zinc/54/39/34/934543934.db2.gz WSUYPNBNYBEXIY-UHFFFAOYSA-N 1 2 392.503 3.597 20 30 GHEDLO CC(C)C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000561940880 934574660 /nfs/dbraw/zinc/57/46/60/934574660.db2.gz GDCBCCDWIHIRNX-LJQANCHMSA-N 1 2 384.911 3.912 20 30 GHEDLO CC(C)C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000561940880 934574664 /nfs/dbraw/zinc/57/46/64/934574664.db2.gz GDCBCCDWIHIRNX-LJQANCHMSA-N 1 2 384.911 3.912 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@]2(C1)CCCOC2 ZINC001121581636 934704989 /nfs/dbraw/zinc/70/49/89/934704989.db2.gz PDLHHMYVNWMRAV-CVDCTZTESA-N 1 2 395.551 3.664 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@]2(C1)CCCOC2 ZINC001121581636 934704996 /nfs/dbraw/zinc/70/49/96/934704996.db2.gz PDLHHMYVNWMRAV-CVDCTZTESA-N 1 2 395.551 3.664 20 30 GHEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC[C@H](COC)C1 ZINC001121580806 934705016 /nfs/dbraw/zinc/70/50/16/934705016.db2.gz FGWKPZIDRZUBMY-QUCCMNQESA-N 1 2 383.540 3.520 20 30 GHEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC[C@H](COC)C1 ZINC001121580806 934705024 /nfs/dbraw/zinc/70/50/24/934705024.db2.gz FGWKPZIDRZUBMY-QUCCMNQESA-N 1 2 383.540 3.520 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@H](C/C=C\C)C1 ZINC001121584824 934707772 /nfs/dbraw/zinc/70/77/72/934707772.db2.gz YCSZJIGAGLNMFU-UABKOXTMSA-N 1 2 382.556 3.740 20 30 GHEDLO NC(=[NH+]OCCc1ccc(F)c(F)c1)c1ccc(OCc2cccnc2)cc1 ZINC000778030129 934723271 /nfs/dbraw/zinc/72/32/71/934723271.db2.gz YSUXFMSGVKBCSO-UHFFFAOYSA-N 1 2 383.398 3.818 20 30 GHEDLO CC[C@@H]1c2ccccc2CN1c1nnc(C2CC[NH+](CCC#N)CC2)n1CC ZINC001121711966 934745133 /nfs/dbraw/zinc/74/51/33/934745133.db2.gz HDAAZXPBIGQOGC-HXUWFJFHSA-N 1 2 378.524 3.862 20 30 GHEDLO C=CCC[C@H]1CCCN1c1nnc(Cc2[nH+]ccn2C)n1Cc1ccccc1 ZINC001122162875 934835772 /nfs/dbraw/zinc/83/57/72/934835772.db2.gz ZRSMQOBCJNYASI-IBGZPJMESA-N 1 2 376.508 3.586 20 30 GHEDLO C[N@@H+]1CCC[C@@H]1c1nnc(N2Cc3cccc(C#N)c3C2)n1Cc1cccs1 ZINC001122918085 935030403 /nfs/dbraw/zinc/03/04/03/935030403.db2.gz ZBAMDTQPQUHEOH-LJQANCHMSA-N 1 2 390.516 3.546 20 30 GHEDLO C[N@H+]1CCC[C@@H]1c1nnc(N2Cc3cccc(C#N)c3C2)n1Cc1cccs1 ZINC001122918085 935030410 /nfs/dbraw/zinc/03/04/10/935030410.db2.gz ZBAMDTQPQUHEOH-LJQANCHMSA-N 1 2 390.516 3.546 20 30 GHEDLO CC(C)CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1ccc(C#N)cc1 ZINC001124832771 935476088 /nfs/dbraw/zinc/47/60/88/935476088.db2.gz VFCZIXHPPUXANV-UHFFFAOYSA-N 1 2 389.415 3.955 20 30 GHEDLO CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccncc2C#N)CC1 ZINC000828604440 935674235 /nfs/dbraw/zinc/67/42/35/935674235.db2.gz YOCZKHAHLXSXPO-LJQANCHMSA-N 1 2 384.524 3.811 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC001227158737 1032297905 /nfs/dbraw/zinc/29/79/05/1032297905.db2.gz WZUVREFLMBTHSU-AWEZNQCLSA-N 1 2 375.787 3.912 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC001227158737 1032297910 /nfs/dbraw/zinc/29/79/10/1032297910.db2.gz WZUVREFLMBTHSU-AWEZNQCLSA-N 1 2 375.787 3.912 20 30 GHEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2ncc(-c3cc(Cl)cc(Cl)c3)s2)C1 ZINC001154958390 1032359213 /nfs/dbraw/zinc/35/92/13/1032359213.db2.gz FDZBKVZQXHJYCZ-HNNXBMFYSA-N 1 2 394.327 3.944 20 30 GHEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ncc(-c3cc(Cl)cc(Cl)c3)s2)C1 ZINC001154958390 1032359225 /nfs/dbraw/zinc/35/92/25/1032359225.db2.gz FDZBKVZQXHJYCZ-HNNXBMFYSA-N 1 2 394.327 3.944 20 30 GHEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cnc(C(F)(F)F)cc1Cl ZINC001277228476 1032500958 /nfs/dbraw/zinc/50/09/58/1032500958.db2.gz OLSZJFBVHONFJR-QGZVFWFLSA-N 1 2 387.833 3.897 20 30 GHEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cnc(C(F)(F)F)cc1Cl ZINC001277228476 1032500964 /nfs/dbraw/zinc/50/09/64/1032500964.db2.gz OLSZJFBVHONFJR-QGZVFWFLSA-N 1 2 387.833 3.897 20 30 GHEDLO N#CCCCN1CC2(CCC1=O)CC[NH+](Cc1cccc(Cl)c1O)CC2 ZINC001277232058 1032518278 /nfs/dbraw/zinc/51/82/78/1032518278.db2.gz JUTFESOHSPYCRL-UHFFFAOYSA-N 1 2 375.900 3.554 20 30 GHEDLO C=CCOc1ccc(C[N@H+]2CCO[C@H]3[C@@H](Oc4ncccc4F)CC[C@@H]32)cc1 ZINC001204300422 1032740697 /nfs/dbraw/zinc/74/06/97/1032740697.db2.gz NLVUAHTYSWHPHT-PCCBWWKXSA-N 1 2 384.451 3.596 20 30 GHEDLO C=CCOc1ccc(C[N@@H+]2CCO[C@H]3[C@@H](Oc4ncccc4F)CC[C@@H]32)cc1 ZINC001204300422 1032740709 /nfs/dbraw/zinc/74/07/09/1032740709.db2.gz NLVUAHTYSWHPHT-PCCBWWKXSA-N 1 2 384.451 3.596 20 30 GHEDLO C[C@@H]([NH2+][C@H](c1ncccn1)C1CC1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000932360912 1018223747 /nfs/dbraw/zinc/22/37/47/1018223747.db2.gz IMBBDLQNNCRUAX-ACJLOTCBSA-N 1 2 395.532 3.747 20 30 GHEDLO C=CCOc1ccc(Br)cc1NC(=O)NCCCCn1cc[nH+]c1 ZINC000562686546 1018534702 /nfs/dbraw/zinc/53/47/02/1018534702.db2.gz PLYSUPFDEWOIRX-UHFFFAOYSA-N 1 2 393.285 3.812 20 30 GHEDLO N#CC[C@@H](Cc1nc(-c2ccccc2C[NH+]2CCOCC2)no1)c1ccccc1 ZINC000569885575 1019530075 /nfs/dbraw/zinc/53/00/75/1019530075.db2.gz KIBFQNAOPYFKOB-IBGZPJMESA-N 1 2 388.471 3.809 20 30 GHEDLO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[NH2+][C@H](CC)CC#N)cc2)cc1 ZINC000570223310 1019572606 /nfs/dbraw/zinc/57/26/06/1019572606.db2.gz RUIGNJPBXNGNIS-QGZVFWFLSA-N 1 2 394.475 3.558 20 30 GHEDLO C[C@H](c1ccccc1)N(Cc1ccc(C#N)cc1)c1cc(N2CCOCC2)[nH+]cn1 ZINC001156220476 1032929825 /nfs/dbraw/zinc/92/98/25/1032929825.db2.gz FEXPEXIMIMWHRW-LJQANCHMSA-N 1 2 399.498 3.953 20 30 GHEDLO C[C@H](c1ccccc1)N(Cc1ccc(C#N)cc1)c1cc(N2CCOCC2)nc[nH+]1 ZINC001156220476 1032929833 /nfs/dbraw/zinc/92/98/33/1032929833.db2.gz FEXPEXIMIMWHRW-LJQANCHMSA-N 1 2 399.498 3.953 20 30 GHEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2ccc(CC(F)(F)F)cc2)CC1 ZINC001204505396 1032936838 /nfs/dbraw/zinc/93/68/38/1032936838.db2.gz INCQLIYWOZYDCP-UHFFFAOYSA-N 1 2 390.409 3.851 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](Cc3c[nH]c4ncc(Br)cc34)CC2)cc1 ZINC001140460069 1021749619 /nfs/dbraw/zinc/74/96/19/1021749619.db2.gz WGMNSCQBYBNZLS-UHFFFAOYSA-N 1 2 396.292 3.519 20 30 GHEDLO COCC[N@H+](Cc1cc(C#N)ccc1Cl)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140604126 1022055456 /nfs/dbraw/zinc/05/54/56/1022055456.db2.gz RCTICEPGNYRSOD-KRWDZBQOSA-N 1 2 393.915 3.669 20 30 GHEDLO COCC[N@@H+](Cc1cc(C#N)ccc1Cl)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140604126 1022055472 /nfs/dbraw/zinc/05/54/72/1022055472.db2.gz RCTICEPGNYRSOD-KRWDZBQOSA-N 1 2 393.915 3.669 20 30 GHEDLO C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000838837684 1025390526 /nfs/dbraw/zinc/39/05/26/1025390526.db2.gz HKQDYEHXIQYJCQ-AWEZNQCLSA-N 1 2 388.468 3.592 20 30 GHEDLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000838898297 1025427380 /nfs/dbraw/zinc/42/73/80/1025427380.db2.gz YIJMEMZBHCDNNS-HOCLYGCPSA-N 1 2 388.468 3.592 20 30 GHEDLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000838898297 1025427392 /nfs/dbraw/zinc/42/73/92/1025427392.db2.gz YIJMEMZBHCDNNS-HOCLYGCPSA-N 1 2 388.468 3.592 20 30 GHEDLO C=CCOc1c(Br)cc(CNc2cc(CO)cc[nH+]2)cc1OC ZINC001202893491 1025901415 /nfs/dbraw/zinc/90/14/15/1025901415.db2.gz TYQWPUSWCVCVAL-UHFFFAOYSA-N 1 2 379.254 3.522 20 30 GHEDLO N#Cc1cc(Cl)c(C(=O)N2CC3(CC[N@@H+]3Cc3ccccc3)C2)c(Cl)c1 ZINC001162800599 1025920681 /nfs/dbraw/zinc/92/06/81/1025920681.db2.gz JRUOUWGQPYCFQB-UHFFFAOYSA-N 1 2 386.282 3.966 20 30 GHEDLO N#Cc1cc(Cl)c(C(=O)N2CC3(CC[N@H+]3Cc3ccccc3)C2)c(Cl)c1 ZINC001162800599 1025920683 /nfs/dbraw/zinc/92/06/83/1025920683.db2.gz JRUOUWGQPYCFQB-UHFFFAOYSA-N 1 2 386.282 3.966 20 30 GHEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1Cc1cccc2c1ccn2CC ZINC001139153348 1025973282 /nfs/dbraw/zinc/97/32/82/1025973282.db2.gz QLIFPCLJSZGEEF-NRFANRHFSA-N 1 2 379.508 3.575 20 30 GHEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1Cc1cccc2c1ccn2CC ZINC001139153348 1025973287 /nfs/dbraw/zinc/97/32/87/1025973287.db2.gz QLIFPCLJSZGEEF-NRFANRHFSA-N 1 2 379.508 3.575 20 30 GHEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[NH+]1CCC(c2ccncn2)CC1 ZINC000839620097 1026124489 /nfs/dbraw/zinc/12/44/89/1026124489.db2.gz FKZRYCBJJFTXPP-HYARGMPZSA-N 1 2 376.504 3.537 20 30 GHEDLO Cc1cccc(N2CCC[C@@]3(C2)C[N@H+](Cc2ccc(C#N)c(F)c2)CCO3)c1 ZINC001139527476 1026385153 /nfs/dbraw/zinc/38/51/53/1026385153.db2.gz CUWFOXYCBOBYCO-QHCPKHFHSA-N 1 2 379.479 3.877 20 30 GHEDLO Cc1cccc(N2CCC[C@@]3(C2)C[N@@H+](Cc2ccc(C#N)c(F)c2)CCO3)c1 ZINC001139527476 1026385166 /nfs/dbraw/zinc/38/51/66/1026385166.db2.gz CUWFOXYCBOBYCO-QHCPKHFHSA-N 1 2 379.479 3.877 20 30 GHEDLO N#Cc1cc(F)cc(CN2CC[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)c1 ZINC001139878979 1026696110 /nfs/dbraw/zinc/69/61/10/1026696110.db2.gz DBKJOXFGZLJFCX-IBGZPJMESA-N 1 2 377.385 3.946 20 30 GHEDLO N#Cc1cc(F)cc(CN2CC[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)c1 ZINC001139878979 1026696113 /nfs/dbraw/zinc/69/61/13/1026696113.db2.gz DBKJOXFGZLJFCX-IBGZPJMESA-N 1 2 377.385 3.946 20 30 GHEDLO N#Cc1cc(F)cc(C[NH+]2CCN(c3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC001139879295 1026696231 /nfs/dbraw/zinc/69/62/31/1026696231.db2.gz JCSLDCFLIVVQFL-UHFFFAOYSA-N 1 2 379.357 3.918 20 30 GHEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1=S ZINC000840114111 1027222927 /nfs/dbraw/zinc/22/29/27/1027222927.db2.gz DZLUOECEECSLDZ-UHOSZYNNSA-N 1 2 399.564 3.635 20 30 GHEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1=S ZINC000840114111 1027222952 /nfs/dbraw/zinc/22/29/52/1027222952.db2.gz DZLUOECEECSLDZ-UHOSZYNNSA-N 1 2 399.564 3.635 20 30 GHEDLO C#Cc1cccnc1Nc1c[nH+]c(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1 ZINC001203549765 1027427311 /nfs/dbraw/zinc/42/73/11/1027427311.db2.gz OVEJINJJYLGEHX-UHFFFAOYSA-N 1 2 393.491 3.567 20 30 GHEDLO N#CCCCNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(F)c(Cl)c1F)CC2 ZINC001276417530 1027565500 /nfs/dbraw/zinc/56/55/00/1027565500.db2.gz ZAYIVSJDHJLRIR-CQSZACIVSA-N 1 2 381.854 3.640 20 30 GHEDLO COc1cc(Nc2ccc(CC#N)cc2I)cc(C)[nH+]1 ZINC001210780114 1027650008 /nfs/dbraw/zinc/65/00/08/1027650008.db2.gz BMZVMKKWZIKOPL-UHFFFAOYSA-N 1 2 379.201 3.813 20 30 GHEDLO CSc1nc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)ccc1C#N ZINC001141929093 1027686120 /nfs/dbraw/zinc/68/61/20/1027686120.db2.gz LQZNSBZPQMBQIV-AWEZNQCLSA-N 1 2 376.526 3.506 20 30 GHEDLO CSc1nc(C[N@H+]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)ccc1C#N ZINC001141929093 1027686129 /nfs/dbraw/zinc/68/61/29/1027686129.db2.gz LQZNSBZPQMBQIV-AWEZNQCLSA-N 1 2 376.526 3.506 20 30 GHEDLO CSc1nc(C[N@@H+]2CCCN(C(=O)OC(C)(C)C)[C@@H](C)C2)ccc1C#N ZINC001141943610 1027721466 /nfs/dbraw/zinc/72/14/66/1027721466.db2.gz BTILDYAKASWIKN-AWEZNQCLSA-N 1 2 376.526 3.506 20 30 GHEDLO CSc1nc(C[N@H+]2CCCN(C(=O)OC(C)(C)C)[C@@H](C)C2)ccc1C#N ZINC001141943610 1027721487 /nfs/dbraw/zinc/72/14/87/1027721487.db2.gz BTILDYAKASWIKN-AWEZNQCLSA-N 1 2 376.526 3.506 20 30 GHEDLO CSc1nc(C[N@@H+]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)ccc1C#N ZINC001141945682 1027726180 /nfs/dbraw/zinc/72/61/80/1027726180.db2.gz IXMUINAAVNKORV-BBRMVZONSA-N 1 2 376.526 3.553 20 30 GHEDLO CSc1nc(C[N@H+]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)ccc1C#N ZINC001141945682 1027726201 /nfs/dbraw/zinc/72/62/01/1027726201.db2.gz IXMUINAAVNKORV-BBRMVZONSA-N 1 2 376.526 3.553 20 30 GHEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1nc2cc(C(F)(F)F)ccc2s1 ZINC000840738873 1027779662 /nfs/dbraw/zinc/77/96/62/1027779662.db2.gz JBZJYZMKOSKWER-LLVKDONJSA-N 1 2 375.441 3.614 20 30 GHEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1nc2cc(C(F)(F)F)ccc2s1 ZINC000840738873 1027779679 /nfs/dbraw/zinc/77/96/79/1027779679.db2.gz JBZJYZMKOSKWER-LLVKDONJSA-N 1 2 375.441 3.614 20 30 GHEDLO COCCOc1cc(C#N)c(Nc2cc(C3CC3)c[nH+]c2C)cc1OCCOC ZINC001213501322 1028229312 /nfs/dbraw/zinc/22/93/12/1028229312.db2.gz STAQABFDDHWGQJ-UHFFFAOYSA-N 1 2 397.475 3.933 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@]2(CCC[N@@H+]2Cc2c(F)ccc(C#N)c2F)C1 ZINC001143167283 1029878716 /nfs/dbraw/zinc/87/87/16/1029878716.db2.gz SBTLHDGRTCBEFY-HXUWFJFHSA-N 1 2 377.435 3.812 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@]2(CCC[N@H+]2Cc2c(F)ccc(C#N)c2F)C1 ZINC001143167283 1029878726 /nfs/dbraw/zinc/87/87/26/1029878726.db2.gz SBTLHDGRTCBEFY-HXUWFJFHSA-N 1 2 377.435 3.812 20 30 GHEDLO Cc1cc(-c2noc(-c3ccc(N4CC[NH+](C)CC4)c(Cl)c3)n2)ccc1C#N ZINC001217010106 1030082991 /nfs/dbraw/zinc/08/29/91/1030082991.db2.gz YYRRHKXGFCWLII-UHFFFAOYSA-N 1 2 393.878 3.989 20 30 GHEDLO COc1ccc(OC)c(/C(=N/O)O[C@@H]2CC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC001223891381 1030795793 /nfs/dbraw/zinc/79/57/93/1030795793.db2.gz IRTGTTPHHVDGDS-BLRPHQBRSA-N 1 2 390.867 3.784 20 30 GHEDLO COc1ccc(OC)c(/C(=N/O)O[C@@H]2CC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC001223891381 1030795807 /nfs/dbraw/zinc/79/58/07/1030795807.db2.gz IRTGTTPHHVDGDS-BLRPHQBRSA-N 1 2 390.867 3.784 20 30 GHEDLO C=CCCCCC[C@H]([NH3+])C(=O)Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001218921163 1031152416 /nfs/dbraw/zinc/15/24/16/1031152416.db2.gz RKKYULHGCCPUFN-SFHVURJKSA-N 1 2 392.455 3.570 20 30 GHEDLO N#Cc1ccc2[nH]c(OC3CCC3)c(-c3ccc(C[NH+]4CCOCC4)cn3)c2c1 ZINC001229567877 1033561267 /nfs/dbraw/zinc/56/12/67/1033561267.db2.gz CJPMHAYCBJNKIE-UHFFFAOYSA-N 1 2 388.471 3.865 20 30 GHEDLO COC(=O)[C@H]1CCC[C@@H](Oc2nc(C)c(-c3ccc4[nH+]ccn4c3)cc2C#N)C1 ZINC001229768964 1033699592 /nfs/dbraw/zinc/69/95/92/1033699592.db2.gz PNDFLZDQSLXTRM-MAUKXSAKSA-N 1 2 390.443 3.687 20 30 GHEDLO CC[C@H](C#Cc1ccccc1)Oc1nc(=O)[nH]c(CN2CCCC2=[NH2+])c1Cl ZINC001230094060 1033895257 /nfs/dbraw/zinc/89/52/57/1033895257.db2.gz YHXMDNTVCZVJLP-OAHLLOKOSA-N 1 2 384.867 3.618 20 30 GHEDLO CCOCc1nnn2c1C[N@H+](Cc1ccccc1C#Cc1ccccc1)CCC2 ZINC001231576980 1034728026 /nfs/dbraw/zinc/72/80/26/1034728026.db2.gz MCGSMJAYGNBFNN-UHFFFAOYSA-N 1 2 386.499 3.620 20 30 GHEDLO CCOCc1nnn2c1C[N@@H+](Cc1ccccc1C#Cc1ccccc1)CCC2 ZINC001231576980 1034728038 /nfs/dbraw/zinc/72/80/38/1034728038.db2.gz MCGSMJAYGNBFNN-UHFFFAOYSA-N 1 2 386.499 3.620 20 30 GHEDLO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ncc(Br)cc1F)C2 ZINC001231986575 1035024913 /nfs/dbraw/zinc/02/49/13/1035024913.db2.gz UUVBFMLBRHOVRF-ZWKOTPCHSA-N 1 2 399.304 3.557 20 30 GHEDLO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1ncc(Br)cc1F)C2 ZINC001231986575 1035024921 /nfs/dbraw/zinc/02/49/21/1035024921.db2.gz UUVBFMLBRHOVRF-ZWKOTPCHSA-N 1 2 399.304 3.557 20 30 GHEDLO N#Cc1ccc(CCCN2CC[NH+](CCCC(=O)c3ccc(F)cc3)CC2)cc1 ZINC001208863531 1035065629 /nfs/dbraw/zinc/06/56/29/1035065629.db2.gz GPBNZEGTVLYQSG-UHFFFAOYSA-N 1 2 393.506 3.911 20 30 GHEDLO Cn1nc(C(F)F)c(C[N@@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)c1Cl ZINC001232056342 1035068580 /nfs/dbraw/zinc/06/85/80/1035068580.db2.gz PGVVQKHPGDDFQU-CQSZACIVSA-N 1 2 380.826 3.926 20 30 GHEDLO Cn1nc(C(F)F)c(C[N@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)c1Cl ZINC001232056342 1035068589 /nfs/dbraw/zinc/06/85/89/1035068589.db2.gz PGVVQKHPGDDFQU-CQSZACIVSA-N 1 2 380.826 3.926 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1cccn1Cc1ccccc1 ZINC001232233044 1035174645 /nfs/dbraw/zinc/17/46/45/1035174645.db2.gz XFJBRKUUNZUVKY-JOCHJYFZSA-N 1 2 376.504 3.572 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1cccn1Cc1ccccc1 ZINC001232233044 1035174647 /nfs/dbraw/zinc/17/46/47/1035174647.db2.gz XFJBRKUUNZUVKY-JOCHJYFZSA-N 1 2 376.504 3.572 20 30 GHEDLO CCOC(=O)c1cc(C#N)c(-c2c[nH+]c(N(C)C)cc2C)nc1C(F)(F)F ZINC001241233158 1035540020 /nfs/dbraw/zinc/54/00/20/1035540020.db2.gz GSVZEXGJSQUAIT-UHFFFAOYSA-N 1 2 378.354 3.585 20 30 GHEDLO CC(C)[C@@H](C#N)c1ccc(-c2ccc(NCC[NH+]3CCN(C)CC3)nc2)cc1 ZINC001241565779 1035623516 /nfs/dbraw/zinc/62/35/16/1035623516.db2.gz LEUXRFABKIPIGC-JOCHJYFZSA-N 1 2 377.536 3.671 20 30 GHEDLO C=CC(C)(C)CCCNC(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC001248435922 1035852525 /nfs/dbraw/zinc/85/25/25/1035852525.db2.gz QTRHMXHJBXNRLC-HXUWFJFHSA-N 1 2 387.568 3.911 20 30 GHEDLO N#Cc1nc(-c2ccccc2)c(-c2cc(F)ccc2C[NH+]2CCOCC2)nc1C#N ZINC001243086822 1036029434 /nfs/dbraw/zinc/02/94/34/1036029434.db2.gz WHZKOPXQJIPRJZ-UHFFFAOYSA-N 1 2 399.429 3.525 20 30 GHEDLO N#Cc1ccc(NC(=S)NCc2c[nH+]cn2CC2CC2)cc1C(F)(F)F ZINC001245805491 1037007109 /nfs/dbraw/zinc/00/71/09/1037007109.db2.gz AJIFERHTTPNMKI-UHFFFAOYSA-N 1 2 379.411 3.670 20 30 GHEDLO C=CCCCNC(=S)NCc1c[nH+]cn1Cc1ccc(C(F)(F)F)cc1 ZINC001247790309 1038383174 /nfs/dbraw/zinc/38/31/74/1038383174.db2.gz NIHMIYPHSGRVMT-UHFFFAOYSA-N 1 2 382.455 3.881 20 30 GHEDLO CC(C)(C)OC(=O)c1ccc(N2CC[NH+](Cc3ccc(C#N)s3)CC2)cc1 ZINC001232847017 1038595873 /nfs/dbraw/zinc/59/58/73/1038595873.db2.gz QSSCKQBLEDVGNX-UHFFFAOYSA-N 1 2 383.517 3.897 20 30 GHEDLO CC(C)c1nccc([C@@H]2C[C@@H]3CC[N@H+](Cc4cc(F)ccc4C#N)C[C@H]3O2)n1 ZINC001232889340 1038673912 /nfs/dbraw/zinc/67/39/12/1038673912.db2.gz GJFKJNZSVLMQMV-ONGXBYRLSA-N 1 2 380.467 3.963 20 30 GHEDLO CC(C)c1nccc([C@@H]2C[C@@H]3CC[N@@H+](Cc4cc(F)ccc4C#N)C[C@H]3O2)n1 ZINC001232889340 1038673917 /nfs/dbraw/zinc/67/39/17/1038673917.db2.gz GJFKJNZSVLMQMV-ONGXBYRLSA-N 1 2 380.467 3.963 20 30 GHEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001232891837 1038682985 /nfs/dbraw/zinc/68/29/85/1038682985.db2.gz UJPGOBUWUZUIDW-RBBKRZOGSA-N 1 2 381.451 3.542 20 30 GHEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001232891837 1038682988 /nfs/dbraw/zinc/68/29/88/1038682988.db2.gz UJPGOBUWUZUIDW-RBBKRZOGSA-N 1 2 381.451 3.542 20 30 GHEDLO N#Cc1cc(C[N@@H+]2CC[C@H](F)[C@](O)(C(F)(F)F)CC2)ccc1Br ZINC001232894388 1038684749 /nfs/dbraw/zinc/68/47/49/1038684749.db2.gz ZALKWSOVPOYKPB-KBPBESRZSA-N 1 2 395.194 3.548 20 30 GHEDLO N#Cc1cc(C[N@H+]2CC[C@H](F)[C@](O)(C(F)(F)F)CC2)ccc1Br ZINC001232894388 1038684816 /nfs/dbraw/zinc/68/48/16/1038684816.db2.gz ZALKWSOVPOYKPB-KBPBESRZSA-N 1 2 395.194 3.548 20 30 GHEDLO COc1cc(Br)cn2ncc(C[N@@H+]3CCc4ccc(C#N)cc4C3)c12 ZINC001233022925 1038775219 /nfs/dbraw/zinc/77/52/19/1038775219.db2.gz SKIHZNBVWXQQJN-UHFFFAOYSA-N 1 2 397.276 3.535 20 30 GHEDLO COc1cc(Br)cn2ncc(C[N@H+]3CCc4ccc(C#N)cc4C3)c12 ZINC001233022925 1038775228 /nfs/dbraw/zinc/77/52/28/1038775228.db2.gz SKIHZNBVWXQQJN-UHFFFAOYSA-N 1 2 397.276 3.535 20 30 GHEDLO C[C@@H](Oc1ncc(C(F)(F)F)cc1C#N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001233505928 1039397032 /nfs/dbraw/zinc/39/70/32/1039397032.db2.gz ACLVAZFKWUPCGL-KDOFPFPSSA-N 1 2 391.393 3.640 20 30 GHEDLO C[C@@H](Oc1ncc(C(F)(F)F)cc1C#N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001233505928 1039397067 /nfs/dbraw/zinc/39/70/67/1039397067.db2.gz ACLVAZFKWUPCGL-KDOFPFPSSA-N 1 2 391.393 3.640 20 30 GHEDLO C=CCCCCCC[C@H](O)C[N@@H+]1Cc2nnn(CC3CC3)c2[C@@H](COCC)C1 ZINC001253234832 1039490033 /nfs/dbraw/zinc/49/00/33/1039490033.db2.gz FYJPMYRPUXGKPP-UXHICEINSA-N 1 2 390.572 3.511 20 30 GHEDLO C=CCCCCCC[C@H](O)C[N@H+]1Cc2nnn(CC3CC3)c2[C@@H](COCC)C1 ZINC001253234832 1039490038 /nfs/dbraw/zinc/49/00/38/1039490038.db2.gz FYJPMYRPUXGKPP-UXHICEINSA-N 1 2 390.572 3.511 20 30 GHEDLO N#Cc1ccc(C(F)(F)F)cc1OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001233731975 1039575223 /nfs/dbraw/zinc/57/52/23/1039575223.db2.gz GRLZAIOBWALNGA-GOSISDBHSA-N 1 2 376.378 3.857 20 30 GHEDLO N#Cc1ccc(C(F)(F)F)cc1OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001233731975 1039575238 /nfs/dbraw/zinc/57/52/38/1039575238.db2.gz GRLZAIOBWALNGA-GOSISDBHSA-N 1 2 376.378 3.857 20 30 GHEDLO CCCCCCCCCCCC[C@@H](O)CN[C@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001253565317 1039706036 /nfs/dbraw/zinc/70/60/36/1039706036.db2.gz MFHWWMVZBJAOFI-NHCUHLMSSA-N 1 2 395.588 3.766 20 30 GHEDLO CC[C@@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2ccc(C#N)c(Br)c2)C1=O ZINC001277867721 1040152240 /nfs/dbraw/zinc/15/22/40/1040152240.db2.gz MRSUYIPAPOKWGS-AUUYWEPGSA-N 1 2 390.325 3.686 20 30 GHEDLO CC[C@@H](C)N1CC[C@]2(CCC[N@H+]2Cc2ccc(C#N)c(Br)c2)C1=O ZINC001277867721 1040152244 /nfs/dbraw/zinc/15/22/44/1040152244.db2.gz MRSUYIPAPOKWGS-AUUYWEPGSA-N 1 2 390.325 3.686 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC001254356818 1040189512 /nfs/dbraw/zinc/18/95/12/1040189512.db2.gz YGYKOVOMUUKKNM-HXUWFJFHSA-N 1 2 399.560 3.655 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC001254356818 1040189517 /nfs/dbraw/zinc/18/95/17/1040189517.db2.gz YGYKOVOMUUKKNM-HXUWFJFHSA-N 1 2 399.560 3.655 20 30 GHEDLO C=CCc1c(OC2C[NH+](C(C)C)C2)c2cccnc2n(-c2ccccc2)c1=O ZINC001234903861 1040418865 /nfs/dbraw/zinc/41/88/65/1040418865.db2.gz TUVIJRAGMFSKPL-UHFFFAOYSA-N 1 2 375.472 3.586 20 30 GHEDLO CC(C)C[C@](C)(C#N)[NH2+]C1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2 ZINC001254720300 1040478053 /nfs/dbraw/zinc/47/80/53/1040478053.db2.gz IRKZDUBRXZLMDX-TWMPVWRBSA-N 1 2 379.545 3.853 20 30 GHEDLO CN(C)c1ccc(Br)cc1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC001236694121 1041835808 /nfs/dbraw/zinc/83/58/08/1041835808.db2.gz FWDLBMMEBHSNCF-UHFFFAOYSA-N 1 2 399.336 3.709 20 30 GHEDLO N#Cc1cc(C[N@@H+]2CCC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)c(F)cc1F ZINC001237538926 1042256149 /nfs/dbraw/zinc/25/61/49/1042256149.db2.gz WDVFOZMULFWISZ-ZDUSSCGKSA-N 1 2 398.335 3.689 20 30 GHEDLO N#Cc1cc(C[N@H+]2CCC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)c(F)cc1F ZINC001237538926 1042256152 /nfs/dbraw/zinc/25/61/52/1042256152.db2.gz WDVFOZMULFWISZ-ZDUSSCGKSA-N 1 2 398.335 3.689 20 30 GHEDLO N#Cc1cc(Cl)cc(C[NH+]2CCN(c3ccc(-c4ncccn4)cc3)CC2)c1 ZINC001237756194 1042355590 /nfs/dbraw/zinc/35/55/90/1042355590.db2.gz XCAANYASSRARGQ-UHFFFAOYSA-N 1 2 389.890 3.991 20 30 GHEDLO N#Cc1ccc(C[N@H+]2Cc3cncn3C[C@@H](COc3ccccn3)C2)c(Cl)c1 ZINC001238082603 1042485409 /nfs/dbraw/zinc/48/54/09/1042485409.db2.gz KERLLROYVFYYSP-KRWDZBQOSA-N 1 2 393.878 3.514 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2Cc3cncn3C[C@@H](COc3ccccn3)C2)c(Cl)c1 ZINC001238082603 1042485415 /nfs/dbraw/zinc/48/54/15/1042485415.db2.gz KERLLROYVFYYSP-KRWDZBQOSA-N 1 2 393.878 3.514 20 30 GHEDLO C[NH+](C)Cc1csc(CNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)n1 ZINC001462817941 1070568844 /nfs/dbraw/zinc/56/88/44/1070568844.db2.gz MHHDWFXFAAWZBE-UHFFFAOYSA-N 1 2 392.484 3.799 20 30 GHEDLO CCCCCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001298231900 1045743430 /nfs/dbraw/zinc/74/34/30/1045743430.db2.gz MEMUTXKSQHSDFM-SJLPKXTDSA-N 1 2 392.544 3.568 20 30 GHEDLO C#CCCCOc1ccc[nH+]c1NCCNC(=O)c1ccccc1C(F)(F)F ZINC001261647631 1046050411 /nfs/dbraw/zinc/05/04/11/1046050411.db2.gz BDCDOESUIMHBAQ-UHFFFAOYSA-N 1 2 391.393 3.735 20 30 GHEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@H]([C@H]2CCCC2(C)C)C1 ZINC001262873947 1046395055 /nfs/dbraw/zinc/39/50/55/1046395055.db2.gz ZDNDSOBUKHBXJM-RBUKOAKNSA-N 1 2 384.572 3.561 20 30 GHEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC(OC2CCCCC2)CC1 ZINC001262952253 1046447511 /nfs/dbraw/zinc/44/75/11/1046447511.db2.gz OCISPUUNNGEEDL-UHFFFAOYSA-N 1 2 387.572 3.768 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[C@H](COc2ccccc2)C1 ZINC001263301325 1046699351 /nfs/dbraw/zinc/69/93/51/1046699351.db2.gz NDYOKHAMUCKCRW-ICSRJNTNSA-N 1 2 381.524 3.526 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[C@H](COc2ccccc2)C1 ZINC001263301325 1046699363 /nfs/dbraw/zinc/69/93/63/1046699363.db2.gz NDYOKHAMUCKCRW-ICSRJNTNSA-N 1 2 381.524 3.526 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC[C@H](C)[C@@H](OC)C1 ZINC001263305315 1046703863 /nfs/dbraw/zinc/70/38/63/1046703863.db2.gz VZILWZXXJCCGDP-OTWHNJEPSA-N 1 2 386.544 3.547 20 30 GHEDLO C[C@@H](c1nnc(N2CCC[C@@H](C#N)C2)n1CC1CC1)[N@H+](C)Cc1ccccc1 ZINC001263755788 1047096087 /nfs/dbraw/zinc/09/60/87/1047096087.db2.gz VOGQCRSWKMZQOV-PXNSSMCTSA-N 1 2 378.524 3.621 20 30 GHEDLO C[C@@H](c1nnc(N2CCC[C@@H](C#N)C2)n1CC1CC1)[N@@H+](C)Cc1ccccc1 ZINC001263755788 1047096102 /nfs/dbraw/zinc/09/61/02/1047096102.db2.gz VOGQCRSWKMZQOV-PXNSSMCTSA-N 1 2 378.524 3.621 20 30 GHEDLO CC(C)Cc1nnc(N(C)[C@@H](C)CC#N)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001302832039 1047129517 /nfs/dbraw/zinc/12/95/17/1047129517.db2.gz CFVSZALBTLNQMS-SFHVURJKSA-N 1 2 391.523 3.508 20 30 GHEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cnc(-c3c(Cl)cccc3Cl)s2)C1 ZINC001303559095 1047429271 /nfs/dbraw/zinc/42/92/71/1047429271.db2.gz UPGHTBUNZAXCDV-LBPRGKRZSA-N 1 2 394.327 3.944 20 30 GHEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnc(-c3c(Cl)cccc3Cl)s2)C1 ZINC001303559095 1047429274 /nfs/dbraw/zinc/42/92/74/1047429274.db2.gz UPGHTBUNZAXCDV-LBPRGKRZSA-N 1 2 394.327 3.944 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2Cc2csc3ccccc23)CC1 ZINC001286473278 1048336201 /nfs/dbraw/zinc/33/62/01/1048336201.db2.gz ZKVARVLKKXXXPR-QGZVFWFLSA-N 1 2 393.560 3.810 20 30 GHEDLO C=CC1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001286665071 1048430314 /nfs/dbraw/zinc/43/03/14/1048430314.db2.gz QVKZIARRUJJJSL-UHFFFAOYSA-N 1 2 394.567 3.923 20 30 GHEDLO N#Cc1cccc(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)c1Br ZINC001288267504 1049024198 /nfs/dbraw/zinc/02/41/98/1049024198.db2.gz RJIVFXKAECJNOQ-KRWDZBQOSA-N 1 2 395.260 3.689 20 30 GHEDLO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CCc3cc(C(C)(C)C)ccc3C2)c1 ZINC001307444095 1049279829 /nfs/dbraw/zinc/27/98/29/1049279829.db2.gz MLWNDDVFZOYAMT-UHFFFAOYSA-N 1 2 389.499 3.672 20 30 GHEDLO C#Cc1cccc(NC(=O)NC(=O)C[N@H+]2CCc3cc(C(C)(C)C)ccc3C2)c1 ZINC001307444095 1049279835 /nfs/dbraw/zinc/27/98/35/1049279835.db2.gz MLWNDDVFZOYAMT-UHFFFAOYSA-N 1 2 389.499 3.672 20 30 GHEDLO Cc1cn2c([nH+]1)[C@H](Cn1c(N3CCC[C@](C)(C#N)C3)nnc1C(C)(C)C)CCC2 ZINC001290296186 1049793711 /nfs/dbraw/zinc/79/37/11/1049793711.db2.gz QQJBIDGXGIZBRG-HTAPYJJXSA-N 1 2 395.555 3.788 20 30 GHEDLO N#Cc1c(NC(=O)C[N@@H+]2CCCC[C@H]2[C@@H]2CCCO2)sc2c1CCCCC2 ZINC001308162584 1049894175 /nfs/dbraw/zinc/89/41/75/1049894175.db2.gz VUCCPDMODVFSOB-ROUUACIJSA-N 1 2 387.549 3.861 20 30 GHEDLO N#Cc1c(NC(=O)C[N@H+]2CCCC[C@H]2[C@@H]2CCCO2)sc2c1CCCCC2 ZINC001308162584 1049894180 /nfs/dbraw/zinc/89/41/80/1049894180.db2.gz VUCCPDMODVFSOB-ROUUACIJSA-N 1 2 387.549 3.861 20 30 GHEDLO C#Cc1ccc(C[NH2+]Cc2c(Br)cncc2Br)cc1 ZINC001308411902 1049970401 /nfs/dbraw/zinc/97/04/01/1049970401.db2.gz ZSIBOXRCUATLIA-UHFFFAOYSA-N 1 2 380.083 3.878 20 30 GHEDLO Cc1csc2nc(C)c(C[N@@H+]3CCCN(Cc4ccc(C#N)cc4)CC3)n12 ZINC001308645469 1050045869 /nfs/dbraw/zinc/04/58/69/1050045869.db2.gz MHEOZYWAIICBDD-UHFFFAOYSA-N 1 2 379.533 3.592 20 30 GHEDLO Cc1csc2nc(C)c(C[N@H+]3CCCN(Cc4ccc(C#N)cc4)CC3)n12 ZINC001308645469 1050045873 /nfs/dbraw/zinc/04/58/73/1050045873.db2.gz MHEOZYWAIICBDD-UHFFFAOYSA-N 1 2 379.533 3.592 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC001332834168 1051580617 /nfs/dbraw/zinc/58/06/17/1051580617.db2.gz UAFVRLRZCIPPJJ-ZDUSSCGKSA-N 1 2 389.550 3.921 20 30 GHEDLO Cc1cccc(C)c1NC(=O)CCC[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC001335678874 1052150268 /nfs/dbraw/zinc/15/02/68/1052150268.db2.gz NGSDDWZLOPATCQ-QHCPKHFHSA-N 1 2 376.504 3.975 20 30 GHEDLO Cc1cccc(C)c1NC(=O)CCC[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC001335678874 1052150273 /nfs/dbraw/zinc/15/02/73/1052150273.db2.gz NGSDDWZLOPATCQ-QHCPKHFHSA-N 1 2 376.504 3.975 20 30 GHEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@@H](OCCC)CC1 ZINC001342342144 1053117535 /nfs/dbraw/zinc/11/75/35/1053117535.db2.gz SBMNKZSEYHFJQZ-LJQANCHMSA-N 1 2 375.561 3.626 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC(COC)CC1 ZINC001342672041 1053291145 /nfs/dbraw/zinc/29/11/45/1053291145.db2.gz FNOVZVQOIAAXPU-IBGZPJMESA-N 1 2 397.567 3.910 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC(COC)CC1 ZINC001342672041 1053291157 /nfs/dbraw/zinc/29/11/57/1053291157.db2.gz FNOVZVQOIAAXPU-IBGZPJMESA-N 1 2 397.567 3.910 20 30 GHEDLO CC(C)Cn1c([C@@H](C)CCC#N)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001343482389 1053799133 /nfs/dbraw/zinc/79/91/33/1053799133.db2.gz LOMUWQSXHKTIOJ-KRWDZBQOSA-N 1 2 381.528 3.817 20 30 GHEDLO C#CC[C@@H]1CCCN(c2nnc([C@@H]3CCCC[N@H+]3C)n2Cc2cccs2)C1 ZINC001344787741 1054742198 /nfs/dbraw/zinc/74/21/98/1054742198.db2.gz YBJWCYJZSBCFAD-MJGOQNOKSA-N 1 2 383.565 3.784 20 30 GHEDLO C#CC[C@@H]1CCCN(c2nnc([C@@H]3CCCC[N@@H+]3C)n2Cc2cccs2)C1 ZINC001344787741 1054742211 /nfs/dbraw/zinc/74/22/11/1054742211.db2.gz YBJWCYJZSBCFAD-MJGOQNOKSA-N 1 2 383.565 3.784 20 30 GHEDLO CCCCN(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1Cc1cccs1 ZINC001344908878 1054798151 /nfs/dbraw/zinc/79/81/51/1054798151.db2.gz CYNZFVGUWSWAMH-UHFFFAOYSA-N 1 2 386.569 3.717 20 30 GHEDLO CC(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@@H](c2ccco2)C1 ZINC001345110189 1054906677 /nfs/dbraw/zinc/90/66/77/1054906677.db2.gz KODZMWXIVDKYQB-LJQANCHMSA-N 1 2 396.539 3.614 20 30 GHEDLO COC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)c1C#N ZINC001319813383 1055482645 /nfs/dbraw/zinc/48/26/45/1055482645.db2.gz ZNQQGBQZVHHUBL-NSHDSACASA-N 1 2 378.350 3.936 20 30 GHEDLO CCCCCCCCCCCCNC(=S)N1CC[N@H+](C)C[C@H]1C(=O)OC ZINC001200503450 1056146015 /nfs/dbraw/zinc/14/60/15/1056146015.db2.gz DJKXOILFSBCUES-SFHVURJKSA-N 1 2 385.618 3.571 20 30 GHEDLO CCCCCCCCCCCCNC(=S)N1CC[N@@H+](C)C[C@H]1C(=O)OC ZINC001200503450 1056146019 /nfs/dbraw/zinc/14/60/19/1056146019.db2.gz DJKXOILFSBCUES-SFHVURJKSA-N 1 2 385.618 3.571 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2CCSc2ccc(C)cc2)CC1 ZINC001300683802 1056863767 /nfs/dbraw/zinc/86/37/67/1056863767.db2.gz TUUZCFGZLLUJOT-IBGZPJMESA-N 1 2 397.592 3.648 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(CC)cc3)n2CC2=CCCCC2)CC1 ZINC001300690960 1056885795 /nfs/dbraw/zinc/88/57/95/1056885795.db2.gz UBIYUTZHZOOXPW-UHFFFAOYSA-N 1 2 389.547 3.763 20 30 GHEDLO N#CCCCC[C@H]([NH3+])c1nc(-c2ccc3[nH]c(-c4cscn4)nc3c2)no1 ZINC000848630887 1057214468 /nfs/dbraw/zinc/21/44/68/1057214468.db2.gz AJLAPAYROYXEBJ-LBPRGKRZSA-N 1 2 379.449 3.820 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC[C@H]2OCCC[C@H]2C1 ZINC001356239175 1057443645 /nfs/dbraw/zinc/44/36/45/1057443645.db2.gz PBQBMOCJHDTQIZ-XUVXKRRUSA-N 1 2 398.555 3.692 20 30 GHEDLO N#CCCCOc1cccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccncc2)c1 ZINC001338806166 1058797498 /nfs/dbraw/zinc/79/74/98/1058797498.db2.gz KIUMBBXSLVSJCM-NRFANRHFSA-N 1 2 378.476 3.757 20 30 GHEDLO N#CCCCOc1cccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccncc2)c1 ZINC001338806166 1058797514 /nfs/dbraw/zinc/79/75/14/1058797514.db2.gz KIUMBBXSLVSJCM-NRFANRHFSA-N 1 2 378.476 3.757 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC[C@@]2(CC2(F)F)C1 ZINC001339021342 1058927171 /nfs/dbraw/zinc/92/71/71/1058927171.db2.gz BLBLBJIBIVDOOD-VQIMIIECSA-N 1 2 390.482 3.922 20 30 GHEDLO COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC001442874180 1059023361 /nfs/dbraw/zinc/02/33/61/1059023361.db2.gz FXNXBOHKSYRPRH-MRXNPFEDSA-N 1 2 388.427 3.757 20 30 GHEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCC[C@H]1c1ccccc1 ZINC001340195218 1059754855 /nfs/dbraw/zinc/75/48/55/1059754855.db2.gz ITIZBSOCUSQBDJ-ACRUOGEOSA-N 1 2 393.535 3.731 20 30 GHEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCC[C@H]1c1ccccc1 ZINC001340195218 1059754879 /nfs/dbraw/zinc/75/48/79/1059754879.db2.gz ITIZBSOCUSQBDJ-ACRUOGEOSA-N 1 2 393.535 3.731 20 30 GHEDLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)C#Cc1cccs1 ZINC001446515865 1059786942 /nfs/dbraw/zinc/78/69/42/1059786942.db2.gz NVKUOGCZNWYJBR-LAUBAEHRSA-N 1 2 381.545 3.562 20 30 GHEDLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C#Cc1cccs1 ZINC001446515865 1059786960 /nfs/dbraw/zinc/78/69/60/1059786960.db2.gz NVKUOGCZNWYJBR-LAUBAEHRSA-N 1 2 381.545 3.562 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC[C@@H](OC2CCC2)C1 ZINC001340515605 1059959002 /nfs/dbraw/zinc/95/90/02/1059959002.db2.gz DCXDVXHHQDSMBX-WOJBJXKFSA-N 1 2 398.555 3.834 20 30 GHEDLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(C(=O)NCc2cccc(OCC#N)c2)C1 ZINC001340678670 1060042433 /nfs/dbraw/zinc/04/24/33/1060042433.db2.gz NWAUAWWOMZCYTO-GOSISDBHSA-N 1 2 395.507 3.630 20 30 GHEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CC[C@@H](c2ccccc2)[C@@H]1C ZINC001341756306 1060865353 /nfs/dbraw/zinc/86/53/53/1060865353.db2.gz RORIGOLDGRHQNC-PKOBYXMFSA-N 1 2 376.508 3.561 20 30 GHEDLO C=C(C)Cn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N(C)CC1(C)COC1 ZINC001341901685 1060943281 /nfs/dbraw/zinc/94/32/81/1060943281.db2.gz DELHCMVXQZFDEP-GOSISDBHSA-N 1 2 383.540 3.520 20 30 GHEDLO C=C(C)Cn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N(C)CC1(C)COC1 ZINC001341901685 1060943285 /nfs/dbraw/zinc/94/32/85/1060943285.db2.gz DELHCMVXQZFDEP-GOSISDBHSA-N 1 2 383.540 3.520 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC001342071680 1061039387 /nfs/dbraw/zinc/03/93/87/1061039387.db2.gz NBNLIDYHEMEGIX-GRDNDAEWSA-N 1 2 384.355 3.641 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC001342071680 1061039393 /nfs/dbraw/zinc/03/93/93/1061039393.db2.gz NBNLIDYHEMEGIX-GRDNDAEWSA-N 1 2 384.355 3.641 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC(Oc2cccc(F)c2)CC1 ZINC001346188199 1061437481 /nfs/dbraw/zinc/43/74/81/1061437481.db2.gz TUOHLZGSJGRWKR-HXUWFJFHSA-N 1 2 399.514 3.808 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC(Oc2cccc(F)c2)CC1 ZINC001346188199 1061437488 /nfs/dbraw/zinc/43/74/88/1061437488.db2.gz TUOHLZGSJGRWKR-HXUWFJFHSA-N 1 2 399.514 3.808 20 30 GHEDLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC001455452104 1062158584 /nfs/dbraw/zinc/15/85/84/1062158584.db2.gz CGKBTPGKKPVEFS-IBGZPJMESA-N 1 2 387.405 3.885 20 30 GHEDLO COc1cc(C#N)cc(Cl)c1OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001348456183 1063086678 /nfs/dbraw/zinc/08/66/78/1063086678.db2.gz NFTDSUHAEQMMPX-UHFFFAOYSA-N 1 2 398.762 3.533 20 30 GHEDLO N#Cc1cnc(N2CC[NH+]([C@@H](CO)c3ccc(Cl)cc3)CC2)c2sccc21 ZINC001458180693 1063633756 /nfs/dbraw/zinc/63/37/56/1063633756.db2.gz LXDBFIDDXFENLL-SFHVURJKSA-N 1 2 398.919 3.677 20 30 GHEDLO COCC[N@H+](CC(=O)[C@H]1CC[C@@H](C(F)(F)F)CC1)Cc1ccc(C#N)cc1 ZINC001459421354 1064095053 /nfs/dbraw/zinc/09/50/53/1064095053.db2.gz CYHCOWDPIJRNGE-HDICACEKSA-N 1 2 382.426 3.944 20 30 GHEDLO COCC[N@@H+](CC(=O)[C@H]1CC[C@@H](C(F)(F)F)CC1)Cc1ccc(C#N)cc1 ZINC001459421354 1064095059 /nfs/dbraw/zinc/09/50/59/1064095059.db2.gz CYHCOWDPIJRNGE-HDICACEKSA-N 1 2 382.426 3.944 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](CCc3ccccc3Br)CC2)c(F)c1 ZINC001459432432 1064097626 /nfs/dbraw/zinc/09/76/26/1064097626.db2.gz KCIUCUZTNKIYGF-UHFFFAOYSA-N 1 2 388.284 3.825 20 30 GHEDLO N#CC1CCN(c2nnc([C@H]3CCC[N@@H+]3Cc3ccccc3)n2CC2CC2)CC1 ZINC001351269191 1064338849 /nfs/dbraw/zinc/33/88/49/1064338849.db2.gz YJDFBCUHMJYLGF-OAQYLSRUSA-N 1 2 390.535 3.765 20 30 GHEDLO N#CC1CCN(c2nnc([C@H]3CCC[N@H+]3Cc3ccccc3)n2CC2CC2)CC1 ZINC001351269191 1064338860 /nfs/dbraw/zinc/33/88/60/1064338860.db2.gz YJDFBCUHMJYLGF-OAQYLSRUSA-N 1 2 390.535 3.765 20 30 GHEDLO C=CCn1c([C@@H]2CCC[N@@H+]2Cc2ccccc2)nnc1N1CCC[C@@H](C#N)C1 ZINC001351828392 1064630225 /nfs/dbraw/zinc/63/02/25/1064630225.db2.gz BDYSLDRJFAIMJT-PMACEKPBSA-N 1 2 376.508 3.541 20 30 GHEDLO C=CCn1c([C@@H]2CCC[N@H+]2Cc2ccccc2)nnc1N1CCC[C@@H](C#N)C1 ZINC001351828392 1064630228 /nfs/dbraw/zinc/63/02/28/1064630228.db2.gz BDYSLDRJFAIMJT-PMACEKPBSA-N 1 2 376.508 3.541 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2Cc2ccccc2)nnc1N1CCC[C@H]1CC ZINC001352093835 1064831210 /nfs/dbraw/zinc/83/12/10/1064831210.db2.gz PFEIXTULCOGJAD-LJQANCHMSA-N 1 2 376.508 3.679 20 30 GHEDLO Cc1[nH]c2ccc(NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)cc2[nH+]1 ZINC000847308936 1065025812 /nfs/dbraw/zinc/02/58/12/1065025812.db2.gz XATNTYPZVQQHDN-INIZCTEOSA-N 1 2 385.468 3.787 20 30 GHEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1cc(-c2ccc(CC)cc2)nn1-c1ccccc1 ZINC001473432792 1067559190 /nfs/dbraw/zinc/55/91/90/1067559190.db2.gz PAHUPVYKVAHOIP-SFHVURJKSA-N 1 2 386.499 3.994 20 30 GHEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1cc(-c2ccc(CC)cc2)nn1-c1ccccc1 ZINC001473432792 1067559195 /nfs/dbraw/zinc/55/91/95/1067559195.db2.gz PAHUPVYKVAHOIP-SFHVURJKSA-N 1 2 386.499 3.994 20 30 GHEDLO C=CCC(C)(C)Cn1c(N2CCN(c3cc[nH+]c(C)n3)CC2)nnc1C(C)(C)C ZINC001359192612 1067760800 /nfs/dbraw/zinc/76/08/00/1067760800.db2.gz JZULNJDPWKNVCF-UHFFFAOYSA-N 1 2 397.571 3.603 20 30 GHEDLO C=CCN(c1nnc(C(C)(C)C)n1Cc1ccc(N2CCCC2)[nH+]c1)C1CC1 ZINC001359245845 1067871508 /nfs/dbraw/zinc/87/15/08/1067871508.db2.gz GIYPQWALKWWDLL-UHFFFAOYSA-N 1 2 380.540 3.774 20 30 GHEDLO C=CCN(c1nnc(Cc2ccccc2C)n1Cc1c[nH+]ccc1OC)C1CC1 ZINC001359252453 1067904758 /nfs/dbraw/zinc/90/47/58/1067904758.db2.gz RVHIVYCMZXHEGR-UHFFFAOYSA-N 1 2 389.503 3.784 20 30 GHEDLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)[C@@H]2CCCC[C@@H]12 ZINC001460358096 1068940185 /nfs/dbraw/zinc/94/01/85/1068940185.db2.gz BTZGVUQSFQKJEZ-RCCFBDPRSA-N 1 2 391.309 3.874 20 30 GHEDLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)[C@@H]2CCCC[C@@H]12 ZINC001460358096 1068940187 /nfs/dbraw/zinc/94/01/87/1068940187.db2.gz BTZGVUQSFQKJEZ-RCCFBDPRSA-N 1 2 391.309 3.874 20 30 GHEDLO C#CCOc1ccc(CNC(=O)N2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)cc1 ZINC001478685874 1078955952 /nfs/dbraw/zinc/95/59/52/1078955952.db2.gz NDNQJPKAFSOFES-IBGZPJMESA-N 1 2 394.519 3.739 20 30 GHEDLO N#Cc1ccccc1-c1ccccc1C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001471142159 1072939247 /nfs/dbraw/zinc/93/92/47/1072939247.db2.gz ZJBLJFCSKRRBCG-UHFFFAOYSA-N 1 2 397.478 3.889 20 30 GHEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)C1 ZINC001471336376 1073025138 /nfs/dbraw/zinc/02/51/38/1073025138.db2.gz KVCWVXUILSOYCJ-VQIMIIECSA-N 1 2 399.926 3.551 20 30 GHEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)C1 ZINC001471336376 1073025143 /nfs/dbraw/zinc/02/51/43/1073025143.db2.gz KVCWVXUILSOYCJ-VQIMIIECSA-N 1 2 399.926 3.551 20 30 GHEDLO N#CCc1ccc(Oc2ccc(C(=O)N[C@@H]3CCC[N@@H+](CCF)C3)cc2)cc1 ZINC001472588956 1073564020 /nfs/dbraw/zinc/56/40/20/1073564020.db2.gz JRLUTHJEPLUMAH-LJQANCHMSA-N 1 2 381.451 3.709 20 30 GHEDLO N#CCc1ccc(Oc2ccc(C(=O)N[C@@H]3CCC[N@H+](CCF)C3)cc2)cc1 ZINC001472588956 1073564026 /nfs/dbraw/zinc/56/40/26/1073564026.db2.gz JRLUTHJEPLUMAH-LJQANCHMSA-N 1 2 381.451 3.709 20 30 GHEDLO O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)N(O)Cc2ccccc2Cl)c1 ZINC001472619165 1073579821 /nfs/dbraw/zinc/57/98/21/1073579821.db2.gz ZELOFYGAPYXGFJ-UHFFFAOYSA-N 1 2 398.850 3.597 20 30 GHEDLO CC#CCNc1nc(C[NH+]2CCCCC2)nc2sc(C(=O)OCC)c(C)c21 ZINC001472747482 1073647368 /nfs/dbraw/zinc/64/73/68/1073647368.db2.gz UXMNOIRFELVYHB-UHFFFAOYSA-N 1 2 386.521 3.598 20 30 GHEDLO C=CC[N@H+](CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)[C@@H](C)COC ZINC001473637572 1074060704 /nfs/dbraw/zinc/06/07/04/1074060704.db2.gz STLOZLHUEYWQMW-LBPRGKRZSA-N 1 2 381.448 3.550 20 30 GHEDLO C=CC[N@@H+](CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)[C@@H](C)COC ZINC001473637572 1074060710 /nfs/dbraw/zinc/06/07/10/1074060710.db2.gz STLOZLHUEYWQMW-LBPRGKRZSA-N 1 2 381.448 3.550 20 30 GHEDLO COc1ccc(-c2cc(C[NH+]3CCN(c4ccc(F)cc4C#N)CC3)on2)cc1 ZINC001473726161 1074110873 /nfs/dbraw/zinc/11/08/73/1074110873.db2.gz VDFLHIIWPODCFS-UHFFFAOYSA-N 1 2 392.434 3.683 20 30 GHEDLO C=CC[N@@H+](Cc1nc2c(cccc2F)n1CC)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735426895 598683456 /nfs/dbraw/zinc/68/34/56/598683456.db2.gz ZIPCTKATGQDCHT-UHFFFAOYSA-N 1 2 391.454 3.564 20 30 GHEDLO C=CC[N@H+](Cc1nc2c(cccc2F)n1CC)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735426895 598683458 /nfs/dbraw/zinc/68/34/58/598683458.db2.gz ZIPCTKATGQDCHT-UHFFFAOYSA-N 1 2 391.454 3.564 20 30 GHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](Cc2cccnc2)C2CC2)c1C#N ZINC000180740399 837506530 /nfs/dbraw/zinc/50/65/30/837506530.db2.gz YHBCCFDDFKUNGO-UHFFFAOYSA-N 1 2 399.498 3.964 20 30 GHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](Cc2cccnc2)C2CC2)c1C#N ZINC000180740399 837506540 /nfs/dbraw/zinc/50/65/40/837506540.db2.gz YHBCCFDDFKUNGO-UHFFFAOYSA-N 1 2 399.498 3.964 20 30 GHEDLO CCCCOc1ccccc1C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000613539832 837783912 /nfs/dbraw/zinc/78/39/12/837783912.db2.gz SLHOPCWLOYPLMF-UHFFFAOYSA-N 1 2 380.492 3.925 20 30 GHEDLO C[C@H]([NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1nc(Cc2ccccc2)no1 ZINC000181065163 837814495 /nfs/dbraw/zinc/81/44/95/837814495.db2.gz HCIPPXBSRGALJW-INIZCTEOSA-N 1 2 398.470 3.783 20 30 GHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)NCCc1ccccc1C ZINC000512527012 844062222 /nfs/dbraw/zinc/06/22/22/844062222.db2.gz MSKYDNJVEIFCST-HXUWFJFHSA-N 1 2 382.552 3.898 20 30 GHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)NCCc1ccccc1C ZINC000512527012 844062227 /nfs/dbraw/zinc/06/22/27/844062227.db2.gz MSKYDNJVEIFCST-HXUWFJFHSA-N 1 2 382.552 3.898 20 30 GHEDLO C[C@]1(C#N)CCCN(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000612124947 835560674 /nfs/dbraw/zinc/56/06/74/835560674.db2.gz WPIMWKUBWUSLHM-YLJYHZDGSA-N 1 2 392.906 3.779 20 30 GHEDLO C[C@]1(C#N)CCCN(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000612124947 835560681 /nfs/dbraw/zinc/56/06/81/835560681.db2.gz WPIMWKUBWUSLHM-YLJYHZDGSA-N 1 2 392.906 3.779 20 30 GHEDLO COc1cccc(N2CC[NH+](Cc3ccc(C#N)cc3C(F)(F)F)CC2)c1 ZINC000573172725 835839208 /nfs/dbraw/zinc/83/92/08/835839208.db2.gz CHHOXLTVZYURPX-UHFFFAOYSA-N 1 2 375.394 3.908 20 30 GHEDLO CC(C)(C)c1ccc(C#N)c(NCc2cccc(OCC[NH+]3CCOCC3)c2)n1 ZINC000613416924 836345558 /nfs/dbraw/zinc/34/55/58/836345558.db2.gz PVXYZPXZNRAGCO-UHFFFAOYSA-N 1 2 394.519 3.574 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)NCc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000247104300 836823545 /nfs/dbraw/zinc/82/35/45/836823545.db2.gz WLNOEVFIXLAOJH-RBUKOAKNSA-N 1 2 386.858 3.595 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)NCc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000247104300 836823557 /nfs/dbraw/zinc/82/35/57/836823557.db2.gz WLNOEVFIXLAOJH-RBUKOAKNSA-N 1 2 386.858 3.595 20 30 GHEDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1ccccc1Sc1ccccc1C#N ZINC000170863994 836837941 /nfs/dbraw/zinc/83/79/41/836837941.db2.gz BFRVLEXKAMTNBT-UHFFFAOYSA-N 1 2 395.528 3.550 20 30 GHEDLO CC1(C)COCC[N@H+]1CCNC(=O)c1ccccc1Sc1ccccc1C#N ZINC000170863994 836837947 /nfs/dbraw/zinc/83/79/47/836837947.db2.gz BFRVLEXKAMTNBT-UHFFFAOYSA-N 1 2 395.528 3.550 20 30 GHEDLO N#CC1(F)CC[NH+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000510938077 844219720 /nfs/dbraw/zinc/21/97/20/844219720.db2.gz QIOXEQAJYGTVRM-INIZCTEOSA-N 1 2 383.389 3.524 20 30 GHEDLO N#Cc1ccc(OC2CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)CC2)c(F)c1 ZINC000376421819 837098718 /nfs/dbraw/zinc/09/87/18/837098718.db2.gz ACJKSLFGSRARND-UHFFFAOYSA-N 1 2 390.418 3.567 20 30 GHEDLO N#CCSc1cccc(C(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)c1 ZINC000472591242 837249291 /nfs/dbraw/zinc/24/92/91/837249291.db2.gz PZTLXTCRMILWLM-HOTGVXAUSA-N 1 2 389.521 3.706 20 30 GHEDLO N#CCSc1cccc(C(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)c1 ZINC000472591242 837249302 /nfs/dbraw/zinc/24/93/02/837249302.db2.gz PZTLXTCRMILWLM-HOTGVXAUSA-N 1 2 389.521 3.706 20 30 GHEDLO N#Cc1ccc(S(=O)(=O)Oc2ccc(-n3cc[nH+]c3)cc2)cc1C(F)(F)F ZINC000177625911 838127224 /nfs/dbraw/zinc/12/72/24/838127224.db2.gz XWQZAFLKRXKGLD-UHFFFAOYSA-N 1 2 393.346 3.530 20 30 GHEDLO N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccn3)cn2)cc1 ZINC000610422509 839272786 /nfs/dbraw/zinc/27/27/86/839272786.db2.gz NAXSTALGWOTUOU-NRFANRHFSA-N 1 2 399.454 3.744 20 30 GHEDLO N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccccn3)cn2)cc1 ZINC000610422509 839272799 /nfs/dbraw/zinc/27/27/99/839272799.db2.gz NAXSTALGWOTUOU-NRFANRHFSA-N 1 2 399.454 3.744 20 30 GHEDLO Cc1ccccc1O[C@@H](C)C(=O)N1CC[NH+](Cc2c(C)cc(C#N)cc2C)CC1 ZINC001167391518 839462906 /nfs/dbraw/zinc/46/29/06/839462906.db2.gz JTVWMISQWQALTE-FQEVSTJZSA-N 1 2 391.515 3.595 20 30 GHEDLO N#CCCC1CC[NH+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 ZINC000582060606 839467599 /nfs/dbraw/zinc/46/75/99/839467599.db2.gz RUOQIYVGQLRKJZ-UHFFFAOYSA-N 1 2 399.476 3.673 20 30 GHEDLO CCC#C[C@H](C)[NH+]1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC001167911904 844449738 /nfs/dbraw/zinc/44/97/38/844449738.db2.gz MMARAFINHQOYEV-HNNXBMFYSA-N 1 2 392.425 3.675 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000275888415 839594790 /nfs/dbraw/zinc/59/47/90/839594790.db2.gz HIUFNXCLYJELLS-SFHVURJKSA-N 1 2 383.883 3.589 20 30 GHEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000064955718 840218048 /nfs/dbraw/zinc/21/80/48/840218048.db2.gz ZGBSOTUVZOHJLW-KRWDZBQOSA-N 1 2 391.450 3.694 20 30 GHEDLO N#Cc1c[nH]c(C(=O)N(CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)c1 ZINC000177841335 840331110 /nfs/dbraw/zinc/33/11/10/840331110.db2.gz VTKUNTMGUSUMDU-UHFFFAOYSA-N 1 2 385.830 3.608 20 30 GHEDLO N#CCc1ccc(Oc2ccc(C(=O)Nc3c[nH+]ccc3-n3ccnn3)cc2)cc1 ZINC000581513225 841573462 /nfs/dbraw/zinc/57/34/62/841573462.db2.gz INHSEVLPKVXPMA-UHFFFAOYSA-N 1 2 396.410 3.773 20 30 GHEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2ccc(C#N)cc2)cc1 ZINC000045294225 841641181 /nfs/dbraw/zinc/64/11/81/841641181.db2.gz DEQTXHYYAWHMQK-UHFFFAOYSA-N 1 2 388.471 3.886 20 30 GHEDLO COc1cc(C[NH+]2C[C@@H](C)C(=O)[C@H](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000661546631 841882519 /nfs/dbraw/zinc/88/25/19/841882519.db2.gz NUHYRBAHBJMPRG-IAGOWNOFSA-N 1 2 378.472 3.803 20 30 GHEDLO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1csc(CNC(=O)c3ccccc3)n1)CC2 ZINC000570556187 842302306 /nfs/dbraw/zinc/30/23/06/842302306.db2.gz UUYMYRIIXIAIFX-FQEVSTJZSA-N 1 2 388.496 3.722 20 30 GHEDLO CC(C)(C)OC(=O)Nc1ccsc1C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000891558484 842317346 /nfs/dbraw/zinc/31/73/46/842317346.db2.gz LGTSJKGZSWPOJY-UHFFFAOYSA-N 1 2 399.520 3.684 20 30 GHEDLO Cc1c(C#N)cccc1NC(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000432283201 842514285 /nfs/dbraw/zinc/51/42/85/842514285.db2.gz DDPWKPCXZYTVGU-UHFFFAOYSA-N 1 2 398.894 3.749 20 30 GHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@@H](C)c2nccs2)c1C#N ZINC000184419846 842718720 /nfs/dbraw/zinc/71/87/20/842718720.db2.gz FKMVBXMYXMGLMB-AWEZNQCLSA-N 1 2 379.489 3.712 20 30 GHEDLO CC(C)(C)Oc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000430766378 842955691 /nfs/dbraw/zinc/95/56/91/842955691.db2.gz HBZUCYDNISYESG-UHFFFAOYSA-N 1 2 377.488 3.694 20 30 GHEDLO O=C(Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2nc(C3CC3)no2)C1)C1CCCC1 ZINC000329405454 861379343 /nfs/dbraw/zinc/37/93/43/861379343.db2.gz ZERFXZZJWUUUFR-OAHLLOKOSA-N 1 2 384.484 3.828 20 30 GHEDLO O=C(Nc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2nc(C3CC3)no2)C1)C1CCCC1 ZINC000329405454 861379361 /nfs/dbraw/zinc/37/93/61/861379361.db2.gz ZERFXZZJWUUUFR-OAHLLOKOSA-N 1 2 384.484 3.828 20 30 GHEDLO CC1(C)COCC[N@@H+]1CCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000728390031 843278554 /nfs/dbraw/zinc/27/85/54/843278554.db2.gz DRKRJYCELGGJCA-NRFANRHFSA-N 1 2 392.503 3.574 20 30 GHEDLO CC1(C)COCC[N@H+]1CCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000728390031 843278565 /nfs/dbraw/zinc/27/85/65/843278565.db2.gz DRKRJYCELGGJCA-NRFANRHFSA-N 1 2 392.503 3.574 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)c(C#N)c1C ZINC000278899921 843637405 /nfs/dbraw/zinc/63/74/05/843637405.db2.gz JQKRNATUYPSPJC-DTWKUNHWSA-N 1 2 386.399 3.921 20 30 GHEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000500617743 843737897 /nfs/dbraw/zinc/73/78/97/843737897.db2.gz MPMIMRMDJFZJPL-SUYBPPKGSA-N 1 2 389.286 3.842 20 30 GHEDLO Cc1nccc([C@@H]2CCC[N@@H+](CC(=O)/C=C3/N(C)c4ccccc4C3(C)C)C2)n1 ZINC000728916877 843947543 /nfs/dbraw/zinc/94/75/43/843947543.db2.gz RPDVLBRPEUNKTP-UEIZDATPSA-N 1 2 390.531 3.845 20 30 GHEDLO Cc1nccc([C@@H]2CCC[N@H+](CC(=O)/C=C3/N(C)c4ccccc4C3(C)C)C2)n1 ZINC000728916877 843947548 /nfs/dbraw/zinc/94/75/48/843947548.db2.gz RPDVLBRPEUNKTP-UEIZDATPSA-N 1 2 390.531 3.845 20 30 GHEDLO C[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)Cc1ccccc1S(N)(=O)=O ZINC000432987040 844862284 /nfs/dbraw/zinc/86/22/84/844862284.db2.gz CJEBENNJGGIYPH-UHFFFAOYSA-N 1 2 391.496 3.505 20 30 GHEDLO C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)Cc1ccccc1S(N)(=O)=O ZINC000432987040 844862290 /nfs/dbraw/zinc/86/22/90/844862290.db2.gz CJEBENNJGGIYPH-UHFFFAOYSA-N 1 2 391.496 3.505 20 30 GHEDLO COc1cc(C#N)ccc1OCCCC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000047109024 844877553 /nfs/dbraw/zinc/87/75/53/844877553.db2.gz JWRHHCWVTBYJLG-UHFFFAOYSA-N 1 2 376.416 3.550 20 30 GHEDLO N#CCc1cccc2c1CC[N@@H+](CC(=O)Nc1ccc(Br)cc1)C2 ZINC000599678782 861518024 /nfs/dbraw/zinc/51/80/24/861518024.db2.gz MUDQGSWLWJHIQV-UHFFFAOYSA-N 1 2 384.277 3.512 20 30 GHEDLO N#CCc1cccc2c1CC[N@H+](CC(=O)Nc1ccc(Br)cc1)C2 ZINC000599678782 861518036 /nfs/dbraw/zinc/51/80/36/861518036.db2.gz MUDQGSWLWJHIQV-UHFFFAOYSA-N 1 2 384.277 3.512 20 30 GHEDLO CCN(C(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1)c1nc2ccccc2s1 ZINC000599678549 861517627 /nfs/dbraw/zinc/51/76/27/861517627.db2.gz VHFBCLLBSMNSDT-UHFFFAOYSA-N 1 2 390.512 3.774 20 30 GHEDLO CCN(C(=O)C[N@H+]1CCc2c(CC#N)cccc2C1)c1nc2ccccc2s1 ZINC000599678549 861517642 /nfs/dbraw/zinc/51/76/42/861517642.db2.gz VHFBCLLBSMNSDT-UHFFFAOYSA-N 1 2 390.512 3.774 20 30 GHEDLO COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C[N@@H+]1CC[C@H](F)[C@H](O)C1 ZINC001143421890 845289779 /nfs/dbraw/zinc/28/97/79/845289779.db2.gz MWBDCZRADVQDOU-NWDGAFQWSA-N 1 2 375.284 3.638 20 30 GHEDLO COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C[N@H+]1CC[C@H](F)[C@H](O)C1 ZINC001143421890 845289784 /nfs/dbraw/zinc/28/97/84/845289784.db2.gz MWBDCZRADVQDOU-NWDGAFQWSA-N 1 2 375.284 3.638 20 30 GHEDLO Fc1cc(Br)ccc1N[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000728433040 845428113 /nfs/dbraw/zinc/42/81/13/845428113.db2.gz OSUZEELXTPMAIG-UHFFFAOYSA-N 1 2 378.245 3.871 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000513509865 845552110 /nfs/dbraw/zinc/55/21/10/845552110.db2.gz WAWSPYWABOYISY-UHFFFAOYSA-N 1 2 394.500 3.802 20 30 GHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)CSc3ccc(C#N)cc3)n2)C1 ZINC000119641399 845735930 /nfs/dbraw/zinc/73/59/30/845735930.db2.gz BSJGLSBLPXETOB-AWEZNQCLSA-N 1 2 386.546 3.977 20 30 GHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)CSc3ccc(C#N)cc3)n2)C1 ZINC000119641399 845735940 /nfs/dbraw/zinc/73/59/40/845735940.db2.gz BSJGLSBLPXETOB-AWEZNQCLSA-N 1 2 386.546 3.977 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502549293 846188730 /nfs/dbraw/zinc/18/87/30/846188730.db2.gz VCZNZZXBZFTMFR-OAHLLOKOSA-N 1 2 376.416 3.583 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502549293 846188734 /nfs/dbraw/zinc/18/87/34/846188734.db2.gz VCZNZZXBZFTMFR-OAHLLOKOSA-N 1 2 376.416 3.583 20 30 GHEDLO CC1CC[NH+](Cc2csc(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)n2)CC1 ZINC000280589383 846453210 /nfs/dbraw/zinc/45/32/10/846453210.db2.gz NPSGTNRYBYBXNO-SFHVURJKSA-N 1 2 393.516 3.568 20 30 GHEDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N[C@H]1c2ccccc2C[C@H]1O ZINC000329574351 861693412 /nfs/dbraw/zinc/69/34/12/861693412.db2.gz ARJJIZHMKDCYHT-RTWAWAEBSA-N 1 2 388.471 3.680 20 30 GHEDLO COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000131823522 861732802 /nfs/dbraw/zinc/73/28/02/861732802.db2.gz HECORIJPRRTBLA-INIZCTEOSA-N 1 2 388.427 3.757 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCC=C(c2ccco2)C1 ZINC000511107082 847015019 /nfs/dbraw/zinc/01/50/19/847015019.db2.gz NNVPSPQGVQGEIB-QGZVFWFLSA-N 1 2 379.460 3.713 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCC=C(c2ccco2)C1 ZINC000511107082 847015030 /nfs/dbraw/zinc/01/50/30/847015030.db2.gz NNVPSPQGVQGEIB-QGZVFWFLSA-N 1 2 379.460 3.713 20 30 GHEDLO CC[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)CCC#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000501824552 847211528 /nfs/dbraw/zinc/21/15/28/847211528.db2.gz MCPLFABYILCBRJ-SJLPKXTDSA-N 1 2 396.457 3.868 20 30 GHEDLO CC[N@H+]1CC[C@@H](NC(=O)NCC(C)(C)CCC#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000501824552 847211533 /nfs/dbraw/zinc/21/15/33/847211533.db2.gz MCPLFABYILCBRJ-SJLPKXTDSA-N 1 2 396.457 3.868 20 30 GHEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000511141911 847421405 /nfs/dbraw/zinc/42/14/05/847421405.db2.gz NWKAQMCTXXZRJR-INIZCTEOSA-N 1 2 376.485 3.866 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(OCC4CC4)cc3)CC2)cc1 ZINC000503196964 847456752 /nfs/dbraw/zinc/45/67/52/847456752.db2.gz GWXZZFFZHGKLBY-UHFFFAOYSA-N 1 2 390.487 3.697 20 30 GHEDLO N#CCOc1ccc(CC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)cc1 ZINC000277667949 847498489 /nfs/dbraw/zinc/49/84/89/847498489.db2.gz KEWKMRCIEOXOLI-UHFFFAOYSA-N 1 2 386.455 3.970 20 30 GHEDLO Cc1cccc([C@@H](C)C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)c1 ZINC000329087604 847804614 /nfs/dbraw/zinc/80/46/14/847804614.db2.gz VDLQNAMXSVIYLU-FQELHTAISA-N 1 2 380.492 3.683 20 30 GHEDLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000115596987 847869036 /nfs/dbraw/zinc/86/90/36/847869036.db2.gz ROKHFUULCFSZBI-KSFYIVLOSA-N 1 2 398.466 3.688 20 30 GHEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+](C)[C@H]2CCCc3c2cnn3C)ccc1Cl ZINC000135571189 848145388 /nfs/dbraw/zinc/14/53/88/848145388.db2.gz YMAHPOSREPNAFY-IBGZPJMESA-N 1 2 399.926 3.638 20 30 GHEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+](C)[C@H]2CCCc3c2cnn3C)ccc1Cl ZINC000135571189 848145390 /nfs/dbraw/zinc/14/53/90/848145390.db2.gz YMAHPOSREPNAFY-IBGZPJMESA-N 1 2 399.926 3.638 20 30 GHEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC(=O)CC34CCC4)sc2C1 ZINC000573134604 848880268 /nfs/dbraw/zinc/88/02/68/848880268.db2.gz ODPWPPYKJIYVNM-AWEZNQCLSA-N 1 2 385.533 3.661 20 30 GHEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCC(=O)CC34CCC4)sc2C1 ZINC000573134604 848880272 /nfs/dbraw/zinc/88/02/72/848880272.db2.gz ODPWPPYKJIYVNM-AWEZNQCLSA-N 1 2 385.533 3.661 20 30 GHEDLO CN(CC(C)(C)C#N)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000458379318 849034923 /nfs/dbraw/zinc/03/49/23/849034923.db2.gz NNUMTDXWOGDHCV-MRXNPFEDSA-N 1 2 380.895 3.635 20 30 GHEDLO CN(CC(C)(C)C#N)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000458379318 849034930 /nfs/dbraw/zinc/03/49/30/849034930.db2.gz NNUMTDXWOGDHCV-MRXNPFEDSA-N 1 2 380.895 3.635 20 30 GHEDLO CC1(C#N)CCN(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000503930046 849779313 /nfs/dbraw/zinc/77/93/13/849779313.db2.gz RVPKUTBNBOGQAA-KRWDZBQOSA-N 1 2 392.906 3.779 20 30 GHEDLO CC1(C#N)CCN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000503930046 849779324 /nfs/dbraw/zinc/77/93/24/849779324.db2.gz RVPKUTBNBOGQAA-KRWDZBQOSA-N 1 2 392.906 3.779 20 30 GHEDLO C[C@@H]1c2ccsc2CC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000027474162 850166528 /nfs/dbraw/zinc/16/65/28/850166528.db2.gz DJYNZUOHCLLCNQ-CQSZACIVSA-N 1 2 392.446 3.854 20 30 GHEDLO C[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000027474162 850166536 /nfs/dbraw/zinc/16/65/36/850166536.db2.gz DJYNZUOHCLLCNQ-CQSZACIVSA-N 1 2 392.446 3.854 20 30 GHEDLO C=CCn1c(Cc2ccsc2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000908662298 850255901 /nfs/dbraw/zinc/25/59/01/850255901.db2.gz OAYMBMHUVHTMGP-UHFFFAOYSA-N 1 2 380.521 3.592 20 30 GHEDLO C=CCCc1ccccc1NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000505052715 850573237 /nfs/dbraw/zinc/57/32/37/850573237.db2.gz XDYGBMXWYNGZIJ-NRFANRHFSA-N 1 2 379.504 3.828 20 30 GHEDLO C=CCCc1ccccc1NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000505052715 850573244 /nfs/dbraw/zinc/57/32/44/850573244.db2.gz XDYGBMXWYNGZIJ-NRFANRHFSA-N 1 2 379.504 3.828 20 30 GHEDLO C=CCC1(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CCOCC1 ZINC000424770792 850687419 /nfs/dbraw/zinc/68/74/19/850687419.db2.gz NWUWTVCYRHSDCR-ZWKOTPCHSA-N 1 2 380.891 3.713 20 30 GHEDLO C=CCC1(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CCOCC1 ZINC000424770792 850687424 /nfs/dbraw/zinc/68/74/24/850687424.db2.gz NWUWTVCYRHSDCR-ZWKOTPCHSA-N 1 2 380.891 3.713 20 30 GHEDLO C=CCC[C@@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000487580391 850739397 /nfs/dbraw/zinc/73/93/97/850739397.db2.gz AFSVKBBOJZSTNG-XZOQPEGZSA-N 1 2 378.516 3.754 20 30 GHEDLO C=CCC[C@@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000487580391 850739402 /nfs/dbraw/zinc/73/94/02/850739402.db2.gz AFSVKBBOJZSTNG-XZOQPEGZSA-N 1 2 378.516 3.754 20 30 GHEDLO Cc1oc2ccccc2c1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000467265070 851015222 /nfs/dbraw/zinc/01/52/22/851015222.db2.gz DYRCUELWZORJCO-UHFFFAOYSA-N 1 2 388.471 3.640 20 30 GHEDLO CNC(=O)C[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccc(C#N)c(C)c1 ZINC000488246799 851308646 /nfs/dbraw/zinc/30/86/46/851308646.db2.gz VFVVZFKOYXAULU-UHFFFAOYSA-N 1 2 375.394 3.634 20 30 GHEDLO CNC(=O)C[N@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccc(C#N)c(C)c1 ZINC000488246799 851308652 /nfs/dbraw/zinc/30/86/52/851308652.db2.gz VFVVZFKOYXAULU-UHFFFAOYSA-N 1 2 375.394 3.634 20 30 GHEDLO CC[C@@H]1C[N@H+](CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CCO1 ZINC000488337100 851404397 /nfs/dbraw/zinc/40/43/97/851404397.db2.gz IXUNVDBOMQPWQQ-LJQANCHMSA-N 1 2 394.475 3.583 20 30 GHEDLO CC[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CCO1 ZINC000488337100 851404405 /nfs/dbraw/zinc/40/44/05/851404405.db2.gz IXUNVDBOMQPWQQ-LJQANCHMSA-N 1 2 394.475 3.583 20 30 GHEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000425562784 851965951 /nfs/dbraw/zinc/96/59/51/851965951.db2.gz HIKRDRWFSBLOCK-WBAXXEDZSA-N 1 2 395.906 3.506 20 30 GHEDLO N#Cc1cccc(COc2cccc(C[NH+]3CCN(CC(F)(F)F)CC3)c2)c1 ZINC000506248768 852467639 /nfs/dbraw/zinc/46/76/39/852467639.db2.gz YHMOCTULEASTSU-UHFFFAOYSA-N 1 2 389.421 3.817 20 30 GHEDLO CCOc1cccc(C[NH+]2CCN(c3ccccc3C#N)CC2)c1OC(F)F ZINC000506355312 852839663 /nfs/dbraw/zinc/83/96/63/852839663.db2.gz HVOKNXAVJQXSIB-UHFFFAOYSA-N 1 2 387.430 3.881 20 30 GHEDLO C[C@H](NC(=O)C1CCCCC1)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000329890634 862400115 /nfs/dbraw/zinc/40/01/15/862400115.db2.gz GOHMVFRDEOFMKG-INIZCTEOSA-N 1 2 386.540 3.851 20 30 GHEDLO CC(=O)Nc1ccccc1CC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000329898362 862406615 /nfs/dbraw/zinc/40/66/15/862406615.db2.gz MDDGZEXBFXIYDT-UHFFFAOYSA-N 1 2 380.492 3.776 20 30 GHEDLO C=CCOc1ccccc1C[NH+]1CCN(CC(=O)Nc2ccccc2CC)CC1 ZINC000506011927 852945708 /nfs/dbraw/zinc/94/57/08/852945708.db2.gz HZYLTSGPPDYDGO-UHFFFAOYSA-N 1 2 393.531 3.570 20 30 GHEDLO C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000180931844 862412969 /nfs/dbraw/zinc/41/29/69/862412969.db2.gz KODVDCMUCRSSRW-MRXNPFEDSA-N 1 2 380.492 3.686 20 30 GHEDLO N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc2)ccn1 ZINC000516897213 853139806 /nfs/dbraw/zinc/13/98/06/853139806.db2.gz HMYDDNMRILOXGO-OAHLLOKOSA-N 1 2 388.431 3.880 20 30 GHEDLO N#Cc1cccc(OCCCCC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000518375984 853273360 /nfs/dbraw/zinc/27/33/60/853273360.db2.gz NORZJPIAJSLFPE-UHFFFAOYSA-N 1 2 392.434 3.749 20 30 GHEDLO CCCOc1cc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)ccc1OC ZINC000506099162 853410671 /nfs/dbraw/zinc/41/06/71/853410671.db2.gz NFCBIQUNLDTLMB-UHFFFAOYSA-N 1 2 379.504 3.673 20 30 GHEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000440628279 853448229 /nfs/dbraw/zinc/44/82/29/853448229.db2.gz VKIYEFBALDPZLG-QFIPXVFZSA-N 1 2 376.435 3.863 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3C[C@H]3c3cccc(Cl)c3)CC2)cc1 ZINC000437886770 853624246 /nfs/dbraw/zinc/62/42/46/853624246.db2.gz CMKTYOAOXNXKAO-LEWJYISDSA-N 1 2 394.906 3.595 20 30 GHEDLO CC(C)[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1cc(Br)ccc1F ZINC000520174245 853932458 /nfs/dbraw/zinc/93/24/58/853932458.db2.gz ZZMYNHVZWLQRMR-GOSISDBHSA-N 1 2 396.304 3.607 20 30 GHEDLO CC(C)[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1cc(Br)ccc1F ZINC000520174245 853932462 /nfs/dbraw/zinc/93/24/62/853932462.db2.gz ZZMYNHVZWLQRMR-GOSISDBHSA-N 1 2 396.304 3.607 20 30 GHEDLO CC(C)[C@H](NC(=O)C[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1)c1ccc(F)cc1 ZINC000330098903 862573539 /nfs/dbraw/zinc/57/35/39/862573539.db2.gz CJVLSGNXGLQSQQ-TYCQWZJGSA-N 1 2 378.488 3.749 20 30 GHEDLO CC(C)[C@H](NC(=O)C[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1)c1ccc(F)cc1 ZINC000330098903 862573548 /nfs/dbraw/zinc/57/35/48/862573548.db2.gz CJVLSGNXGLQSQQ-TYCQWZJGSA-N 1 2 378.488 3.749 20 30 GHEDLO C#Cc1cccc(NC(=O)C[NH2+][C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)c1 ZINC000056202245 854550680 /nfs/dbraw/zinc/55/06/80/854550680.db2.gz PIEBNERJPUGJLS-XMMPIXPASA-N 1 2 397.478 3.884 20 30 GHEDLO C[C@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)C(=O)N1CCCC[C@@H]1C ZINC000328838755 854570194 /nfs/dbraw/zinc/57/01/94/854570194.db2.gz NYQGFUSFBXCUDR-LNLFQRSKSA-N 1 2 389.565 3.523 20 30 GHEDLO Cc1cc([C@@H]2CCCN2C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)on1 ZINC000328920772 854621960 /nfs/dbraw/zinc/62/19/60/854621960.db2.gz LZWDMOTZSUYUHZ-ZIFCJYIRSA-N 1 2 390.434 3.758 20 30 GHEDLO Cc1cc([C@@H]2CCCN2C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)on1 ZINC000328920772 854621970 /nfs/dbraw/zinc/62/19/70/854621970.db2.gz LZWDMOTZSUYUHZ-ZIFCJYIRSA-N 1 2 390.434 3.758 20 30 GHEDLO Cc1c2ccccc2oc1[C@H](C)NC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000330118167 862588247 /nfs/dbraw/zinc/58/82/47/862588247.db2.gz YCPIXWRPGVPMGO-KHYOSLBOSA-N 1 2 382.464 3.960 20 30 GHEDLO Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000536303819 854682177 /nfs/dbraw/zinc/68/21/77/854682177.db2.gz HBIBKVALVLJWTC-UHFFFAOYSA-N 1 2 382.489 3.852 20 30 GHEDLO Cn1c2ccc(NS(=O)(=O)c3cccc(CC#N)c3)cc2[nH+]c1C(C)(C)C ZINC000589587161 855022792 /nfs/dbraw/zinc/02/27/92/855022792.db2.gz APSKLXIEUYMXCQ-UHFFFAOYSA-N 1 2 382.489 3.738 20 30 GHEDLO N#Cc1cccc(OC2CC[NH+](Cc3nnc(-c4cccc(C#N)c4)o3)CC2)c1 ZINC000441471051 855122767 /nfs/dbraw/zinc/12/27/67/855122767.db2.gz HZOAQPSPSVLIMF-UHFFFAOYSA-N 1 2 385.427 3.523 20 30 GHEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000054537294 855165679 /nfs/dbraw/zinc/16/56/79/855165679.db2.gz KZDGKPHHMJQZEX-UHFFFAOYSA-N 1 2 389.459 3.912 20 30 GHEDLO N#Cc1cc(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)ccc1F ZINC000473992794 855556734 /nfs/dbraw/zinc/55/67/34/855556734.db2.gz FGBOUWRNEASCRA-WOJBJXKFSA-N 1 2 375.407 3.944 20 30 GHEDLO N#Cc1cc(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)ccc1F ZINC000473992785 855557102 /nfs/dbraw/zinc/55/71/02/855557102.db2.gz FGBOUWRNEASCRA-PMACEKPBSA-N 1 2 375.407 3.944 20 30 GHEDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000330264554 862705537 /nfs/dbraw/zinc/70/55/37/862705537.db2.gz YBUXYUQAWZTLRV-ZCNNSNEGSA-N 1 2 392.503 3.979 20 30 GHEDLO Cc1c[nH+]c(N(C)Cc2ccc(C#N)cc2)nc1N(C)Cc1ccc(C#N)cc1 ZINC000301488602 855702296 /nfs/dbraw/zinc/70/22/96/855702296.db2.gz JQLAXYATBREXSH-UHFFFAOYSA-N 1 2 382.471 3.801 20 30 GHEDLO C[C@@H]1CN(Cc2ccc(F)c(C#N)c2)[C@@H](C)C[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000441633407 855815903 /nfs/dbraw/zinc/81/59/03/855815903.db2.gz HUAVVIQWMMKYHV-IYBDPMFKSA-N 1 2 380.442 3.803 20 30 GHEDLO C[C@@H]1CN(Cc2ccc(F)c(C#N)c2)[C@@H](C)C[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000441633407 855815909 /nfs/dbraw/zinc/81/59/09/855815909.db2.gz HUAVVIQWMMKYHV-IYBDPMFKSA-N 1 2 380.442 3.803 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)[C@@H](C)CN1Cc1ccc(F)c(C#N)c1 ZINC000441633407 855815919 /nfs/dbraw/zinc/81/59/19/855815919.db2.gz HUAVVIQWMMKYHV-IYBDPMFKSA-N 1 2 380.442 3.803 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)[C@@H](C)CN1Cc1ccc(F)c(C#N)c1 ZINC000441633407 855815926 /nfs/dbraw/zinc/81/59/26/855815926.db2.gz HUAVVIQWMMKYHV-IYBDPMFKSA-N 1 2 380.442 3.803 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC([C@@H](O)c3ccc(F)cc3)CC2)c(C#N)c1C ZINC000108386580 855856610 /nfs/dbraw/zinc/85/66/10/855856610.db2.gz PXZYBZIENLVGPO-VLIAUNLRSA-N 1 2 399.466 3.680 20 30 GHEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000591869370 856393976 /nfs/dbraw/zinc/39/39/76/856393976.db2.gz GFQIIEAOYCFEJG-UWJYYQICSA-N 1 2 387.487 3.978 20 30 GHEDLO CC(C)(C)OC(=O)N1CCN(c2ccc(N[C@H]3CCC[C@@H](C#N)C3)[nH+]c2)CC1 ZINC000765938271 856568322 /nfs/dbraw/zinc/56/83/22/856568322.db2.gz ZMEXVTRPNLVMEY-SJORKVTESA-N 1 2 385.512 3.633 20 30 GHEDLO N#Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)cc1F ZINC000427778399 856728331 /nfs/dbraw/zinc/72/83/31/856728331.db2.gz LZSZUZPAFKZLEJ-UHFFFAOYSA-N 1 2 384.436 3.574 20 30 GHEDLO Cc1c2cc(C#N)ccc2sc1C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000428110806 857125479 /nfs/dbraw/zinc/12/54/79/857125479.db2.gz IREUCNKLMBFASA-ZIAGYGMSSA-N 1 2 385.533 3.699 20 30 GHEDLO C[C@@H](c1nc(-c2cccs2)no1)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000112701378 857188823 /nfs/dbraw/zinc/18/88/23/857188823.db2.gz OXIWVDZGOPKFDW-HNNXBMFYSA-N 1 2 379.489 3.549 20 30 GHEDLO CC(C)O[C@H]1CCC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000593055234 857204440 /nfs/dbraw/zinc/20/44/40/857204440.db2.gz ITYMBGRRRNCGEY-HNNXBMFYSA-N 1 2 375.538 3.717 20 30 GHEDLO CC(C)O[C@H]1CCC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000593055234 857204447 /nfs/dbraw/zinc/20/44/47/857204447.db2.gz ITYMBGRRRNCGEY-HNNXBMFYSA-N 1 2 375.538 3.717 20 30 GHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 ZINC000766142071 857429457 /nfs/dbraw/zinc/42/94/57/857429457.db2.gz VPJNOVVTXVZMEV-IBGZPJMESA-N 1 2 399.853 3.768 20 30 GHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 ZINC000766142071 857429462 /nfs/dbraw/zinc/42/94/62/857429462.db2.gz VPJNOVVTXVZMEV-IBGZPJMESA-N 1 2 399.853 3.768 20 30 GHEDLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1F ZINC000027212719 857649941 /nfs/dbraw/zinc/64/99/41/857649941.db2.gz VMJGJBUEPOWACO-LBPRGKRZSA-N 1 2 387.480 3.715 20 30 GHEDLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1F ZINC000027212719 857649945 /nfs/dbraw/zinc/64/99/45/857649945.db2.gz VMJGJBUEPOWACO-LBPRGKRZSA-N 1 2 387.480 3.715 20 30 GHEDLO Cc1cc(C#N)cc(C)c1CC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000907836577 857803378 /nfs/dbraw/zinc/80/33/78/857803378.db2.gz MDVRZQHWZGTYBX-UHFFFAOYSA-N 1 2 376.504 3.657 20 30 GHEDLO CSCc1cccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000521903997 858415005 /nfs/dbraw/zinc/41/50/05/858415005.db2.gz SUTARQBZRVSPDM-UHFFFAOYSA-N 1 2 380.517 3.771 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCc3ccc(CC#N)cc3)n2)C1 ZINC000521999490 858522830 /nfs/dbraw/zinc/52/28/30/858522830.db2.gz WLHQRJDWLHAGNR-OAHLLOKOSA-N 1 2 383.521 3.763 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCc3ccc(CC#N)cc3)n2)C1 ZINC000521999490 858522835 /nfs/dbraw/zinc/52/28/35/858522835.db2.gz WLHQRJDWLHAGNR-OAHLLOKOSA-N 1 2 383.521 3.763 20 30 GHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC3(CCCC3)OC(C)(C)C2)c1C ZINC000443313895 858556544 /nfs/dbraw/zinc/55/65/44/858556544.db2.gz BJMZMFQYDVSXQI-UHFFFAOYSA-N 1 2 383.536 3.974 20 30 GHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC3(CCCC3)OC(C)(C)C2)c1C ZINC000443313895 858556547 /nfs/dbraw/zinc/55/65/47/858556547.db2.gz BJMZMFQYDVSXQI-UHFFFAOYSA-N 1 2 383.536 3.974 20 30 GHEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2ccc(C(F)(F)F)c(C#N)n2)cc1 ZINC000443432628 858672434 /nfs/dbraw/zinc/67/24/34/858672434.db2.gz ADPQJQNAUBCHDT-SFHVURJKSA-N 1 2 390.409 3.766 20 30 GHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1 ZINC000595844479 858692228 /nfs/dbraw/zinc/69/22/28/858692228.db2.gz FTFFOLUCIRKRMX-MELADBBJSA-N 1 2 387.505 3.714 20 30 GHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1 ZINC000595844479 858692234 /nfs/dbraw/zinc/69/22/34/858692234.db2.gz FTFFOLUCIRKRMX-MELADBBJSA-N 1 2 387.505 3.714 20 30 GHEDLO COC(=O)c1cnc([C@H]2CCC[N@H+](Cc3ccc(Cl)cc3C#N)C2)s1 ZINC000595918585 858732798 /nfs/dbraw/zinc/73/27/98/858732798.db2.gz IZUOHTFLNZWTAK-ZDUSSCGKSA-N 1 2 375.881 3.834 20 30 GHEDLO COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3C#N)C2)s1 ZINC000595918585 858732805 /nfs/dbraw/zinc/73/28/05/858732805.db2.gz IZUOHTFLNZWTAK-ZDUSSCGKSA-N 1 2 375.881 3.834 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)NC(C)(C)c2cccc(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000596536390 858946566 /nfs/dbraw/zinc/94/65/66/858946566.db2.gz WWFGTGLJTIRSMS-WOJBJXKFSA-N 1 2 398.457 3.816 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)NC(C)(C)c2cccc(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000596536390 858946578 /nfs/dbraw/zinc/94/65/78/858946578.db2.gz WWFGTGLJTIRSMS-WOJBJXKFSA-N 1 2 398.457 3.816 20 30 GHEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCC2(C#N)CCCCC2)C[C@H](C)O1 ZINC000596696713 859012549 /nfs/dbraw/zinc/01/25/49/859012549.db2.gz GRWHUJIJOJJQAV-ROUUACIJSA-N 1 2 384.524 3.891 20 30 GHEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1C(C)C ZINC000483095937 859133384 /nfs/dbraw/zinc/13/33/84/859133384.db2.gz ICQIWMUOUIBKIR-FXAWDEMLSA-N 1 2 381.524 3.762 20 30 GHEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2n1C(C)C ZINC000483095937 859133390 /nfs/dbraw/zinc/13/33/90/859133390.db2.gz ICQIWMUOUIBKIR-FXAWDEMLSA-N 1 2 381.524 3.762 20 30 GHEDLO CCOc1ccccc1C(=O)N1CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596979053 859208805 /nfs/dbraw/zinc/20/88/05/859208805.db2.gz GRSOHCBKJPRAGK-UHFFFAOYSA-N 1 2 389.499 3.598 20 30 GHEDLO CC(C)[C@H]1C[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)CCCO1 ZINC000550559269 859209085 /nfs/dbraw/zinc/20/90/85/859209085.db2.gz FAAGMKYZZPXHJH-SJLPKXTDSA-N 1 2 375.538 3.624 20 30 GHEDLO CC(C)[C@H]1C[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)CCCO1 ZINC000550559269 859209095 /nfs/dbraw/zinc/20/90/95/859209095.db2.gz FAAGMKYZZPXHJH-SJLPKXTDSA-N 1 2 375.538 3.624 20 30 GHEDLO COCC[N@H+](CC(=O)N[C@@H](c1ccccc1)C(C)C)Cc1ccc(C#N)cc1 ZINC000069072094 859329242 /nfs/dbraw/zinc/32/92/42/859329242.db2.gz QGZPEPPRZIRBKA-HSZRJFAPSA-N 1 2 379.504 3.520 20 30 GHEDLO COCC[N@@H+](CC(=O)N[C@@H](c1ccccc1)C(C)C)Cc1ccc(C#N)cc1 ZINC000069072094 859329248 /nfs/dbraw/zinc/32/92/48/859329248.db2.gz QGZPEPPRZIRBKA-HSZRJFAPSA-N 1 2 379.504 3.520 20 30 GHEDLO CC(C)(C)OC(=O)[C@@H]1C[N@H+](Cc2cnc3ccc(C#N)cn23)Cc2ccccc21 ZINC000597174625 859336733 /nfs/dbraw/zinc/33/67/33/859336733.db2.gz SGLMSWLULSBTMY-HXUWFJFHSA-N 1 2 388.471 3.647 20 30 GHEDLO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)Cc2ccccc21 ZINC000597174625 859336745 /nfs/dbraw/zinc/33/67/45/859336745.db2.gz SGLMSWLULSBTMY-HXUWFJFHSA-N 1 2 388.471 3.647 20 30 GHEDLO CCCCCn1nc(C)cc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000483487780 859394514 /nfs/dbraw/zinc/39/45/14/859394514.db2.gz HXVJFCDMRHJGCR-UHFFFAOYSA-N 1 2 394.523 3.603 20 30 GHEDLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)CC2(C#N)CCCCC2)c2ccc(Cl)cc2)C1 ZINC000597456822 859547001 /nfs/dbraw/zinc/54/70/01/859547001.db2.gz IKZVAKSCKQITNL-QUCCMNQESA-N 1 2 389.927 3.692 20 30 GHEDLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)CC2(C#N)CCCCC2)c2ccc(Cl)cc2)C1 ZINC000597456822 859547009 /nfs/dbraw/zinc/54/70/09/859547009.db2.gz IKZVAKSCKQITNL-QUCCMNQESA-N 1 2 389.927 3.692 20 30 GHEDLO N#Cc1c2c(n(-c3ccccc3)c1NC(=O)C[N@H+]1CC[C@@H](C(F)F)C1)CCCC2 ZINC000611179359 859634296 /nfs/dbraw/zinc/63/42/96/859634296.db2.gz BNSINGYJQVVIGV-OAHLLOKOSA-N 1 2 398.457 3.753 20 30 GHEDLO N#Cc1c2c(n(-c3ccccc3)c1NC(=O)C[N@@H+]1CC[C@@H](C(F)F)C1)CCCC2 ZINC000611179359 859634298 /nfs/dbraw/zinc/63/42/98/859634298.db2.gz BNSINGYJQVVIGV-OAHLLOKOSA-N 1 2 398.457 3.753 20 30 GHEDLO C=CCN(CC1CCCCC1)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000483854317 859669914 /nfs/dbraw/zinc/66/99/14/859669914.db2.gz JKYOTDOOMCHLRQ-UHFFFAOYSA-N 1 2 385.552 3.797 20 30 GHEDLO CC(C)COc1ccc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 ZINC000611260149 859670186 /nfs/dbraw/zinc/67/01/86/859670186.db2.gz KIAAFALPEDLAJT-UHFFFAOYSA-N 1 2 380.492 3.781 20 30 GHEDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C2 ZINC000611270762 859674695 /nfs/dbraw/zinc/67/46/95/859674695.db2.gz NOFUXQJFGXGBDS-UHFFFAOYSA-N 1 2 386.455 3.766 20 30 GHEDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C2 ZINC000611270762 859674697 /nfs/dbraw/zinc/67/46/97/859674697.db2.gz NOFUXQJFGXGBDS-UHFFFAOYSA-N 1 2 386.455 3.766 20 30 GHEDLO CC(C)C[C@H](C(=O)N[C@@H](C#N)c1ccc(Br)cc1)n1cc[nH+]c1 ZINC000602051819 859728509 /nfs/dbraw/zinc/72/85/09/859728509.db2.gz FQSOETGCVMCUGU-JKSUJKDBSA-N 1 2 375.270 3.614 20 30 GHEDLO CC(C)C[C@H](C(=O)N[C@H](C#N)c1cccc(Br)c1)n1cc[nH+]c1 ZINC000602088293 859763853 /nfs/dbraw/zinc/76/38/53/859763853.db2.gz KPQFVKOBWNAYHV-HZPDHXFCSA-N 1 2 375.270 3.614 20 30 GHEDLO CCn1c(Br)c(Br)nc1C[NH2+]Cc1cccc(C#N)c1 ZINC000921522638 860013998 /nfs/dbraw/zinc/01/39/98/860013998.db2.gz RXGBTIZPVWNIAX-UHFFFAOYSA-N 1 2 398.102 3.589 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)cc1C ZINC000727437310 860077711 /nfs/dbraw/zinc/07/77/11/860077711.db2.gz IQLRUKKRKKNTKC-UHFFFAOYSA-N 1 2 399.535 3.604 20 30 GHEDLO N#Cc1ccc(C2CC[NH+](Cc3nc4ccc(Cl)cc4c(=O)[nH]3)CC2)nc1 ZINC000602909743 860342695 /nfs/dbraw/zinc/34/26/95/860342695.db2.gz NFDREMMXTYNFBU-UHFFFAOYSA-N 1 2 379.851 3.635 20 30 GHEDLO N#Cc1ccc(CSCC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000329905062 860453653 /nfs/dbraw/zinc/45/36/53/860453653.db2.gz RGUQFZJYIKIZPV-UHFFFAOYSA-N 1 2 394.544 3.730 20 30 GHEDLO N#Cc1ccc(Br)c(CNc2ccc([NH+]3CCC(O)CC3)cc2)c1 ZINC000921568204 860513107 /nfs/dbraw/zinc/51/31/07/860513107.db2.gz QGGWMIQZBUPFIH-UHFFFAOYSA-N 1 2 386.293 3.894 20 30 GHEDLO COC(=O)[C@H](Cc1ccc(Cl)cn1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170377022 881552256 /nfs/dbraw/zinc/55/22/56/881552256.db2.gz UFOZMKYORJJLKA-JGBTYHIZSA-N 1 2 397.906 3.813 20 30 GHEDLO Cc1noc([C@H]2CC[N@H+](CC(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)C2)n1 ZINC000329021229 860952251 /nfs/dbraw/zinc/95/22/51/860952251.db2.gz HXLBBKCNXFCQEF-HNNXBMFYSA-N 1 2 398.463 3.887 20 30 GHEDLO Cc1noc([C@H]2CC[N@@H+](CC(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)C2)n1 ZINC000329021229 860952260 /nfs/dbraw/zinc/95/22/60/860952260.db2.gz HXLBBKCNXFCQEF-HNNXBMFYSA-N 1 2 398.463 3.887 20 30 GHEDLO CC(C)Oc1cc(F)ccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000494368948 881602458 /nfs/dbraw/zinc/60/24/58/881602458.db2.gz PVXSTUXXGLKRKG-UHFFFAOYSA-N 1 2 396.466 3.834 20 30 GHEDLO N#Cc1cccc(OC2CC[NH+](Cc3ccn(-c4cccc(F)c4)n3)CC2)c1 ZINC000609195511 881627049 /nfs/dbraw/zinc/62/70/49/881627049.db2.gz JIIHNTGGMQXCDK-UHFFFAOYSA-N 1 2 376.435 3.926 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)c1 ZINC000054245014 863316374 /nfs/dbraw/zinc/31/63/74/863316374.db2.gz NURHPYIMJWGXHK-UHFFFAOYSA-N 1 2 397.478 3.991 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)c1 ZINC000054245014 863316379 /nfs/dbraw/zinc/31/63/79/863316379.db2.gz NURHPYIMJWGXHK-UHFFFAOYSA-N 1 2 397.478 3.991 20 30 GHEDLO C#CCOc1ccccc1C[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000734159075 864037435 /nfs/dbraw/zinc/03/74/35/864037435.db2.gz GCVJCCKWLVNQKT-UHFFFAOYSA-N 1 2 378.453 3.841 20 30 GHEDLO C=CCn1c(COc2ccccc2F)nn(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1=S ZINC000172944463 864161314 /nfs/dbraw/zinc/16/13/14/864161314.db2.gz ZRFAQDGALQBARY-GASCZTMLSA-N 1 2 388.512 3.863 20 30 GHEDLO C=CCn1c(COc2ccccc2F)nn(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1=S ZINC000172944463 864161322 /nfs/dbraw/zinc/16/13/22/864161322.db2.gz ZRFAQDGALQBARY-GASCZTMLSA-N 1 2 388.512 3.863 20 30 GHEDLO C=CCOc1ccc(C[NH2+][C@H]2CS(=O)(=O)Cc3ccccc32)cc1Cl ZINC000621735230 864389866 /nfs/dbraw/zinc/38/98/66/864389866.db2.gz DPUACTQAVQLWMF-SFHVURJKSA-N 1 2 377.893 3.664 20 30 GHEDLO C=CC1CC[NH+](Cn2nc(Cc3ccc(OC)c(OC)c3)oc2=S)CC1 ZINC000735298757 864715223 /nfs/dbraw/zinc/71/52/23/864715223.db2.gz RWBBFKCMJSZQKG-UHFFFAOYSA-N 1 2 375.494 3.669 20 30 GHEDLO C=CCC1(NC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)CCOCC1 ZINC000665626245 865032341 /nfs/dbraw/zinc/03/23/41/865032341.db2.gz UABNCAZRLNXZPX-ROUUACIJSA-N 1 2 387.524 3.543 20 30 GHEDLO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)c1nccs1 ZINC000185100479 865228199 /nfs/dbraw/zinc/22/81/99/865228199.db2.gz CUWURKZOLHQIQA-KRWDZBQOSA-N 1 2 397.504 3.754 20 30 GHEDLO CC(C)(C)OC(=O)NC(C)(C)c1cc(C=NNc2cc[nH+]c3ccccc23)on1 ZINC000792999161 881867800 /nfs/dbraw/zinc/86/78/00/881867800.db2.gz LIAJRKJVUZYOLC-UHFFFAOYSA-N 1 2 395.463 3.851 20 30 GHEDLO C=CCOc1ccccc1C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000174194637 865520534 /nfs/dbraw/zinc/52/05/34/865520534.db2.gz YQKUHNJPQDGIOQ-UHFFFAOYSA-N 1 2 379.504 3.716 20 30 GHEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000155312268 865651016 /nfs/dbraw/zinc/65/10/16/865651016.db2.gz OGDFRSVJKNWUIC-CQSZACIVSA-N 1 2 386.546 3.773 20 30 GHEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000155312268 865651019 /nfs/dbraw/zinc/65/10/19/865651019.db2.gz OGDFRSVJKNWUIC-CQSZACIVSA-N 1 2 386.546 3.773 20 30 GHEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@H](C)Cc3ccc(C#N)cc3)CC2)c1 ZINC000594281027 865683656 /nfs/dbraw/zinc/68/36/56/865683656.db2.gz AQOXVLHHGUSTBF-MOPGFXCFSA-N 1 2 391.515 3.651 20 30 GHEDLO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000555243571 865777303 /nfs/dbraw/zinc/77/73/03/865777303.db2.gz YXBPOPPHUBMXPY-UHFFFAOYSA-N 1 2 396.926 3.825 20 30 GHEDLO Cc1sc(NC(=O)C[N@@H+]2CCCN(c3ccccc3C#N)CC2)c(C)c1C ZINC000173524228 866151818 /nfs/dbraw/zinc/15/18/18/866151818.db2.gz ZZLNTJCGZLFNAK-UHFFFAOYSA-N 1 2 382.533 3.696 20 30 GHEDLO Cc1sc(NC(=O)C[N@H+]2CCCN(c3ccccc3C#N)CC2)c(C)c1C ZINC000173524228 866151827 /nfs/dbraw/zinc/15/18/27/866151827.db2.gz ZZLNTJCGZLFNAK-UHFFFAOYSA-N 1 2 382.533 3.696 20 30 GHEDLO C=CCCOCC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000620184693 866479162 /nfs/dbraw/zinc/47/91/62/866479162.db2.gz SPHSPFIVBXCPNV-UHFFFAOYSA-N 1 2 388.508 3.791 20 30 GHEDLO N#CCCN(C(=O)C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)c1ccccc1 ZINC000020954458 866481991 /nfs/dbraw/zinc/48/19/91/866481991.db2.gz FEMMPVULLCNUOC-IBGZPJMESA-N 1 2 383.517 3.676 20 30 GHEDLO N#CCCN(C(=O)C[N@H+](Cc1cccs1)C[C@@H]1CCCO1)c1ccccc1 ZINC000020954458 866481997 /nfs/dbraw/zinc/48/19/97/866481997.db2.gz FEMMPVULLCNUOC-IBGZPJMESA-N 1 2 383.517 3.676 20 30 GHEDLO CCc1ccc(C[NH+]2CCN(C(=O)CSCc3ccc(C#N)cc3)CC2)s1 ZINC000609995206 866553309 /nfs/dbraw/zinc/55/33/09/866553309.db2.gz MUWZHZUUHWGPDZ-UHFFFAOYSA-N 1 2 399.585 3.760 20 30 GHEDLO C=C(C)[C@H](CC(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1)OCC ZINC000535154957 868286974 /nfs/dbraw/zinc/28/69/74/868286974.db2.gz ZLNKGGTZUKNXIC-IBGZPJMESA-N 1 2 381.480 3.633 20 30 GHEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cc(Br)ccc3F)C2)nc1 ZINC000428785789 869157804 /nfs/dbraw/zinc/15/78/04/869157804.db2.gz VOAOOCJGFPNPDD-OAHLLOKOSA-N 1 2 376.229 3.508 20 30 GHEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cc(Br)ccc3F)C2)nc1 ZINC000428785789 869157808 /nfs/dbraw/zinc/15/78/08/869157808.db2.gz VOAOOCJGFPNPDD-OAHLLOKOSA-N 1 2 376.229 3.508 20 30 GHEDLO CC[N@H+](C)[C@@H](C(=O)O[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1ccccc1 ZINC000745099625 869288227 /nfs/dbraw/zinc/28/82/27/869288227.db2.gz YIKSYYDEBGTZNB-MCGOBGFWSA-N 1 2 399.535 3.542 20 30 GHEDLO CC[N@@H+](C)[C@@H](C(=O)O[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1ccccc1 ZINC000745099625 869288236 /nfs/dbraw/zinc/28/82/36/869288236.db2.gz YIKSYYDEBGTZNB-MCGOBGFWSA-N 1 2 399.535 3.542 20 30 GHEDLO CC[N@H+](C)[C@H](C(=O)OCc1c(C#N)c(C)nn1-c1ccccc1)c1ccccc1 ZINC000745102606 869292977 /nfs/dbraw/zinc/29/29/77/869292977.db2.gz XJLUMZSLWSVIGV-QFIPXVFZSA-N 1 2 388.471 3.789 20 30 GHEDLO CC[N@@H+](C)[C@H](C(=O)OCc1c(C#N)c(C)nn1-c1ccccc1)c1ccccc1 ZINC000745102606 869292986 /nfs/dbraw/zinc/29/29/86/869292986.db2.gz XJLUMZSLWSVIGV-QFIPXVFZSA-N 1 2 388.471 3.789 20 30 GHEDLO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cn1nnn(Cc2cccs2)c1=S ZINC000746056328 869986856 /nfs/dbraw/zinc/98/68/56/869986856.db2.gz ZWLXVXOKTHMZPV-UHFFFAOYSA-N 1 2 398.561 3.906 20 30 GHEDLO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cn1nnn(Cc2cccs2)c1=S ZINC000746056328 869986868 /nfs/dbraw/zinc/98/68/68/869986868.db2.gz ZWLXVXOKTHMZPV-UHFFFAOYSA-N 1 2 398.561 3.906 20 30 GHEDLO CC(C)N(C(=O)CO[NH+]=C(N)c1ccc(OCc2ccccc2)cc1)C(C)C ZINC000920767639 882369154 /nfs/dbraw/zinc/36/91/54/882369154.db2.gz FWUWLBBTBLTWLW-UHFFFAOYSA-N 1 2 383.492 3.548 20 30 GHEDLO COc1cc(C#N)ccc1C(=O)NC[C@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001192272454 870256033 /nfs/dbraw/zinc/25/60/33/870256033.db2.gz AJYYOVNXPSSIFM-QGZVFWFLSA-N 1 2 392.286 3.906 20 30 GHEDLO C=C(C)[C@@H]([NH2+]CC(=O)c1[nH]c(C)c(C(=O)OC)c1C)c1ccc(F)c(F)c1 ZINC001193575183 871169189 /nfs/dbraw/zinc/16/91/89/871169189.db2.gz LVGJQKCMFMRRID-GOSISDBHSA-N 1 2 376.403 3.786 20 30 GHEDLO C[C@H]([C@H](C)[N@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1)S(C)(=O)=O ZINC000191494104 882490041 /nfs/dbraw/zinc/49/00/41/882490041.db2.gz MJRWUGCEVCROHR-RBUKOAKNSA-N 1 2 384.545 3.640 20 30 GHEDLO C[C@H]([C@H](C)[N@@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1)S(C)(=O)=O ZINC000191494104 882490047 /nfs/dbraw/zinc/49/00/47/882490047.db2.gz MJRWUGCEVCROHR-RBUKOAKNSA-N 1 2 384.545 3.640 20 30 GHEDLO C[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1c(F)cccc1Cl ZINC000181750700 871443940 /nfs/dbraw/zinc/44/39/40/871443940.db2.gz ZPENYUKTFRPFKC-CYBMUJFWSA-N 1 2 397.841 3.826 20 30 GHEDLO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000775615578 871986196 /nfs/dbraw/zinc/98/61/96/871986196.db2.gz PIIVHJMCPHFSPE-VQIMIIECSA-N 1 2 387.524 3.602 20 30 GHEDLO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000775615578 871986207 /nfs/dbraw/zinc/98/62/07/871986207.db2.gz PIIVHJMCPHFSPE-VQIMIIECSA-N 1 2 387.524 3.602 20 30 GHEDLO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3cc(Cl)cc(F)c3O)CC2)c1 ZINC000775668778 872593373 /nfs/dbraw/zinc/59/33/73/872593373.db2.gz LHLVTOGMEOXGPD-UHFFFAOYSA-N 1 2 387.842 3.907 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000552403317 872621213 /nfs/dbraw/zinc/62/12/13/872621213.db2.gz CHYIJJFXBRITJF-WOJBJXKFSA-N 1 2 399.416 3.569 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000552403317 872621221 /nfs/dbraw/zinc/62/12/21/872621221.db2.gz CHYIJJFXBRITJF-WOJBJXKFSA-N 1 2 399.416 3.569 20 30 GHEDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000619424715 872638254 /nfs/dbraw/zinc/63/82/54/872638254.db2.gz CITCXGLMKHMNBL-OAQYLSRUSA-N 1 2 391.515 3.735 20 30 GHEDLO N#Cc1cccc(OCc2ccoc2C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000102243193 872832790 /nfs/dbraw/zinc/83/27/90/872832790.db2.gz PBNJZKJVPAFNLM-UHFFFAOYSA-N 1 2 398.422 3.846 20 30 GHEDLO Cc1ccc2nc(NC(=O)C[NH+]3CCC(c4ccc(C#N)cn4)CC3)sc2c1 ZINC001196420326 873104364 /nfs/dbraw/zinc/10/43/64/873104364.db2.gz RZBKHTRVVRLTGA-UHFFFAOYSA-N 1 2 391.500 3.690 20 30 GHEDLO C=CCC1(c2nc([C@H]3C[N@H+](Cc4ccccc4C)CCO3)no2)CCOCC1 ZINC000867179406 873157931 /nfs/dbraw/zinc/15/79/31/873157931.db2.gz ALRMZBVMGIHYHJ-LJQANCHMSA-N 1 2 383.492 3.576 20 30 GHEDLO C=CCC1(c2nc([C@H]3C[N@@H+](Cc4ccccc4C)CCO3)no2)CCOCC1 ZINC000867179406 873157935 /nfs/dbraw/zinc/15/79/35/873157935.db2.gz ALRMZBVMGIHYHJ-LJQANCHMSA-N 1 2 383.492 3.576 20 30 GHEDLO C#Cc1cccc(NC(=S)N(CC)CC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000743036500 873182628 /nfs/dbraw/zinc/18/26/28/873182628.db2.gz HNLYBWJOZDAJTJ-UHFFFAOYSA-N 1 2 378.545 3.998 20 30 GHEDLO N#Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1C[NH+]1CCCC1 ZINC001196679646 873279994 /nfs/dbraw/zinc/27/99/94/873279994.db2.gz FFVLMAJGMFBLTN-UHFFFAOYSA-N 1 2 375.881 3.608 20 30 GHEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC001197317846 873703993 /nfs/dbraw/zinc/70/39/93/873703993.db2.gz XEAKSDDEORYDRB-JVPBZIDWSA-N 1 2 380.879 3.502 20 30 GHEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC001197317846 873704008 /nfs/dbraw/zinc/70/40/08/873704008.db2.gz XEAKSDDEORYDRB-JVPBZIDWSA-N 1 2 380.879 3.502 20 30 GHEDLO N#C[C@@]1(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)CC12CCCC2 ZINC000448904976 874175740 /nfs/dbraw/zinc/17/57/40/874175740.db2.gz WOJCCRWBPDVMQT-JOCHJYFZSA-N 1 2 388.475 3.736 20 30 GHEDLO CC(C)(C)n1ncc2c1nc(N[NH+]=Cc1ccccc1N1CCCCC1)[nH]c2=O ZINC000769807399 874299295 /nfs/dbraw/zinc/29/92/95/874299295.db2.gz LSPCZMAPMAXWMH-UHFFFAOYSA-N 1 2 393.495 3.723 20 30 GHEDLO CC(C)(C)OC(=O)NCc1ccc(C(N)=[NH+]OCc2ccnc(Cl)c2)cc1 ZINC000769843315 874320419 /nfs/dbraw/zinc/32/04/19/874320419.db2.gz ZMIUNHZVTMWGFY-UHFFFAOYSA-N 1 2 390.871 3.597 20 30 GHEDLO N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc1Cl ZINC001198361998 874373619 /nfs/dbraw/zinc/37/36/19/874373619.db2.gz FUAGIZFQZOUPIB-VQIMIIECSA-N 1 2 391.862 3.938 20 30 GHEDLO Cn1cc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c(-c2ccc(F)cc2)n1 ZINC000449040107 874383866 /nfs/dbraw/zinc/38/38/66/874383866.db2.gz GJAZGQDAZIQEHO-NRFANRHFSA-N 1 2 376.435 3.671 20 30 GHEDLO Cn1cc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c(-c2ccc(F)cc2)n1 ZINC000449040107 874383880 /nfs/dbraw/zinc/38/38/80/874383880.db2.gz GJAZGQDAZIQEHO-NRFANRHFSA-N 1 2 376.435 3.671 20 30 GHEDLO C[NH+](C)Cc1nc(CSCCNc2ccc(CC#N)c([N+](=O)[O-])c2)cs1 ZINC001168108350 874695912 /nfs/dbraw/zinc/69/59/12/874695912.db2.gz JVVGFDRUMJKZOJ-UHFFFAOYSA-N 1 2 391.522 3.524 20 30 GHEDLO Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1cccc2[nH+]ccn21 ZINC000771090292 875034689 /nfs/dbraw/zinc/03/46/89/875034689.db2.gz UPIHSMQDKVDRNQ-UHFFFAOYSA-N 1 2 385.452 3.963 20 30 GHEDLO COCc1ccc(NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1C#N ZINC000529205825 875823920 /nfs/dbraw/zinc/82/39/20/875823920.db2.gz RMMCPASLRJQQHL-UHFFFAOYSA-N 1 2 393.491 3.649 20 30 GHEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000785997241 876398592 /nfs/dbraw/zinc/39/85/92/876398592.db2.gz KGHDVNZSEIYFSO-IBGZPJMESA-N 1 2 377.488 3.596 20 30 GHEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000785997241 876398609 /nfs/dbraw/zinc/39/86/09/876398609.db2.gz KGHDVNZSEIYFSO-IBGZPJMESA-N 1 2 377.488 3.596 20 30 GHEDLO C=CCn1c(Cc2ccccc2)nn(CN2CCC(n3cc[nH+]c3)CC2)c1=S ZINC000152082892 876739878 /nfs/dbraw/zinc/73/98/78/876739878.db2.gz JMPITHZQYJJCKY-UHFFFAOYSA-N 1 2 394.548 3.682 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC=C(c3cccnc3)C2)cc1 ZINC000451026474 877258961 /nfs/dbraw/zinc/25/89/61/877258961.db2.gz SUCFTBRYIXUVEF-UHFFFAOYSA-N 1 2 390.487 3.516 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC=C(c3cccnc3)C2)cc1 ZINC000451026474 877258968 /nfs/dbraw/zinc/25/89/68/877258968.db2.gz SUCFTBRYIXUVEF-UHFFFAOYSA-N 1 2 390.487 3.516 20 30 GHEDLO N#Cc1cccnc1N1CC[NH+](Cc2c(Cl)cccc2N2CCCC2)CC1 ZINC000179640790 877811219 /nfs/dbraw/zinc/81/12/19/877811219.db2.gz KFEPBDNLBHIUNM-UHFFFAOYSA-N 1 2 381.911 3.529 20 30 GHEDLO CCO[C@@H]1CC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1C ZINC000451542109 878110656 /nfs/dbraw/zinc/11/06/56/878110656.db2.gz MZCFJOZTLKZLGA-RHSMWYFYSA-N 1 2 375.538 3.574 20 30 GHEDLO CCO[C@@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1C ZINC000451542109 878110855 /nfs/dbraw/zinc/11/08/55/878110855.db2.gz MZCFJOZTLKZLGA-RHSMWYFYSA-N 1 2 375.538 3.574 20 30 GHEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCOC[C@H]2c2ccc(F)cc2)cc1Cl ZINC000451797958 878514637 /nfs/dbraw/zinc/51/46/37/878514637.db2.gz LAOXGCZMBGHTSP-IBGZPJMESA-N 1 2 387.842 3.753 20 30 GHEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCOC[C@H]2c2ccc(F)cc2)cc1Cl ZINC000451797958 878514655 /nfs/dbraw/zinc/51/46/55/878514655.db2.gz LAOXGCZMBGHTSP-IBGZPJMESA-N 1 2 387.842 3.753 20 30 GHEDLO CC(C)(C)OC(=O)[C@@H]1c2ccccc2CC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000852779738 878593838 /nfs/dbraw/zinc/59/38/38/878593838.db2.gz IFKQWQPYJXQYTB-SFTDATJTSA-N 1 2 378.472 3.533 20 30 GHEDLO CC(C)(C)OC(=O)[C@@H]1c2ccccc2CC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000852779738 878593850 /nfs/dbraw/zinc/59/38/50/878593850.db2.gz IFKQWQPYJXQYTB-SFTDATJTSA-N 1 2 378.472 3.533 20 30 GHEDLO Cc1[nH+]cc(C=NN2C(=S)N=NC2COc2cc(C)ccc2C(C)C)n1C ZINC000853282365 878949219 /nfs/dbraw/zinc/94/92/19/878949219.db2.gz AXPLVJDRIDSIPY-UHFFFAOYSA-N 1 2 384.509 3.502 20 30 GHEDLO Cc1ccnc(C[NH+]2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)c1 ZINC000616769349 879041471 /nfs/dbraw/zinc/04/14/71/879041471.db2.gz FCVFLLSIQYKKIR-IBGZPJMESA-N 1 2 385.309 3.535 20 30 GHEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(OC(F)F)c(Br)c2)n1 ZINC000789761843 879242118 /nfs/dbraw/zinc/24/21/18/879242118.db2.gz LMHLVBQSXBOSHG-UHFFFAOYSA-N 1 2 398.251 3.902 20 30 GHEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(OC(F)F)c(Br)c2)n1 ZINC000789761843 879242139 /nfs/dbraw/zinc/24/21/39/879242139.db2.gz LMHLVBQSXBOSHG-UHFFFAOYSA-N 1 2 398.251 3.902 20 30 GHEDLO CN(C)c1[nH+]ccc2cc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)ccc21 ZINC000452355705 879330571 /nfs/dbraw/zinc/33/05/71/879330571.db2.gz OKFHFUZKQGHYDL-OAQYLSRUSA-N 1 2 382.464 3.501 20 30 GHEDLO C=CC[C@H]1CCCC[C@H]1NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000617038015 879336471 /nfs/dbraw/zinc/33/64/71/879336471.db2.gz UGNMYPBFONOFHX-FXAWDEMLSA-N 1 2 380.492 3.777 20 30 GHEDLO N#Cc1ccc(SCC(=O)N2CC[NH+](Cc3cccs3)CC2)c(Cl)c1 ZINC000531544512 880077504 /nfs/dbraw/zinc/07/75/04/880077504.db2.gz LQIQWCVUFBYHIH-UHFFFAOYSA-N 1 2 391.949 3.710 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(O)c1Br ZINC001275210555 912656192 /nfs/dbraw/zinc/65/61/92/912656192.db2.gz UNGSCFSCSGWENW-LJQANCHMSA-N 1 2 393.325 3.688 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cccc(O)c1Br ZINC001275210555 912656239 /nfs/dbraw/zinc/65/62/39/912656239.db2.gz UNGSCFSCSGWENW-LJQANCHMSA-N 1 2 393.325 3.688 20 30 GHEDLO N#Cc1ccccc1COc1cccc(C[N@H+]2Cc3ccccc3C[C@@H]2C(N)=O)c1 ZINC000119849864 881181127 /nfs/dbraw/zinc/18/11/27/881181127.db2.gz LLNYKXFPSPYWRO-XMMPIXPASA-N 1 2 397.478 3.549 20 30 GHEDLO N#Cc1ccccc1COc1cccc(C[N@@H+]2Cc3ccccc3C[C@@H]2C(N)=O)c1 ZINC000119849864 881181141 /nfs/dbraw/zinc/18/11/41/881181141.db2.gz LLNYKXFPSPYWRO-XMMPIXPASA-N 1 2 397.478 3.549 20 30 GHEDLO COc1cccc([C@H]2CC(=O)N(C[N@H+]3CC=C(c4ccc(C#N)cc4)CC3)C2)c1 ZINC000760537096 883451105 /nfs/dbraw/zinc/45/11/05/883451105.db2.gz IJBFDLXNFBLBRV-QFIPXVFZSA-N 1 2 387.483 3.630 20 30 GHEDLO COc1cccc([C@H]2CC(=O)N(C[N@@H+]3CC=C(c4ccc(C#N)cc4)CC3)C2)c1 ZINC000760537096 883451112 /nfs/dbraw/zinc/45/11/12/883451112.db2.gz IJBFDLXNFBLBRV-QFIPXVFZSA-N 1 2 387.483 3.630 20 30 GHEDLO C[N@H+](Cc1ccc(Cl)c(Cl)c1)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000477102229 883715074 /nfs/dbraw/zinc/71/50/74/883715074.db2.gz SDJKUDOBFRMGSG-KRWDZBQOSA-N 1 2 388.254 3.629 20 30 GHEDLO C[N@@H+](Cc1ccc(Cl)c(Cl)c1)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000477102229 883715078 /nfs/dbraw/zinc/71/50/78/883715078.db2.gz SDJKUDOBFRMGSG-KRWDZBQOSA-N 1 2 388.254 3.629 20 30 GHEDLO Cn1ccc2cc(CNC(=O)[C@@H]3CCCC[N@@H+]3Cc3ccccc3C#N)ccc21 ZINC001183828605 912834394 /nfs/dbraw/zinc/83/43/94/912834394.db2.gz AGVPCDBLZFNORL-QHCPKHFHSA-N 1 2 386.499 3.721 20 30 GHEDLO Cn1ccc2cc(CNC(=O)[C@@H]3CCCC[N@H+]3Cc3ccccc3C#N)ccc21 ZINC001183828605 912834409 /nfs/dbraw/zinc/83/44/09/912834409.db2.gz AGVPCDBLZFNORL-QHCPKHFHSA-N 1 2 386.499 3.721 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@](CF)(C(F)(F)F)C1 ZINC001183828444 912834445 /nfs/dbraw/zinc/83/44/45/912834445.db2.gz HARWTOVZIPSMIY-PKOBYXMFSA-N 1 2 397.416 3.663 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@](CF)(C(F)(F)F)C1 ZINC001183828444 912834463 /nfs/dbraw/zinc/83/44/63/912834463.db2.gz HARWTOVZIPSMIY-PKOBYXMFSA-N 1 2 397.416 3.663 20 30 GHEDLO N#CCCN(C(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccccc1 ZINC000130533092 884748429 /nfs/dbraw/zinc/74/84/29/884748429.db2.gz YWUFAPHASYSFEO-UHFFFAOYSA-N 1 2 378.432 3.506 20 30 GHEDLO N#CCCN(C(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccccc1 ZINC000130533092 884748438 /nfs/dbraw/zinc/74/84/38/884748438.db2.gz YWUFAPHASYSFEO-UHFFFAOYSA-N 1 2 378.432 3.506 20 30 GHEDLO CCCCc1ccc(N2C(=O)C[C@@H]([N@H+](C)Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000914794691 884831532 /nfs/dbraw/zinc/83/15/32/884831532.db2.gz YTXIFRIJQUIEJE-OAQYLSRUSA-N 1 2 375.472 3.665 20 30 GHEDLO CCCCc1ccc(N2C(=O)C[C@@H]([N@@H+](C)Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000914794691 884831545 /nfs/dbraw/zinc/83/15/45/884831545.db2.gz YTXIFRIJQUIEJE-OAQYLSRUSA-N 1 2 375.472 3.665 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)CCc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152401905 885231897 /nfs/dbraw/zinc/23/18/97/885231897.db2.gz BWYLROONVYDVAX-FPOVZHCZSA-N 1 2 385.870 3.845 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)CCc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152401905 885231914 /nfs/dbraw/zinc/23/19/14/885231914.db2.gz BWYLROONVYDVAX-FPOVZHCZSA-N 1 2 385.870 3.845 20 30 GHEDLO C=CC[NH+](CC=C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 ZINC000303592258 885640482 /nfs/dbraw/zinc/64/04/82/885640482.db2.gz HZVUPKYEWCVEHT-UHFFFAOYSA-N 1 2 380.467 3.777 20 30 GHEDLO Cc1nc(Sc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)ccc1C#N ZINC000487903867 885776858 /nfs/dbraw/zinc/77/68/58/885776858.db2.gz CHEUNWGYHRPZMT-UHFFFAOYSA-N 1 2 376.489 3.589 20 30 GHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)c1C#N ZINC000532576581 886160549 /nfs/dbraw/zinc/16/05/49/886160549.db2.gz OZGVJSXTWMHGEJ-IYBDPMFKSA-N 1 2 396.560 3.789 20 30 GHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2C[C@@H](C)S[C@@H](C)C2)c1C#N ZINC000532576581 886160561 /nfs/dbraw/zinc/16/05/61/886160561.db2.gz OZGVJSXTWMHGEJ-IYBDPMFKSA-N 1 2 396.560 3.789 20 30 GHEDLO Cc1cc(C(N)=[NH+]OCC(=O)N[C@@H](c2cccs2)C(C)(C)C)ccc1F ZINC000762708860 886746146 /nfs/dbraw/zinc/74/61/46/886746146.db2.gz HAENFEMKEPXNSJ-KRWDZBQOSA-N 1 2 377.485 3.736 20 30 GHEDLO CC(=[NH+]Nc1nc2ccccc2[nH]c1=S)c1ccc(N2CCOCC2)cc1 ZINC000863129042 886883069 /nfs/dbraw/zinc/88/30/69/886883069.db2.gz SLEPUPHARFULRI-UHFFFAOYSA-N 1 2 379.489 3.965 20 30 GHEDLO CCn1cc([C@H](O)C[N@H+](Cc2ccccc2)Cc2cccc(F)c2C#N)cn1 ZINC000794529291 887127896 /nfs/dbraw/zinc/12/78/96/887127896.db2.gz COHRXFSNOLVZPH-JOCHJYFZSA-N 1 2 378.451 3.650 20 30 GHEDLO CCn1cc([C@H](O)C[N@@H+](Cc2ccccc2)Cc2cccc(F)c2C#N)cn1 ZINC000794529291 887127899 /nfs/dbraw/zinc/12/78/99/887127899.db2.gz COHRXFSNOLVZPH-JOCHJYFZSA-N 1 2 378.451 3.650 20 30 GHEDLO Cn1c(CC#N)nn(C[N@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)c1=S ZINC000794616406 887683142 /nfs/dbraw/zinc/68/31/42/887683142.db2.gz HQGSKEWNTXEZLZ-IBGZPJMESA-N 1 2 375.501 3.622 20 30 GHEDLO Cn1c(CC#N)nn(C[N@@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)c1=S ZINC000794616406 887683150 /nfs/dbraw/zinc/68/31/50/887683150.db2.gz HQGSKEWNTXEZLZ-IBGZPJMESA-N 1 2 375.501 3.622 20 30 GHEDLO Cc1c(C(=O)/C=C/c2ncc(C[NH+](C)C)s2)nnn1-c1cccc(Cl)c1 ZINC000794702592 887876624 /nfs/dbraw/zinc/87/66/24/887876624.db2.gz ZWBVVUYOFDKBIT-BQYQJAHWSA-N 1 2 387.896 3.643 20 30 GHEDLO Cc1c(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000794708624 887926156 /nfs/dbraw/zinc/92/61/56/887926156.db2.gz SUNAVNMMJIRNJA-WAYWQWQTSA-N 1 2 390.421 3.534 20 30 GHEDLO C[NH+](C)Cc1cnc(/C=C2\Oc3cc(Br)c(F)cc3C2=O)s1 ZINC000794714933 887964071 /nfs/dbraw/zinc/96/40/71/887964071.db2.gz UDRPXYCNLSZASH-ACAGNQJTSA-N 1 2 383.242 3.723 20 30 GHEDLO C[C@@H](O[NH+]=C(N)c1ccc(CNC(=O)OC(C)(C)C)cc1)c1cccc(C#N)c1 ZINC000794722175 887969948 /nfs/dbraw/zinc/96/99/48/887969948.db2.gz KVPISJRKQYCZRH-OAHLLOKOSA-N 1 2 394.475 3.981 20 30 GHEDLO CC(=[NH+]NC(=S)Nc1ccc(C)cc1C)c1ccc(N2CCOCC2)cc1 ZINC000915912246 888552320 /nfs/dbraw/zinc/55/23/20/888552320.db2.gz AGSNYSNACCDJQV-UHFFFAOYSA-N 1 2 382.533 3.851 20 30 GHEDLO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3ccc(O[C@@H](C)C#N)cc3)n2)c1 ZINC000237355882 888689287 /nfs/dbraw/zinc/68/92/87/888689287.db2.gz ORXMMXJDAHLDHZ-GJZGRUSLSA-N 1 2 378.432 3.887 20 30 GHEDLO Cc1noc(C)c1C[NH+](Cc1c(C)noc1C)C[C@H](O)c1ccc(C#N)cc1 ZINC000763409862 889234150 /nfs/dbraw/zinc/23/41/50/889234150.db2.gz HWWZRSLAZSBJJF-NRFANRHFSA-N 1 2 380.448 3.504 20 30 GHEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCc3ccc(F)c(F)c3C1)CCC2 ZINC000533025064 889536842 /nfs/dbraw/zinc/53/68/42/889536842.db2.gz HQTWXNXYHRVNGJ-UHFFFAOYSA-N 1 2 387.455 3.774 20 30 GHEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCc3ccc(F)c(F)c3C1)CCC2 ZINC000533025064 889536856 /nfs/dbraw/zinc/53/68/56/889536856.db2.gz HQTWXNXYHRVNGJ-UHFFFAOYSA-N 1 2 387.455 3.774 20 30 GHEDLO C#C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccc(Cl)cc1 ZINC000811858741 890052196 /nfs/dbraw/zinc/05/21/96/890052196.db2.gz NNZVCSWGBUCXRG-IBGZPJMESA-N 1 2 382.895 3.899 20 30 GHEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000126017404 890333143 /nfs/dbraw/zinc/33/31/43/890333143.db2.gz WZKSJXYGOKCPDJ-QFIPXVFZSA-N 1 2 376.504 3.677 20 30 GHEDLO CCN(C[C@@H](C)C#N)C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000126914195 890816010 /nfs/dbraw/zinc/81/60/10/890816010.db2.gz MSOVQRYNKJGXNQ-YOEHRIQHSA-N 1 2 378.314 3.594 20 30 GHEDLO C[C@]([NH2+]CC#Cc1cccc(Cl)c1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000127222304 890957376 /nfs/dbraw/zinc/95/73/76/890957376.db2.gz WZPKROMZBRTAMM-GOSISDBHSA-N 1 2 380.797 3.701 20 30 GHEDLO CCOc1ccccc1NC(=O)[C@H](C)O[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000106067275 891245165 /nfs/dbraw/zinc/24/51/65/891245165.db2.gz OXDBUSNMDATHJF-ZDUSSCGKSA-N 1 2 375.856 3.597 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)c2ccccc2OCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246842928 891313617 /nfs/dbraw/zinc/31/36/17/891313617.db2.gz QLGYHQUJDPHJHZ-PKOBYXMFSA-N 1 2 387.842 3.557 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)c2ccccc2OCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246842928 891313634 /nfs/dbraw/zinc/31/36/34/891313634.db2.gz QLGYHQUJDPHJHZ-PKOBYXMFSA-N 1 2 387.842 3.557 20 30 GHEDLO CO[C@]1(C(F)(F)F)CCC[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000614925035 891603598 /nfs/dbraw/zinc/60/35/98/891603598.db2.gz SDHFUKVRUSQCLC-LJQANCHMSA-N 1 2 397.441 3.593 20 30 GHEDLO CO[C@]1(C(F)(F)F)CCC[N@@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000614925035 891603608 /nfs/dbraw/zinc/60/36/08/891603608.db2.gz SDHFUKVRUSQCLC-LJQANCHMSA-N 1 2 397.441 3.593 20 30 GHEDLO C[N@@H+]1CCO[C@@H]([C@H](Nc2c(C#N)nnc3ccccc32)c2ccc(Cl)cc2)C1 ZINC000497521758 891815728 /nfs/dbraw/zinc/81/57/28/891815728.db2.gz HJRCYPPZTOTJCR-WOJBJXKFSA-N 1 2 393.878 3.639 20 30 GHEDLO C[N@H+]1CCO[C@@H]([C@H](Nc2c(C#N)nnc3ccccc32)c2ccc(Cl)cc2)C1 ZINC000497521758 891815734 /nfs/dbraw/zinc/81/57/34/891815734.db2.gz HJRCYPPZTOTJCR-WOJBJXKFSA-N 1 2 393.878 3.639 20 30 GHEDLO C=CCn1c(-c2ccccc2F)nn(C[N@H+](C)CC2CCOCC2)c1=S ZINC000124680125 891816665 /nfs/dbraw/zinc/81/66/65/891816665.db2.gz LTBMJPZVTGBING-UHFFFAOYSA-N 1 2 376.501 3.722 20 30 GHEDLO C=CCn1c(-c2ccccc2F)nn(C[N@@H+](C)CC2CCOCC2)c1=S ZINC000124680125 891816677 /nfs/dbraw/zinc/81/66/77/891816677.db2.gz LTBMJPZVTGBING-UHFFFAOYSA-N 1 2 376.501 3.722 20 30 GHEDLO CC(C)(C)c1nc(CN2CC[NH+](CCOc3ccccc3C#N)CC2)cs1 ZINC000497615018 892013890 /nfs/dbraw/zinc/01/38/90/892013890.db2.gz DXSHLYNLVIWTPU-UHFFFAOYSA-N 1 2 384.549 3.509 20 30 GHEDLO CC(=NNC1=[NH+]C[C@H](C)N1)c1sc(-c2ccccc2Br)nc1C ZINC000814898745 893262210 /nfs/dbraw/zinc/26/22/10/893262210.db2.gz VHQBYOVSPQSJSX-VIFPVBQESA-N 1 2 392.326 3.542 20 30 GHEDLO CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000498115630 893318132 /nfs/dbraw/zinc/31/81/32/893318132.db2.gz DMWROBSYAMYTGW-WMZOPIPTSA-N 1 2 375.831 3.898 20 30 GHEDLO CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000498115630 893318148 /nfs/dbraw/zinc/31/81/48/893318148.db2.gz DMWROBSYAMYTGW-WMZOPIPTSA-N 1 2 375.831 3.898 20 30 GHEDLO COc1cccc([C@H]2[C@H](NCc3cc(C#N)cnc3Cl)CC[N@@H+]2C2CC2)c1 ZINC000877167102 893517498 /nfs/dbraw/zinc/51/74/98/893517498.db2.gz NCQODFJVIGHCDE-UXHICEINSA-N 1 2 382.895 3.683 20 30 GHEDLO COc1cccc([C@H]2[C@H](NCc3cc(C#N)cnc3Cl)CC[N@H+]2C2CC2)c1 ZINC000877167102 893517512 /nfs/dbraw/zinc/51/75/12/893517512.db2.gz NCQODFJVIGHCDE-UXHICEINSA-N 1 2 382.895 3.683 20 30 GHEDLO COc1cccc([C@@H]2[C@H](NCc3cc(C#N)cnc3Cl)CC[N@@H+]2C2CC2)c1 ZINC000877167104 893517941 /nfs/dbraw/zinc/51/79/41/893517941.db2.gz NCQODFJVIGHCDE-WOJBJXKFSA-N 1 2 382.895 3.683 20 30 GHEDLO COc1cccc([C@@H]2[C@H](NCc3cc(C#N)cnc3Cl)CC[N@H+]2C2CC2)c1 ZINC000877167104 893517956 /nfs/dbraw/zinc/51/79/56/893517956.db2.gz NCQODFJVIGHCDE-WOJBJXKFSA-N 1 2 382.895 3.683 20 30 GHEDLO COc1c(Br)cc(C[N@H+](C)[C@H](C)CC#N)cc1Br ZINC000536682919 893552181 /nfs/dbraw/zinc/55/21/81/893552181.db2.gz ZHNXUEDSLVHULD-SECBINFHSA-N 1 2 376.092 3.954 20 30 GHEDLO COc1c(Br)cc(C[N@@H+](C)[C@H](C)CC#N)cc1Br ZINC000536682919 893552209 /nfs/dbraw/zinc/55/22/09/893552209.db2.gz ZHNXUEDSLVHULD-SECBINFHSA-N 1 2 376.092 3.954 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC12CC[NH+](Cc1cc(C#N)cnc1Cl)CC2 ZINC000877596534 893708584 /nfs/dbraw/zinc/70/85/84/893708584.db2.gz UAPDNBRCZKXLET-UHFFFAOYSA-N 1 2 376.888 3.582 20 30 GHEDLO C[C@@H](CCCc1ccccc1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000537163474 894470307 /nfs/dbraw/zinc/47/03/07/894470307.db2.gz ABKOFOXWPFMXJK-FQEVSTJZSA-N 1 2 375.516 3.861 20 30 GHEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000879135658 894857041 /nfs/dbraw/zinc/85/70/41/894857041.db2.gz DHHRNNNTEZGKPF-ULQDDVLXSA-N 1 2 379.464 3.917 20 30 GHEDLO C#CCC1(O)CC[NH+](Cc2csc(COc3ccc(Cl)cc3)n2)CC1 ZINC000880479430 895725381 /nfs/dbraw/zinc/72/53/81/895725381.db2.gz UJXSZHOYOKFDGI-UHFFFAOYSA-N 1 2 376.909 3.726 20 30 GHEDLO C[C@@H]1CCN(C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000880927040 896005024 /nfs/dbraw/zinc/00/50/24/896005024.db2.gz DWKRVENXVMANNZ-COXVUDFISA-N 1 2 391.397 3.651 20 30 GHEDLO CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000819202184 896475626 /nfs/dbraw/zinc/47/56/26/896475626.db2.gz GMZWNXUKIQAEDN-MRXNPFEDSA-N 1 2 383.452 3.602 20 30 GHEDLO N#Cc1cccc(OCCCCC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC000882872795 897060260 /nfs/dbraw/zinc/06/02/60/897060260.db2.gz MANHQWCQSJKRPA-QFIPXVFZSA-N 1 2 388.471 3.862 20 30 GHEDLO COC(=O)c1cccc(C[NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)c1C#N ZINC000567455522 897173437 /nfs/dbraw/zinc/17/34/37/897173437.db2.gz BHZYSRACGKBXMI-GOSISDBHSA-N 1 2 392.377 3.577 20 30 GHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCc3ccc(C#N)s3)n2)C1 ZINC000569209718 898430669 /nfs/dbraw/zinc/43/06/69/898430669.db2.gz OKSGMAVUTMOWDL-LBPRGKRZSA-N 1 2 375.523 3.630 20 30 GHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCc3ccc(C#N)s3)n2)C1 ZINC000569209718 898430676 /nfs/dbraw/zinc/43/06/76/898430676.db2.gz OKSGMAVUTMOWDL-LBPRGKRZSA-N 1 2 375.523 3.630 20 30 GHEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](CC[C@H]2CC2(Cl)Cl)CC1 ZINC000822700397 898573414 /nfs/dbraw/zinc/57/34/14/898573414.db2.gz DPRMURHDUZZIHO-LBPRGKRZSA-N 1 2 381.263 3.512 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)Cc3ccc(C#N)cc3)n2)C1 ZINC000043546714 898706639 /nfs/dbraw/zinc/70/66/39/898706639.db2.gz NBLQQMLQUANENC-OAHLLOKOSA-N 1 2 383.521 3.911 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)Cc3ccc(C#N)cc3)n2)C1 ZINC000043546714 898706643 /nfs/dbraw/zinc/70/66/43/898706643.db2.gz NBLQQMLQUANENC-OAHLLOKOSA-N 1 2 383.521 3.911 20 30 GHEDLO N#Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)[nH]1 ZINC000155590238 898914118 /nfs/dbraw/zinc/91/41/18/898914118.db2.gz DQQUUSOSMGZIPQ-UHFFFAOYSA-N 1 2 394.475 3.712 20 30 GHEDLO C[C@@H](c1cccc(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)c1)[NH+]1CCOCC1 ZINC000570377978 899288874 /nfs/dbraw/zinc/28/88/74/899288874.db2.gz SLXZJNCYVNFVMB-WQTXXOFMSA-N 1 2 375.472 3.694 20 30 GHEDLO C[C@H](c1cccc(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)c1)[NH+]1CCOCC1 ZINC000570377977 899289092 /nfs/dbraw/zinc/28/90/92/899289092.db2.gz SLXZJNCYVNFVMB-URZJWIJPSA-N 1 2 375.472 3.694 20 30 GHEDLO Cc1cc(NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c(C#N)cc1N(C)C ZINC000332455604 899682189 /nfs/dbraw/zinc/68/21/89/899682189.db2.gz HDGFLAUGCSCQON-INIZCTEOSA-N 1 2 397.548 3.905 20 30 GHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)c1=S ZINC000884481032 900124487 /nfs/dbraw/zinc/12/44/87/900124487.db2.gz FGOPHVUULCNWAR-ZWKOTPCHSA-N 1 2 385.537 3.511 20 30 GHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)c1=S ZINC000884481032 900124491 /nfs/dbraw/zinc/12/44/91/900124491.db2.gz FGOPHVUULCNWAR-ZWKOTPCHSA-N 1 2 385.537 3.511 20 30 GHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1=S ZINC000884481031 900124647 /nfs/dbraw/zinc/12/46/47/900124647.db2.gz FGOPHVUULCNWAR-ROUUACIJSA-N 1 2 385.537 3.511 20 30 GHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1=S ZINC000884481031 900124650 /nfs/dbraw/zinc/12/46/50/900124650.db2.gz FGOPHVUULCNWAR-ROUUACIJSA-N 1 2 385.537 3.511 20 30 GHEDLO C=CCn1c(-c2ccccc2F)nn(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1=S ZINC000884482403 900125446 /nfs/dbraw/zinc/12/54/46/900125446.db2.gz AVSOSRJETPUXSY-YJBOKZPZSA-N 1 2 388.512 3.865 20 30 GHEDLO C=CCn1c(-c2ccccc2F)nn(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1=S ZINC000884482403 900125454 /nfs/dbraw/zinc/12/54/54/900125454.db2.gz AVSOSRJETPUXSY-YJBOKZPZSA-N 1 2 388.512 3.865 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1=S ZINC000884482877 900127044 /nfs/dbraw/zinc/12/70/44/900127044.db2.gz JAIJRZFQGAGKIJ-WMZOPIPTSA-N 1 2 388.512 3.865 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1=S ZINC000884482877 900127049 /nfs/dbraw/zinc/12/70/49/900127049.db2.gz JAIJRZFQGAGKIJ-WMZOPIPTSA-N 1 2 388.512 3.865 20 30 GHEDLO N#Cc1cccc(Cl)c1CN1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001143724561 900444266 /nfs/dbraw/zinc/44/42/66/900444266.db2.gz QINDSTBPUKSWML-INIZCTEOSA-N 1 2 393.878 3.514 20 30 GHEDLO CCn1cc(C[N@H+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C(C)C)cn1 ZINC000844417386 900822043 /nfs/dbraw/zinc/82/20/43/900822043.db2.gz MIMPBAWMQSQGAH-UHFFFAOYSA-N 1 2 381.524 3.677 20 30 GHEDLO CCn1cc(C[N@@H+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C(C)C)cn1 ZINC000844417386 900822046 /nfs/dbraw/zinc/82/20/46/900822046.db2.gz MIMPBAWMQSQGAH-UHFFFAOYSA-N 1 2 381.524 3.677 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000066954464 901028952 /nfs/dbraw/zinc/02/89/52/901028952.db2.gz HODDMXSVQQKCAP-INIZCTEOSA-N 1 2 381.505 3.830 20 30 GHEDLO C[C@H](OC(=O)C[C@H](C)n1cc[nH+]c1)C(=O)/C=C1\N(C)c2ccccc2C1(C)C ZINC000845279443 902004791 /nfs/dbraw/zinc/00/47/91/902004791.db2.gz WNPLHTPNLGLYHD-PQMLIQTNSA-N 1 2 381.476 3.647 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000126791793 902370392 /nfs/dbraw/zinc/37/03/92/902370392.db2.gz OFUTWPAHNSRXFV-PXNSSMCTSA-N 1 2 395.528 3.920 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000126791793 902370406 /nfs/dbraw/zinc/37/04/06/902370406.db2.gz OFUTWPAHNSRXFV-PXNSSMCTSA-N 1 2 395.528 3.920 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000264512476 903159248 /nfs/dbraw/zinc/15/92/48/903159248.db2.gz XZCIQDJOBUCCDJ-HNNXBMFYSA-N 1 2 397.500 3.880 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000264512476 903159252 /nfs/dbraw/zinc/15/92/52/903159252.db2.gz XZCIQDJOBUCCDJ-HNNXBMFYSA-N 1 2 397.500 3.880 20 30 GHEDLO N#CC[C@@H]1CCCN(C(=O)[C@@H](c2cccc(Br)c2)[NH+]2CCCC2)C1 ZINC001147059864 903678969 /nfs/dbraw/zinc/67/89/69/903678969.db2.gz CDULMFIQGPDGHV-MAUKXSAKSA-N 1 2 390.325 3.738 20 30 GHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1C ZINC000578682967 904048570 /nfs/dbraw/zinc/04/85/70/904048570.db2.gz AUWGCDLAQLJTOZ-IRLDBZIGSA-N 1 2 381.520 3.584 20 30 GHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1C ZINC000578682967 904048580 /nfs/dbraw/zinc/04/85/80/904048580.db2.gz AUWGCDLAQLJTOZ-IRLDBZIGSA-N 1 2 381.520 3.584 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCC2CCC(C#N)CC2)C[C@H](C)O1 ZINC000282744006 904299848 /nfs/dbraw/zinc/29/98/48/904299848.db2.gz PARDUCQRGUYHMO-LPOKXYRGSA-N 1 2 384.524 3.747 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCC2CCC(C#N)CC2)C[C@H](C)O1 ZINC000282744006 904299863 /nfs/dbraw/zinc/29/98/63/904299863.db2.gz PARDUCQRGUYHMO-LPOKXYRGSA-N 1 2 384.524 3.747 20 30 GHEDLO COc1c(C)c[nH+]c(CN(C)C(=O)NCc2ccc(SC)c(C#N)c2)c1C ZINC000890452073 905060181 /nfs/dbraw/zinc/06/01/81/905060181.db2.gz JTKUGJPEYHASDW-UHFFFAOYSA-N 1 2 384.505 3.642 20 30 GHEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H](C(=O)c4ccc(F)cc4)C3)o2)cc1 ZINC000173782550 905125197 /nfs/dbraw/zinc/12/51/97/905125197.db2.gz ZETJGXRVUKYKPV-SFHVURJKSA-N 1 2 390.418 3.842 20 30 GHEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H](C(=O)c4ccc(F)cc4)C3)o2)cc1 ZINC000173782550 905125208 /nfs/dbraw/zinc/12/52/08/905125208.db2.gz ZETJGXRVUKYKPV-SFHVURJKSA-N 1 2 390.418 3.842 20 30 GHEDLO O=C(C#Cc1ccc(C(F)(F)F)cc1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000189959097 905428534 /nfs/dbraw/zinc/42/85/34/905428534.db2.gz NCAIJNMTUBQHHO-UHFFFAOYSA-N 1 2 399.372 3.971 20 30 GHEDLO C[N@@H+]1CCCn2nc(C(=O)Nc3cc(-c4ccc(F)cc4)sc3C#N)cc2C1 ZINC001175036225 907346384 /nfs/dbraw/zinc/34/63/84/907346384.db2.gz RQBVBQIRJBFLNS-UHFFFAOYSA-N 1 2 395.463 3.710 20 30 GHEDLO C[N@H+]1CCCn2nc(C(=O)Nc3cc(-c4ccc(F)cc4)sc3C#N)cc2C1 ZINC001175036225 907346403 /nfs/dbraw/zinc/34/64/03/907346403.db2.gz RQBVBQIRJBFLNS-UHFFFAOYSA-N 1 2 395.463 3.710 20 30 GHEDLO Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)s1 ZINC000185021993 907699137 /nfs/dbraw/zinc/69/91/37/907699137.db2.gz JZFILXSCMYWMTD-AWEZNQCLSA-N 1 2 397.504 3.672 20 30 GHEDLO C#Cc1cccc(Nc2ccc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)[nH+]c2)c1 ZINC001175973817 907846438 /nfs/dbraw/zinc/84/64/38/907846438.db2.gz FKMFBYQLPXZAOM-LJQANCHMSA-N 1 2 378.476 3.910 20 30 GHEDLO N#CCCN(C(=O)C[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000192473937 908793061 /nfs/dbraw/zinc/79/30/61/908793061.db2.gz LNSPWBQRUNXTQR-UHFFFAOYSA-N 1 2 393.462 3.667 20 30 GHEDLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NCc1ccc(F)cc1C(F)(F)F ZINC000635300084 909206711 /nfs/dbraw/zinc/20/67/11/909206711.db2.gz JFXUZRAHLOHCSI-GFCCVEGCSA-N 1 2 383.267 3.851 20 30 GHEDLO COc1cc(C[N@H+](C)CC(=O)Nc2ccccc2S[C@H](C)CC#N)ccc1O ZINC000267406383 909484218 /nfs/dbraw/zinc/48/42/18/909484218.db2.gz RZJKYYMWWFSLID-OAHLLOKOSA-N 1 2 399.516 3.866 20 30 GHEDLO COc1cc(C[N@@H+](C)CC(=O)Nc2ccccc2S[C@H](C)CC#N)ccc1O ZINC000267406383 909484248 /nfs/dbraw/zinc/48/42/48/909484248.db2.gz RZJKYYMWWFSLID-OAHLLOKOSA-N 1 2 399.516 3.866 20 30 GHEDLO COc1ccc(C[NH2+]Cc2csc([C@H](C)OC)n2)cc1OCCCC#N ZINC000267663370 909579856 /nfs/dbraw/zinc/57/98/56/909579856.db2.gz XEPZGKXGIOASJD-AWEZNQCLSA-N 1 2 375.494 3.831 20 30 GHEDLO N#CC1(CC(=O)N2CC[NH+](CCCC(=O)c3ccc(F)cc3)CC2)CCCCC1 ZINC001181362433 910727876 /nfs/dbraw/zinc/72/78/76/910727876.db2.gz HMTHXRWDSIDBDP-UHFFFAOYSA-N 1 2 399.510 3.797 20 30 GHEDLO C#Cc1cnc(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+]2CCCCCC2)c(C#C)n1 ZINC001182243501 911323621 /nfs/dbraw/zinc/32/36/21/911323621.db2.gz IWEKJMDNDPQJTH-FQEVSTJZSA-N 1 2 392.890 3.648 20 30 GHEDLO N#CC1(CCC[N@@H+]2CCO[C@H](c3ccccc3Br)C2)CCOCC1 ZINC000366892575 921801224 /nfs/dbraw/zinc/80/12/24/921801224.db2.gz FHUVCPTTWAROSX-SFHVURJKSA-N 1 2 393.325 3.923 20 30 GHEDLO N#CC1(CCC[N@H+]2CCO[C@H](c3ccccc3Br)C2)CCOCC1 ZINC000366892575 921801240 /nfs/dbraw/zinc/80/12/40/921801240.db2.gz FHUVCPTTWAROSX-SFHVURJKSA-N 1 2 393.325 3.923 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2cc(F)ccc2Br)C1=O ZINC001275723099 916392872 /nfs/dbraw/zinc/39/28/72/916392872.db2.gz XILMFIQLBYOOJH-SFHVURJKSA-N 1 2 381.289 3.731 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2cc(F)ccc2Br)C1=O ZINC001275723099 916392890 /nfs/dbraw/zinc/39/28/90/916392890.db2.gz XILMFIQLBYOOJH-SFHVURJKSA-N 1 2 381.289 3.731 20 30 GHEDLO C=C(C)CNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(Br)cc1F)CC2 ZINC001275724509 916409139 /nfs/dbraw/zinc/40/91/39/916409139.db2.gz RTMNKWGCZHFGJN-MRXNPFEDSA-N 1 2 395.316 3.883 20 30 GHEDLO Cc1sc(NC(=O)C[NH+]2CCC3(CC2)OCc2ccccc23)c(C#N)c1C ZINC000362821602 917439665 /nfs/dbraw/zinc/43/96/65/917439665.db2.gz ARKYJZCBXAOYQJ-UHFFFAOYSA-N 1 2 381.501 3.697 20 30 GHEDLO N#Cc1ccc(C[NH2+][C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)o1 ZINC000363053644 917690036 /nfs/dbraw/zinc/69/00/36/917690036.db2.gz MRIJOGCJFPSFPR-KRWDZBQOSA-N 1 2 377.366 3.623 20 30 GHEDLO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C(=O)NC2CC2)c2ccc(F)cc2)c1 ZINC000113952400 919383279 /nfs/dbraw/zinc/38/32/79/919383279.db2.gz RLOUNXQFOAVJPU-FPOVZHCZSA-N 1 2 381.451 3.616 20 30 GHEDLO C=CCn1c(-c2ccccc2F)nn(CN2CCc3c([nH+]cn3CC)C2)c1=S ZINC000902543361 922269109 /nfs/dbraw/zinc/26/91/09/922269109.db2.gz RKUFGFRWIQXPOY-UHFFFAOYSA-N 1 2 398.511 3.638 20 30 GHEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000370944480 924360711 /nfs/dbraw/zinc/36/07/11/924360711.db2.gz JXYSRYNXHUCCHR-CYBMUJFWSA-N 1 2 384.436 3.718 20 30 GHEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000370944480 924360721 /nfs/dbraw/zinc/36/07/21/924360721.db2.gz JXYSRYNXHUCCHR-CYBMUJFWSA-N 1 2 384.436 3.718 20 30 GHEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c(F)c(Cl)ccc1C(F)(F)F ZINC001276068690 925148871 /nfs/dbraw/zinc/14/88/71/925148871.db2.gz CKAMMRLKAUQVDR-HUUCEWRRSA-N 1 2 388.792 3.696 20 30 GHEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(F)c(Cl)ccc1C(F)(F)F ZINC001276068690 925148878 /nfs/dbraw/zinc/14/88/78/925148878.db2.gz CKAMMRLKAUQVDR-HUUCEWRRSA-N 1 2 388.792 3.696 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@](OC)(C(F)(F)F)C1 ZINC000682039924 925990041 /nfs/dbraw/zinc/99/00/41/925990041.db2.gz JFUBDXYPGGJUFY-YOEHRIQHSA-N 1 2 390.471 3.695 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@](OC)(C(F)(F)F)C1 ZINC000682039924 925990048 /nfs/dbraw/zinc/99/00/48/925990048.db2.gz JFUBDXYPGGJUFY-YOEHRIQHSA-N 1 2 390.471 3.695 20 30 GHEDLO COC(=O)c1nc([C@@H]2CCC[N@@H+]2Cc2ccc(O[C@H](C)C#N)cc2)sc1C ZINC000373489834 926186647 /nfs/dbraw/zinc/18/66/47/926186647.db2.gz MWTFLGQJYVSXRV-DYVFJYSZSA-N 1 2 385.489 3.866 20 30 GHEDLO COC(=O)c1nc([C@@H]2CCC[N@H+]2Cc2ccc(O[C@H](C)C#N)cc2)sc1C ZINC000373489834 926186648 /nfs/dbraw/zinc/18/66/48/926186648.db2.gz MWTFLGQJYVSXRV-DYVFJYSZSA-N 1 2 385.489 3.866 20 30 GHEDLO CCCCCCCCC/C=C/C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000726883812 926908883 /nfs/dbraw/zinc/90/88/83/926908883.db2.gz LEZCEZGMBJNKSJ-VAWYXSNFSA-N 1 2 398.555 3.709 20 30 GHEDLO C=CCn1c(-c2ccccc2C)nn(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c1=S ZINC000749799541 927278574 /nfs/dbraw/zinc/27/85/74/927278574.db2.gz XMSSLVQLDRLPJG-ROUUACIJSA-N 1 2 384.549 3.891 20 30 GHEDLO C=CCn1c(-c2ccccc2C)nn(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)c1=S ZINC000749799541 927278582 /nfs/dbraw/zinc/27/85/82/927278582.db2.gz XMSSLVQLDRLPJG-ROUUACIJSA-N 1 2 384.549 3.891 20 30 GHEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1=S ZINC000749800694 927280944 /nfs/dbraw/zinc/28/09/44/927280944.db2.gz SJXRUEGOBJBVBQ-RTBURBONSA-N 1 2 384.549 3.891 20 30 GHEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1=S ZINC000749800694 927280956 /nfs/dbraw/zinc/28/09/56/927280956.db2.gz SJXRUEGOBJBVBQ-RTBURBONSA-N 1 2 384.549 3.891 20 30 GHEDLO O=[N+]([O-])c1cccc(Oc2ccc(C=NNC3=[NH+][C@@H]4CCCC[C@H]4N3)cc2)c1 ZINC000753928130 929596531 /nfs/dbraw/zinc/59/65/31/929596531.db2.gz IODLDOLDSIVVRZ-RTBURBONSA-N 1 2 379.420 3.581 20 30 GHEDLO COc1cccc(-c2nn(C(C)(C)C)cc2C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)c1 ZINC000753930916 929598921 /nfs/dbraw/zinc/59/89/21/929598921.db2.gz XFIRVCQNBXMGPB-RTBURBONSA-N 1 2 394.523 3.508 20 30 GHEDLO COc1cc(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)c(-c2ccccc2)cc1OC ZINC000753935020 929600618 /nfs/dbraw/zinc/60/06/18/929600618.db2.gz MDFQBXGQUYFIJI-OALUTQOASA-N 1 2 378.476 3.565 20 30 GHEDLO Cc1ccc([C@]2(C)CC(=O)N(C[N@H+](Cc3ccc(C#N)cc3)C(C)C)C2=O)cc1 ZINC000758303441 930005750 /nfs/dbraw/zinc/00/57/50/930005750.db2.gz AYQSOXHKKOOWOA-DEOSSOPVSA-N 1 2 389.499 3.751 20 30 GHEDLO Cc1ccc([C@]2(C)CC(=O)N(C[N@@H+](Cc3ccc(C#N)cc3)C(C)C)C2=O)cc1 ZINC000758303441 930005751 /nfs/dbraw/zinc/00/57/51/930005751.db2.gz AYQSOXHKKOOWOA-DEOSSOPVSA-N 1 2 389.499 3.751 20 30 GHEDLO CO[C@@]1(C(F)(F)F)CCC[N@H+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C1 ZINC000781977039 931049286 /nfs/dbraw/zinc/04/92/86/931049286.db2.gz HVYYYAWXBVGKQC-IBGZPJMESA-N 1 2 397.441 3.593 20 30 GHEDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C1 ZINC000781977039 931049295 /nfs/dbraw/zinc/04/92/95/931049295.db2.gz HVYYYAWXBVGKQC-IBGZPJMESA-N 1 2 397.441 3.593 20 30 GHEDLO CO[C@]1(C(F)(F)F)CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000781983089 931051030 /nfs/dbraw/zinc/05/10/30/931051030.db2.gz FBALOMIIFDNRET-VQIMIIECSA-N 1 2 397.441 3.674 20 30 GHEDLO CO[C@]1(C(F)(F)F)CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000781983089 931051035 /nfs/dbraw/zinc/05/10/35/931051035.db2.gz FBALOMIIFDNRET-VQIMIIECSA-N 1 2 397.441 3.674 20 30 GHEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)nc1-c1cccnc1 ZINC000782288707 931158746 /nfs/dbraw/zinc/15/87/46/931158746.db2.gz DTRHFZYRMSUWQU-GOSISDBHSA-N 1 2 392.532 3.579 20 30 GHEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@H](Cc3ccncc3)C2)nc1-c1cccnc1 ZINC000782288707 931158754 /nfs/dbraw/zinc/15/87/54/931158754.db2.gz DTRHFZYRMSUWQU-GOSISDBHSA-N 1 2 392.532 3.579 20 30 GHEDLO COc1cccc2c1CC[N@H+](CC(=O)[C@H](C#N)c1nc3ccccc3s1)C2 ZINC000782529924 931260066 /nfs/dbraw/zinc/26/00/66/931260066.db2.gz SMYMPJFWTOVOBX-INIZCTEOSA-N 1 2 377.469 3.539 20 30 GHEDLO COc1cccc2c1CC[N@@H+](CC(=O)[C@H](C#N)c1nc3ccccc3s1)C2 ZINC000782529924 931260074 /nfs/dbraw/zinc/26/00/74/931260074.db2.gz SMYMPJFWTOVOBX-INIZCTEOSA-N 1 2 377.469 3.539 20 30 GHEDLO CC[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2F)CC1)c1cccc(C#N)c1O ZINC000924664174 931466971 /nfs/dbraw/zinc/46/69/71/931466971.db2.gz OSKNIVDSHZQTIW-HXUWFJFHSA-N 1 2 381.451 3.748 20 30 GHEDLO CC(=NNc1cc[nH+]c2ccccc12)c1cnccc1NC(=O)OC(C)(C)C ZINC000783516652 931570129 /nfs/dbraw/zinc/57/01/29/931570129.db2.gz OSMQSFOCEDSEAK-UHFFFAOYSA-N 1 2 377.448 3.657 20 30 GHEDLO O=C(/C=C/c1cc(-n2cc[nH+]c2)cs1)c1ccc(N2CCC(O)CC2)cc1 ZINC000783706656 931624599 /nfs/dbraw/zinc/62/45/99/931624599.db2.gz JZRPUOVADDMGFU-AATRIKPKSA-N 1 2 379.485 3.791 20 30 GHEDLO C=CCn1c2ccccc2n(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)c1=S ZINC000784000814 931750395 /nfs/dbraw/zinc/75/03/95/931750395.db2.gz SLRGMUHTMUKBHW-QGZVFWFLSA-N 1 2 387.549 3.833 20 30 GHEDLO CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1Br ZINC000796706495 932037781 /nfs/dbraw/zinc/03/77/81/932037781.db2.gz XOKOQOKICJYKSJ-INIZCTEOSA-N 1 2 394.313 3.810 20 30 GHEDLO CC(C)NC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Br ZINC000796706495 932037783 /nfs/dbraw/zinc/03/77/83/932037783.db2.gz XOKOQOKICJYKSJ-INIZCTEOSA-N 1 2 394.313 3.810 20 30 GHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)OC[C@@H](C#N)Cc1cccs1 ZINC000796807088 932074891 /nfs/dbraw/zinc/07/48/91/932074891.db2.gz XZQWUIXVNCXASU-GFCCVEGCSA-N 1 2 375.400 3.610 20 30 GHEDLO CC(C)c1c(Cl)nc[nH+]c1NNC1=CC(=O)N(C(=O)OC(C)(C)C)[C@H]1C ZINC000797403410 932271618 /nfs/dbraw/zinc/27/16/18/932271618.db2.gz LTWOLCDGAZJDLD-JTQLQIEISA-N 1 2 381.864 3.577 20 30 GHEDLO CON=Cc1ccc(C(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)cc1 ZINC000797780771 932405473 /nfs/dbraw/zinc/40/54/73/932405473.db2.gz STDJEOHSCCVMLS-UHFFFAOYSA-N 1 2 396.878 3.859 20 30 GHEDLO O=C1C=C([NH2+]Nc2ccc(Br)cc2C(F)(F)F)[C@@H]2CCCN12 ZINC000799479743 933018368 /nfs/dbraw/zinc/01/83/68/933018368.db2.gz DZNRCUXIEKPUAX-LBPRGKRZSA-N 1 2 376.176 3.631 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=S)Nc2ccccc2C#N)[C@H](C)C1 ZINC000799509144 933021709 /nfs/dbraw/zinc/02/17/09/933021709.db2.gz SEMHECIMJKCIDN-QGZVFWFLSA-N 1 2 394.544 3.860 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=S)Nc2ccccc2C#N)[C@H](C)C1 ZINC000799509144 933021722 /nfs/dbraw/zinc/02/17/22/933021722.db2.gz SEMHECIMJKCIDN-QGZVFWFLSA-N 1 2 394.544 3.860 20 30 GHEDLO CCCCCCCS(=O)(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000799778440 933113499 /nfs/dbraw/zinc/11/34/99/933113499.db2.gz SWQIRSJHEJZFLB-UHFFFAOYSA-N 1 2 381.586 3.920 20 30 GHEDLO C=CCn1c(C)nn(C[N@@H+](CCC)[C@@H](C)CC(=O)Nc2ccccc2)c1=S ZINC000799946998 933184496 /nfs/dbraw/zinc/18/44/96/933184496.db2.gz AUUKIYBXDLMUQS-INIZCTEOSA-N 1 2 387.553 3.995 20 30 GHEDLO C=CCn1c(C)nn(C[N@H+](CCC)[C@@H](C)CC(=O)Nc2ccccc2)c1=S ZINC000799946998 933184499 /nfs/dbraw/zinc/18/44/99/933184499.db2.gz AUUKIYBXDLMUQS-INIZCTEOSA-N 1 2 387.553 3.995 20 30 GHEDLO C[N@H+](Cc1cc(F)c(F)c(F)c1)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000777745123 933222590 /nfs/dbraw/zinc/22/25/90/933222590.db2.gz MUTBFTNTHWJHKB-AWEZNQCLSA-N 1 2 396.372 3.773 20 30 GHEDLO C[N@@H+](Cc1cc(F)c(F)c(F)c1)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000777745123 933222597 /nfs/dbraw/zinc/22/25/97/933222597.db2.gz MUTBFTNTHWJHKB-AWEZNQCLSA-N 1 2 396.372 3.773 20 30 GHEDLO OC1(C(F)(F)F)CC[NH+](Cc2ccc(OC(F)F)cc2OC(F)F)CC1 ZINC001116516472 933604658 /nfs/dbraw/zinc/60/46/58/933604658.db2.gz GULDTKXSTKHRAI-UHFFFAOYSA-N 1 2 391.283 3.779 20 30 GHEDLO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3ccnc(Cl)c3F)CC2)C1 ZINC001139661668 934020838 /nfs/dbraw/zinc/02/08/38/934020838.db2.gz USWRXKBLXKTGPY-UHFFFAOYSA-N 1 2 381.879 3.875 20 30 GHEDLO CC(C)C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000561940879 934574591 /nfs/dbraw/zinc/57/45/91/934574591.db2.gz GDCBCCDWIHIRNX-IBGZPJMESA-N 1 2 384.911 3.912 20 30 GHEDLO CC(C)C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000561940879 934574593 /nfs/dbraw/zinc/57/45/93/934574593.db2.gz GDCBCCDWIHIRNX-IBGZPJMESA-N 1 2 384.911 3.912 20 30 GHEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001121415107 934650633 /nfs/dbraw/zinc/65/06/33/934650633.db2.gz IWFLILVKKMXYTL-GOSISDBHSA-N 1 2 398.942 3.555 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC[C@H](COC)C1 ZINC001121580805 934705187 /nfs/dbraw/zinc/70/51/87/934705187.db2.gz FGWKPZIDRZUBMY-ICSRJNTNSA-N 1 2 383.540 3.520 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC[C@H](COC)C1 ZINC001121580805 934705191 /nfs/dbraw/zinc/70/51/91/934705191.db2.gz FGWKPZIDRZUBMY-ICSRJNTNSA-N 1 2 383.540 3.520 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)Cc1ccccc1Cl ZINC001121802427 934768425 /nfs/dbraw/zinc/76/84/25/934768425.db2.gz YGKZWNVISRISON-UHFFFAOYSA-N 1 2 386.931 3.681 20 30 GHEDLO N#CCC[NH+]1CCC(c2nnc(N3CCCCCC3)n2Cc2ccccc2)CC1 ZINC001122077895 934816240 /nfs/dbraw/zinc/81/62/40/934816240.db2.gz SJIMOVCLPDSYPK-UHFFFAOYSA-N 1 2 392.551 3.800 20 30 GHEDLO C=C(C)Cn1c(Cc2[nH+]ccn2Cc2ccccc2)nnc1N1CCC(F)CC1 ZINC001122399489 934861998 /nfs/dbraw/zinc/86/19/98/934861998.db2.gz CEGNUJNCDMYLAK-UHFFFAOYSA-N 1 2 394.498 3.628 20 30 GHEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(NCCOc2ccc(C#N)cc2)[nH+]1 ZINC001171485184 1014964988 /nfs/dbraw/zinc/96/49/88/1014964988.db2.gz FIGOIVYCRPAYMA-BEOTVBTESA-N 1 2 384.505 3.634 20 30 GHEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CC=C(c3cccc(Br)c3)CC2)cc1 ZINC000545172485 1015612248 /nfs/dbraw/zinc/61/22/48/1015612248.db2.gz YJGPALVLFQYQJT-IBGZPJMESA-N 1 2 396.288 3.636 20 30 GHEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CC=C(c3cccc(Br)c3)CC2)cc1 ZINC000545172485 1015612256 /nfs/dbraw/zinc/61/22/56/1015612256.db2.gz YJGPALVLFQYQJT-IBGZPJMESA-N 1 2 396.288 3.636 20 30 GHEDLO Cc1cc(Br)cn2cc(CCNC(=O)Nc3cccc(C#N)c3)[nH+]c12 ZINC000545345937 1015793957 /nfs/dbraw/zinc/79/39/57/1015793957.db2.gz ASMKYIVEOBHWFX-UHFFFAOYSA-N 1 2 398.264 3.641 20 30 GHEDLO C[C@]12C[NH+](Cc3ccccc3)C[C@]1(C)C[NH+]([C@@H](C(=O)[O-])c1ccc(C#N)cc1)C2 ZINC001594088962 998027583 /nfs/dbraw/zinc/02/75/83/998027583.db2.gz UNNXUOMDXLXDMK-GMKZXUHWSA-N 1 2 389.499 3.528 20 30 GHEDLO C=CCNC(=O)c1cccc(-c2noc(-c3ccc(Cn4cc[nH+]c4)cc3)n2)c1 ZINC000547063231 1016797709 /nfs/dbraw/zinc/79/77/09/1016797709.db2.gz XCNOJATUTIUCCK-UHFFFAOYSA-N 1 2 385.427 3.564 20 30 GHEDLO C#CCN1CC2(CCC1=O)CC[NH+](Cc1c(F)ccc(Cl)c1Cl)CC2 ZINC001276455208 1032721096 /nfs/dbraw/zinc/72/10/96/1032721096.db2.gz IRGUBYWKLXGRGW-UHFFFAOYSA-N 1 2 383.294 3.970 20 30 GHEDLO COc1cc(C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)ccc1C#N ZINC001155838837 1032737335 /nfs/dbraw/zinc/73/73/35/1032737335.db2.gz KOBAYTDOBJZZOG-KRWDZBQOSA-N 1 2 378.476 3.625 20 30 GHEDLO COc1cc(C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)ccc1C#N ZINC001155838837 1032737350 /nfs/dbraw/zinc/73/73/50/1032737350.db2.gz KOBAYTDOBJZZOG-KRWDZBQOSA-N 1 2 378.476 3.625 20 30 GHEDLO C[C@H]([NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2)c1cc(C#N)ccn1 ZINC000902772827 1021536377 /nfs/dbraw/zinc/53/63/77/1021536377.db2.gz IXGBCLJOMUCGTD-RYUDHWBXSA-N 1 2 388.265 3.899 20 30 GHEDLO C=CCC[C@@H](CO)[NH2+][C@H](C)c1cc(Br)cc(Br)c1O ZINC000834905217 1021658482 /nfs/dbraw/zinc/65/84/82/1021658482.db2.gz UNOJIYMKKHPZKS-KOLCDFICSA-N 1 2 393.119 3.895 20 30 GHEDLO N#Cc1cccc(N2CC[NH+](Cc3c[nH]c4ncc(Br)cc34)CC2)c1 ZINC001140460573 1021750335 /nfs/dbraw/zinc/75/03/35/1021750335.db2.gz JIQNYHDBSYERIS-UHFFFAOYSA-N 1 2 396.292 3.519 20 30 GHEDLO CCn1c2ccccc2nc1N1CC[NH+](Cc2cc(C#N)ccc2Cl)CC1 ZINC001140604135 1022055379 /nfs/dbraw/zinc/05/53/79/1022055379.db2.gz RLTOSUPBFYJSFZ-UHFFFAOYSA-N 1 2 379.895 3.903 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@H+](C)CCN(C(=O)OC(C)(C)C)C(C)(C)C)c1 ZINC001204714517 1033040961 /nfs/dbraw/zinc/04/09/61/1033040961.db2.gz SPVZPAJBKDNQMR-UHFFFAOYSA-N 1 2 387.524 3.574 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)CCN(C(=O)OC(C)(C)C)C(C)(C)C)c1 ZINC001204714517 1033040978 /nfs/dbraw/zinc/04/09/78/1033040978.db2.gz SPVZPAJBKDNQMR-UHFFFAOYSA-N 1 2 387.524 3.574 20 30 GHEDLO Cc1nc(NCc2cccc(C(=O)OCc3ccc(C#N)cc3F)c2)cc[nH+]1 ZINC000754952597 1022980527 /nfs/dbraw/zinc/98/05/27/1022980527.db2.gz MEBBQNOTVOAXEJ-UHFFFAOYSA-N 1 2 376.391 3.765 20 30 GHEDLO Cc1nc(NCc2cccc(C(=O)OCc3cc(F)ccc3C#N)c2)cc[nH+]1 ZINC000754953055 1022981539 /nfs/dbraw/zinc/98/15/39/1022981539.db2.gz STHFXRAGOPDHON-UHFFFAOYSA-N 1 2 376.391 3.765 20 30 GHEDLO CC(C)C[C@H](C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1)n1cc[nH+]c1 ZINC001156561958 1033103667 /nfs/dbraw/zinc/10/36/67/1033103667.db2.gz PDZPBODUBJMFLJ-WOJBJXKFSA-N 1 2 399.926 3.533 20 30 GHEDLO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1sc(N)c(C#N)c1Cl ZINC001141108803 1023521321 /nfs/dbraw/zinc/52/13/21/1023521321.db2.gz HKJXJFPAHQWVSG-LLVKDONJSA-N 1 2 384.933 3.687 20 30 GHEDLO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1sc(N)c(C#N)c1Cl ZINC001141108803 1023521326 /nfs/dbraw/zinc/52/13/26/1023521326.db2.gz HKJXJFPAHQWVSG-LLVKDONJSA-N 1 2 384.933 3.687 20 30 GHEDLO COC(=O)c1cccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)c1C#N ZINC000756543774 1023708078 /nfs/dbraw/zinc/70/80/78/1023708078.db2.gz NEPWFCOQZDZFON-OAQYLSRUSA-N 1 2 390.439 3.674 20 30 GHEDLO COC(=O)c1cccc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)c1C#N ZINC000756543774 1023708086 /nfs/dbraw/zinc/70/80/86/1023708086.db2.gz NEPWFCOQZDZFON-OAQYLSRUSA-N 1 2 390.439 3.674 20 30 GHEDLO N#Cc1cnn(-c2ccccc2Br)c1Nc1ccn2cc[nH+]c2c1 ZINC001204966440 1033185412 /nfs/dbraw/zinc/18/54/12/1033185412.db2.gz SDMGRVIDUPDAJW-UHFFFAOYSA-N 1 2 379.221 3.898 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1cccc(-c2ccc(F)cc2)n1 ZINC001141206563 1024129412 /nfs/dbraw/zinc/12/94/12/1024129412.db2.gz NWSPYCURKLLEKD-QFIPXVFZSA-N 1 2 392.478 3.923 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1cccc(-c2ccc(F)cc2)n1 ZINC001141206563 1024129428 /nfs/dbraw/zinc/12/94/28/1024129428.db2.gz NWSPYCURKLLEKD-QFIPXVFZSA-N 1 2 392.478 3.923 20 30 GHEDLO CCCCCCCCCCC(=O)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000831626306 1024687945 /nfs/dbraw/zinc/68/79/45/1024687945.db2.gz VBDZIAQXMZZSLZ-UHFFFAOYSA-N 1 2 375.561 3.618 20 30 GHEDLO C=CCOC[C@@H]1C[N@@H+](Cc2ccc(OCC)cc2C)Cc2nnn(CC3CC3)c21 ZINC001138433645 1024836725 /nfs/dbraw/zinc/83/67/25/1024836725.db2.gz UKJRGKPXYDLIBY-FQEVSTJZSA-N 1 2 396.535 3.697 20 30 GHEDLO C=CCOC[C@@H]1C[N@H+](Cc2ccc(OCC)cc2C)Cc2nnn(CC3CC3)c21 ZINC001138433645 1024836742 /nfs/dbraw/zinc/83/67/42/1024836742.db2.gz UKJRGKPXYDLIBY-FQEVSTJZSA-N 1 2 396.535 3.697 20 30 GHEDLO C=C(C)COc1ccccc1C[N@@H+]1C[C@@H](C(=O)OCC)Cn2nccc2[C@@H]1C ZINC001138666506 1025188242 /nfs/dbraw/zinc/18/82/42/1025188242.db2.gz VQTLJQVFHNKCQF-PKOBYXMFSA-N 1 2 383.492 3.594 20 30 GHEDLO C=C(C)COc1ccccc1C[N@H+]1C[C@@H](C(=O)OCC)Cn2nccc2[C@@H]1C ZINC001138666506 1025188249 /nfs/dbraw/zinc/18/82/49/1025188249.db2.gz VQTLJQVFHNKCQF-PKOBYXMFSA-N 1 2 383.492 3.594 20 30 GHEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3cc(Cl)cc(OC)c3OC)C2)CC1 ZINC001138742180 1025279975 /nfs/dbraw/zinc/27/99/75/1025279975.db2.gz KCDCJSPWRTUTGE-UHFFFAOYSA-N 1 2 394.899 3.578 20 30 GHEDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001139132119 1025944413 /nfs/dbraw/zinc/94/44/13/1025944413.db2.gz UAFFDHHFBOCUAE-GOSISDBHSA-N 1 2 390.439 3.722 20 30 GHEDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001139132119 1025944418 /nfs/dbraw/zinc/94/44/18/1025944418.db2.gz UAFFDHHFBOCUAE-GOSISDBHSA-N 1 2 390.439 3.722 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1ccc3nsnc3c1)CC2 ZINC001139212723 1026064493 /nfs/dbraw/zinc/06/44/93/1026064493.db2.gz XUXBKLYXZZANJG-UHFFFAOYSA-N 1 2 395.532 3.559 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1ccc3nsnc3c1)CC2 ZINC001139212723 1026064507 /nfs/dbraw/zinc/06/45/07/1026064507.db2.gz XUXBKLYXZZANJG-UHFFFAOYSA-N 1 2 395.532 3.559 20 30 GHEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3[nH]c(-c4ccccc4)nc3Cl)CC2)nc1 ZINC001139280685 1026131142 /nfs/dbraw/zinc/13/11/42/1026131142.db2.gz AGHQHLYXDIBPDJ-UHFFFAOYSA-N 1 2 392.894 3.709 20 30 GHEDLO N#Cc1ccc(N2CCC[N@H+](Cc3[nH]c(-c4ccccc4)nc3Cl)CC2)nc1 ZINC001139280685 1026131164 /nfs/dbraw/zinc/13/11/64/1026131164.db2.gz AGHQHLYXDIBPDJ-UHFFFAOYSA-N 1 2 392.894 3.709 20 30 GHEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1ccc(Br)c(F)c1F)CC2 ZINC001141745645 1026406746 /nfs/dbraw/zinc/40/67/46/1026406746.db2.gz TURHHBUJUDKZCK-UHFFFAOYSA-N 1 2 399.279 3.870 20 30 GHEDLO N#Cc1cccc2c(C[NH+]3CCN(C(=O)c4ccccc4Cl)CC3)c[nH]c21 ZINC001139703559 1026548656 /nfs/dbraw/zinc/54/86/56/1026548656.db2.gz QPOVRRBEPQGLSS-UHFFFAOYSA-N 1 2 378.863 3.651 20 30 GHEDLO C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc[nH+]c1N ZINC001164612353 1026567655 /nfs/dbraw/zinc/56/76/55/1026567655.db2.gz ZWJPYOUSVYCVIM-UHFFFAOYSA-N 1 2 387.896 3.966 20 30 GHEDLO C=CCN1C(=O)CC[C@]12CCCN(c1[nH+]cc(C)cc1/C=C/C(=O)OC)[C@H]2CC ZINC001165595996 1026770878 /nfs/dbraw/zinc/77/08/78/1026770878.db2.gz BZWQVIXNAXLNSC-BVVUSLJFSA-N 1 2 397.519 3.502 20 30 GHEDLO C=CCn1c(-c2cccs2)nn(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1=S ZINC000840119353 1027236819 /nfs/dbraw/zinc/23/68/19/1027236819.db2.gz HGUWTPSVHLNFDD-ARFHVFGLSA-N 1 2 390.578 3.911 20 30 GHEDLO C=CCn1c(-c2cccs2)nn(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1=S ZINC000840119353 1027236839 /nfs/dbraw/zinc/23/68/39/1027236839.db2.gz HGUWTPSVHLNFDD-ARFHVFGLSA-N 1 2 390.578 3.911 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(C)nc1Br ZINC001276407401 1027237657 /nfs/dbraw/zinc/23/76/57/1027237657.db2.gz UCAYXXBVOZUWJJ-IBGZPJMESA-N 1 2 392.341 3.686 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(C)nc1Br ZINC001276407401 1027237677 /nfs/dbraw/zinc/23/76/77/1027237677.db2.gz UCAYXXBVOZUWJJ-IBGZPJMESA-N 1 2 392.341 3.686 20 30 GHEDLO N#Cc1cc(Br)ccc1CN1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC001141807555 1027336402 /nfs/dbraw/zinc/33/64/02/1027336402.db2.gz ODAQBVMXASUXKH-UHFFFAOYSA-N 1 2 388.284 3.778 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[NH+](Cc2ccccc2Nc2cccnc2C#N)CC1 ZINC001210149848 1027361084 /nfs/dbraw/zinc/36/10/84/1027361084.db2.gz HLSVDBZOVIFZKV-UHFFFAOYSA-N 1 2 393.491 3.750 20 30 GHEDLO Cc1cc(C#N)cc(Nc2cncnc2[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC001210387957 1027483883 /nfs/dbraw/zinc/48/38/83/1027483883.db2.gz YNEPTIJHIZPECD-JOCHJYFZSA-N 1 2 385.471 3.974 20 30 GHEDLO Cc1cc(C#N)cc(Nc2cncnc2[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC001210387957 1027483907 /nfs/dbraw/zinc/48/39/07/1027483907.db2.gz YNEPTIJHIZPECD-JOCHJYFZSA-N 1 2 385.471 3.974 20 30 GHEDLO N#Cc1cccc(CN2CCO[C@@H](c3[nH+]cn4c3cccc4Br)C2)c1 ZINC001203757576 1027579494 /nfs/dbraw/zinc/57/94/94/1027579494.db2.gz OUEIKOGBUFWCOG-QGZVFWFLSA-N 1 2 397.276 3.542 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(Nc3ccc(C#N)c(F)c3)c[nH+]2)C1 ZINC001204058967 1027845267 /nfs/dbraw/zinc/84/52/67/1027845267.db2.gz CZKFDXNIGCASGL-QGZVFWFLSA-N 1 2 397.454 3.939 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1ccc(O)c(OCC)c1)CC2 ZINC001204126867 1027900246 /nfs/dbraw/zinc/90/02/46/1027900246.db2.gz AYNIUPLVYOOTQS-UHFFFAOYSA-N 1 2 397.519 3.658 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1ccc(O)c(OCC)c1)CC2 ZINC001204126867 1027900251 /nfs/dbraw/zinc/90/02/51/1027900251.db2.gz AYNIUPLVYOOTQS-UHFFFAOYSA-N 1 2 397.519 3.658 20 30 GHEDLO COC1(C(F)(F)F)CC[NH+](CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)CC1 ZINC000842160228 1029118094 /nfs/dbraw/zinc/11/80/94/1029118094.db2.gz FHPHYRHPVFMHNS-QGOAFFKASA-N 1 2 396.453 3.910 20 30 GHEDLO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3c(F)ccc(C#N)c3F)C[C@@H]12 ZINC001143171352 1029881980 /nfs/dbraw/zinc/88/19/80/1029881980.db2.gz XIZNQGWBJRAWPK-FYYLOGMGSA-N 1 2 395.453 3.601 20 30 GHEDLO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@@H+](Cc3c(F)ccc(C#N)c3F)C[C@@H]12 ZINC001143171352 1029881986 /nfs/dbraw/zinc/88/19/86/1029881986.db2.gz XIZNQGWBJRAWPK-FYYLOGMGSA-N 1 2 395.453 3.601 20 30 GHEDLO N#Cc1cccc(CCC(=O)Nc2ccc(O[C@H]3CC[NH2+]CC3(F)F)cc2)c1 ZINC001219456306 1031428019 /nfs/dbraw/zinc/42/80/19/1031428019.db2.gz LZDLXPMGEANFRU-IBGZPJMESA-N 1 2 385.414 3.506 20 30 GHEDLO O=C1c2ccc(O)cc2O/C1=C\c1ccc(O)c(OC2CC[NH+](CCF)CC2)c1 ZINC001229207329 1033342278 /nfs/dbraw/zinc/34/22/78/1033342278.db2.gz FIQIGOGAKFYFNN-MTJSOVHGSA-N 1 2 399.418 3.527 20 30 GHEDLO N#Cc1cc(NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)ccc1Br ZINC001157061014 1033394431 /nfs/dbraw/zinc/39/44/31/1033394431.db2.gz VNDGBDQCMJNWKQ-UHFFFAOYSA-N 1 2 381.233 3.688 20 30 GHEDLO COC[C@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)Cc2cn(CC3CCCC3)nc21 ZINC001205467118 1033425783 /nfs/dbraw/zinc/42/57/83/1033425783.db2.gz JIFCSUXJVYFYOH-HXUWFJFHSA-N 1 2 382.483 3.830 20 30 GHEDLO COC[C@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)Cc2cn(CC3CCCC3)nc21 ZINC001205467118 1033425791 /nfs/dbraw/zinc/42/57/91/1033425791.db2.gz JIFCSUXJVYFYOH-HXUWFJFHSA-N 1 2 382.483 3.830 20 30 GHEDLO CCOC(=O)[C@H]1CC[C@@H](Oc2nc(C)c(-c3ccc4[nH+]ccn4c3)cc2C#N)C1 ZINC001229769053 1033700253 /nfs/dbraw/zinc/70/02/53/1033700253.db2.gz PZRXDNMAWXQEOR-MAUKXSAKSA-N 1 2 390.443 3.687 20 30 GHEDLO Cn1cc(C[N@@H+]2Cc3ccccc3[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)cc1C#N ZINC001207103504 1034093136 /nfs/dbraw/zinc/09/31/36/1034093136.db2.gz VYXWOMSCSWURHT-SFTDATJTSA-N 1 2 392.503 3.615 20 30 GHEDLO Cn1cc(C[N@H+]2Cc3ccccc3[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)cc1C#N ZINC001207103504 1034093150 /nfs/dbraw/zinc/09/31/50/1034093150.db2.gz VYXWOMSCSWURHT-SFTDATJTSA-N 1 2 392.503 3.615 20 30 GHEDLO N#Cc1nc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)ccc1Cl ZINC001158546855 1034143514 /nfs/dbraw/zinc/14/35/14/1034143514.db2.gz QCXMOOANEQRBPV-INIZCTEOSA-N 1 2 380.801 3.860 20 30 GHEDLO N#Cc1nc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)ccc1Cl ZINC001158546855 1034143521 /nfs/dbraw/zinc/14/35/21/1034143521.db2.gz QCXMOOANEQRBPV-INIZCTEOSA-N 1 2 380.801 3.860 20 30 GHEDLO N#Cc1cnc(N2CC[NH+](CCCC(=O)c3ccc(F)cc3)CC2)c(Cl)c1 ZINC001158809168 1034281559 /nfs/dbraw/zinc/28/15/59/1034281559.db2.gz QKPHGYDSKFMXOH-UHFFFAOYSA-N 1 2 386.858 3.531 20 30 GHEDLO CCCCCCC/C=C/C[N@@H+]1CCn2cc(CNC(=O)c3cccn3C)nc2C1 ZINC001208118636 1034745086 /nfs/dbraw/zinc/74/50/86/1034745086.db2.gz MLCFMFVRCFBTIP-MDZDMXLPSA-N 1 2 397.567 3.884 20 30 GHEDLO CCCCCCC/C=C/C[N@H+]1CCn2cc(CNC(=O)c3cccn3C)nc2C1 ZINC001208118636 1034745114 /nfs/dbraw/zinc/74/51/14/1034745114.db2.gz MLCFMFVRCFBTIP-MDZDMXLPSA-N 1 2 397.567 3.884 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(Br)cn3)CC2)cc1Cl ZINC001232111437 1035100491 /nfs/dbraw/zinc/10/04/91/1035100491.db2.gz GWZLBTMNOHOUKR-UHFFFAOYSA-N 1 2 391.700 3.691 20 30 GHEDLO CCOC(=O)C[NH+]1CCC(Nc2c(C#N)c(Cl)nc3cccc(C)c32)CC1 ZINC001161087805 1035137446 /nfs/dbraw/zinc/13/74/46/1035137446.db2.gz SPXIJVMOESBGHF-UHFFFAOYSA-N 1 2 386.883 3.508 20 30 GHEDLO COc1cc(NCc2c[nH+]cn2Cc2ccccc2Br)ncc1C#N ZINC001161517232 1035247339 /nfs/dbraw/zinc/24/73/39/1035247339.db2.gz BZHCJNGODCMVAY-UHFFFAOYSA-N 1 2 398.264 3.581 20 30 GHEDLO N#Cc1ccc(F)c(-c2noc([C@@H]3[NH2+]CCc4cc(Br)ccc43)n2)c1 ZINC001248631538 1036011014 /nfs/dbraw/zinc/01/10/14/1036011014.db2.gz XJHLJKYKTOXGLQ-MRXNPFEDSA-N 1 2 399.223 3.745 20 30 GHEDLO C/C(=N\[S@](=O)C(C)(C)C)c1ccc(-c2cncc(C[NH+]3CCOCC3)c2)cc1 ZINC001245249625 1036836122 /nfs/dbraw/zinc/83/61/22/1036836122.db2.gz FMQCONXRGKNPME-AZUOUTSGSA-N 1 2 399.560 3.852 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(-n4cccn4)cc3Cl)CC2)c(F)c1 ZINC001232595700 1038369829 /nfs/dbraw/zinc/36/98/29/1038369829.db2.gz HUUVNVVQVDNXKX-UHFFFAOYSA-N 1 2 395.869 3.859 20 30 GHEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC2(C[C@H](c3ccccc3)C(=O)N2)CC1 ZINC001232606831 1038390256 /nfs/dbraw/zinc/39/02/56/1038390256.db2.gz CATVANNHDJMWML-HXUWFJFHSA-N 1 2 379.891 3.850 20 30 GHEDLO CCN1CCn2c(C)cnc2C12CC[NH+](Cc1ccc(Cl)cc1C#N)CC2 ZINC001232607845 1038392967 /nfs/dbraw/zinc/39/29/67/1038392967.db2.gz PNMSKXPJWQWMBK-UHFFFAOYSA-N 1 2 383.927 3.543 20 30 GHEDLO CCOC[C@H]1C[N@H+](Cc2cc(C#N)ccc2O)Cc2cn(CC3CCCC3)nc21 ZINC001232677488 1038476331 /nfs/dbraw/zinc/47/63/31/1038476331.db2.gz MBIRBHDWRAFRDS-OAQYLSRUSA-N 1 2 394.519 3.786 20 30 GHEDLO CCOC[C@H]1C[N@@H+](Cc2cc(C#N)ccc2O)Cc2cn(CC3CCCC3)nc21 ZINC001232677488 1038476332 /nfs/dbraw/zinc/47/63/32/1038476332.db2.gz MBIRBHDWRAFRDS-OAQYLSRUSA-N 1 2 394.519 3.786 20 30 GHEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2OCCC[C@]2(COc2ncccc2F)C1 ZINC001232890489 1038675316 /nfs/dbraw/zinc/67/53/16/1038675316.db2.gz GETUQFPEEWSRHQ-RBBKRZOGSA-N 1 2 399.441 3.682 20 30 GHEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2OCCC[C@]2(COc2ncccc2F)C1 ZINC001232890489 1038675320 /nfs/dbraw/zinc/67/53/20/1038675320.db2.gz GETUQFPEEWSRHQ-RBBKRZOGSA-N 1 2 399.441 3.682 20 30 GHEDLO CC(C)(C)OC(=O)NC1CC[NH+](Cc2ccc(Br)c(C#N)c2)CC1 ZINC001232892288 1038682973 /nfs/dbraw/zinc/68/29/73/1038682973.db2.gz GOVTVVWBMHYKAB-UHFFFAOYSA-N 1 2 394.313 3.810 20 30 GHEDLO CC(C)(C)OC(=O)C1CC[NH+](Cc2ccc(Br)c(C#N)c2)CC1 ZINC001232895850 1038691815 /nfs/dbraw/zinc/69/18/15/1038691815.db2.gz VKDNEMJRJXPTEE-UHFFFAOYSA-N 1 2 379.298 3.874 20 30 GHEDLO CN(C)c1ccc(C[N@H+](C)Cc2cncc(Br)c2)c(F)c1C#N ZINC001233099100 1038874492 /nfs/dbraw/zinc/87/44/92/1038874492.db2.gz PEKOBRWQJHGCHY-UHFFFAOYSA-N 1 2 377.261 3.553 20 30 GHEDLO CN(C)c1ccc(C[N@@H+](C)Cc2cncc(Br)c2)c(F)c1C#N ZINC001233099100 1038874515 /nfs/dbraw/zinc/87/45/15/1038874515.db2.gz PEKOBRWQJHGCHY-UHFFFAOYSA-N 1 2 377.261 3.553 20 30 GHEDLO C=C[C@@](C)(O)C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(Cl)cc1 ZINC001252554509 1039032239 /nfs/dbraw/zinc/03/22/39/1039032239.db2.gz HYNXGPIBMZIBRJ-YLJYHZDGSA-N 1 2 380.916 3.871 20 30 GHEDLO C=C[C@@](C)(O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(Cl)cc1 ZINC001252554509 1039032260 /nfs/dbraw/zinc/03/22/60/1039032260.db2.gz HYNXGPIBMZIBRJ-YLJYHZDGSA-N 1 2 380.916 3.871 20 30 GHEDLO CC(C)(C)OC(=O)N1CCc2nc(C[N@@H+]3CCC[C@@H](C#N)CC3)sc2C1 ZINC001233940650 1039717113 /nfs/dbraw/zinc/71/71/13/1039717113.db2.gz AKKWYRKASQDWMW-CQSZACIVSA-N 1 2 376.526 3.562 20 30 GHEDLO CC(C)(C)OC(=O)N1CCc2nc(C[N@H+]3CCC[C@@H](C#N)CC3)sc2C1 ZINC001233940650 1039717134 /nfs/dbraw/zinc/71/71/34/1039717134.db2.gz AKKWYRKASQDWMW-CQSZACIVSA-N 1 2 376.526 3.562 20 30 GHEDLO COC(=O)Cc1ccc(O[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)c(Cl)c1 ZINC001233960538 1039728348 /nfs/dbraw/zinc/72/83/48/1039728348.db2.gz GJNSGCIMUPCKII-SFHVURJKSA-N 1 2 384.863 3.580 20 30 GHEDLO COC(=O)Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c(Cl)c1 ZINC001233960538 1039728364 /nfs/dbraw/zinc/72/83/64/1039728364.db2.gz GJNSGCIMUPCKII-SFHVURJKSA-N 1 2 384.863 3.580 20 30 GHEDLO COC(=O)[C@H](Cc1cccc(O)c1)[NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254348541 1040181526 /nfs/dbraw/zinc/18/15/26/1040181526.db2.gz QYZSYAWLYPWMOO-SWCONJRYSA-N 1 2 396.462 3.609 20 30 GHEDLO C=CCOC(=O)CC[C@H]([NH2+][C@@H](CCC)CCc1ccccc1)C(=O)OCC=C ZINC001254488799 1040274584 /nfs/dbraw/zinc/27/45/84/1040274584.db2.gz XIINCFOXGUZAJC-SFTDATJTSA-N 1 2 387.520 3.985 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC2(CC[C@H]([N@@H+]3CC[C@H]4SC(=O)C=C4C3)C2)CC1 ZINC001254748216 1040507769 /nfs/dbraw/zinc/50/77/69/1040507769.db2.gz HKVOMROKUGPSJD-DLBZAZTESA-N 1 2 392.565 3.830 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC2(CC[C@H]([N@H+]3CC[C@H]4SC(=O)C=C4C3)C2)CC1 ZINC001254748216 1040507784 /nfs/dbraw/zinc/50/77/84/1040507784.db2.gz HKVOMROKUGPSJD-DLBZAZTESA-N 1 2 392.565 3.830 20 30 GHEDLO C=CCOC(=O)[C@@H](Cc1ccc(OC(C)(C)C)cc1)[NH2+]C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001254943061 1040682080 /nfs/dbraw/zinc/68/20/80/1040682080.db2.gz KQPWIXGGFNGLOE-NPPFBWRTSA-N 1 2 399.531 3.852 20 30 GHEDLO CC(C)(C)CC(=O)NC1CC[NH+](Cc2ccc(C#N)c(Br)c2)CC1 ZINC001236866432 1041934437 /nfs/dbraw/zinc/93/44/37/1041934437.db2.gz PCTSUXLOUFVPAY-UHFFFAOYSA-N 1 2 392.341 3.838 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@@]12CCC[N@H+](Cc1cc(C#N)c(F)cc1F)C2 ZINC001237525812 1042250822 /nfs/dbraw/zinc/25/08/22/1042250822.db2.gz VXIHCIYXQXCEMP-HXUWFJFHSA-N 1 2 377.435 3.812 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@@]12CCC[N@@H+](Cc1cc(C#N)c(F)cc1F)C2 ZINC001237525812 1042250825 /nfs/dbraw/zinc/25/08/25/1042250825.db2.gz VXIHCIYXQXCEMP-HXUWFJFHSA-N 1 2 377.435 3.812 20 30 GHEDLO COCCOc1cccc(N2CC[NH+](Cc3cc(Cl)cc(C#N)c3)CC2)c1 ZINC001237752057 1042354202 /nfs/dbraw/zinc/35/42/02/1042354202.db2.gz BUNZGHCQKCQPCP-UHFFFAOYSA-N 1 2 385.895 3.559 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](Cc3csc(-c4ccc(O)cc4)n3)CC2)cc1 ZINC001237980910 1042443537 /nfs/dbraw/zinc/44/35/37/1042443537.db2.gz OTNLSSMDUKGEII-UHFFFAOYSA-N 1 2 376.485 3.710 20 30 GHEDLO N#Cc1nccnc1N1CC[NH+](Cc2cccc(OCC3CCCCC3)c2)CC1 ZINC001238069932 1042481209 /nfs/dbraw/zinc/48/12/09/1042481209.db2.gz MJMPIRAOGYJNJZ-UHFFFAOYSA-N 1 2 391.519 3.630 20 30 GHEDLO O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@H]1C[NH2+]CC(F)(F)C1 ZINC001239227413 1042790186 /nfs/dbraw/zinc/79/01/86/1042790186.db2.gz OHRBFCIEBOGLAR-SNVBAGLBSA-N 1 2 391.262 3.843 20 30 GHEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(C)[C@@H](C)c1sc(CC)nc1C ZINC001263288519 1046683752 /nfs/dbraw/zinc/68/37/52/1046683752.db2.gz VBMGIRYWOPHFKT-HNNXBMFYSA-N 1 2 399.568 3.703 20 30 GHEDLO CC1=CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNc2cccc[nH+]2)C1 ZINC001304586683 1047721637 /nfs/dbraw/zinc/72/16/37/1047721637.db2.gz KEBMPHHABMQIDW-UHFFFAOYSA-N 1 2 399.502 3.870 20 30 GHEDLO CC[C@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001305378706 1048003063 /nfs/dbraw/zinc/00/30/63/1048003063.db2.gz WNLMKFZANZBHMT-ROUUACIJSA-N 1 2 395.555 3.821 20 30 GHEDLO C#C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1Cc1c[nH+]ccc1OC ZINC001286274388 1048247012 /nfs/dbraw/zinc/24/70/12/1048247012.db2.gz MEGGPFRPWDVDDR-AWEZNQCLSA-N 1 2 381.867 3.508 20 30 GHEDLO C#CCN(CC)c1nnc(Cc2ccccc2C)n1CCCNc1cccc[nH+]1 ZINC001286446830 1048327508 /nfs/dbraw/zinc/32/75/08/1048327508.db2.gz JJRAGVLHNDAAQD-UHFFFAOYSA-N 1 2 388.519 3.534 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2CCc2csc3ccccc23)CC1 ZINC001286470978 1048336146 /nfs/dbraw/zinc/33/61/46/1048336146.db2.gz FEOZBWSYIIMANZ-UHFFFAOYSA-N 1 2 393.560 3.614 20 30 GHEDLO CC(C)(C)OC(=O)C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001307900440 1049678226 /nfs/dbraw/zinc/67/82/26/1049678226.db2.gz HNQIEESVVSPSDV-MRXNPFEDSA-N 1 2 391.899 3.736 20 30 GHEDLO CC(C)(C)OC(=O)C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001307900440 1049678235 /nfs/dbraw/zinc/67/82/35/1049678235.db2.gz HNQIEESVVSPSDV-MRXNPFEDSA-N 1 2 391.899 3.736 20 30 GHEDLO N#Cc1cc(Cl)c(C(=O)N2CC[NH+](Cc3cccs3)CC2)c(Cl)c1 ZINC001290225825 1049768659 /nfs/dbraw/zinc/76/86/59/1049768659.db2.gz IBNFCFPFDJVRGN-UHFFFAOYSA-N 1 2 380.300 3.885 20 30 GHEDLO N#Cc1ccc(C[NH2+]Cc2c(Br)cncc2Br)s1 ZINC001308440239 1049977072 /nfs/dbraw/zinc/97/70/72/1049977072.db2.gz HVLCHEJCCPKEPM-UHFFFAOYSA-N 1 2 387.100 3.830 20 30 GHEDLO CN(C)c1ccc(C#N)cc1C[N@@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC001308585889 1050020917 /nfs/dbraw/zinc/02/09/17/1050020917.db2.gz VSHZUFQAYJLXHX-HXUWFJFHSA-N 1 2 387.430 3.799 20 30 GHEDLO CN(C)c1ccc(C#N)cc1C[N@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC001308585889 1050020921 /nfs/dbraw/zinc/02/09/21/1050020921.db2.gz VSHZUFQAYJLXHX-HXUWFJFHSA-N 1 2 387.430 3.799 20 30 GHEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCC(c2ncc(C)s2)CC1 ZINC001342533804 1053224442 /nfs/dbraw/zinc/22/44/42/1053224442.db2.gz ZXMRGPBPLCUMHY-UHFFFAOYSA-N 1 2 386.569 3.599 20 30 GHEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCCC(F)(F)CC1 ZINC001342671523 1053290906 /nfs/dbraw/zinc/29/09/06/1053290906.db2.gz CMLLPMUDRLYITN-UHFFFAOYSA-N 1 2 392.498 3.573 20 30 GHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(C(C)(C)CC#N)n1CC ZINC001342787695 1053354822 /nfs/dbraw/zinc/35/48/22/1053354822.db2.gz FRXYSFGLXVNPJY-UHFFFAOYSA-N 1 2 395.555 3.627 20 30 GHEDLO C=CC1CCN(c2nnc([C@H](C)[N@H+](C)Cc3ccccc3)n2CCOC)CC1 ZINC001343106730 1053556093 /nfs/dbraw/zinc/55/60/93/1053556093.db2.gz YTEHFUNRGGNVFK-SFHVURJKSA-N 1 2 383.540 3.520 20 30 GHEDLO C=CC1CCN(c2nnc([C@H](C)[N@@H+](C)Cc3ccccc3)n2CCOC)CC1 ZINC001343106730 1053556104 /nfs/dbraw/zinc/55/61/04/1053556104.db2.gz YTEHFUNRGGNVFK-SFHVURJKSA-N 1 2 383.540 3.520 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC(C#N)CC1 ZINC001343457558 1053783491 /nfs/dbraw/zinc/78/34/91/1053783491.db2.gz OYDVNXPVOWBWAY-SFHVURJKSA-N 1 2 378.524 3.787 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC(C#N)CC1 ZINC001343457558 1053783494 /nfs/dbraw/zinc/78/34/94/1053783494.db2.gz OYDVNXPVOWBWAY-SFHVURJKSA-N 1 2 378.524 3.787 20 30 GHEDLO C=C(C)Cn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC(C#N)CC1 ZINC001343457555 1053783577 /nfs/dbraw/zinc/78/35/77/1053783577.db2.gz OYDVNXPVOWBWAY-GOSISDBHSA-N 1 2 378.524 3.787 20 30 GHEDLO C=C(C)Cn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC(C#N)CC1 ZINC001343457555 1053783585 /nfs/dbraw/zinc/78/35/85/1053783585.db2.gz OYDVNXPVOWBWAY-GOSISDBHSA-N 1 2 378.524 3.787 20 30 GHEDLO C=C1CCN(c2nnc([C@H](C)[N@H+](C)Cc3ccccc3)n2C[C@@H]2CCCO2)CC1 ZINC001343833602 1054056628 /nfs/dbraw/zinc/05/66/28/1054056628.db2.gz IHOFQZBIOIXQGR-FPOVZHCZSA-N 1 2 395.551 3.807 20 30 GHEDLO C=C1CCN(c2nnc([C@H](C)[N@@H+](C)Cc3ccccc3)n2C[C@@H]2CCCO2)CC1 ZINC001343833602 1054056638 /nfs/dbraw/zinc/05/66/38/1054056638.db2.gz IHOFQZBIOIXQGR-FPOVZHCZSA-N 1 2 395.551 3.807 20 30 GHEDLO CC(C)C[C@H](c1nnc(N2CCC[C@@H](CC#N)C2)n1CC(C)C)n1cc[nH+]c1 ZINC001344457845 1054487946 /nfs/dbraw/zinc/48/79/46/1054487946.db2.gz YIYBWEDGIGDDJC-RBUKOAKNSA-N 1 2 383.544 3.896 20 30 GHEDLO CC(C)Oc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccncc2)cc1C#N ZINC001319324109 1055182625 /nfs/dbraw/zinc/18/26/25/1055182625.db2.gz GLGSXFXSNNOUGQ-HXUWFJFHSA-N 1 2 378.476 3.734 20 30 GHEDLO CC(C)Oc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccncc2)cc1C#N ZINC001319324109 1055182631 /nfs/dbraw/zinc/18/26/31/1055182631.db2.gz GLGSXFXSNNOUGQ-HXUWFJFHSA-N 1 2 378.476 3.734 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccsc3)n2C2CC(C(C)(C)C)C2)CC1 ZINC001300703580 1056918572 /nfs/dbraw/zinc/91/85/72/1056918572.db2.gz LPPQZGHPJULAIY-UHFFFAOYSA-N 1 2 397.592 3.683 20 30 GHEDLO Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C=NNCCCn1cc[nH+]c1 ZINC000848419462 1057077345 /nfs/dbraw/zinc/07/73/45/1057077345.db2.gz VGAKKYGKMKBXRH-UHFFFAOYSA-N 1 2 391.306 3.757 20 30 GHEDLO C#CCCOc1ccc(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)cc1 ZINC001324472173 1057142622 /nfs/dbraw/zinc/14/26/22/1057142622.db2.gz VYMJDBHLBWSCBF-UHFFFAOYSA-N 1 2 391.515 3.554 20 30 GHEDLO C[N@H+](CC(F)F)C1CCN(c2cc(Br)c(C#N)cc2F)CC1 ZINC000848667075 1057231189 /nfs/dbraw/zinc/23/11/89/1057231189.db2.gz GOHXCABDXVXSRQ-UHFFFAOYSA-N 1 2 376.220 3.626 20 30 GHEDLO C[N@@H+](CC(F)F)C1CCN(c2cc(Br)c(C#N)cc2F)CC1 ZINC000848667075 1057231191 /nfs/dbraw/zinc/23/11/91/1057231191.db2.gz GOHXCABDXVXSRQ-UHFFFAOYSA-N 1 2 376.220 3.626 20 30 GHEDLO N#CCOc1cccc(C[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)c1 ZINC001324924877 1057248811 /nfs/dbraw/zinc/24/88/11/1057248811.db2.gz ZUAYWODIYQMAAA-UHFFFAOYSA-N 1 2 388.258 3.766 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC2(C[C@@H]1C)CCOCC2 ZINC001356094235 1057387141 /nfs/dbraw/zinc/38/71/41/1057387141.db2.gz IDRSRGWMYKGUSY-RBUKOAKNSA-N 1 2 398.555 3.692 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N(C)C[C@@H]1CCCOC1 ZINC001356240014 1057443684 /nfs/dbraw/zinc/44/36/84/1057443684.db2.gz VGIVQVJSLJOWLJ-RBUKOAKNSA-N 1 2 386.544 3.549 20 30 GHEDLO C=C(C)c1cccc(NC(=O)C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)c1 ZINC001337943755 1058339764 /nfs/dbraw/zinc/33/97/64/1058339764.db2.gz XBJXPKUEFYIQEG-QGZVFWFLSA-N 1 2 393.487 3.690 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@@H](COCC)C1 ZINC001338995533 1058918108 /nfs/dbraw/zinc/91/81/08/1058918108.db2.gz QZUWVERGHNNAFP-AZUAARDMSA-N 1 2 383.540 3.520 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@@H](COCC)C1 ZINC001338995533 1058918111 /nfs/dbraw/zinc/91/81/11/1058918111.db2.gz QZUWVERGHNNAFP-AZUAARDMSA-N 1 2 383.540 3.520 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)Cc1cccc(C)c1 ZINC001338995707 1058918670 /nfs/dbraw/zinc/91/86/70/1058918670.db2.gz SDUYTEZLERAMGK-UHFFFAOYSA-N 1 2 378.524 3.502 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1C[C@@H](C)C[C@H]1c1ccccc1F ZINC001339091359 1058956156 /nfs/dbraw/zinc/95/61/56/1058956156.db2.gz SORJLILUKZNKQV-YJBOKZPZSA-N 1 2 380.471 3.515 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@H](C)[C@@H]1c1ccccc1 ZINC001339367671 1059147816 /nfs/dbraw/zinc/14/78/16/1059147816.db2.gz KZJBCSCEMAMKMO-GHTZIAJQSA-N 1 2 392.551 3.979 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1Cc2cccc(Cl)c2C1 ZINC001339502055 1059260009 /nfs/dbraw/zinc/26/00/09/1059260009.db2.gz UEXCERNBBTZXIU-UHFFFAOYSA-N 1 2 384.915 3.565 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@H]1c1cccs1 ZINC001340153053 1059729423 /nfs/dbraw/zinc/72/94/23/1059729423.db2.gz YAGQTQQZJZAEJN-KRWDZBQOSA-N 1 2 384.553 3.794 20 30 GHEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1Cc2ccccc2[C@@H]1CC ZINC001340195770 1059756456 /nfs/dbraw/zinc/75/64/56/1059756456.db2.gz OTGLXYZGSFZRBF-JBACZVJFSA-N 1 2 393.535 3.861 20 30 GHEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1Cc2ccccc2[C@@H]1CC ZINC001340195770 1059756480 /nfs/dbraw/zinc/75/64/80/1059756480.db2.gz OTGLXYZGSFZRBF-JBACZVJFSA-N 1 2 393.535 3.861 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001340926853 1060255615 /nfs/dbraw/zinc/25/56/15/1060255615.db2.gz CPPZNKPGCNHVCJ-HNNXBMFYSA-N 1 2 393.878 3.906 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001340926853 1060255629 /nfs/dbraw/zinc/25/56/29/1060255629.db2.gz CPPZNKPGCNHVCJ-HNNXBMFYSA-N 1 2 393.878 3.906 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N(C)Cc1nccs1 ZINC001341930344 1060956402 /nfs/dbraw/zinc/95/64/02/1060956402.db2.gz BTAQJBRVEURKAV-MRXNPFEDSA-N 1 2 385.541 3.779 20 30 GHEDLO C[C@@H]1CCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2Cc2cccs2)[C@H]1C ZINC001345970909 1061251923 /nfs/dbraw/zinc/25/19/23/1061251923.db2.gz WRWXBOXXSBYISZ-SJORKVTESA-N 1 2 398.580 3.716 20 30 GHEDLO N#CCC[NH+]1CCC(c2nnc(N3CCC[C@H]3C3CCC3)n2CC2CC2)CC1 ZINC001346601372 1061719086 /nfs/dbraw/zinc/71/90/86/1061719086.db2.gz DCIZTJSPKCXCBB-FQEVSTJZSA-N 1 2 382.556 3.550 20 30 GHEDLO N#CCC[NH+]1CCC(c2nnc(N3CCC[C@H]4CCC[C@H]43)n2CC2CC2)CC1 ZINC001346602819 1061722391 /nfs/dbraw/zinc/72/23/91/1061722391.db2.gz RDYLVIAEBHJSLE-UYAOXDASSA-N 1 2 382.556 3.550 20 30 GHEDLO C[C@@H](CCC#N)c1nnc(N2CCC(Nc3cccc[nH+]3)CC2)n1CC1CC1 ZINC001346899256 1061969436 /nfs/dbraw/zinc/96/94/36/1061969436.db2.gz DHDVIKYTZAUNNF-INIZCTEOSA-N 1 2 379.512 3.571 20 30 GHEDLO Cc1[nH]c(-c2ccc(NC(=O)CCc3c(C)[nH]c(=O)c(C#N)c3C)cc2)[nH+]c1C ZINC001455248807 1062071061 /nfs/dbraw/zinc/07/10/61/1062071061.db2.gz QHOUBKLBVUTQBS-UHFFFAOYSA-N 1 2 389.459 3.854 20 30 GHEDLO C[C@@H](NC(=O)c1cccc(C#N)c1Br)c1ccc(-n2cc[nH+]c2)cc1 ZINC001457714005 1063324822 /nfs/dbraw/zinc/32/48/22/1063324822.db2.gz WUYPAYJOFDOYAW-CYBMUJFWSA-N 1 2 395.260 3.997 20 30 GHEDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)CSc3cccnc3C#N)CC2)cc1 ZINC001459069133 1063991971 /nfs/dbraw/zinc/99/19/71/1063991971.db2.gz BSVAUNVSWKNADR-UHFFFAOYSA-N 1 2 394.544 3.513 20 30 GHEDLO COC(=O)c1cccc(CN2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)c1C#N ZINC001459558270 1064127290 /nfs/dbraw/zinc/12/72/90/1064127290.db2.gz HYUBUHFWZWKAMI-MRXNPFEDSA-N 1 2 397.906 3.877 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](CCOCC(F)(F)C(F)(F)F)CC2)c(Cl)c1 ZINC001460025622 1064355227 /nfs/dbraw/zinc/35/52/27/1064355227.db2.gz PYMPQNFINLCQLQ-UHFFFAOYSA-N 1 2 397.775 3.548 20 30 GHEDLO Cc1nc(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)sc1SCC#N ZINC001464753745 1065192709 /nfs/dbraw/zinc/19/27/09/1065192709.db2.gz WZTSJKKCJOKVTQ-AWEZNQCLSA-N 1 2 383.502 3.951 20 30 GHEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC001465610322 1065744561 /nfs/dbraw/zinc/74/45/61/1065744561.db2.gz WNLCPINCBFSMKA-SFHVURJKSA-N 1 2 394.475 3.583 20 30 GHEDLO C#C[C@@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1Cc1c[nH+]ccc1OC ZINC001358873540 1067590144 /nfs/dbraw/zinc/59/01/44/1067590144.db2.gz KUTINXGRYOWLPV-XLIONFOSSA-N 1 2 389.503 3.730 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2CC2CCCCC2)CC1 ZINC001359033870 1067659526 /nfs/dbraw/zinc/65/95/26/1067659526.db2.gz UODCJTGAZQQFNZ-UHFFFAOYSA-N 1 2 397.954 3.934 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2C[C@H]2CCCc3ccccc32)CC1 ZINC001359029452 1067659672 /nfs/dbraw/zinc/65/96/72/1067659672.db2.gz YFJRKLZEICSRKB-TZIWHRDSSA-N 1 2 391.563 3.667 20 30 GHEDLO C=CCN(CC=C)c1nnc(-c2ccc(C)o2)n1CCc1cn2ccccc2[nH+]1 ZINC001359268254 1067931474 /nfs/dbraw/zinc/93/14/74/1067931474.db2.gz JSFGFRBADNOKDU-UHFFFAOYSA-N 1 2 388.475 3.915 20 30 GHEDLO C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1CCc1cn2ccccc2[nH+]1 ZINC001359270946 1067937869 /nfs/dbraw/zinc/93/78/69/1067937869.db2.gz GTXKHPTZTMHAMD-LJQANCHMSA-N 1 2 392.507 3.589 20 30 GHEDLO C#CC[N@H+]1CCC[C@H](NC(=O)N2CCCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)C1 ZINC001471336367 1073024772 /nfs/dbraw/zinc/02/47/72/1073024772.db2.gz KVCWVXUILSOYCJ-LPHOPBHVSA-N 1 2 399.926 3.551 20 30 GHEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)C1 ZINC001471336367 1073024778 /nfs/dbraw/zinc/02/47/78/1073024778.db2.gz KVCWVXUILSOYCJ-LPHOPBHVSA-N 1 2 399.926 3.551 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](C[C@@H](O)c3ccc(Cl)cc3Cl)CC2)c(F)c1 ZINC001473141325 1073804579 /nfs/dbraw/zinc/80/45/79/1073804579.db2.gz OXUHKWRXJSYUBN-LJQANCHMSA-N 1 2 394.277 3.860 20 30 GHEDLO N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@H](n4cc[nH+]c4)C3)c2)nc1 ZINC001476200624 1075102867 /nfs/dbraw/zinc/10/28/67/1075102867.db2.gz VCEVPEAYSLMTCR-SFHVURJKSA-N 1 2 388.431 3.811 20 30 GHEDLO CC[C@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001495090915 1079382073 /nfs/dbraw/zinc/38/20/73/1079382073.db2.gz YBIAVKYSRNTFGC-ROUUACIJSA-N 1 2 395.555 3.821 20 30 GHEDLO CCCc1cc(C#N)c(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)nc1Cl ZINC001164918330 721816618 /nfs/dbraw/zinc/81/66/18/721816618.db2.gz OGQBBUYUHPFGHM-UHFFFAOYSA-N 1 2 398.942 3.505 20 30 GHEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000376500277 837674593 /nfs/dbraw/zinc/67/45/93/837674593.db2.gz GTJJJHAVHOBUAS-UHFFFAOYSA-N 1 2 396.292 3.743 20 30 GHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000177036738 837726109 /nfs/dbraw/zinc/72/61/09/837726109.db2.gz HJCPYCNQXFERGX-JOCHJYFZSA-N 1 2 389.455 3.992 20 30 GHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000177036738 837726114 /nfs/dbraw/zinc/72/61/14/837726114.db2.gz HJCPYCNQXFERGX-JOCHJYFZSA-N 1 2 389.455 3.992 20 30 GHEDLO N#CCCn1cc(C[NH2+]Cc2ncc(-c3ccccc3)cn2)c(-c2ccncc2)n1 ZINC000433324733 844016633 /nfs/dbraw/zinc/01/66/33/844016633.db2.gz CFDLHXGXXVHZTH-UHFFFAOYSA-N 1 2 395.470 3.606 20 30 GHEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2c(Cl)ccc3cccnc32)CC1 ZINC000052638199 835167766 /nfs/dbraw/zinc/16/77/66/835167766.db2.gz VZDOPRLFBCQMFM-UHFFFAOYSA-N 1 2 393.878 3.947 20 30 GHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H](C#N)CCc1ccccc1 ZINC000433380902 844075686 /nfs/dbraw/zinc/07/56/86/844075686.db2.gz GHBNIBGWZXNSAS-QFIPXVFZSA-N 1 2 390.531 3.919 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@](C)(C#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000612145647 835670493 /nfs/dbraw/zinc/67/04/93/835670493.db2.gz PWNGNNODJSVANH-SCTDSRPQSA-N 1 2 378.879 3.560 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)N2CCC[C@@](C)(C#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000612145647 835670498 /nfs/dbraw/zinc/67/04/98/835670498.db2.gz PWNGNNODJSVANH-SCTDSRPQSA-N 1 2 378.879 3.560 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)c(C#N)c1C ZINC000179632110 835902644 /nfs/dbraw/zinc/90/26/44/835902644.db2.gz JKZCYVVTWOEHNK-HZPDHXFCSA-N 1 2 398.482 3.613 20 30 GHEDLO C=CCC1(NC(=O)C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CCCC1 ZINC000658728459 835950696 /nfs/dbraw/zinc/95/06/96/835950696.db2.gz QYFFMFNKEYLELC-UHFFFAOYSA-N 1 2 390.487 3.545 20 30 GHEDLO Cc1ccc(C#N)cc1NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000179755412 835967804 /nfs/dbraw/zinc/96/78/04/835967804.db2.gz LSMYKBGKXROJOL-PMACEKPBSA-N 1 2 398.894 3.714 20 30 GHEDLO Cc1ccc(C#N)cc1NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000179755412 835967806 /nfs/dbraw/zinc/96/78/06/835967806.db2.gz LSMYKBGKXROJOL-PMACEKPBSA-N 1 2 398.894 3.714 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1cc(C)cc(OC(F)(F)F)c1 ZINC001143463102 836082432 /nfs/dbraw/zinc/08/24/32/836082432.db2.gz DBCAAUKRCWXFRU-GOSISDBHSA-N 1 2 395.425 3.929 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1cc(C)cc(OC(F)(F)F)c1 ZINC001143463102 836082435 /nfs/dbraw/zinc/08/24/35/836082435.db2.gz DBCAAUKRCWXFRU-GOSISDBHSA-N 1 2 395.425 3.929 20 30 GHEDLO COc1ccc(F)cc1C[NH+]1CCN(c2cc(C#N)nc3ccccc32)CC1 ZINC000610245571 836284794 /nfs/dbraw/zinc/28/47/94/836284794.db2.gz USPBUCRHDMHUSI-UHFFFAOYSA-N 1 2 376.435 3.576 20 30 GHEDLO O=C(Nc1ccccc1)C1CCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000328657572 836550699 /nfs/dbraw/zinc/55/06/99/836550699.db2.gz PHQZELAYFLZFFN-UHFFFAOYSA-N 1 2 395.507 3.676 20 30 GHEDLO N#Cc1cccc(COc2ccc(NC(=O)N3CCn4c[nH+]cc4C3)cc2F)c1 ZINC000582814626 836883476 /nfs/dbraw/zinc/88/34/76/836883476.db2.gz COJDYCLVAHXFQW-UHFFFAOYSA-N 1 2 391.406 3.521 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)c(C#N)c1C ZINC000175953470 837085180 /nfs/dbraw/zinc/08/51/80/837085180.db2.gz RPYMWUCKKNGITH-XLIONFOSSA-N 1 2 395.503 3.819 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](OCCCc3ccccc3)C2)c(C#N)c1C ZINC000175953470 837085192 /nfs/dbraw/zinc/08/51/92/837085192.db2.gz RPYMWUCKKNGITH-XLIONFOSSA-N 1 2 395.503 3.819 20 30 GHEDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3cccc(SCC#N)c3)CC2)cc1 ZINC000176004635 837123803 /nfs/dbraw/zinc/12/38/03/837123803.db2.gz OWSFGYGLENEOHV-UHFFFAOYSA-N 1 2 395.528 3.659 20 30 GHEDLO Cc1cccc([C@@H](CNc2c(C#N)cnc3c(C)cccc32)[NH+]2CCOCC2)c1 ZINC000610273222 837331014 /nfs/dbraw/zinc/33/10/14/837331014.db2.gz AYPPZEMTCMEUJH-JOCHJYFZSA-N 1 2 386.499 3.631 20 30 GHEDLO Cc1cccc(O[C@H](C)C(=O)N2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000584522600 838726704 /nfs/dbraw/zinc/72/67/04/838726704.db2.gz RDTGMQAYYZYMOG-RBUKOAKNSA-N 1 2 377.488 3.539 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(Cc3coc(-c4ccc(F)cc4)n3)CC2)cc1 ZINC000024430264 839065811 /nfs/dbraw/zinc/06/58/11/839065811.db2.gz LLRYDYAWDVQSPI-UHFFFAOYSA-N 1 2 376.435 3.670 20 30 GHEDLO Cc1cc(C#N)ccc1C[NH+]1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000614396014 844411683 /nfs/dbraw/zinc/41/16/83/844411683.db2.gz OJNQTLJPBLRBGN-UHFFFAOYSA-N 1 2 377.532 3.727 20 30 GHEDLO Cc1cccn2cc(CCNC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)[nH+]c12 ZINC000610435018 839361900 /nfs/dbraw/zinc/36/19/00/839361900.db2.gz VIMLOCMIAOZFAR-UHFFFAOYSA-N 1 2 397.438 3.674 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C[C@H](C)O1 ZINC000580628552 839920188 /nfs/dbraw/zinc/92/01/88/839920188.db2.gz DRVHRZIBMMTKJN-DEVSCXNHSA-N 1 2 389.499 3.910 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C[C@H](C)O1 ZINC000580628552 839920203 /nfs/dbraw/zinc/92/02/03/839920203.db2.gz DRVHRZIBMMTKJN-DEVSCXNHSA-N 1 2 389.499 3.910 20 30 GHEDLO N#Cc1ccc(OCC[N@@H+]2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)cc1 ZINC000579767861 839969422 /nfs/dbraw/zinc/96/94/22/839969422.db2.gz MROKUZZPUHTSGT-LJQANCHMSA-N 1 2 392.377 3.909 20 30 GHEDLO N#Cc1ccc(OCC[N@H+]2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)cc1 ZINC000579767861 839969429 /nfs/dbraw/zinc/96/94/29/839969429.db2.gz MROKUZZPUHTSGT-LJQANCHMSA-N 1 2 392.377 3.909 20 30 GHEDLO COc1ccc(CC(N)=[NH+]O[C@H](C)C(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000193727841 840165025 /nfs/dbraw/zinc/16/50/25/840165025.db2.gz XPXWXZIMMDGEGI-CYBMUJFWSA-N 1 2 375.856 3.516 20 30 GHEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3ccc(Cl)c(C#N)c3)CC2)c1 ZINC000542725894 844578951 /nfs/dbraw/zinc/57/89/51/844578951.db2.gz CMNPCVIMMNQXJJ-HNNXBMFYSA-N 1 2 383.879 3.739 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)c1 ZINC000581242024 840932167 /nfs/dbraw/zinc/93/21/67/840932167.db2.gz OKDQKJQTTLVFGP-CYBMUJFWSA-N 1 2 377.204 3.864 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)c1 ZINC000581242024 840932173 /nfs/dbraw/zinc/93/21/73/840932173.db2.gz OKDQKJQTTLVFGP-CYBMUJFWSA-N 1 2 377.204 3.864 20 30 GHEDLO N#Cc1cccc(OC2CC[NH+](Cc3nc(-c4ccc(F)c(F)c4)no3)CC2)c1 ZINC000135192112 841365378 /nfs/dbraw/zinc/36/53/78/841365378.db2.gz RSMIHKBLXNPFKA-UHFFFAOYSA-N 1 2 396.397 3.930 20 30 GHEDLO Cc1ccc(C2CCN(C([O-])=[NH+][C@@H]3CCc4[nH+]c(C(C)(C)C)cn4C3)CC2)cn1 ZINC000329281762 861244052 /nfs/dbraw/zinc/24/40/52/861244052.db2.gz AEZDNVSUZNLKNU-LJQANCHMSA-N 1 2 395.551 3.992 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCc3ccc(C#N)s3)n2)C1 ZINC000569209717 842057213 /nfs/dbraw/zinc/05/72/13/842057213.db2.gz OKSGMAVUTMOWDL-GFCCVEGCSA-N 1 2 375.523 3.630 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCc3ccc(C#N)s3)n2)C1 ZINC000569209717 842057228 /nfs/dbraw/zinc/05/72/28/842057228.db2.gz OKSGMAVUTMOWDL-GFCCVEGCSA-N 1 2 375.523 3.630 20 30 GHEDLO CC[C@@H](C)c1ccc(S(=O)(=O)N2CC[NH+](CCCC(C)(C)C#N)CC2)cc1 ZINC000471700596 842188545 /nfs/dbraw/zinc/18/85/45/842188545.db2.gz KZJMCTKIFPQOSZ-GOSISDBHSA-N 1 2 391.581 3.836 20 30 GHEDLO O=C(N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329337395 861298476 /nfs/dbraw/zinc/29/84/76/861298476.db2.gz MMIAOFIAGZMCID-KSZLIROESA-N 1 2 380.435 3.744 20 30 GHEDLO O=C(N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329337395 861298480 /nfs/dbraw/zinc/29/84/80/861298480.db2.gz MMIAOFIAGZMCID-KSZLIROESA-N 1 2 380.435 3.744 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N[C@H](C)c1ccc(CC)cc1 ZINC000512144678 842635750 /nfs/dbraw/zinc/63/57/50/842635750.db2.gz BXMOCJKZWWONFP-QZTJIDSGSA-N 1 2 384.520 3.978 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N[C@H](C)c1ccc(CC)cc1 ZINC000512144678 842635754 /nfs/dbraw/zinc/63/57/54/842635754.db2.gz BXMOCJKZWWONFP-QZTJIDSGSA-N 1 2 384.520 3.978 20 30 GHEDLO O=C(C[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2)Nc1ccc2c(c1)OCCO2 ZINC000328877722 842771437 /nfs/dbraw/zinc/77/14/37/842771437.db2.gz ISTOURFXYLHFBA-KRWDZBQOSA-N 1 2 396.443 3.654 20 30 GHEDLO O=C(C[N@H+]1CCC[C@H]1c1cccc2c1OCCO2)Nc1ccc2c(c1)OCCO2 ZINC000328877722 842771445 /nfs/dbraw/zinc/77/14/45/842771445.db2.gz ISTOURFXYLHFBA-KRWDZBQOSA-N 1 2 396.443 3.654 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C ZINC000512182019 842790761 /nfs/dbraw/zinc/79/07/61/842790761.db2.gz CXTOYXHRVABNPC-KRWDZBQOSA-N 1 2 399.491 3.504 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C ZINC000512182019 842790767 /nfs/dbraw/zinc/79/07/67/842790767.db2.gz CXTOYXHRVABNPC-KRWDZBQOSA-N 1 2 399.491 3.504 20 30 GHEDLO COc1ccc(CCC2CC[NH+](CC(=O)Nc3sccc3C#N)CC2)cc1 ZINC000053847296 842916680 /nfs/dbraw/zinc/91/66/80/842916680.db2.gz SOTFHGWHOILWNE-UHFFFAOYSA-N 1 2 383.517 3.912 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](CN3C[C@H](c4cccc(F)c4)CC3=O)CC2)cc1 ZINC000728903797 842962941 /nfs/dbraw/zinc/96/29/41/842962941.db2.gz ZIQTUYSLBSKNEM-LJQANCHMSA-N 1 2 393.462 3.514 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H]1CCCN(c2ccc(F)cc2C)C1=O ZINC000512216173 843105176 /nfs/dbraw/zinc/10/51/76/843105176.db2.gz AOGHHBQQEGLOLB-NRFANRHFSA-N 1 2 386.467 3.793 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H]1CCCN(c2ccc(F)cc2C)C1=O ZINC000512216173 843105182 /nfs/dbraw/zinc/10/51/82/843105182.db2.gz AOGHHBQQEGLOLB-NRFANRHFSA-N 1 2 386.467 3.793 20 30 GHEDLO C=CCn1c(-c2ccc(Cl)cc2)nn(C[N@H+](C)C[C@@H]2CCOC2)c1=S ZINC000176095843 843309338 /nfs/dbraw/zinc/30/93/38/843309338.db2.gz FEPCSHNBFFAJBR-AWEZNQCLSA-N 1 2 378.929 3.846 20 30 GHEDLO C=CCn1c(-c2ccc(Cl)cc2)nn(C[N@@H+](C)C[C@@H]2CCOC2)c1=S ZINC000176095843 843309348 /nfs/dbraw/zinc/30/93/48/843309348.db2.gz FEPCSHNBFFAJBR-AWEZNQCLSA-N 1 2 378.929 3.846 20 30 GHEDLO Cc1ccccc1C(N)=[NH+]OCC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000731030412 861402910 /nfs/dbraw/zinc/40/29/10/861402910.db2.gz PNYLEPOERHJFRX-OAHLLOKOSA-N 1 2 382.489 3.875 20 30 GHEDLO C=CCc1cc(CNC(=O)c2cc(C)ccc2-n2cc[nH+]c2)cc(OC)c1OC ZINC000510811088 843539733 /nfs/dbraw/zinc/53/97/33/843539733.db2.gz IZAICFUBFBSSBB-UHFFFAOYSA-N 1 2 391.471 3.856 20 30 GHEDLO Cc1nc([C@H]2CCC[N@@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)sc1C ZINC000333064157 843952252 /nfs/dbraw/zinc/95/22/52/843952252.db2.gz SYFAASFONULIIY-JKSUJKDBSA-N 1 2 386.546 3.678 20 30 GHEDLO Cc1nc([C@H]2CCC[N@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)sc1C ZINC000333064157 843952257 /nfs/dbraw/zinc/95/22/57/843952257.db2.gz SYFAASFONULIIY-JKSUJKDBSA-N 1 2 386.546 3.678 20 30 GHEDLO CN(Cc1ccccc1)C(=O)N1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614170539 844845526 /nfs/dbraw/zinc/84/55/26/844845526.db2.gz CLDUUYNLUDQJQB-UHFFFAOYSA-N 1 2 390.531 3.857 20 30 GHEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1)C1CC1 ZINC000329485825 861520001 /nfs/dbraw/zinc/52/00/01/861520001.db2.gz SSQGUYDKMPEBBK-HRAATJIYSA-N 1 2 384.528 3.681 20 30 GHEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1)C1CC1 ZINC000329485825 861520008 /nfs/dbraw/zinc/52/00/08/861520008.db2.gz SSQGUYDKMPEBBK-HRAATJIYSA-N 1 2 384.528 3.681 20 30 GHEDLO N#Cc1cc([N+](=O)[O-])cnc1NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000513195042 845020180 /nfs/dbraw/zinc/02/01/80/845020180.db2.gz WSVUFUDSUZFWFG-MRXNPFEDSA-N 1 2 389.818 3.903 20 30 GHEDLO C=CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)C(=O)Nc1ccc(OC)cc1OC ZINC000411188672 845061485 /nfs/dbraw/zinc/06/14/85/845061485.db2.gz DOLUSYMVNSWXGU-MRXNPFEDSA-N 1 2 379.460 3.591 20 30 GHEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)C(=O)Nc1ccc(OC)cc1OC ZINC000411188672 845061489 /nfs/dbraw/zinc/06/14/89/845061489.db2.gz DOLUSYMVNSWXGU-MRXNPFEDSA-N 1 2 379.460 3.591 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685839 861528172 /nfs/dbraw/zinc/52/81/72/861528172.db2.gz KTKMAIBCQHSPGU-CQSZACIVSA-N 1 2 385.414 3.739 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685839 861528177 /nfs/dbraw/zinc/52/81/77/861528177.db2.gz KTKMAIBCQHSPGU-CQSZACIVSA-N 1 2 385.414 3.739 20 30 GHEDLO COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C[N@@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001143421892 845289502 /nfs/dbraw/zinc/28/95/02/845289502.db2.gz MWBDCZRADVQDOU-VXGBXAGGSA-N 1 2 375.284 3.638 20 30 GHEDLO COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C[N@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001143421892 845289514 /nfs/dbraw/zinc/28/95/14/845289514.db2.gz MWBDCZRADVQDOU-VXGBXAGGSA-N 1 2 375.284 3.638 20 30 GHEDLO Cc1c(C#N)c2[nH]c3ccccc3n2c(=O)c1C=[NH+]Nc1cccc2cnccc21 ZINC000728432318 845445940 /nfs/dbraw/zinc/44/59/40/845445940.db2.gz RABMYNBVQXGERQ-UHFFFAOYSA-N 1 2 392.422 3.955 20 30 GHEDLO Cc1cn2cc(NC(=O)N[C@H]3c4ccccc4CC34CCOCC4)ccc2[nH+]1 ZINC000329515581 861571910 /nfs/dbraw/zinc/57/19/10/861571910.db2.gz MJMXBGPNECFKTP-FQEVSTJZSA-N 1 2 376.460 3.872 20 30 GHEDLO Cc1nc(N2CCN(C(=O)N[C@@H]3CC=C(c4ccc(F)cc4)CC3)CC2)cc[nH+]1 ZINC000329520036 861575930 /nfs/dbraw/zinc/57/59/30/861575930.db2.gz OEXJDEACRBUZMM-HXUWFJFHSA-N 1 2 395.482 3.596 20 30 GHEDLO Cc1ccc(NC(=O)NC(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(C)c1 ZINC000502548037 846187160 /nfs/dbraw/zinc/18/71/60/846187160.db2.gz HCFMVKJKYNVLPG-UHFFFAOYSA-N 1 2 388.471 3.613 20 30 GHEDLO Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(C)c1 ZINC000502548037 846187166 /nfs/dbraw/zinc/18/71/66/846187166.db2.gz HCFMVKJKYNVLPG-UHFFFAOYSA-N 1 2 388.471 3.613 20 30 GHEDLO CC(C)COc1ccccc1C[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000513665280 846232193 /nfs/dbraw/zinc/23/21/93/846232193.db2.gz COEAFDZEOYRDAI-FDDCHVKYSA-N 1 2 375.472 3.567 20 30 GHEDLO CC(C)COc1ccccc1C[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000513665280 846232199 /nfs/dbraw/zinc/23/21/99/846232199.db2.gz COEAFDZEOYRDAI-FDDCHVKYSA-N 1 2 375.472 3.567 20 30 GHEDLO C[C@@H](c1cccnc1)[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000501040501 846564953 /nfs/dbraw/zinc/56/49/53/846564953.db2.gz RBSIHRBKSMVYQJ-KXBFYZLASA-N 1 2 385.309 3.788 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+]([C@@H](C(=O)NC3CC3)c3ccc(F)cc3)CC2)cc1 ZINC000551948235 846595227 /nfs/dbraw/zinc/59/52/27/846595227.db2.gz LYSSETFWHDSAOW-JOCHJYFZSA-N 1 2 393.462 3.560 20 30 GHEDLO C=CCn1c(C2CC2)nn(C[NH2+]C2(C(=O)N(CC)CC)CCCCC2)c1=S ZINC000161178376 846610694 /nfs/dbraw/zinc/61/06/94/846610694.db2.gz HLEDEOXJRSQDBO-UHFFFAOYSA-N 1 2 391.585 3.596 20 30 GHEDLO COc1cc(NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c(F)cc1C#N ZINC000599813867 861709729 /nfs/dbraw/zinc/70/97/29/861709729.db2.gz REZTXWMSRTVDGK-UHFFFAOYSA-N 1 2 397.454 3.650 20 30 GHEDLO N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)s2)cc1 ZINC000263933557 846822387 /nfs/dbraw/zinc/82/23/87/846822387.db2.gz LQPUPRMSGZEVRG-INIZCTEOSA-N 1 2 392.488 3.740 20 30 GHEDLO Cc1noc([C@H](C)[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)n1 ZINC000563354752 847233889 /nfs/dbraw/zinc/23/38/89/847233889.db2.gz AOUNPJZASNYWPQ-LBPRGKRZSA-N 1 2 387.509 3.602 20 30 GHEDLO Cc1noc([C@H](C)[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)n1 ZINC000563354752 847233901 /nfs/dbraw/zinc/23/39/01/847233901.db2.gz AOUNPJZASNYWPQ-LBPRGKRZSA-N 1 2 387.509 3.602 20 30 GHEDLO C=C(C)[C@@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C1(C)C)c1ccc(F)c(F)c1 ZINC000481585457 861771055 /nfs/dbraw/zinc/77/10/55/861771055.db2.gz IECSAZSFCQVHSH-HXUWFJFHSA-N 1 2 399.441 3.936 20 30 GHEDLO COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1C ZINC000502527540 847968654 /nfs/dbraw/zinc/96/86/54/847968654.db2.gz GRBYZYXWEKJDGE-MRXNPFEDSA-N 1 2 391.471 3.650 20 30 GHEDLO COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1C ZINC000502527540 847968666 /nfs/dbraw/zinc/96/86/66/847968666.db2.gz GRBYZYXWEKJDGE-MRXNPFEDSA-N 1 2 391.471 3.650 20 30 GHEDLO N#Cc1ccccc1NC(=S)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000731944372 861966516 /nfs/dbraw/zinc/96/65/16/861966516.db2.gz SJDIRLPQOVHOTI-OAHLLOKOSA-N 1 2 386.471 3.787 20 30 GHEDLO N#Cc1ccccc1NC(=S)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000731944372 861966525 /nfs/dbraw/zinc/96/65/25/861966525.db2.gz SJDIRLPQOVHOTI-OAHLLOKOSA-N 1 2 386.471 3.787 20 30 GHEDLO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)ccn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000503962467 849803112 /nfs/dbraw/zinc/80/31/12/849803112.db2.gz LEDAROHGJHNQEX-IEBWSBKVSA-N 1 2 386.858 3.700 20 30 GHEDLO CC(C)[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)ccn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000503962467 849803118 /nfs/dbraw/zinc/80/31/18/849803118.db2.gz LEDAROHGJHNQEX-IEBWSBKVSA-N 1 2 386.858 3.700 20 30 GHEDLO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000156328367 849870542 /nfs/dbraw/zinc/87/05/42/849870542.db2.gz HEYYXTNMMIFEOD-CYBMUJFWSA-N 1 2 392.272 3.562 20 30 GHEDLO C[N@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000434989098 849975676 /nfs/dbraw/zinc/97/56/76/849975676.db2.gz ZTJKUAAGTAYQRZ-UHFFFAOYSA-N 1 2 377.496 3.511 20 30 GHEDLO C[N@@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000434989098 849975689 /nfs/dbraw/zinc/97/56/89/849975689.db2.gz ZTJKUAAGTAYQRZ-UHFFFAOYSA-N 1 2 377.496 3.511 20 30 GHEDLO N#Cc1cc(F)cc(C2(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)CC2)c1 ZINC000504535595 850111846 /nfs/dbraw/zinc/11/18/46/850111846.db2.gz CQTFENYHOVSTFK-QPJJXVBHSA-N 1 2 389.474 3.587 20 30 GHEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000514746310 850260345 /nfs/dbraw/zinc/26/03/45/850260345.db2.gz DVGZKJPOAAFTTH-KRWDZBQOSA-N 1 2 396.922 3.747 20 30 GHEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000514746310 850260358 /nfs/dbraw/zinc/26/03/58/850260358.db2.gz DVGZKJPOAAFTTH-KRWDZBQOSA-N 1 2 396.922 3.747 20 30 GHEDLO C[C@H](c1cccc(NC(=O)C2(c3ccc(C#N)cc3)CC2)c1)[NH+]1CCOCC1 ZINC000473560685 850357449 /nfs/dbraw/zinc/35/74/49/850357449.db2.gz FMDOKZZJORLPOW-QGZVFWFLSA-N 1 2 375.472 3.622 20 30 GHEDLO N#CCn1c(=O)c2ccccc2nc1C[NH+]1CCC(Cc2ccccc2F)CC1 ZINC000732215016 862138463 /nfs/dbraw/zinc/13/84/63/862138463.db2.gz YDSCPROOCSAIOO-UHFFFAOYSA-N 1 2 390.462 3.514 20 30 GHEDLO C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O ZINC000515648141 851307624 /nfs/dbraw/zinc/30/76/24/851307624.db2.gz ZIVXIHSCOPRRLT-MRXNPFEDSA-N 1 2 388.254 3.629 20 30 GHEDLO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O ZINC000515648141 851307637 /nfs/dbraw/zinc/30/76/37/851307637.db2.gz ZIVXIHSCOPRRLT-MRXNPFEDSA-N 1 2 388.254 3.629 20 30 GHEDLO CCOC(=O)c1cc(C)sc1NC(=O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425532096 851549771 /nfs/dbraw/zinc/54/97/71/851549771.db2.gz IKHIIUMCFXTACU-AWEZNQCLSA-N 1 2 385.489 3.736 20 30 GHEDLO CCOC(=O)c1cc(C)sc1NC(=O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425532096 851549784 /nfs/dbraw/zinc/54/97/84/851549784.db2.gz IKHIIUMCFXTACU-AWEZNQCLSA-N 1 2 385.489 3.736 20 30 GHEDLO C=CCn1c(SCc2cc[nH+]c(N)c2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000430097762 851571048 /nfs/dbraw/zinc/57/10/48/851571048.db2.gz HUASAGYKKPRMOQ-GFCCVEGCSA-N 1 2 398.557 3.869 20 30 GHEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000517486787 852011756 /nfs/dbraw/zinc/01/17/56/852011756.db2.gz IWJXKZODTQLHLD-FDPIWHGQSA-N 1 2 395.906 3.505 20 30 GHEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000517486787 852011764 /nfs/dbraw/zinc/01/17/64/852011764.db2.gz IWJXKZODTQLHLD-FDPIWHGQSA-N 1 2 395.906 3.505 20 30 GHEDLO CCc1nnc(C)cc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000329774232 862314473 /nfs/dbraw/zinc/31/44/73/862314473.db2.gz IMMDJEGKJHSIKG-MSOLQXFVSA-N 1 2 376.863 3.890 20 30 GHEDLO CCc1nnc(C)cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000329774232 862314492 /nfs/dbraw/zinc/31/44/92/862314492.db2.gz IMMDJEGKJHSIKG-MSOLQXFVSA-N 1 2 376.863 3.890 20 30 GHEDLO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@@H+]3CCC[C@H]3CO)sc2C1 ZINC000426998364 852617984 /nfs/dbraw/zinc/61/79/84/852617984.db2.gz PWSNVJQDOLUJFM-CABCVRRESA-N 1 2 389.565 3.556 20 30 GHEDLO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@H+]3CCC[C@H]3CO)sc2C1 ZINC000426998364 852617995 /nfs/dbraw/zinc/61/79/95/852617995.db2.gz PWSNVJQDOLUJFM-CABCVRRESA-N 1 2 389.565 3.556 20 30 GHEDLO [O-]C(NC[C@H]1CCc2[nH+]ccn2C1)=[NH+]CC1(c2c(F)cccc2F)CCCC1 ZINC000329897596 862406727 /nfs/dbraw/zinc/40/67/27/862406727.db2.gz LLUVAPOVSJHKRF-OAHLLOKOSA-N 1 2 388.462 3.739 20 30 GHEDLO [O-]C(NCC1(c2c(F)cccc2F)CCCC1)=[NH+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000329897596 862406732 /nfs/dbraw/zinc/40/67/32/862406732.db2.gz LLUVAPOVSJHKRF-OAHLLOKOSA-N 1 2 388.462 3.739 20 30 GHEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000437534768 853237615 /nfs/dbraw/zinc/23/76/15/853237615.db2.gz JGWWDLLFNBRPNK-JBACZVJFSA-N 1 2 382.508 3.522 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3(Cc4ccccc4Cl)CC3)CC2)cc1 ZINC000439256374 853492794 /nfs/dbraw/zinc/49/27/94/853492794.db2.gz YZRYBWVFJSANKG-UHFFFAOYSA-N 1 2 393.918 3.879 20 30 GHEDLO Cc1cccc(Cc2cnc(NC(=O)C[N@@H+](C)Cc3ccc(C#N)cc3)s2)c1 ZINC000506135007 853545528 /nfs/dbraw/zinc/54/55/28/853545528.db2.gz JYWFWGUDEZQZGC-UHFFFAOYSA-N 1 2 390.512 3.985 20 30 GHEDLO Cc1cccc(Cc2cnc(NC(=O)C[N@H+](C)Cc3ccc(C#N)cc3)s2)c1 ZINC000506135007 853545532 /nfs/dbraw/zinc/54/55/32/853545532.db2.gz JYWFWGUDEZQZGC-UHFFFAOYSA-N 1 2 390.512 3.985 20 30 GHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000571092873 853738341 /nfs/dbraw/zinc/73/83/41/853738341.db2.gz ZBXYZKBKEBZKTO-UHFFFAOYSA-N 1 2 381.455 3.863 20 30 GHEDLO CC(C)Oc1ccccc1C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000055901356 854232846 /nfs/dbraw/zinc/23/28/46/854232846.db2.gz DZYZEVWAXXRQBE-UHFFFAOYSA-N 1 2 392.459 3.916 20 30 GHEDLO CC(C)[C@H](NC(=O)C[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1)c1ccc(F)cc1 ZINC000330098902 862573986 /nfs/dbraw/zinc/57/39/86/862573986.db2.gz CJVLSGNXGLQSQQ-CZAAIQMYSA-N 1 2 378.488 3.749 20 30 GHEDLO CC(C)[C@H](NC(=O)C[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1)c1ccc(F)cc1 ZINC000330098902 862573994 /nfs/dbraw/zinc/57/39/94/862573994.db2.gz CJVLSGNXGLQSQQ-CZAAIQMYSA-N 1 2 378.488 3.749 20 30 GHEDLO O=C(N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCc2ccccc21)C1CCCCC1 ZINC000328763454 854533347 /nfs/dbraw/zinc/53/33/47/854533347.db2.gz FSGZHNPFLMAARF-IBGZPJMESA-N 1 2 380.492 3.837 20 30 GHEDLO O=C(N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCc2ccccc21)C1CCCCC1 ZINC000328763454 854533352 /nfs/dbraw/zinc/53/33/52/854533352.db2.gz FSGZHNPFLMAARF-IBGZPJMESA-N 1 2 380.492 3.837 20 30 GHEDLO N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)cc2)ccn1 ZINC000589364152 854829229 /nfs/dbraw/zinc/82/92/29/854829229.db2.gz LVJIQPYJNTWFEW-GOSISDBHSA-N 1 2 388.431 3.811 20 30 GHEDLO N#Cc1c(NC(=O)CC[N@@H+]2CCO[C@@H](c3ccco3)C2)sc2c1CCCCC2 ZINC000120904964 854870870 /nfs/dbraw/zinc/87/08/70/854870870.db2.gz KVFHBYQXYKQESU-GOSISDBHSA-N 1 2 399.516 3.884 20 30 GHEDLO N#Cc1c(NC(=O)CC[N@H+]2CCO[C@@H](c3ccco3)C2)sc2c1CCCCC2 ZINC000120904964 854870876 /nfs/dbraw/zinc/87/08/76/854870876.db2.gz KVFHBYQXYKQESU-GOSISDBHSA-N 1 2 399.516 3.884 20 30 GHEDLO O=C(C[N@@H+]1CCc2cc[nH]c(=O)c2C1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000330240955 862687167 /nfs/dbraw/zinc/68/71/67/862687167.db2.gz FMFVXIRHIPLZKG-UHFFFAOYSA-N 1 2 395.459 3.865 20 30 GHEDLO O=C(C[N@H+]1CCc2cc[nH]c(=O)c2C1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000330240955 862687170 /nfs/dbraw/zinc/68/71/70/862687170.db2.gz FMFVXIRHIPLZKG-UHFFFAOYSA-N 1 2 395.459 3.865 20 30 GHEDLO COc1cc2ccccc2cc1C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000590638726 855524108 /nfs/dbraw/zinc/52/41/08/855524108.db2.gz CZCGWQDVQWQJBO-UHFFFAOYSA-N 1 2 388.471 3.908 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](Cc3ccccc3OCC(F)(F)F)CC2)c(F)c1 ZINC000441540947 855597621 /nfs/dbraw/zinc/59/76/21/855597621.db2.gz CVTFFZQPEPHPGD-UHFFFAOYSA-N 1 2 393.384 3.961 20 30 GHEDLO COc1ccc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)cc1F ZINC000301128153 855623497 /nfs/dbraw/zinc/62/34/97/855623497.db2.gz PNJOIQWHHNSPTL-UHFFFAOYSA-N 1 2 376.435 3.576 20 30 GHEDLO N#Cc1cc2c(nc1N1CCc3c([nH+]cn3CCc3ccccc3)C1)CCCC2 ZINC000302090223 855815840 /nfs/dbraw/zinc/81/58/40/855815840.db2.gz AVOKCFOIPURITC-UHFFFAOYSA-N 1 2 383.499 3.834 20 30 GHEDLO N#Cc1c(N)n(-c2ccccc2)nc1CCCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000302741158 855925493 /nfs/dbraw/zinc/92/54/93/855925493.db2.gz QODKQUIKBMAOFS-UHFFFAOYSA-N 1 2 386.381 3.785 20 30 GHEDLO CCOC1CC[NH+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000108716985 855991378 /nfs/dbraw/zinc/99/13/78/855991378.db2.gz UEBVCHSQBUCSGV-CQSZACIVSA-N 1 2 375.538 3.717 20 30 GHEDLO COC(=O)C[C@](C)([NH2+]Cc1ccccc1C#N)c1ccc(Br)cc1 ZINC000513122197 856402228 /nfs/dbraw/zinc/40/22/28/856402228.db2.gz MIAGXYPMBVRHOF-IBGZPJMESA-N 1 2 387.277 3.889 20 30 GHEDLO CC[C@@H]1C[N@H+](CCNC(=O)c2ccc(Sc3ccccc3C#N)cc2)CCO1 ZINC000427719172 856632334 /nfs/dbraw/zinc/63/23/34/856632334.db2.gz AXGUWHXKKNWFDU-LJQANCHMSA-N 1 2 395.528 3.550 20 30 GHEDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2ccc(Sc3ccccc3C#N)cc2)CCO1 ZINC000427719172 856632337 /nfs/dbraw/zinc/63/23/37/856632337.db2.gz AXGUWHXKKNWFDU-LJQANCHMSA-N 1 2 395.528 3.550 20 30 GHEDLO N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000427996404 856989373 /nfs/dbraw/zinc/98/93/73/856989373.db2.gz YYMHKRKABCRGRQ-KRWDZBQOSA-N 1 2 392.846 3.945 20 30 GHEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)cs2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245599662 856992265 /nfs/dbraw/zinc/99/22/65/856992265.db2.gz OJPFVGZAICIIQB-NVXWUHKLSA-N 1 2 377.872 3.978 20 30 GHEDLO CC[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)cs2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245599662 856992271 /nfs/dbraw/zinc/99/22/71/856992271.db2.gz OJPFVGZAICIIQB-NVXWUHKLSA-N 1 2 377.872 3.978 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2ccc(C#N)cc2C)[C@@H](C)C1 ZINC000508329769 857172611 /nfs/dbraw/zinc/17/26/11/857172611.db2.gz IHWADSKADWBWCO-SFHVURJKSA-N 1 2 377.488 3.612 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2ccc(C#N)cc2C)[C@@H](C)C1 ZINC000508329769 857172615 /nfs/dbraw/zinc/17/26/15/857172615.db2.gz IHWADSKADWBWCO-SFHVURJKSA-N 1 2 377.488 3.612 20 30 GHEDLO C=CCC[C@H](NC(=O)N(C)CC[NH+]1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000442278224 857691516 /nfs/dbraw/zinc/69/15/16/857691516.db2.gz SYMFKHOYOJVNJL-SFHVURJKSA-N 1 2 399.457 3.686 20 30 GHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)Cc3ccc(C#N)cc3)n2)C1 ZINC000043546716 857918086 /nfs/dbraw/zinc/91/80/86/857918086.db2.gz NBLQQMLQUANENC-HNNXBMFYSA-N 1 2 383.521 3.911 20 30 GHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)Cc3ccc(C#N)cc3)n2)C1 ZINC000043546716 857918097 /nfs/dbraw/zinc/91/80/97/857918097.db2.gz NBLQQMLQUANENC-HNNXBMFYSA-N 1 2 383.521 3.911 20 30 GHEDLO C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)[C@@H](C)[NH+]1CCOCC1 ZINC000078514478 858072231 /nfs/dbraw/zinc/07/22/31/858072231.db2.gz IEBVCMWXJGYASU-IAGOWNOFSA-N 1 2 395.528 3.548 20 30 GHEDLO C[C@H]([C@H](C)NC(=O)c1ccccc1Sc1ccccc1C#N)[NH+]1CCOCC1 ZINC000078514471 858072380 /nfs/dbraw/zinc/07/23/80/858072380.db2.gz IEBVCMWXJGYASU-DLBZAZTESA-N 1 2 395.528 3.548 20 30 GHEDLO COC(=O)c1cccc(C[NH2+][C@@H](CC(=O)OC(C)C)c2ccccc2)c1C#N ZINC000543052520 858109371 /nfs/dbraw/zinc/10/93/71/858109371.db2.gz OZNOIAXVKLQWIC-FQEVSTJZSA-N 1 2 380.444 3.517 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000595499287 858545716 /nfs/dbraw/zinc/54/57/16/858545716.db2.gz FAAODKYKNUOZKN-CABCVRRESA-N 1 2 380.517 3.710 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000595499287 858545724 /nfs/dbraw/zinc/54/57/24/858545724.db2.gz FAAODKYKNUOZKN-CABCVRRESA-N 1 2 380.517 3.710 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000171093275 863042966 /nfs/dbraw/zinc/04/29/66/863042966.db2.gz GLVXBXNSYGHASF-GOSISDBHSA-N 1 2 397.862 3.758 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000171093275 863042978 /nfs/dbraw/zinc/04/29/78/863042978.db2.gz GLVXBXNSYGHASF-GOSISDBHSA-N 1 2 397.862 3.758 20 30 GHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCCc2ccc(C#N)cc2)c(C)c1 ZINC000595695961 858651427 /nfs/dbraw/zinc/65/14/27/858651427.db2.gz RQVDYJVLRWWYMW-QFIPXVFZSA-N 1 2 387.487 3.655 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC3(CCc4ccccc4O3)CC2)c(C#N)c1C ZINC000595828855 858701495 /nfs/dbraw/zinc/70/14/95/858701495.db2.gz OQSBZQSCPUKTNR-MRXNPFEDSA-N 1 2 393.487 3.955 20 30 GHEDLO C[C@]1(C(F)F)C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCO1 ZINC000595918942 858733097 /nfs/dbraw/zinc/73/30/97/858733097.db2.gz ZOAWRSKOQSIEHN-LJQANCHMSA-N 1 2 397.491 3.573 20 30 GHEDLO C[C@]1(C(F)F)C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCO1 ZINC000595918942 858733102 /nfs/dbraw/zinc/73/31/02/858733102.db2.gz ZOAWRSKOQSIEHN-LJQANCHMSA-N 1 2 397.491 3.573 20 30 GHEDLO COC1(c2noc(CC3CC[NH+](Cc4cccc(F)c4C#N)CC3)n2)CCCC1 ZINC000595918821 858733896 /nfs/dbraw/zinc/73/38/96/858733896.db2.gz YALOPJUOMRRUNL-UHFFFAOYSA-N 1 2 398.482 3.951 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2Cc3cccc(C#N)c3C2)C[C@H](C)O1 ZINC000593145948 858783310 /nfs/dbraw/zinc/78/33/10/858783310.db2.gz GVXJLYBOLYRRKV-CALCHBBNSA-N 1 2 390.487 3.715 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2Cc3cccc(C#N)c3C2)C[C@H](C)O1 ZINC000593145948 858783317 /nfs/dbraw/zinc/78/33/17/858783317.db2.gz GVXJLYBOLYRRKV-CALCHBBNSA-N 1 2 390.487 3.715 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](Cc3nnc(-c4cccc(C#N)c4)o3)CC2)cc1 ZINC000482860811 858924606 /nfs/dbraw/zinc/92/46/06/858924606.db2.gz VIRONQWTHDAWJJ-UHFFFAOYSA-N 1 2 385.427 3.523 20 30 GHEDLO C[C@@H](C#N)Oc1ccc(C[NH2+]C2(c3ncc(Br)cn3)CCC2)cc1 ZINC000923000622 858925699 /nfs/dbraw/zinc/92/56/99/858925699.db2.gz NINVHHHKJBFJLX-ZDUSSCGKSA-N 1 2 387.281 3.699 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCCc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000596673444 858985992 /nfs/dbraw/zinc/98/59/92/858985992.db2.gz IRXGIUDKQAJSOX-HDICACEKSA-N 1 2 392.503 3.532 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCCc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000596673444 858985998 /nfs/dbraw/zinc/98/59/98/858985998.db2.gz IRXGIUDKQAJSOX-HDICACEKSA-N 1 2 392.503 3.532 20 30 GHEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000596866278 859143910 /nfs/dbraw/zinc/14/39/10/859143910.db2.gz SSPBFMPGUSAUSZ-WOJBJXKFSA-N 1 2 386.455 3.807 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2SCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000764063141 859166456 /nfs/dbraw/zinc/16/64/56/859166456.db2.gz DUZQSZLFEWNLGA-MJGOQNOKSA-N 1 2 387.455 3.756 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)c2ccccc2SCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000764063141 859166464 /nfs/dbraw/zinc/16/64/64/859166464.db2.gz DUZQSZLFEWNLGA-MJGOQNOKSA-N 1 2 387.455 3.756 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cc(C(F)F)ccc3F)CC2)cc1 ZINC000593254748 859222254 /nfs/dbraw/zinc/22/22/54/859222254.db2.gz LBLSJVARENNNHA-UHFFFAOYSA-N 1 2 388.393 3.985 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(c2ccccn2)CC1 ZINC000611090424 859605996 /nfs/dbraw/zinc/60/59/96/859605996.db2.gz VLROBWLHBFCLGA-AWEZNQCLSA-N 1 2 380.517 3.710 20 30 GHEDLO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCc3ccccc3[C@@H]2C(N)=O)c1 ZINC000611266480 859673834 /nfs/dbraw/zinc/67/38/34/859673834.db2.gz AWUDXOZOSFEPRV-XMMPIXPASA-N 1 2 397.478 3.722 20 30 GHEDLO N#Cc1ccccc1COc1cccc(C[N@H+]2CCc3ccccc3[C@@H]2C(N)=O)c1 ZINC000611266480 859673837 /nfs/dbraw/zinc/67/38/37/859673837.db2.gz AWUDXOZOSFEPRV-XMMPIXPASA-N 1 2 397.478 3.722 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCN(c2cccs2)CC1 ZINC000466493396 859735195 /nfs/dbraw/zinc/73/51/95/859735195.db2.gz RQXHKTFXVBEAMG-MRXNPFEDSA-N 1 2 375.563 3.535 20 30 GHEDLO N#CCCn1cc(C[N@@H+]2CCc3cc(F)c(F)cc3C2)c(-c2ccncc2)n1 ZINC000895656514 859762042 /nfs/dbraw/zinc/76/20/42/859762042.db2.gz QWGKMZHXMIEUCJ-UHFFFAOYSA-N 1 2 379.414 3.695 20 30 GHEDLO N#CCCn1cc(C[N@H+]2CCc3cc(F)c(F)cc3C2)c(-c2ccncc2)n1 ZINC000895656514 859762050 /nfs/dbraw/zinc/76/20/50/859762050.db2.gz QWGKMZHXMIEUCJ-UHFFFAOYSA-N 1 2 379.414 3.695 20 30 GHEDLO N#C[C@@H](NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000602095808 859771624 /nfs/dbraw/zinc/77/16/24/859771624.db2.gz GGWNSNWQFZDJFF-OLZOCXBDSA-N 1 2 390.287 3.776 20 30 GHEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc(F)cc2OCC#N)CC1 ZINC000765221914 859846087 /nfs/dbraw/zinc/84/60/87/859846087.db2.gz CZMRJFTYFVWOAF-CQSZACIVSA-N 1 2 388.468 3.700 20 30 GHEDLO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC(OCc3ccc(F)cc3)CC2)C1=O ZINC000091887704 859951110 /nfs/dbraw/zinc/95/11/10/859951110.db2.gz HGVLFYOPBVNEIR-IBGZPJMESA-N 1 2 399.491 3.545 20 30 GHEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2ccc(C(F)F)nc2)CC1 ZINC000602453803 860029734 /nfs/dbraw/zinc/02/97/34/860029734.db2.gz JKOOPPFKHRALIJ-UHFFFAOYSA-N 1 2 379.414 3.761 20 30 GHEDLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000727436696 860077457 /nfs/dbraw/zinc/07/74/57/860077457.db2.gz MRRVYXRZBHGSSP-ZWDAVXSWSA-N 1 2 398.466 3.686 20 30 GHEDLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000727436696 860077471 /nfs/dbraw/zinc/07/74/71/860077471.db2.gz MRRVYXRZBHGSSP-ZWDAVXSWSA-N 1 2 398.466 3.686 20 30 GHEDLO COc1ccc(OCC[N@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)cc1 ZINC000125096255 860580042 /nfs/dbraw/zinc/58/00/42/860580042.db2.gz DQDXNEDUPTXJMJ-UHFFFAOYSA-N 1 2 391.471 3.757 20 30 GHEDLO COc1ccc(OCC[N@@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)cc1 ZINC000125096255 860580047 /nfs/dbraw/zinc/58/00/47/860580047.db2.gz DQDXNEDUPTXJMJ-UHFFFAOYSA-N 1 2 391.471 3.757 20 30 GHEDLO Cc1nc(SCC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c(C#N)c(C)c1C ZINC000603577702 860834392 /nfs/dbraw/zinc/83/43/92/860834392.db2.gz GCHSIHOLGILXPE-UHFFFAOYSA-N 1 2 377.473 3.795 20 30 GHEDLO N#Cc1cc(F)ccc1NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000126287606 861010807 /nfs/dbraw/zinc/01/08/07/861010807.db2.gz OSDCUXONXZSFQC-PMACEKPBSA-N 1 2 375.407 3.944 20 30 GHEDLO CNC(=O)C[N@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccc(C)c(C#N)c1 ZINC000599326163 861066432 /nfs/dbraw/zinc/06/64/32/861066432.db2.gz QWYGANABEUCWCY-UHFFFAOYSA-N 1 2 375.394 3.634 20 30 GHEDLO CNC(=O)C[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccc(C)c(C#N)c1 ZINC000599326163 861066451 /nfs/dbraw/zinc/06/64/51/861066451.db2.gz QWYGANABEUCWCY-UHFFFAOYSA-N 1 2 375.394 3.634 20 30 GHEDLO O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N[C@H]1CCCOCC1 ZINC000329227993 861168453 /nfs/dbraw/zinc/16/84/53/861168453.db2.gz IJTIXYLAJAYLME-WMLDXEAASA-N 1 2 383.895 3.689 20 30 GHEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(CC(=O)Nc2sccc2C#N)CC1 ZINC000444169428 863583520 /nfs/dbraw/zinc/58/35/20/863583520.db2.gz KBFTVTLLZYRASW-CQSZACIVSA-N 1 2 388.924 3.590 20 30 GHEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@H](COCc3ccccc3)C2)nc1C1CC1 ZINC000172970189 864203153 /nfs/dbraw/zinc/20/31/53/864203153.db2.gz WAFKAOJLSMVWNL-SFHVURJKSA-N 1 2 384.549 3.974 20 30 GHEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@H](COCc3ccccc3)C2)nc1C1CC1 ZINC000172970189 864203164 /nfs/dbraw/zinc/20/31/64/864203164.db2.gz WAFKAOJLSMVWNL-SFHVURJKSA-N 1 2 384.549 3.974 20 30 GHEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000063404070 864663005 /nfs/dbraw/zinc/66/30/05/864663005.db2.gz LKBXAQYRMYTKJL-UHFFFAOYSA-N 1 2 391.431 3.678 20 30 GHEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000475274789 864678070 /nfs/dbraw/zinc/67/80/70/864678070.db2.gz DBJFXFALKVSLLF-UHFFFAOYSA-N 1 2 380.492 3.606 20 30 GHEDLO COc1ccc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)cc1OC ZINC000475332849 864822205 /nfs/dbraw/zinc/82/22/05/864822205.db2.gz HWWASWFIFFXYTG-IBGZPJMESA-N 1 2 385.895 3.740 20 30 GHEDLO COC[C@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1)c1ccc(C)o1 ZINC000184740067 864894174 /nfs/dbraw/zinc/89/41/74/864894174.db2.gz LCJHDMHTVGIXQP-QUCCMNQESA-N 1 2 383.492 3.817 20 30 GHEDLO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCO2)c1 ZINC000554868838 865063690 /nfs/dbraw/zinc/06/36/90/865063690.db2.gz NLXOEYQZQWQYIO-XZOQPEGZSA-N 1 2 378.472 3.517 20 30 GHEDLO N#Cc1ccccc1COc1cccc(C[N@H+]2CCOC[C@H]2[C@H]2CCCO2)c1 ZINC000554868838 865063708 /nfs/dbraw/zinc/06/37/08/865063708.db2.gz NLXOEYQZQWQYIO-XZOQPEGZSA-N 1 2 378.472 3.517 20 30 GHEDLO NC(=[NH+]OCc1noc2c1CCCC2)c1ccc(OCc2ccccc2)cc1 ZINC000736299394 865180705 /nfs/dbraw/zinc/18/07/05/865180705.db2.gz KLSXCNKXAXDGCF-UHFFFAOYSA-N 1 2 377.444 3.970 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCC3CC(c4ccccc4)C3)CC2)cc1 ZINC000554955127 865238268 /nfs/dbraw/zinc/23/82/68/865238268.db2.gz DNGDKVQVVUHJEH-UHFFFAOYSA-N 1 2 388.515 3.579 20 30 GHEDLO CC(C)c1nc(C#N)c(N[NH2+]C=C2CC(F)(F)CN2C(=O)OC(C)(C)C)o1 ZINC000792996622 881865157 /nfs/dbraw/zinc/86/51/57/881865157.db2.gz SJLQDNAHARARMN-LLVKDONJSA-N 1 2 383.399 3.712 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCCc3c(F)cccc3F)CC2)cc1 ZINC000594210681 865383734 /nfs/dbraw/zinc/38/37/34/865383734.db2.gz CVGBEDLHDCLDRB-UHFFFAOYSA-N 1 2 383.442 3.504 20 30 GHEDLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccccc3SCC#N)CC2)s1 ZINC000737934440 865454963 /nfs/dbraw/zinc/45/49/63/865454963.db2.gz MKOWSBDVBXDGEL-UHFFFAOYSA-N 1 2 385.558 3.884 20 30 GHEDLO CC[C@H]([NH2+][C@H](C)C(=O)NC1(C#N)CCCCC1)c1nc(C(F)(F)F)cs1 ZINC000173221234 865777266 /nfs/dbraw/zinc/77/72/66/865777266.db2.gz DLZVMYGQPNQPNR-NEPJUHHUSA-N 1 2 388.459 3.934 20 30 GHEDLO C[C@H](CSCc1ccccc1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000440094376 865949952 /nfs/dbraw/zinc/94/99/52/865949952.db2.gz AJYDURCFZCCRJH-LJQANCHMSA-N 1 2 393.556 3.772 20 30 GHEDLO CC(=[NH+][N-]c1[nH]c2cc(F)c(F)cc2[nH+]1)c1c(F)cccc1N1CCOCC1 ZINC000741163666 866276833 /nfs/dbraw/zinc/27/68/33/866276833.db2.gz VMHHZKILJHGUGF-UHFFFAOYSA-N 1 2 389.381 3.653 20 30 GHEDLO CC[N@H+](C)[C@@H](C(=O)O[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000741150681 866290909 /nfs/dbraw/zinc/29/09/09/866290909.db2.gz LAXPMCHMTORJEO-AUUYWEPGSA-N 1 2 399.878 3.775 20 30 GHEDLO CC[N@@H+](C)[C@@H](C(=O)O[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000741150681 866290925 /nfs/dbraw/zinc/29/09/25/866290925.db2.gz LAXPMCHMTORJEO-AUUYWEPGSA-N 1 2 399.878 3.775 20 30 GHEDLO Cc1ccc(C(=O)C2CC[NH+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000054295424 866622898 /nfs/dbraw/zinc/62/28/98/866622898.db2.gz ZYMGAMIJEGNFGR-KRWDZBQOSA-N 1 2 375.472 3.789 20 30 GHEDLO N#CCc1cccc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)c1 ZINC000455921928 867051548 /nfs/dbraw/zinc/05/15/48/867051548.db2.gz QDMJQRPHZIVYEC-QGZVFWFLSA-N 1 2 384.430 3.817 20 30 GHEDLO N#CCc1cccc(NC(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)c1 ZINC000455921928 867051563 /nfs/dbraw/zinc/05/15/63/867051563.db2.gz QDMJQRPHZIVYEC-QGZVFWFLSA-N 1 2 384.430 3.817 20 30 GHEDLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccc(C#Cc2ccccc2)cc1 ZINC000553298498 867125087 /nfs/dbraw/zinc/12/50/87/867125087.db2.gz WVKLPKHENUOQLY-UHFFFAOYSA-N 1 2 378.435 3.979 20 30 GHEDLO N#Cc1cc(NC(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)ccc1F ZINC000523633043 867656718 /nfs/dbraw/zinc/65/67/18/867656718.db2.gz WBGFRCSUMIDZQI-OAHLLOKOSA-N 1 2 388.393 3.762 20 30 GHEDLO N#Cc1cc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)ccc1F ZINC000523633043 867656727 /nfs/dbraw/zinc/65/67/27/867656727.db2.gz WBGFRCSUMIDZQI-OAHLLOKOSA-N 1 2 388.393 3.762 20 30 GHEDLO N#Cc1cnc2c(Br)cccc2c1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000440650509 867743606 /nfs/dbraw/zinc/74/36/06/867743606.db2.gz NGNUVHVVTDTTEO-AWEZNQCLSA-N 1 2 394.276 3.955 20 30 GHEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)C[C@@H]1c1ccc(Cl)cc1 ZINC000743358994 868108684 /nfs/dbraw/zinc/10/86/84/868108684.db2.gz YJWVJYJSPPRSBC-HXUWFJFHSA-N 1 2 383.879 3.591 20 30 GHEDLO COCC[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)C[C@@H]1c1ccc(Cl)cc1 ZINC000743358994 868108694 /nfs/dbraw/zinc/10/86/94/868108694.db2.gz YJWVJYJSPPRSBC-HXUWFJFHSA-N 1 2 383.879 3.591 20 30 GHEDLO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000152107990 868352162 /nfs/dbraw/zinc/35/21/62/868352162.db2.gz ANAACUNXFVLGJL-IBGZPJMESA-N 1 2 386.455 3.843 20 30 GHEDLO CCOC(=O)c1ccc(C#N)c(SCc2c[nH+]cn2Cc2ccccc2)n1 ZINC000445609982 868736936 /nfs/dbraw/zinc/73/69/36/868736936.db2.gz ZPWHQRWBCGBBIN-UHFFFAOYSA-N 1 2 378.457 3.667 20 30 GHEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3ccc(C(C)(C)C#N)cc3)CC2)cc1 ZINC000793563572 882272649 /nfs/dbraw/zinc/27/26/49/882272649.db2.gz YHCTUVKJGYEGJQ-UHFFFAOYSA-N 1 2 390.531 3.953 20 30 GHEDLO CC[NH+](CC)[C@@H](C(=O)O[C@H](C)C(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000744995155 869219441 /nfs/dbraw/zinc/21/94/41/869219441.db2.gz ATWTZKXLBFQGOG-OXQOHEQNSA-N 1 2 379.460 3.512 20 30 GHEDLO COc1cc(C[N@H+](C)CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)ccc1O ZINC000746448736 870745691 /nfs/dbraw/zinc/74/56/91/870745691.db2.gz KTOYPHMFBHQMQM-LPYMAVHISA-N 1 2 380.488 3.713 20 30 GHEDLO COc1cc(C[N@@H+](C)CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)ccc1O ZINC000746448736 870745704 /nfs/dbraw/zinc/74/57/04/870745704.db2.gz KTOYPHMFBHQMQM-LPYMAVHISA-N 1 2 380.488 3.713 20 30 GHEDLO CCOC(=O)C[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H](C)c1ccccc1 ZINC001192964743 870819886 /nfs/dbraw/zinc/81/98/86/870819886.db2.gz MTGCDJGVRZTDAP-KRWDZBQOSA-N 1 2 379.460 3.513 20 30 GHEDLO CCOC(=O)C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H](C)c1ccccc1 ZINC001192964743 870819892 /nfs/dbraw/zinc/81/98/92/870819892.db2.gz MTGCDJGVRZTDAP-KRWDZBQOSA-N 1 2 379.460 3.513 20 30 GHEDLO N#Cc1ccccc1Oc1ccccc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000182171081 871938652 /nfs/dbraw/zinc/93/86/52/871938652.db2.gz XKPXFWUMYXOICW-UHFFFAOYSA-N 1 2 384.439 3.708 20 30 GHEDLO C=CCOc1ccc(C[NH2+][C@H](C)c2ncc(Br)cn2)cc1OC ZINC000552083632 872019575 /nfs/dbraw/zinc/01/95/75/872019575.db2.gz QYEHIZANWHBWKD-GFCCVEGCSA-N 1 2 378.270 3.663 20 30 GHEDLO Cc1ccc(C[N@@H+](CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)C(C)C)s1 ZINC000101536008 872073660 /nfs/dbraw/zinc/07/36/60/872073660.db2.gz VBYFYXQKQXHIMD-OAQYLSRUSA-N 1 2 396.516 3.563 20 30 GHEDLO Cc1ccc(C[N@H+](CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)C(C)C)s1 ZINC000101536008 872073682 /nfs/dbraw/zinc/07/36/82/872073682.db2.gz VBYFYXQKQXHIMD-OAQYLSRUSA-N 1 2 396.516 3.563 20 30 GHEDLO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000619039731 872262794 /nfs/dbraw/zinc/26/27/94/872262794.db2.gz YOLPWVNXOKGIRS-OAQYLSRUSA-N 1 2 389.503 3.668 20 30 GHEDLO N#Cc1cc(C(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)ccc1F ZINC000552245443 872302895 /nfs/dbraw/zinc/30/28/95/872302895.db2.gz XFHZHFAPDLCAGA-UHFFFAOYSA-N 1 2 382.826 3.890 20 30 GHEDLO N#CCC1CCN(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000541034947 872803970 /nfs/dbraw/zinc/80/39/70/872803970.db2.gz PYVVKCFCMYQPNN-GOSISDBHSA-N 1 2 392.906 3.951 20 30 GHEDLO C=CCOc1ccc(/C=C\C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1OC ZINC000921146879 882659122 /nfs/dbraw/zinc/65/91/22/882659122.db2.gz KLOPYVIGVJWLAD-XFFZJAGNSA-N 1 2 389.455 3.775 20 30 GHEDLO N#CCOc1cccc(CC(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1 ZINC000794426147 872927821 /nfs/dbraw/zinc/92/78/21/872927821.db2.gz DCPRNDKJYQMTNR-UHFFFAOYSA-N 1 2 387.439 3.937 20 30 GHEDLO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000619734659 872932702 /nfs/dbraw/zinc/93/27/02/872932702.db2.gz IFGBTFSNAHCZND-WIYYLYMNSA-N 1 2 389.503 3.668 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(CC(=O)NC3CCCC3)CC2)c1C ZINC000619737622 872938396 /nfs/dbraw/zinc/93/83/96/872938396.db2.gz UNOIDFJENNIHDD-UHFFFAOYSA-N 1 2 385.552 3.635 20 30 GHEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCOc3cccc(F)c3C1)CCCC2 ZINC000619783007 872997856 /nfs/dbraw/zinc/99/78/56/872997856.db2.gz MJPBKNCLCSHVFV-UHFFFAOYSA-N 1 2 399.491 3.861 20 30 GHEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCOc3cccc(F)c3C1)CCCC2 ZINC000619783007 872997865 /nfs/dbraw/zinc/99/78/65/872997865.db2.gz MJPBKNCLCSHVFV-UHFFFAOYSA-N 1 2 399.491 3.861 20 30 GHEDLO COc1ccc2cc(C[N@H+](C)CCS(=O)(=O)c3ccc(C#N)cc3)ccc2c1 ZINC000478424198 873006286 /nfs/dbraw/zinc/00/62/86/873006286.db2.gz CMIJOHRYSDLMSC-UHFFFAOYSA-N 1 2 394.496 3.626 20 30 GHEDLO COc1ccc2cc(C[N@@H+](C)CCS(=O)(=O)c3ccc(C#N)cc3)ccc2c1 ZINC000478424198 873006306 /nfs/dbraw/zinc/00/63/06/873006306.db2.gz CMIJOHRYSDLMSC-UHFFFAOYSA-N 1 2 394.496 3.626 20 30 GHEDLO C=CC[NH+]1CCN(C(=O)c2ccc(-c3ccccc3OC(F)(F)F)nc2)CC1 ZINC001196796282 873365680 /nfs/dbraw/zinc/36/56/80/873365680.db2.gz YIKMNSHXEXNFIV-UHFFFAOYSA-N 1 2 391.393 3.591 20 30 GHEDLO N#CCOc1cccc(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)c1 ZINC000768969507 873712225 /nfs/dbraw/zinc/71/22/25/873712225.db2.gz SULVHENTFPBIFB-SFTDATJTSA-N 1 2 387.443 3.836 20 30 GHEDLO C[N@H+](Cc1cc(-c2ccccc2)n[nH]1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001198534092 874466037 /nfs/dbraw/zinc/46/60/37/874466037.db2.gz SMKDFHUZSWSTHX-JOCHJYFZSA-N 1 2 385.471 3.576 20 30 GHEDLO C[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001198534092 874466039 /nfs/dbraw/zinc/46/60/39/874466039.db2.gz SMKDFHUZSWSTHX-JOCHJYFZSA-N 1 2 385.471 3.576 20 30 GHEDLO Cc1cnccc1C[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000528427708 874548104 /nfs/dbraw/zinc/54/81/04/874548104.db2.gz ABTWVKQIICMAJU-IBGZPJMESA-N 1 2 385.309 3.535 20 30 GHEDLO C[NH+](C)Cc1nc(CSCCNc2nc3ccccc3cc2C#N)cs1 ZINC001168109428 874902413 /nfs/dbraw/zinc/90/24/13/874902413.db2.gz RNUKNROVYLIRHF-UHFFFAOYSA-N 1 2 383.546 3.970 20 30 GHEDLO N#Cc1ccc(Nc2cncnc2[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(F)c1 ZINC001201555864 875741401 /nfs/dbraw/zinc/74/14/01/875741401.db2.gz OCYKEAWXQXKSPU-NRFANRHFSA-N 1 2 389.434 3.804 20 30 GHEDLO N#Cc1ccc(Nc2cncnc2[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(F)c1 ZINC001201555864 875741413 /nfs/dbraw/zinc/74/14/13/875741413.db2.gz OCYKEAWXQXKSPU-NRFANRHFSA-N 1 2 389.434 3.804 20 30 GHEDLO C[NH+](C)[C@H](CNc1ncc(Br)cc1C#N)c1c(F)cccc1F ZINC000450330034 876268503 /nfs/dbraw/zinc/26/85/03/876268503.db2.gz HXJWBDAPLJOGIB-CQSZACIVSA-N 1 2 381.224 3.709 20 30 GHEDLO N#Cc1ccccc1OCc1ccc(C(=O)NCCCCNc2cccc[nH+]2)o1 ZINC000609155977 876290110 /nfs/dbraw/zinc/29/01/10/876290110.db2.gz FVBUNBNPDFTGOR-UHFFFAOYSA-N 1 2 390.443 3.747 20 30 GHEDLO C[C@H]1CCCC[C@@H]1NC(=O)CO[NH+]=C(N)c1ccc(OCc2ccccc2)cc1 ZINC000109148679 876391880 /nfs/dbraw/zinc/39/18/80/876391880.db2.gz XLVLHDLFFFQNLF-UWJYYQICSA-N 1 2 395.503 3.597 20 30 GHEDLO COCC1(C#N)CCN(c2cc[nH+]c3cc(F)c(Br)cc32)CC1 ZINC000450516763 876551051 /nfs/dbraw/zinc/55/10/51/876551051.db2.gz LKUXYWDJJIOZAS-UHFFFAOYSA-N 1 2 378.245 3.893 20 30 GHEDLO CCOC1CC2(C1)CC[N@H+](CC(=O)Nc1sc3c(c1C#N)CCCCC3)C2 ZINC000285453573 912296012 /nfs/dbraw/zinc/29/60/12/912296012.db2.gz JFCJPOMMNFOZLV-UHFFFAOYSA-N 1 2 387.549 3.718 20 30 GHEDLO CCOC1CC2(C1)CC[N@@H+](CC(=O)Nc1sc3c(c1C#N)CCCCC3)C2 ZINC000285453573 912296028 /nfs/dbraw/zinc/29/60/28/912296028.db2.gz JFCJPOMMNFOZLV-UHFFFAOYSA-N 1 2 387.549 3.718 20 30 GHEDLO COc1ccc(Br)c([C@@H](CO)[N@H+](C)Cc2ccc(CC#N)cc2)c1 ZINC000451464957 878011835 /nfs/dbraw/zinc/01/18/35/878011835.db2.gz VCODVZKQXBFZCU-LJQANCHMSA-N 1 2 389.293 3.689 20 30 GHEDLO COc1ccc(Br)c([C@@H](CO)[N@@H+](C)Cc2ccc(CC#N)cc2)c1 ZINC000451464957 878011848 /nfs/dbraw/zinc/01/18/48/878011848.db2.gz VCODVZKQXBFZCU-LJQANCHMSA-N 1 2 389.293 3.689 20 30 GHEDLO CC(C)(C)[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)Cc1ccsc1 ZINC000852311598 878228543 /nfs/dbraw/zinc/22/85/43/878228543.db2.gz KBZDLAQJERIXEW-INIZCTEOSA-N 1 2 394.500 3.874 20 30 GHEDLO CC(C)(C)[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)Cc1ccsc1 ZINC000852311598 878228556 /nfs/dbraw/zinc/22/85/56/878228556.db2.gz KBZDLAQJERIXEW-INIZCTEOSA-N 1 2 394.500 3.874 20 30 GHEDLO CCc1ccc2c(C[NH+]3CCN(c4ccsc4C#N)CC3)cc(=O)oc2c1 ZINC000852342953 878264906 /nfs/dbraw/zinc/26/49/06/878264906.db2.gz XLDNUZLHEKSBAV-UHFFFAOYSA-N 1 2 379.485 3.611 20 30 GHEDLO COc1ccc(CN2CCc3c2nc[nH+]c3NCc2ccc(C#N)c(F)c2)cc1 ZINC001170089215 878299839 /nfs/dbraw/zinc/29/98/39/878299839.db2.gz HJPJZDKBJIZXNR-UHFFFAOYSA-N 1 2 389.434 3.671 20 30 GHEDLO COC(=O)c1c(C[N@@H+]2CCc3c(CC#N)cccc3C2)c2cc(F)ccc2n1C ZINC001183179812 912334993 /nfs/dbraw/zinc/33/49/93/912334993.db2.gz IMDJVSNIFCXBDH-UHFFFAOYSA-N 1 2 391.446 3.728 20 30 GHEDLO COC(=O)c1c(C[N@H+]2CCc3c(CC#N)cccc3C2)c2cc(F)ccc2n1C ZINC001183179812 912335013 /nfs/dbraw/zinc/33/50/13/912335013.db2.gz IMDJVSNIFCXBDH-UHFFFAOYSA-N 1 2 391.446 3.728 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCOC(C3CC3)(C3CC3)C2)cc1 ZINC000852651585 878496719 /nfs/dbraw/zinc/49/67/19/878496719.db2.gz OWUBCZDIJFTLNK-GOSISDBHSA-N 1 2 381.520 3.521 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCOC(C3CC3)(C3CC3)C2)cc1 ZINC000852651585 878496726 /nfs/dbraw/zinc/49/67/26/878496726.db2.gz OWUBCZDIJFTLNK-GOSISDBHSA-N 1 2 381.520 3.521 20 30 GHEDLO CCN(CCC#N)C(=O)C[N@@H+]1Cc2cc(OC)ccc2C[C@@H]1c1ccccc1 ZINC000177464120 878712468 /nfs/dbraw/zinc/71/24/68/878712468.db2.gz HGJJDQCDEVITMJ-JOCHJYFZSA-N 1 2 377.488 3.557 20 30 GHEDLO CCN(CCC#N)C(=O)C[N@H+]1Cc2cc(OC)ccc2C[C@@H]1c1ccccc1 ZINC000177464120 878712479 /nfs/dbraw/zinc/71/24/79/878712479.db2.gz HGJJDQCDEVITMJ-JOCHJYFZSA-N 1 2 377.488 3.557 20 30 GHEDLO N#CCCCOc1cccc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000180543807 879020847 /nfs/dbraw/zinc/02/08/47/879020847.db2.gz UIAPLQUGJUTQFR-ICSRJNTNSA-N 1 2 386.517 3.755 20 30 GHEDLO N#CCCCOc1cccc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000180543807 879020861 /nfs/dbraw/zinc/02/08/61/879020861.db2.gz UIAPLQUGJUTQFR-ICSRJNTNSA-N 1 2 386.517 3.755 20 30 GHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+]2CC[C@]3(C2)CCCOC3)c1=S ZINC000789547595 879067843 /nfs/dbraw/zinc/06/78/43/879067843.db2.gz WRUWNFMNOWRNCN-NRFANRHFSA-N 1 2 384.549 3.651 20 30 GHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+]2CC[C@]3(C2)CCCOC3)c1=S ZINC000789547595 879067850 /nfs/dbraw/zinc/06/78/50/879067850.db2.gz WRUWNFMNOWRNCN-NRFANRHFSA-N 1 2 384.549 3.651 20 30 GHEDLO N#Cc1ccc(C(=O)N(CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)[nH]1 ZINC000130242892 879112670 /nfs/dbraw/zinc/11/26/70/879112670.db2.gz MKPFQAONDBCFIM-UHFFFAOYSA-N 1 2 385.830 3.608 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cc(F)c(C#N)c(F)c2)[C@H](C)C1 ZINC000597621038 879148424 /nfs/dbraw/zinc/14/84/24/879148424.db2.gz MSDAQPIAXLPLLY-OAHLLOKOSA-N 1 2 399.441 3.582 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cc(F)c(C#N)c(F)c2)[C@H](C)C1 ZINC000597621038 879148433 /nfs/dbraw/zinc/14/84/33/879148433.db2.gz MSDAQPIAXLPLLY-OAHLLOKOSA-N 1 2 399.441 3.582 20 30 GHEDLO CC[C@H]1CN(c2ccccc2)CC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000461364591 879672803 /nfs/dbraw/zinc/67/28/03/879672803.db2.gz WBPSRBXZLARXMK-SFHVURJKSA-N 1 2 382.895 3.751 20 30 GHEDLO CC[C@H]1CN(c2ccccc2)CC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000461364591 879672810 /nfs/dbraw/zinc/67/28/10/879672810.db2.gz WBPSRBXZLARXMK-SFHVURJKSA-N 1 2 382.895 3.751 20 30 GHEDLO CCCC[C@@H](ON=C(C)C)C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000854412915 879793138 /nfs/dbraw/zinc/79/31/38/879793138.db2.gz WDKBIEWLBRGXBS-GOSISDBHSA-N 1 2 380.558 3.579 20 30 GHEDLO C[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000531580895 880152485 /nfs/dbraw/zinc/15/24/85/880152485.db2.gz XOBLEGGQNAJETR-UZLBHIALSA-N 1 2 387.443 3.665 20 30 GHEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000429518544 880336104 /nfs/dbraw/zinc/33/61/04/880336104.db2.gz QCPGQKIRKQNCHQ-UHFFFAOYSA-N 1 2 387.443 3.551 20 30 GHEDLO C=CCOc1c(Br)cc(C[N@H+]2CC=C(COC)CC2)cc1OC ZINC000187620359 881256990 /nfs/dbraw/zinc/25/69/90/881256990.db2.gz UJWOHZZSMSQFEE-UHFFFAOYSA-N 1 2 382.298 3.801 20 30 GHEDLO C=CCOc1c(Br)cc(C[N@@H+]2CC=C(COC)CC2)cc1OC ZINC000187620359 881257004 /nfs/dbraw/zinc/25/70/04/881257004.db2.gz UJWOHZZSMSQFEE-UHFFFAOYSA-N 1 2 382.298 3.801 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CCC[C@H]3c3ccccc3)CC2)cc1 ZINC000609546875 883339808 /nfs/dbraw/zinc/33/98/08/883339808.db2.gz ULQNGCWITXYPSH-GOTSBHOMSA-N 1 2 388.515 3.722 20 30 GHEDLO C[C@H](C#N)Oc1ccc(CN2CCc3c([nH+]cn3CCc3ccccc3)C2)cc1 ZINC000184742776 883363790 /nfs/dbraw/zinc/36/37/90/883363790.db2.gz QLNAVWMTAUYLOG-LJQANCHMSA-N 1 2 386.499 3.975 20 30 GHEDLO N#Cc1ccc(OCc2cccc(C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)c2)cc1 ZINC000609662174 883503766 /nfs/dbraw/zinc/50/37/66/883503766.db2.gz SLWUAGURPIHHNB-NRFANRHFSA-N 1 2 386.455 3.811 20 30 GHEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@H](O)c3ccc(C(F)(F)F)cc3)CCO2)c1 ZINC000761756468 884044572 /nfs/dbraw/zinc/04/45/72/884044572.db2.gz IYIQJWPUTYRVCD-RBUKOAKNSA-N 1 2 376.378 3.684 20 30 GHEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@H](O)c3ccc(C(F)(F)F)cc3)CCO2)c1 ZINC000761756468 884044582 /nfs/dbraw/zinc/04/45/82/884044582.db2.gz IYIQJWPUTYRVCD-RBUKOAKNSA-N 1 2 376.378 3.684 20 30 GHEDLO Cc1nc(C[NH+]2CCC(C(=O)OCc3ccc(C4(C#N)CC4)cc3)CC2)cs1 ZINC000805909707 884193132 /nfs/dbraw/zinc/19/31/32/884193132.db2.gz HKJRKDAIHQABBX-UHFFFAOYSA-N 1 2 395.528 3.962 20 30 GHEDLO CN(Cc1ccc(F)cc1F)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183837159 912840670 /nfs/dbraw/zinc/84/06/70/912840670.db2.gz VQJCOAYYJDPTIC-OAQYLSRUSA-N 1 2 383.442 3.850 20 30 GHEDLO CN(Cc1ccc(F)cc1F)C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183837159 912840678 /nfs/dbraw/zinc/84/06/78/912840678.db2.gz VQJCOAYYJDPTIC-OAQYLSRUSA-N 1 2 383.442 3.850 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)NCCc1cc(F)cc(F)c1 ZINC001183841963 912846667 /nfs/dbraw/zinc/84/66/67/912846667.db2.gz QADRHVJTRIHSRX-OAQYLSRUSA-N 1 2 383.442 3.550 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)NCCc1cc(F)cc(F)c1 ZINC001183841963 912846688 /nfs/dbraw/zinc/84/66/88/912846688.db2.gz QADRHVJTRIHSRX-OAQYLSRUSA-N 1 2 383.442 3.550 20 30 GHEDLO CCOC(=O)C1=C(Nc2cc(C#N)c(Cl)cn2)CC[N@H+](Cc2ccccc2)C1 ZINC001170521737 885370848 /nfs/dbraw/zinc/37/08/48/885370848.db2.gz NDCUWFZNQRKFEW-UHFFFAOYSA-N 1 2 396.878 3.742 20 30 GHEDLO CCOC(=O)C1=C(Nc2cc(C#N)c(Cl)cn2)CC[N@@H+](Cc2ccccc2)C1 ZINC001170521737 885370867 /nfs/dbraw/zinc/37/08/67/885370867.db2.gz NDCUWFZNQRKFEW-UHFFFAOYSA-N 1 2 396.878 3.742 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2ccc(OC)cc2Br)C1=O ZINC001275282624 912943923 /nfs/dbraw/zinc/94/39/23/912943923.db2.gz UZILYUVDRXFSBL-LJQANCHMSA-N 1 2 393.325 3.601 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+]2Cc2ccc(OC)cc2Br)C1=O ZINC001275282624 912943929 /nfs/dbraw/zinc/94/39/29/912943929.db2.gz UZILYUVDRXFSBL-LJQANCHMSA-N 1 2 393.325 3.601 20 30 GHEDLO CCc1cc(Cl)cnc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000861613507 885696594 /nfs/dbraw/zinc/69/65/94/885696594.db2.gz JCDCYDXHIXVJCO-UHFFFAOYSA-N 1 2 383.883 3.519 20 30 GHEDLO COC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)c1ccco1 ZINC000542557064 885719087 /nfs/dbraw/zinc/71/90/87/885719087.db2.gz ZTQNEZXFAAIPRL-SFHVURJKSA-N 1 2 384.480 3.601 20 30 GHEDLO COc1cc(C[N@H+](C)[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc(OC)c1 ZINC000532489932 885826387 /nfs/dbraw/zinc/82/63/87/885826387.db2.gz ZZSNXNDCMIQSNL-CYBMUJFWSA-N 1 2 399.516 3.585 20 30 GHEDLO COc1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc(OC)c1 ZINC000532489932 885826400 /nfs/dbraw/zinc/82/64/00/885826400.db2.gz ZZSNXNDCMIQSNL-CYBMUJFWSA-N 1 2 399.516 3.585 20 30 GHEDLO COc1cc(C=NNc2cc[nH+]c3ccccc23)cc(OC)c1OCC(F)F ZINC000807969335 885876503 /nfs/dbraw/zinc/87/65/03/885876503.db2.gz CIBGDIYPFGHRGQ-UHFFFAOYSA-N 1 2 387.386 3.764 20 30 GHEDLO C[NH+](C)Cc1cnc(/C=C2/COc3c(F)cc(Br)cc3C2=O)s1 ZINC000794703632 887929669 /nfs/dbraw/zinc/92/96/69/887929669.db2.gz WIOJZFQEKPUCJE-OQFOIZHKSA-N 1 2 397.269 3.765 20 30 GHEDLO Cc1cc2cc(CN3CC(=O)C(=C4N(C)c5ccccc5N4C)C3=[NH2+])ccc2[nH]1 ZINC000794716072 887964034 /nfs/dbraw/zinc/96/40/34/887964034.db2.gz XMMSOIGMXDHTNM-UHFFFAOYSA-N 1 2 385.471 3.636 20 30 GHEDLO CC[C@H](C)c1ccc(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000794832806 888281848 /nfs/dbraw/zinc/28/18/48/888281848.db2.gz NGONYXINVKKCBJ-OXJNMPFZSA-N 1 2 378.476 3.559 20 30 GHEDLO CC[C@H](C)c1ccc(NC(=O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000794832806 888281857 /nfs/dbraw/zinc/28/18/57/888281857.db2.gz NGONYXINVKKCBJ-OXJNMPFZSA-N 1 2 378.476 3.559 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCC[C@H](C(F)(F)F)C3)CC2)cc1 ZINC000026296665 888456446 /nfs/dbraw/zinc/45/64/46/888456446.db2.gz CONCMBUUMVHISJ-ZWKOTPCHSA-N 1 2 394.441 3.507 20 30 GHEDLO COCC[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1cccs1 ZINC000532739796 888864177 /nfs/dbraw/zinc/86/41/77/888864177.db2.gz WSQVWIBRWVLWDR-UHFFFAOYSA-N 1 2 381.501 3.948 20 30 GHEDLO COCC[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1cccs1 ZINC000532739796 888864190 /nfs/dbraw/zinc/86/41/90/888864190.db2.gz WSQVWIBRWVLWDR-UHFFFAOYSA-N 1 2 381.501 3.948 20 30 GHEDLO C[C@@H](Cc1ccccc1Cl)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000916644656 889275951 /nfs/dbraw/zinc/27/59/51/889275951.db2.gz WFNYLKJUOJFOTE-KRWDZBQOSA-N 1 2 396.922 3.670 20 30 GHEDLO N#Cc1cccc(OCCC[N@@H+]2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)c1 ZINC000287460442 913351197 /nfs/dbraw/zinc/35/11/97/913351197.db2.gz REXUVBBEAVBBRV-RTBURBONSA-N 1 2 382.464 3.789 20 30 GHEDLO N#Cc1cccc(OCCC[N@H+]2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)c1 ZINC000287460442 913351209 /nfs/dbraw/zinc/35/12/09/913351209.db2.gz REXUVBBEAVBBRV-RTBURBONSA-N 1 2 382.464 3.789 20 30 GHEDLO C[N@H+](CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)Cc1cccc(C#N)c1 ZINC000026331367 890375841 /nfs/dbraw/zinc/37/58/41/890375841.db2.gz ULNDHIZFIKARSQ-UHFFFAOYSA-N 1 2 385.471 3.692 20 30 GHEDLO C[N@@H+](CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)Cc1cccc(C#N)c1 ZINC000026331367 890375856 /nfs/dbraw/zinc/37/58/56/890375856.db2.gz ULNDHIZFIKARSQ-UHFFFAOYSA-N 1 2 385.471 3.692 20 30 GHEDLO C[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@@H]1CCCc2ccccc21 ZINC000917046815 890770377 /nfs/dbraw/zinc/77/03/77/890770377.db2.gz PZSDKJYGOIBZAR-UYAOXDASSA-N 1 2 386.455 3.521 20 30 GHEDLO C[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@@H]1CCCc2ccccc21 ZINC000917046815 890770393 /nfs/dbraw/zinc/77/03/93/890770393.db2.gz PZSDKJYGOIBZAR-UYAOXDASSA-N 1 2 386.455 3.521 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2OCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246842912 891314273 /nfs/dbraw/zinc/31/42/73/891314273.db2.gz QLGYHQUJDPHJHZ-IEBWSBKVSA-N 1 2 387.842 3.557 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)c2ccccc2OCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246842912 891314280 /nfs/dbraw/zinc/31/42/80/891314280.db2.gz QLGYHQUJDPHJHZ-IEBWSBKVSA-N 1 2 387.842 3.557 20 30 GHEDLO C#CCOc1cccc(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)c1 ZINC000124636323 891761718 /nfs/dbraw/zinc/76/17/18/891761718.db2.gz BFETZEPLXFFYGM-YADHBBJMSA-N 1 2 386.455 3.945 20 30 GHEDLO CN(CCC#N)c1ccc(C[NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000125695440 892897069 /nfs/dbraw/zinc/89/70/69/892897069.db2.gz ODYBKQKSVHQFFY-UHFFFAOYSA-N 1 2 396.922 3.648 20 30 GHEDLO C=CCOc1ccccc1C(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000497997510 892907543 /nfs/dbraw/zinc/90/75/43/892907543.db2.gz HHULIAUFNHFLFK-UHFFFAOYSA-N 1 2 380.488 3.608 20 30 GHEDLO Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000562919744 893155154 /nfs/dbraw/zinc/15/51/54/893155154.db2.gz VBTSKSPPQRIPPN-LJQANCHMSA-N 1 2 388.446 3.998 20 30 GHEDLO N#Cc1ccc(NC(=O)NCc2ccccc2C[NH+]2CCOCC2)c(C2CC2)c1 ZINC000933840204 893250636 /nfs/dbraw/zinc/25/06/36/893250636.db2.gz ZZGSNNIBDIHSFI-UHFFFAOYSA-N 1 2 390.487 3.590 20 30 GHEDLO N#Cc1cnc(Cl)c(C[NH+]2CCC([C@H](O)c3cc(F)ccc3F)CC2)c1 ZINC000877584740 893703051 /nfs/dbraw/zinc/70/30/51/893703051.db2.gz XOWGHJKFRKIVGR-SFHVURJKSA-N 1 2 377.822 3.830 20 30 GHEDLO CC(C)c1ccc(Nc2nnc(SC[C@@H](O)C[N@H+](C)CCC#N)s2)cc1 ZINC000563607306 893964446 /nfs/dbraw/zinc/96/44/46/893964446.db2.gz WHNXDHAAIKCDSC-INIZCTEOSA-N 1 2 391.566 3.704 20 30 GHEDLO CC(C)c1ccc(Nc2nnc(SC[C@@H](O)C[N@@H+](C)CCC#N)s2)cc1 ZINC000563607306 893964455 /nfs/dbraw/zinc/96/44/55/893964455.db2.gz WHNXDHAAIKCDSC-INIZCTEOSA-N 1 2 391.566 3.704 20 30 GHEDLO CCOC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000459695432 894087172 /nfs/dbraw/zinc/08/71/72/894087172.db2.gz ATQDJOXRSLGBCL-IAGOWNOFSA-N 1 2 375.538 3.768 20 30 GHEDLO CCOC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000459695432 894087190 /nfs/dbraw/zinc/08/71/90/894087190.db2.gz ATQDJOXRSLGBCL-IAGOWNOFSA-N 1 2 375.538 3.768 20 30 GHEDLO C=C(C)COCCNC(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536930548 894106321 /nfs/dbraw/zinc/10/63/21/894106321.db2.gz YDEJRFCHWOEMAW-MSOLQXFVSA-N 1 2 383.895 3.506 20 30 GHEDLO C=C(C)COCCNC(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536930548 894106324 /nfs/dbraw/zinc/10/63/24/894106324.db2.gz YDEJRFCHWOEMAW-MSOLQXFVSA-N 1 2 383.895 3.506 20 30 GHEDLO C[C@H](CCc1ccc(F)cc1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001135335443 894405981 /nfs/dbraw/zinc/40/59/81/894405981.db2.gz BZBYQDVUHRQBKG-GOSISDBHSA-N 1 2 379.479 3.610 20 30 GHEDLO N#Cc1cccc(COc2cccc(C[N@@H+]3CCOC[C@H]3[C@H]3CCCO3)c2)c1 ZINC000564307981 894845040 /nfs/dbraw/zinc/84/50/40/894845040.db2.gz ZQDHFNJROAJQOH-XZOQPEGZSA-N 1 2 378.472 3.517 20 30 GHEDLO N#Cc1cccc(COc2cccc(C[N@H+]3CCOC[C@H]3[C@H]3CCCO3)c2)c1 ZINC000564307981 894845054 /nfs/dbraw/zinc/84/50/54/894845054.db2.gz ZQDHFNJROAJQOH-XZOQPEGZSA-N 1 2 378.472 3.517 20 30 GHEDLO Cc1csc([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)C2)n1 ZINC000880007193 895443740 /nfs/dbraw/zinc/44/37/40/895443740.db2.gz DIZZJPYNUSRHQW-OLZOCXBDSA-N 1 2 386.546 3.690 20 30 GHEDLO Cc1csc([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)C2)n1 ZINC000880007193 895443749 /nfs/dbraw/zinc/44/37/49/895443749.db2.gz DIZZJPYNUSRHQW-OLZOCXBDSA-N 1 2 386.546 3.690 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)NCC2(CC#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000565399340 895595428 /nfs/dbraw/zinc/59/54/28/895595428.db2.gz HZPIIDFBQUJWRZ-DLBZAZTESA-N 1 2 378.879 3.607 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)NCC2(CC#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000565399340 895595440 /nfs/dbraw/zinc/59/54/40/895595440.db2.gz HZPIIDFBQUJWRZ-DLBZAZTESA-N 1 2 378.879 3.607 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)Nc2cccc(CC#N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000881148458 896199534 /nfs/dbraw/zinc/19/95/34/896199534.db2.gz ZIYMHUHEYMPRLG-FUHWJXTLSA-N 1 2 387.846 3.507 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)Nc2cccc(CC#N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000881148458 896199542 /nfs/dbraw/zinc/19/95/42/896199542.db2.gz ZIYMHUHEYMPRLG-FUHWJXTLSA-N 1 2 387.846 3.507 20 30 GHEDLO C[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000566300288 896224849 /nfs/dbraw/zinc/22/48/49/896224849.db2.gz FZYXAGRFXDBEKP-QZTJIDSGSA-N 1 2 392.242 3.863 20 30 GHEDLO C[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000566300288 896224858 /nfs/dbraw/zinc/22/48/58/896224858.db2.gz FZYXAGRFXDBEKP-QZTJIDSGSA-N 1 2 392.242 3.863 20 30 GHEDLO C=C[C@@](C)(CC)c1nc(-c2ccc(N3CCN(c4cccc[nH+]4)CC3)nc2)no1 ZINC000566587306 896396952 /nfs/dbraw/zinc/39/69/52/896396952.db2.gz ROELKFYKOUQKQU-QFIPXVFZSA-N 1 2 390.491 3.707 20 30 GHEDLO CC(C)[N@H+](CCC#N)Cc1cc(Br)cc(Br)c1N ZINC000569060695 898308579 /nfs/dbraw/zinc/30/85/79/898308579.db2.gz PBHOWDWPAJRARZ-UHFFFAOYSA-N 1 2 375.108 3.918 20 30 GHEDLO CC(C)[N@@H+](CCC#N)Cc1cc(Br)cc(Br)c1N ZINC000569060695 898308589 /nfs/dbraw/zinc/30/85/89/898308589.db2.gz PBHOWDWPAJRARZ-UHFFFAOYSA-N 1 2 375.108 3.918 20 30 GHEDLO N#CCCN(C(=O)C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1)c1cccc(Cl)c1 ZINC000569412842 898636359 /nfs/dbraw/zinc/63/63/59/898636359.db2.gz MMRBMPJAWGYAKG-UYAOXDASSA-N 1 2 387.911 3.620 20 30 GHEDLO N#CCCN(C(=O)C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1)c1cccc(Cl)c1 ZINC000569412842 898636365 /nfs/dbraw/zinc/63/63/65/898636365.db2.gz MMRBMPJAWGYAKG-UYAOXDASSA-N 1 2 387.911 3.620 20 30 GHEDLO N#CC1(CNC(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)CC1 ZINC000569769126 898937928 /nfs/dbraw/zinc/93/79/28/898937928.db2.gz FVQUCTGQWYFJKH-UHFFFAOYSA-N 1 2 398.507 3.685 20 30 GHEDLO C=CCn1c(-c2ccccc2F)nn(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1=S ZINC000884482400 900125701 /nfs/dbraw/zinc/12/57/01/900125701.db2.gz AVSOSRJETPUXSY-CRAIPNDOSA-N 1 2 388.512 3.865 20 30 GHEDLO C=CCn1c(-c2ccccc2F)nn(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1=S ZINC000884482400 900125705 /nfs/dbraw/zinc/12/57/05/900125705.db2.gz AVSOSRJETPUXSY-CRAIPNDOSA-N 1 2 388.512 3.865 20 30 GHEDLO CC(C)(C(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1cc(F)cc(C#N)c1 ZINC000572417335 900177051 /nfs/dbraw/zinc/17/70/51/900177051.db2.gz IONVEPLVMCJJNX-UHFFFAOYSA-N 1 2 382.483 3.890 20 30 GHEDLO C[C@H](CC(=O)OC[C@H](C#N)Cc1cccc(Br)c1)n1cc[nH+]c1 ZINC000845536553 902235732 /nfs/dbraw/zinc/23/57/32/902235732.db2.gz XDDDHFCRKIQYPN-HIFRSBDPSA-N 1 2 376.254 3.522 20 30 GHEDLO C[C@H](CC(=O)OC[C@@H](C#N)Cc1ccccc1Br)n1cc[nH+]c1 ZINC000845542946 902236742 /nfs/dbraw/zinc/23/67/42/902236742.db2.gz XXBPAKOJWLCYHB-ZIAGYGMSSA-N 1 2 376.254 3.522 20 30 GHEDLO COc1cc(Cl)c(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1C ZINC000577419695 902755917 /nfs/dbraw/zinc/75/59/17/902755917.db2.gz LBTCKESRTZJOMH-UHFFFAOYSA-N 1 2 398.894 3.878 20 30 GHEDLO C[C@@H](NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)c1ccc(C#N)cc1 ZINC000264206438 902920611 /nfs/dbraw/zinc/92/06/11/902920611.db2.gz FYDJYRKQXGOOAJ-SJORKVTESA-N 1 2 378.476 3.834 20 30 GHEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc2cc(Cl)ccc2nc1Cl ZINC000846811066 903232752 /nfs/dbraw/zinc/23/27/52/903232752.db2.gz JHKBLRQVVJRPEM-UHFFFAOYSA-N 1 2 393.318 3.589 20 30 GHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N(CCC#N)Cc3ccco3)n2)C1 ZINC000265208420 903719810 /nfs/dbraw/zinc/71/98/10/903719810.db2.gz TXWJQPPJPSBEMJ-HNNXBMFYSA-N 1 2 387.509 3.916 20 30 GHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N(CCC#N)Cc3ccco3)n2)C1 ZINC000265208420 903719822 /nfs/dbraw/zinc/71/98/22/903719822.db2.gz TXWJQPPJPSBEMJ-HNNXBMFYSA-N 1 2 387.509 3.916 20 30 GHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CC[C@@H](OC(C)C)C2)c1C#N ZINC000579106480 904353497 /nfs/dbraw/zinc/35/34/97/904353497.db2.gz TVFDWBFQXMCAGX-LJQANCHMSA-N 1 2 386.540 3.920 20 30 GHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@@H](OC(C)C)C2)c1C#N ZINC000579106480 904353513 /nfs/dbraw/zinc/35/35/13/904353513.db2.gz TVFDWBFQXMCAGX-LJQANCHMSA-N 1 2 386.540 3.920 20 30 GHEDLO COC(=O)c1ccc(C[C@@H](C)[NH2+]CC(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC001173709080 906659800 /nfs/dbraw/zinc/65/98/00/906659800.db2.gz LFARBTABLDMGLV-SECBINFHSA-N 1 2 375.284 3.827 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+]2Cc2cccc(F)c2Br)C1=O ZINC001276007953 921271565 /nfs/dbraw/zinc/27/15/65/921271565.db2.gz HUFBUDQTKDWFMM-GOSISDBHSA-N 1 2 381.289 3.731 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2cccc(F)c2Br)C1=O ZINC001276007953 921271570 /nfs/dbraw/zinc/27/15/70/921271570.db2.gz HUFBUDQTKDWFMM-GOSISDBHSA-N 1 2 381.289 3.731 20 30 GHEDLO CC(C)[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)Cc1ccc(F)cc1 ZINC000299406793 921308206 /nfs/dbraw/zinc/30/82/06/921308206.db2.gz XYWKDCGYTWXAAU-GOSISDBHSA-N 1 2 392.434 3.561 20 30 GHEDLO CC(C)[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)Cc1ccc(F)cc1 ZINC000299406793 921308207 /nfs/dbraw/zinc/30/82/07/921308207.db2.gz XYWKDCGYTWXAAU-GOSISDBHSA-N 1 2 392.434 3.561 20 30 GHEDLO C[C@@H](C#N)OCCSc1nnc([C@H](C)[NH+]2CCCCC2)n1-c1ccccc1 ZINC000801655626 921361539 /nfs/dbraw/zinc/36/15/39/921361539.db2.gz FZDGUCYEGPKTSQ-IRXDYDNUSA-N 1 2 385.537 3.835 20 30 GHEDLO COc1cc[nH+]cc1Nc1ncc(Br)nc1C#C[Si](C)(C)C ZINC001176118954 907947554 /nfs/dbraw/zinc/94/75/54/907947554.db2.gz RDMQCBRKHUKVLX-UHFFFAOYSA-N 1 2 377.318 3.615 20 30 GHEDLO C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000191450718 908627780 /nfs/dbraw/zinc/62/77/80/908627780.db2.gz PNBGDUVUCNIISP-UHFFFAOYSA-N 1 2 379.508 3.991 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(OC)c(Br)c2)c1 ZINC000193947095 908814269 /nfs/dbraw/zinc/81/42/69/908814269.db2.gz HMTMUNLIOVVCEC-UHFFFAOYSA-N 1 2 387.277 3.510 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(OC)c(Br)c2)c1 ZINC000193947095 908814286 /nfs/dbraw/zinc/81/42/86/908814286.db2.gz HMTMUNLIOVVCEC-UHFFFAOYSA-N 1 2 387.277 3.510 20 30 GHEDLO CCCCc1noc([C@@H](C)[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000299591868 921489774 /nfs/dbraw/zinc/48/97/74/921489774.db2.gz DMVKNYOOORXTRD-OAHLLOKOSA-N 1 2 381.480 3.696 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000366480671 921643587 /nfs/dbraw/zinc/64/35/87/921643587.db2.gz JPKPYVIMTQYNDU-WMZOPIPTSA-N 1 2 387.549 3.625 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000366480671 921643594 /nfs/dbraw/zinc/64/35/94/921643594.db2.gz JPKPYVIMTQYNDU-WMZOPIPTSA-N 1 2 387.549 3.625 20 30 GHEDLO C[C@H](C#N)Oc1ccc(C[NH+]2CCN(C(=O)Cc3ccccc3Cl)CC2)cc1 ZINC000092534063 911601475 /nfs/dbraw/zinc/60/14/75/911601475.db2.gz LOCCDDULJDJUKC-QGZVFWFLSA-N 1 2 397.906 3.518 20 30 GHEDLO CCCCCCCCNC(=O)N1Cc2c[nH+]cn2C[C@@H](COc2ccccn2)C1 ZINC001191061379 917733401 /nfs/dbraw/zinc/73/34/01/917733401.db2.gz PRLXXGIECNNQKN-IBGZPJMESA-N 1 2 399.539 3.859 20 30 GHEDLO Cc1ccc(SCCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000115071561 919434530 /nfs/dbraw/zinc/43/45/30/919434530.db2.gz DGYKKOCSJGVKAA-UHFFFAOYSA-N 1 2 379.529 3.693 20 30 GHEDLO C/C(=C\C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C[NH+]1CCOCC1 ZINC000900191798 919991230 /nfs/dbraw/zinc/99/12/30/919991230.db2.gz HZTOTXCSAGCTRG-WQEMPZKUSA-N 1 2 375.472 3.559 20 30 GHEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](C[C@H](O)c2ccccc2Cl)CC1 ZINC000800383078 920010127 /nfs/dbraw/zinc/01/01/27/920010127.db2.gz MGLOSOSBUAIPIB-UXHICEINSA-N 1 2 390.314 3.909 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+](Cc3csc(Br)n3)CC2)C1=O ZINC001275964921 920327808 /nfs/dbraw/zinc/32/78/08/920327808.db2.gz XLHXHMCYRZPWFV-KRWDZBQOSA-N 1 2 398.370 3.686 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+](Cc3csc(Br)n3)CC2)C1=O ZINC001275964921 920327821 /nfs/dbraw/zinc/32/78/21/920327821.db2.gz XLHXHMCYRZPWFV-KRWDZBQOSA-N 1 2 398.370 3.686 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(CN2CCc3c([nH+]cn3CC)C2)c1=S ZINC000902550860 922272537 /nfs/dbraw/zinc/27/25/37/922272537.db2.gz KEGMRNFJMFCXNX-UHFFFAOYSA-N 1 2 398.511 3.638 20 30 GHEDLO COc1cc(Br)c(C[NH2+][C@@H](C)c2cc(C#N)ccn2)cc1OC ZINC000902861308 922564528 /nfs/dbraw/zinc/56/45/28/922564528.db2.gz SEVXKLHETBVAMU-NSHDSACASA-N 1 2 376.254 3.584 20 30 GHEDLO CCN(C(=O)c1sccc1C#N)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000369590240 923464326 /nfs/dbraw/zinc/46/43/26/923464326.db2.gz CTDCVSMSXKQASI-UHFFFAOYSA-N 1 2 397.548 3.973 20 30 GHEDLO C=C(C)C[N@@H+](C)Cc1ccc(Br)cc1SCCS(C)(=O)=O ZINC000753569089 923465047 /nfs/dbraw/zinc/46/50/47/923465047.db2.gz FCHQFLONCVYACW-UHFFFAOYSA-N 1 2 392.384 3.594 20 30 GHEDLO C=C(C)C[N@H+](C)Cc1ccc(Br)cc1SCCS(C)(=O)=O ZINC000753569089 923465058 /nfs/dbraw/zinc/46/50/58/923465058.db2.gz FCHQFLONCVYACW-UHFFFAOYSA-N 1 2 392.384 3.594 20 30 GHEDLO Cc1sc2nc([C@@H](C)[NH+]3CCC(C#N)(c4ccccn4)CC3)nc(N)c2c1C ZINC000370316666 924030696 /nfs/dbraw/zinc/03/06/96/924030696.db2.gz SRYPOYRWCQSAMY-CQSZACIVSA-N 1 2 392.532 3.904 20 30 GHEDLO COc1c(Br)cccc1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000370532542 924151403 /nfs/dbraw/zinc/15/14/03/924151403.db2.gz BCSIWHRRGBAMBA-UHFFFAOYSA-N 1 2 386.293 3.910 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2ccc(OC)c(Br)c2)C1=O ZINC001276100806 925679283 /nfs/dbraw/zinc/67/92/83/925679283.db2.gz OZJSGJFFIDXZNM-LJQANCHMSA-N 1 2 393.325 3.601 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+]2Cc2ccc(OC)c(Br)c2)C1=O ZINC001276100806 925679287 /nfs/dbraw/zinc/67/92/87/925679287.db2.gz OZJSGJFFIDXZNM-LJQANCHMSA-N 1 2 393.325 3.601 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)Cc1cn2c([nH+]1)CCCC2 ZINC000372990626 925803805 /nfs/dbraw/zinc/80/38/05/925803805.db2.gz QIVDQGOQXDSAJI-MRXNPFEDSA-N 1 2 397.548 3.684 20 30 GHEDLO COC(=O)c1nc([C@H]2CCC[N@@H+]2Cc2ccc(O[C@@H](C)C#N)cc2)sc1C ZINC000373489837 926186834 /nfs/dbraw/zinc/18/68/34/926186834.db2.gz MWTFLGQJYVSXRV-SUMWQHHRSA-N 1 2 385.489 3.866 20 30 GHEDLO COC(=O)c1nc([C@H]2CCC[N@H+]2Cc2ccc(O[C@@H](C)C#N)cc2)sc1C ZINC000373489837 926186842 /nfs/dbraw/zinc/18/68/42/926186842.db2.gz MWTFLGQJYVSXRV-SUMWQHHRSA-N 1 2 385.489 3.866 20 30 GHEDLO CN1CC[NH+](Cc2cccc(NC(=S)Nc3ccc(C#N)c(Cl)c3)c2)CC1 ZINC000726478545 926694605 /nfs/dbraw/zinc/69/46/05/926694605.db2.gz NEOZWFCLINNOEV-UHFFFAOYSA-N 1 2 399.951 3.768 20 30 GHEDLO C=CCn1c(-c2ccccc2F)nn(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1=S ZINC000749798420 927277859 /nfs/dbraw/zinc/27/78/59/927277859.db2.gz HLKWQZCRPTVZSB-JKSUJKDBSA-N 1 2 388.512 3.722 20 30 GHEDLO C=CCn1c(-c2ccccc2F)nn(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1=S ZINC000749798420 927277875 /nfs/dbraw/zinc/27/78/75/927277875.db2.gz HLKWQZCRPTVZSB-JKSUJKDBSA-N 1 2 388.512 3.722 20 30 GHEDLO Cn1cc([C@H]([NH2+]Cc2cc(C#N)ccc2Br)c2ccccc2)cn1 ZINC000375426594 928290998 /nfs/dbraw/zinc/29/09/98/928290998.db2.gz JGYUUOITUJBYLR-LJQANCHMSA-N 1 2 381.277 3.933 20 30 GHEDLO COc1c(C)c[nH+]c(CNC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1C ZINC000752008873 928549502 /nfs/dbraw/zinc/54/95/02/928549502.db2.gz AFGKSMTZGOFMAF-ICSRJNTNSA-N 1 2 378.476 3.688 20 30 GHEDLO Cc1cc(-c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)nn1-c1cccc(C#N)c1 ZINC000544715517 929485479 /nfs/dbraw/zinc/48/54/79/929485479.db2.gz DBRUFHUISDNUML-UHFFFAOYSA-N 1 2 393.410 3.955 20 30 GHEDLO COc1ccc(N2CC[NH+](Cc3cc(Cl)ccc3OCC#N)CC2)cc1F ZINC000753862413 929568548 /nfs/dbraw/zinc/56/85/48/929568548.db2.gz ZKRZPHPQZKYSGH-UHFFFAOYSA-N 1 2 389.858 3.712 20 30 GHEDLO COc1cc(OC)cc(Oc2ccc(C=NNC3=[NH+][C@H]4CCCC[C@@H]4N3)cc2)c1 ZINC000753929761 929597693 /nfs/dbraw/zinc/59/76/93/929597693.db2.gz RWSHAQFQGDCJNB-SFTDATJTSA-N 1 2 394.475 3.690 20 30 GHEDLO N#Cc1cccc(N2CC[NH+](Cc3cc(-c4ccc(Cl)cc4)no3)CC2)n1 ZINC000546213160 929963803 /nfs/dbraw/zinc/96/38/03/929963803.db2.gz OQKKQFSORMHOQF-UHFFFAOYSA-N 1 2 379.851 3.584 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(C)(NC(=O)OC(C)(C)C)CC2)c1C ZINC000781974257 931048519 /nfs/dbraw/zinc/04/85/19/931048519.db2.gz JSDBMYGTXZUJRJ-UHFFFAOYSA-N 1 2 389.540 3.853 20 30 GHEDLO CC(C)N(C(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1)C(C)C ZINC000471003058 931088611 /nfs/dbraw/zinc/08/86/11/931088611.db2.gz CPYADXJKPBWMLI-YLJYHZDGSA-N 1 2 390.959 3.556 20 30 GHEDLO C#CCN(C(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1)C1CCCC1 ZINC000782761349 931328366 /nfs/dbraw/zinc/32/83/66/931328366.db2.gz TVXFBSOGTRWHNM-AZUAARDMSA-N 1 2 393.453 3.827 20 30 GHEDLO C#CCN(C(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1)C1CCCC1 ZINC000782761349 931328375 /nfs/dbraw/zinc/32/83/75/931328375.db2.gz TVXFBSOGTRWHNM-AZUAARDMSA-N 1 2 393.453 3.827 20 30 GHEDLO CC[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1cccc(C#N)c1O ZINC000924758801 931527017 /nfs/dbraw/zinc/52/70/17/931527017.db2.gz BCFINLCBQYNPIJ-QFIPXVFZSA-N 1 2 379.504 3.713 20 30 GHEDLO Cc1cc(Br)cn2c(C=CC(=O)c3ccc4[nH]c(=O)[nH]c4c3)c[nH+]c12 ZINC000783706582 931624398 /nfs/dbraw/zinc/62/43/98/931624398.db2.gz RDCGFHURMOJWPM-HYXAFXHYSA-N 1 2 397.232 3.883 20 30 GHEDLO CCCCCCC[C@@]1(C)NC(=O)N(N=Cc2cc(-n3cc[nH+]c3)cs2)C1=O ZINC000783813009 931664840 /nfs/dbraw/zinc/66/48/40/931664840.db2.gz XEAOVBSTBDUXJA-LJQANCHMSA-N 1 2 387.509 3.939 20 30 GHEDLO Cc1cc(Br)cn2c(CN=Nc3cc(Cl)nc(C)n3)c[nH+]c12 ZINC000783849431 931690036 /nfs/dbraw/zinc/69/00/36/931690036.db2.gz LKGASCIDJQDRPV-UHFFFAOYSA-N 1 2 379.649 3.603 20 30 GHEDLO C#CC[C@H]([NH2+][C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21)c1ccccc1 ZINC000925635897 931845838 /nfs/dbraw/zinc/84/58/38/931845838.db2.gz UVEDBPHZIRPDAF-RBUKOAKNSA-N 1 2 392.503 3.628 20 30 GHEDLO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@H](C)c1noc(-c2ccccc2)n1 ZINC000558409294 931984751 /nfs/dbraw/zinc/98/47/51/931984751.db2.gz RHQOARGIERWVPV-APWZRJJASA-N 1 2 379.460 3.556 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000558506437 932041188 /nfs/dbraw/zinc/04/11/88/932041188.db2.gz OGHNWOKBGQUOAM-HUUCEWRRSA-N 1 2 390.471 3.695 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000558506437 932041194 /nfs/dbraw/zinc/04/11/94/932041194.db2.gz OGHNWOKBGQUOAM-HUUCEWRRSA-N 1 2 390.471 3.695 20 30 GHEDLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C)c(C#N)c1 ZINC000799354035 932962604 /nfs/dbraw/zinc/96/26/04/932962604.db2.gz ZANABXQQJUXKHB-HXOBKFHXSA-N 1 2 390.531 3.943 20 30 GHEDLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C)c(C#N)c1 ZINC000799354035 932962612 /nfs/dbraw/zinc/96/26/12/932962612.db2.gz ZANABXQQJUXKHB-HXOBKFHXSA-N 1 2 390.531 3.943 20 30 GHEDLO Cc1nc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)nc2ccccc12 ZINC000560501670 933295147 /nfs/dbraw/zinc/29/51/47/933295147.db2.gz RAMNFFVCNDBYNQ-UHFFFAOYSA-N 1 2 376.435 3.992 20 30 GHEDLO C#C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1Cc1cccnc1)c1ccc(Cl)cc1F ZINC001117291165 933920770 /nfs/dbraw/zinc/92/07/70/933920770.db2.gz XFJKPJZOEGRPCL-WOJBJXKFSA-N 1 2 385.870 3.719 20 30 GHEDLO C#C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1cccnc1)c1ccc(Cl)cc1F ZINC001117291165 933920775 /nfs/dbraw/zinc/92/07/75/933920775.db2.gz XFJKPJZOEGRPCL-WOJBJXKFSA-N 1 2 385.870 3.719 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCCc2sccc2C1 ZINC001121584129 934706957 /nfs/dbraw/zinc/70/69/57/934706957.db2.gz HQPHBRVEKHRYCZ-UHFFFAOYSA-N 1 2 396.564 3.571 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@H](c2ccccc2)[C@@H]1C ZINC001121799886 934767480 /nfs/dbraw/zinc/76/74/80/934767480.db2.gz BTBUMUNYHFSOCQ-RXVVDRJESA-N 1 2 392.551 3.773 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(c2ccn(C)n2)CC1 ZINC000932144254 934833819 /nfs/dbraw/zinc/83/38/19/934833819.db2.gz NRRGYWLTSKEBJJ-MRXNPFEDSA-N 1 2 397.548 3.632 20 30 GHEDLO N#Cc1ccc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1C(F)(F)F ZINC000562425290 934859196 /nfs/dbraw/zinc/85/91/96/934859196.db2.gz GCRKMCSTKNDPPH-OAHLLOKOSA-N 1 2 376.338 3.657 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N(Cc1ccc(C)nc1)CC1CC1 ZINC001122529454 934890744 /nfs/dbraw/zinc/89/07/44/934890744.db2.gz CTVDQIOMYPGJMB-FQEVSTJZSA-N 1 2 380.540 3.741 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N(Cc1ccc(C)nc1)CC1CC1 ZINC001122529454 934890751 /nfs/dbraw/zinc/89/07/51/934890751.db2.gz CTVDQIOMYPGJMB-FQEVSTJZSA-N 1 2 380.540 3.741 20 30 GHEDLO C=C(C)Cn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC(OC)CC1 ZINC001122528936 934890800 /nfs/dbraw/zinc/89/08/00/934890800.db2.gz VBSJVJVBKYANTB-GOSISDBHSA-N 1 2 383.540 3.662 20 30 GHEDLO C=C(C)Cn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC(OC)CC1 ZINC001122528936 934890806 /nfs/dbraw/zinc/89/08/06/934890806.db2.gz VBSJVJVBKYANTB-GOSISDBHSA-N 1 2 383.540 3.662 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](N3Cc4ccccc4C3=O)C2)c(Br)c1 ZINC001137640114 935655900 /nfs/dbraw/zinc/65/59/00/935655900.db2.gz RYOLRTGLRURJRM-KRWDZBQOSA-N 1 2 396.288 3.551 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CC[C@H](N3Cc4ccccc4C3=O)C2)c(Br)c1 ZINC001137640114 935655902 /nfs/dbraw/zinc/65/59/02/935655902.db2.gz RYOLRTGLRURJRM-KRWDZBQOSA-N 1 2 396.288 3.551 20 30 GHEDLO N#Cc1cccc(N2C[C@]3(CC[N@@H+](Cc4cc(F)c(F)cc4F)C3)CC2=O)c1 ZINC001137889508 935848230 /nfs/dbraw/zinc/84/82/30/935848230.db2.gz DPQGCJAVHMWJIS-OAQYLSRUSA-N 1 2 385.389 3.605 20 30 GHEDLO N#Cc1cccc(N2C[C@]3(CC[N@H+](Cc4cc(F)c(F)cc4F)C3)CC2=O)c1 ZINC001137889508 935848234 /nfs/dbraw/zinc/84/82/34/935848234.db2.gz DPQGCJAVHMWJIS-OAQYLSRUSA-N 1 2 385.389 3.605 20 30 GHEDLO C=CCC(C)(C)C(=O)Nc1ccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC001144073346 1014959215 /nfs/dbraw/zinc/95/92/15/1014959215.db2.gz VUXZSAAREOJOQR-UHFFFAOYSA-N 1 2 392.503 3.585 20 30 GHEDLO Cc1nc(N2CCN(C(=O)Nc3cccc(C#Cc4ccccc4)c3)CC2)cc[nH+]1 ZINC000545420834 1015860398 /nfs/dbraw/zinc/86/03/98/1015860398.db2.gz NKMMFSYWLGACEL-UHFFFAOYSA-N 1 2 397.482 3.539 20 30 GHEDLO Cc1c(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cccc1[N+](=O)[O-] ZINC000471020479 1016943134 /nfs/dbraw/zinc/94/31/34/1016943134.db2.gz GAZFHVUJAFUOQD-HXUWFJFHSA-N 1 2 384.867 3.939 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(CCC#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000932567246 1018467838 /nfs/dbraw/zinc/46/78/38/1018467838.db2.gz SIBVTADEVBFBJA-WOJBJXKFSA-N 1 2 384.430 3.988 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(CCC#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000932567246 1018467840 /nfs/dbraw/zinc/46/78/40/1018467840.db2.gz SIBVTADEVBFBJA-WOJBJXKFSA-N 1 2 384.430 3.988 20 30 GHEDLO C#Cc1ccc(Nc2cccc(C[NH+]3CCN(C(=O)OC(C)(C)C)CC3)c2)cn1 ZINC001204330023 1032773988 /nfs/dbraw/zinc/77/39/88/1032773988.db2.gz CRAZEGVOEKJBNH-UHFFFAOYSA-N 1 2 392.503 3.859 20 30 GHEDLO CCc1nc([C@H](C)[NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)cs1 ZINC000754790518 1022897846 /nfs/dbraw/zinc/89/78/46/1022897846.db2.gz FKEIDFPQUZIOLW-GXTWGEPZSA-N 1 2 377.473 3.593 20 30 GHEDLO Cc1nc(NCC2([NH+](Cc3ccccc3)Cc3ccccc3)COC2)cnc1C#N ZINC001156585808 1033116385 /nfs/dbraw/zinc/11/63/85/1033116385.db2.gz ARJRBGLIKLYYSL-UHFFFAOYSA-N 1 2 399.498 3.540 20 30 GHEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2cc(C)c(F)cc2Br)C1=O ZINC001277332747 1033118434 /nfs/dbraw/zinc/11/84/34/1033118434.db2.gz ZQQWUKXJWGYYOV-GOSISDBHSA-N 1 2 381.289 3.650 20 30 GHEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2cc(C)c(F)cc2Br)C1=O ZINC001277332747 1033118442 /nfs/dbraw/zinc/11/84/42/1033118442.db2.gz ZQQWUKXJWGYYOV-GOSISDBHSA-N 1 2 381.289 3.650 20 30 GHEDLO C=CCn1c([C@H]2COc3ccccc3O2)nn(C[N@H+]2CC[C@@H](CC)C2)c1=S ZINC000755925417 1023438473 /nfs/dbraw/zinc/43/84/73/1023438473.db2.gz PDIGVFHFHFWRRG-CRAIPNDOSA-N 1 2 386.521 3.802 20 30 GHEDLO C=CCn1c([C@H]2COc3ccccc3O2)nn(C[N@@H+]2CC[C@@H](CC)C2)c1=S ZINC000755925417 1023438479 /nfs/dbraw/zinc/43/84/79/1023438479.db2.gz PDIGVFHFHFWRRG-CRAIPNDOSA-N 1 2 386.521 3.802 20 30 GHEDLO C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1sc(N)c(C#N)c1Cl ZINC001141114539 1023531610 /nfs/dbraw/zinc/53/16/10/1023531610.db2.gz SHCWKGRBYWUNBC-WDEREUQCSA-N 1 2 384.933 3.733 20 30 GHEDLO C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1sc(N)c(C#N)c1Cl ZINC001141114539 1023531616 /nfs/dbraw/zinc/53/16/16/1023531616.db2.gz SHCWKGRBYWUNBC-WDEREUQCSA-N 1 2 384.933 3.733 20 30 GHEDLO N#Cc1ccsc1NC(=O)C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000756903818 1023855467 /nfs/dbraw/zinc/85/54/67/1023855467.db2.gz NYPWNCPJMQPCBP-GOSISDBHSA-N 1 2 397.525 3.856 20 30 GHEDLO N#Cc1ccsc1NC(=O)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000756903818 1023855476 /nfs/dbraw/zinc/85/54/76/1023855476.db2.gz NYPWNCPJMQPCBP-GOSISDBHSA-N 1 2 397.525 3.856 20 30 GHEDLO N#Cc1cc(I)c(Nc2ccn3cc[nH+]c3c2)cc1F ZINC001204998352 1033200710 /nfs/dbraw/zinc/20/07/10/1033200710.db2.gz XKXGALFQNMKABF-UHFFFAOYSA-N 1 2 378.148 3.693 20 30 GHEDLO C=CCOc1c(Cl)cc(C[NH+]2CCN(c3ccc(O)cc3)CC2)cc1OC ZINC001205046014 1033223889 /nfs/dbraw/zinc/22/38/89/1033223889.db2.gz IGRPYSJRUWJRHR-UHFFFAOYSA-N 1 2 388.895 3.941 20 30 GHEDLO CN(CC1CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1)C(=O)OC(C)(C)C ZINC000838819865 1025387767 /nfs/dbraw/zinc/38/77/67/1025387767.db2.gz PDOBXMQJPOCKCI-UHFFFAOYSA-N 1 2 388.468 3.545 20 30 GHEDLO CC(C)(C)OC(=O)O[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC001141654792 1026092206 /nfs/dbraw/zinc/09/22/06/1026092206.db2.gz KGYJNAFWSSNIGV-AWEZNQCLSA-N 1 2 381.270 3.847 20 30 GHEDLO CC(C)(C)OC(=O)O[C@H]1CC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC001141654792 1026092193 /nfs/dbraw/zinc/09/21/93/1026092193.db2.gz KGYJNAFWSSNIGV-AWEZNQCLSA-N 1 2 381.270 3.847 20 30 GHEDLO N#CCOc1ccc(Cl)cc1C[N@@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000839644091 1026153669 /nfs/dbraw/zinc/15/36/69/1026153669.db2.gz NVRIRIGCDGZOIB-NRFANRHFSA-N 1 2 382.847 3.852 20 30 GHEDLO N#CCOc1ccc(Cl)cc1C[N@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000839644091 1026153672 /nfs/dbraw/zinc/15/36/72/1026153672.db2.gz NVRIRIGCDGZOIB-NRFANRHFSA-N 1 2 382.847 3.852 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCO[C@]3(CCC[C@H]3COCc3cccnc3)C2)cc1F ZINC001139527481 1026385206 /nfs/dbraw/zinc/38/52/06/1026385206.db2.gz CXBXPKKHTKKJKI-JTHBVZDNSA-N 1 2 395.478 3.680 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCO[C@]3(CCC[C@H]3COCc3cccnc3)C2)cc1F ZINC001139527481 1026385219 /nfs/dbraw/zinc/38/52/19/1026385219.db2.gz CXBXPKKHTKKJKI-JTHBVZDNSA-N 1 2 395.478 3.680 20 30 GHEDLO CC[N@@H+](Cc1cccc(Cl)c1C#N)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001139693255 1026544670 /nfs/dbraw/zinc/54/46/70/1026544670.db2.gz WOCUGJKNUYJOOM-FQEVSTJZSA-N 1 2 383.923 3.935 20 30 GHEDLO CC[N@H+](Cc1cccc(Cl)c1C#N)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001139693255 1026544687 /nfs/dbraw/zinc/54/46/87/1026544687.db2.gz WOCUGJKNUYJOOM-FQEVSTJZSA-N 1 2 383.923 3.935 20 30 GHEDLO CCOC[C@@H]1C[N@H+](Cc2c[nH]c3c2cccc3C#N)Cc2c1cnn2CC1CC1 ZINC001139702071 1026546910 /nfs/dbraw/zinc/54/69/10/1026546910.db2.gz WZSZAIBNRKSSMV-IBGZPJMESA-N 1 2 389.503 3.782 20 30 GHEDLO CCOC[C@@H]1C[N@@H+](Cc2c[nH]c3c2cccc3C#N)Cc2c1cnn2CC1CC1 ZINC001139702071 1026546915 /nfs/dbraw/zinc/54/69/15/1026546915.db2.gz WZSZAIBNRKSSMV-IBGZPJMESA-N 1 2 389.503 3.782 20 30 GHEDLO CC(C)COC[C@H]1C[N@H+](Cc2c[nH]c3c2cccc3C#N)Cc2ncn(C)c21 ZINC001139702330 1026547020 /nfs/dbraw/zinc/54/70/20/1026547020.db2.gz AIOJYTSDZUWOEU-GOSISDBHSA-N 1 2 377.492 3.545 20 30 GHEDLO CC(C)COC[C@H]1C[N@@H+](Cc2c[nH]c3c2cccc3C#N)Cc2ncn(C)c21 ZINC001139702330 1026547025 /nfs/dbraw/zinc/54/70/25/1026547025.db2.gz AIOJYTSDZUWOEU-GOSISDBHSA-N 1 2 377.492 3.545 20 30 GHEDLO C=CCOC[C@@H]1C[N@H+](Cc2cncc3ccccc32)Cc2nnn(CC3CC3)c21 ZINC001139896077 1026712165 /nfs/dbraw/zinc/71/21/65/1026712165.db2.gz QMPRAVMBSXHXRC-FQEVSTJZSA-N 1 2 389.503 3.538 20 30 GHEDLO C=CCOC[C@@H]1C[N@@H+](Cc2cncc3ccccc32)Cc2nnn(CC3CC3)c21 ZINC001139896077 1026712177 /nfs/dbraw/zinc/71/21/77/1026712177.db2.gz QMPRAVMBSXHXRC-FQEVSTJZSA-N 1 2 389.503 3.538 20 30 GHEDLO CC(C)c1nccc([C@@H]2C[C@@H]3CCN(c4[nH+]ccc5[nH]cc(C#N)c54)C[C@H]3O2)n1 ZINC001165455229 1026731506 /nfs/dbraw/zinc/73/15/06/1026731506.db2.gz TWKJBOLFPWJPST-ZOCIIQOWSA-N 1 2 388.475 3.704 20 30 GHEDLO N#Cc1cccc(N2CC[NH+](Cc3c[nH]c4nccc(Br)c34)CC2)c1 ZINC001139945310 1026751787 /nfs/dbraw/zinc/75/17/87/1026751787.db2.gz HLOXJEYSKQIPMI-UHFFFAOYSA-N 1 2 396.292 3.519 20 30 GHEDLO N#Cc1cc(Cl)ccc1SCC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC001165754650 1026822408 /nfs/dbraw/zinc/82/24/08/1026822408.db2.gz IYTKOTQIJXZKIQ-UHFFFAOYSA-N 1 2 392.937 3.995 20 30 GHEDLO N#Cc1ccc2cc[nH+]c(N3CC[C@H]4O[C@H](COc5cccnc5)CC[C@H]43)c2c1 ZINC001165999989 1026891014 /nfs/dbraw/zinc/89/10/14/1026891014.db2.gz DWZOOYZBCGNJLX-KSEOMHKRSA-N 1 2 386.455 3.707 20 30 GHEDLO CCOC[C@H]1C[N@H+](Cc2c[nH]c3ccc(C#N)cc23)Cc2c1cnn2CC1CC1 ZINC001140111623 1026892398 /nfs/dbraw/zinc/89/23/98/1026892398.db2.gz BBTLDSWRYGPSAW-LJQANCHMSA-N 1 2 389.503 3.782 20 30 GHEDLO CCOC[C@H]1C[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)Cc2c1cnn2CC1CC1 ZINC001140111623 1026892406 /nfs/dbraw/zinc/89/24/06/1026892406.db2.gz BBTLDSWRYGPSAW-LJQANCHMSA-N 1 2 389.503 3.782 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCO[C@]3(CCC[C@@H]3COCc3ccccn3)C2)c(F)c1 ZINC001140138421 1026913096 /nfs/dbraw/zinc/91/30/96/1026913096.db2.gz IVEWRLSTBHRGNR-NFBKMPQASA-N 1 2 395.478 3.680 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCO[C@]3(CCC[C@@H]3COCc3ccccn3)C2)c(F)c1 ZINC001140138421 1026913102 /nfs/dbraw/zinc/91/31/02/1026913102.db2.gz IVEWRLSTBHRGNR-NFBKMPQASA-N 1 2 395.478 3.680 20 30 GHEDLO N#Cc1ccc2cc[nH+]c(N3CCc4onc(COc5ccccn5)c4C3)c2c1 ZINC001166323261 1026973464 /nfs/dbraw/zinc/97/34/64/1026973464.db2.gz CLUXAJFCUCPUON-UHFFFAOYSA-N 1 2 383.411 3.631 20 30 GHEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(Br)c(F)c1)C2 ZINC001140212402 1026987425 /nfs/dbraw/zinc/98/74/25/1026987425.db2.gz IUHDYOHGSBGVSI-YJBOKZPZSA-N 1 2 384.289 3.914 20 30 GHEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(Br)c(F)c1)C2 ZINC001140212402 1026987433 /nfs/dbraw/zinc/98/74/33/1026987433.db2.gz IUHDYOHGSBGVSI-YJBOKZPZSA-N 1 2 384.289 3.914 20 30 GHEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+]2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c1=S ZINC000840114579 1027222311 /nfs/dbraw/zinc/22/23/11/1027222311.db2.gz GVZBDFADFKCDHO-WOYCLPQFSA-N 1 2 379.533 3.764 20 30 GHEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+]2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c1=S ZINC000840114579 1027222318 /nfs/dbraw/zinc/22/23/18/1027222318.db2.gz GVZBDFADFKCDHO-WOYCLPQFSA-N 1 2 379.533 3.764 20 30 GHEDLO C=CCn1c(-c2cccs2)nn(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)c1=S ZINC000840119354 1027236625 /nfs/dbraw/zinc/23/66/25/1027236625.db2.gz HGUWTPSVHLNFDD-BZUAXINKSA-N 1 2 390.578 3.911 20 30 GHEDLO C=CCn1c(-c2cccs2)nn(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)c1=S ZINC000840119354 1027236644 /nfs/dbraw/zinc/23/66/44/1027236644.db2.gz HGUWTPSVHLNFDD-BZUAXINKSA-N 1 2 390.578 3.911 20 30 GHEDLO CC[C@@H]1[N@H+](Cc2ccc(Br)cc2C#N)CCC[C@]12CCC(=O)N2C ZINC001141811438 1027343217 /nfs/dbraw/zinc/34/32/17/1027343217.db2.gz JJZQXPOIOGOXDH-HKUYNNGSSA-N 1 2 390.325 3.686 20 30 GHEDLO CC[C@@H]1[N@@H+](Cc2ccc(Br)cc2C#N)CCC[C@]12CCC(=O)N2C ZINC001141811438 1027343235 /nfs/dbraw/zinc/34/32/35/1027343235.db2.gz JJZQXPOIOGOXDH-HKUYNNGSSA-N 1 2 390.325 3.686 20 30 GHEDLO N#Cc1cccc(C[N@H+]2Cc3c(cnn3CC3CC3)[C@@H](COCC3CC3)C2)c1 ZINC001203762283 1027584383 /nfs/dbraw/zinc/58/43/83/1027584383.db2.gz NOVOLKAXDXJJDQ-OAQYLSRUSA-N 1 2 376.504 3.691 20 30 GHEDLO N#Cc1cccc(C[N@@H+]2Cc3c(cnn3CC3CC3)[C@@H](COCC3CC3)C2)c1 ZINC001203762283 1027584393 /nfs/dbraw/zinc/58/43/93/1027584393.db2.gz NOVOLKAXDXJJDQ-OAQYLSRUSA-N 1 2 376.504 3.691 20 30 GHEDLO Cc1cccn2cc(COc3ccc(C[NH2+]Cc4nc(C#N)cs4)cc3)nc12 ZINC001203857398 1027664493 /nfs/dbraw/zinc/66/44/93/1027664493.db2.gz ZFFMADHFJINRKR-UHFFFAOYSA-N 1 2 389.484 3.840 20 30 GHEDLO C=CCCc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)cc1 ZINC001210996613 1027744449 /nfs/dbraw/zinc/74/44/49/1027744449.db2.gz SOUFKHQZQNAHRE-LEWJYISDSA-N 1 2 388.508 3.668 20 30 GHEDLO C=CCCc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)cc1 ZINC001210996613 1027744467 /nfs/dbraw/zinc/74/44/67/1027744467.db2.gz SOUFKHQZQNAHRE-LEWJYISDSA-N 1 2 388.508 3.668 20 30 GHEDLO N#Cc1c(F)c(Cl)ccc1Nc1ccc(OCC[NH+]2CCOCC2)cc1F ZINC001213487199 1028220501 /nfs/dbraw/zinc/22/05/01/1028220501.db2.gz LVQCTKSNMOTWGT-UHFFFAOYSA-N 1 2 393.821 3.944 20 30 GHEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+]2CC3(C[C@H]2C)CCOCC3)c1=S ZINC000842638051 1029444395 /nfs/dbraw/zinc/44/43/95/1029444395.db2.gz WAZCLDQLGPRJTD-MRXNPFEDSA-N 1 2 385.537 3.511 20 30 GHEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+]2CC3(C[C@H]2C)CCOCC3)c1=S ZINC000842638051 1029444405 /nfs/dbraw/zinc/44/44/05/1029444405.db2.gz WAZCLDQLGPRJTD-MRXNPFEDSA-N 1 2 385.537 3.511 20 30 GHEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC001216829205 1029952416 /nfs/dbraw/zinc/95/24/16/1029952416.db2.gz YZAWVKXRDZZGEG-LJQANCHMSA-N 1 2 394.475 3.583 20 30 GHEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC001216829205 1029952422 /nfs/dbraw/zinc/95/24/22/1029952422.db2.gz YZAWVKXRDZZGEG-LJQANCHMSA-N 1 2 394.475 3.583 20 30 GHEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cc(F)cc(OC(F)(F)F)c2)C1 ZINC001143266705 1029962525 /nfs/dbraw/zinc/96/25/25/1029962525.db2.gz KHARFBUBXITOEC-AWEZNQCLSA-N 1 2 376.350 3.601 20 30 GHEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cc(F)cc(OC(F)(F)F)c2)C1 ZINC001143266705 1029962529 /nfs/dbraw/zinc/96/25/29/1029962529.db2.gz KHARFBUBXITOEC-AWEZNQCLSA-N 1 2 376.350 3.601 20 30 GHEDLO N#Cc1ccc2[nH]c(C(=O)Nc3ccc(O[C@@H]4CC[NH2+]CC4(F)F)cc3)cc2c1 ZINC001219465088 1031438078 /nfs/dbraw/zinc/43/80/78/1031438078.db2.gz KCGKDPKMJCDSAE-LJQANCHMSA-N 1 2 396.397 3.668 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001225892433 1031678688 /nfs/dbraw/zinc/67/86/88/1031678688.db2.gz BQXPZFSQFKZWBF-HNNXBMFYSA-N 1 2 392.337 3.534 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001225892433 1031678697 /nfs/dbraw/zinc/67/86/97/1031678697.db2.gz BQXPZFSQFKZWBF-HNNXBMFYSA-N 1 2 392.337 3.534 20 30 GHEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2cc(Br)cc(OCC)c2)C1=O ZINC001277113270 1031888671 /nfs/dbraw/zinc/88/86/71/1031888671.db2.gz YMLFCOPJBUVXGD-LJQANCHMSA-N 1 2 393.325 3.601 20 30 GHEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2cc(Br)cc(OCC)c2)C1=O ZINC001277113270 1031888684 /nfs/dbraw/zinc/88/86/84/1031888684.db2.gz YMLFCOPJBUVXGD-LJQANCHMSA-N 1 2 393.325 3.601 20 30 GHEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3c(Cl)cc(Br)cc3Cl)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226594197 1032028763 /nfs/dbraw/zinc/02/87/63/1032028763.db2.gz RXYRKCTUIRQZBZ-PEUDNIOHSA-N 1 2 379.081 3.747 20 30 GHEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3c(Cl)cc(Br)cc3Cl)C[C@H]1[C@@H]1O[C@@H]12 ZINC001226594197 1032028770 /nfs/dbraw/zinc/02/87/70/1032028770.db2.gz RXYRKCTUIRQZBZ-PEUDNIOHSA-N 1 2 379.081 3.747 20 30 GHEDLO C[NH+](C)Cc1nc(CSCCNc2cc(C#N)c3ccccc3n2)cs1 ZINC001157336670 1033542107 /nfs/dbraw/zinc/54/21/07/1033542107.db2.gz NOLCYLTYGUUPRU-UHFFFAOYSA-N 1 2 383.546 3.970 20 30 GHEDLO C[NH+](C)Cc1nc(CSCCNc2ncc(CC#N)cc2Cl)cs1 ZINC001157340359 1033543693 /nfs/dbraw/zinc/54/36/93/1033543693.db2.gz WJVRNDUXXBOBNL-UHFFFAOYSA-N 1 2 381.958 3.664 20 30 GHEDLO COC(=O)[C@@H]1C[C@H](Oc2nc(C)c(-c3ccc4[nH+]ccn4c3)cc2C#N)C1(C)C ZINC001229769658 1033700049 /nfs/dbraw/zinc/70/00/49/1033700049.db2.gz SWZVQEXFMQDFRK-ROUUACIJSA-N 1 2 390.443 3.543 20 30 GHEDLO N#Cc1c(Cl)ccnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC001158547599 1034145271 /nfs/dbraw/zinc/14/52/71/1034145271.db2.gz WMIWQYUNUYAPSW-MRXNPFEDSA-N 1 2 380.801 3.860 20 30 GHEDLO N#Cc1c(Cl)ccnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC001158547599 1034145278 /nfs/dbraw/zinc/14/52/78/1034145278.db2.gz WMIWQYUNUYAPSW-MRXNPFEDSA-N 1 2 380.801 3.860 20 30 GHEDLO N#Cc1c[nH]c2cc[nH+]c(N[C@H]3N=C(c4ccccc4)c4ccccc4NC3=O)c12 ZINC001159531711 1034644150 /nfs/dbraw/zinc/64/41/50/1034644150.db2.gz IHJJYCGSMUHRBL-JOCHJYFZSA-N 1 2 392.422 3.662 20 30 GHEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1ccc(O)c(C(F)(F)F)c1)CCO2 ZINC001231525053 1034677156 /nfs/dbraw/zinc/67/71/56/1034677156.db2.gz TWDCNEOVSATJTM-QFBILLFUSA-N 1 2 385.426 3.985 20 30 GHEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1ccc(O)c(C(F)(F)F)c1)CCO2 ZINC001231525053 1034677159 /nfs/dbraw/zinc/67/71/59/1034677159.db2.gz TWDCNEOVSATJTM-QFBILLFUSA-N 1 2 385.426 3.985 20 30 GHEDLO C#CC[N@@H+](Cc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)OC)CC1CC1 ZINC001461926405 1069891578 /nfs/dbraw/zinc/89/15/78/1069891578.db2.gz LIMCFAJHQOGWFI-UHFFFAOYSA-N 1 2 392.286 3.811 20 30 GHEDLO C#CC[N@H+](Cc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)OC)CC1CC1 ZINC001461926405 1069891592 /nfs/dbraw/zinc/89/15/92/1069891592.db2.gz LIMCFAJHQOGWFI-UHFFFAOYSA-N 1 2 392.286 3.811 20 30 GHEDLO CNc1ccc(Nc2cc(Cl)c(I)cc2C#N)c[nH+]1 ZINC001160250383 1034917725 /nfs/dbraw/zinc/91/77/25/1034917725.db2.gz SCDIXFYOCJQEJA-UHFFFAOYSA-N 1 2 384.608 3.997 20 30 GHEDLO C[C@H](c1ccccc1)N(C(=O)C[NH2+]CCC#N)[C@@H]1CC[C@@H]1OCc1ccccc1 ZINC001161607751 1035271711 /nfs/dbraw/zinc/27/17/11/1035271711.db2.gz IHLOBXSUHIUJLW-PTUXOGIPSA-N 1 2 391.515 3.827 20 30 GHEDLO CCCCCCCCNC(=S)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001247146873 1037945914 /nfs/dbraw/zinc/94/59/14/1037945914.db2.gz OLEKJJIRXKBELF-IBGZPJMESA-N 1 2 392.613 3.977 20 30 GHEDLO COC(=O)c1cc(C[NH+](Cc2ccc(C#N)cc2)Cc2ccc(C#N)cc2)ccn1 ZINC001232774632 1038547046 /nfs/dbraw/zinc/54/70/46/1038547046.db2.gz IWOBSRQIUSKJRA-UHFFFAOYSA-N 1 2 396.450 3.814 20 30 GHEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C[C@H]1C(F)(F)F ZINC001232845210 1038596029 /nfs/dbraw/zinc/59/60/29/1038596029.db2.gz PDZSDYMZPADMIA-KGLIPLIRSA-N 1 2 389.443 3.897 20 30 GHEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C[C@H]1C(F)(F)F ZINC001232845210 1038596035 /nfs/dbraw/zinc/59/60/35/1038596035.db2.gz PDZSDYMZPADMIA-KGLIPLIRSA-N 1 2 389.443 3.897 20 30 GHEDLO Cc1cc(C#N)ccc1C[N@H+]1Cc2ncn(CC3CC3)c2[C@H](COCC2CC2)C1 ZINC001233080366 1038849736 /nfs/dbraw/zinc/84/97/36/1038849736.db2.gz WZWGTGSLHYMVJR-QFIPXVFZSA-N 1 2 390.531 3.999 20 30 GHEDLO Cc1cc(C#N)ccc1C[N@@H+]1Cc2ncn(CC3CC3)c2[C@H](COCC2CC2)C1 ZINC001233080366 1038849764 /nfs/dbraw/zinc/84/97/64/1038849764.db2.gz WZWGTGSLHYMVJR-QFIPXVFZSA-N 1 2 390.531 3.999 20 30 GHEDLO C=CCC[C@H](O)C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccc(F)cc1 ZINC001252602148 1039043729 /nfs/dbraw/zinc/04/37/29/1039043729.db2.gz NKRRFMHPVFBPKH-OALUTQOASA-N 1 2 378.488 3.747 20 30 GHEDLO C=CCC[C@H](O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccc(F)cc1 ZINC001252602148 1039043752 /nfs/dbraw/zinc/04/37/52/1039043752.db2.gz NKRRFMHPVFBPKH-OALUTQOASA-N 1 2 378.488 3.747 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](Cc3c[nH]nc3-c3cc(F)cc(F)c3)CC2)c(F)c1 ZINC001233405914 1039252397 /nfs/dbraw/zinc/25/23/97/1039252397.db2.gz RJXZKQUHEQFHGE-UHFFFAOYSA-N 1 2 397.404 3.688 20 30 GHEDLO C=CCCCCCC[C@H](O)CNc1ccc(N2CC[NH+](C3COC3)CC2)cc1 ZINC001253246692 1039501237 /nfs/dbraw/zinc/50/12/37/1039501237.db2.gz SSWVHEQSCXSBMN-QHCPKHFHSA-N 1 2 387.568 3.507 20 30 GHEDLO N#Cc1cc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc(C(F)(F)F)c1 ZINC001233657912 1039512965 /nfs/dbraw/zinc/51/29/65/1039512965.db2.gz GUTOLJMDCBWDTL-IBGZPJMESA-N 1 2 376.378 3.857 20 30 GHEDLO N#Cc1cc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc(C(F)(F)F)c1 ZINC001233657912 1039512973 /nfs/dbraw/zinc/51/29/73/1039512973.db2.gz GUTOLJMDCBWDTL-IBGZPJMESA-N 1 2 376.378 3.857 20 30 GHEDLO N#CCCCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(Cl)c(Cl)cc1O ZINC001277831476 1039838636 /nfs/dbraw/zinc/83/86/36/1039838636.db2.gz XJESZTZAFQRMQU-LJQANCHMSA-N 1 2 396.318 3.960 20 30 GHEDLO N#CCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Cl)c(Cl)cc1O ZINC001277831476 1039838661 /nfs/dbraw/zinc/83/86/61/1039838661.db2.gz XJESZTZAFQRMQU-LJQANCHMSA-N 1 2 396.318 3.960 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3c(F)cc(C#N)cc3F)CC[C@H]21 ZINC001235653175 1041098950 /nfs/dbraw/zinc/09/89/50/1041098950.db2.gz FESOKJLESGSUIR-RDTXWAMCSA-N 1 2 377.435 3.668 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3c(F)cc(C#N)cc3F)CC[C@H]21 ZINC001235653175 1041098967 /nfs/dbraw/zinc/09/89/67/1041098967.db2.gz FESOKJLESGSUIR-RDTXWAMCSA-N 1 2 377.435 3.668 20 30 GHEDLO COc1cc(C[NH+]2CCC(Oc3ccc(C#N)cc3OC)CC2)c(F)cc1F ZINC001236832119 1041921457 /nfs/dbraw/zinc/92/14/57/1041921457.db2.gz SISVEZMMDLADRG-UHFFFAOYSA-N 1 2 388.414 3.897 20 30 GHEDLO CC(C)(C)OC(=O)Nc1ccc(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)cc1F ZINC001237033912 1041997665 /nfs/dbraw/zinc/99/76/65/1041997665.db2.gz OFOHJRAAJFATHW-MRXNPFEDSA-N 1 2 378.469 3.947 20 30 GHEDLO CC(C)(C)OC(=O)Nc1ccc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)cc1F ZINC001237033912 1041997666 /nfs/dbraw/zinc/99/76/66/1041997666.db2.gz OFOHJRAAJFATHW-MRXNPFEDSA-N 1 2 378.469 3.947 20 30 GHEDLO C=CCOCc1ncn2c1C[N@H+](Cc1ccc(F)c(N3CCCC3)c1)CCC2 ZINC001237088932 1042030584 /nfs/dbraw/zinc/03/05/84/1042030584.db2.gz ZDUMKTRVTVYMFC-UHFFFAOYSA-N 1 2 384.499 3.731 20 30 GHEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1ccc(F)c(N3CCCC3)c1)CCC2 ZINC001237088932 1042030587 /nfs/dbraw/zinc/03/05/87/1042030587.db2.gz ZDUMKTRVTVYMFC-UHFFFAOYSA-N 1 2 384.499 3.731 20 30 GHEDLO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cn2cc(C#N)ccc2n1 ZINC001237616716 1042283280 /nfs/dbraw/zinc/28/32/80/1042283280.db2.gz GEVPHODKDCSQBA-WDSOQIARSA-N 1 2 380.492 3.681 20 30 GHEDLO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cn2cc(C#N)ccc2n1 ZINC001237616716 1042283285 /nfs/dbraw/zinc/28/32/85/1042283285.db2.gz GEVPHODKDCSQBA-WDSOQIARSA-N 1 2 380.492 3.681 20 30 GHEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc2cncc(I)c2o1 ZINC001238260879 1042536183 /nfs/dbraw/zinc/53/61/83/1042536183.db2.gz UMVFLZJSXGQBAP-UOJUARBOSA-N 1 2 393.228 3.699 20 30 GHEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2cncc(I)c2o1 ZINC001238260879 1042536184 /nfs/dbraw/zinc/53/61/84/1042536184.db2.gz UMVFLZJSXGQBAP-UOJUARBOSA-N 1 2 393.228 3.699 20 30 GHEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC001238369931 1042572774 /nfs/dbraw/zinc/57/27/74/1042572774.db2.gz CUIXBKMJQRAZRU-HXUWFJFHSA-N 1 2 381.476 3.537 20 30 GHEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC001238369931 1042572777 /nfs/dbraw/zinc/57/27/77/1042572777.db2.gz CUIXBKMJQRAZRU-HXUWFJFHSA-N 1 2 381.476 3.537 20 30 GHEDLO C#CC[N@H+]1CCCN(C(=O)c2sc(-c3ccco3)nc2-c2ccccc2)CC1 ZINC001293712823 1044307945 /nfs/dbraw/zinc/30/79/45/1044307945.db2.gz KETRNBSWEXAOOC-UHFFFAOYSA-N 1 2 391.496 3.851 20 30 GHEDLO C#CC[N@@H+]1CCCN(C(=O)c2sc(-c3ccco3)nc2-c2ccccc2)CC1 ZINC001293712823 1044307964 /nfs/dbraw/zinc/30/79/64/1044307964.db2.gz KETRNBSWEXAOOC-UHFFFAOYSA-N 1 2 391.496 3.851 20 30 GHEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+]C1CCC2(CC1)OCC(C)(C)CO2 ZINC001258518933 1044596674 /nfs/dbraw/zinc/59/66/74/1044596674.db2.gz JCJICBWOVFLETI-FQEVSTJZSA-N 1 2 387.520 3.628 20 30 GHEDLO C=CCC[C@H](NC(=O)/C=C/C[NH+]1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC001295383380 1044994420 /nfs/dbraw/zinc/99/44/20/1044994420.db2.gz AUGSATLUOYGZIF-JXTAAOLFSA-N 1 2 382.426 3.717 20 30 GHEDLO C/C(=C\C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C[NH+]1CCOCC1 ZINC001296262440 1045291142 /nfs/dbraw/zinc/29/11/42/1045291142.db2.gz PTXNCMVQOIUCDM-YWXUCKCNSA-N 1 2 389.499 3.681 20 30 GHEDLO C=CCN(C)c1nnc([C@@H]2CCC[N@@H+]2Cc2ccccc2)n1Cc1cc(C)on1 ZINC001263787699 1047124026 /nfs/dbraw/zinc/12/40/26/1047124026.db2.gz QEMRUVAMIKCNFU-FQEVSTJZSA-N 1 2 392.507 3.582 20 30 GHEDLO C=CCN(C)c1nnc([C@@H]2CCC[N@H+]2Cc2ccccc2)n1Cc1cc(C)on1 ZINC001263787699 1047124034 /nfs/dbraw/zinc/12/40/34/1047124034.db2.gz QEMRUVAMIKCNFU-FQEVSTJZSA-N 1 2 392.507 3.582 20 30 GHEDLO N#Cc1cc(Cl)c(C(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)c(Cl)c1 ZINC001303306423 1047351882 /nfs/dbraw/zinc/35/18/82/1047351882.db2.gz HSTGSPDCSKOFQN-MRXNPFEDSA-N 1 2 378.234 3.791 20 30 GHEDLO C#CCCC[N@H+]1CCOc2c(cc(Br)cc2C(=O)NC(C)(C)C)C1 ZINC001279749564 1047942007 /nfs/dbraw/zinc/94/20/07/1047942007.db2.gz FGSLPWGBAPLRFW-UHFFFAOYSA-N 1 2 393.325 3.585 20 30 GHEDLO C#CCCC[N@@H+]1CCOc2c(cc(Br)cc2C(=O)NC(C)(C)C)C1 ZINC001279749564 1047942009 /nfs/dbraw/zinc/94/20/09/1047942009.db2.gz FGSLPWGBAPLRFW-UHFFFAOYSA-N 1 2 393.325 3.585 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2CC2=CCCCC2)CC1 ZINC001286475624 1048336896 /nfs/dbraw/zinc/33/68/96/1048336896.db2.gz CZNZXYOWPCATML-UHFFFAOYSA-N 1 2 395.938 3.854 20 30 GHEDLO C=C(C)CN(CC)c1nnc(-c2cccn2C)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001286571707 1048370757 /nfs/dbraw/zinc/37/07/57/1048370757.db2.gz QVYVWNZVKUYGTR-GOSISDBHSA-N 1 2 393.539 3.769 20 30 GHEDLO C=C(C)CN(CC)c1nnc(-c2ccc[nH]2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001286571944 1048370895 /nfs/dbraw/zinc/37/08/95/1048370895.db2.gz VFCXKICCVFOCSZ-UHFFFAOYSA-N 1 2 393.539 3.965 20 30 GHEDLO Cc1cc(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)nn1-c1cccc(C#N)c1 ZINC001306754301 1048861576 /nfs/dbraw/zinc/86/15/76/1048861576.db2.gz KXBLANVDKGCBSC-QGZVFWFLSA-N 1 2 396.454 3.729 20 30 GHEDLO N#Cc1ccc(NCc2cc[nH+]c(N3CCSCC3)c2)cc1Br ZINC001307176575 1049119769 /nfs/dbraw/zinc/11/97/69/1049119769.db2.gz CCAOKDYURJCIHM-UHFFFAOYSA-N 1 2 389.322 3.881 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001307455507 1049290647 /nfs/dbraw/zinc/29/06/47/1049290647.db2.gz POSWNEYJHWLXMC-UHFFFAOYSA-N 1 2 382.426 4.000 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001307455507 1049290660 /nfs/dbraw/zinc/29/06/60/1049290660.db2.gz POSWNEYJHWLXMC-UHFFFAOYSA-N 1 2 382.426 4.000 20 30 GHEDLO N#Cc1ccc(C[N@@H+](CC[S@@](=O)C(F)(F)F)Cc2cccc(F)c2)cc1 ZINC001307534473 1049379544 /nfs/dbraw/zinc/37/95/44/1049379544.db2.gz AYFKWSOITCMXBX-AREMUKBSSA-N 1 2 384.398 3.968 20 30 GHEDLO N#Cc1ccc(C[N@H+](CC[S@@](=O)C(F)(F)F)Cc2cccc(F)c2)cc1 ZINC001307534473 1049379554 /nfs/dbraw/zinc/37/95/54/1049379554.db2.gz AYFKWSOITCMXBX-AREMUKBSSA-N 1 2 384.398 3.968 20 30 GHEDLO COC(=O)c1ccc2c(c1)C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CC2 ZINC001307604700 1049442542 /nfs/dbraw/zinc/44/25/42/1049442542.db2.gz UYEGTBQTQOYAAM-UHFFFAOYSA-N 1 2 389.373 3.782 20 30 GHEDLO COC(=O)c1ccc2c(c1)C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CC2 ZINC001307604700 1049442545 /nfs/dbraw/zinc/44/25/45/1049442545.db2.gz UYEGTBQTQOYAAM-UHFFFAOYSA-N 1 2 389.373 3.782 20 30 GHEDLO Cc1ccc(N2CC[NH+]([C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)cc1C ZINC001307651355 1049477220 /nfs/dbraw/zinc/47/72/20/1049477220.db2.gz JHUWBLIYUQQHNX-KRWDZBQOSA-N 1 2 396.922 3.978 20 30 GHEDLO Cc1nn(-c2ccccn2)c(Cl)c1C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC001308793982 1050096010 /nfs/dbraw/zinc/09/60/10/1050096010.db2.gz HVXOCEBBOCITFO-UHFFFAOYSA-N 1 2 395.894 3.749 20 30 GHEDLO Cc1nn(-c2ccccn2)c(Cl)c1C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC001308793982 1050096020 /nfs/dbraw/zinc/09/60/20/1050096020.db2.gz HVXOCEBBOCITFO-UHFFFAOYSA-N 1 2 395.894 3.749 20 30 GHEDLO C[NH+](C)Cc1nc(CNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)co1 ZINC001310108386 1051159754 /nfs/dbraw/zinc/15/97/54/1051159754.db2.gz PBSHERVTDXSEJT-FQEVSTJZSA-N 1 2 389.459 3.713 20 30 GHEDLO Cc1ccc(S(=O)(=O)C2CC[NH+](CCCOc3ccc(C#N)cc3)CC2)cc1 ZINC001331823878 1051382511 /nfs/dbraw/zinc/38/25/11/1051382511.db2.gz PKAKXUVBSRAHFJ-UHFFFAOYSA-N 1 2 398.528 3.574 20 30 GHEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCc1ccc(SC)c(C#N)c1 ZINC001334058724 1051894436 /nfs/dbraw/zinc/89/44/36/1051894436.db2.gz COYHFDHPMPEPSS-UHFFFAOYSA-N 1 2 385.537 3.661 20 30 GHEDLO Cc1cc(F)c(C#N)cc1NC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC001311179779 1051924449 /nfs/dbraw/zinc/92/44/49/1051924449.db2.gz AWECHHIEAANQAV-UHFFFAOYSA-N 1 2 395.482 3.862 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC2(CC1)OCc1ccccc12 ZINC001342672571 1053291670 /nfs/dbraw/zinc/29/16/70/1053291670.db2.gz HXCUPGLPVFNXCO-FQEVSTJZSA-N 1 2 393.535 3.647 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC2(CC1)OCc1ccccc12 ZINC001342672571 1053291676 /nfs/dbraw/zinc/29/16/76/1053291676.db2.gz HXCUPGLPVFNXCO-FQEVSTJZSA-N 1 2 393.535 3.647 20 30 GHEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(CC)Cc1c[nH]c2ccccc12 ZINC001343315727 1053699361 /nfs/dbraw/zinc/69/93/61/1053699361.db2.gz XBTLFRRMTZHZEE-UHFFFAOYSA-N 1 2 389.507 3.686 20 30 GHEDLO C=C(C)Cn1c(Nc2cnn(C3CCC3)c2)nnc1C1CC[NH+](CCC#N)CC1 ZINC001343458213 1053783368 /nfs/dbraw/zinc/78/33/68/1053783368.db2.gz AIJZLNJVMVVZNS-UHFFFAOYSA-N 1 2 394.527 3.612 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1C[C@H](OC)CC[C@H]1C ZINC001343577703 1053901681 /nfs/dbraw/zinc/90/16/81/1053901681.db2.gz RNSLFORSTKGCFH-GUDVDZBRSA-N 1 2 386.544 3.690 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001343575854 1053901813 /nfs/dbraw/zinc/90/18/13/1053901813.db2.gz JZXMVRZBWWEFOY-ZWKOTPCHSA-N 1 2 386.544 3.690 20 30 GHEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@@H](OC2CCC2)CC1 ZINC001343772594 1054015740 /nfs/dbraw/zinc/01/57/40/1054015740.db2.gz WLPHWCOQFQJIOR-HXUWFJFHSA-N 1 2 387.572 3.768 20 30 GHEDLO C=C1CCN(c2nnc([C@H](C)[N@H+](C)Cc3ccccc3)n2C[C@H]2CCCO2)CC1 ZINC001343833603 1054056923 /nfs/dbraw/zinc/05/69/23/1054056923.db2.gz IHOFQZBIOIXQGR-PZJWPPBQSA-N 1 2 395.551 3.807 20 30 GHEDLO C=C1CCN(c2nnc([C@H](C)[N@@H+](C)Cc3ccccc3)n2C[C@H]2CCCO2)CC1 ZINC001343833603 1054056936 /nfs/dbraw/zinc/05/69/36/1054056936.db2.gz IHOFQZBIOIXQGR-PZJWPPBQSA-N 1 2 395.551 3.807 20 30 GHEDLO CCOCCCn1c([C@H]2CCC[N@@H+]2C)nnc1N(C)[C@@H](C)c1cccc(C#N)c1 ZINC001344455347 1054483009 /nfs/dbraw/zinc/48/30/09/1054483009.db2.gz IRIDHWUXCQDREN-FXAWDEMLSA-N 1 2 396.539 3.540 20 30 GHEDLO CCOCCCn1c([C@H]2CCC[N@H+]2C)nnc1N(C)[C@@H](C)c1cccc(C#N)c1 ZINC001344455347 1054483020 /nfs/dbraw/zinc/48/30/20/1054483020.db2.gz IRIDHWUXCQDREN-FXAWDEMLSA-N 1 2 396.539 3.540 20 30 GHEDLO C#CC[C@H]1CCCN(c2nnc([C@@H]3CCCC[N@H+]3C)n2Cc2cccs2)C1 ZINC001344787737 1054742727 /nfs/dbraw/zinc/74/27/27/1054742727.db2.gz YBJWCYJZSBCFAD-HKUYNNGSSA-N 1 2 383.565 3.784 20 30 GHEDLO C#CC[C@H]1CCCN(c2nnc([C@@H]3CCCC[N@@H+]3C)n2Cc2cccs2)C1 ZINC001344787737 1054742741 /nfs/dbraw/zinc/74/27/41/1054742741.db2.gz YBJWCYJZSBCFAD-HKUYNNGSSA-N 1 2 383.565 3.784 20 30 GHEDLO CCOc1ccc(C[N@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)cc1OC ZINC001318785392 1054872988 /nfs/dbraw/zinc/87/29/88/1054872988.db2.gz UZZJSDHKEGZODX-UHFFFAOYSA-N 1 2 378.432 3.648 20 30 GHEDLO CCOc1ccc(C[N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)cc1OC ZINC001318785392 1054873001 /nfs/dbraw/zinc/87/30/01/1054873001.db2.gz UZZJSDHKEGZODX-UHFFFAOYSA-N 1 2 378.432 3.648 20 30 GHEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC001300609389 1056635129 /nfs/dbraw/zinc/63/51/29/1056635129.db2.gz ASAKOUWYVHKCCQ-SJORKVTESA-N 1 2 395.528 3.548 20 30 GHEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC001300609389 1056635142 /nfs/dbraw/zinc/63/51/42/1056635142.db2.gz ASAKOUWYVHKCCQ-SJORKVTESA-N 1 2 395.528 3.548 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CC(=C)C)CC1 ZINC001300690686 1056884929 /nfs/dbraw/zinc/88/49/29/1056884929.db2.gz PPEZNACVAGQCPT-UHFFFAOYSA-N 1 2 390.318 3.583 20 30 GHEDLO COc1ccc(-c2nc3c(s2)C(=NNCCCn2cc[nH+]c2)CCC3)cc1 ZINC000848418797 1057076253 /nfs/dbraw/zinc/07/62/53/1057076253.db2.gz UHPAUYSPZUNYOC-UHFFFAOYSA-N 1 2 381.505 3.736 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)c(C#N)c1C ZINC001324284887 1057104087 /nfs/dbraw/zinc/10/40/87/1057104087.db2.gz HJDBNGNBEDIISQ-HOCLYGCPSA-N 1 2 391.475 3.851 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)c(C#N)c1C ZINC001324284887 1057104091 /nfs/dbraw/zinc/10/40/91/1057104091.db2.gz HJDBNGNBEDIISQ-HOCLYGCPSA-N 1 2 391.475 3.851 20 30 GHEDLO CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC001356264929 1057452432 /nfs/dbraw/zinc/45/24/32/1057452432.db2.gz GXKCMYMOUZTVGN-QGZVFWFLSA-N 1 2 395.459 3.625 20 30 GHEDLO N#C[C@]1(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)CC12CCCC2 ZINC001326417341 1057480034 /nfs/dbraw/zinc/48/00/34/1057480034.db2.gz KRSMHSNDOPOYKW-QFIPXVFZSA-N 1 2 377.492 3.961 20 30 GHEDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2cccc(SCC#N)c2)CC1 ZINC001440652762 1058561024 /nfs/dbraw/zinc/56/10/24/1058561024.db2.gz SFSKXDHVMNKUOP-UHFFFAOYSA-N 1 2 395.528 3.577 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2Cc2ccccc2)nnc1N1C[C@@H](C)C[C@H]1C ZINC001339210732 1059013596 /nfs/dbraw/zinc/01/35/96/1059013596.db2.gz KQRWMSGCWIHYAL-ZWKOTPCHSA-N 1 2 376.508 3.534 20 30 GHEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC[C@H](C(C)(C)O)C1 ZINC001339773792 1059458612 /nfs/dbraw/zinc/45/86/12/1059458612.db2.gz FNCWVQIZTXPTNE-QUCCMNQESA-N 1 2 397.567 3.644 20 30 GHEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC[C@H](C(C)(C)O)C1 ZINC001339773792 1059458627 /nfs/dbraw/zinc/45/86/27/1059458627.db2.gz FNCWVQIZTXPTNE-QUCCMNQESA-N 1 2 397.567 3.644 20 30 GHEDLO C[C@H]1c2ccccc2CN1c1nnc(C2CC[NH+](CCC#N)CC2)n1CC1CC1 ZINC001346247220 1061474690 /nfs/dbraw/zinc/47/46/90/1061474690.db2.gz MFLPHCYLJFDMPT-KRWDZBQOSA-N 1 2 390.535 3.862 20 30 GHEDLO C=CCOc1ccc(C(=O)N2CC[NH+](Cc3ccc(CC)cc3)CC2)cc1OC ZINC001455222525 1062058669 /nfs/dbraw/zinc/05/86/69/1062058669.db2.gz FPCYEAZLALCYER-UHFFFAOYSA-N 1 2 394.515 3.780 20 30 GHEDLO N#Cc1cnn2c1[nH]c(C[N@H+]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)cc2=O ZINC001459335805 1064066324 /nfs/dbraw/zinc/06/63/24/1064066324.db2.gz LMIRHRXZTTXPRC-MRXNPFEDSA-N 1 2 388.258 3.950 20 30 GHEDLO N#Cc1cnn2c1[nH]c(C[N@@H+]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)cc2=O ZINC001459335805 1064066338 /nfs/dbraw/zinc/06/63/38/1064066338.db2.gz LMIRHRXZTTXPRC-MRXNPFEDSA-N 1 2 388.258 3.950 20 30 GHEDLO COc1cc(C#N)ccc1OCC[NH+]1CCN(c2ccc(F)cc2Cl)CC1 ZINC001459776741 1064212183 /nfs/dbraw/zinc/21/21/83/1064212183.db2.gz BVSNRWGXUVBBGQ-UHFFFAOYSA-N 1 2 389.858 3.560 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC(CCOC)CC1 ZINC001351947918 1064724814 /nfs/dbraw/zinc/72/48/14/1064724814.db2.gz BNEHLJJYOMTAOF-IBGZPJMESA-N 1 2 397.567 3.910 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC(CCOC)CC1 ZINC001351947918 1064724821 /nfs/dbraw/zinc/72/48/21/1064724821.db2.gz BNEHLJJYOMTAOF-IBGZPJMESA-N 1 2 397.567 3.910 20 30 GHEDLO N#Cc1cccc(-c2c[nH]c(CNC(=O)C[C@H](c3[nH]cc[nH+]3)c3ccccc3)n2)c1 ZINC001465940883 1065931150 /nfs/dbraw/zinc/93/11/50/1065931150.db2.gz NLUBCQNEBCVOQP-IBGZPJMESA-N 1 2 396.454 3.510 20 30 GHEDLO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC001466003710 1065951852 /nfs/dbraw/zinc/95/18/52/1065951852.db2.gz HJLDAPWGDTUHBL-BZSNNMDCSA-N 1 2 390.528 3.542 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C)o3)n2CCCC2CCCC2)CC1 ZINC001359032094 1067659590 /nfs/dbraw/zinc/65/95/90/1067659590.db2.gz AVYDQNVJADPHDO-UHFFFAOYSA-N 1 2 381.524 3.572 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(CC3CCCC3)n2CC2(CCC)CCC2)CC1 ZINC001359037386 1067660382 /nfs/dbraw/zinc/66/03/82/1067660382.db2.gz HPNUVROMXLQCGZ-UHFFFAOYSA-N 1 2 383.584 3.736 20 30 GHEDLO C=C1CCN(c2nnc(CCc3ccccc3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001359167453 1067722234 /nfs/dbraw/zinc/72/22/34/1067722234.db2.gz GQOGZWCFFVKFOS-UHFFFAOYSA-N 1 2 389.503 3.672 20 30 GHEDLO CC(C)c1nnc(N(CCC#N)CC2CC2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001359687422 1068133583 /nfs/dbraw/zinc/13/35/83/1068133583.db2.gz MYYVWDHMCXVQPW-UHFFFAOYSA-N 1 2 389.507 3.766 20 30 GHEDLO Cc1ccc(C[N@@H+]2CCN(C(=O)C(F)(F)F)C3(CCCCC3)C2)cc1C#N ZINC001460316875 1068922336 /nfs/dbraw/zinc/92/23/36/1068922336.db2.gz ILDQHDPCVJJNRX-UHFFFAOYSA-N 1 2 379.426 3.776 20 30 GHEDLO Cc1ccc(C[N@H+]2CCN(C(=O)C(F)(F)F)C3(CCCCC3)C2)cc1C#N ZINC001460316875 1068922339 /nfs/dbraw/zinc/92/23/39/1068922339.db2.gz ILDQHDPCVJJNRX-UHFFFAOYSA-N 1 2 379.426 3.776 20 30 GHEDLO N#Cc1cccc(C2(C(=O)NCc3c(Cl)cccc3-n3cc[nH+]c3)CC2)c1 ZINC001460344623 1068934516 /nfs/dbraw/zinc/93/45/16/1068934516.db2.gz QTOUPUCDRKATCG-UHFFFAOYSA-N 1 2 376.847 3.745 20 30 GHEDLO N#CCCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1ccccc1 ZINC001460434530 1068963545 /nfs/dbraw/zinc/96/35/45/1068963545.db2.gz FHHCCFWHAVGBDJ-GOSISDBHSA-N 1 2 389.415 3.945 20 30 GHEDLO COc1cc2c(cc1OC)C1(CCC1)[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])CC2 ZINC001460789011 1069178913 /nfs/dbraw/zinc/17/89/13/1069178913.db2.gz HHXAGEJGAPAKIH-UHFFFAOYSA-N 1 2 393.443 3.921 20 30 GHEDLO COc1cc2c(cc1OC)C1(CCC1)[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])CC2 ZINC001460789011 1069178915 /nfs/dbraw/zinc/17/89/15/1069178915.db2.gz HHXAGEJGAPAKIH-UHFFFAOYSA-N 1 2 393.443 3.921 20 30 GHEDLO CC(C)[C@H]1CCC[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC001478487438 1078888789 /nfs/dbraw/zinc/88/87/89/1078888789.db2.gz USQSQUXNLLJLIZ-VXKWHMMOSA-N 1 2 382.552 3.990 20 30 GHEDLO C[C@@H](NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001472533034 1073535733 /nfs/dbraw/zinc/53/57/33/1073535733.db2.gz PJUDRZUMOWXJME-VGOFRKELSA-N 1 2 385.471 3.590 20 30 GHEDLO C[C@@H](NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001472533035 1073536562 /nfs/dbraw/zinc/53/65/62/1073536562.db2.gz PJUDRZUMOWXJME-VGSWGCGISA-N 1 2 385.471 3.590 20 30 GHEDLO CC(C)COC(=O)N1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001473139342 1073802748 /nfs/dbraw/zinc/80/27/48/1073802748.db2.gz SUCXJDXJQZSIQA-UHFFFAOYSA-N 1 2 398.425 3.737 20 30 GHEDLO CC(C)COC(=O)N1CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001473139342 1073802755 /nfs/dbraw/zinc/80/27/55/1073802755.db2.gz SUCXJDXJQZSIQA-UHFFFAOYSA-N 1 2 398.425 3.737 20 30 GHEDLO C=C(C)[C@@H](NS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2)c1ccc(F)c(F)c1 ZINC001475213770 1074789375 /nfs/dbraw/zinc/78/93/75/1074789375.db2.gz XUPAEWKYPVESGV-HXUWFJFHSA-N 1 2 392.471 3.548 20 30 GHEDLO C=C(C)[C@@H](NS(=O)(=O)c1cccc2c1CC[N@H+](C)C2)c1ccc(F)c(F)c1 ZINC001475213770 1074789385 /nfs/dbraw/zinc/78/93/85/1074789385.db2.gz XUPAEWKYPVESGV-HXUWFJFHSA-N 1 2 392.471 3.548 20 30 GHEDLO CC[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1c[nH+]ccc1OC ZINC001495999073 1079445503 /nfs/dbraw/zinc/44/55/03/1079445503.db2.gz VYWKMRNERVWPLZ-INIZCTEOSA-N 1 2 390.491 3.751 20 30 GHEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000735426537 599173268 /nfs/dbraw/zinc/17/32/68/599173268.db2.gz RJYPALUAPVVYID-UHFFFAOYSA-N 1 2 384.827 3.617 20 30 GHEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000735426537 599173269 /nfs/dbraw/zinc/17/32/69/599173269.db2.gz RJYPALUAPVVYID-UHFFFAOYSA-N 1 2 384.827 3.617 20 30 GHEDLO CC1(C)CC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC[S@]1=O ZINC000583124393 837447141 /nfs/dbraw/zinc/44/71/41/837447141.db2.gz JPFCVBWGXQEIAD-HHHXNRCGSA-N 1 2 382.529 3.870 20 30 GHEDLO CC1(C)CC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC[S@]1=O ZINC000583124393 837447152 /nfs/dbraw/zinc/44/71/52/837447152.db2.gz JPFCVBWGXQEIAD-HHHXNRCGSA-N 1 2 382.529 3.870 20 30 GHEDLO N#Cc1cccc(OCC[N@@H+]2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)c1 ZINC000583523105 834563677 /nfs/dbraw/zinc/56/36/77/834563677.db2.gz MKXJCLRVMZCSPE-LJQANCHMSA-N 1 2 392.377 3.909 20 30 GHEDLO N#Cc1cccc(OCC[N@H+]2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)c1 ZINC000583523105 834563685 /nfs/dbraw/zinc/56/36/85/834563685.db2.gz MKXJCLRVMZCSPE-LJQANCHMSA-N 1 2 392.377 3.909 20 30 GHEDLO CC[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)CC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000458626900 834809532 /nfs/dbraw/zinc/80/95/32/834809532.db2.gz QEGAXTOOFLVOHJ-IAGOWNOFSA-N 1 2 380.895 3.853 20 30 GHEDLO CC[N@H+]1CC[C@@H](NC(=O)NCC(C)(C)CC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000458626900 834809537 /nfs/dbraw/zinc/80/95/37/834809537.db2.gz QEGAXTOOFLVOHJ-IAGOWNOFSA-N 1 2 380.895 3.853 20 30 GHEDLO N#Cc1ccc(C[N@@H+](CC(=O)Nc2nc(-c3ccco3)cs2)C2CC2)cc1 ZINC000177008771 837826178 /nfs/dbraw/zinc/82/61/78/837826178.db2.gz GRADEDVSEKSFFM-UHFFFAOYSA-N 1 2 378.457 3.878 20 30 GHEDLO N#Cc1ccc(C[N@H+](CC(=O)Nc2nc(-c3ccco3)cs2)C2CC2)cc1 ZINC000177008771 837826184 /nfs/dbraw/zinc/82/61/84/837826184.db2.gz GRADEDVSEKSFFM-UHFFFAOYSA-N 1 2 378.457 3.878 20 30 GHEDLO CC(C)c1nc2ccc(NC(=O)N3C[C@@H]([NH+]4CCOCC4)C[C@H]3C)cc2s1 ZINC000329374241 834933584 /nfs/dbraw/zinc/93/35/84/834933584.db2.gz NJJZAUNWVGHIST-ZBFHGGJFSA-N 1 2 388.537 3.760 20 30 GHEDLO O=C(NC1(c2noc([C@@H]3CCOC3)n2)CCCCCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329425631 835017790 /nfs/dbraw/zinc/01/77/90/835017790.db2.gz GVERHRWYLQAXNG-HZPDHXFCSA-N 1 2 399.495 3.539 20 30 GHEDLO O=C(N[C@H]1CCCOc2ccc(F)cc21)c1ccccc1C[NH+]1CCOCC1 ZINC000329865473 835133349 /nfs/dbraw/zinc/13/33/49/835133349.db2.gz AHGBIONNUMVPPN-FQEVSTJZSA-N 1 2 384.451 3.876 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(Cc3ncc(-c4ccccc4F)o3)CC2)cc1 ZINC000610212141 835133695 /nfs/dbraw/zinc/13/36/95/835133695.db2.gz RLZYRGHNACTOCN-UHFFFAOYSA-N 1 2 376.435 3.670 20 30 GHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000512526133 844067647 /nfs/dbraw/zinc/06/76/47/844067647.db2.gz DBDBYXUHHAEUHE-WIYYLYMNSA-N 1 2 396.535 3.871 20 30 GHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000512526133 844067656 /nfs/dbraw/zinc/06/76/56/844067656.db2.gz DBDBYXUHHAEUHE-WIYYLYMNSA-N 1 2 396.535 3.871 20 30 GHEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)C1 ZINC000658436722 835678426 /nfs/dbraw/zinc/67/84/26/835678426.db2.gz KNGRTDKCCZWFMK-QGZVFWFLSA-N 1 2 392.503 3.640 20 30 GHEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000375850995 836077741 /nfs/dbraw/zinc/07/77/41/836077741.db2.gz KIYYTFHUELLNDH-UHFFFAOYSA-N 1 2 398.507 3.592 20 30 GHEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCCN(c2ccccc2F)CC1 ZINC000375850995 836077747 /nfs/dbraw/zinc/07/77/47/836077747.db2.gz KIYYTFHUELLNDH-UHFFFAOYSA-N 1 2 398.507 3.592 20 30 GHEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000155001839 836283220 /nfs/dbraw/zinc/28/32/20/836283220.db2.gz FLCBTXCBWOXYAV-GOSISDBHSA-N 1 2 380.517 3.817 20 30 GHEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000155001839 836283228 /nfs/dbraw/zinc/28/32/28/836283228.db2.gz FLCBTXCBWOXYAV-GOSISDBHSA-N 1 2 380.517 3.817 20 30 GHEDLO CN1CC[NH+](C[C@H](Nc2nc(C(C)(C)C)ccc2C#N)c2ccccc2)CC1 ZINC000613420553 836342400 /nfs/dbraw/zinc/34/24/00/836342400.db2.gz QXESIDGNURMKEX-FQEVSTJZSA-N 1 2 377.536 3.651 20 30 GHEDLO CC(=O)Nc1c(C)cc[nH+]c1N1CCC(Oc2ccc(C#N)c(Cl)c2)CC1 ZINC001167152500 836667723 /nfs/dbraw/zinc/66/77/23/836667723.db2.gz JYUYPIVLUHKIEJ-UHFFFAOYSA-N 1 2 384.867 3.921 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(NC(=O)c3cc(C)oc3C)CC2)c1C ZINC000170776375 836680580 /nfs/dbraw/zinc/68/05/80/836680580.db2.gz UWKWOKGBHFQWFL-UHFFFAOYSA-N 1 2 397.519 3.578 20 30 GHEDLO N#Cc1ccc(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)c(Cl)c1 ZINC000430366683 836821167 /nfs/dbraw/zinc/82/11/67/836821167.db2.gz QUFXSMXMCGDZRJ-UHFFFAOYSA-N 1 2 393.834 3.689 20 30 GHEDLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1sccc1CC#N ZINC001266435649 836904391 /nfs/dbraw/zinc/90/43/91/836904391.db2.gz NAOCDSFMWUEHIC-JXFKEZNVSA-N 1 2 396.560 3.890 20 30 GHEDLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1sccc1CC#N ZINC001266435649 836904398 /nfs/dbraw/zinc/90/43/98/836904398.db2.gz NAOCDSFMWUEHIC-JXFKEZNVSA-N 1 2 396.560 3.890 20 30 GHEDLO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+](CCC)Cc2ccc(F)cc2F)c1 ZINC001167237922 836996147 /nfs/dbraw/zinc/99/61/47/836996147.db2.gz ZUUJUBATNVEXFZ-UHFFFAOYSA-N 1 2 385.414 3.506 20 30 GHEDLO C#Cc1cccc(NC(=O)NC(=O)C[N@H+](CCC)Cc2ccc(F)cc2F)c1 ZINC001167237922 836996153 /nfs/dbraw/zinc/99/61/53/836996153.db2.gz ZUUJUBATNVEXFZ-UHFFFAOYSA-N 1 2 385.414 3.506 20 30 GHEDLO Cc1cc(N2CCC[C@@H]([NH+]3CCC(F)(C#N)CC3)C2=O)ccc1Br ZINC000510949995 844238470 /nfs/dbraw/zinc/23/84/70/844238470.db2.gz KIMUYLUSAJEJIS-MRXNPFEDSA-N 1 2 394.288 3.581 20 30 GHEDLO N#Cc1ccc(OC2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC2)c(F)c1 ZINC000376431266 837171964 /nfs/dbraw/zinc/17/19/64/837171964.db2.gz ZEOZEMDLISVBEU-UHFFFAOYSA-N 1 2 390.418 3.567 20 30 GHEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c(C#N)c1C ZINC000177240395 837892116 /nfs/dbraw/zinc/89/21/16/837892116.db2.gz MYOHTPMSCLESIZ-INIZCTEOSA-N 1 2 396.516 3.526 20 30 GHEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c(C#N)c1C ZINC000177240395 837892124 /nfs/dbraw/zinc/89/21/24/837892124.db2.gz MYOHTPMSCLESIZ-INIZCTEOSA-N 1 2 396.516 3.526 20 30 GHEDLO N#CCSc1cccc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)c1 ZINC000177446352 837965336 /nfs/dbraw/zinc/96/53/36/837965336.db2.gz DFDNASSGIMXMDI-UHFFFAOYSA-N 1 2 392.484 3.851 20 30 GHEDLO C[C@](C#N)(NC(=O)C[NH+]1CCC(c2ccc(Cl)cc2Cl)CC1)C1CC1 ZINC000428725951 844539483 /nfs/dbraw/zinc/53/94/83/844539483.db2.gz ZWABZUXGJCAXRA-LJQANCHMSA-N 1 2 380.319 3.981 20 30 GHEDLO C[C@@H]([NH2+][C@H](Cc1ccccc1)c1ncco1)C(=O)N(CCC#N)c1ccccc1 ZINC000594055873 841622708 /nfs/dbraw/zinc/62/27/08/841622708.db2.gz OPLQSPINDKTYTE-WIYYLYMNSA-N 1 2 388.471 3.883 20 30 GHEDLO N#Cc1cccc(OCCC[NH+]2CCN(C(=O)c3cc4occc4s3)CC2)c1 ZINC000477308023 841984363 /nfs/dbraw/zinc/98/43/63/841984363.db2.gz XWRRQSFHZGDXRY-UHFFFAOYSA-N 1 2 395.484 3.593 20 30 GHEDLO Cn1c[nH+]cc1CCNC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 ZINC000121456146 842124646 /nfs/dbraw/zinc/12/46/46/842124646.db2.gz FGHBNDQWGOMCFL-UHFFFAOYSA-N 1 2 380.835 3.710 20 30 GHEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC1 ZINC000609486468 842125911 /nfs/dbraw/zinc/12/59/11/842125911.db2.gz KSQMUHYDSYCKRR-JOCHJYFZSA-N 1 2 376.504 3.605 20 30 GHEDLO O=C(NC1CCN(c2nc3ccccc3s2)CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328935345 842996270 /nfs/dbraw/zinc/99/62/70/842996270.db2.gz FPEUEWMNVXTGBH-CQSZACIVSA-N 1 2 381.505 3.681 20 30 GHEDLO O=C(NCC#Cc1cccc(F)c1)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000549588960 843007234 /nfs/dbraw/zinc/00/72/34/843007234.db2.gz DONVYMQFLXSFSI-VXKWHMMOSA-N 1 2 388.446 3.602 20 30 GHEDLO COC(=O)[C@@]1([NH2+]CCCC(C)(C)C#N)CCc2cc(Br)ccc2C1 ZINC000599594269 861379855 /nfs/dbraw/zinc/37/98/55/861379855.db2.gz JFRKUDCEJMPUEE-LJQANCHMSA-N 1 2 393.325 3.769 20 30 GHEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccc(NC(=O)OC(C)(C)C)nn1 ZINC000891805770 843159596 /nfs/dbraw/zinc/15/95/96/843159596.db2.gz PMDZYTRYFPUNOL-UHFFFAOYSA-N 1 2 379.464 3.883 20 30 GHEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(NC(=O)OC(C)(C)C)nn1 ZINC000891805770 843159604 /nfs/dbraw/zinc/15/96/04/843159604.db2.gz PMDZYTRYFPUNOL-UHFFFAOYSA-N 1 2 379.464 3.883 20 30 GHEDLO C=CCOc1ccccc1C[NH+]1CCN(C(=O)CCc2ccc(OC)cc2)CC1 ZINC000512261645 843253503 /nfs/dbraw/zinc/25/35/03/843253503.db2.gz QSHGWDGGQHGVFA-UHFFFAOYSA-N 1 2 394.515 3.537 20 30 GHEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCc3cc(Cl)cc(Cl)c3C2)cc1 ZINC000610648598 843356786 /nfs/dbraw/zinc/35/67/86/843356786.db2.gz UROKXKBBWAPKMB-QGZVFWFLSA-N 1 2 391.298 3.857 20 30 GHEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCc3cc(Cl)cc(Cl)c3C2)cc1 ZINC000610648598 843356790 /nfs/dbraw/zinc/35/67/90/843356790.db2.gz UROKXKBBWAPKMB-QGZVFWFLSA-N 1 2 391.298 3.857 20 30 GHEDLO COc1cccc2c1C[N@H+](CCC(=O)Nc1sc3c(c1C#N)CCCC3)C2 ZINC000599648060 861444420 /nfs/dbraw/zinc/44/44/20/861444420.db2.gz ZQABQCNYJUZWDP-UHFFFAOYSA-N 1 2 381.501 3.852 20 30 GHEDLO COc1cccc2c1C[N@@H+](CCC(=O)Nc1sc3c(c1C#N)CCCC3)C2 ZINC000599648060 861444427 /nfs/dbraw/zinc/44/44/27/861444427.db2.gz ZQABQCNYJUZWDP-UHFFFAOYSA-N 1 2 381.501 3.852 20 30 GHEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000500610495 843731344 /nfs/dbraw/zinc/73/13/44/843731344.db2.gz LTMYMORARZDMTN-XYPHTWIQSA-N 1 2 388.393 3.554 20 30 GHEDLO CN(C)C[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccc(Cl)c(Cl)c1 ZINC000599626015 861453074 /nfs/dbraw/zinc/45/30/74/861453074.db2.gz CQUCHBHKVCMSSA-OAHLLOKOSA-N 1 2 397.331 3.758 20 30 GHEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000512449085 843831700 /nfs/dbraw/zinc/83/17/00/843831700.db2.gz BNHJIZHGRVOIFR-UHFFFAOYSA-N 1 2 394.482 3.819 20 30 GHEDLO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 ZINC000512835671 843833304 /nfs/dbraw/zinc/83/33/04/843833304.db2.gz YPPDRENWDDUGQO-OAHLLOKOSA-N 1 2 397.450 3.576 20 30 GHEDLO CC[C@H]1Cc2ccccc2C[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000185788404 861487215 /nfs/dbraw/zinc/48/72/15/861487215.db2.gz JYUOLUSWPLFYKD-FQEVSTJZSA-N 1 2 385.471 3.519 20 30 GHEDLO CC[C@H]1Cc2ccccc2C[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000185788404 861487209 /nfs/dbraw/zinc/48/72/09/861487209.db2.gz JYUOLUSWPLFYKD-FQEVSTJZSA-N 1 2 385.471 3.519 20 30 GHEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000432957993 844740150 /nfs/dbraw/zinc/74/01/50/844740150.db2.gz DJVCNJFWSWTTAG-FVRICEFQSA-N 1 2 393.535 3.623 20 30 GHEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000432957993 844740158 /nfs/dbraw/zinc/74/01/58/844740158.db2.gz DJVCNJFWSWTTAG-FVRICEFQSA-N 1 2 393.535 3.623 20 30 GHEDLO Cc1ccc([C@@H](CN=Cc2cc3ccccc3[nH]c2=O)[NH+]2CCOCC2)cc1 ZINC000255427985 844927305 /nfs/dbraw/zinc/92/73/05/844927305.db2.gz BBWPYCHQZDLYJM-HRXKUDGMSA-N 1 2 375.472 3.741 20 30 GHEDLO COC(=O)c1cccc(C[NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)c1C#N ZINC000599680461 861521749 /nfs/dbraw/zinc/52/17/49/861521749.db2.gz MGAQCVLQAFFDEW-SFHVURJKSA-N 1 2 393.270 3.865 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](C)c1c(F)cncc1F ZINC000513247268 845117184 /nfs/dbraw/zinc/11/71/84/845117184.db2.gz MGIZSWVQQRJPGC-CHWSQXEVSA-N 1 2 390.459 3.901 20 30 GHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCc2ccc(C#N)cc2F)c(C)c1 ZINC000611004429 845124570 /nfs/dbraw/zinc/12/45/70/845124570.db2.gz JDUJBYNYSQVMFZ-NRFANRHFSA-N 1 2 391.450 3.751 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCOCC2(CCCC2)C1 ZINC000614222861 845288909 /nfs/dbraw/zinc/28/89/09/845288909.db2.gz LHWDSJJSGDWWJT-QGZVFWFLSA-N 1 2 387.549 3.769 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCOCC2(CCCC2)C1 ZINC000614222861 845288917 /nfs/dbraw/zinc/28/89/17/845288917.db2.gz LHWDSJJSGDWWJT-QGZVFWFLSA-N 1 2 387.549 3.769 20 30 GHEDLO CCc1ccc(C[NH+]2CCN(C(=O)C3(c4cc(F)cc(C#N)c4)CC3)CC2)s1 ZINC000513386785 845338049 /nfs/dbraw/zinc/33/80/49/845338049.db2.gz QICWTWBNWOJPCV-UHFFFAOYSA-N 1 2 397.519 3.697 20 30 GHEDLO N#C[C@@H]1C[N@@H+](Cc2cnc(-c3ccccc3)s2)C[C@]12C(=O)Nc1ccccc12 ZINC000513666407 846232902 /nfs/dbraw/zinc/23/29/02/846232902.db2.gz MGTRAUJYBAFSRH-ZHRRBRCNSA-N 1 2 386.480 3.656 20 30 GHEDLO N#C[C@@H]1C[N@H+](Cc2cnc(-c3ccccc3)s2)C[C@]12C(=O)Nc1ccccc12 ZINC000513666407 846232912 /nfs/dbraw/zinc/23/29/12/846232912.db2.gz MGTRAUJYBAFSRH-ZHRRBRCNSA-N 1 2 386.480 3.656 20 30 GHEDLO C=C[C@@](C)(CCOC)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000473536180 846503791 /nfs/dbraw/zinc/50/37/91/846503791.db2.gz YFWYLOXHLSNYDT-PXNSSMCTSA-N 1 2 382.907 3.789 20 30 GHEDLO C=C[C@@](C)(CCOC)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000473536180 846503801 /nfs/dbraw/zinc/50/38/01/846503801.db2.gz YFWYLOXHLSNYDT-PXNSSMCTSA-N 1 2 382.907 3.789 20 30 GHEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000280732388 846514183 /nfs/dbraw/zinc/51/41/83/846514183.db2.gz RDELJGDGXJKSLN-HRAATJIYSA-N 1 2 378.476 3.705 20 30 GHEDLO CC1(C#N)CCN(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000272547091 847106650 /nfs/dbraw/zinc/10/66/50/847106650.db2.gz DNNBUZFYNYBLEJ-QGZVFWFLSA-N 1 2 392.906 3.951 20 30 GHEDLO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC(CCc3ccccc3)CC2)c1 ZINC000513783950 847513703 /nfs/dbraw/zinc/51/37/03/847513703.db2.gz IAISPXPRNMQSOU-UHFFFAOYSA-N 1 2 382.529 3.677 20 30 GHEDLO COc1ccc2cc(C[N@H+](C)CCS(=O)(=O)c3cccc(C#N)c3)ccc2c1 ZINC000513786052 847585105 /nfs/dbraw/zinc/58/51/05/847585105.db2.gz YRWVKYOAAWXMTO-UHFFFAOYSA-N 1 2 394.496 3.626 20 30 GHEDLO COc1ccc2cc(C[N@@H+](C)CCS(=O)(=O)c3cccc(C#N)c3)ccc2c1 ZINC000513786052 847585113 /nfs/dbraw/zinc/58/51/13/847585113.db2.gz YRWVKYOAAWXMTO-UHFFFAOYSA-N 1 2 394.496 3.626 20 30 GHEDLO Cc1cccc([C@H](C)C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)c1 ZINC000329087605 847832708 /nfs/dbraw/zinc/83/27/08/847832708.db2.gz VDLQNAMXSVIYLU-RRMPHLOHSA-N 1 2 380.492 3.683 20 30 GHEDLO CC[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@H](C)[S@]1=O ZINC000582752367 848282499 /nfs/dbraw/zinc/28/24/99/848282499.db2.gz RZFYWHPUAPECSH-WFMHVWNISA-N 1 2 382.529 3.869 20 30 GHEDLO CC[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@H](C)[S@]1=O ZINC000582752367 848282508 /nfs/dbraw/zinc/28/25/08/848282508.db2.gz RZFYWHPUAPECSH-WFMHVWNISA-N 1 2 382.529 3.869 20 30 GHEDLO CC1(C)C[N@H+](CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CCO1 ZINC000171535832 862141216 /nfs/dbraw/zinc/14/12/16/862141216.db2.gz WGYHJCVRRQGOMJ-UHFFFAOYSA-N 1 2 394.475 3.583 20 30 GHEDLO CC1(C)C[N@@H+](CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CCO1 ZINC000171535832 862141228 /nfs/dbraw/zinc/14/12/28/862141228.db2.gz WGYHJCVRRQGOMJ-UHFFFAOYSA-N 1 2 394.475 3.583 20 30 GHEDLO COCC[N@H+](Cc1ccnn1C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000426529933 850565818 /nfs/dbraw/zinc/56/58/18/850565818.db2.gz NAAFHIPYYFZLNM-UHFFFAOYSA-N 1 2 390.487 3.519 20 30 GHEDLO COCC[N@@H+](Cc1ccnn1C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000426529933 850565823 /nfs/dbraw/zinc/56/58/23/850565823.db2.gz NAAFHIPYYFZLNM-UHFFFAOYSA-N 1 2 390.487 3.519 20 30 GHEDLO N#Cc1c(Br)cccc1NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000439954033 850622669 /nfs/dbraw/zinc/62/26/69/850622669.db2.gz PMNVPQJCLVVZDS-IBGZPJMESA-N 1 2 386.293 3.806 20 30 GHEDLO Cc1cccc(N2CC[NH+]([C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)CC2)c1 ZINC000027882200 850750847 /nfs/dbraw/zinc/75/08/47/850750847.db2.gz JHVDXLLKMKTTCD-IBGZPJMESA-N 1 2 394.494 3.592 20 30 GHEDLO Cc1ccc([C@H]([NH2+]CC#Cc2ccccc2Cl)[C@@H](C)S(C)(=O)=O)cc1 ZINC000435907919 850976418 /nfs/dbraw/zinc/97/64/18/850976418.db2.gz MHYHVMXNBYCBSY-OXQOHEQNSA-N 1 2 375.921 3.764 20 30 GHEDLO N#Cc1cccc(COc2ccc(NC(=O)c3cc(-n4cc[nH+]c4)ccn3)cc2)c1 ZINC000489024692 851942494 /nfs/dbraw/zinc/94/24/94/851942494.db2.gz BAFMTGPROYFBQU-UHFFFAOYSA-N 1 2 395.422 3.970 20 30 GHEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000664563840 852007389 /nfs/dbraw/zinc/00/73/89/852007389.db2.gz ZYSGRHRQEWSZMH-YRPNKDGESA-N 1 2 389.927 3.604 20 30 GHEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000664563840 852007394 /nfs/dbraw/zinc/00/73/94/852007394.db2.gz ZYSGRHRQEWSZMH-YRPNKDGESA-N 1 2 389.927 3.604 20 30 GHEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1cc(C(F)(F)F)ccc1OCCOC ZINC000489460778 852357661 /nfs/dbraw/zinc/35/76/61/852357661.db2.gz HMTDGBJCCYOYKG-HNNXBMFYSA-N 1 2 386.414 3.710 20 30 GHEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc(C(F)(F)F)ccc1OCCOC ZINC000489460778 852357671 /nfs/dbraw/zinc/35/76/71/852357671.db2.gz HMTDGBJCCYOYKG-HNNXBMFYSA-N 1 2 386.414 3.710 20 30 GHEDLO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000489623522 852473283 /nfs/dbraw/zinc/47/32/83/852473283.db2.gz QFHWGOTYSDHNFA-UHFFFAOYSA-N 1 2 398.470 3.803 20 30 GHEDLO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000489623522 852473292 /nfs/dbraw/zinc/47/32/92/852473292.db2.gz QFHWGOTYSDHNFA-UHFFFAOYSA-N 1 2 398.470 3.803 20 30 GHEDLO CC(C)(CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000489718189 852544636 /nfs/dbraw/zinc/54/46/36/852544636.db2.gz YLQAGGUYXOQOMH-UHFFFAOYSA-N 1 2 394.494 3.502 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@@H](CC#N)c2ccccc2)[C@H](C)C1 ZINC001270152921 852601097 /nfs/dbraw/zinc/60/10/97/852601097.db2.gz BVNWSEROVDCEKT-KNQAVFIVSA-N 1 2 391.515 3.815 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@@H](CC#N)c2ccccc2)[C@H](C)C1 ZINC001270152921 852601102 /nfs/dbraw/zinc/60/11/02/852601102.db2.gz BVNWSEROVDCEKT-KNQAVFIVSA-N 1 2 391.515 3.815 20 30 GHEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000505995435 852882013 /nfs/dbraw/zinc/88/20/13/852882013.db2.gz JDYJLSPODZYYMF-XMSQKQJNSA-N 1 2 382.467 3.587 20 30 GHEDLO CC(C)[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)cs2)[C@H]1c1ccc(F)c(F)c1 ZINC000490276578 852887194 /nfs/dbraw/zinc/88/71/94/852887194.db2.gz SHFSJMZRBDDCHE-FUHWJXTLSA-N 1 2 375.444 3.852 20 30 GHEDLO CC(C)[N@H+]1CC[C@H](NC(=O)c2cc(C#N)cs2)[C@H]1c1ccc(F)c(F)c1 ZINC000490276578 852887203 /nfs/dbraw/zinc/88/72/03/852887203.db2.gz SHFSJMZRBDDCHE-FUHWJXTLSA-N 1 2 375.444 3.852 20 30 GHEDLO N#Cc1ccc(NCC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)cc1 ZINC000507400998 852894139 /nfs/dbraw/zinc/89/41/39/852894139.db2.gz IBVLTSLWTIWTJR-UHFFFAOYSA-N 1 2 393.878 3.549 20 30 GHEDLO CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C[C@H](C#N)CCC#N)CC1 ZINC000507551616 853019219 /nfs/dbraw/zinc/01/92/19/853019219.db2.gz MQUZZQKAQNIHEP-QFBILLFUSA-N 1 2 389.341 3.961 20 30 GHEDLO COc1cccc(NC(=O)N2CCC3(C[C@H]3[N@H+](C)Cc3nccs3)CC2)c1 ZINC000329936901 862438894 /nfs/dbraw/zinc/43/88/94/862438894.db2.gz LGALXMSVAWXJHF-QGZVFWFLSA-N 1 2 386.521 3.684 20 30 GHEDLO COc1cccc(NC(=O)N2CCC3(C[C@H]3[N@@H+](C)Cc3nccs3)CC2)c1 ZINC000329936901 862438900 /nfs/dbraw/zinc/43/89/00/862438900.db2.gz LGALXMSVAWXJHF-QGZVFWFLSA-N 1 2 386.521 3.684 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCc3ccccc3)CC2)c(Cl)c1 ZINC000439427750 853637334 /nfs/dbraw/zinc/63/73/34/853637334.db2.gz AZKAFXBAWHGUPA-UHFFFAOYSA-N 1 2 381.907 3.879 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCc3ccccc3)CC2)c(Cl)c1 ZINC000439427750 853637339 /nfs/dbraw/zinc/63/73/39/853637339.db2.gz AZKAFXBAWHGUPA-UHFFFAOYSA-N 1 2 381.907 3.879 20 30 GHEDLO C=CCC[C@H](NC(=O)NCC[N@H+]1CCOC[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000440863022 853686212 /nfs/dbraw/zinc/68/62/12/853686212.db2.gz WNYBUDKAUQTFIP-YJBOKZPZSA-N 1 2 399.457 3.733 20 30 GHEDLO C=CCC[C@H](NC(=O)NCC[N@@H+]1CCOC[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000440863022 853686220 /nfs/dbraw/zinc/68/62/20/853686220.db2.gz WNYBUDKAUQTFIP-YJBOKZPZSA-N 1 2 399.457 3.733 20 30 GHEDLO CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)Cc1ccc(OC)cc1OC ZINC000426402969 853724870 /nfs/dbraw/zinc/72/48/70/853724870.db2.gz JURTZZJKCVBYRJ-UHFFFAOYSA-N 1 2 387.505 3.714 20 30 GHEDLO CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)Cc1ccc(OC)cc1OC ZINC000426402969 853724876 /nfs/dbraw/zinc/72/48/76/853724876.db2.gz JURTZZJKCVBYRJ-UHFFFAOYSA-N 1 2 387.505 3.714 20 30 GHEDLO Cc1nc(CC2CC2)oc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000330033555 862520957 /nfs/dbraw/zinc/52/09/57/862520957.db2.gz VQCTUAHKPQOQRU-SJLPKXTDSA-N 1 2 375.419 3.964 20 30 GHEDLO Cc1nc(CC2CC2)oc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000330033555 862520972 /nfs/dbraw/zinc/52/09/72/862520972.db2.gz VQCTUAHKPQOQRU-SJLPKXTDSA-N 1 2 375.419 3.964 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCc3ccc(C#N)c(F)c3)n2)C1 ZINC000572111295 854395832 /nfs/dbraw/zinc/39/58/32/854395832.db2.gz BUIITHHTGWZXPX-CYBMUJFWSA-N 1 2 387.484 3.707 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCc3ccc(C#N)c(F)c3)n2)C1 ZINC000572111295 854395836 /nfs/dbraw/zinc/39/58/36/854395836.db2.gz BUIITHHTGWZXPX-CYBMUJFWSA-N 1 2 387.484 3.707 20 30 GHEDLO Cc1sc(NC(=O)C[NH+]2CCC(C(N)=O)CC2)nc1-c1ccc(Cl)cc1 ZINC000051200063 854456974 /nfs/dbraw/zinc/45/69/74/854456974.db2.gz WUVXXGAKPBJUGR-UHFFFAOYSA-N 1 2 392.912 3.557 20 30 GHEDLO Cc1cn2c([nH+]1)[C@H](CNC([O-])=[NH+]CCc1ccc(Br)s1)CCC2 ZINC000328662414 854494293 /nfs/dbraw/zinc/49/42/93/854494293.db2.gz XIWCVQCSSISBLH-LBPRGKRZSA-N 1 2 397.342 3.639 20 30 GHEDLO Cc1ccc(NC(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1C(=O)NC(C)C ZINC000330661110 854709647 /nfs/dbraw/zinc/70/96/47/854709647.db2.gz OJCSXEZPOAOWKD-ZWOKBUDYSA-N 1 2 389.540 3.780 20 30 GHEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)Cc1nc(C#N)cs1 ZINC000589495228 854908214 /nfs/dbraw/zinc/90/82/14/854908214.db2.gz JSMFQIIDCXNKKU-UHFFFAOYSA-N 1 2 381.505 3.702 20 30 GHEDLO Cc1ccnc(N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)c1C#N ZINC000553268067 854941138 /nfs/dbraw/zinc/94/11/38/854941138.db2.gz WXUORNAAGXDHSV-UHFFFAOYSA-N 1 2 386.253 3.521 20 30 GHEDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000330168528 862630862 /nfs/dbraw/zinc/63/08/62/862630862.db2.gz AYDJKAWTPNFYNE-KDOFPFPSSA-N 1 2 396.582 3.510 20 30 GHEDLO O=C(Nc1ccc(F)cc1-c1nc(C2CC2)no1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330255738 862697931 /nfs/dbraw/zinc/69/79/31/862697931.db2.gz PUHCGMNSDZYJIK-UHFFFAOYSA-N 1 2 396.426 3.901 20 30 GHEDLO CCc1nnc(NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c(C#N)c1CC ZINC000301630060 855729546 /nfs/dbraw/zinc/72/95/46/855729546.db2.gz IKCTYCKFADKXDJ-UHFFFAOYSA-N 1 2 378.524 3.620 20 30 GHEDLO C[C@H]1CCCC[C@H]1OCC[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000108182408 855747590 /nfs/dbraw/zinc/74/75/90/855747590.db2.gz UBIAYKFCACCYAE-FUHWJXTLSA-N 1 2 384.480 3.524 20 30 GHEDLO Cc1ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc1OCc1cccc(Cl)c1 ZINC000591774922 856293369 /nfs/dbraw/zinc/29/33/69/856293369.db2.gz WSFMIMWOUYSNHK-FQEVSTJZSA-N 1 2 387.911 3.846 20 30 GHEDLO Cc1ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc1OCc1cccc(Cl)c1 ZINC000591774922 856293381 /nfs/dbraw/zinc/29/33/81/856293381.db2.gz WSFMIMWOUYSNHK-FQEVSTJZSA-N 1 2 387.911 3.846 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](Cc3cccc(C(=O)Nc4ccccc4)c3)CC2)nc1 ZINC000060480016 856307255 /nfs/dbraw/zinc/30/72/55/856307255.db2.gz DCSPTBXMDSUGTC-UHFFFAOYSA-N 1 2 397.482 3.528 20 30 GHEDLO COc1cccc(NC2CC[NH+]([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)CC2)c1 ZINC000111305251 856883378 /nfs/dbraw/zinc/88/33/78/856883378.db2.gz XGCMXCDMIDYVEM-OAHLLOKOSA-N 1 2 396.491 3.680 20 30 GHEDLO Cc1ccc(Sc2ccc(C[N@@H+]3CC[C@@](O)(CC#N)C3)cc2[N+](=O)[O-])cc1 ZINC000592524314 856920663 /nfs/dbraw/zinc/92/06/63/856920663.db2.gz XDOSYNGBULGPFA-FQEVSTJZSA-N 1 2 383.473 3.905 20 30 GHEDLO Cc1ccc(Sc2ccc(C[N@H+]3CC[C@@](O)(CC#N)C3)cc2[N+](=O)[O-])cc1 ZINC000592524314 856920669 /nfs/dbraw/zinc/92/06/69/856920669.db2.gz XDOSYNGBULGPFA-FQEVSTJZSA-N 1 2 383.473 3.905 20 30 GHEDLO Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)c1C ZINC000593055473 857204706 /nfs/dbraw/zinc/20/47/06/857204706.db2.gz WCUVCXZQFCBPPY-UHFFFAOYSA-N 1 2 397.416 3.917 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCC[C@H](OC(C)C)C2)c1C#N ZINC000593055997 857205175 /nfs/dbraw/zinc/20/51/75/857205175.db2.gz WXGBVNLIDNGMPP-IBGZPJMESA-N 1 2 386.540 3.920 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@H](OC(C)C)C2)c1C#N ZINC000593055997 857205181 /nfs/dbraw/zinc/20/51/81/857205181.db2.gz WXGBVNLIDNGMPP-IBGZPJMESA-N 1 2 386.540 3.920 20 30 GHEDLO CC(C)O[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000593055951 857205395 /nfs/dbraw/zinc/20/53/95/857205395.db2.gz VNYPOIRJNFETPB-DLBZAZTESA-N 1 2 375.538 3.909 20 30 GHEDLO CC(C)O[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000593055951 857205403 /nfs/dbraw/zinc/20/54/03/857205403.db2.gz VNYPOIRJNFETPB-DLBZAZTESA-N 1 2 375.538 3.909 20 30 GHEDLO CC(C)(C)[N@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000574043881 857226176 /nfs/dbraw/zinc/22/61/76/857226176.db2.gz XRWCGBCCVZLHFT-UHFFFAOYSA-N 1 2 384.411 3.845 20 30 GHEDLO CC(C)(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000574043881 857226183 /nfs/dbraw/zinc/22/61/83/857226183.db2.gz XRWCGBCCVZLHFT-UHFFFAOYSA-N 1 2 384.411 3.845 20 30 GHEDLO N#Cc1ccc(C[N@@H+](CC(=O)NCc2ccco2)Cc2cccc(F)c2)cc1 ZINC000059420192 862895976 /nfs/dbraw/zinc/89/59/76/862895976.db2.gz WOTLORYMXYRQQN-UHFFFAOYSA-N 1 2 377.419 3.609 20 30 GHEDLO N#Cc1ccc(C[N@H+](CC(=O)NCc2ccco2)Cc2cccc(F)c2)cc1 ZINC000059420192 862895989 /nfs/dbraw/zinc/89/59/89/862895989.db2.gz WOTLORYMXYRQQN-UHFFFAOYSA-N 1 2 377.419 3.609 20 30 GHEDLO N#CCNC(=O)C[N@@H+](Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1 ZINC000066496570 858155101 /nfs/dbraw/zinc/15/51/01/858155101.db2.gz JSZYQCRWSRVKSW-UHFFFAOYSA-N 1 2 377.366 3.570 20 30 GHEDLO N#CCNC(=O)C[N@H+](Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1 ZINC000066496570 858155108 /nfs/dbraw/zinc/15/51/08/858155108.db2.gz JSZYQCRWSRVKSW-UHFFFAOYSA-N 1 2 377.366 3.570 20 30 GHEDLO Cc1[nH+]c2c(n1[C@H]1CCN(CC(=O)NC(=O)NC3CCCCC3)C1)CCCC2 ZINC000330346089 863029733 /nfs/dbraw/zinc/02/97/33/863029733.db2.gz GABBIQVWKCHWSL-KRWDZBQOSA-N 1 2 387.528 3.520 20 30 GHEDLO N#Cc1ccc(CC[NH+]2CCN(C(=O)c3cc4ccccc4s3)CC2)cc1 ZINC000595467873 858540242 /nfs/dbraw/zinc/54/02/42/858540242.db2.gz PTZPLZCXDZKKKK-UHFFFAOYSA-N 1 2 375.497 3.773 20 30 GHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@@H](C)c2cscn2)c1C#N ZINC000595669765 858642437 /nfs/dbraw/zinc/64/24/37/858642437.db2.gz ZSFKSSATTZUYBG-AWEZNQCLSA-N 1 2 379.489 3.712 20 30 GHEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000595716307 858656037 /nfs/dbraw/zinc/65/60/37/858656037.db2.gz YJOAKFUMPDTXJY-VFNWGFHPSA-N 1 2 382.533 3.611 20 30 GHEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000595716307 858656040 /nfs/dbraw/zinc/65/60/40/858656040.db2.gz YJOAKFUMPDTXJY-VFNWGFHPSA-N 1 2 382.533 3.611 20 30 GHEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000595716196 858656838 /nfs/dbraw/zinc/65/68/38/858656838.db2.gz WWBZGIAKOXMDDV-INIZCTEOSA-N 1 2 394.544 3.899 20 30 GHEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000595716196 858656841 /nfs/dbraw/zinc/65/68/41/858656841.db2.gz WWBZGIAKOXMDDV-INIZCTEOSA-N 1 2 394.544 3.899 20 30 GHEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N2Cc3cccc(C#N)c3C2)C[C@H](C)O1 ZINC000593145950 858763306 /nfs/dbraw/zinc/76/33/06/858763306.db2.gz GVXJLYBOLYRRKV-IRXDYDNUSA-N 1 2 390.487 3.715 20 30 GHEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2Cc3cccc(C#N)c3C2)C[C@@H](C)O1 ZINC000593145949 858783049 /nfs/dbraw/zinc/78/30/49/858783049.db2.gz GVXJLYBOLYRRKV-IAGOWNOFSA-N 1 2 390.487 3.715 20 30 GHEDLO COC(=O)c1cccc(Cl)c1C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000509279265 858926608 /nfs/dbraw/zinc/92/66/08/858926608.db2.gz NHXPRRBLJPZSNO-UHFFFAOYSA-N 1 2 383.879 3.711 20 30 GHEDLO COC(=O)c1cccc(Cl)c1C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000509279265 858926616 /nfs/dbraw/zinc/92/66/16/858926616.db2.gz NHXPRRBLJPZSNO-UHFFFAOYSA-N 1 2 383.879 3.711 20 30 GHEDLO CCOC(=O)C(CC)(CC)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000429294070 858957072 /nfs/dbraw/zinc/95/70/72/858957072.db2.gz LMPGJUOOMGEMOG-UHFFFAOYSA-N 1 2 391.537 3.539 20 30 GHEDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)[C@H](C)CO1 ZINC000596699952 859016355 /nfs/dbraw/zinc/01/63/55/859016355.db2.gz VCEDHJJHTRZSDD-IAGOWNOFSA-N 1 2 394.475 3.581 20 30 GHEDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)[C@H](C)CO1 ZINC000596699952 859016368 /nfs/dbraw/zinc/01/63/68/859016368.db2.gz VCEDHJJHTRZSDD-IAGOWNOFSA-N 1 2 394.475 3.581 20 30 GHEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1=S ZINC000840112660 859197696 /nfs/dbraw/zinc/19/76/96/859197696.db2.gz AAUNUPNJUWACGO-GUDVDZBRSA-N 1 2 399.564 3.635 20 30 GHEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1=S ZINC000840112660 859197701 /nfs/dbraw/zinc/19/77/01/859197701.db2.gz AAUNUPNJUWACGO-GUDVDZBRSA-N 1 2 399.564 3.635 20 30 GHEDLO CCOCCOc1ccc(Br)cc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000597172876 859324356 /nfs/dbraw/zinc/32/43/56/859324356.db2.gz GGXLJKROSKEEES-OAHLLOKOSA-N 1 2 381.314 3.990 20 30 GHEDLO CCOCCOc1ccc(Br)cc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000597172876 859324366 /nfs/dbraw/zinc/32/43/66/859324366.db2.gz GGXLJKROSKEEES-OAHLLOKOSA-N 1 2 381.314 3.990 20 30 GHEDLO C#CCC(CC#C)C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000764499616 859478958 /nfs/dbraw/zinc/47/89/58/859478958.db2.gz OQKJJJWOOCFYMQ-UHFFFAOYSA-N 1 2 381.479 3.877 20 30 GHEDLO O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000096348783 859773493 /nfs/dbraw/zinc/77/34/93/859773493.db2.gz YAIDFBWVXLRGNV-UHFFFAOYSA-N 1 2 383.373 3.732 20 30 GHEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000154875373 860310357 /nfs/dbraw/zinc/31/03/57/860310357.db2.gz WNXSABJLQWWAFZ-UHFFFAOYSA-N 1 2 397.422 3.967 20 30 GHEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000154875373 860310365 /nfs/dbraw/zinc/31/03/65/860310365.db2.gz WNXSABJLQWWAFZ-UHFFFAOYSA-N 1 2 397.422 3.967 20 30 GHEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)N[C@](C)(c2ccccc2C)C1=O ZINC000728045365 860366779 /nfs/dbraw/zinc/36/67/79/860366779.db2.gz OGQDOCQCTQIEDC-HSZRJFAPSA-N 1 2 390.487 3.503 20 30 GHEDLO CCC[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)N[C@](C)(c2ccccc2C)C1=O ZINC000728045365 860366785 /nfs/dbraw/zinc/36/67/85/860366785.db2.gz OGQDOCQCTQIEDC-HSZRJFAPSA-N 1 2 390.487 3.503 20 30 GHEDLO C=CCc1ccc(OCC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c(OC)c1 ZINC000054224764 860449139 /nfs/dbraw/zinc/44/91/39/860449139.db2.gz NMAVPWZXWFBKSA-UHFFFAOYSA-N 1 2 381.407 3.766 20 30 GHEDLO C[N@@H+]1CCO[C@@H]([C@H](Nc2ncc(C#N)cc2Cl)c2ccc(Cl)cc2)C1 ZINC000125359453 860645064 /nfs/dbraw/zinc/64/50/64/860645064.db2.gz BHISLMCPFNXMQD-IAGOWNOFSA-N 1 2 377.275 3.744 20 30 GHEDLO C[N@H+]1CCO[C@@H]([C@H](Nc2ncc(C#N)cc2Cl)c2ccc(Cl)cc2)C1 ZINC000125359453 860645067 /nfs/dbraw/zinc/64/50/67/860645067.db2.gz BHISLMCPFNXMQD-IAGOWNOFSA-N 1 2 377.275 3.744 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCc3ccc(Cl)c(F)c3)CC2)cc1 ZINC000598977144 860710555 /nfs/dbraw/zinc/71/05/55/860710555.db2.gz HAUIPSYGUPYOKB-UHFFFAOYSA-N 1 2 385.870 3.628 20 30 GHEDLO C[C@H](NC(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1)c1cccc(C#N)c1 ZINC000598998207 860717790 /nfs/dbraw/zinc/71/77/90/860717790.db2.gz HQEIPRIRNPQDIQ-KRWDZBQOSA-N 1 2 387.487 3.628 20 30 GHEDLO COc1cc(C#N)ccc1S(=O)(=O)Nc1cccc2c1C[N@@H+]([C@H](C)C(C)C)C2 ZINC000185706129 861110775 /nfs/dbraw/zinc/11/07/75/861110775.db2.gz XPOQXBKRRMKDNR-OAHLLOKOSA-N 1 2 399.516 3.728 20 30 GHEDLO COc1cc(C#N)ccc1S(=O)(=O)Nc1cccc2c1C[N@H+]([C@H](C)C(C)C)C2 ZINC000185706129 861110780 /nfs/dbraw/zinc/11/07/80/861110780.db2.gz XPOQXBKRRMKDNR-OAHLLOKOSA-N 1 2 399.516 3.728 20 30 GHEDLO Fc1cc(C[N@@H+]2CCCN(CC(F)(F)F)CC2)ccc1OCC(F)(F)F ZINC000183254746 863522020 /nfs/dbraw/zinc/52/20/20/863522020.db2.gz LXTJYAVSJZUZGS-UHFFFAOYSA-N 1 2 388.327 3.837 20 30 GHEDLO Fc1cc(C[N@H+]2CCCN(CC(F)(F)F)CC2)ccc1OCC(F)(F)F ZINC000183254746 863522033 /nfs/dbraw/zinc/52/20/33/863522033.db2.gz LXTJYAVSJZUZGS-UHFFFAOYSA-N 1 2 388.327 3.837 20 30 GHEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000593974482 863589730 /nfs/dbraw/zinc/58/97/30/863589730.db2.gz CPSCZKNWAOMUHK-MSOLQXFVSA-N 1 2 377.488 3.769 20 30 GHEDLO Cc1sc(NC(=O)C[NH2+][C@H](COCC(C)C)c2ccco2)c(C#N)c1C ZINC000184213330 864200520 /nfs/dbraw/zinc/20/05/20/864200520.db2.gz QMJJEECEXNWSSL-MRXNPFEDSA-N 1 2 375.494 3.772 20 30 GHEDLO CC1(C)COCC[N@@H+]1CCNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000728390032 864433866 /nfs/dbraw/zinc/43/38/66/864433866.db2.gz DRKRJYCELGGJCA-OAQYLSRUSA-N 1 2 392.503 3.574 20 30 GHEDLO CC1(C)COCC[N@H+]1CCNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000728390032 864433883 /nfs/dbraw/zinc/43/38/83/864433883.db2.gz DRKRJYCELGGJCA-OAQYLSRUSA-N 1 2 392.503 3.574 20 30 GHEDLO C[C@H](c1ccccc1)[C@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000475274892 864677765 /nfs/dbraw/zinc/67/77/65/864677765.db2.gz DRJPGSYZTLVBOR-OALUTQOASA-N 1 2 376.504 3.578 20 30 GHEDLO C=CC[N@@H+](CC(=O)N(C)Cc1ccc(OCC)cc1)Cc1cccc(C#N)c1 ZINC000063388226 864687183 /nfs/dbraw/zinc/68/71/83/864687183.db2.gz AZNZRIFVNQVRJE-UHFFFAOYSA-N 1 2 377.488 3.604 20 30 GHEDLO C=CC[N@H+](CC(=O)N(C)Cc1ccc(OCC)cc1)Cc1cccc(C#N)c1 ZINC000063388226 864687188 /nfs/dbraw/zinc/68/71/88/864687188.db2.gz AZNZRIFVNQVRJE-UHFFFAOYSA-N 1 2 377.488 3.604 20 30 GHEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792908439 881793714 /nfs/dbraw/zinc/79/37/14/881793714.db2.gz WANFWCBMVKCVLF-RPVQJOFSSA-N 1 2 398.309 3.977 20 30 GHEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792908439 881793727 /nfs/dbraw/zinc/79/37/27/881793727.db2.gz WANFWCBMVKCVLF-RPVQJOFSSA-N 1 2 398.309 3.977 20 30 GHEDLO CC(C)[C@@H](C(=O)Nc1cccc(C#Cc2ccccn2)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000063501961 864867081 /nfs/dbraw/zinc/86/70/81/864867081.db2.gz RYLPPJNGYGTEPH-YYDVJCTNSA-N 1 2 391.515 3.554 20 30 GHEDLO CC(C)[C@@H](C(=O)Nc1cccc(C#Cc2ccccn2)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000063501961 864867093 /nfs/dbraw/zinc/86/70/93/864867093.db2.gz RYLPPJNGYGTEPH-YYDVJCTNSA-N 1 2 391.515 3.554 20 30 GHEDLO COc1cc2c(c(OC)c1OC)CC[N@H+](Cc1ccc(Cl)cc1C#N)CC2 ZINC000480587584 864918565 /nfs/dbraw/zinc/91/85/65/864918565.db2.gz XOOACYXNIMEXAA-UHFFFAOYSA-N 1 2 386.879 3.838 20 30 GHEDLO COc1cc2c(c(OC)c1OC)CC[N@@H+](Cc1ccc(Cl)cc1C#N)CC2 ZINC000480587584 864918569 /nfs/dbraw/zinc/91/85/69/864918569.db2.gz XOOACYXNIMEXAA-UHFFFAOYSA-N 1 2 386.879 3.838 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(CN2CCC[C@@H](n3cc[nH+]c3)C2)c1=S ZINC000738158647 865499292 /nfs/dbraw/zinc/49/92/92/865499292.db2.gz OJUMCSPGOYVWTC-GOSISDBHSA-N 1 2 398.511 3.897 20 30 GHEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[NH+]1CCC(Cc2ccc(OC)cc2)CC1 ZINC000739912052 865826738 /nfs/dbraw/zinc/82/67/38/865826738.db2.gz FDHKSPZKEPCSBR-QFIPXVFZSA-N 1 2 378.472 3.736 20 30 GHEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000594334137 865874152 /nfs/dbraw/zinc/87/41/52/865874152.db2.gz ZZYBXBJSWFWKEZ-XMDBHEJHSA-N 1 2 383.442 3.577 20 30 GHEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000594334137 865874163 /nfs/dbraw/zinc/87/41/63/865874163.db2.gz ZZYBXBJSWFWKEZ-XMDBHEJHSA-N 1 2 383.442 3.577 20 30 GHEDLO C=C(C)CNC(=S)N(CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000740618586 865957290 /nfs/dbraw/zinc/95/72/90/865957290.db2.gz LRTGYKGBDXGJKR-UHFFFAOYSA-N 1 2 375.586 3.650 20 30 GHEDLO c1cn(-c2ccc(CN=Nc3nc(-c4ccccn4)nc4c3CCC4)cc2)c[nH+]1 ZINC000741812929 866811140 /nfs/dbraw/zinc/81/11/40/866811140.db2.gz FDBUJWQOAWPTKC-UHFFFAOYSA-N 1 2 381.443 3.659 20 30 GHEDLO N#Cc1cnc2c(Br)cccc2c1N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000440637898 867693352 /nfs/dbraw/zinc/69/33/52/867693352.db2.gz PEBHXGCJJICXBT-HNNXBMFYSA-N 1 2 395.260 3.922 20 30 GHEDLO C=CCOc1cccc(C[NH+]2CCN(Cc3nc(-c4ccccc4)no3)CC2)c1 ZINC000535070536 868102857 /nfs/dbraw/zinc/10/28/57/868102857.db2.gz YODUEMKRYTVERN-UHFFFAOYSA-N 1 2 390.487 3.619 20 30 GHEDLO CC(=O)c1ccc2c(c1)CC[N@H+]([C@H](C)C(=O)N(CCC#N)c1ccccc1)CC2 ZINC000535211533 868380680 /nfs/dbraw/zinc/38/06/80/868380680.db2.gz LNFMFXLIYLEGGX-GOSISDBHSA-N 1 2 389.499 3.625 20 30 GHEDLO CC(=O)c1ccc2c(c1)CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c1ccccc1)CC2 ZINC000535211533 868380698 /nfs/dbraw/zinc/38/06/98/868380698.db2.gz LNFMFXLIYLEGGX-GOSISDBHSA-N 1 2 389.499 3.625 20 30 GHEDLO N#C[C@@H](C(=O)c1ccc(C[NH+]2CCSCC2)cc1)c1cnc2ccccc2n1 ZINC000554011848 868619257 /nfs/dbraw/zinc/61/92/57/868619257.db2.gz BHTOWOMBFVZRJW-GOSISDBHSA-N 1 2 388.496 3.669 20 30 GHEDLO CC(C)[C@H](C(=O)Nc1cccc(C#Cc2ccccn2)c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000621107212 868720928 /nfs/dbraw/zinc/72/09/28/868720928.db2.gz RYLPPJNGYGTEPH-DNVFCKCGSA-N 1 2 391.515 3.554 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3ccc(C4CC4)cc3F)CC2)cc1 ZINC000491258984 869225965 /nfs/dbraw/zinc/22/59/65/869225965.db2.gz NFXZCBGCODCIRZ-UHFFFAOYSA-N 1 2 392.478 3.602 20 30 GHEDLO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)c1cnc(C)c(C#N)c1 ZINC001192296614 870272901 /nfs/dbraw/zinc/27/29/01/870272901.db2.gz LBKWRGQIHAMGQD-UHFFFAOYSA-N 1 2 397.438 3.518 20 30 GHEDLO N#Cc1cccc(S(=O)(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)c1 ZINC000446957879 870769690 /nfs/dbraw/zinc/76/96/90/870769690.db2.gz BJHQBIKFRZUIRR-UHFFFAOYSA-N 1 2 378.457 3.559 20 30 GHEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCc3c(Br)ccc(Cl)c3C2)CCC1 ZINC001168967749 871062735 /nfs/dbraw/zinc/06/27/35/871062735.db2.gz ACRLSSJMMSTZHN-GFCCVEGCSA-N 1 2 383.717 3.905 20 30 GHEDLO N#CC1(C[C@@H](O)C[N@H+]2CCc3c(Br)ccc(Cl)c3C2)CCC1 ZINC001168967749 871062755 /nfs/dbraw/zinc/06/27/55/871062755.db2.gz ACRLSSJMMSTZHN-GFCCVEGCSA-N 1 2 383.717 3.905 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000463421563 871697606 /nfs/dbraw/zinc/69/76/06/871697606.db2.gz KPMKLIUSJMNKLJ-INIZCTEOSA-N 1 2 382.529 3.904 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000463421563 871697616 /nfs/dbraw/zinc/69/76/16/871697616.db2.gz KPMKLIUSJMNKLJ-INIZCTEOSA-N 1 2 382.529 3.904 20 30 GHEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(NC[C@H](CO)Cc2ccccc2)[nH+]1 ZINC001169897526 871985820 /nfs/dbraw/zinc/98/58/20/871985820.db2.gz GCSMQPZDARWVFW-KCYUWIRTSA-N 1 2 387.549 3.534 20 30 GHEDLO Cn1c[nH+]cc1-c1cccc(C(=O)N2CCC[C@H](Oc3ccc(C#N)cc3)C2)c1 ZINC001194909525 872026795 /nfs/dbraw/zinc/02/67/95/872026795.db2.gz NFGDNTCUVFLLFH-NRFANRHFSA-N 1 2 386.455 3.642 20 30 GHEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)N[C@@H]1CCc2cc(C#N)ccc21)c1ccccc1 ZINC000618819279 872028019 /nfs/dbraw/zinc/02/80/19/872028019.db2.gz HLYZKXFISNZGDX-NHCUHLMSSA-N 1 2 385.471 3.562 20 30 GHEDLO CCc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCc4cc(C#N)ccc43)CC2)s1 ZINC000618843261 872055394 /nfs/dbraw/zinc/05/53/94/872055394.db2.gz VKWHGIDMVYGCQJ-OAQYLSRUSA-N 1 2 394.544 3.697 20 30 GHEDLO N#Cc1cccnc1N1CC[NH+](Cc2ccc(SC(F)(F)F)cc2)CC1 ZINC000768218929 873171036 /nfs/dbraw/zinc/17/10/36/873171036.db2.gz CNLIBXJEFPHSJG-UHFFFAOYSA-N 1 2 378.423 3.887 20 30 GHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=S)Nc1ccccc1C#N ZINC000743039157 873184610 /nfs/dbraw/zinc/18/46/10/873184610.db2.gz XJWAVTCOKDAHNY-UHFFFAOYSA-N 1 2 379.533 3.889 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC[C@H]3c3ccc(F)cc3)CC2)cc1 ZINC000527684453 873490100 /nfs/dbraw/zinc/49/01/00/873490100.db2.gz KEYQNORAMFACIG-FCHUYYIVSA-N 1 2 377.463 3.535 20 30 GHEDLO C#CCCOc1ccc(C[NH+]2CCN(C(=O)CCCc3ccccc3)CC2)cc1 ZINC000769234035 873909021 /nfs/dbraw/zinc/90/90/21/873909021.db2.gz XXRHQXYZWZBRQR-UHFFFAOYSA-N 1 2 390.527 3.756 20 30 GHEDLO C#CC[N@@H+](Cc1nc(C)ccc1O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000769402925 874023154 /nfs/dbraw/zinc/02/31/54/874023154.db2.gz AMWWSDKLLSOPLK-QGZVFWFLSA-N 1 2 387.277 3.817 20 30 GHEDLO C#CC[N@H+](Cc1nc(C)ccc1O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000769402925 874023174 /nfs/dbraw/zinc/02/31/74/874023174.db2.gz AMWWSDKLLSOPLK-QGZVFWFLSA-N 1 2 387.277 3.817 20 30 GHEDLO CC(C)(C)OC(=O)NCc1ccc(C(N)=[NH+]OCc2cccnc2Cl)cc1 ZINC000769843101 874320660 /nfs/dbraw/zinc/32/06/60/874320660.db2.gz WLHDKVUOBQWCRA-UHFFFAOYSA-N 1 2 390.871 3.597 20 30 GHEDLO CC(C)(C)OC(=O)NCc1ccc(C(N)=[NH+]OCc2cnc(Cl)s2)cc1 ZINC000769842272 874320836 /nfs/dbraw/zinc/32/08/36/874320836.db2.gz LQDLUBVUSXDFFI-UHFFFAOYSA-N 1 2 396.900 3.658 20 30 GHEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(Oc2ccc(Br)cc2)nc1 ZINC000769962084 874366787 /nfs/dbraw/zinc/36/67/87/874366787.db2.gz PXOQUOKTCYWKSA-CYBMUJFWSA-N 1 2 388.265 3.528 20 30 GHEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(Oc2ccc(Br)cc2)nc1 ZINC000769962084 874366799 /nfs/dbraw/zinc/36/67/99/874366799.db2.gz PXOQUOKTCYWKSA-CYBMUJFWSA-N 1 2 388.265 3.528 20 30 GHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000443645083 874695370 /nfs/dbraw/zinc/69/53/70/874695370.db2.gz HIAVJWQUKQBQHG-OXJNMPFZSA-N 1 2 393.418 3.932 20 30 GHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000443645083 874695373 /nfs/dbraw/zinc/69/53/73/874695373.db2.gz HIAVJWQUKQBQHG-OXJNMPFZSA-N 1 2 393.418 3.932 20 30 GHEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H]1c1ccc(Br)cc1 ZINC000528560954 874707480 /nfs/dbraw/zinc/70/74/80/874707480.db2.gz PIONKMALFZFZLI-QZTJIDSGSA-N 1 2 387.277 3.507 20 30 GHEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H]1c1ccc(Br)cc1 ZINC000528560954 874707486 /nfs/dbraw/zinc/70/74/86/874707486.db2.gz PIONKMALFZFZLI-QZTJIDSGSA-N 1 2 387.277 3.507 20 30 GHEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000804453993 882866682 /nfs/dbraw/zinc/86/66/82/882866682.db2.gz MLMQWRNNFAULMY-IBGZPJMESA-N 1 2 377.513 3.627 20 30 GHEDLO C[C@H]1CN(CC(F)(F)F)CC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000449669485 875218032 /nfs/dbraw/zinc/21/80/32/875218032.db2.gz VOICNCOHNKBLSG-GFCCVEGCSA-N 1 2 379.348 3.893 20 30 GHEDLO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000449669485 875218041 /nfs/dbraw/zinc/21/80/41/875218041.db2.gz VOICNCOHNKBLSG-GFCCVEGCSA-N 1 2 379.348 3.893 20 30 GHEDLO CC[C@@H](Nc1nc(Cl)c(C#N)s1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000804553403 883017726 /nfs/dbraw/zinc/01/77/26/883017726.db2.gz RPUMEAPDMVFGPR-HUUCEWRRSA-N 1 2 376.913 3.760 20 30 GHEDLO CC[C@@H](Nc1nc(Cl)c(C#N)s1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000804553403 883017742 /nfs/dbraw/zinc/01/77/42/883017742.db2.gz RPUMEAPDMVFGPR-HUUCEWRRSA-N 1 2 376.913 3.760 20 30 GHEDLO Cc1cccc(C[NH+]2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)n1 ZINC000450659460 876744427 /nfs/dbraw/zinc/74/44/27/876744427.db2.gz QPSOCWWPXJOKSC-LJQANCHMSA-N 1 2 385.309 3.535 20 30 GHEDLO CC[C@@H]1C[N@H+](Cc2cc(C#N)ccc2Br)[C@@H](CC)CN1C(C)=O ZINC000492655595 877260383 /nfs/dbraw/zinc/26/03/83/877260383.db2.gz PBDPBSJIFKMEJA-DLBZAZTESA-N 1 2 378.314 3.542 20 30 GHEDLO CC[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)[C@@H](CC)CN1C(C)=O ZINC000492655595 877260397 /nfs/dbraw/zinc/26/03/97/877260397.db2.gz PBDPBSJIFKMEJA-DLBZAZTESA-N 1 2 378.314 3.542 20 30 GHEDLO CC(C)(C(=O)OCC1CCN(c2cccc[nH+]2)CC1)c1cc(F)cc(C#N)c1 ZINC000851400918 877668277 /nfs/dbraw/zinc/66/82/77/877668277.db2.gz WREOZRYNEDGKKK-UHFFFAOYSA-N 1 2 381.451 3.830 20 30 GHEDLO CCCc1nc(CO[NH+]=C(N)c2cccc(Cn3nc(C)cc3C)c2)cs1 ZINC000110180126 877895038 /nfs/dbraw/zinc/89/50/38/877895038.db2.gz PYGPUGHKVBVLNR-UHFFFAOYSA-N 1 2 383.521 3.794 20 30 GHEDLO NC(Cc1ccccc1Cl)=[NH+]OCC(=O)Nc1ccccc1C(F)(F)F ZINC000111177025 877990372 /nfs/dbraw/zinc/99/03/72/877990372.db2.gz NIIUJJMGEXBUHP-UHFFFAOYSA-N 1 2 385.773 3.829 20 30 GHEDLO CCO[C@H]1CC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1C ZINC000451542211 878108235 /nfs/dbraw/zinc/10/82/35/878108235.db2.gz MZCFJOZTLKZLGA-YOEHRIQHSA-N 1 2 375.538 3.574 20 30 GHEDLO CCO[C@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1C ZINC000451542211 878108240 /nfs/dbraw/zinc/10/82/40/878108240.db2.gz MZCFJOZTLKZLGA-YOEHRIQHSA-N 1 2 375.538 3.574 20 30 GHEDLO C[C@H](OC[C@H](O)C[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1)c1ccc(Cl)cc1 ZINC000852327691 878244578 /nfs/dbraw/zinc/24/45/78/878244578.db2.gz UTIZTNTWINCQDO-UCNVEGJOSA-N 1 2 399.922 3.731 20 30 GHEDLO C[C@H](OC[C@H](O)C[N@H+]1CCC[C@](C#N)(c2ccccn2)C1)c1ccc(Cl)cc1 ZINC000852327691 878244596 /nfs/dbraw/zinc/24/45/96/878244596.db2.gz UTIZTNTWINCQDO-UCNVEGJOSA-N 1 2 399.922 3.731 20 30 GHEDLO Cn1c[nH+]c(CCNC(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)c1 ZINC000616207599 878658746 /nfs/dbraw/zinc/65/87/46/878658746.db2.gz HOYVIVNOQSDAMD-UHFFFAOYSA-N 1 2 397.294 3.682 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)c(C)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538030126 878700182 /nfs/dbraw/zinc/70/01/82/878700182.db2.gz VWVYAGAYKORDHS-PKOBYXMFSA-N 1 2 386.858 3.620 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)c(C)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538030126 878700192 /nfs/dbraw/zinc/70/01/92/878700192.db2.gz VWVYAGAYKORDHS-PKOBYXMFSA-N 1 2 386.858 3.620 20 30 GHEDLO N#Cc1cc(F)ccc1N1CCC[C@H](OC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000789474735 878962970 /nfs/dbraw/zinc/96/29/70/878962970.db2.gz UGVQRYCETRJWOB-FQEVSTJZSA-N 1 2 390.418 3.709 20 30 GHEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000789556081 879087208 /nfs/dbraw/zinc/08/72/08/879087208.db2.gz YGNBMDSLZUTWTM-LJQANCHMSA-N 1 2 396.535 3.905 20 30 GHEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(N(C)c3ccccc3)cc2)n1 ZINC000789760907 879240849 /nfs/dbraw/zinc/24/08/49/879240849.db2.gz NZPBCQSXAGIILE-UHFFFAOYSA-N 1 2 388.515 3.933 20 30 GHEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(N(C)c3ccccc3)cc2)n1 ZINC000789760907 879240866 /nfs/dbraw/zinc/24/08/66/879240866.db2.gz NZPBCQSXAGIILE-UHFFFAOYSA-N 1 2 388.515 3.933 20 30 GHEDLO Cc1noc([C@@H]2CCCC[N@@H+]2CCC(=O)Nc2sc3c(c2C#N)CCCC3)n1 ZINC000285802373 912447185 /nfs/dbraw/zinc/44/71/85/912447185.db2.gz VJCDGJPEJPNALS-INIZCTEOSA-N 1 2 399.520 3.746 20 30 GHEDLO Cc1noc([C@@H]2CCCC[N@H+]2CCC(=O)Nc2sc3c(c2C#N)CCCC3)n1 ZINC000285802373 912447194 /nfs/dbraw/zinc/44/71/94/912447194.db2.gz VJCDGJPEJPNALS-INIZCTEOSA-N 1 2 399.520 3.746 20 30 GHEDLO C=CCOc1ccc(/C=C\C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)cc1OC ZINC000746863823 879372199 /nfs/dbraw/zinc/37/21/99/879372199.db2.gz FAVDEWKNOCRMSK-LUAWRHEFSA-N 1 2 396.487 3.952 20 30 GHEDLO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccccc1C#N)c1ccccc1Cl ZINC000499106054 881090265 /nfs/dbraw/zinc/09/02/65/881090265.db2.gz FSKNXVSSOITJTQ-GOSISDBHSA-N 1 2 391.924 3.573 20 30 GHEDLO CC(C)(C)C[C@@H]1CC(=O)N(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)C1 ZINC000795714936 912655348 /nfs/dbraw/zinc/65/53/48/912655348.db2.gz VOTFGWTZHKXWFO-KRWDZBQOSA-N 1 2 387.499 3.783 20 30 GHEDLO COc1ccc(C[C@H](C)[NH2+]CC(F)(F)C(F)(F)C(F)(F)F)c([N+](=O)[O-])c1 ZINC001170297725 881319037 /nfs/dbraw/zinc/31/90/37/881319037.db2.gz QZQFACXIKHGUTR-QMMMGPOBSA-N 1 2 392.271 3.957 20 30 GHEDLO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C(c2ccnn2C)c2ccnn2C)cc1 ZINC000858581544 883211383 /nfs/dbraw/zinc/21/13/83/883211383.db2.gz KRQSVHJDTYBKRB-OAHLLOKOSA-N 1 2 385.899 3.725 20 30 GHEDLO COc1ccc2c(c1)C[N@H+]([C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)CC2 ZINC000609635452 883490979 /nfs/dbraw/zinc/49/09/79/883490979.db2.gz VKZXZZBITXOWBA-INIZCTEOSA-N 1 2 381.451 3.528 20 30 GHEDLO COc1ccc2c(c1)C[N@@H+]([C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)CC2 ZINC000609635452 883490984 /nfs/dbraw/zinc/49/09/84/883490984.db2.gz VKZXZZBITXOWBA-INIZCTEOSA-N 1 2 381.451 3.528 20 30 GHEDLO C#CCN(Cc1ccccc1)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000806213178 884455302 /nfs/dbraw/zinc/45/53/02/884455302.db2.gz MFXCPOYRGGEQPV-BGYRXZFFSA-N 1 2 391.515 3.963 20 30 GHEDLO C#CCN(Cc1ccccc1)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000806213178 884455306 /nfs/dbraw/zinc/45/53/06/884455306.db2.gz MFXCPOYRGGEQPV-BGYRXZFFSA-N 1 2 391.515 3.963 20 30 GHEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000806260956 884512751 /nfs/dbraw/zinc/51/27/51/884512751.db2.gz YEWSIZATJUSSRI-UGKGYDQZSA-N 1 2 391.515 3.836 20 30 GHEDLO N#Cc1ccccc1CN1CCCC[C@@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001183829137 912834914 /nfs/dbraw/zinc/83/49/14/912834914.db2.gz IYKMEXVHCIKZNU-JOCHJYFZSA-N 1 2 385.471 3.737 20 30 GHEDLO Cn1c(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)cc2ccccc21 ZINC001183839599 912844451 /nfs/dbraw/zinc/84/44/51/912844451.db2.gz ZGGMXVLZQRWDAW-HSZRJFAPSA-N 1 2 386.499 3.721 20 30 GHEDLO Cn1c(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)cc2ccccc21 ZINC001183839599 912844466 /nfs/dbraw/zinc/84/44/66/912844466.db2.gz ZGGMXVLZQRWDAW-HSZRJFAPSA-N 1 2 386.499 3.721 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044439036 884853346 /nfs/dbraw/zinc/85/33/46/884853346.db2.gz WVMRMKRYXWIRNR-OAHLLOKOSA-N 1 2 387.430 3.741 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044439036 884853354 /nfs/dbraw/zinc/85/33/54/884853354.db2.gz WVMRMKRYXWIRNR-OAHLLOKOSA-N 1 2 387.430 3.741 20 30 GHEDLO C#CCN(Cc1ccccc1)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000806868640 885069840 /nfs/dbraw/zinc/06/98/40/885069840.db2.gz WTOYTLODDCUFRG-UHFFFAOYSA-N 1 2 390.531 3.566 20 30 GHEDLO C#CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000807046073 885175664 /nfs/dbraw/zinc/17/56/64/885175664.db2.gz OMCLSGBBGQMQSP-LEWJYISDSA-N 1 2 383.442 3.555 20 30 GHEDLO C#CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000807046073 885175675 /nfs/dbraw/zinc/17/56/75/885175675.db2.gz OMCLSGBBGQMQSP-LEWJYISDSA-N 1 2 383.442 3.555 20 30 GHEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N(Cc1ccco1)c1ccccc1C#N ZINC000498779622 885686944 /nfs/dbraw/zinc/68/69/44/885686944.db2.gz CSQGJKNDHSCHEB-YLJYHZDGSA-N 1 2 386.455 3.852 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH+]2CCC(OC(C)C)CC2)c1C#N ZINC000532633046 886588596 /nfs/dbraw/zinc/58/85/96/886588596.db2.gz LLHFZEFTTJDQSF-UHFFFAOYSA-N 1 2 386.540 3.920 20 30 GHEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)cc1 ZINC000808778541 886764242 /nfs/dbraw/zinc/76/42/42/886764242.db2.gz ZLNGQNXFASNLRF-RTBURBONSA-N 1 2 392.377 3.564 20 30 GHEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)cc1 ZINC000808778541 886764254 /nfs/dbraw/zinc/76/42/54/886764254.db2.gz ZLNGQNXFASNLRF-RTBURBONSA-N 1 2 392.377 3.564 20 30 GHEDLO C[NH+](C)Cc1cnc(/C=C2/Oc3cc(Br)c(F)cc3C2=O)s1 ZINC000794714936 887963873 /nfs/dbraw/zinc/96/38/73/887963873.db2.gz UDRPXYCNLSZASH-WLRTZDKTSA-N 1 2 383.242 3.723 20 30 GHEDLO CCOc1ccc(NC(=S)NN=C(C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000915927166 888562730 /nfs/dbraw/zinc/56/27/30/888562730.db2.gz YOFIFCDUVTYMLX-UHFFFAOYSA-N 1 2 379.489 3.982 20 30 GHEDLO CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000810532912 888607266 /nfs/dbraw/zinc/60/72/66/888607266.db2.gz WKVJRFNPNLYVDI-GCJKJVERSA-N 1 2 387.499 3.889 20 30 GHEDLO CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)cc1 ZINC000810532912 888607271 /nfs/dbraw/zinc/60/72/71/888607271.db2.gz WKVJRFNPNLYVDI-GCJKJVERSA-N 1 2 387.499 3.889 20 30 GHEDLO CN(CCc1cccc(C#N)c1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000866100541 888733026 /nfs/dbraw/zinc/73/30/26/888733026.db2.gz AHHLWUKGYLGDHU-UHFFFAOYSA-N 1 2 383.521 3.707 20 30 GHEDLO C[C@H]([NH2+][C@@H](CCO)c1ccccc1Br)c1cccc(C#N)c1O ZINC000866335096 888835997 /nfs/dbraw/zinc/83/59/97/888835997.db2.gz DNECHLPBQYINOI-SJCJKPOMSA-N 1 2 375.266 3.801 20 30 GHEDLO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC001132621756 889202039 /nfs/dbraw/zinc/20/20/39/889202039.db2.gz JCCOUXSDMHYMEH-NRFANRHFSA-N 1 2 387.439 3.647 20 30 GHEDLO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC001132621756 889202051 /nfs/dbraw/zinc/20/20/51/889202051.db2.gz JCCOUXSDMHYMEH-NRFANRHFSA-N 1 2 387.439 3.647 20 30 GHEDLO CCc1ccc(C[NH+]2CCN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)CC2)cc1 ZINC001132891499 889769969 /nfs/dbraw/zinc/76/99/69/889769969.db2.gz DZVQGLPIQYOMLU-UHFFFAOYSA-N 1 2 391.515 3.622 20 30 GHEDLO C=CCCCCC[N@H+]1C[C@]2(F)CN(C[C@@H](C)CC(F)(F)F)C(=O)[C@]2(F)C1 ZINC001275328695 913388258 /nfs/dbraw/zinc/38/82/58/913388258.db2.gz AXHQURMNCWLGGE-BHYGNILZSA-N 1 2 382.417 3.896 20 30 GHEDLO C=CCCCCC[N@@H+]1C[C@]2(F)CN(C[C@@H](C)CC(F)(F)F)C(=O)[C@]2(F)C1 ZINC001275328695 913388269 /nfs/dbraw/zinc/38/82/69/913388269.db2.gz AXHQURMNCWLGGE-BHYGNILZSA-N 1 2 382.417 3.896 20 30 GHEDLO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccc(OC)cc1OC ZINC000533256562 890109049 /nfs/dbraw/zinc/10/90/49/890109049.db2.gz REWYGCBTHVEIQB-UHFFFAOYSA-N 1 2 387.867 3.689 20 30 GHEDLO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccc(OC)cc1OC ZINC000533256562 890109056 /nfs/dbraw/zinc/10/90/56/890109056.db2.gz REWYGCBTHVEIQB-UHFFFAOYSA-N 1 2 387.867 3.689 20 30 GHEDLO CCOC(=O)c1c(NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)sc(C)c1CC ZINC000026326058 890345203 /nfs/dbraw/zinc/34/52/03/890345203.db2.gz WGPNCLRCSWYRKB-UHFFFAOYSA-N 1 2 399.516 3.738 20 30 GHEDLO CCOC(=O)c1c(NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)sc(C)c1CC ZINC000026326058 890345217 /nfs/dbraw/zinc/34/52/17/890345217.db2.gz WGPNCLRCSWYRKB-UHFFFAOYSA-N 1 2 399.516 3.738 20 30 GHEDLO N#Cc1cccc(OC2CC[NH+](CC(=O)Nc3ccc(F)c(Cl)c3)CC2)c1 ZINC000533424771 890528024 /nfs/dbraw/zinc/52/80/24/890528024.db2.gz ZSDGOJYNPPQEAT-UHFFFAOYSA-N 1 2 387.842 3.833 20 30 GHEDLO CC(=[NH+]NC(=S)Nc1ccc(C)c(C)c1)c1cccc(N2CCOCC2)c1 ZINC000812382091 890591379 /nfs/dbraw/zinc/59/13/79/890591379.db2.gz CBJOHDXXZLRNAA-UHFFFAOYSA-N 1 2 382.533 3.851 20 30 GHEDLO C[C@]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)(C(N)=O)c1cccc(Cl)c1 ZINC000127256848 890974005 /nfs/dbraw/zinc/97/40/05/890974005.db2.gz RMGWOGIBPSNDNX-GOSISDBHSA-N 1 2 396.796 3.580 20 30 GHEDLO C#C[C@@H](NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)c1ccc(F)cc1 ZINC000812934812 891140704 /nfs/dbraw/zinc/14/07/04/891140704.db2.gz PDGDPFQQHBKEET-IIBYNOLFSA-N 1 2 381.451 3.715 20 30 GHEDLO Cc1cc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000123945674 891145771 /nfs/dbraw/zinc/14/57/71/891145771.db2.gz XOUMVSDEPXELMG-OPAMFIHVSA-N 1 2 387.487 3.886 20 30 GHEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c(Cl)cccc1OC(F)(F)F ZINC001275372425 913595848 /nfs/dbraw/zinc/59/58/48/913595848.db2.gz CHBVFTAJFIPGBM-HUUCEWRRSA-N 1 2 388.817 3.990 20 30 GHEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(Cl)cccc1OC(F)(F)F ZINC001275372425 913595858 /nfs/dbraw/zinc/59/58/58/913595858.db2.gz CHBVFTAJFIPGBM-HUUCEWRRSA-N 1 2 388.817 3.990 20 30 GHEDLO N#Cc1ccccc1COc1cccc(CN2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000508674493 891912059 /nfs/dbraw/zinc/91/20/59/891912059.db2.gz CAXVXWXENPSYDE-UHFFFAOYSA-N 1 2 398.510 3.850 20 30 GHEDLO N#CCCN(C(=O)C[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1)c1ccccc1 ZINC000128532328 892073033 /nfs/dbraw/zinc/07/30/33/892073033.db2.gz YYGKVXUXQOVMPM-GOSISDBHSA-N 1 2 383.879 3.740 20 30 GHEDLO N#CCCN(C(=O)C[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1)c1ccccc1 ZINC000128532328 892073053 /nfs/dbraw/zinc/07/30/53/892073053.db2.gz YYGKVXUXQOVMPM-GOSISDBHSA-N 1 2 383.879 3.740 20 30 GHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC(C)(C)Cc1ccc(C#N)cc1 ZINC001134120688 892356127 /nfs/dbraw/zinc/35/61/27/892356127.db2.gz SNBSPQVAEKBQDF-UHFFFAOYSA-N 1 2 382.414 3.632 20 30 GHEDLO Cc1nn(Cc2ccccc2)c(Cl)c1C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933652500 893118279 /nfs/dbraw/zinc/11/82/79/893118279.db2.gz JYEVDCJKNLJIJC-UHFFFAOYSA-N 1 2 385.895 3.731 20 30 GHEDLO CN(CC[N@H+](C)Cc1ccc(C#N)cc1Br)C(=O)OC(C)(C)C ZINC000778225509 893412485 /nfs/dbraw/zinc/41/24/85/893412485.db2.gz INKAWHZLMFRCRE-UHFFFAOYSA-N 1 2 382.302 3.619 20 30 GHEDLO CN(CC[N@@H+](C)Cc1ccc(C#N)cc1Br)C(=O)OC(C)(C)C ZINC000778225509 893412490 /nfs/dbraw/zinc/41/24/90/893412490.db2.gz INKAWHZLMFRCRE-UHFFFAOYSA-N 1 2 382.302 3.619 20 30 GHEDLO C#CC[C@H](COC)[NH2+]Cc1csc(N(C(C)=O)c2cccc(Cl)c2)n1 ZINC000877661944 893750191 /nfs/dbraw/zinc/75/01/91/893750191.db2.gz KBNOJWNXGUQFOF-OAHLLOKOSA-N 1 2 377.897 3.609 20 30 GHEDLO COc1ccccc1[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CCO1 ZINC000877754638 893791540 /nfs/dbraw/zinc/79/15/40/893791540.db2.gz NUEHPQOWMODAMR-QFIPXVFZSA-N 1 2 388.471 3.541 20 30 GHEDLO COc1ccccc1[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CCO1 ZINC000877754638 893791547 /nfs/dbraw/zinc/79/15/47/893791547.db2.gz NUEHPQOWMODAMR-QFIPXVFZSA-N 1 2 388.471 3.541 20 30 GHEDLO COc1ccc(Nc2cc(I)c3[nH+]ccn3c2)c(C#N)c1 ZINC001212781870 893881442 /nfs/dbraw/zinc/88/14/42/893881442.db2.gz ONKJAPOLOZHIEN-UHFFFAOYSA-N 1 2 390.184 3.563 20 30 GHEDLO C=C(C)COCCNC(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536930551 894106248 /nfs/dbraw/zinc/10/62/48/894106248.db2.gz YDEJRFCHWOEMAW-ZWKOTPCHSA-N 1 2 383.895 3.506 20 30 GHEDLO C=C(C)COCCNC(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536930551 894106262 /nfs/dbraw/zinc/10/62/62/894106262.db2.gz YDEJRFCHWOEMAW-ZWKOTPCHSA-N 1 2 383.895 3.506 20 30 GHEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000537121566 894343251 /nfs/dbraw/zinc/34/32/51/894343251.db2.gz AQGAXMCJLXSTSN-LPHOPBHVSA-N 1 2 389.858 3.614 20 30 GHEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000537121566 894343267 /nfs/dbraw/zinc/34/32/67/894343267.db2.gz AQGAXMCJLXSTSN-LPHOPBHVSA-N 1 2 389.858 3.614 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1[nH]nc3c1cccc3C)CC2 ZINC001137143554 894975928 /nfs/dbraw/zinc/97/59/28/894975928.db2.gz RVOYRMBAVCWWNC-UHFFFAOYSA-N 1 2 391.519 3.739 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1[nH]nc3c1cccc3C)CC2 ZINC001137143554 894975937 /nfs/dbraw/zinc/97/59/37/894975937.db2.gz RVOYRMBAVCWWNC-UHFFFAOYSA-N 1 2 391.519 3.739 20 30 GHEDLO C[N@H+](Cc1cc(Br)cc(Br)c1O)CC(C)(C)C#N ZINC000816632141 895010843 /nfs/dbraw/zinc/01/08/43/895010843.db2.gz VRUGDFFSLRHNAL-UHFFFAOYSA-N 1 2 376.092 3.899 20 30 GHEDLO C[N@@H+](Cc1cc(Br)cc(Br)c1O)CC(C)(C)C#N ZINC000816632141 895010861 /nfs/dbraw/zinc/01/08/61/895010861.db2.gz VRUGDFFSLRHNAL-UHFFFAOYSA-N 1 2 376.092 3.899 20 30 GHEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000566846721 896630664 /nfs/dbraw/zinc/63/06/64/896630664.db2.gz NLAYWGAWIFRPQH-ZDUSSCGKSA-N 1 2 375.450 3.680 20 30 GHEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000566846721 896630674 /nfs/dbraw/zinc/63/06/74/896630674.db2.gz NLAYWGAWIFRPQH-ZDUSSCGKSA-N 1 2 375.450 3.680 20 30 GHEDLO C=C(Cl)CSc1nc(C)c(CC(=O)OCCCc2[nH+]ccn2C)s1 ZINC000820712758 897487895 /nfs/dbraw/zinc/48/78/95/897487895.db2.gz REVRJIZRVPWFLN-UHFFFAOYSA-N 1 2 385.942 3.748 20 30 GHEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 ZINC000132739256 897890432 /nfs/dbraw/zinc/89/04/32/897890432.db2.gz CRTKGOQYHZUEJQ-RMKNXTFCSA-N 1 2 394.374 3.566 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000043278633 898396814 /nfs/dbraw/zinc/39/68/14/898396814.db2.gz ONNQAONYQHYJHQ-UHFFFAOYSA-N 1 2 388.393 3.927 20 30 GHEDLO COc1cc(Cl)c(C)cc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000043349700 898483499 /nfs/dbraw/zinc/48/34/99/898483499.db2.gz DCSAPMVXYAKGJQ-UHFFFAOYSA-N 1 2 398.894 3.878 20 30 GHEDLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000805802471 898647603 /nfs/dbraw/zinc/64/76/03/898647603.db2.gz VPWXVXMCFNTSKS-WFASDCNBSA-N 1 2 381.423 3.647 20 30 GHEDLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000805802471 898647610 /nfs/dbraw/zinc/64/76/10/898647610.db2.gz VPWXVXMCFNTSKS-WFASDCNBSA-N 1 2 381.423 3.647 20 30 GHEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000114811754 899127142 /nfs/dbraw/zinc/12/71/42/899127142.db2.gz UIWSBNSIHBXRHC-KRWDZBQOSA-N 1 2 393.491 3.651 20 30 GHEDLO C[C@@H](c1nnc(Sc2ccnc(C#N)n2)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000570827074 899622397 /nfs/dbraw/zinc/62/23/97/899622397.db2.gz OJXCKRAHJKIABZ-HNNXBMFYSA-N 1 2 391.504 3.627 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000119939834 899707791 /nfs/dbraw/zinc/70/77/91/899707791.db2.gz GXLXBBUZSZNDPU-HOTGVXAUSA-N 1 2 381.505 3.876 20 30 GHEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc(OC)c(OCc3ccccc3)c2)CC1 ZINC000824862400 899843476 /nfs/dbraw/zinc/84/34/76/899843476.db2.gz ZLNHJYBRLFVIQS-UHFFFAOYSA-N 1 2 394.471 3.553 20 30 GHEDLO C=CCSc1nc2ccccc2n1C[N@@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000134835223 900132467 /nfs/dbraw/zinc/13/24/67/900132467.db2.gz PMGHNYIQCXCQNO-AWEZNQCLSA-N 1 2 384.471 3.840 20 30 GHEDLO C=CCSc1nc2ccccc2n1C[N@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000134835223 900132473 /nfs/dbraw/zinc/13/24/73/900132473.db2.gz PMGHNYIQCXCQNO-AWEZNQCLSA-N 1 2 384.471 3.840 20 30 GHEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccc(C(F)(F)F)c(Cl)c3)CC2)c1 ZINC001143809971 900575022 /nfs/dbraw/zinc/57/50/22/900575022.db2.gz JFLCBPCYQKAILH-UHFFFAOYSA-N 1 2 380.801 3.948 20 30 GHEDLO N#CCC[N@H+](CCN1CCOCC1)CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000575141416 901132509 /nfs/dbraw/zinc/13/25/09/901132509.db2.gz WZRVJLWSJBOIQG-UHFFFAOYSA-N 1 2 399.485 3.645 20 30 GHEDLO N#CCC[N@@H+](CCN1CCOCC1)CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000575141416 901132513 /nfs/dbraw/zinc/13/25/13/901132513.db2.gz WZRVJLWSJBOIQG-UHFFFAOYSA-N 1 2 399.485 3.645 20 30 GHEDLO NC(=O)c1ccc(C(=[NH2+])Nc2ccc(OCc3ccccc3)c(F)c2F)cc1 ZINC001171255990 903296414 /nfs/dbraw/zinc/29/64/14/903296414.db2.gz CHHDVDFNBWEVAJ-UHFFFAOYSA-N 1 2 381.382 3.680 20 30 GHEDLO CCCCCCC[C@H](CC)[NH2+][C@@H](Cc1cccc(S(C)(=O)=O)c1)C(=O)OC ZINC001172351876 905519230 /nfs/dbraw/zinc/51/92/30/905519230.db2.gz XNWUICPSOPKUII-ICSRJNTNSA-N 1 2 397.581 3.903 20 30 GHEDLO C=CCOC1CCC([NH2+][C@@H](Cc2ccccc2Br)C(=O)OC)CC1 ZINC001173319813 906389041 /nfs/dbraw/zinc/38/90/41/906389041.db2.gz XAEZNBMERXFEHR-HTWSVDAQSA-N 1 2 396.325 3.637 20 30 GHEDLO CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3ccc(C#N)c(F)c3)c[nH+]2)CC1 ZINC001174454900 907062840 /nfs/dbraw/zinc/06/28/40/907062840.db2.gz YNYTWCBWKKPBCC-UHFFFAOYSA-N 1 2 397.454 3.893 20 30 GHEDLO Cc1nc(N2CCN(C(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)cc[nH+]1 ZINC000184011956 907499713 /nfs/dbraw/zinc/49/97/13/907499713.db2.gz OUQRZZPPUZZOFE-OAHLLOKOSA-N 1 2 396.520 3.533 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC=C(c3ccc(Cl)nc3)CC2)cc1Cl ZINC000773654047 908552217 /nfs/dbraw/zinc/55/22/17/908552217.db2.gz BCWLZLIZMULDDF-UHFFFAOYSA-N 1 2 387.270 3.988 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC=C(c3ccc(Cl)nc3)CC2)cc1Cl ZINC000773654047 908552232 /nfs/dbraw/zinc/55/22/32/908552232.db2.gz BCWLZLIZMULDDF-UHFFFAOYSA-N 1 2 387.270 3.988 20 30 GHEDLO Cc1nc(CO[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)nc2ccccc12 ZINC000193594377 908553987 /nfs/dbraw/zinc/55/39/87/908553987.db2.gz NVXBPVUWGCMJQY-UHFFFAOYSA-N 1 2 399.454 3.749 20 30 GHEDLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000635578669 909294085 /nfs/dbraw/zinc/29/40/85/909294085.db2.gz XWXAEVVANGPJCP-MRVPVSSYSA-N 1 2 397.241 3.720 20 30 GHEDLO C[C@@H](c1cccc(NC(=O)N(CCC#N)Cc2ccco2)c1)[NH+]1CCOCC1 ZINC000269089238 910133773 /nfs/dbraw/zinc/13/37/73/910133773.db2.gz BNHWYZQOYUUYEU-KRWDZBQOSA-N 1 2 382.464 3.621 20 30 GHEDLO C[C@H](c1cccc(NC(=O)N(CCC#N)Cc2ccco2)c1)[NH+]1CCOCC1 ZINC000269089239 910134293 /nfs/dbraw/zinc/13/42/93/910134293.db2.gz BNHWYZQOYUUYEU-QGZVFWFLSA-N 1 2 382.464 3.621 20 30 GHEDLO CCCCCCC[C@H](C)C(=O)N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001181124112 910558221 /nfs/dbraw/zinc/55/82/21/910558221.db2.gz ZMVGDMCWDRIZST-SFHVURJKSA-N 1 2 377.577 3.847 20 30 GHEDLO CCCCCCC[C@H](C)C(=O)N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001181124112 910558231 /nfs/dbraw/zinc/55/82/31/910558231.db2.gz ZMVGDMCWDRIZST-SFHVURJKSA-N 1 2 377.577 3.847 20 30 GHEDLO CCCCO[C@H]1C[C@@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])C1(C)C ZINC000247383112 911220470 /nfs/dbraw/zinc/22/04/70/911220470.db2.gz UQBJNTUMSYQKII-MOPGFXCFSA-N 1 2 396.535 3.630 20 30 GHEDLO C[N@H+](Cc1ccccc1)[C@H](C(=O)N/C=C/C(=O)C(F)(F)F)c1ccccc1 ZINC001182244706 911327303 /nfs/dbraw/zinc/32/73/03/911327303.db2.gz NLLGVEGWAODKHP-HHNLSAEISA-N 1 2 376.378 3.621 20 30 GHEDLO C[N@@H+](Cc1ccccc1)[C@H](C(=O)N/C=C/C(=O)C(F)(F)F)c1ccccc1 ZINC001182244706 911327325 /nfs/dbraw/zinc/32/73/25/911327325.db2.gz NLLGVEGWAODKHP-HHNLSAEISA-N 1 2 376.378 3.621 20 30 GHEDLO C[C@@H](C#N)Oc1ccc(C[NH+]2CCN(C(=O)Cc3ccccc3Cl)CC2)cc1 ZINC000092534062 911601855 /nfs/dbraw/zinc/60/18/55/911601855.db2.gz LOCCDDULJDJUKC-KRWDZBQOSA-N 1 2 397.906 3.518 20 30 GHEDLO C[NH+](C)[C@H](CNC(=O)COc1ccc(C#N)cc1)c1ccc(Cl)cc1Cl ZINC001182920646 912104093 /nfs/dbraw/zinc/10/40/93/912104093.db2.gz ULOUMEWLOLJACH-GOSISDBHSA-N 1 2 392.286 3.663 20 30 GHEDLO C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001275698347 916110410 /nfs/dbraw/zinc/11/04/10/916110410.db2.gz GVSBTQGZCPTMSQ-GOSISDBHSA-N 1 2 376.416 3.698 20 30 GHEDLO CCn1cc(C[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C(C)C)cn1 ZINC000649812204 916439682 /nfs/dbraw/zinc/43/96/82/916439682.db2.gz MKHADMJSLOAPSW-UHFFFAOYSA-N 1 2 377.492 3.865 20 30 GHEDLO CCn1cc(C[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C(C)C)cn1 ZINC000649812204 916439694 /nfs/dbraw/zinc/43/96/94/916439694.db2.gz MKHADMJSLOAPSW-UHFFFAOYSA-N 1 2 377.492 3.865 20 30 GHEDLO N#Cc1cccc(Cl)c1SCC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC001190010913 917031873 /nfs/dbraw/zinc/03/18/73/917031873.db2.gz NUFYMUXPNRTHEX-UHFFFAOYSA-N 1 2 392.937 3.995 20 30 GHEDLO C#C[C@H]([NH2+]Cc1csc(-c2cccc(Br)c2)n1)[C@H]1CCCO1 ZINC000775341114 917076415 /nfs/dbraw/zinc/07/64/15/917076415.db2.gz JYJGOUQGNVDDEH-JKSUJKDBSA-N 1 2 377.307 3.843 20 30 GHEDLO C=CC[C@@H](NC(=O)c1ccc(C[NH+]2CCN(CC)CC2)cc1)c1ccccc1 ZINC001190871045 917618679 /nfs/dbraw/zinc/61/86/79/917618679.db2.gz SVOMYWIWDPPPEN-HSZRJFAPSA-N 1 2 377.532 3.871 20 30 GHEDLO COc1ccc(C(N)=[NH+]O[C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)cc1 ZINC000113249155 919365177 /nfs/dbraw/zinc/36/51/77/919365177.db2.gz PASPDCIVYHUOLR-CYBMUJFWSA-N 1 2 375.856 3.630 20 30 GHEDLO COc1cc([C@@H](C)[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)ccc1OC1CCCC1 ZINC000115597167 919456804 /nfs/dbraw/zinc/45/68/04/919456804.db2.gz KEIMCRQREYIYTE-QRQCRPRQSA-N 1 2 393.487 3.765 20 30 GHEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(F)cc1Br ZINC001275959709 920254005 /nfs/dbraw/zinc/25/40/05/920254005.db2.gz ZQBVVJJXRKJUJM-SFHVURJKSA-N 1 2 381.289 3.731 20 30 GHEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(F)cc1Br ZINC001275959709 920254014 /nfs/dbraw/zinc/25/40/14/920254014.db2.gz ZQBVVJJXRKJUJM-SFHVURJKSA-N 1 2 381.289 3.731 20 30 GHEDLO N#CCOc1cc(F)ccc1NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000800547484 920264428 /nfs/dbraw/zinc/26/44/28/920264428.db2.gz OIZMACCCGDEQGW-HNNXBMFYSA-N 1 2 397.454 3.672 20 30 GHEDLO CN(C)c1nc(C[NH2+]Cc2ccc(OCC#N)cc2)c(Cl)n1-c1ccccc1 ZINC000802643745 922289071 /nfs/dbraw/zinc/28/90/71/922289071.db2.gz PAYILPOTMMTIAL-UHFFFAOYSA-N 1 2 395.894 3.784 20 30 GHEDLO Cc1cccc2[nH+]cc(/C=C\C(=O)c3ccc(S(=O)(=O)C(F)F)cc3)n21 ZINC000749006472 923972493 /nfs/dbraw/zinc/97/24/93/923972493.db2.gz WLPKKYLWLFBEND-YFHOEESVSA-N 1 2 376.384 3.535 20 30 GHEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC001276081339 925342920 /nfs/dbraw/zinc/34/29/20/925342920.db2.gz IHMCYKLZODQSAF-GOSISDBHSA-N 1 2 384.829 3.949 20 30 GHEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC001276081339 925342929 /nfs/dbraw/zinc/34/29/29/925342929.db2.gz IHMCYKLZODQSAF-GOSISDBHSA-N 1 2 384.829 3.949 20 30 GHEDLO CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Br)ccc1C#N ZINC001276120945 925735304 /nfs/dbraw/zinc/73/53/04/925735304.db2.gz FDSKQHLLFRHOOR-FSPWUOQZSA-N 1 2 390.325 3.685 20 30 GHEDLO CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(Br)ccc1C#N ZINC001276120945 925735311 /nfs/dbraw/zinc/73/53/11/925735311.db2.gz FDSKQHLLFRHOOR-FSPWUOQZSA-N 1 2 390.325 3.685 20 30 GHEDLO C=CC[N@H+](Cc1cccc(C#N)c1)[C@@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C ZINC000411192734 926186067 /nfs/dbraw/zinc/18/60/67/926186067.db2.gz MJGWDMPLODBEHQ-KRWDZBQOSA-N 1 2 391.471 3.669 20 30 GHEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C ZINC000411192734 926186087 /nfs/dbraw/zinc/18/60/87/926186087.db2.gz MJGWDMPLODBEHQ-KRWDZBQOSA-N 1 2 391.471 3.669 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)c(OC(F)F)c1 ZINC000411978601 926969246 /nfs/dbraw/zinc/96/92/46/926969246.db2.gz HFUQKQGVMVTRTD-OAQYLSRUSA-N 1 2 384.382 3.770 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)c(OC(F)F)c1 ZINC000411978601 926969252 /nfs/dbraw/zinc/96/92/52/926969252.db2.gz HFUQKQGVMVTRTD-OAQYLSRUSA-N 1 2 384.382 3.770 20 30 GHEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000374360163 927051451 /nfs/dbraw/zinc/05/14/51/927051451.db2.gz MWDCQGSVHACJQC-FQEVSTJZSA-N 1 2 386.455 3.500 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1=S ZINC000749799918 927278938 /nfs/dbraw/zinc/27/89/38/927278938.db2.gz PNJMOKLMROVLKG-IAGOWNOFSA-N 1 2 388.512 3.722 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1=S ZINC000749799918 927278957 /nfs/dbraw/zinc/27/89/57/927278957.db2.gz PNJMOKLMROVLKG-IAGOWNOFSA-N 1 2 388.512 3.722 20 30 GHEDLO Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCC[N@@H+]1CCCSCC#N ZINC000374803207 927539350 /nfs/dbraw/zinc/53/93/50/927539350.db2.gz UCGAZRMPXRJTJB-IBGZPJMESA-N 1 2 388.512 3.648 20 30 GHEDLO Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCC[N@H+]1CCCSCC#N ZINC000374803207 927539354 /nfs/dbraw/zinc/53/93/54/927539354.db2.gz UCGAZRMPXRJTJB-IBGZPJMESA-N 1 2 388.512 3.648 20 30 GHEDLO Cn1cc(C#N)cc1C(=O)O[C@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000751214462 928075119 /nfs/dbraw/zinc/07/51/19/928075119.db2.gz PIIARJBMEAIFKT-QGZVFWFLSA-N 1 2 389.242 3.998 20 30 GHEDLO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1=O ZINC000467516709 929148473 /nfs/dbraw/zinc/14/84/73/929148473.db2.gz OJSDHRSRPZQLOT-SFHVURJKSA-N 1 2 399.422 3.745 20 30 GHEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1=O ZINC000467516709 929148502 /nfs/dbraw/zinc/14/85/02/929148502.db2.gz OJSDHRSRPZQLOT-SFHVURJKSA-N 1 2 399.422 3.745 20 30 GHEDLO COc1ccccc1C1N=NC(=S)N1N=C1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000757561002 929730615 /nfs/dbraw/zinc/73/06/15/929730615.db2.gz RQUKRYZZIURKER-HNNXBMFYSA-N 1 2 393.516 3.741 20 30 GHEDLO COc1ccccc1C1N=NC(=S)N1N=C1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000757561002 929730623 /nfs/dbraw/zinc/73/06/23/929730623.db2.gz RQUKRYZZIURKER-HNNXBMFYSA-N 1 2 393.516 3.741 20 30 GHEDLO C#CC[C@@H](NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)c1ccccc1 ZINC000757884377 929838312 /nfs/dbraw/zinc/83/83/12/929838312.db2.gz ZCFVISQIPZAXIB-XMSQKQJNSA-N 1 2 377.488 3.966 20 30 GHEDLO C#CC[N@@H+](CC(=O)N(C)Cc1cc(Br)cs1)Cc1ccccc1 ZINC000796639985 930488611 /nfs/dbraw/zinc/48/86/11/930488611.db2.gz RRXBAONNPKEVMJ-UHFFFAOYSA-N 1 2 391.334 3.604 20 30 GHEDLO C#CC[N@H+](CC(=O)N(C)Cc1cc(Br)cs1)Cc1ccccc1 ZINC000796639985 930488615 /nfs/dbraw/zinc/48/86/15/930488615.db2.gz RRXBAONNPKEVMJ-UHFFFAOYSA-N 1 2 391.334 3.604 20 30 GHEDLO CC[C@H]([NH2+]C1CCN(C(=O)c2ccccc2F)CC1)c1cccc(C#N)c1O ZINC000924664172 931467164 /nfs/dbraw/zinc/46/71/64/931467164.db2.gz OSKNIVDSHZQTIW-FQEVSTJZSA-N 1 2 381.451 3.748 20 30 GHEDLO Cc1cc(Br)cn2c(CN=Nc3oc(C(C)C)nc3C#N)c[nH+]c12 ZINC000783837162 931683379 /nfs/dbraw/zinc/68/33/79/931683379.db2.gz ILGQMVITDUEIQQ-UHFFFAOYSA-N 1 2 387.241 3.834 20 30 GHEDLO COc1cc(C(N)=[NH+]OCc2ccc(C#N)cc2Cl)ccc1OC(F)F ZINC000783984345 931741528 /nfs/dbraw/zinc/74/15/28/931741528.db2.gz LFIMMNABDAVIMI-UHFFFAOYSA-N 1 2 381.766 3.868 20 30 GHEDLO C#CC[C@@H]([NH2+][C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21)c1ccccc1 ZINC000925635895 931844825 /nfs/dbraw/zinc/84/48/25/931844825.db2.gz UVEDBPHZIRPDAF-MOPGFXCFSA-N 1 2 392.503 3.628 20 30 GHEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H]([NH2+]Cc2cc(Cl)cc3cccnc32)C1 ZINC000798274812 932587555 /nfs/dbraw/zinc/58/75/55/932587555.db2.gz KUVQITHTHANJTO-WBVHZDCISA-N 1 2 386.883 3.737 20 30 GHEDLO Nc1ccc(CNC(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)c[nH+]1 ZINC000927777787 932692113 /nfs/dbraw/zinc/69/21/13/932692113.db2.gz NRBLHNKECFNDEF-UHFFFAOYSA-N 1 2 395.278 3.883 20 30 GHEDLO Cc1n[nH]cc1C1CC[NH+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000560184976 933118099 /nfs/dbraw/zinc/11/80/99/933118099.db2.gz UZCZFIKQBSBUFD-UHFFFAOYSA-N 1 2 397.548 3.738 20 30 GHEDLO Cc1ccc(CC2CC[NH+](CCS(=O)(=O)c3cccc(C#N)c3)CC2)cc1 ZINC001116540631 933621460 /nfs/dbraw/zinc/62/14/60/933621460.db2.gz OLOBFZYCFIJZRS-UHFFFAOYSA-N 1 2 382.529 3.595 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@@]2(C1)CCCOC2 ZINC001121581637 934704725 /nfs/dbraw/zinc/70/47/25/934704725.db2.gz PDLHHMYVNWMRAV-WMZHIEFXSA-N 1 2 395.551 3.664 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@@]2(C1)CCCOC2 ZINC001121581637 934704730 /nfs/dbraw/zinc/70/47/30/934704730.db2.gz PDLHHMYVNWMRAV-WMZHIEFXSA-N 1 2 395.551 3.664 20 30 GHEDLO C=C[C@](C)(O)CC(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000562175631 934745070 /nfs/dbraw/zinc/74/50/70/934745070.db2.gz GZHWIGORGUPOOD-PKTZIBPZSA-N 1 2 398.934 3.901 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@H](c2nc(C)cs2)C1 ZINC001122536746 934892847 /nfs/dbraw/zinc/89/28/47/934892847.db2.gz LSSWHECKSRAXPS-IRXDYDNUSA-N 1 2 386.569 3.770 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@H](c2nc(C)cs2)C1 ZINC001122536746 934892850 /nfs/dbraw/zinc/89/28/50/934892850.db2.gz LSSWHECKSRAXPS-IRXDYDNUSA-N 1 2 386.569 3.770 20 30 GHEDLO CC[C@@H]1CCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2Cc2cccs2)C1 ZINC001123006457 935053739 /nfs/dbraw/zinc/05/37/39/935053739.db2.gz KPUYCUQTTWUCEL-QGZVFWFLSA-N 1 2 398.580 3.717 20 30 GHEDLO CC(C)[N@@H+]1CCC[C@H]1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC001124231259 935360781 /nfs/dbraw/zinc/36/07/81/935360781.db2.gz UEVPHIINXQRPCW-HNNXBMFYSA-N 1 2 387.534 3.513 20 30 GHEDLO CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC001124231259 935360791 /nfs/dbraw/zinc/36/07/91/935360791.db2.gz UEVPHIINXQRPCW-HNNXBMFYSA-N 1 2 387.534 3.513 20 30 GHEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc([C@@H](C)C(F)(F)F)cc2)n1 ZINC000829322502 935795459 /nfs/dbraw/zinc/79/54/59/935795459.db2.gz UEIHSLWFIWIOLL-MRXNPFEDSA-N 1 2 379.426 3.831 20 30 GHEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc([C@@H](C)C(F)(F)F)cc2)n1 ZINC000829322502 935795463 /nfs/dbraw/zinc/79/54/63/935795463.db2.gz UEIHSLWFIWIOLL-MRXNPFEDSA-N 1 2 379.426 3.831 20 30 GHEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Cl)ncc1C(F)(F)F ZINC001277239267 1032597470 /nfs/dbraw/zinc/59/74/70/1032597470.db2.gz MMDKDABWRWIMCU-HUUCEWRRSA-N 1 2 387.833 3.895 20 30 GHEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(Cl)ncc1C(F)(F)F ZINC001277239267 1032597476 /nfs/dbraw/zinc/59/74/76/1032597476.db2.gz MMDKDABWRWIMCU-HUUCEWRRSA-N 1 2 387.833 3.895 20 30 GHEDLO Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC001204144462 1032600593 /nfs/dbraw/zinc/60/05/93/1032600593.db2.gz HVPLFRHXAAQKBF-HSZRJFAPSA-N 1 2 389.478 3.702 20 30 GHEDLO C=CCOc1ccccc1CNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001227881427 1032666871 /nfs/dbraw/zinc/66/68/71/1032666871.db2.gz XSOOQXVEKVDBIQ-KRWDZBQOSA-N 1 2 376.460 3.998 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(CCC#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000932567244 1018467966 /nfs/dbraw/zinc/46/79/66/1018467966.db2.gz SIBVTADEVBFBJA-UXHICEINSA-N 1 2 384.430 3.988 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(CCC#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000932567244 1018467974 /nfs/dbraw/zinc/46/79/74/1018467974.db2.gz SIBVTADEVBFBJA-UXHICEINSA-N 1 2 384.430 3.988 20 30 GHEDLO N#CC[C@H](NC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)C(F)(F)F ZINC000932903418 1018743819 /nfs/dbraw/zinc/74/38/19/1018743819.db2.gz KMZKHPYSFNIHEV-HNNXBMFYSA-N 1 2 399.804 3.593 20 30 GHEDLO C=CC[N@@H+](Cc1c(C)nn(-c2ccccn2)c1C)Cc1cccc([N+](=O)[O-])c1 ZINC000564230814 1019035928 /nfs/dbraw/zinc/03/59/28/1019035928.db2.gz MIBODIATPCRENZ-UHFFFAOYSA-N 1 2 377.448 3.981 20 30 GHEDLO C=CC[N@H+](Cc1c(C)nn(-c2ccccn2)c1C)Cc1cccc([N+](=O)[O-])c1 ZINC000564230814 1019035945 /nfs/dbraw/zinc/03/59/45/1019035945.db2.gz MIBODIATPCRENZ-UHFFFAOYSA-N 1 2 377.448 3.981 20 30 GHEDLO N#CC[C@H](Cc1nc(-c2ccccc2C[NH+]2CCOCC2)no1)c1ccccc1 ZINC000569885579 1019529771 /nfs/dbraw/zinc/52/97/71/1019529771.db2.gz KIBFQNAOPYFKOB-LJQANCHMSA-N 1 2 388.471 3.809 20 30 GHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccc(Cl)nn2)c(Cl)c1 ZINC001156102536 1032877961 /nfs/dbraw/zinc/87/79/61/1032877961.db2.gz SMBNMLONEHCIMA-AWEZNQCLSA-N 1 2 391.258 3.612 20 30 GHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccc(Cl)nn2)c(Cl)c1 ZINC001156102536 1032877978 /nfs/dbraw/zinc/87/79/78/1032877978.db2.gz SMBNMLONEHCIMA-AWEZNQCLSA-N 1 2 391.258 3.612 20 30 GHEDLO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1cc(Br)cc(Br)c1O ZINC000834887511 1021619641 /nfs/dbraw/zinc/61/96/41/1021619641.db2.gz HFTNOALLWVLQNO-CKLFPEKLSA-N 1 2 391.103 3.911 20 30 GHEDLO COc1ccc(OC)c(C[NH+]2CCN(Cc3cc(C#N)ccc3Cl)CC2)c1 ZINC001140601369 1022047683 /nfs/dbraw/zinc/04/76/83/1022047683.db2.gz PBQXQKJAYYRVIB-UHFFFAOYSA-N 1 2 385.895 3.547 20 30 GHEDLO CCN(Cc1cc(C#N)ccc1Cl)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001140603530 1022051615 /nfs/dbraw/zinc/05/16/15/1022051615.db2.gz RQSWHFAUYOMDHS-OAQYLSRUSA-N 1 2 383.923 3.935 20 30 GHEDLO CCN(Cc1cc(C#N)ccc1Cl)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001140603530 1022051635 /nfs/dbraw/zinc/05/16/35/1022051635.db2.gz RQSWHFAUYOMDHS-OAQYLSRUSA-N 1 2 383.923 3.935 20 30 GHEDLO COc1cc(-c2nc3ccccc3s2)ccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001228684472 1033042961 /nfs/dbraw/zinc/04/29/61/1033042961.db2.gz DFTGKNWLCUQIQE-SINQJGMGSA-N 1 2 394.496 3.963 20 30 GHEDLO COc1cc(-c2nc3ccccc3s2)ccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001228684472 1033042978 /nfs/dbraw/zinc/04/29/78/1033042978.db2.gz DFTGKNWLCUQIQE-SINQJGMGSA-N 1 2 394.496 3.963 20 30 GHEDLO COc1ccc(C[NH+]2CCN(c3cccc(C#N)c3)CC2)c(Br)c1 ZINC001140760763 1022461680 /nfs/dbraw/zinc/46/16/80/1022461680.db2.gz SEDKVNSCVMOBFJ-UHFFFAOYSA-N 1 2 386.293 3.652 20 30 GHEDLO Cc1cnc([C@H]([NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C2CC2)s1 ZINC000754416387 1022692030 /nfs/dbraw/zinc/69/20/30/1022692030.db2.gz BSPKESGUDSBOAC-DNVCBOLYSA-N 1 2 389.484 3.730 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000754991487 1023002975 /nfs/dbraw/zinc/00/29/75/1023002975.db2.gz QZPFIPVBGWAHNJ-OAHLLOKOSA-N 1 2 394.313 3.810 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000754991487 1023002986 /nfs/dbraw/zinc/00/29/86/1023002986.db2.gz QZPFIPVBGWAHNJ-OAHLLOKOSA-N 1 2 394.313 3.810 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](Cc3c[nH]nc3C(F)(F)F)CC2)cc1Cl ZINC001141017100 1023214860 /nfs/dbraw/zinc/21/48/60/1023214860.db2.gz ZQXYBOXWMGUIKL-UHFFFAOYSA-N 1 2 384.789 3.997 20 30 GHEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1cccc(C)c1Br)CC2 ZINC001141089713 1023465928 /nfs/dbraw/zinc/46/59/28/1023465928.db2.gz FAPRDDCQYIKOHA-UHFFFAOYSA-N 1 2 390.325 3.752 20 30 GHEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1cccc(C)c1Br)CC2 ZINC001141089713 1023465936 /nfs/dbraw/zinc/46/59/36/1023465936.db2.gz FAPRDDCQYIKOHA-UHFFFAOYSA-N 1 2 390.325 3.752 20 30 GHEDLO COc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC000831193533 1024414462 /nfs/dbraw/zinc/41/44/62/1024414462.db2.gz MTDSOEBYJCUNPD-HKUYNNGSSA-N 1 2 387.842 3.535 20 30 GHEDLO COc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC000831193533 1024414469 /nfs/dbraw/zinc/41/44/69/1024414469.db2.gz MTDSOEBYJCUNPD-HKUYNNGSSA-N 1 2 387.842 3.535 20 30 GHEDLO C#C[C@@H](NC(=O)N(CCCn1cc[nH+]c1)Cc1ccc(OCC)cc1)C(C)C ZINC000838596552 1025226205 /nfs/dbraw/zinc/22/62/05/1025226205.db2.gz RXNAWKOIIHUULR-OAQYLSRUSA-N 1 2 382.508 3.542 20 30 GHEDLO CC(C)(C)OC(=O)N1CCc2nc(C[NH2+]Cc3ccc(C#N)s3)sc2C1 ZINC001202876313 1025559524 /nfs/dbraw/zinc/55/95/24/1025559524.db2.gz VKEWOACYUPDJPK-UHFFFAOYSA-N 1 2 390.534 3.659 20 30 GHEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1cc3c(c(Cl)c1)OCO3)CCO2 ZINC001139074962 1025880486 /nfs/dbraw/zinc/88/04/86/1025880486.db2.gz PJQOOTLGLZRXRR-OXJNMPFZSA-N 1 2 379.884 3.642 20 30 GHEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1cc3c(c(Cl)c1)OCO3)CCO2 ZINC001139074962 1025880512 /nfs/dbraw/zinc/88/05/12/1025880512.db2.gz PJQOOTLGLZRXRR-OXJNMPFZSA-N 1 2 379.884 3.642 20 30 GHEDLO N#Cc1c(Cl)cccc1C[N@@H+]1CCC[C@@]2(C[C@H](OCc3ccncc3)CO2)C1 ZINC001139688313 1026539692 /nfs/dbraw/zinc/53/96/92/1026539692.db2.gz GPUXGHNPXANKET-SIKLNZKXSA-N 1 2 397.906 3.947 20 30 GHEDLO N#Cc1c(Cl)cccc1C[N@H+]1CCC[C@@]2(C[C@H](OCc3ccncc3)CO2)C1 ZINC001139688313 1026539699 /nfs/dbraw/zinc/53/96/99/1026539699.db2.gz GPUXGHNPXANKET-SIKLNZKXSA-N 1 2 397.906 3.947 20 30 GHEDLO Cc1ccc(C[N@H+]2Cc3c(cnn3CC3CC3)[C@@H](COCC3CC3)C2)cc1C#N ZINC001139725059 1026568604 /nfs/dbraw/zinc/56/86/04/1026568604.db2.gz AVPPXRSGKMCTFO-JOCHJYFZSA-N 1 2 390.531 3.999 20 30 GHEDLO Cc1ccc(C[N@@H+]2Cc3c(cnn3CC3CC3)[C@@H](COCC3CC3)C2)cc1C#N ZINC001139725059 1026568607 /nfs/dbraw/zinc/56/86/07/1026568607.db2.gz AVPPXRSGKMCTFO-JOCHJYFZSA-N 1 2 390.531 3.999 20 30 GHEDLO CCOC[C@@H]1C[N@H+](Cc2c[nH]c3ccc(C#N)cc23)Cc2ncn(CC3CC3)c21 ZINC001140111654 1026892422 /nfs/dbraw/zinc/89/24/22/1026892422.db2.gz BPGXSAAXKHSMGA-IBGZPJMESA-N 1 2 389.503 3.782 20 30 GHEDLO CCOC[C@@H]1C[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)Cc2ncn(CC3CC3)c21 ZINC001140111654 1026892425 /nfs/dbraw/zinc/89/24/25/1026892425.db2.gz BPGXSAAXKHSMGA-IBGZPJMESA-N 1 2 389.503 3.782 20 30 GHEDLO CCOC(=O)[C@@]1(C)CCCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC001141807602 1027336992 /nfs/dbraw/zinc/33/69/92/1027336992.db2.gz ROLCERZIJCGMPL-SFHVURJKSA-N 1 2 379.298 3.876 20 30 GHEDLO CCOC(=O)[C@@]1(C)CCCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC001141807602 1027337009 /nfs/dbraw/zinc/33/70/09/1027337009.db2.gz ROLCERZIJCGMPL-SFHVURJKSA-N 1 2 379.298 3.876 20 30 GHEDLO C=CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@]2(CC)c1cccc(Nc2c[nH+]c(C)cc2C)c1 ZINC001213521124 1028239494 /nfs/dbraw/zinc/23/94/94/1028239494.db2.gz VACKJLRSRAWGSQ-JHDGKUDLSA-N 1 2 375.472 3.891 20 30 GHEDLO CC(C)(C)OC(=O)N1CC2(C1)CC[NH+](Cc1c(F)ccc(C#N)c1F)CC2 ZINC001143164457 1029877312 /nfs/dbraw/zinc/87/73/12/1029877312.db2.gz INLWIDUAEJJLQB-UHFFFAOYSA-N 1 2 377.435 3.669 20 30 GHEDLO N#Cc1ccc(F)c(C[NH+]2CCC3(CCCN3C(=O)c3ccco3)CC2)c1F ZINC001143167809 1029878739 /nfs/dbraw/zinc/87/87/39/1029878739.db2.gz ZPVIHRHCLPQWJP-UHFFFAOYSA-N 1 2 385.414 3.700 20 30 GHEDLO Cc1cccc(N2C[C@]3(CC[N@H+](Cc4c(F)ccc(C#N)c4F)C3)CC2=O)c1 ZINC001143169500 1029880258 /nfs/dbraw/zinc/88/02/58/1029880258.db2.gz HMYOXKMTYBEJEI-JOCHJYFZSA-N 1 2 381.426 3.774 20 30 GHEDLO Cc1cccc(N2C[C@]3(CC[N@@H+](Cc4c(F)ccc(C#N)c4F)C3)CC2=O)c1 ZINC001143169500 1029880265 /nfs/dbraw/zinc/88/02/65/1029880265.db2.gz HMYOXKMTYBEJEI-JOCHJYFZSA-N 1 2 381.426 3.774 20 30 GHEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(F)cc(OC(F)(F)F)c2)C1 ZINC001143266708 1029962340 /nfs/dbraw/zinc/96/23/40/1029962340.db2.gz KHARFBUBXITOEC-CQSZACIVSA-N 1 2 376.350 3.601 20 30 GHEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc(F)cc(OC(F)(F)F)c2)C1 ZINC001143266708 1029962343 /nfs/dbraw/zinc/96/23/43/1029962343.db2.gz KHARFBUBXITOEC-CQSZACIVSA-N 1 2 376.350 3.601 20 30 GHEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(Cl)ccc1OC(F)F ZINC001276827381 1029965021 /nfs/dbraw/zinc/96/50/21/1029965021.db2.gz GIEJPGZVGQPTCM-IBGZPJMESA-N 1 2 382.838 3.532 20 30 GHEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Cl)ccc1OC(F)F ZINC001276827381 1029965024 /nfs/dbraw/zinc/96/50/24/1029965024.db2.gz GIEJPGZVGQPTCM-IBGZPJMESA-N 1 2 382.838 3.532 20 30 GHEDLO C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1c(F)cc(F)cc1Br)CC2 ZINC001276844826 1030329708 /nfs/dbraw/zinc/32/97/08/1030329708.db2.gz RRWLXPWRQJEMMO-AWEZNQCLSA-N 1 2 399.279 3.632 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC[N@H+](Cc3c(Cl)cc(C)cc3Cl)C2)OCC1=O ZINC001276907479 1030675434 /nfs/dbraw/zinc/67/54/34/1030675434.db2.gz INLIOHFKHBKOFU-IBGZPJMESA-N 1 2 383.319 3.681 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC[N@@H+](Cc3c(Cl)cc(C)cc3Cl)C2)OCC1=O ZINC001276907479 1030675446 /nfs/dbraw/zinc/67/54/46/1030675446.db2.gz INLIOHFKHBKOFU-IBGZPJMESA-N 1 2 383.319 3.681 20 30 GHEDLO O/N=C(\O[C@H]1CCN2Cc3ccccc3[NH+]=C12)c1ccccc1Br ZINC001223885203 1030787392 /nfs/dbraw/zinc/78/73/92/1030787392.db2.gz AGWBLCNJWMTANS-XMMQZVGTSA-N 1 2 386.249 3.920 20 30 GHEDLO COc1cc(OC)c(C(=O)/C=C/c2ccccc2)c(O[C@@H]2C[NH2+]CC2(F)F)c1 ZINC001218237610 1030843710 /nfs/dbraw/zinc/84/37/10/1030843710.db2.gz PNZYMPKCABWYJV-CSHXORCISA-N 1 2 389.398 3.586 20 30 GHEDLO COc1ccc(/C=C/C(=O)c2cccc(O[C@H]3C[NH2+]CC3(F)F)c2)cc1OC ZINC001218235527 1030844703 /nfs/dbraw/zinc/84/47/03/1030844703.db2.gz LHNRNPZWMOMBEQ-IEJURRBGSA-N 1 2 389.398 3.586 20 30 GHEDLO COc1cc(OC)c(C(=O)/C=C/c2ccccc2)c(O[C@H]2C[NH2+]CC2(F)F)c1 ZINC001218237612 1030844977 /nfs/dbraw/zinc/84/49/77/1030844977.db2.gz PNZYMPKCABWYJV-SGQUHAKNSA-N 1 2 389.398 3.586 20 30 GHEDLO Cc1cc(O)cc(O[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1Br ZINC001225386509 1031375204 /nfs/dbraw/zinc/37/52/04/1031375204.db2.gz YMNHGERELJJYIR-KRWDZBQOSA-N 1 2 387.277 3.988 20 30 GHEDLO Cc1cc(O)cc(O[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c1Br ZINC001225386509 1031375210 /nfs/dbraw/zinc/37/52/10/1031375210.db2.gz YMNHGERELJJYIR-KRWDZBQOSA-N 1 2 387.277 3.988 20 30 GHEDLO C[C@H](C(=O)Nc1ccc(O[C@H]2CC[NH2+]CC2(F)F)cc1)c1ccc(C#N)cc1 ZINC001219456211 1031428352 /nfs/dbraw/zinc/42/83/52/1031428352.db2.gz KEUQSCCDDYTLES-LIRRHRJNSA-N 1 2 385.414 3.676 20 30 GHEDLO C=CCn1cc2ccc(NC(=O)N3CC[NH+](Cc4cccs4)CC3)cc2n1 ZINC001220157624 1031807084 /nfs/dbraw/zinc/80/70/84/1031807084.db2.gz PUOSGJDDPPKXLX-UHFFFAOYSA-N 1 2 381.505 3.634 20 30 GHEDLO Cc1nc(OC[C@@H]2COc3ccccc3O2)c(C#N)cc1-c1ccc2[nH+]ccn2c1 ZINC001229765244 1033696533 /nfs/dbraw/zinc/69/65/33/1033696533.db2.gz CMQGBELPJCOVIG-SFHVURJKSA-N 1 2 398.422 3.795 20 30 GHEDLO COc1cc(/C=C/c2ccc(O)cc2)cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c1 ZINC001229937616 1033800975 /nfs/dbraw/zinc/80/09/75/1033800975.db2.gz OONAJUFLLCRVND-PHAJHLCRSA-N 1 2 379.456 3.562 20 30 GHEDLO COc1cc(/C=C/c2ccc(O)cc2)cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c1 ZINC001229937616 1033800987 /nfs/dbraw/zinc/80/09/87/1033800987.db2.gz OONAJUFLLCRVND-PHAJHLCRSA-N 1 2 379.456 3.562 20 30 GHEDLO CC(C)CC1(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCC1 ZINC001230148964 1033919847 /nfs/dbraw/zinc/91/98/47/1033919847.db2.gz RKRXKOYLAUJHBZ-UHFFFAOYSA-N 1 2 382.552 3.992 20 30 GHEDLO C[C@@H]1CCCN(c2cc(N3CCC(C#N)(c4ccccc4F)CC3)[nH+]cn2)C1 ZINC001158892090 1034322430 /nfs/dbraw/zinc/32/24/30/1034322430.db2.gz LOTKBALJODLEDW-QGZVFWFLSA-N 1 2 379.483 3.914 20 30 GHEDLO C[C@@H]1CCCN(c2cc(N3CCC(C#N)(c4ccccc4F)CC3)nc[nH+]2)C1 ZINC001158892090 1034322446 /nfs/dbraw/zinc/32/24/46/1034322446.db2.gz LOTKBALJODLEDW-QGZVFWFLSA-N 1 2 379.483 3.914 20 30 GHEDLO N#Cc1c(F)cccc1C[NH+]1CCC(Cc2nc(-c3ccc(F)cn3)no2)CC1 ZINC001207519013 1034422761 /nfs/dbraw/zinc/42/27/61/1034422761.db2.gz LYOVWJKARTZNHZ-UHFFFAOYSA-N 1 2 395.413 3.736 20 30 GHEDLO C=C(C)CNC(=O)[C@@H]1CC12CC[NH+](Cc1c(C)cc(Cl)nc1Cl)CC2 ZINC001277510494 1034547184 /nfs/dbraw/zinc/54/71/84/1034547184.db2.gz OMDJBVQXFHEKQI-HNNXBMFYSA-N 1 2 382.335 3.991 20 30 GHEDLO C=CCCCCC[N@@H+]1CCc2c(nnn2CC2CC2)[C@H]1COCc1cccnc1 ZINC001209425073 1035272046 /nfs/dbraw/zinc/27/20/46/1035272046.db2.gz ZCLJZZLUBPDYFD-JOCHJYFZSA-N 1 2 395.551 3.946 20 30 GHEDLO C=CCCCCC[N@H+]1CCc2c(nnn2CC2CC2)[C@H]1COCc1cccnc1 ZINC001209425073 1035272048 /nfs/dbraw/zinc/27/20/48/1035272048.db2.gz ZCLJZZLUBPDYFD-JOCHJYFZSA-N 1 2 395.551 3.946 20 30 GHEDLO CN1CC[NH+](CCNc2ccc(-c3ccc(C#C[Si](C)(C)C)cc3)cn2)CC1 ZINC001241560830 1035623168 /nfs/dbraw/zinc/62/31/68/1035623168.db2.gz QNWKMIBDTDROIV-UHFFFAOYSA-N 1 2 392.623 3.637 20 30 GHEDLO C=CC(C)(C)CCCNC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC001248435921 1035853062 /nfs/dbraw/zinc/85/30/62/1035853062.db2.gz QTRHMXHJBXNRLC-FQEVSTJZSA-N 1 2 387.568 3.911 20 30 GHEDLO CCOC[C@H]1C[N@H+](Cc2ccc(C#N)cc2CC)Cc2ncn(CC3CC3)c21 ZINC001248749910 1036106915 /nfs/dbraw/zinc/10/69/15/1036106915.db2.gz PWDYXCMLGPZQRT-OAQYLSRUSA-N 1 2 378.520 3.863 20 30 GHEDLO CCOC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2CC)Cc2ncn(CC3CC3)c21 ZINC001248749910 1036106922 /nfs/dbraw/zinc/10/69/22/1036106922.db2.gz PWDYXCMLGPZQRT-OAQYLSRUSA-N 1 2 378.520 3.863 20 30 GHEDLO CCc1sc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)cc1Br ZINC001232289748 1038022623 /nfs/dbraw/zinc/02/26/23/1038022623.db2.gz WMYHSQWIJAMFAX-UHFFFAOYSA-N 1 2 391.338 3.662 20 30 GHEDLO N#Cc1cc(Br)ccc1-c1noc([C@H]2Cc3ccccc3C[NH2+]2)n1 ZINC001247510881 1038232593 /nfs/dbraw/zinc/23/25/93/1038232593.db2.gz YTSLWFKZALTVKF-MRXNPFEDSA-N 1 2 381.233 3.758 20 30 GHEDLO C=CCC[C@H]([NH3+])c1nc(-c2ccccc2CS(=O)(=O)c2ccccc2)no1 ZINC001247622139 1038279260 /nfs/dbraw/zinc/27/92/60/1038279260.db2.gz GSJNECXSQCRITQ-SFHVURJKSA-N 1 2 383.473 3.677 20 30 GHEDLO Cc1sc(C[N@@H+]2CCC[C@@]23CCN(CCCC#N)C3=O)cc1Br ZINC001277680568 1038322174 /nfs/dbraw/zinc/32/21/74/1038322174.db2.gz ZWAQDZLIASEMPZ-KRWDZBQOSA-N 1 2 396.354 3.690 20 30 GHEDLO Cc1sc(C[N@H+]2CCC[C@@]23CCN(CCCC#N)C3=O)cc1Br ZINC001277680568 1038322187 /nfs/dbraw/zinc/32/21/87/1038322187.db2.gz ZWAQDZLIASEMPZ-KRWDZBQOSA-N 1 2 396.354 3.690 20 30 GHEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC2(CC1)NC(=O)C[C@@H]2c1ccccc1 ZINC001232607600 1038390584 /nfs/dbraw/zinc/39/05/84/1038390584.db2.gz LMJOPBNVUMADPJ-HXUWFJFHSA-N 1 2 379.891 3.850 20 30 GHEDLO CC[N@@H+](Cc1ccc(Cl)cc1C#N)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001232608493 1038393155 /nfs/dbraw/zinc/39/31/55/1038393155.db2.gz KKCIRIPRVOCTTO-JOCHJYFZSA-N 1 2 383.923 3.935 20 30 GHEDLO CC[N@H+](Cc1ccc(Cl)cc1C#N)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001232608493 1038393166 /nfs/dbraw/zinc/39/31/66/1038393166.db2.gz KKCIRIPRVOCTTO-JOCHJYFZSA-N 1 2 383.923 3.935 20 30 GHEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC(F)(F)[C@]2(CCN(c3ccccn3)C2)C1 ZINC001232891899 1038680780 /nfs/dbraw/zinc/68/07/80/1038680780.db2.gz WAOCEGHKGMIINU-HXUWFJFHSA-N 1 2 386.421 3.830 20 30 GHEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC(F)(F)[C@]2(CCN(c3ccccn3)C2)C1 ZINC001232891899 1038680783 /nfs/dbraw/zinc/68/07/83/1038680783.db2.gz WAOCEGHKGMIINU-HXUWFJFHSA-N 1 2 386.421 3.830 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2cccc(C#N)n2)[C@H](Cc2ccccc2)C1 ZINC001232924497 1038713486 /nfs/dbraw/zinc/71/34/86/1038713486.db2.gz GCQWLWUPBVACHX-OAQYLSRUSA-N 1 2 392.503 3.617 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2cccc(C#N)n2)[C@H](Cc2ccccc2)C1 ZINC001232924497 1038713496 /nfs/dbraw/zinc/71/34/96/1038713496.db2.gz GCQWLWUPBVACHX-OAQYLSRUSA-N 1 2 392.503 3.617 20 30 GHEDLO C=CCOC[C@@H]1C[N@H+](Cc2ccc(C3CC3)cc2)Cc2nnn(CC3CC3)c21 ZINC001232982095 1038748719 /nfs/dbraw/zinc/74/87/19/1038748719.db2.gz OTYBOJFXQBWHDE-NRFANRHFSA-N 1 2 378.520 3.868 20 30 GHEDLO C=CCOC[C@@H]1C[N@@H+](Cc2ccc(C3CC3)cc2)Cc2nnn(CC3CC3)c21 ZINC001232982095 1038748727 /nfs/dbraw/zinc/74/87/27/1038748727.db2.gz OTYBOJFXQBWHDE-NRFANRHFSA-N 1 2 378.520 3.868 20 30 GHEDLO C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(F)c(F)c1Br)CC2 ZINC001277750103 1038779217 /nfs/dbraw/zinc/77/92/17/1038779217.db2.gz HBTVEFPAHLOXDV-CYBMUJFWSA-N 1 2 399.279 3.632 20 30 GHEDLO CCCCCCCC[C@@H](O)C[N@H+]1Cc2nnn(CC3CC3)c2[C@@H](COCC)C1 ZINC001252126358 1038873006 /nfs/dbraw/zinc/87/30/06/1038873006.db2.gz OXNSYAXNPPPQHE-WOJBJXKFSA-N 1 2 392.588 3.735 20 30 GHEDLO CCCCCCCC[C@@H](O)C[N@@H+]1Cc2nnn(CC3CC3)c2[C@@H](COCC)C1 ZINC001252126358 1038873035 /nfs/dbraw/zinc/87/30/35/1038873035.db2.gz OXNSYAXNPPPQHE-WOJBJXKFSA-N 1 2 392.588 3.735 20 30 GHEDLO C=CCC[C@@H](O)CNc1c[nH+]cc(F)c1N1CCC(C(=O)OC(C)(C)C)CC1 ZINC001252593922 1039040159 /nfs/dbraw/zinc/04/01/59/1039040159.db2.gz PFOWOUNISDVGNJ-MRXNPFEDSA-N 1 2 393.503 3.518 20 30 GHEDLO COc1cc(C#N)ccc1OC1CC[NH+](Cc2c[nH]c(Br)c2)CC1 ZINC001233437611 1039316588 /nfs/dbraw/zinc/31/65/88/1039316588.db2.gz GTBYMFKCHAIVSO-UHFFFAOYSA-N 1 2 390.281 3.701 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC2(C1)CCC([N@@H+]1CC[C@@H]3SC(=O)C=C3C1)CC2 ZINC001254877220 1040623768 /nfs/dbraw/zinc/62/37/68/1040623768.db2.gz FLQYMWZRGNHYEN-BATSVXPKSA-N 1 2 392.565 3.830 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC2(C1)CCC([N@H+]1CC[C@@H]3SC(=O)C=C3C1)CC2 ZINC001254877220 1040623793 /nfs/dbraw/zinc/62/37/93/1040623793.db2.gz FLQYMWZRGNHYEN-BATSVXPKSA-N 1 2 392.565 3.830 20 30 GHEDLO N#CCCN(Cc1ccccc1)C1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255001589 1040722444 /nfs/dbraw/zinc/72/24/44/1040722444.db2.gz OXLRWHXQNAXKNV-CWAQXLGLSA-N 1 2 375.516 3.834 20 30 GHEDLO N#CCCN(Cc1ccccc1)C1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccccc1 ZINC001255001589 1040722456 /nfs/dbraw/zinc/72/24/56/1040722456.db2.gz OXLRWHXQNAXKNV-CWAQXLGLSA-N 1 2 375.516 3.834 20 30 GHEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1ccc(OC)c(Cl)c1O)CCO2 ZINC001236813529 1041912877 /nfs/dbraw/zinc/91/28/77/1041912877.db2.gz OAUSNTUJWLNCOW-OXQOHEQNSA-N 1 2 381.900 3.628 20 30 GHEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1ccc(OC)c(Cl)c1O)CCO2 ZINC001236813529 1041912880 /nfs/dbraw/zinc/91/28/80/1041912880.db2.gz OAUSNTUJWLNCOW-OXQOHEQNSA-N 1 2 381.900 3.628 20 30 GHEDLO CCOC(=O)c1nc(C[N@@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)sc1C ZINC001237238807 1042102060 /nfs/dbraw/zinc/10/20/60/1042102060.db2.gz BCFPEXFOPCVNES-KRWDZBQOSA-N 1 2 385.489 3.543 20 30 GHEDLO CCOC(=O)c1nc(C[N@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)sc1C ZINC001237238807 1042102065 /nfs/dbraw/zinc/10/20/65/1042102065.db2.gz BCFPEXFOPCVNES-KRWDZBQOSA-N 1 2 385.489 3.543 20 30 GHEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cccc(Cl)c1C(=O)OCC)C2 ZINC001238046406 1042472258 /nfs/dbraw/zinc/47/22/58/1042472258.db2.gz RASPGXSSOVUDND-LAUBAEHRSA-N 1 2 393.911 3.843 20 30 GHEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cccc(Cl)c1C(=O)OCC)C2 ZINC001238046406 1042472263 /nfs/dbraw/zinc/47/22/63/1042472263.db2.gz RASPGXSSOVUDND-LAUBAEHRSA-N 1 2 393.911 3.843 20 30 GHEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cccc(Cl)c1C(=O)OCC)C2 ZINC001238046407 1042472366 /nfs/dbraw/zinc/47/23/66/1042472366.db2.gz RASPGXSSOVUDND-UTKZUKDTSA-N 1 2 393.911 3.843 20 30 GHEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1cccc(Cl)c1C(=O)OCC)C2 ZINC001238046407 1042472371 /nfs/dbraw/zinc/47/23/71/1042472371.db2.gz RASPGXSSOVUDND-UTKZUKDTSA-N 1 2 393.911 3.843 20 30 GHEDLO COc1cc(CN2CC[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)ccc1C#N ZINC001238415104 1042588889 /nfs/dbraw/zinc/58/88/89/1042588889.db2.gz FFAXOENMFNVSPR-FQEVSTJZSA-N 1 2 389.421 3.816 20 30 GHEDLO COc1cc(CN2CC[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)ccc1C#N ZINC001238415104 1042588892 /nfs/dbraw/zinc/58/88/92/1042588892.db2.gz FFAXOENMFNVSPR-FQEVSTJZSA-N 1 2 389.421 3.816 20 30 GHEDLO CCc1cc(C[N@@H+]2Cc3ccccc3C[C@H]2C(=O)NC(C)(C)C)ccc1C#N ZINC001238779275 1042724915 /nfs/dbraw/zinc/72/49/15/1042724915.db2.gz VDCJOCUOFPMYPZ-QFIPXVFZSA-N 1 2 375.516 3.962 20 30 GHEDLO CCc1cc(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)NC(C)(C)C)ccc1C#N ZINC001238779275 1042724919 /nfs/dbraw/zinc/72/49/19/1042724919.db2.gz VDCJOCUOFPMYPZ-QFIPXVFZSA-N 1 2 375.516 3.962 20 30 GHEDLO C=C[C@@H]1C[C@]1([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C1)C(=O)OCC ZINC001257182811 1043922626 /nfs/dbraw/zinc/92/26/26/1043922626.db2.gz NNPCLGZZONNIFG-KYFSNAEOSA-N 1 2 380.529 3.508 20 30 GHEDLO C=C[C@@H]1C[C@]1([NH2+][C@@H]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1)C(=O)OCC ZINC001257801574 1044184360 /nfs/dbraw/zinc/18/43/60/1044184360.db2.gz XDABKMSXXUCMRI-FTIBCMOBSA-N 1 2 392.540 3.654 20 30 GHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H](CC#N)c1ccccc1 ZINC001265484077 1047617165 /nfs/dbraw/zinc/61/71/65/1047617165.db2.gz TWKCQNVQHXWTKD-OAQYLSRUSA-N 1 2 376.504 3.844 20 30 GHEDLO C#C[C@@H](C)N(C)c1nnc(CC2CCCC2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001286306125 1048267394 /nfs/dbraw/zinc/26/73/94/1048267394.db2.gz YICNGTQQSQVUNP-IEBWSBKVSA-N 1 2 380.540 3.551 20 30 GHEDLO N#Cc1cccc(C2(C(=O)NCCN(Cc3ccccc3)c3cccc[nH+]3)CC2)c1 ZINC001288600207 1049155528 /nfs/dbraw/zinc/15/55/28/1049155528.db2.gz JGARUEIVGDHCKN-UHFFFAOYSA-N 1 2 396.494 3.808 20 30 GHEDLO N#Cc1csc(C[N@H+]2CCC[C@H]([C@H](O)c3ccc(Br)cc3)C2)n1 ZINC001307810306 1049607098 /nfs/dbraw/zinc/60/70/98/1049607098.db2.gz BKDANPBXLWBYEF-SUMWQHHRSA-N 1 2 392.322 3.723 20 30 GHEDLO N#Cc1csc(C[N@@H+]2CCC[C@H]([C@H](O)c3ccc(Br)cc3)C2)n1 ZINC001307810306 1049607103 /nfs/dbraw/zinc/60/71/03/1049607103.db2.gz BKDANPBXLWBYEF-SUMWQHHRSA-N 1 2 392.322 3.723 20 30 GHEDLO C[N@@H+](Cc1cccc(F)c1C#N)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001308899907 1050148892 /nfs/dbraw/zinc/14/88/92/1050148892.db2.gz NQAUUKJTYBWYLL-OAHLLOKOSA-N 1 2 383.250 3.876 20 30 GHEDLO C[N@H+](Cc1cccc(F)c1C#N)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001308899907 1050148896 /nfs/dbraw/zinc/14/88/96/1050148896.db2.gz NQAUUKJTYBWYLL-OAHLLOKOSA-N 1 2 383.250 3.876 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCc3cccc(OCC#N)c3)n2)C1 ZINC001328225787 1050448315 /nfs/dbraw/zinc/44/83/15/1050448315.db2.gz HKYLYRXFBJBQKN-OAHLLOKOSA-N 1 2 399.520 3.599 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCc3cccc(OCC#N)c3)n2)C1 ZINC001328225787 1050448336 /nfs/dbraw/zinc/44/83/36/1050448336.db2.gz HKYLYRXFBJBQKN-OAHLLOKOSA-N 1 2 399.520 3.599 20 30 GHEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001311683089 1052327784 /nfs/dbraw/zinc/32/77/84/1052327784.db2.gz XCCLHKARQROLTQ-FQEVSTJZSA-N 1 2 389.434 3.760 20 30 GHEDLO C#CC[C@@H](CC)c1nnc(N2CCC(Nc3cccc[nH+]3)CC2)n1CC(=C)C ZINC001342513386 1053209398 /nfs/dbraw/zinc/20/93/98/1053209398.db2.gz VODPPBCHPCQQNR-GOSISDBHSA-N 1 2 378.524 3.847 20 30 GHEDLO CC(C)Cn1c([C@@H]2C[C@H]2C#N)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001342888596 1053412800 /nfs/dbraw/zinc/41/28/00/1053412800.db2.gz DOONXSDFYQAPMY-PKOBYXMFSA-N 1 2 398.942 3.537 20 30 GHEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@H]1c1ccc(C)cc1 ZINC001343314919 1053698287 /nfs/dbraw/zinc/69/82/87/1053698287.db2.gz LHLOHUNCDUBQIW-IBGZPJMESA-N 1 2 376.508 3.828 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC=C(c2ccc(O)cc2)CC1 ZINC001343545762 1053863549 /nfs/dbraw/zinc/86/35/49/1053863549.db2.gz GEFMLTXGRCDBFU-FQEVSTJZSA-N 1 2 379.508 3.620 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC=C(c2ccc(O)cc2)CC1 ZINC001343545762 1053863578 /nfs/dbraw/zinc/86/35/78/1053863578.db2.gz GEFMLTXGRCDBFU-FQEVSTJZSA-N 1 2 379.508 3.620 20 30 GHEDLO C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCC[N@H+]2C)n1C[C@H]1CCOC1 ZINC001345330963 1054991705 /nfs/dbraw/zinc/99/17/05/1054991705.db2.gz LCFIGLDJWXDHRR-NHCUHLMSSA-N 1 2 395.551 3.664 20 30 GHEDLO C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCC[N@@H+]2C)n1C[C@H]1CCOC1 ZINC001345330963 1054991711 /nfs/dbraw/zinc/99/17/11/1054991711.db2.gz LCFIGLDJWXDHRR-NHCUHLMSSA-N 1 2 395.551 3.664 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@H]1c1ccccc1 ZINC001356082363 1057381860 /nfs/dbraw/zinc/38/18/60/1057381860.db2.gz CRPUZVJBURJLNV-NRFANRHFSA-N 1 2 390.535 3.899 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@@H]3CCC[C@H](C(F)(F)F)C3)CC2)cc1 ZINC001440432060 1058517011 /nfs/dbraw/zinc/51/70/11/1058517011.db2.gz QZJVYJLSQXIITI-MOPGFXCFSA-N 1 2 393.453 3.961 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@@H]1[C@H](C)c1ccccc1 ZINC001339094344 1058957296 /nfs/dbraw/zinc/95/72/96/1058957296.db2.gz FEKJZPUOTKCSFZ-IEBWSBKVSA-N 1 2 376.508 3.561 20 30 GHEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCC[C@@H]1c1cccs1 ZINC001339475597 1059240855 /nfs/dbraw/zinc/24/08/55/1059240855.db2.gz NLVOPANKYHWPRK-KURKYZTESA-N 1 2 399.564 3.793 20 30 GHEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCC[C@@H]1c1cccs1 ZINC001339475597 1059240863 /nfs/dbraw/zinc/24/08/63/1059240863.db2.gz NLVOPANKYHWPRK-KURKYZTESA-N 1 2 399.564 3.793 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCc2ccccc2[C@H]1C ZINC001340151860 1059730561 /nfs/dbraw/zinc/73/05/61/1059730561.db2.gz JWKSLKREKAYJAO-QGZVFWFLSA-N 1 2 378.524 3.515 20 30 GHEDLO C=C(CC)C(=O)N1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC001546011492 1060332576 /nfs/dbraw/zinc/33/25/76/1060332576.db2.gz IOROXJUVZAJYSI-UHFFFAOYSA-N 1 2 378.516 3.903 20 30 GHEDLO CC[N@H+](Cc1ccc(C(O)=C(C#N)c2nc(N)c3ccccc3n2)cc1)C(C)C ZINC001341932093 1060956565 /nfs/dbraw/zinc/95/65/65/1060956565.db2.gz YZVVUNFLLNUNPM-LJQANCHMSA-N 1 2 387.487 3.932 20 30 GHEDLO CC[N@@H+](Cc1ccc(C(O)=C(C#N)c2nc(N)c3ccccc3n2)cc1)C(C)C ZINC001341932093 1060956568 /nfs/dbraw/zinc/95/65/68/1060956568.db2.gz YZVVUNFLLNUNPM-LJQANCHMSA-N 1 2 387.487 3.932 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC[C@]2(C1)CCCOC2 ZINC001341932341 1060957140 /nfs/dbraw/zinc/95/71/40/1060957140.db2.gz WOLXFIMAMYBDLA-KNQAVFIVSA-N 1 2 398.555 3.693 20 30 GHEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC[C@@H]1c1ccccc1 ZINC001342018698 1060999217 /nfs/dbraw/zinc/99/92/17/1060999217.db2.gz GIQDXIUIIJFQFD-UXHICEINSA-N 1 2 381.524 3.587 20 30 GHEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC[C@@H]1c1ccccc1 ZINC001342018698 1060999226 /nfs/dbraw/zinc/99/92/26/1060999226.db2.gz GIQDXIUIIJFQFD-UXHICEINSA-N 1 2 381.524 3.587 20 30 GHEDLO N#Cc1cccc(-c2cc(C(=O)NCCn3c[nH+]cc3-c3ccccc3)on2)c1 ZINC001454318733 1061717357 /nfs/dbraw/zinc/71/73/57/1061717357.db2.gz CMHTZNXAXKGFEL-UHFFFAOYSA-N 1 2 383.411 3.507 20 30 GHEDLO C#CCC(C)(C)c1nnc(N2CCC(Nc3cccc[nH+]3)CC2)n1CC(=C)C ZINC001346657009 1061771602 /nfs/dbraw/zinc/77/16/02/1061771602.db2.gz HIRFVEVCPCPUIN-UHFFFAOYSA-N 1 2 378.524 3.631 20 30 GHEDLO Cc1cc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)cc(C)c1C#N ZINC001435751575 1062910398 /nfs/dbraw/zinc/91/03/98/1062910398.db2.gz WDQZUPDYODMDNN-SFTDATJTSA-N 1 2 397.906 3.630 20 30 GHEDLO Cc1cc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)cc(C)c1C#N ZINC001435751575 1062910399 /nfs/dbraw/zinc/91/03/99/1062910399.db2.gz WDQZUPDYODMDNN-SFTDATJTSA-N 1 2 397.906 3.630 20 30 GHEDLO Cc1ccc(C(=O)NCCc2cn(Cc3ccc(Cl)cc3)c[nH+]2)cc1C#N ZINC001457270479 1063068469 /nfs/dbraw/zinc/06/84/69/1063068469.db2.gz XBCHNBFEIFEFEL-UHFFFAOYSA-N 1 2 378.863 3.737 20 30 GHEDLO Cc1cc(C#N)cc(Sc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)n1 ZINC001458079443 1063551894 /nfs/dbraw/zinc/55/18/94/1063551894.db2.gz RKMHKIOINGHLQB-UHFFFAOYSA-N 1 2 376.489 3.589 20 30 GHEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](CCSc2cccc(Cl)c2)CC1 ZINC001459689981 1064170728 /nfs/dbraw/zinc/17/07/28/1064170728.db2.gz GRFTVACLGSLOCE-UHFFFAOYSA-N 1 2 388.924 3.991 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@H]2CCCC[C@H]2C1 ZINC001351949895 1064726489 /nfs/dbraw/zinc/72/64/89/1064726489.db2.gz UGMHHBKGCNHTCZ-QUCCMNQESA-N 1 2 382.556 3.574 20 30 GHEDLO C#CCN(C)c1nnc(Cn2ccc3ccccc32)n1CCCc1cccc(C)[nH+]1 ZINC001358952305 1067628157 /nfs/dbraw/zinc/62/81/57/1067628157.db2.gz FZISFUJGGSNTFA-UHFFFAOYSA-N 1 2 398.514 3.687 20 30 GHEDLO C=CCN(C)c1nnc(-c2ccccn2)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001359236638 1067842113 /nfs/dbraw/zinc/84/21/13/1067842113.db2.gz TVOZQQSEGLNGCX-SFHVURJKSA-N 1 2 398.461 3.543 20 30 GHEDLO C=CCN(c1nnc(CC(C)(C)C)n1CCc1cn2ccccc2[nH+]1)C1CC1 ZINC001359251957 1067902649 /nfs/dbraw/zinc/90/26/49/1067902649.db2.gz ZTASQZOIMRNUBT-UHFFFAOYSA-N 1 2 378.524 3.912 20 30 GHEDLO Cc1oc(NC(=O)C[NH+]2CCC(Cc3cc(F)cc(F)c3)CC2)c(C#N)c1C ZINC001460100774 1068782634 /nfs/dbraw/zinc/78/26/34/1068782634.db2.gz DQBLWGLQFFWHPH-UHFFFAOYSA-N 1 2 387.430 3.940 20 30 GHEDLO C#CC1CC[NH+](CC(=O)Nc2cc(-c3ccccc3)sc2C(=O)OCC)CC1 ZINC001460288517 1068908496 /nfs/dbraw/zinc/90/84/96/1068908496.db2.gz DNVXDBKJYSDNLW-UHFFFAOYSA-N 1 2 396.512 3.876 20 30 GHEDLO C=CCCCN(CC)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC001478351603 1078827244 /nfs/dbraw/zinc/82/72/44/1078827244.db2.gz GEJPHYNGFGFFII-MOPGFXCFSA-N 1 2 379.932 3.709 20 30 GHEDLO C=CCCCN(CC)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC001478351603 1078827251 /nfs/dbraw/zinc/82/72/51/1078827251.db2.gz GEJPHYNGFGFFII-MOPGFXCFSA-N 1 2 379.932 3.709 20 30 GHEDLO CC(C)c1cccc(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC001478463226 1078878023 /nfs/dbraw/zinc/87/80/23/1078878023.db2.gz VHXUDENKFIQCRH-UHFFFAOYSA-N 1 2 376.504 3.709 20 30 GHEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001470557714 1072625251 /nfs/dbraw/zinc/62/52/51/1072625251.db2.gz KMSJHVHNZAOGAR-VXKWHMMOSA-N 1 2 385.471 3.873 20 30 GHEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC001473152554 1073811812 /nfs/dbraw/zinc/81/18/12/1073811812.db2.gz BNIUBOWLWDEGMY-FQEVSTJZSA-N 1 2 379.460 3.806 20 30 GHEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC001473152554 1073811817 /nfs/dbraw/zinc/81/18/17/1073811817.db2.gz BNIUBOWLWDEGMY-FQEVSTJZSA-N 1 2 379.460 3.806 20 30 GHEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCc3nc[nH]c3[C@H]2c2ccc(Cl)cc2)cc1 ZINC001473815581 1074157648 /nfs/dbraw/zinc/15/76/48/1074157648.db2.gz ZZWVCEIPNDUEBH-TZIWHRDSSA-N 1 2 378.863 3.616 20 30 GHEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCc3nc[nH]c3[C@H]2c2ccc(Cl)cc2)cc1 ZINC001473815581 1074157652 /nfs/dbraw/zinc/15/76/52/1074157652.db2.gz ZZWVCEIPNDUEBH-TZIWHRDSSA-N 1 2 378.863 3.616 20 30 GHEDLO N#Cc1ccccc1N1CC[NH+](Cc2cccc(F)c2OCC(F)(F)F)CC1 ZINC001474413854 1074394858 /nfs/dbraw/zinc/39/48/58/1074394858.db2.gz AOXCDMSOFLRVLK-UHFFFAOYSA-N 1 2 393.384 3.961 20 30 GHEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056895927 206210857 /nfs/dbraw/zinc/21/08/57/206210857.db2.gz YSDZKYNPBGKNJB-UHFFFAOYSA-N 1 2 376.460 3.779 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)c(C#N)c1C ZINC000247225091 837452753 /nfs/dbraw/zinc/45/27/53/837452753.db2.gz RPYMWUCKKNGITH-YLJYHZDGSA-N 1 2 395.503 3.819 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)c(C#N)c1C ZINC000247225091 837452758 /nfs/dbraw/zinc/45/27/58/837452758.db2.gz RPYMWUCKKNGITH-YLJYHZDGSA-N 1 2 395.503 3.819 20 30 GHEDLO N#CCCC[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccccc1 ZINC000431779615 837476478 /nfs/dbraw/zinc/47/64/78/837476478.db2.gz UUJPWCUZUGUFKB-HXUWFJFHSA-N 1 2 377.492 3.916 20 30 GHEDLO COc1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000430179510 834798401 /nfs/dbraw/zinc/79/84/01/834798401.db2.gz OQLRHDAEDUJPOH-OAHLLOKOSA-N 1 2 378.259 3.922 20 30 GHEDLO COc1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000430179510 834798406 /nfs/dbraw/zinc/79/84/06/834798406.db2.gz OQLRHDAEDUJPOH-OAHLLOKOSA-N 1 2 378.259 3.922 20 30 GHEDLO COc1ccc(C)cc1CO[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000060197180 834902317 /nfs/dbraw/zinc/90/23/17/834902317.db2.gz YNTJIRANKRMHJV-UHFFFAOYSA-N 1 2 377.444 3.815 20 30 GHEDLO CCc1ccc(C[NH+]2CCN(C(=O)C3(c4ccc(C#N)cc4)CC3)CC2)s1 ZINC000187157159 835076519 /nfs/dbraw/zinc/07/65/19/835076519.db2.gz PFBLNKJLRIXIMS-UHFFFAOYSA-N 1 2 379.529 3.558 20 30 GHEDLO C[C@@H](C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)[NH+]1CCSCC1 ZINC000179035353 835520092 /nfs/dbraw/zinc/52/00/92/835520092.db2.gz ITDVYMVGZXKGOL-INIZCTEOSA-N 1 2 381.501 3.513 20 30 GHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c1C#N ZINC000428749478 844063306 /nfs/dbraw/zinc/06/33/06/844063306.db2.gz IHHUAVYUQWUJCK-GHTZIAJQSA-N 1 2 398.457 3.881 20 30 GHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c1C#N ZINC000428749478 844063313 /nfs/dbraw/zinc/06/33/13/844063313.db2.gz IHHUAVYUQWUJCK-GHTZIAJQSA-N 1 2 398.457 3.881 20 30 GHEDLO C=CCOc1ccc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1OC ZINC000109241447 835711814 /nfs/dbraw/zinc/71/18/14/835711814.db2.gz RATOCIAGESRCFF-UHFFFAOYSA-N 1 2 393.443 3.788 20 30 GHEDLO N#Cc1cccc(OC2CC[NH+](Cc3ccn(-c4ccc(F)cc4)n3)CC2)c1 ZINC000173666935 836258447 /nfs/dbraw/zinc/25/84/47/836258447.db2.gz XPKDAFMQYUEWSL-UHFFFAOYSA-N 1 2 376.435 3.926 20 30 GHEDLO COc1ccc(C[NH+]2CCN(c3c(C#N)cnc4c(C)cccc43)CC2)cc1F ZINC000610245497 836299628 /nfs/dbraw/zinc/29/96/28/836299628.db2.gz JSHRNLVKCPHNPU-UHFFFAOYSA-N 1 2 390.462 3.885 20 30 GHEDLO N#Cc1ccccc1OCc1cccc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000120869624 836898025 /nfs/dbraw/zinc/89/80/25/836898025.db2.gz NMJKTDJCYJKMDC-QFIPXVFZSA-N 1 2 399.450 3.826 20 30 GHEDLO Cn1cc(CNc2ccc([NH+]3CCC(O)CC3)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000180084496 837226806 /nfs/dbraw/zinc/22/68/06/837226806.db2.gz BKAHYMMZCFABGV-UHFFFAOYSA-N 1 2 387.487 3.532 20 30 GHEDLO N#Cc1ccc(-c2nnc(C[NH2+][C@H](c3cccs3)C3(CO)CCC3)o2)cc1 ZINC000452064194 837369740 /nfs/dbraw/zinc/36/97/40/837369740.db2.gz ZLLUDZOGVUUIPU-GOSISDBHSA-N 1 2 380.473 3.663 20 30 GHEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000378268874 838719632 /nfs/dbraw/zinc/71/96/32/838719632.db2.gz WZFKMYUFXVCNNQ-HXUWFJFHSA-N 1 2 386.455 3.500 20 30 GHEDLO CC[C@H]1C[N@H+](Cc2ccc(C#N)cc2Br)[C@@H](CC)CN1C(C)=O ZINC000481148015 839055080 /nfs/dbraw/zinc/05/50/80/839055080.db2.gz WBDHMGXLAGRZCF-IRXDYDNUSA-N 1 2 378.314 3.542 20 30 GHEDLO CC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Br)[C@@H](CC)CN1C(C)=O ZINC000481148015 839055099 /nfs/dbraw/zinc/05/50/99/839055099.db2.gz WBDHMGXLAGRZCF-IRXDYDNUSA-N 1 2 378.314 3.542 20 30 GHEDLO C[C@H](O[NH+]=C(N)c1ccc(OCc2cccnc2)cc1)c1nc(C(C)(C)C)no1 ZINC000174131336 839464148 /nfs/dbraw/zinc/46/41/48/839464148.db2.gz IXYITRNRUYVEIH-AWEZNQCLSA-N 1 2 395.463 3.739 20 30 GHEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000416811541 840194180 /nfs/dbraw/zinc/19/41/80/840194180.db2.gz KYNUTPWBFSFISR-UHFFFAOYSA-N 1 2 394.475 3.583 20 30 GHEDLO C=CCOc1ccc(OC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)cc1 ZINC000173521177 840213364 /nfs/dbraw/zinc/21/33/64/840213364.db2.gz RVBFOORBDNYLAU-UHFFFAOYSA-N 1 2 391.427 3.696 20 30 GHEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000580941306 840481395 /nfs/dbraw/zinc/48/13/95/840481395.db2.gz XWQIPMNOQPFZEY-JOCHJYFZSA-N 1 2 399.498 3.722 20 30 GHEDLO COc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])cc1OC(F)F ZINC000573614726 844609506 /nfs/dbraw/zinc/60/95/06/844609506.db2.gz OFZMPJJZRXLJRQ-UHFFFAOYSA-N 1 2 377.347 3.708 20 30 GHEDLO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])cc1OC(F)F ZINC000573614726 844609511 /nfs/dbraw/zinc/60/95/11/844609511.db2.gz OFZMPJJZRXLJRQ-UHFFFAOYSA-N 1 2 377.347 3.708 20 30 GHEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)C1=O ZINC000120305407 841319857 /nfs/dbraw/zinc/31/98/57/841319857.db2.gz ZASSPNDDOWYJRS-DLBZAZTESA-N 1 2 387.892 3.532 20 30 GHEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)C1=O ZINC000120305407 841319868 /nfs/dbraw/zinc/31/98/68/841319868.db2.gz ZASSPNDDOWYJRS-DLBZAZTESA-N 1 2 387.892 3.532 20 30 GHEDLO O=C(NCc1cc(Cl)c2c(c1)OCCCO2)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329255509 861208649 /nfs/dbraw/zinc/20/86/49/861208649.db2.gz AOKXJJHHMXDJBP-QGZVFWFLSA-N 1 2 394.899 3.601 20 30 GHEDLO O=C(NCc1cc(Cl)c2c(c1)OCCCO2)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329255509 861208669 /nfs/dbraw/zinc/20/86/69/861208669.db2.gz AOKXJJHHMXDJBP-QGZVFWFLSA-N 1 2 394.899 3.601 20 30 GHEDLO Cn1c[nH+]cc1CCNC(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000121482662 842415048 /nfs/dbraw/zinc/41/50/48/842415048.db2.gz UQDWMNIIBISWNG-UHFFFAOYSA-N 1 2 376.485 3.557 20 30 GHEDLO Cc1nn(C(C)C)c(C)c1C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000891654151 842550602 /nfs/dbraw/zinc/55/06/02/842550602.db2.gz XDCYXOKNXGHLNN-UHFFFAOYSA-N 1 2 394.479 3.523 20 30 GHEDLO CS(=O)(=O)c1cccc([C@@H]([NH2+]CC2(CC#N)CC2)c2ccc(F)cc2F)c1 ZINC000430745229 842918752 /nfs/dbraw/zinc/91/87/52/842918752.db2.gz WJDJLUHNPSNOTK-LJQANCHMSA-N 1 2 390.455 3.741 20 30 GHEDLO Cn1nc(C(F)(F)F)cc1CNc1cc[nH+]c(OCC(F)(F)C(F)F)c1 ZINC000663258065 842926967 /nfs/dbraw/zinc/92/69/67/842926967.db2.gz URFXWAYIZJQCHE-UHFFFAOYSA-N 1 2 386.271 3.725 20 30 GHEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)CC1 ZINC000329386641 861361473 /nfs/dbraw/zinc/36/14/73/861361473.db2.gz SMXZLTYWEMVLNP-YXJHDRRASA-N 1 2 392.569 3.874 20 30 GHEDLO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+]([C@H]2CCCN(c3ccccc3F)C2=O)C1 ZINC000329391387 861367358 /nfs/dbraw/zinc/36/73/58/861367358.db2.gz SSBTXPXSPAIUQG-BEFAXECRSA-N 1 2 399.470 3.532 20 30 GHEDLO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+]([C@H]2CCCN(c3ccccc3F)C2=O)C1 ZINC000329391387 861367368 /nfs/dbraw/zinc/36/73/68/861367368.db2.gz SSBTXPXSPAIUQG-BEFAXECRSA-N 1 2 399.470 3.532 20 30 GHEDLO N#CCCn1cc(C[N@@H+]2CCO[C@H](c3ccccc3F)C2)c(-c2ccncc2)n1 ZINC000279396651 843043179 /nfs/dbraw/zinc/04/31/79/843043179.db2.gz MCEAXHOTGPAWPA-NRFANRHFSA-N 1 2 391.450 3.571 20 30 GHEDLO N#CCCn1cc(C[N@H+]2CCO[C@H](c3ccccc3F)C2)c(-c2ccncc2)n1 ZINC000279396651 843043187 /nfs/dbraw/zinc/04/31/87/843043187.db2.gz MCEAXHOTGPAWPA-NRFANRHFSA-N 1 2 391.450 3.571 20 30 GHEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCCSCc2ccccc2C#N)c1 ZINC000510783853 843488480 /nfs/dbraw/zinc/48/84/80/843488480.db2.gz UIXSDWRSQOOESP-UHFFFAOYSA-N 1 2 376.485 3.716 20 30 GHEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]2c2ccccc2Br)cc1 ZINC000610676288 843505929 /nfs/dbraw/zinc/50/59/29/843505929.db2.gz RNJADQADQDIMEL-LJQANCHMSA-N 1 2 398.304 3.774 20 30 GHEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2Br)cc1 ZINC000610676288 843505935 /nfs/dbraw/zinc/50/59/35/843505935.db2.gz RNJADQADQDIMEL-LJQANCHMSA-N 1 2 398.304 3.774 20 30 GHEDLO CC(C)[C@H](C#N)N1CC[NH+](Cc2cc(Br)cc3cccnc32)CC1 ZINC000610735068 843792035 /nfs/dbraw/zinc/79/20/35/843792035.db2.gz SSVKDTZATCZVHD-SFHVURJKSA-N 1 2 387.325 3.663 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC000599675367 861471661 /nfs/dbraw/zinc/47/16/61/861471661.db2.gz JFTBMJXLNPNDMI-UHFFFAOYSA-N 1 2 386.499 3.675 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC000599675367 861471677 /nfs/dbraw/zinc/47/16/77/861471677.db2.gz JFTBMJXLNPNDMI-UHFFFAOYSA-N 1 2 386.499 3.675 20 30 GHEDLO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677846 861467642 /nfs/dbraw/zinc/46/76/42/861467642.db2.gz PMPBHSMROOTBNI-CQSZACIVSA-N 1 2 383.879 3.800 20 30 GHEDLO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677846 861467651 /nfs/dbraw/zinc/46/76/51/861467651.db2.gz PMPBHSMROOTBNI-CQSZACIVSA-N 1 2 383.879 3.800 20 30 GHEDLO Cc1cc(NC(=O)C[N@@H+]2CCc3c(CC#N)cccc3C2)n(-c2ccc(C)cc2)n1 ZINC000599677244 861473659 /nfs/dbraw/zinc/47/36/59/861473659.db2.gz IRIWASDQHBFSPH-UHFFFAOYSA-N 1 2 399.498 3.552 20 30 GHEDLO Cc1cc(NC(=O)C[N@H+]2CCc3c(CC#N)cccc3C2)n(-c2ccc(C)cc2)n1 ZINC000599677244 861473666 /nfs/dbraw/zinc/47/36/66/861473666.db2.gz IRIWASDQHBFSPH-UHFFFAOYSA-N 1 2 399.498 3.552 20 30 GHEDLO C=CCN1CC[C@H]([N@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)C1=O ZINC000433304562 843991294 /nfs/dbraw/zinc/99/12/94/843991294.db2.gz NDLCUVIPKPNRGU-IRXDYDNUSA-N 1 2 382.426 3.644 20 30 GHEDLO C=CCN1CC[C@H]([N@@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)C1=O ZINC000433304562 843991301 /nfs/dbraw/zinc/99/13/01/843991301.db2.gz NDLCUVIPKPNRGU-IRXDYDNUSA-N 1 2 382.426 3.644 20 30 GHEDLO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)s1 ZINC000512631230 844824804 /nfs/dbraw/zinc/82/48/04/844824804.db2.gz QATWRZLFQHNLHI-CYBMUJFWSA-N 1 2 395.525 3.640 20 30 GHEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000411141851 845003208 /nfs/dbraw/zinc/00/32/08/845003208.db2.gz VOUMVTNCXPMBRI-MRXNPFEDSA-N 1 2 383.517 3.890 20 30 GHEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000411141851 845003220 /nfs/dbraw/zinc/00/32/20/845003220.db2.gz VOUMVTNCXPMBRI-MRXNPFEDSA-N 1 2 383.517 3.890 20 30 GHEDLO C=CCC(C)(C)C(=O)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000429849818 845131434 /nfs/dbraw/zinc/13/14/34/845131434.db2.gz LKEIJLULGFCTNN-UHFFFAOYSA-N 1 2 396.510 3.766 20 30 GHEDLO C#CC[C@H](NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000279975732 845136070 /nfs/dbraw/zinc/13/60/70/845136070.db2.gz JJHCRHCBYRHYIT-NRFANRHFSA-N 1 2 376.504 3.873 20 30 GHEDLO C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000329491246 861536927 /nfs/dbraw/zinc/53/69/27/861536927.db2.gz VLBZCBXTJTYBLW-ZACQAIPSSA-N 1 2 380.492 3.852 20 30 GHEDLO CC(C)Oc1cc(C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C2CC2)ccn1 ZINC000513340156 845245370 /nfs/dbraw/zinc/24/53/70/845245370.db2.gz ZWTWSLBZGFPVJL-UHFFFAOYSA-N 1 2 384.524 3.518 20 30 GHEDLO CC(C)Oc1cc(C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C2CC2)ccn1 ZINC000513340156 845245377 /nfs/dbraw/zinc/24/53/77/845245377.db2.gz ZWTWSLBZGFPVJL-UHFFFAOYSA-N 1 2 384.524 3.518 20 30 GHEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000429872521 845612749 /nfs/dbraw/zinc/61/27/49/845612749.db2.gz ORCWWUXFCXCAHX-UHFFFAOYSA-N 1 2 394.519 3.668 20 30 GHEDLO N#Cc1ccc2ncc(C[NH2+][C@@H](C(=O)Nc3ccccc3)c3ccccc3)n2c1 ZINC000551803162 846528289 /nfs/dbraw/zinc/52/82/89/846528289.db2.gz KEFDSICKUAFCOJ-JOCHJYFZSA-N 1 2 381.439 3.676 20 30 GHEDLO COCCCn1c(C)cc(C(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c1C ZINC000176321149 847014441 /nfs/dbraw/zinc/01/44/41/847014441.db2.gz CCQGJLHGUPKYKV-UHFFFAOYSA-N 1 2 379.504 3.860 20 30 GHEDLO COCCCn1c(C)cc(C(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1C ZINC000176321149 847014450 /nfs/dbraw/zinc/01/44/50/847014450.db2.gz CCQGJLHGUPKYKV-UHFFFAOYSA-N 1 2 379.504 3.860 20 30 GHEDLO N#Cc1ccccc1Oc1ccccc1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000183511953 847702604 /nfs/dbraw/zinc/70/26/04/847702604.db2.gz BNICDDSPOHVALS-GOSISDBHSA-N 1 2 384.439 3.754 20 30 GHEDLO C[N@H+](CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)Cc1ccc(C#N)cc1 ZINC000046528743 848361574 /nfs/dbraw/zinc/36/15/74/848361574.db2.gz DGKDVKHYFLKTST-UHFFFAOYSA-N 1 2 377.444 3.670 20 30 GHEDLO C[N@@H+](CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)Cc1ccc(C#N)cc1 ZINC000046528743 848361585 /nfs/dbraw/zinc/36/15/85/848361585.db2.gz DGKDVKHYFLKTST-UHFFFAOYSA-N 1 2 377.444 3.670 20 30 GHEDLO N#Cc1cc(NC[C@@H](c2ccc(Cl)cc2)[N@@H+]2CCc3sccc3C2)ncn1 ZINC000555812775 861902203 /nfs/dbraw/zinc/90/22/03/861902203.db2.gz YZNPYYHRRPCSPC-SFHVURJKSA-N 1 2 395.919 3.697 20 30 GHEDLO N#Cc1cc(NC[C@@H](c2ccc(Cl)cc2)[N@H+]2CCc3sccc3C2)ncn1 ZINC000555812775 861902223 /nfs/dbraw/zinc/90/22/23/861902223.db2.gz YZNPYYHRRPCSPC-SFHVURJKSA-N 1 2 395.919 3.697 20 30 GHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000583130335 849138174 /nfs/dbraw/zinc/13/81/74/849138174.db2.gz LJSFIHHAUCLAJV-LAUBAEHRSA-N 1 2 375.472 3.739 20 30 GHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000583130335 849138181 /nfs/dbraw/zinc/13/81/81/849138181.db2.gz LJSFIHHAUCLAJV-LAUBAEHRSA-N 1 2 375.472 3.739 20 30 GHEDLO Cc1ccsc1-c1nnc(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)o1 ZINC000583200400 849315401 /nfs/dbraw/zinc/31/54/01/849315401.db2.gz PIZLWTWFAXMWNL-ZDUSSCGKSA-N 1 2 381.461 3.610 20 30 GHEDLO Cc1ccsc1-c1nnc(NC(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)o1 ZINC000583200400 849315411 /nfs/dbraw/zinc/31/54/11/849315411.db2.gz PIZLWTWFAXMWNL-ZDUSSCGKSA-N 1 2 381.461 3.610 20 30 GHEDLO C=C(C)[C@H](CC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)OCC ZINC000435328357 850374176 /nfs/dbraw/zinc/37/41/76/850374176.db2.gz QYUYZWBMHZLOQE-IBGZPJMESA-N 1 2 375.900 3.937 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000909293252 850676071 /nfs/dbraw/zinc/67/60/71/850676071.db2.gz ISJCLOOCVNPQGM-KRWDZBQOSA-N 1 2 384.553 3.898 20 30 GHEDLO N#CCc1cccc(C(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)c1 ZINC000436027004 851114287 /nfs/dbraw/zinc/11/42/87/851114287.db2.gz KLZZORDVGSYUFU-UHFFFAOYSA-N 1 2 378.863 3.945 20 30 GHEDLO C=CCC[C@@H](C(=O)NCc1ccccc1C[NH+]1CCOCC1)c1ccccc1 ZINC000187482906 851175909 /nfs/dbraw/zinc/17/59/09/851175909.db2.gz ODIPNGSYAYNIAG-HSZRJFAPSA-N 1 2 378.516 3.885 20 30 GHEDLO C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O ZINC000515647400 851306214 /nfs/dbraw/zinc/30/62/14/851306214.db2.gz MKBFXSTWTFXLAO-MRXNPFEDSA-N 1 2 388.254 3.629 20 30 GHEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O ZINC000515647400 851306218 /nfs/dbraw/zinc/30/62/18/851306218.db2.gz MKBFXSTWTFXLAO-MRXNPFEDSA-N 1 2 388.254 3.629 20 30 GHEDLO CC(C)(C)c1nnc(NC(=O)C[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)s1 ZINC000329771706 862312461 /nfs/dbraw/zinc/31/24/61/862312461.db2.gz GXRHKMPHZCTSEY-OAHLLOKOSA-N 1 2 385.537 3.561 20 30 GHEDLO CC(C)(C)c1nnc(NC(=O)C[N@H+]2CCCN3c4ccccc4C[C@@H]3C2)s1 ZINC000329771706 862312474 /nfs/dbraw/zinc/31/24/74/862312474.db2.gz GXRHKMPHZCTSEY-OAHLLOKOSA-N 1 2 385.537 3.561 20 30 GHEDLO C=CCCc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000505873137 852259700 /nfs/dbraw/zinc/25/97/00/852259700.db2.gz VWGGFOBNCFPXEC-FQEVSTJZSA-N 1 2 399.922 3.816 20 30 GHEDLO CC[C@@H](C)Oc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000426065745 852587231 /nfs/dbraw/zinc/58/72/31/852587231.db2.gz DCIPNHVDBNJAJT-GOSISDBHSA-N 1 2 377.488 3.694 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@@H](CC#N)c2ccccc2)[C@@H](C)C1 ZINC001270152923 852600892 /nfs/dbraw/zinc/60/08/92/852600892.db2.gz BVNWSEROVDCEKT-UGKGYDQZSA-N 1 2 391.515 3.815 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@@H](CC#N)c2ccccc2)[C@@H](C)C1 ZINC001270152923 852600897 /nfs/dbraw/zinc/60/08/97/852600897.db2.gz BVNWSEROVDCEKT-UGKGYDQZSA-N 1 2 391.515 3.815 20 30 GHEDLO C=C[C@H]1CCCCN1C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000426192907 852989997 /nfs/dbraw/zinc/98/99/97/852989997.db2.gz RWQYYQQEZNYNPG-INIZCTEOSA-N 1 2 391.313 3.698 20 30 GHEDLO N#CCn1c(=O)c2ccccc2nc1C[NH+]1CCC(c2ccc(F)c(F)c2)CC1 ZINC000729476673 853233384 /nfs/dbraw/zinc/23/33/84/853233384.db2.gz AZZMWELHGOFMCR-UHFFFAOYSA-N 1 2 394.425 3.578 20 30 GHEDLO CC(C)C(=O)N1CCC(C(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)CC1 ZINC000329972398 862469622 /nfs/dbraw/zinc/46/96/22/862469622.db2.gz ZAAQVCGFTHSRND-IRXDYDNUSA-N 1 2 395.544 3.512 20 30 GHEDLO CC(C)C(=O)N1CCC(C(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)CC1 ZINC000329972398 862469630 /nfs/dbraw/zinc/46/96/30/862469630.db2.gz ZAAQVCGFTHSRND-IRXDYDNUSA-N 1 2 395.544 3.512 20 30 GHEDLO CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000329973477 862470822 /nfs/dbraw/zinc/47/08/22/862470822.db2.gz YQRIZLFWCZHJJS-MJGOQNOKSA-N 1 2 387.524 3.747 20 30 GHEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@@H]2Cc2c(F)cccc2Cl)c1 ZINC000519904029 853614450 /nfs/dbraw/zinc/61/44/50/853614450.db2.gz OIEUVZLAYVGHFS-QGZVFWFLSA-N 1 2 385.870 3.674 20 30 GHEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H]2Cc2c(F)cccc2Cl)c1 ZINC000519904029 853614455 /nfs/dbraw/zinc/61/44/55/853614455.db2.gz OIEUVZLAYVGHFS-QGZVFWFLSA-N 1 2 385.870 3.674 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCC[C@H]3C(F)(F)F)CC2)cc1 ZINC000044879177 853884531 /nfs/dbraw/zinc/88/45/31/853884531.db2.gz WZSARMJEJXXGEV-QZTJIDSGSA-N 1 2 379.426 3.571 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCC[C@@H]3C(F)(F)F)CC2)cc1 ZINC000044879171 853884678 /nfs/dbraw/zinc/88/46/78/853884678.db2.gz WZSARMJEJXXGEV-MSOLQXFVSA-N 1 2 379.426 3.571 20 30 GHEDLO COc1cc2c(c(OC)c1OC)CC[N@H+](CC#Cc1ccccc1Cl)CC2 ZINC000441171234 853992474 /nfs/dbraw/zinc/99/24/74/853992474.db2.gz UNJCYMWMISVDEA-UHFFFAOYSA-N 1 2 385.891 3.818 20 30 GHEDLO COc1cc2c(c(OC)c1OC)CC[N@@H+](CC#Cc1ccccc1Cl)CC2 ZINC000441171234 853992482 /nfs/dbraw/zinc/99/24/82/853992482.db2.gz UNJCYMWMISVDEA-UHFFFAOYSA-N 1 2 385.891 3.818 20 30 GHEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC([O-])=[NH+][C@H]1CCOc3c(F)cccc31)C2 ZINC000328601599 854501138 /nfs/dbraw/zinc/50/11/38/854501138.db2.gz FTHMKVUCCAXZNP-CJNGLKHVSA-N 1 2 386.471 3.662 20 30 GHEDLO O=C(C[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1)NC1CCCCCC1 ZINC000328758342 854530644 /nfs/dbraw/zinc/53/06/44/854530644.db2.gz VVMHDFPCOYZORN-SFHVURJKSA-N 1 2 376.476 3.905 20 30 GHEDLO O=C(C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1)NC1CCCCCC1 ZINC000328758342 854530652 /nfs/dbraw/zinc/53/06/52/854530652.db2.gz VVMHDFPCOYZORN-SFHVURJKSA-N 1 2 376.476 3.905 20 30 GHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000330453835 854671822 /nfs/dbraw/zinc/67/18/22/854671822.db2.gz CBIZESNVFSRLIZ-FUHWJXTLSA-N 1 2 378.314 3.640 20 30 GHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000330453835 854671828 /nfs/dbraw/zinc/67/18/28/854671828.db2.gz CBIZESNVFSRLIZ-FUHWJXTLSA-N 1 2 378.314 3.640 20 30 GHEDLO COc1ccc(-c2cc(C[NH+]3CCN(Cc4ccc(C#N)cc4)CC3)on2)cc1 ZINC000589215287 854753323 /nfs/dbraw/zinc/75/33/23/854753323.db2.gz PAWZTFZIJGBGIR-UHFFFAOYSA-N 1 2 388.471 3.540 20 30 GHEDLO COc1ccc(-c2cc(CN3CC[NH+](Cc4ccc(C#N)cc4)CC3)on2)cc1 ZINC000589215287 854753331 /nfs/dbraw/zinc/75/33/31/854753331.db2.gz PAWZTFZIJGBGIR-UHFFFAOYSA-N 1 2 388.471 3.540 20 30 GHEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)CCO1 ZINC000331198322 854824442 /nfs/dbraw/zinc/82/44/42/854824442.db2.gz OMYSEFHPVHJHGN-XBFCOCLRSA-N 1 2 376.423 3.511 20 30 GHEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)Cc2nc(C#N)cs2)cc1 ZINC000589518199 854974952 /nfs/dbraw/zinc/97/49/52/854974952.db2.gz DDHNMZYUFYINNX-UHFFFAOYSA-N 1 2 381.505 3.702 20 30 GHEDLO Cc1ccc(-c2csc(NC(=O)C[N@@H+]3CCS[C@H]4COCC[C@@H]43)n2)cc1 ZINC000330172957 862634078 /nfs/dbraw/zinc/63/40/78/862634078.db2.gz GXQCXQHLGQKSQK-IRXDYDNUSA-N 1 2 389.546 3.913 20 30 GHEDLO Cc1ccc(-c2csc(NC(=O)C[N@H+]3CCS[C@H]4COCC[C@@H]43)n2)cc1 ZINC000330172957 862634091 /nfs/dbraw/zinc/63/40/91/862634091.db2.gz GXQCXQHLGQKSQK-IRXDYDNUSA-N 1 2 389.546 3.913 20 30 GHEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000054538788 855165460 /nfs/dbraw/zinc/16/54/60/855165460.db2.gz SIGJIZRKJQDTFJ-UHFFFAOYSA-N 1 2 389.459 3.912 20 30 GHEDLO N#Cc1cc(C(F)(F)F)ccc1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000301659023 855735553 /nfs/dbraw/zinc/73/55/53/855735553.db2.gz SYEPQCFKSGDGEG-UXHICEINSA-N 1 2 387.405 3.667 20 30 GHEDLO N#Cc1cc(C(F)(F)F)ccc1N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000301659023 855735556 /nfs/dbraw/zinc/73/55/56/855735556.db2.gz SYEPQCFKSGDGEG-UXHICEINSA-N 1 2 387.405 3.667 20 30 GHEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(-c2ccccc2)cc1F ZINC000507782019 855750596 /nfs/dbraw/zinc/75/05/96/855750596.db2.gz BVKJOMHWEIVDRK-KRWDZBQOSA-N 1 2 387.462 3.865 20 30 GHEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(-c2ccccc2)cc1F ZINC000507782019 855750602 /nfs/dbraw/zinc/75/06/02/855750602.db2.gz BVKJOMHWEIVDRK-KRWDZBQOSA-N 1 2 387.462 3.865 20 30 GHEDLO COc1cccc2c(NCCCc3nn(-c4ccccc4)c(N)c3C#N)cc[nH+]c12 ZINC000302722153 855919143 /nfs/dbraw/zinc/91/91/43/855919143.db2.gz HZAJGKFTJWCGMM-UHFFFAOYSA-N 1 2 398.470 3.928 20 30 GHEDLO CCOc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507800377 856047821 /nfs/dbraw/zinc/04/78/21/856047821.db2.gz AKCCHGLMKQGYSO-QGZVFWFLSA-N 1 2 393.487 3.827 20 30 GHEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000591773249 856292741 /nfs/dbraw/zinc/29/27/41/856292741.db2.gz FNEWIYQXXKXIII-KRWDZBQOSA-N 1 2 384.867 3.622 20 30 GHEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000591773249 856292747 /nfs/dbraw/zinc/29/27/47/856292747.db2.gz FNEWIYQXXKXIII-KRWDZBQOSA-N 1 2 384.867 3.622 20 30 GHEDLO C[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1)[N@@H+]1CCc2ccccc2C1 ZINC000760973614 856866177 /nfs/dbraw/zinc/86/61/77/856866177.db2.gz MFXAEHFOKDZKQP-DNVCBOLYSA-N 1 2 388.496 3.828 20 30 GHEDLO C[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1)[N@H+]1CCc2ccccc2C1 ZINC000760973614 856866199 /nfs/dbraw/zinc/86/61/99/856866199.db2.gz MFXAEHFOKDZKQP-DNVCBOLYSA-N 1 2 388.496 3.828 20 30 GHEDLO C=CCOc1ccccc1CNC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000111663913 856973441 /nfs/dbraw/zinc/97/34/41/856973441.db2.gz DUHMBDMLVHPPHF-UHFFFAOYSA-N 1 2 381.501 3.757 20 30 GHEDLO N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000428000962 856996134 /nfs/dbraw/zinc/99/61/34/856996134.db2.gz NIYDNHOXNKFKCN-OAHLLOKOSA-N 1 2 392.846 3.945 20 30 GHEDLO CC1CC[NH+](Cc2csc(NC(=O)CSc3ccccc3C#N)n2)CC1 ZINC000173717982 857101657 /nfs/dbraw/zinc/10/16/57/857101657.db2.gz BZCRQYAWFFIZPL-UHFFFAOYSA-N 1 2 386.546 3.977 20 30 GHEDLO CCn1cc(C[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C(C)C)cn1 ZINC000593079011 857341597 /nfs/dbraw/zinc/34/15/97/857341597.db2.gz BZJCRWABZNNUBU-UHFFFAOYSA-N 1 2 381.524 3.677 20 30 GHEDLO CCn1cc(C[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C(C)C)cn1 ZINC000593079011 857341606 /nfs/dbraw/zinc/34/16/06/857341606.db2.gz BZJCRWABZNNUBU-UHFFFAOYSA-N 1 2 381.524 3.677 20 30 GHEDLO Cc1ccccc1C1(C(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)CCOCC1 ZINC000330338281 862986167 /nfs/dbraw/zinc/98/61/67/862986167.db2.gz VEOWIXAIXJPAQX-XLIONFOSSA-N 1 2 383.492 3.654 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@@]2(C#N)CC23CCCC3)[C@H](C)C1 ZINC001128412666 858265431 /nfs/dbraw/zinc/26/54/31/858265431.db2.gz ZZILGBLVWNYJIR-JPYJTQIMSA-N 1 2 381.520 3.592 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@@]2(C#N)CC23CCCC3)[C@H](C)C1 ZINC001128412666 858265442 /nfs/dbraw/zinc/26/54/42/858265442.db2.gz ZZILGBLVWNYJIR-JPYJTQIMSA-N 1 2 381.520 3.592 20 30 GHEDLO N#CC[C@@H]1CCCN(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000595499892 858545983 /nfs/dbraw/zinc/54/59/83/858545983.db2.gz ONBKFZCVHDUOME-MAUKXSAKSA-N 1 2 392.906 3.779 20 30 GHEDLO N#CC[C@@H]1CCCN(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000595499892 858545987 /nfs/dbraw/zinc/54/59/87/858545987.db2.gz ONBKFZCVHDUOME-MAUKXSAKSA-N 1 2 392.906 3.779 20 30 GHEDLO COc1cccc([C@]2(C)CC[N@@H+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)c1 ZINC000595763485 858663173 /nfs/dbraw/zinc/66/31/73/858663173.db2.gz FIKJOWIEZLOFMD-OYHNWAKOSA-N 1 2 381.476 3.767 20 30 GHEDLO COc1cccc([C@]2(C)CC[N@H+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)c1 ZINC000595763485 858663178 /nfs/dbraw/zinc/66/31/78/858663178.db2.gz FIKJOWIEZLOFMD-OYHNWAKOSA-N 1 2 381.476 3.767 20 30 GHEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCc2cc(C#N)ccc2F)C[C@@H](C)O1 ZINC000466195643 858679051 /nfs/dbraw/zinc/67/90/51/858679051.db2.gz OFDKKHOAMMQFOZ-HZPDHXFCSA-N 1 2 396.466 3.628 20 30 GHEDLO N#CCCN(C(=O)C[NH2+][C@@H](CO)c1cccc(Cl)c1Cl)c1ccccc1 ZINC000595828883 858701449 /nfs/dbraw/zinc/70/14/49/858701449.db2.gz MGWDEVRVMLAZRX-KRWDZBQOSA-N 1 2 392.286 3.563 20 30 GHEDLO COc1ccc(C#N)cc1C[NH+]1CC(C)(c2nnc(-c3cccc(F)c3)o2)C1 ZINC000596605989 858963391 /nfs/dbraw/zinc/96/33/91/858963391.db2.gz RREIXNYRVPQYPU-UHFFFAOYSA-N 1 2 378.407 3.529 20 30 GHEDLO NC(=NOCc1ccc(Cl)c(Cl)c1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000060336713 859105900 /nfs/dbraw/zinc/10/59/00/859105900.db2.gz DEQOBTJBAMUHBJ-UHFFFAOYSA-N 1 2 394.302 3.663 20 30 GHEDLO Cc1ccc(-c2noc([C@@H](C)[NH2+]Cc3cnc4ccc(C#N)cn34)n2)cc1F ZINC000483666870 859522039 /nfs/dbraw/zinc/52/20/39/859522039.db2.gz IMGGPHWKPYUIJD-CYBMUJFWSA-N 1 2 376.395 3.554 20 30 GHEDLO C=C[C@](C)(CCOC)C(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000474189001 859568559 /nfs/dbraw/zinc/56/85/59/859568559.db2.gz JUSFTOQFZCMUPH-ILZDJORESA-N 1 2 384.442 3.584 20 30 GHEDLO C=C[C@](C)(CCOC)C(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000474189001 859568570 /nfs/dbraw/zinc/56/85/70/859568570.db2.gz JUSFTOQFZCMUPH-ILZDJORESA-N 1 2 384.442 3.584 20 30 GHEDLO N#Cc1c2c(n(-c3ccccc3)c1NC(=O)C[N@H+]1CC[C@H](C(F)F)C1)CCCC2 ZINC000611179358 859634407 /nfs/dbraw/zinc/63/44/07/859634407.db2.gz BNSINGYJQVVIGV-HNNXBMFYSA-N 1 2 398.457 3.753 20 30 GHEDLO N#Cc1c2c(n(-c3ccccc3)c1NC(=O)C[N@@H+]1CC[C@H](C(F)F)C1)CCCC2 ZINC000611179358 859634409 /nfs/dbraw/zinc/63/44/09/859634409.db2.gz BNSINGYJQVVIGV-HNNXBMFYSA-N 1 2 398.457 3.753 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCc2cc(C)ccc2C1 ZINC000483982314 859740400 /nfs/dbraw/zinc/74/04/00/859740400.db2.gz GZBKXUYXJGJDJS-SFHVURJKSA-N 1 2 377.488 3.697 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCc2cc(C)ccc2C1 ZINC000483982314 859740405 /nfs/dbraw/zinc/74/04/05/859740405.db2.gz GZBKXUYXJGJDJS-SFHVURJKSA-N 1 2 377.488 3.697 20 30 GHEDLO N#C[C@@H](NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000602095807 859771175 /nfs/dbraw/zinc/77/11/75/859771175.db2.gz GGWNSNWQFZDJFF-CHWSQXEVSA-N 1 2 390.287 3.776 20 30 GHEDLO CC1(C)CN(Cc2ccc(C#N)c(F)c2)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000484093899 859801360 /nfs/dbraw/zinc/80/13/60/859801360.db2.gz KVHDCWLLMQAXAT-UHFFFAOYSA-N 1 2 380.442 3.805 20 30 GHEDLO CC1(C)CN(Cc2ccc(C#N)c(F)c2)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000484093899 859801372 /nfs/dbraw/zinc/80/13/72/859801372.db2.gz KVHDCWLLMQAXAT-UHFFFAOYSA-N 1 2 380.442 3.805 20 30 GHEDLO C/C(=C\C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1Cl ZINC000727366974 860065550 /nfs/dbraw/zinc/06/55/50/860065550.db2.gz WIDFOWUOMJXFRV-SAPNQHFASA-N 1 2 379.891 3.959 20 30 GHEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000092568001 860078370 /nfs/dbraw/zinc/07/83/70/860078370.db2.gz LCSTZGDLVMNGCQ-UHFFFAOYSA-N 1 2 391.374 3.716 20 30 GHEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000092568001 860078378 /nfs/dbraw/zinc/07/83/78/860078378.db2.gz LCSTZGDLVMNGCQ-UHFFFAOYSA-N 1 2 391.374 3.716 20 30 GHEDLO C[C@H](NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000729552323 860250255 /nfs/dbraw/zinc/25/02/55/860250255.db2.gz DDEPKLYGJWQFJB-NPPFBWRTSA-N 1 2 392.503 3.573 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](CO)c1cccc(Cl)c1F ZINC000499951866 860285283 /nfs/dbraw/zinc/28/52/83/860285283.db2.gz SRFOMCQNMDZDKL-GUYCJALGSA-N 1 2 396.915 3.767 20 30 GHEDLO CCOC(=O)c1nc2c(o1)CC[N@@H+](C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170396331 881526783 /nfs/dbraw/zinc/52/67/83/881526783.db2.gz YKJRSTWFQMQCIN-UHFFFAOYSA-N 1 2 379.460 3.614 20 30 GHEDLO CCOC(=O)c1nc2c(o1)CC[N@H+](C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170396331 881526880 /nfs/dbraw/zinc/52/68/80/881526880.db2.gz YKJRSTWFQMQCIN-UHFFFAOYSA-N 1 2 379.460 3.614 20 30 GHEDLO CC1(C(=O)OCc2ccc(N)[nH+]c2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000922730653 860534952 /nfs/dbraw/zinc/53/49/52/860534952.db2.gz MFUNABDRHSXZRW-UHFFFAOYSA-N 1 2 384.867 3.539 20 30 GHEDLO Cc1noc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3nc4ccc(F)cc4s3)C2)n1 ZINC000329022843 860953522 /nfs/dbraw/zinc/95/35/22/860953522.db2.gz IMXYPRYXIQSTIR-GXSJLCMTSA-N 1 2 375.429 3.593 20 30 GHEDLO Cc1noc([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3nc4ccc(F)cc4s3)C2)n1 ZINC000329022843 860953531 /nfs/dbraw/zinc/95/35/31/860953531.db2.gz IMXYPRYXIQSTIR-GXSJLCMTSA-N 1 2 375.429 3.593 20 30 GHEDLO COCc1ccccc1/C=C(/C)C[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000509098704 861034181 /nfs/dbraw/zinc/03/41/81/861034181.db2.gz VCXHVXYWBDKGCO-OVZBEQQUSA-N 1 2 387.483 3.582 20 30 GHEDLO COCc1ccccc1/C=C(/C)C[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000509098704 861034200 /nfs/dbraw/zinc/03/42/00/861034200.db2.gz VCXHVXYWBDKGCO-OVZBEQQUSA-N 1 2 387.483 3.582 20 30 GHEDLO C#CCOc1ccc([C@@H](C)OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000730426258 861106468 /nfs/dbraw/zinc/10/64/68/861106468.db2.gz USSDTFUAOLLTKU-OAHLLOKOSA-N 1 2 391.383 3.711 20 30 GHEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC000111278875 861148950 /nfs/dbraw/zinc/14/89/50/861148950.db2.gz OHFSNJDFXURFPK-HNNXBMFYSA-N 1 2 396.466 3.519 20 30 GHEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC000111278875 861148953 /nfs/dbraw/zinc/14/89/53/861148953.db2.gz OHFSNJDFXURFPK-HNNXBMFYSA-N 1 2 396.466 3.519 20 30 GHEDLO C=C(C)COc1cc(C[N@H+](CC)Cc2nc3ccccc3c(=O)[nH]2)ccc1OC ZINC000159917579 863169123 /nfs/dbraw/zinc/16/91/23/863169123.db2.gz DJLHBCRIKADOKI-UHFFFAOYSA-N 1 2 393.487 3.909 20 30 GHEDLO C=C(C)COc1cc(C[N@@H+](CC)Cc2nc3ccccc3c(=O)[nH]2)ccc1OC ZINC000159917579 863169128 /nfs/dbraw/zinc/16/91/28/863169128.db2.gz DJLHBCRIKADOKI-UHFFFAOYSA-N 1 2 393.487 3.909 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)c1C ZINC000103469859 863997727 /nfs/dbraw/zinc/99/77/27/863997727.db2.gz VFOJWEJCBZSHOP-UHFFFAOYSA-N 1 2 394.519 3.760 20 30 GHEDLO CC(C)COC[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccco1 ZINC000184165638 864152631 /nfs/dbraw/zinc/15/26/31/864152631.db2.gz LIUMNVLTMWKXIW-PMACEKPBSA-N 1 2 381.476 3.650 20 30 GHEDLO C=CC[C@H](NC(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1)c1ccncc1 ZINC000734682385 864380858 /nfs/dbraw/zinc/38/08/58/864380858.db2.gz COBVBUPIFBOWSJ-AVRDEDQJSA-N 1 2 394.519 3.796 20 30 GHEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCO[C@H](c3ccccc3)C1)CCC2 ZINC000025949105 864837426 /nfs/dbraw/zinc/83/74/26/864837426.db2.gz HKQXGCYIUFEZLS-SFHVURJKSA-N 1 2 381.501 3.511 20 30 GHEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCO[C@H](c3ccccc3)C1)CCC2 ZINC000025949105 864837438 /nfs/dbraw/zinc/83/74/38/864837438.db2.gz HKQXGCYIUFEZLS-SFHVURJKSA-N 1 2 381.501 3.511 20 30 GHEDLO COC[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)c1ccc(C)o1 ZINC000184762526 864919549 /nfs/dbraw/zinc/91/95/49/864919549.db2.gz WSSVLVSWOZXPNT-GOSISDBHSA-N 1 2 389.883 3.774 20 30 GHEDLO N#CC1(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)CCC1 ZINC000609854476 865091549 /nfs/dbraw/zinc/09/15/49/865091549.db2.gz FGOPBWGCWVDXOZ-UHFFFAOYSA-N 1 2 383.492 3.892 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)N2Cc3ccc(C#N)cc3C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000594234337 865500605 /nfs/dbraw/zinc/50/06/05/865500605.db2.gz VWEORDNCCGRQNB-UXHICEINSA-N 1 2 398.869 3.821 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)N2Cc3ccc(C#N)cc3C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000594234337 865500616 /nfs/dbraw/zinc/50/06/16/865500616.db2.gz VWEORDNCCGRQNB-UXHICEINSA-N 1 2 398.869 3.821 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)cc1 ZINC000738319903 865530040 /nfs/dbraw/zinc/53/00/40/865530040.db2.gz MENPEOAIWGHEHX-AEFFLSMTSA-N 1 2 397.441 3.674 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC[C@H](OCC(F)(F)F)C2)cc1 ZINC000738319903 865530044 /nfs/dbraw/zinc/53/00/44/865530044.db2.gz MENPEOAIWGHEHX-AEFFLSMTSA-N 1 2 397.441 3.674 20 30 GHEDLO CCc1ccc(C[NH+]2CCN(C(=O)Nc3cccc(OCC#N)c3)CC2)s1 ZINC000738897798 865638600 /nfs/dbraw/zinc/63/86/00/865638600.db2.gz AVDGAHVYQRJWNR-UHFFFAOYSA-N 1 2 384.505 3.563 20 30 GHEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000594288327 865714665 /nfs/dbraw/zinc/71/46/65/865714665.db2.gz UCLBGQPIQHOSSV-QFBILLFUSA-N 1 2 397.469 3.796 20 30 GHEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000594288327 865714669 /nfs/dbraw/zinc/71/46/69/865714669.db2.gz UCLBGQPIQHOSSV-QFBILLFUSA-N 1 2 397.469 3.796 20 30 GHEDLO N#Cc1ccnc(N2CCN(c3cc[nH+]c4c(Br)cccc34)CC2)c1 ZINC000608830418 865764073 /nfs/dbraw/zinc/76/40/73/865764073.db2.gz AIBXLSUVBLFUOV-UHFFFAOYSA-N 1 2 394.276 3.591 20 30 GHEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Br)[C@@H](CC)CN1C(C)=O ZINC000481148010 865888233 /nfs/dbraw/zinc/88/82/33/865888233.db2.gz WBDHMGXLAGRZCF-DLBZAZTESA-N 1 2 378.314 3.542 20 30 GHEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Br)[C@@H](CC)CN1C(C)=O ZINC000481148010 865888245 /nfs/dbraw/zinc/88/82/45/865888245.db2.gz WBDHMGXLAGRZCF-DLBZAZTESA-N 1 2 378.314 3.542 20 30 GHEDLO CCC[C@@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)cc3OC)c2C1 ZINC000186584476 866228586 /nfs/dbraw/zinc/22/85/86/866228586.db2.gz WRYCZNSXMIYVRG-OAHLLOKOSA-N 1 2 399.516 3.872 20 30 GHEDLO CCC[C@@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)cc3OC)c2C1 ZINC000186584476 866228600 /nfs/dbraw/zinc/22/86/00/866228600.db2.gz WRYCZNSXMIYVRG-OAHLLOKOSA-N 1 2 399.516 3.872 20 30 GHEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)N(C)CC(=O)Nc1ccccc1CC ZINC000552836847 866326921 /nfs/dbraw/zinc/32/69/21/866326921.db2.gz XODDZZCYSPLECV-KRWDZBQOSA-N 1 2 399.560 3.784 20 30 GHEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)N(C)CC(=O)Nc1ccccc1CC ZINC000552836847 866326942 /nfs/dbraw/zinc/32/69/42/866326942.db2.gz XODDZZCYSPLECV-KRWDZBQOSA-N 1 2 399.560 3.784 20 30 GHEDLO N#Cc1ccc(OCCC[NH+]2CCN(C(=O)c3cc4occc4s3)CC2)cc1 ZINC000741257757 866358491 /nfs/dbraw/zinc/35/84/91/866358491.db2.gz XLFFBISSBPGTID-UHFFFAOYSA-N 1 2 395.484 3.593 20 30 GHEDLO N#Cc1ccccc1N1CC[NH+](Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000523126020 866675436 /nfs/dbraw/zinc/67/54/36/866675436.db2.gz IDOVLIUZSZYGSA-UHFFFAOYSA-N 1 2 383.879 3.695 20 30 GHEDLO C=CCn1c2nn(C[N@@H+]3C[C@H](C)CCC[C@@H]3C)c(=S)n2c2ccccc2c1=O ZINC000742154161 867108708 /nfs/dbraw/zinc/10/87/08/867108708.db2.gz DSNHFZDUIMNMKP-CVEARBPZSA-N 1 2 397.548 3.834 20 30 GHEDLO C=CCn1c2nn(C[N@H+]3C[C@H](C)CCC[C@@H]3C)c(=S)n2c2ccccc2c1=O ZINC000742154161 867108713 /nfs/dbraw/zinc/10/87/13/867108713.db2.gz DSNHFZDUIMNMKP-CVEARBPZSA-N 1 2 397.548 3.834 20 30 GHEDLO C=CC[C@@H]1[N@H+](Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[nH]2)CCCC1(C)C ZINC000444777142 867220350 /nfs/dbraw/zinc/22/03/50/867220350.db2.gz DSVDMEJDAILXBY-ZDUSSCGKSA-N 1 2 389.521 3.646 20 30 GHEDLO C=CC[C@@H]1[N@@H+](Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[nH]2)CCCC1(C)C ZINC000444777142 867220362 /nfs/dbraw/zinc/22/03/62/867220362.db2.gz DSVDMEJDAILXBY-ZDUSSCGKSA-N 1 2 389.521 3.646 20 30 GHEDLO N#Cc1ccc(CSc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2)nc1 ZINC000566922815 867718149 /nfs/dbraw/zinc/71/81/49/867718149.db2.gz ANFANHSHHPXUNG-UHFFFAOYSA-N 1 2 390.516 3.812 20 30 GHEDLO N#Cc1ccccc1Oc1ccc(C(=O)N2CC(n3cc[nH+]c3)C2)cc1Cl ZINC000534915834 867720663 /nfs/dbraw/zinc/72/06/63/867720663.db2.gz YJWZQXGMSMSEHW-UHFFFAOYSA-N 1 2 378.819 3.898 20 30 GHEDLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000535275180 868507287 /nfs/dbraw/zinc/50/72/87/868507287.db2.gz KVUMHJORZQNFJF-HXUWFJFHSA-N 1 2 387.439 3.647 20 30 GHEDLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000535275180 868507299 /nfs/dbraw/zinc/50/72/99/868507299.db2.gz KVUMHJORZQNFJF-HXUWFJFHSA-N 1 2 387.439 3.647 20 30 GHEDLO CC[N@H+](C)[C@H](C(=O)O[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1ccccc1 ZINC000745099617 869288203 /nfs/dbraw/zinc/28/82/03/869288203.db2.gz YIKSYYDEBGTZNB-CYMONXJESA-N 1 2 399.535 3.542 20 30 GHEDLO CC[N@@H+](C)[C@H](C(=O)O[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1ccccc1 ZINC000745099617 869288210 /nfs/dbraw/zinc/28/82/10/869288210.db2.gz YIKSYYDEBGTZNB-CYMONXJESA-N 1 2 399.535 3.542 20 30 GHEDLO C[C@H](C(=O)N1CCC2(C[C@H]2[N@H+](C)Cc2nccs2)CC1)c1cccc(C#N)c1 ZINC000462559572 869652044 /nfs/dbraw/zinc/65/20/44/869652044.db2.gz YMISZHXDAZCJJW-QFBILLFUSA-N 1 2 394.544 3.631 20 30 GHEDLO C[C@H](C(=O)N1CCC2(C[C@H]2[N@@H+](C)Cc2nccs2)CC1)c1cccc(C#N)c1 ZINC000462559572 869652048 /nfs/dbraw/zinc/65/20/48/869652048.db2.gz YMISZHXDAZCJJW-QFBILLFUSA-N 1 2 394.544 3.631 20 30 GHEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cnc(C2CCCCC2)s1 ZINC000539908884 870005681 /nfs/dbraw/zinc/00/56/81/870005681.db2.gz SBSSOJFUDZBELM-HNNXBMFYSA-N 1 2 382.537 3.563 20 30 GHEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cnc(C2CCCCC2)s1 ZINC000539908884 870005692 /nfs/dbraw/zinc/00/56/92/870005692.db2.gz SBSSOJFUDZBELM-HNNXBMFYSA-N 1 2 382.537 3.563 20 30 GHEDLO Cc1cc(S(=O)(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)ccc1C#N ZINC000446792136 870371248 /nfs/dbraw/zinc/37/12/48/870371248.db2.gz XCPCYDPOHINDRL-UHFFFAOYSA-N 1 2 380.473 3.744 20 30 GHEDLO NC(=[NH+]OCC(=O)NCCC(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000022348958 870504370 /nfs/dbraw/zinc/50/43/70/870504370.db2.gz MNVVEGXUJVYCKR-UHFFFAOYSA-N 1 2 387.483 3.662 20 30 GHEDLO C#CCOCC[N@@H+](C)CC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC001193021901 870849555 /nfs/dbraw/zinc/84/95/55/870849555.db2.gz LQSSYNSZMVGIHF-UHFFFAOYSA-N 1 2 398.315 3.637 20 30 GHEDLO C#CCOCC[N@H+](C)CC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC001193021901 870849566 /nfs/dbraw/zinc/84/95/66/870849566.db2.gz LQSSYNSZMVGIHF-UHFFFAOYSA-N 1 2 398.315 3.637 20 30 GHEDLO CC(C)N(C(=O)[C@H](C)[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1)C(C)C ZINC000471003055 870958564 /nfs/dbraw/zinc/95/85/64/870958564.db2.gz CPYADXJKPBWMLI-PXNSSMCTSA-N 1 2 390.959 3.556 20 30 GHEDLO C=CC[N@H+](Cc1ccc(OC(C)=O)cc1)[C@H](Cc1ccccc1)C(=O)OCC ZINC001169292526 871376811 /nfs/dbraw/zinc/37/68/11/871376811.db2.gz MCZQYXBOARIXKZ-JOCHJYFZSA-N 1 2 381.472 3.774 20 30 GHEDLO C=CC[N@@H+](Cc1ccc(OC(C)=O)cc1)[C@H](Cc1ccccc1)C(=O)OCC ZINC001169292526 871376828 /nfs/dbraw/zinc/37/68/28/871376828.db2.gz MCZQYXBOARIXKZ-JOCHJYFZSA-N 1 2 381.472 3.774 20 30 GHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCN(c2cccc3cnccc32)C[C@@H]1C ZINC000447384889 871513849 /nfs/dbraw/zinc/51/38/49/871513849.db2.gz NLRGSPORPSLKLZ-ROUUACIJSA-N 1 2 399.498 3.644 20 30 GHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCN(c2cccc3cnccc32)C[C@@H]1C ZINC000447384889 871513856 /nfs/dbraw/zinc/51/38/56/871513856.db2.gz NLRGSPORPSLKLZ-ROUUACIJSA-N 1 2 399.498 3.644 20 30 GHEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000462033315 871514099 /nfs/dbraw/zinc/51/40/99/871514099.db2.gz VWCBLDJSPQRONC-MSOLQXFVSA-N 1 2 377.488 3.576 20 30 GHEDLO C[C@H]([NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1)c1cccc(C#N)c1 ZINC000182011396 871711955 /nfs/dbraw/zinc/71/19/55/871711955.db2.gz VLHSZUYMAKYNMN-LBPRGKRZSA-N 1 2 382.265 3.957 20 30 GHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@H](n3cccn3)C2)c1C#N ZINC000463447905 871770901 /nfs/dbraw/zinc/77/09/01/871770901.db2.gz KCYPVXHNZXYQFB-IBGZPJMESA-N 1 2 394.523 3.564 20 30 GHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CC[C@H](n3cccn3)C2)c1C#N ZINC000463447905 871770911 /nfs/dbraw/zinc/77/09/11/871770911.db2.gz KCYPVXHNZXYQFB-IBGZPJMESA-N 1 2 394.523 3.564 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2cncc(C#N)c2)C[C@H]1c1cccc(F)c1 ZINC001195104957 872201447 /nfs/dbraw/zinc/20/14/47/872201447.db2.gz ZVPICSAVFANMGB-VQTJNVASSA-N 1 2 396.466 3.585 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2cncc(C#N)c2)C[C@H]1c1cccc(F)c1 ZINC001195104957 872201461 /nfs/dbraw/zinc/20/14/61/872201461.db2.gz ZVPICSAVFANMGB-VQTJNVASSA-N 1 2 396.466 3.585 20 30 GHEDLO COc1cccc([C@H]([NH2+]CC(=O)NC2(C#N)CCC2)c2ccccc2Cl)c1 ZINC000527367648 873063830 /nfs/dbraw/zinc/06/38/30/873063830.db2.gz YALKLNNIYLAEAF-FQEVSTJZSA-N 1 2 383.879 3.590 20 30 GHEDLO CS(=O)(=O)c1cccc([C@H]([NH2+]Cc2cccc(C#N)c2F)c2ccccc2)c1 ZINC000541294420 873297022 /nfs/dbraw/zinc/29/70/22/873297022.db2.gz ALCDFICEVAMNTM-JOCHJYFZSA-N 1 2 394.471 3.980 20 30 GHEDLO C=CC[NH+]1CCN(C(=O)c2cccc([C@H]3CCCN3C(=O)OC(C)(C)C)c2)CC1 ZINC001196699202 873308709 /nfs/dbraw/zinc/30/87/09/873308709.db2.gz UCRSHYFBFDLRSB-HXUWFJFHSA-N 1 2 399.535 3.702 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[NH+]1CCC(C(C)(C)O)CC1 ZINC001197012808 873529863 /nfs/dbraw/zinc/52/98/63/873529863.db2.gz IGNNAOLGGUVMIY-CQSZACIVSA-N 1 2 389.565 3.699 20 30 GHEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)c1C#N ZINC000858028447 882752853 /nfs/dbraw/zinc/75/28/53/882752853.db2.gz HOCBEOBPZFKUNJ-LJQANCHMSA-N 1 2 391.471 3.661 20 30 GHEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)c1C#N ZINC000858028447 882752863 /nfs/dbraw/zinc/75/28/63/882752863.db2.gz HOCBEOBPZFKUNJ-LJQANCHMSA-N 1 2 391.471 3.661 20 30 GHEDLO C#C[C@H]([NH2+][C@@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1)[C@H]1CCCO1 ZINC000775789478 874062636 /nfs/dbraw/zinc/06/26/36/874062636.db2.gz CXDSUPKGXSBNMW-CEWLAPEOSA-N 1 2 398.890 3.799 20 30 GHEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)c1cc(C#N)[nH]c1C ZINC000448914008 874199881 /nfs/dbraw/zinc/19/98/81/874199881.db2.gz WXFLAXCSGOZKCX-UHFFFAOYSA-N 1 2 391.475 3.523 20 30 GHEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(c2ccc(N(C)C)cc2)CC1 ZINC000775886911 874578988 /nfs/dbraw/zinc/57/89/88/874578988.db2.gz KFQLFSVMOLMXGX-JOCHJYFZSA-N 1 2 377.488 3.718 20 30 GHEDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2ccccc2SCC#N)CC1 ZINC000770750752 874863610 /nfs/dbraw/zinc/86/36/10/874863610.db2.gz YLDVVKGVFXRRTC-UHFFFAOYSA-N 1 2 395.528 3.577 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(Nc3cccc(C)c3)CC2)c(C#N)c1C ZINC000153068798 874970023 /nfs/dbraw/zinc/97/00/23/874970023.db2.gz JTQCOAGMNYVYDP-MRXNPFEDSA-N 1 2 380.492 3.980 20 30 GHEDLO CCOC(=O)CCOc1ccc(C(=O)/C=C/c2c[nH+]c3ccc(C)cn23)cc1 ZINC000771858250 875520894 /nfs/dbraw/zinc/52/08/94/875520894.db2.gz ITYCMDOVMSMBFE-JXMROGBWSA-N 1 2 378.428 3.871 20 30 GHEDLO CC(C)(C#N)c1ccccc1COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000785675642 876171753 /nfs/dbraw/zinc/17/17/53/876171753.db2.gz KFMOUKUMKKXSGG-UHFFFAOYSA-N 1 2 390.399 3.939 20 30 GHEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492194404 876408192 /nfs/dbraw/zinc/40/81/92/876408192.db2.gz FBRPPRGQUIMQFQ-UHFFFAOYSA-N 1 2 393.495 3.714 20 30 GHEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000109149501 876437247 /nfs/dbraw/zinc/43/72/47/876437247.db2.gz CMOHTZSRBHLUML-HKWRFOASSA-N 1 2 396.560 3.536 20 30 GHEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@H+]1CCCN(c2nccs2)CC1 ZINC000109149501 876437254 /nfs/dbraw/zinc/43/72/54/876437254.db2.gz CMOHTZSRBHLUML-HKWRFOASSA-N 1 2 396.560 3.536 20 30 GHEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000477263062 877309346 /nfs/dbraw/zinc/30/93/46/877309346.db2.gz XFQRCWJTYCBTCX-UHFFFAOYSA-N 1 2 383.373 3.981 20 30 GHEDLO N#Cc1cccc(CC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1 ZINC000530670332 878267235 /nfs/dbraw/zinc/26/72/35/878267235.db2.gz BWFOQKHBODLAOB-IBGZPJMESA-N 1 2 385.870 3.847 20 30 GHEDLO C[C@@H]([NH2+][C@@H](C)c1c(F)cncc1F)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000285612529 912361790 /nfs/dbraw/zinc/36/17/90/912361790.db2.gz JVPCFCFGNCRITL-NTSWFWBYSA-N 1 2 395.278 3.733 20 30 GHEDLO C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789520148 879043065 /nfs/dbraw/zinc/04/30/65/879043065.db2.gz DUBXLBPMCJTXNI-HXUWFJFHSA-N 1 2 386.417 3.790 20 30 GHEDLO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789520148 879043084 /nfs/dbraw/zinc/04/30/84/879043084.db2.gz DUBXLBPMCJTXNI-HXUWFJFHSA-N 1 2 386.417 3.790 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c1=S ZINC000789543403 879063132 /nfs/dbraw/zinc/06/31/32/879063132.db2.gz CCKUUJJCLUYYEK-HXUWFJFHSA-N 1 2 388.512 3.866 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+]2CC[C@@]3(C2)CCCOC3)c1=S ZINC000789543403 879063152 /nfs/dbraw/zinc/06/31/52/879063152.db2.gz CCKUUJJCLUYYEK-HXUWFJFHSA-N 1 2 388.512 3.866 20 30 GHEDLO C#CCCCOc1ccc[nH+]c1NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000853533411 879095531 /nfs/dbraw/zinc/09/55/31/879095531.db2.gz GLOSUYWRFKBUAZ-UHFFFAOYSA-N 1 2 378.881 3.543 20 30 GHEDLO Cc1[nH]c2ccc(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)cc2[nH+]1 ZINC000531675854 880305111 /nfs/dbraw/zinc/30/51/11/880305111.db2.gz CGSDJEREMLAJCO-UHFFFAOYSA-N 1 2 375.432 3.537 20 30 GHEDLO CCC1(CC)CN(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)C(=O)O1 ZINC000795713207 912637056 /nfs/dbraw/zinc/63/70/56/912637056.db2.gz GUNCFCRZPBIBKE-UHFFFAOYSA-N 1 2 375.444 3.509 20 30 GHEDLO C[N@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccc(Br)c(F)c1 ZINC000494240465 881321590 /nfs/dbraw/zinc/32/15/90/881321590.db2.gz FGNUJOHAJKVLQU-UHFFFAOYSA-N 1 2 376.229 3.530 20 30 GHEDLO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccc(Br)c(F)c1 ZINC000494240465 881321605 /nfs/dbraw/zinc/32/16/05/881321605.db2.gz FGNUJOHAJKVLQU-UHFFFAOYSA-N 1 2 376.229 3.530 20 30 GHEDLO C#CCOc1ccc(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1 ZINC000761736616 883887048 /nfs/dbraw/zinc/88/70/48/883887048.db2.gz OTCAJWVPXNZEAR-FCHUYYIVSA-N 1 2 386.455 3.945 20 30 GHEDLO N#Cc1c(NC(=O)CC[N@H+]2CCOC[C@@H]2CC(F)F)sc2c1CCCCC2 ZINC000286537506 912794729 /nfs/dbraw/zinc/79/47/29/912794729.db2.gz ROYMOLHGFQQCRR-ZDUSSCGKSA-N 1 2 397.491 3.573 20 30 GHEDLO N#Cc1c(NC(=O)CC[N@@H+]2CCOC[C@@H]2CC(F)F)sc2c1CCCCC2 ZINC000286537506 912794738 /nfs/dbraw/zinc/79/47/38/912794738.db2.gz ROYMOLHGFQQCRR-ZDUSSCGKSA-N 1 2 397.491 3.573 20 30 GHEDLO C[C@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)c1nc(C(C)(C)C)no1 ZINC000191570342 884199890 /nfs/dbraw/zinc/19/98/90/884199890.db2.gz FOOYPGISHHKIBF-HNNXBMFYSA-N 1 2 378.480 3.995 20 30 GHEDLO C#CC[C@H](Cc1ccccc1)NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000806260955 884512539 /nfs/dbraw/zinc/51/25/39/884512539.db2.gz YEWSIZATJUSSRI-SIKLNZKXSA-N 1 2 391.515 3.836 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)N1CCO[C@H](c2ccccc2)C1 ZINC001183831160 912836625 /nfs/dbraw/zinc/83/66/25/912836625.db2.gz LSCQXEFTAUTEGW-PKTZIBPZSA-N 1 2 389.499 3.513 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)N1CCO[C@H](c2ccccc2)C1 ZINC001183831160 912836634 /nfs/dbraw/zinc/83/66/34/912836634.db2.gz LSCQXEFTAUTEGW-PKTZIBPZSA-N 1 2 389.499 3.513 20 30 GHEDLO C[C@H](Oc1ccc(C#N)cc1)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000109582582 884582118 /nfs/dbraw/zinc/58/21/18/884582118.db2.gz QYPWDRJLRNAZQB-INIZCTEOSA-N 1 2 390.443 3.580 20 30 GHEDLO N#CCCCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(F)c(Cl)cc1F)CC2 ZINC001275259708 912874071 /nfs/dbraw/zinc/87/40/71/912874071.db2.gz BWVYYURVHZUBDT-CQSZACIVSA-N 1 2 381.854 3.640 20 30 GHEDLO C[C@H](c1nnc(SCc2ccnc(C#N)c2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000610955346 885548002 /nfs/dbraw/zinc/54/80/02/885548002.db2.gz XBCSUUMTWYKPSG-CYBMUJFWSA-N 1 2 382.468 3.588 20 30 GHEDLO C[C@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117352293 886061371 /nfs/dbraw/zinc/06/13/71/886061371.db2.gz IAFXIZHNLIUQRM-SNVBAGLBSA-N 1 2 386.311 3.647 20 30 GHEDLO C[C@H](C(=O)NCc1ccc(F)cc1)[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117352293 886061379 /nfs/dbraw/zinc/06/13/79/886061379.db2.gz IAFXIZHNLIUQRM-SNVBAGLBSA-N 1 2 386.311 3.647 20 30 GHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1 ZINC000762547832 886372498 /nfs/dbraw/zinc/37/24/98/886372498.db2.gz HNINWFLBEFGGDG-IBGZPJMESA-N 1 2 380.398 3.544 20 30 GHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1 ZINC000762547832 886372513 /nfs/dbraw/zinc/37/25/13/886372513.db2.gz HNINWFLBEFGGDG-IBGZPJMESA-N 1 2 380.398 3.544 20 30 GHEDLO C#CCOc1cccc(-c2noc([C@H](c3ccccc3)[NH+]3CCSCC3)n2)c1 ZINC000809341971 887307089 /nfs/dbraw/zinc/30/70/89/887307089.db2.gz HDWSBMXMLOWEBZ-FQEVSTJZSA-N 1 2 391.496 3.887 20 30 GHEDLO C[NH+](C)Cc1cnc(/C=C2\COc3c(F)cc(Br)cc3C2=O)s1 ZINC000794703636 887929596 /nfs/dbraw/zinc/92/95/96/887929596.db2.gz WIOJZFQEKPUCJE-YCRREMRBSA-N 1 2 397.269 3.765 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000135597461 888250401 /nfs/dbraw/zinc/25/04/01/888250401.db2.gz PRFFHJWEEWVCCE-CRAIPNDOSA-N 1 2 397.548 3.620 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000135597461 888250416 /nfs/dbraw/zinc/25/04/16/888250416.db2.gz PRFFHJWEEWVCCE-CRAIPNDOSA-N 1 2 397.548 3.620 20 30 GHEDLO COc1ccc(C[NH2+]Cc2ncc(Br)s2)cc1OCCCC#N ZINC000865848008 888608288 /nfs/dbraw/zinc/60/82/88/888608288.db2.gz CAOTZMPTOJIPJP-UHFFFAOYSA-N 1 2 396.310 3.887 20 30 GHEDLO C[C@H]1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)C[C@H]1n1cc[nH+]c1 ZINC000287328616 913264750 /nfs/dbraw/zinc/26/47/50/913264750.db2.gz VRROXFNKGQZOQX-BLLLJJGKSA-N 1 2 388.269 3.632 20 30 GHEDLO COc1cccc(C2(F)CC[NH+]([C@H]3CCN(c4sccc4C#N)C3=O)CC2)c1 ZINC000532735680 888794336 /nfs/dbraw/zinc/79/43/36/888794336.db2.gz JFJIAFUSPRZZJE-SFHVURJKSA-N 1 2 399.491 3.694 20 30 GHEDLO N#Cc1ccccc1OCC[N@H+]1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000287473315 913360143 /nfs/dbraw/zinc/36/01/43/913360143.db2.gz RWHKZEUZXPDCLM-CQSZACIVSA-N 1 2 380.370 3.652 20 30 GHEDLO N#Cc1ccccc1OCC[N@@H+]1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000287473315 913360157 /nfs/dbraw/zinc/36/01/57/913360157.db2.gz RWHKZEUZXPDCLM-CQSZACIVSA-N 1 2 380.370 3.652 20 30 GHEDLO O=C(NC[C@@H]1CCC[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1)C(F)(F)F ZINC000811515288 889712076 /nfs/dbraw/zinc/71/20/76/889712076.db2.gz RCMKAFZQSQJFQL-JTQLQIEISA-N 1 2 386.311 3.735 20 30 GHEDLO O=C(NC[C@@H]1CCC[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1)C(F)(F)F ZINC000811515288 889712083 /nfs/dbraw/zinc/71/20/83/889712083.db2.gz RCMKAFZQSQJFQL-JTQLQIEISA-N 1 2 386.311 3.735 20 30 GHEDLO NC(=[NH+]OCc1nc(-c2c(F)cccc2F)cs1)c1ccc2c(c1)CCO2 ZINC000774774590 913387966 /nfs/dbraw/zinc/38/79/66/913387966.db2.gz FLMRXHIDQXJAMI-UHFFFAOYSA-N 1 2 387.411 3.860 20 30 GHEDLO C=CCOc1cc(OC)ccc1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000125227408 889916504 /nfs/dbraw/zinc/91/65/04/889916504.db2.gz YCTHJGVJMMXZLQ-UHFFFAOYSA-N 1 2 381.476 3.575 20 30 GHEDLO C=CCOc1cc(OC)ccc1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000125740174 890111957 /nfs/dbraw/zinc/11/19/57/890111957.db2.gz IDHLIFZZEUXHHC-UHFFFAOYSA-N 1 2 381.407 3.515 20 30 GHEDLO Cc1oc(NC(=O)C[NH+]2CCC(CCc3ccc(O)cc3)CC2)c(C#N)c1C ZINC000533244288 890125998 /nfs/dbraw/zinc/12/59/98/890125998.db2.gz NTBBLAQKFCPVOD-UHFFFAOYSA-N 1 2 381.476 3.757 20 30 GHEDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000533346906 890304760 /nfs/dbraw/zinc/30/47/60/890304760.db2.gz JFJRMLWKFRIHHH-CQSZACIVSA-N 1 2 391.899 3.594 20 30 GHEDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000533346906 890304778 /nfs/dbraw/zinc/30/47/78/890304778.db2.gz JFJRMLWKFRIHHH-CQSZACIVSA-N 1 2 391.899 3.594 20 30 GHEDLO C[N@H+](CC(=O)Nc1ccc(Br)cc1F)Cc1cccc(C#N)c1 ZINC000026323268 890332149 /nfs/dbraw/zinc/33/21/49/890332149.db2.gz HYAGZEGTPHCSBM-UHFFFAOYSA-N 1 2 376.229 3.530 20 30 GHEDLO C[N@@H+](CC(=O)Nc1ccc(Br)cc1F)Cc1cccc(C#N)c1 ZINC000026323268 890332166 /nfs/dbraw/zinc/33/21/66/890332166.db2.gz HYAGZEGTPHCSBM-UHFFFAOYSA-N 1 2 376.229 3.530 20 30 GHEDLO CCOC(=O)c1ccc(N[NH+]=C(C)c2ccc(N3CCOCC3)cc2)cc1C ZINC000812228082 890456416 /nfs/dbraw/zinc/45/64/16/890456416.db2.gz BTAHQQAESSXGRB-UHFFFAOYSA-N 1 2 381.476 3.844 20 30 GHEDLO C[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@@H]1CCCc2ccccc21 ZINC000917046812 890770437 /nfs/dbraw/zinc/77/04/37/890770437.db2.gz PZSDKJYGOIBZAR-AZUAARDMSA-N 1 2 386.455 3.521 20 30 GHEDLO C[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@@H]1CCCc2ccccc21 ZINC000917046812 890770448 /nfs/dbraw/zinc/77/04/48/890770448.db2.gz PZSDKJYGOIBZAR-AZUAARDMSA-N 1 2 386.455 3.521 20 30 GHEDLO C[C@@]([NH2+]CC#Cc1cccc(Cl)c1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000127222511 890958328 /nfs/dbraw/zinc/95/83/28/890958328.db2.gz WZPKROMZBRTAMM-SFHVURJKSA-N 1 2 380.797 3.701 20 30 GHEDLO C#C[C@H](NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(F)cc1 ZINC000812934095 891141792 /nfs/dbraw/zinc/14/17/92/891141792.db2.gz QTDHDGRBMZSOAP-VQTJNVASSA-N 1 2 376.435 3.517 20 30 GHEDLO C#C[C@H](NC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1 ZINC000812938736 891149026 /nfs/dbraw/zinc/14/90/26/891149026.db2.gz QEPHOKHWGWZMKT-NRFANRHFSA-N 1 2 394.494 3.843 20 30 GHEDLO N#Cc1ccc(CN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C2CC2)cc1 ZINC000171300086 891192149 /nfs/dbraw/zinc/19/21/49/891192149.db2.gz XWWYTHXXSQKTFZ-UHFFFAOYSA-N 1 2 389.503 3.818 20 30 GHEDLO C[C@H](C#N)Oc1ccc(C[NH+]2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000125856741 893059241 /nfs/dbraw/zinc/05/92/41/893059241.db2.gz PXXGGNNBRGXYLY-MRXNPFEDSA-N 1 2 383.879 3.589 20 30 GHEDLO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000174857080 893130958 /nfs/dbraw/zinc/13/09/58/893130958.db2.gz ZHRWOMATVBJOPW-INIZCTEOSA-N 1 2 398.507 3.583 20 30 GHEDLO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000174857080 893130969 /nfs/dbraw/zinc/13/09/69/893130969.db2.gz ZHRWOMATVBJOPW-INIZCTEOSA-N 1 2 398.507 3.583 20 30 GHEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC000508764599 893224434 /nfs/dbraw/zinc/22/44/34/893224434.db2.gz NASLVOABSILIAW-WIYYLYMNSA-N 1 2 376.504 3.710 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(C#N)cc3C3CC3)CC2)cc1 ZINC000933839648 893250901 /nfs/dbraw/zinc/25/09/01/893250901.db2.gz VGNFBBDMXVHLGD-UHFFFAOYSA-N 1 2 385.471 3.657 20 30 GHEDLO N#Cc1cnc(Cl)c(C[NH2+][C@@H](CCO)c2ccccc2Br)c1 ZINC000877190867 893526682 /nfs/dbraw/zinc/52/66/82/893526682.db2.gz BZBPYTDBMNHYMJ-HNNXBMFYSA-N 1 2 380.673 3.582 20 30 GHEDLO CCOc1cc(C[N@H+](C[C@H](C)C#N)C2CC2)ccc1OCC(=O)N1CCCCC1 ZINC000536709337 893615865 /nfs/dbraw/zinc/61/58/65/893615865.db2.gz BKHKHOMGKYYZNC-GOSISDBHSA-N 1 2 399.535 3.601 20 30 GHEDLO CCOc1cc(C[N@@H+](C[C@H](C)C#N)C2CC2)ccc1OCC(=O)N1CCCCC1 ZINC000536709337 893615871 /nfs/dbraw/zinc/61/58/71/893615871.db2.gz BKHKHOMGKYYZNC-GOSISDBHSA-N 1 2 399.535 3.601 20 30 GHEDLO COc1ccc(C[N@@H+]2CCO[C@H](c3ccccc3OC)C2)cc1OCCCC#N ZINC000877754592 893792024 /nfs/dbraw/zinc/79/20/24/893792024.db2.gz LQCCWOVQUHIXME-QHCPKHFHSA-N 1 2 396.487 3.960 20 30 GHEDLO COc1ccc(C[N@H+]2CCO[C@H](c3ccccc3OC)C2)cc1OCCCC#N ZINC000877754592 893792036 /nfs/dbraw/zinc/79/20/36/893792036.db2.gz LQCCWOVQUHIXME-QHCPKHFHSA-N 1 2 396.487 3.960 20 30 GHEDLO CC(=O)[C@](C#N)(CCN1CCC[N@H+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000877916020 893892634 /nfs/dbraw/zinc/89/26/34/893892634.db2.gz UXTNXXPAGVDWGK-XMMPIXPASA-N 1 2 393.506 3.774 20 30 GHEDLO CC(=O)[C@](C#N)(CCN1CCC[N@@H+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000877916020 893892651 /nfs/dbraw/zinc/89/26/51/893892651.db2.gz UXTNXXPAGVDWGK-XMMPIXPASA-N 1 2 393.506 3.774 20 30 GHEDLO CC(=O)c1cc(Cl)cc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1O ZINC000748051389 894605352 /nfs/dbraw/zinc/60/53/52/894605352.db2.gz TXJZKAMIQMQCDL-UHFFFAOYSA-N 1 2 397.906 3.828 20 30 GHEDLO CC(=O)c1cc(Cl)cc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1O ZINC000748051389 894605357 /nfs/dbraw/zinc/60/53/57/894605357.db2.gz TXJZKAMIQMQCDL-UHFFFAOYSA-N 1 2 397.906 3.828 20 30 GHEDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c1O ZINC000748051389 894605362 /nfs/dbraw/zinc/60/53/62/894605362.db2.gz TXJZKAMIQMQCDL-UHFFFAOYSA-N 1 2 397.906 3.828 20 30 GHEDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c1O ZINC000748051389 894605365 /nfs/dbraw/zinc/60/53/65/894605365.db2.gz TXJZKAMIQMQCDL-UHFFFAOYSA-N 1 2 397.906 3.828 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000880320060 895637279 /nfs/dbraw/zinc/63/72/79/895637279.db2.gz NMXZNUMKLKCJOV-CABCVRRESA-N 1 2 386.546 3.965 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@H](c2nccs2)C1 ZINC000880320060 895637286 /nfs/dbraw/zinc/63/72/86/895637286.db2.gz NMXZNUMKLKCJOV-CABCVRRESA-N 1 2 386.546 3.965 20 30 GHEDLO CCc1ccc([C@@H](C#N)N(C)C(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)cc1 ZINC000565900593 895967252 /nfs/dbraw/zinc/96/72/52/895967252.db2.gz NLBLUJYVYKUUOI-HXUWFJFHSA-N 1 2 382.414 3.909 20 30 GHEDLO CN(C(=O)[C@@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)C1)c1ccccc1 ZINC000565908571 895972678 /nfs/dbraw/zinc/97/26/78/895972678.db2.gz BJWZCRKMAOIVRZ-MRXNPFEDSA-N 1 2 398.304 3.806 20 30 GHEDLO CN(C(=O)[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)C1)c1ccccc1 ZINC000565908571 895972682 /nfs/dbraw/zinc/97/26/82/895972682.db2.gz BJWZCRKMAOIVRZ-MRXNPFEDSA-N 1 2 398.304 3.806 20 30 GHEDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)Nc1ccc(CC#N)cc1 ZINC000102952363 898053893 /nfs/dbraw/zinc/05/38/93/898053893.db2.gz SMTXOZMUIWYZKR-IBGZPJMESA-N 1 2 392.503 3.507 20 30 GHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH+]2CCC([C@@H](C)O)CC2)c1C#N ZINC000111285560 898796303 /nfs/dbraw/zinc/79/63/03/898796303.db2.gz FZEBOSHMTCYLPW-QGZVFWFLSA-N 1 2 386.540 3.513 20 30 GHEDLO C[C@H](c1nnc(Sc2cncc(C#N)n2)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000574677146 900965355 /nfs/dbraw/zinc/96/53/55/900965355.db2.gz HBDLORNEKYOWGR-OAHLLOKOSA-N 1 2 391.504 3.627 20 30 GHEDLO Cc1nc(C2CC[NH+]([C@H](C)C(=O)N(CCC#N)c3ccccc3)CC2)[nH]c1C ZINC000886664359 901213448 /nfs/dbraw/zinc/21/34/48/901213448.db2.gz KBSAWXUIQVPKRO-GOSISDBHSA-N 1 2 379.508 3.541 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886685050 901227333 /nfs/dbraw/zinc/22/73/33/901227333.db2.gz ZCTRRISORYQAGJ-DLBZAZTESA-N 1 2 395.532 3.546 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886685050 901227348 /nfs/dbraw/zinc/22/73/48/901227348.db2.gz ZCTRRISORYQAGJ-DLBZAZTESA-N 1 2 395.532 3.546 20 30 GHEDLO N#Cc1cccc(-c2nnc(C[NH2+]C3(c4ccc(F)cc4)CCOCC3)o2)c1 ZINC000575931120 901491499 /nfs/dbraw/zinc/49/14/99/901491499.db2.gz QXXKXNZLVLJJLH-UHFFFAOYSA-N 1 2 378.407 3.543 20 30 GHEDLO COc1cccc([C@H]2C[N@H+](Cc3ccc(OC)c(OCCCC#N)c3)CCO2)c1 ZINC000093080333 901527720 /nfs/dbraw/zinc/52/77/20/901527720.db2.gz NRSDATDEJHLYAA-HSZRJFAPSA-N 1 2 396.487 3.960 20 30 GHEDLO COc1cccc([C@H]2C[N@@H+](Cc3ccc(OC)c(OCCCC#N)c3)CCO2)c1 ZINC000093080333 901527728 /nfs/dbraw/zinc/52/77/28/901527728.db2.gz NRSDATDEJHLYAA-HSZRJFAPSA-N 1 2 396.487 3.960 20 30 GHEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc3ccccc3c2Br)CC1 ZINC001144315304 901757413 /nfs/dbraw/zinc/75/74/13/901757413.db2.gz PSULDHCCXPIPRX-UHFFFAOYSA-N 1 2 387.277 3.881 20 30 GHEDLO CCc1sc(-c2nnc(C[N@@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)o2)cc1C ZINC000576806711 902274231 /nfs/dbraw/zinc/27/42/31/902274231.db2.gz MXDKLVBMSJAGSX-OAHLLOKOSA-N 1 2 395.488 3.589 20 30 GHEDLO CCc1sc(-c2nnc(C[N@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)o2)cc1C ZINC000576806711 902274242 /nfs/dbraw/zinc/27/42/42/902274242.db2.gz MXDKLVBMSJAGSX-OAHLLOKOSA-N 1 2 395.488 3.589 20 30 GHEDLO C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[NH+]1CCC(C#N)CC1 ZINC000263702113 902414765 /nfs/dbraw/zinc/41/47/65/902414765.db2.gz LSRATJNXDIEAGF-MRXNPFEDSA-N 1 2 380.517 3.936 20 30 GHEDLO C[C@@H](c1ccccc1)[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)C1CC1 ZINC000264253113 902965521 /nfs/dbraw/zinc/96/55/21/902965521.db2.gz YBTANRLBSGBAAB-KXBFYZLASA-N 1 2 386.455 3.737 20 30 GHEDLO C[C@@H](c1ccccc1)[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)C1CC1 ZINC000264253113 902965525 /nfs/dbraw/zinc/96/55/25/902965525.db2.gz YBTANRLBSGBAAB-KXBFYZLASA-N 1 2 386.455 3.737 20 30 GHEDLO CCOC(=O)[C@@H]1c2ccc(OC)cc2CC[N@@H+]1[C@@H](C)Cc1cccc(C#N)c1 ZINC001171234581 903082861 /nfs/dbraw/zinc/08/28/61/903082861.db2.gz VABMJCYLRBXQQW-AOMKIAJQSA-N 1 2 378.472 3.660 20 30 GHEDLO CCOC(=O)[C@@H]1c2ccc(OC)cc2CC[N@H+]1[C@@H](C)Cc1cccc(C#N)c1 ZINC001171234581 903082873 /nfs/dbraw/zinc/08/28/73/903082873.db2.gz VABMJCYLRBXQQW-AOMKIAJQSA-N 1 2 378.472 3.660 20 30 GHEDLO N#Cc1ccc(-c2nnc(C[N@@H+](CCCO)Cc3cccc(Cl)c3)o2)cc1 ZINC000134295936 903490653 /nfs/dbraw/zinc/49/06/53/903490653.db2.gz IUCVRMJPXIFSFI-UHFFFAOYSA-N 1 2 382.851 3.646 20 30 GHEDLO N#Cc1ccc(-c2nnc(C[N@H+](CCCO)Cc3cccc(Cl)c3)o2)cc1 ZINC000134295936 903490673 /nfs/dbraw/zinc/49/06/73/903490673.db2.gz IUCVRMJPXIFSFI-UHFFFAOYSA-N 1 2 382.851 3.646 20 30 GHEDLO CCCNc1ccc(C#N)cc1NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC001147156982 903706743 /nfs/dbraw/zinc/70/67/43/903706743.db2.gz WRGLAICXUNWVPN-UHFFFAOYSA-N 1 2 388.475 3.941 20 30 GHEDLO C=CCC1(O)CCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000887925513 904009627 /nfs/dbraw/zinc/00/96/27/904009627.db2.gz NHAPGHQTCZSKFK-UHFFFAOYSA-N 1 2 378.476 3.537 20 30 GHEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC001171399948 904504084 /nfs/dbraw/zinc/50/40/84/904504084.db2.gz OYKOIPQZPYZKFC-CQSZACIVSA-N 1 2 376.485 3.974 20 30 GHEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC001171399948 904504092 /nfs/dbraw/zinc/50/40/92/904504092.db2.gz OYKOIPQZPYZKFC-CQSZACIVSA-N 1 2 376.485 3.974 20 30 GHEDLO Cn1cc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000179936488 906638224 /nfs/dbraw/zinc/63/82/24/906638224.db2.gz DPIWKKYWLVGYRJ-NRFANRHFSA-N 1 2 376.435 3.671 20 30 GHEDLO Cn1cc(C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000179936488 906638229 /nfs/dbraw/zinc/63/82/29/906638229.db2.gz DPIWKKYWLVGYRJ-NRFANRHFSA-N 1 2 376.435 3.671 20 30 GHEDLO N#Cc1cc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)ccc1N1CCCC1 ZINC001174434084 907027477 /nfs/dbraw/zinc/02/74/77/907027477.db2.gz AFZHHGYGSVOMDA-UHFFFAOYSA-N 1 2 392.503 3.613 20 30 GHEDLO CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3cc(F)cc(C#N)c3)c[nH+]2)CC1 ZINC001174453717 907059923 /nfs/dbraw/zinc/05/99/23/907059923.db2.gz IRBKIXBVQDHITB-UHFFFAOYSA-N 1 2 397.454 3.893 20 30 GHEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)c1C#N ZINC001174593030 907106308 /nfs/dbraw/zinc/10/63/08/907106308.db2.gz BZSLXCRIGKNBJQ-CABCVRRESA-N 1 2 398.482 3.543 20 30 GHEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)c1C#N ZINC001174593030 907106315 /nfs/dbraw/zinc/10/63/15/907106315.db2.gz BZSLXCRIGKNBJQ-CABCVRRESA-N 1 2 398.482 3.543 20 30 GHEDLO CC(C)[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)Cc1ccc(F)cc1 ZINC000299406794 921308216 /nfs/dbraw/zinc/30/82/16/921308216.db2.gz XYWKDCGYTWXAAU-SFHVURJKSA-N 1 2 392.434 3.561 20 30 GHEDLO CC(C)[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)Cc1ccc(F)cc1 ZINC000299406794 921308217 /nfs/dbraw/zinc/30/82/17/921308217.db2.gz XYWKDCGYTWXAAU-SFHVURJKSA-N 1 2 392.434 3.561 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)Cc2ccccc2CC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000777411160 907682012 /nfs/dbraw/zinc/68/20/12/907682012.db2.gz ZKUYFLFLUKDWIQ-TZIWHRDSSA-N 1 2 385.870 3.649 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)Cc2ccccc2CC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000777411160 907682019 /nfs/dbraw/zinc/68/20/19/907682019.db2.gz ZKUYFLFLUKDWIQ-TZIWHRDSSA-N 1 2 385.870 3.649 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)cc1Cl ZINC001176086234 907906022 /nfs/dbraw/zinc/90/60/22/907906022.db2.gz FZKLKBBUJCQJHG-CQSZACIVSA-N 1 2 375.753 3.517 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)cc1Cl ZINC001176086234 907906035 /nfs/dbraw/zinc/90/60/35/907906035.db2.gz FZKLKBBUJCQJHG-CQSZACIVSA-N 1 2 375.753 3.517 20 30 GHEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCSC[C@@H]2c2nccs2)cc1Cl ZINC000187063162 908030254 /nfs/dbraw/zinc/03/02/54/908030254.db2.gz CMNAIATUYUFJRG-OAHLLOKOSA-N 1 2 392.937 3.787 20 30 GHEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCSC[C@@H]2c2nccs2)cc1Cl ZINC000187063162 908030265 /nfs/dbraw/zinc/03/02/65/908030265.db2.gz CMNAIATUYUFJRG-OAHLLOKOSA-N 1 2 392.937 3.787 20 30 GHEDLO N#Cc1cc(NC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)ccc1N1CCCCC1 ZINC001176967365 908334676 /nfs/dbraw/zinc/33/46/76/908334676.db2.gz KPDZUYJSKBLQQJ-SFHVURJKSA-N 1 2 389.503 3.799 20 30 GHEDLO C[C@H](CC#N)[N@@H+](C)Cc1ccc(Br)cc1CN(C)[C@@H](C)CC#N ZINC000192074340 908715418 /nfs/dbraw/zinc/71/54/18/908715418.db2.gz MKGIXIXYDVYFQN-CABCVRRESA-N 1 2 377.330 3.917 20 30 GHEDLO C[C@H](CC#N)[N@H+](C)Cc1ccc(Br)cc1CN(C)[C@@H](C)CC#N ZINC000192074340 908715422 /nfs/dbraw/zinc/71/54/22/908715422.db2.gz MKGIXIXYDVYFQN-CABCVRRESA-N 1 2 377.330 3.917 20 30 GHEDLO N#Cc1cc(Cl)ccc1COC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000780034966 909307407 /nfs/dbraw/zinc/30/74/07/909307407.db2.gz NKYLFBUUEVJIJC-FQEVSTJZSA-N 1 2 384.863 3.546 20 30 GHEDLO N#Cc1cc(Cl)ccc1COC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000780034966 909307419 /nfs/dbraw/zinc/30/74/19/909307419.db2.gz NKYLFBUUEVJIJC-FQEVSTJZSA-N 1 2 384.863 3.546 20 30 GHEDLO COc1ccc(C[NH2+]Cc2csc([C@@H](C)OC)n2)cc1OCCCC#N ZINC000267663376 909579505 /nfs/dbraw/zinc/57/95/05/909579505.db2.gz XEPZGKXGIOASJD-CQSZACIVSA-N 1 2 375.494 3.831 20 30 GHEDLO CC(C)(C)c1nnc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)s1 ZINC000268165732 909783974 /nfs/dbraw/zinc/78/39/74/909783974.db2.gz FMOSZKHXVBRTRP-UHFFFAOYSA-N 1 2 380.521 3.903 20 30 GHEDLO CN(C)c1nc(Cl)c(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)s1 ZINC001181610163 910876552 /nfs/dbraw/zinc/87/65/52/910876552.db2.gz FLXLIWYNBHPYMG-UHFFFAOYSA-N 1 2 394.903 3.917 20 30 GHEDLO C#CCCCCCCCCC(=O)N1CC[NH+](Cc2ccc(C(=O)OC)cc2)CC1 ZINC001182186351 911231464 /nfs/dbraw/zinc/23/14/64/911231464.db2.gz HUZUQMJFZPGMKI-UHFFFAOYSA-N 1 2 398.547 3.871 20 30 GHEDLO Cn1cc(C[NH+]2CC(OCCCc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC001182215593 911304714 /nfs/dbraw/zinc/30/47/14/911304714.db2.gz GCBGCDAFVSFGNH-UHFFFAOYSA-N 1 2 386.499 3.792 20 30 GHEDLO C#C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2OCCN2CCOCC2)C1 ZINC001182605192 911918858 /nfs/dbraw/zinc/91/88/58/911918858.db2.gz SBBRCYNSNMGSQF-INIZCTEOSA-N 1 2 397.346 3.550 20 30 GHEDLO C#C[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2OCCN2CCOCC2)C1 ZINC001182605192 911918867 /nfs/dbraw/zinc/91/88/67/911918867.db2.gz SBBRCYNSNMGSQF-INIZCTEOSA-N 1 2 397.346 3.550 20 30 GHEDLO Cc1cc(Br)cc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 ZINC000775063583 914877919 /nfs/dbraw/zinc/87/79/19/914877919.db2.gz UHLFMTLNQUHWMR-HOCLYGCPSA-N 1 2 394.313 3.606 20 30 GHEDLO Cc1[nH+]cn(-c2ccc(NC(=O)CCc3c(C)[nH]c(=O)c(C#N)c3C)cc2)c1C ZINC000291132256 914998335 /nfs/dbraw/zinc/99/83/35/914998335.db2.gz DZOCJLZOGLBYEO-UHFFFAOYSA-N 1 2 389.459 3.650 20 30 GHEDLO N#CCCCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(Br)cs1 ZINC001275610450 915293037 /nfs/dbraw/zinc/29/30/37/915293037.db2.gz GBDHWBXTWAGRCY-QGZVFWFLSA-N 1 2 396.354 3.771 20 30 GHEDLO N#CCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Br)cs1 ZINC001275610450 915293045 /nfs/dbraw/zinc/29/30/45/915293045.db2.gz GBDHWBXTWAGRCY-QGZVFWFLSA-N 1 2 396.354 3.771 20 30 GHEDLO C[Si](C)(C)C#Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)cc1 ZINC001189169445 916466648 /nfs/dbraw/zinc/46/66/48/916466648.db2.gz FTRXMVCJUYHPRF-LJQANCHMSA-N 1 2 390.550 3.861 20 30 GHEDLO N#Cc1cc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cnc1C(F)(F)F ZINC000294642054 916908895 /nfs/dbraw/zinc/90/88/95/916908895.db2.gz QBQCGVMCDPNUBF-UHFFFAOYSA-N 1 2 395.410 3.667 20 30 GHEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(Br)cc1C#N ZINC000295196291 917199207 /nfs/dbraw/zinc/19/92/07/917199207.db2.gz UNBKVZHWNNVKEC-UHFFFAOYSA-N 1 2 389.297 3.632 20 30 GHEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(Br)c(F)c1 ZINC001275781493 917214746 /nfs/dbraw/zinc/21/47/46/917214746.db2.gz NGBZOLZPZUDDOL-SFHVURJKSA-N 1 2 381.289 3.731 20 30 GHEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(Br)c(F)c1 ZINC001275781493 917214762 /nfs/dbraw/zinc/21/47/62/917214762.db2.gz NGBZOLZPZUDDOL-SFHVURJKSA-N 1 2 381.289 3.731 20 30 GHEDLO FC(F)(F)Oc1ccc(C#CC[NH+]2CCN(c3ccc(Cl)cn3)CC2)cc1 ZINC001190650378 917480047 /nfs/dbraw/zinc/48/00/47/917480047.db2.gz CEUPKFAVFULAGU-UHFFFAOYSA-N 1 2 395.812 3.807 20 30 GHEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC000796464957 917559566 /nfs/dbraw/zinc/55/95/66/917559566.db2.gz LZBMOPKNDCVGDL-SFHVURJKSA-N 1 2 381.451 3.836 20 30 GHEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC000796464957 917559574 /nfs/dbraw/zinc/55/95/74/917559574.db2.gz LZBMOPKNDCVGDL-SFHVURJKSA-N 1 2 381.451 3.836 20 30 GHEDLO CC[N@H+](Cc1cc(Br)ccc1O)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001191266990 917880774 /nfs/dbraw/zinc/88/07/74/917880774.db2.gz CAXOETRGWGMFTL-UHFFFAOYSA-N 1 2 390.237 3.957 20 30 GHEDLO CC[N@@H+](Cc1cc(Br)ccc1O)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001191266990 917880782 /nfs/dbraw/zinc/88/07/82/917880782.db2.gz CAXOETRGWGMFTL-UHFFFAOYSA-N 1 2 390.237 3.957 20 30 GHEDLO C[C@@H]1C[N@@H+](CCN(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C[C@H](C)O1 ZINC001191637107 918086168 /nfs/dbraw/zinc/08/61/68/918086168.db2.gz ZYWWFSVSQFTWEJ-KDURUIRLSA-N 1 2 381.495 3.809 20 30 GHEDLO C[C@@H]1C[N@H+](CCN(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C[C@H](C)O1 ZINC001191637107 918086183 /nfs/dbraw/zinc/08/61/83/918086183.db2.gz ZYWWFSVSQFTWEJ-KDURUIRLSA-N 1 2 381.495 3.809 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000363677081 918656536 /nfs/dbraw/zinc/65/65/36/918656536.db2.gz HLMRRLFNJNNNNH-HNNXBMFYSA-N 1 2 383.521 3.622 20 30 GHEDLO N#Cc1cccc(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 ZINC000007493949 919336321 /nfs/dbraw/zinc/33/63/21/919336321.db2.gz UGKXNMBXQNGFJB-UHFFFAOYSA-N 1 2 390.365 3.807 20 30 GHEDLO COc1ccc(C)cc1NC(=O)[C@H](C)O[NH+]=C(N)Cc1ccccc1Cl ZINC000113249285 919365044 /nfs/dbraw/zinc/36/50/44/919365044.db2.gz DRWAZXYSFHAWFH-ZDUSSCGKSA-N 1 2 375.856 3.516 20 30 GHEDLO N#Cc1ccc([C@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)cc2)C(N)=O)cc1 ZINC000115595912 919457364 /nfs/dbraw/zinc/45/73/64/919457364.db2.gz KHOTUSGTBKEVBJ-NRFANRHFSA-N 1 2 375.403 3.806 20 30 GHEDLO C[C@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1nc(C(F)(F)F)cs1 ZINC000298440587 920536681 /nfs/dbraw/zinc/53/66/81/920536681.db2.gz GXILOLXIRUCDNW-WPRPVWTQSA-N 1 2 386.424 3.551 20 30 GHEDLO C[C@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1nc(C(F)(F)F)cs1 ZINC000298440574 920536881 /nfs/dbraw/zinc/53/68/81/920536881.db2.gz GXILOLXIRUCDNW-WCBMZHEXSA-N 1 2 386.424 3.551 20 30 GHEDLO Cc1n[nH]cc1C1CC[NH+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000366954260 921837530 /nfs/dbraw/zinc/83/75/30/921837530.db2.gz WMGXNIRNCJZOIB-OAHLLOKOSA-N 1 2 397.548 3.788 20 30 GHEDLO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367056949 921897821 /nfs/dbraw/zinc/89/78/21/921897821.db2.gz DJOFOUKDHFGMOG-QZTJIDSGSA-N 1 2 394.544 3.752 20 30 GHEDLO CC(C)(C)OC(=O)Nc1ncc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)s1 ZINC000367243084 921996932 /nfs/dbraw/zinc/99/69/32/921996932.db2.gz HHYBVQCPXVTXIE-UHFFFAOYSA-N 1 2 399.520 3.942 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000368792946 922878311 /nfs/dbraw/zinc/87/83/11/922878311.db2.gz REIDVIKMJUOSGD-AEFFLSMTSA-N 1 2 387.549 3.910 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000368792946 922878316 /nfs/dbraw/zinc/87/83/16/922878316.db2.gz REIDVIKMJUOSGD-AEFFLSMTSA-N 1 2 387.549 3.910 20 30 GHEDLO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000903262125 922888398 /nfs/dbraw/zinc/88/83/98/922888398.db2.gz AJGRMDGBWYAYTA-XJKSGUPXSA-N 1 2 375.469 3.953 20 30 GHEDLO N#CC1(c2ccccn2)CC[NH+]([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 ZINC000369207192 923204034 /nfs/dbraw/zinc/20/40/34/923204034.db2.gz OTIJLOHUAKRWES-GOSISDBHSA-N 1 2 398.869 3.537 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[C@H]3c3ccccc3Cl)CC2)cc1 ZINC000010085722 923812455 /nfs/dbraw/zinc/81/24/55/923812455.db2.gz BMNQEUZSGIWZFY-PMACEKPBSA-N 1 2 379.891 3.660 20 30 GHEDLO C=CC[N@H+](Cc1cccc(C#N)c1)[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000411197140 926192864 /nfs/dbraw/zinc/19/28/64/926192864.db2.gz VOOPONFBTDMEAA-INIZCTEOSA-N 1 2 379.460 3.549 20 30 GHEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000411197140 926192869 /nfs/dbraw/zinc/19/28/69/926192869.db2.gz VOOPONFBTDMEAA-INIZCTEOSA-N 1 2 379.460 3.549 20 30 GHEDLO CSc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000373861068 926502204 /nfs/dbraw/zinc/50/22/04/926502204.db2.gz WOPIIBCJTLTGCF-MRXNPFEDSA-N 1 2 380.517 3.688 20 30 GHEDLO COc1c(C)c[nH+]c(CNC(=O)c2occc2COc2cccc(C#N)c2)c1C ZINC000726504257 926712658 /nfs/dbraw/zinc/71/26/58/926712658.db2.gz FDWKBEKHERZGIT-UHFFFAOYSA-N 1 2 391.427 3.681 20 30 GHEDLO N#CCCN(Cc1ccccn1)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000374333606 927027746 /nfs/dbraw/zinc/02/77/46/927027746.db2.gz VGQQCWDRXSJNTH-UHFFFAOYSA-N 1 2 398.470 3.945 20 30 GHEDLO Cc1cc(N2CCC([N@H+](C)CC(F)F)CC2)n2c3ccccc3nc2c1C#N ZINC000749287382 927036306 /nfs/dbraw/zinc/03/63/06/927036306.db2.gz GQRLDKJUFALXNI-UHFFFAOYSA-N 1 2 383.446 3.833 20 30 GHEDLO Cc1cc(N2CCC([N@@H+](C)CC(F)F)CC2)n2c3ccccc3nc2c1C#N ZINC000749287382 927036320 /nfs/dbraw/zinc/03/63/20/927036320.db2.gz GQRLDKJUFALXNI-UHFFFAOYSA-N 1 2 383.446 3.833 20 30 GHEDLO C=CCn1c(-c2cccc(C)c2)nn(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1=S ZINC000749799253 927278644 /nfs/dbraw/zinc/27/86/44/927278644.db2.gz VPDZOWBOPANXQW-RBUKOAKNSA-N 1 2 384.549 3.891 20 30 GHEDLO C=CCn1c(-c2cccc(C)c2)nn(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1=S ZINC000749799253 927278653 /nfs/dbraw/zinc/27/86/53/927278653.db2.gz VPDZOWBOPANXQW-RBUKOAKNSA-N 1 2 384.549 3.891 20 30 GHEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000374806911 927543670 /nfs/dbraw/zinc/54/36/70/927543670.db2.gz NWTONLYDFISJSS-QGZVFWFLSA-N 1 2 395.482 3.929 20 30 GHEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000374806911 927543672 /nfs/dbraw/zinc/54/36/72/927543672.db2.gz NWTONLYDFISJSS-QGZVFWFLSA-N 1 2 395.482 3.929 20 30 GHEDLO CON=Cc1ccc(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1 ZINC000750448117 927640710 /nfs/dbraw/zinc/64/07/10/927640710.db2.gz YVQHCWQVXLVGRO-OAQYLSRUSA-N 1 2 376.460 3.652 20 30 GHEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000413059636 928153634 /nfs/dbraw/zinc/15/36/34/928153634.db2.gz KXQFEORWIOVBAD-QHCPKHFHSA-N 1 2 393.531 3.505 20 30 GHEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC=C(c3c[nH]c4ccccc43)CC2)C1=O ZINC000751468175 928205511 /nfs/dbraw/zinc/20/55/11/928205511.db2.gz DLYAVBMWXXBNIA-HXUWFJFHSA-N 1 2 388.496 3.996 20 30 GHEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC=C(c3c[nH]c4ccccc43)CC2)C1=O ZINC000751468175 928205523 /nfs/dbraw/zinc/20/55/23/928205523.db2.gz DLYAVBMWXXBNIA-HXUWFJFHSA-N 1 2 388.496 3.996 20 30 GHEDLO COCCOc1ccc(C#N)cc1NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000753588998 929432848 /nfs/dbraw/zinc/43/28/48/929432848.db2.gz HNLLCEUSMZKBJP-UHFFFAOYSA-N 1 2 394.519 3.730 20 30 GHEDLO C[C@@H]1CC(N=Nc2ccc(S(=O)(=O)C(F)F)cc2)C[N@@H+]1Cc1ccccc1 ZINC000757575811 929733047 /nfs/dbraw/zinc/73/30/47/929733047.db2.gz QJVXGCTYQGCIEP-CQSZACIVSA-N 1 2 393.459 3.745 20 30 GHEDLO C[C@@H]1CC(N=Nc2ccc(S(=O)(=O)C(F)F)cc2)C[N@H+]1Cc1ccccc1 ZINC000757575811 929733059 /nfs/dbraw/zinc/73/30/59/929733059.db2.gz QJVXGCTYQGCIEP-CQSZACIVSA-N 1 2 393.459 3.745 20 30 GHEDLO CC(=[NH+]Nc1cncc(Br)c1)c1cccc(N2CCOCC2)c1 ZINC000758130481 929936973 /nfs/dbraw/zinc/93/69/73/929936973.db2.gz RBJRUJLOMMUZST-UHFFFAOYSA-N 1 2 375.270 3.517 20 30 GHEDLO C=CCn1c(C)nn(C[N@@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c1=S ZINC000758265259 929994587 /nfs/dbraw/zinc/99/45/87/929994587.db2.gz WFMZTIXPSDDHFC-MSOLQXFVSA-N 1 2 376.501 3.857 20 30 GHEDLO C=CCn1c(C)nn(C[N@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c1=S ZINC000758265259 929994594 /nfs/dbraw/zinc/99/45/94/929994594.db2.gz WFMZTIXPSDDHFC-MSOLQXFVSA-N 1 2 376.501 3.857 20 30 GHEDLO C#CCOc1cccc(Cl)c1C[NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000758513367 930066936 /nfs/dbraw/zinc/06/69/36/930066936.db2.gz IHAWTLMQPACXSJ-UHFFFAOYSA-N 1 2 398.311 3.699 20 30 GHEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000469756391 930139672 /nfs/dbraw/zinc/13/96/72/930139672.db2.gz LZQFFGZFXWIYED-UTRMSSBJSA-N 1 2 380.891 3.712 20 30 GHEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000469756391 930139687 /nfs/dbraw/zinc/13/96/87/930139687.db2.gz LZQFFGZFXWIYED-UTRMSSBJSA-N 1 2 380.891 3.712 20 30 GHEDLO N#CCCN(C(=O)C[NH+]1CCC(Oc2ccccn2)CC1)c1cccc(Cl)c1 ZINC000470198039 930447157 /nfs/dbraw/zinc/44/71/57/930447157.db2.gz NOMBGYIGWQNHOK-UHFFFAOYSA-N 1 2 398.894 3.525 20 30 GHEDLO C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000780677431 930574271 /nfs/dbraw/zinc/57/42/71/930574271.db2.gz GNOWOTYBNLWLRJ-VQIMIIECSA-N 1 2 389.459 3.816 20 30 GHEDLO N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cc1 ZINC000470899641 931014267 /nfs/dbraw/zinc/01/42/67/931014267.db2.gz YDNBJHZBLALOJX-MRXNPFEDSA-N 1 2 375.819 3.718 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)/C=C\c2ccccc2C#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000782750684 931324289 /nfs/dbraw/zinc/32/42/89/931324289.db2.gz QKPBQGDHQONROM-FITJFQGMSA-N 1 2 399.416 3.940 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)/C=C\c2ccccc2C#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000782750684 931324295 /nfs/dbraw/zinc/32/42/95/931324295.db2.gz QKPBQGDHQONROM-FITJFQGMSA-N 1 2 399.416 3.940 20 30 GHEDLO Cc1cc(Br)cn2c(CN=Nc3cc(C#N)cc(Cl)n3)c[nH+]c12 ZINC000783863480 931696839 /nfs/dbraw/zinc/69/68/39/931696839.db2.gz LKYJXGYLCNCDBX-UHFFFAOYSA-N 1 2 389.644 3.771 20 30 GHEDLO C=CCOc1ccc(CNC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)cc1 ZINC000558335697 931948474 /nfs/dbraw/zinc/94/84/74/931948474.db2.gz QGVMGGKBULQCAO-SFHVURJKSA-N 1 2 395.503 3.966 20 30 GHEDLO CC(C)c1c(Cl)nc[nH+]c1NNC1=CC(=O)N(C(=O)OC(C)(C)C)[C@@H]1C ZINC000797403411 932271303 /nfs/dbraw/zinc/27/13/03/932271303.db2.gz LTWOLCDGAZJDLD-SNVBAGLBSA-N 1 2 381.864 3.577 20 30 GHEDLO C=CCn1c([C@@H]2COc3ccccc3O2)nn(C[N@@H+](C)C2CCCC2)c1=S ZINC000798193337 932559058 /nfs/dbraw/zinc/55/90/58/932559058.db2.gz IOKFTMPXNRUGKT-SFHVURJKSA-N 1 2 386.521 3.944 20 30 GHEDLO C=CCn1c([C@@H]2COc3ccccc3O2)nn(C[N@H+](C)C2CCCC2)c1=S ZINC000798193337 932559061 /nfs/dbraw/zinc/55/90/61/932559061.db2.gz IOKFTMPXNRUGKT-SFHVURJKSA-N 1 2 386.521 3.944 20 30 GHEDLO C=CCn1c(C)nn(C[N@@H+](CCC)[C@H](C)CC(=O)Nc2ccccc2)c1=S ZINC000799946999 933184742 /nfs/dbraw/zinc/18/47/42/933184742.db2.gz AUUKIYBXDLMUQS-MRXNPFEDSA-N 1 2 387.553 3.995 20 30 GHEDLO C=CCn1c(C)nn(C[N@H+](CCC)[C@H](C)CC(=O)Nc2ccccc2)c1=S ZINC000799946999 933184747 /nfs/dbraw/zinc/18/47/47/933184747.db2.gz AUUKIYBXDLMUQS-MRXNPFEDSA-N 1 2 387.553 3.995 20 30 GHEDLO N#CCc1ccc(S(=O)(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)cc1 ZINC001116222830 933413755 /nfs/dbraw/zinc/41/37/55/933413755.db2.gz PHTJZEQIOHVSHU-UHFFFAOYSA-N 1 2 380.473 3.630 20 30 GHEDLO COC[C@H](C)N[NH+]=CC1=C(N2CCOCC2)/C(=C/c2ccc(Cl)cc2)CC1 ZINC000777901790 934024467 /nfs/dbraw/zinc/02/44/67/934024467.db2.gz LXEIEMYYIPSSPQ-MKXWOTEESA-N 1 2 389.927 3.714 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC2(CC2(F)F)CC1 ZINC001121589624 934708409 /nfs/dbraw/zinc/70/84/09/934708409.db2.gz HNZOZYPMGZEVSH-MRXNPFEDSA-N 1 2 390.482 3.922 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC([C@H]2CCOC2)CC1 ZINC001121591443 934709548 /nfs/dbraw/zinc/70/95/48/934709548.db2.gz YXSAZWUCNFXXPJ-VQTJNVASSA-N 1 2 398.555 3.549 20 30 GHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc([C@H](C)CCC#N)n1CC ZINC001121869861 934781113 /nfs/dbraw/zinc/78/11/13/934781113.db2.gz ILSYVZRWNOZPEN-GOSISDBHSA-N 1 2 395.555 3.843 20 30 GHEDLO C=C(C)Cn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@@H](COC)C1 ZINC001122441264 934871209 /nfs/dbraw/zinc/87/12/09/934871209.db2.gz RKAXBCAMTWRBQJ-UYAOXDASSA-N 1 2 383.540 3.520 20 30 GHEDLO C=C(C)Cn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@@H](COC)C1 ZINC001122441264 934871214 /nfs/dbraw/zinc/87/12/14/934871214.db2.gz RKAXBCAMTWRBQJ-UYAOXDASSA-N 1 2 383.540 3.520 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCCO[C@H](c2ccccc2)C1 ZINC001122623398 934924544 /nfs/dbraw/zinc/92/45/44/934924544.db2.gz SRZSNJWZVVPZNC-RTWAWAEBSA-N 1 2 395.551 3.979 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCCO[C@H](c2ccccc2)C1 ZINC001122623398 934924549 /nfs/dbraw/zinc/92/45/49/934924549.db2.gz SRZSNJWZVVPZNC-RTWAWAEBSA-N 1 2 395.551 3.979 20 30 GHEDLO N#Cc1ccc(OCCNc2ccc(-c3ccc(-n4cc[nH+]c4)cc3)nn2)cc1 ZINC001171485079 1014964978 /nfs/dbraw/zinc/96/49/78/1014964978.db2.gz AQWQALMZUDUIBL-UHFFFAOYSA-N 1 2 382.427 3.692 20 30 GHEDLO C=CCc1c(O)ccc(C(C)=O)c1OC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001227120099 1032277148 /nfs/dbraw/zinc/27/71/48/1032277148.db2.gz DJTZYVGFKBWIKO-HXUWFJFHSA-N 1 2 395.499 3.993 20 30 GHEDLO C=CCc1c(O)ccc(C(C)=O)c1OC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001227120099 1032277162 /nfs/dbraw/zinc/27/71/62/1032277162.db2.gz DJTZYVGFKBWIKO-HXUWFJFHSA-N 1 2 395.499 3.993 20 30 GHEDLO C[N@@H+]1CC[C@@H](Oc2ccc(C=CC(O)=CC(=O)C=Cc3ccc(O)cc3)cc2)C1 ZINC001227593834 1032477712 /nfs/dbraw/zinc/47/77/12/1032477712.db2.gz STVWIEPFHQCORH-IBEJZYAPSA-N 1 2 391.467 3.730 20 30 GHEDLO C[N@H+]1CC[C@@H](Oc2ccc(C=CC(O)=CC(=O)C=Cc3ccc(O)cc3)cc2)C1 ZINC001227593834 1032477718 /nfs/dbraw/zinc/47/77/18/1032477718.db2.gz STVWIEPFHQCORH-IBEJZYAPSA-N 1 2 391.467 3.730 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1c(Cl)ccc(C)c1Cl)C2 ZINC001277230127 1032510762 /nfs/dbraw/zinc/51/07/62/1032510762.db2.gz SBGFFRQPFWKZFF-HXUWFJFHSA-N 1 2 397.346 3.929 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1c(Cl)ccc(C)c1Cl)C2 ZINC001277230127 1032510771 /nfs/dbraw/zinc/51/07/71/1032510771.db2.gz SBGFFRQPFWKZFF-HXUWFJFHSA-N 1 2 397.346 3.929 20 30 GHEDLO CC(C)(CC#N)CNC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC001221907022 1032568969 /nfs/dbraw/zinc/56/89/69/1032568969.db2.gz NPDUQPQKSUNYKJ-INIZCTEOSA-N 1 2 380.895 3.683 20 30 GHEDLO CC(C)(CC#N)CNC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC001221907022 1032568975 /nfs/dbraw/zinc/56/89/75/1032568975.db2.gz NPDUQPQKSUNYKJ-INIZCTEOSA-N 1 2 380.895 3.683 20 30 GHEDLO O=C1C=COC2(CC[NH+](Cc3nc(-c4cccc(C(F)(F)F)c4)no3)CC2)C1 ZINC000933658534 1018882026 /nfs/dbraw/zinc/88/20/26/1018882026.db2.gz UPCJVEXGTZEHIQ-UHFFFAOYSA-N 1 2 393.365 3.593 20 30 GHEDLO CC(C)(C)OC(=O)n1cc(C[N@@H+]2CCOC[C@H]2C2CC2)c2cc(C#N)ccc21 ZINC001140441342 1021716253 /nfs/dbraw/zinc/71/62/53/1021716253.db2.gz OGZSNMVIZRLUHE-FQEVSTJZSA-N 1 2 381.476 3.907 20 30 GHEDLO CC(C)(C)OC(=O)n1cc(C[N@H+]2CCOC[C@H]2C2CC2)c2cc(C#N)ccc21 ZINC001140441342 1021716259 /nfs/dbraw/zinc/71/62/59/1021716259.db2.gz OGZSNMVIZRLUHE-FQEVSTJZSA-N 1 2 381.476 3.907 20 30 GHEDLO COCCOc1cccc(N2CC[NH+](Cc3cccc(C#N)c3Cl)CC2)c1 ZINC001140812837 1022608138 /nfs/dbraw/zinc/60/81/38/1022608138.db2.gz NDJNSAVNIZPKMF-UHFFFAOYSA-N 1 2 385.895 3.559 20 30 GHEDLO COCC[N@H+](Cc1cccc(C#N)c1Cl)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140814452 1022612815 /nfs/dbraw/zinc/61/28/15/1022612815.db2.gz KRXKVUXZVDSRQQ-QGZVFWFLSA-N 1 2 393.915 3.669 20 30 GHEDLO COCC[N@@H+](Cc1cccc(C#N)c1Cl)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140814452 1022612825 /nfs/dbraw/zinc/61/28/25/1022612825.db2.gz KRXKVUXZVDSRQQ-QGZVFWFLSA-N 1 2 393.915 3.669 20 30 GHEDLO C#CCN(Cc1ccc(F)cc1)C(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000755190683 1023118192 /nfs/dbraw/zinc/11/81/92/1023118192.db2.gz DMQDOEORWVMGQB-UHFFFAOYSA-N 1 2 388.446 3.812 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@]1(C)CCC[N@H+](Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141108932 1023521521 /nfs/dbraw/zinc/52/15/21/1023521521.db2.gz JNLOHPVFYOTELX-KRWDZBQOSA-N 1 2 384.933 3.735 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@]1(C)CCC[N@@H+](Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141108932 1023521527 /nfs/dbraw/zinc/52/15/27/1023521527.db2.gz JNLOHPVFYOTELX-KRWDZBQOSA-N 1 2 384.933 3.735 20 30 GHEDLO N#Cc1c(N)sc(C[N@@H+]2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)c1Cl ZINC001141113431 1023529182 /nfs/dbraw/zinc/52/91/82/1023529182.db2.gz YNSSOCVYAKVNBX-PHIMTYICSA-N 1 2 381.892 3.885 20 30 GHEDLO N#Cc1c(N)sc(C[N@H+]2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)c1Cl ZINC001141113431 1023529186 /nfs/dbraw/zinc/52/91/86/1023529186.db2.gz YNSSOCVYAKVNBX-PHIMTYICSA-N 1 2 381.892 3.885 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1ccnc(-c2ccc(F)cc2)c1 ZINC001141119225 1023540868 /nfs/dbraw/zinc/54/08/68/1023540868.db2.gz MLRYLVAQKDYCBD-JOCHJYFZSA-N 1 2 392.478 3.923 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccnc(-c2ccc(F)cc2)c1 ZINC001141119225 1023540873 /nfs/dbraw/zinc/54/08/73/1023540873.db2.gz MLRYLVAQKDYCBD-JOCHJYFZSA-N 1 2 392.478 3.923 20 30 GHEDLO CC(C)NC(=O)c1ccccc1OC1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC001141166633 1023996934 /nfs/dbraw/zinc/99/69/34/1023996934.db2.gz BMVMPXOYPKSCBU-UHFFFAOYSA-N 1 2 395.478 3.879 20 30 GHEDLO C#CCOc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)CC2(C)C)cc1OC ZINC001138349160 1024711251 /nfs/dbraw/zinc/71/12/51/1024711251.db2.gz SUNSRJSRGNIEHB-UHFFFAOYSA-N 1 2 388.508 3.539 20 30 GHEDLO C#CCOc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)CC2(C)C)cc1OC ZINC001138349160 1024711260 /nfs/dbraw/zinc/71/12/60/1024711260.db2.gz SUNSRJSRGNIEHB-UHFFFAOYSA-N 1 2 388.508 3.539 20 30 GHEDLO C[N@H+](Cc1c(F)c(F)c(F)c(F)c1F)C1CCN(CC(F)(F)F)CC1 ZINC000832620326 1025772546 /nfs/dbraw/zinc/77/25/46/1025772546.db2.gz GYJQXLBPNMDDSI-UHFFFAOYSA-N 1 2 376.291 3.841 20 30 GHEDLO C[N@@H+](Cc1c(F)c(F)c(F)c(F)c1F)C1CCN(CC(F)(F)F)CC1 ZINC000832620326 1025772560 /nfs/dbraw/zinc/77/25/60/1025772560.db2.gz GYJQXLBPNMDDSI-UHFFFAOYSA-N 1 2 376.291 3.841 20 30 GHEDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001139132126 1025944501 /nfs/dbraw/zinc/94/45/01/1025944501.db2.gz UAFFDHHFBOCUAE-SFHVURJKSA-N 1 2 390.439 3.722 20 30 GHEDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001139132126 1025944506 /nfs/dbraw/zinc/94/45/06/1025944506.db2.gz UAFFDHHFBOCUAE-SFHVURJKSA-N 1 2 390.439 3.722 20 30 GHEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000839668971 1026186950 /nfs/dbraw/zinc/18/69/50/1026186950.db2.gz ALVPUCXTCBHKDX-FXAWDEMLSA-N 1 2 386.492 3.606 20 30 GHEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000839668971 1026186956 /nfs/dbraw/zinc/18/69/56/1026186956.db2.gz ALVPUCXTCBHKDX-FXAWDEMLSA-N 1 2 386.492 3.606 20 30 GHEDLO N#Cc1ccnc(-c2ccc(C[NH+]3CCN(C(=O)c4cccs4)CC3)cc2)c1 ZINC001139405654 1026277781 /nfs/dbraw/zinc/27/77/81/1026277781.db2.gz XQRXSALMJAERQH-UHFFFAOYSA-N 1 2 388.496 3.640 20 30 GHEDLO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3cccc(Cl)c3C#N)C[C@H]12 ZINC001139689723 1026542506 /nfs/dbraw/zinc/54/25/06/1026542506.db2.gz TYIJAPBGYBVOSO-XZOQPEGZSA-N 1 2 393.918 3.976 20 30 GHEDLO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@@H+](Cc3cccc(Cl)c3C#N)C[C@H]12 ZINC001139689723 1026542507 /nfs/dbraw/zinc/54/25/07/1026542507.db2.gz TYIJAPBGYBVOSO-XZOQPEGZSA-N 1 2 393.918 3.976 20 30 GHEDLO COc1ccc(OC)c(C[NH+]2CCN(Cc3cccc(Cl)c3C#N)CC2)c1 ZINC001139691524 1026543838 /nfs/dbraw/zinc/54/38/38/1026543838.db2.gz YGUMBCJTUAPMPU-UHFFFAOYSA-N 1 2 385.895 3.547 20 30 GHEDLO N#Cc1cccc2c(C[N@@H+]3CCc4onc(COc5cccnc5)c4C3)c[nH]c21 ZINC001139705642 1026551250 /nfs/dbraw/zinc/55/12/50/1026551250.db2.gz WYXQNAXNFTYRAK-UHFFFAOYSA-N 1 2 385.427 3.560 20 30 GHEDLO N#Cc1cccc2c(C[N@H+]3CCc4onc(COc5cccnc5)c4C3)c[nH]c21 ZINC001139705642 1026551256 /nfs/dbraw/zinc/55/12/56/1026551256.db2.gz WYXQNAXNFTYRAK-UHFFFAOYSA-N 1 2 385.427 3.560 20 30 GHEDLO O/N=C/c1cc(NCc2ccc(C[NH+]3CCOCC3)cc2)cc(C(F)(F)F)c1 ZINC001165398505 1026718741 /nfs/dbraw/zinc/71/87/41/1026718741.db2.gz PENBXZSGIXYHJT-DHRITJCHSA-N 1 2 393.409 3.958 20 30 GHEDLO N#Cc1ccc2cc[nH+]c(N3CCC4(CC3)C(=O)NC[C@@H]4c3ccccc3)c2c1 ZINC001166022452 1026900492 /nfs/dbraw/zinc/90/04/92/1026900492.db2.gz USRMXEFZROCSMZ-OAQYLSRUSA-N 1 2 382.467 3.607 20 30 GHEDLO N#CCCN1CC[NH+](Cc2cnc(-c3ccc(C(F)(F)F)cc3)s2)CC1 ZINC001140215700 1026992181 /nfs/dbraw/zinc/99/21/81/1026992181.db2.gz HZECDCPMLVJTJI-UHFFFAOYSA-N 1 2 380.439 3.860 20 30 GHEDLO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1nc(C(F)(F)F)cs1)C2 ZINC001141758244 1027132545 /nfs/dbraw/zinc/13/25/45/1027132545.db2.gz CVFADAMZHTUBSZ-GOEBONIOSA-N 1 2 376.444 3.736 20 30 GHEDLO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1nc(C(F)(F)F)cs1)C2 ZINC001141758244 1027132551 /nfs/dbraw/zinc/13/25/51/1027132551.db2.gz CVFADAMZHTUBSZ-GOEBONIOSA-N 1 2 376.444 3.736 20 30 GHEDLO CCOC(=O)C[C@@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)C[C@H]1C ZINC001141818451 1027354941 /nfs/dbraw/zinc/35/49/41/1027354941.db2.gz CZVNTELVCJOLBG-KGLIPLIRSA-N 1 2 379.298 3.732 20 30 GHEDLO CCOC(=O)C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)C[C@H]1C ZINC001141818451 1027354956 /nfs/dbraw/zinc/35/49/56/1027354956.db2.gz CZVNTELVCJOLBG-KGLIPLIRSA-N 1 2 379.298 3.732 20 30 GHEDLO CCOC(=O)C[C@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)C[C@H]1C ZINC001141818453 1027355106 /nfs/dbraw/zinc/35/51/06/1027355106.db2.gz CZVNTELVCJOLBG-ZIAGYGMSSA-N 1 2 379.298 3.732 20 30 GHEDLO CCOC(=O)C[C@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)C[C@H]1C ZINC001141818453 1027355124 /nfs/dbraw/zinc/35/51/24/1027355124.db2.gz CZVNTELVCJOLBG-ZIAGYGMSSA-N 1 2 379.298 3.732 20 30 GHEDLO CSc1ccc(CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1C#N ZINC001210922751 1027706235 /nfs/dbraw/zinc/70/62/35/1027706235.db2.gz ZRJUSUNSCAOHAH-UHFFFAOYSA-N 1 2 391.500 3.524 20 30 GHEDLO CCOC(=O)CCCc1[nH+]c2cc(Nc3ccc(C#N)cc3N)ccc2n1C ZINC001213361717 1028136312 /nfs/dbraw/zinc/13/63/12/1028136312.db2.gz ZHKOXRMIECQSEX-UHFFFAOYSA-N 1 2 377.448 3.657 20 30 GHEDLO CC(C)(C)OC(=O)NCc1ccc(C(N)=[NH+]OC[C@H]2CCC(F)(F)C2)cc1 ZINC000842042230 1029038475 /nfs/dbraw/zinc/03/84/75/1029038475.db2.gz NBIKBULWOROGPE-AWEZNQCLSA-N 1 2 383.439 3.784 20 30 GHEDLO Cc1cccc(N2C[C@@]3(CC[N@H+](Cc4c(F)ccc(C#N)c4F)C3)CC2=O)c1 ZINC001143169501 1029879904 /nfs/dbraw/zinc/87/99/04/1029879904.db2.gz HMYOXKMTYBEJEI-QFIPXVFZSA-N 1 2 381.426 3.774 20 30 GHEDLO Cc1cccc(N2C[C@@]3(CC[N@@H+](Cc4c(F)ccc(C#N)c4F)C3)CC2=O)c1 ZINC001143169501 1029879911 /nfs/dbraw/zinc/87/99/11/1029879911.db2.gz HMYOXKMTYBEJEI-QFIPXVFZSA-N 1 2 381.426 3.774 20 30 GHEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H]3O[C@H](COCc4ccccn4)CC[C@H]32)c1F ZINC001143169667 1029880230 /nfs/dbraw/zinc/88/02/30/1029880230.db2.gz NKXTXNKATDGYGW-IOMROCGXSA-N 1 2 399.441 3.570 20 30 GHEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H]3O[C@H](COCc4ccccn4)CC[C@H]32)c1F ZINC001143169667 1029880237 /nfs/dbraw/zinc/88/02/37/1029880237.db2.gz NKXTXNKATDGYGW-IOMROCGXSA-N 1 2 399.441 3.570 20 30 GHEDLO N#CC1(CC(=O)Nc2ccc(O[C@H]3CC[NH2+]CC3(F)F)cc2)CCCCC1 ZINC001219455804 1031429003 /nfs/dbraw/zinc/42/90/03/1031429003.db2.gz AFNBAOFURMWQII-KRWDZBQOSA-N 1 2 377.435 3.865 20 30 GHEDLO N#Cc1ccc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1C(F)(F)F ZINC001226139473 1031808098 /nfs/dbraw/zinc/80/80/98/1031808098.db2.gz CUTBNFORBXDQNJ-SFHVURJKSA-N 1 2 376.378 3.857 20 30 GHEDLO N#Cc1ccc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1C(F)(F)F ZINC001226139473 1031808116 /nfs/dbraw/zinc/80/81/16/1031808116.db2.gz CUTBNFORBXDQNJ-SFHVURJKSA-N 1 2 376.378 3.857 20 30 GHEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2cc(Br)cc(OCC)c2)C1=O ZINC001277113268 1031888961 /nfs/dbraw/zinc/88/89/61/1031888961.db2.gz YMLFCOPJBUVXGD-IBGZPJMESA-N 1 2 393.325 3.601 20 30 GHEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(Br)cc(OCC)c2)C1=O ZINC001277113268 1031888972 /nfs/dbraw/zinc/88/89/72/1031888972.db2.gz YMLFCOPJBUVXGD-IBGZPJMESA-N 1 2 393.325 3.601 20 30 GHEDLO CC(C)(C)OC(=O)c1ccc(N2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)cc1 ZINC001205496614 1033442089 /nfs/dbraw/zinc/44/20/89/1033442089.db2.gz HQMMVXIJKZVYNT-UHFFFAOYSA-N 1 2 395.478 3.975 20 30 GHEDLO COCC[C@H](C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1)NC(=O)OC(C)(C)C ZINC001461879618 1069825947 /nfs/dbraw/zinc/82/59/47/1069825947.db2.gz GUWKVYOIUQWYOE-HSALFYBXSA-N 1 2 387.524 3.688 20 30 GHEDLO COCC[C@H](C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1)NC(=O)OC(C)(C)C ZINC001461879618 1069825971 /nfs/dbraw/zinc/82/59/71/1069825971.db2.gz GUWKVYOIUQWYOE-HSALFYBXSA-N 1 2 387.524 3.688 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC2(CC(C[N@@H+]3CC[C@@H]4SC(=O)C=C4C3)C2)CC1 ZINC001207803592 1034583206 /nfs/dbraw/zinc/58/32/06/1034583206.db2.gz BDZOFUDQZQFFQS-KRWDZBQOSA-N 1 2 392.565 3.688 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC2(CC(C[N@H+]3CC[C@@H]4SC(=O)C=C4C3)C2)CC1 ZINC001207803592 1034583215 /nfs/dbraw/zinc/58/32/15/1034583215.db2.gz BDZOFUDQZQFFQS-KRWDZBQOSA-N 1 2 392.565 3.688 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2cccc(OC)c2Br)C1=O ZINC001277540289 1034753512 /nfs/dbraw/zinc/75/35/12/1034753512.db2.gz JLYWUOSZMHCTAT-LJQANCHMSA-N 1 2 393.325 3.601 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+]2Cc2cccc(OC)c2Br)C1=O ZINC001277540289 1034753519 /nfs/dbraw/zinc/75/35/19/1034753519.db2.gz JLYWUOSZMHCTAT-LJQANCHMSA-N 1 2 393.325 3.601 20 30 GHEDLO Cn1nc(C(F)F)c(C[N@@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)c1Cl ZINC001232055461 1035067336 /nfs/dbraw/zinc/06/73/36/1035067336.db2.gz BJCFCVLOWXGBGK-CYBMUJFWSA-N 1 2 380.826 3.926 20 30 GHEDLO Cn1nc(C(F)F)c(C[N@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)c1Cl ZINC001232055461 1035067343 /nfs/dbraw/zinc/06/73/43/1035067343.db2.gz BJCFCVLOWXGBGK-CYBMUJFWSA-N 1 2 380.826 3.926 20 30 GHEDLO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1c(F)cncc1Br)C2 ZINC001232127541 1035111335 /nfs/dbraw/zinc/11/13/35/1035111335.db2.gz RKFJNKTWDRXANP-MSOLQXFVSA-N 1 2 399.304 3.557 20 30 GHEDLO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1c(F)cncc1Br)C2 ZINC001232127541 1035111339 /nfs/dbraw/zinc/11/13/39/1035111339.db2.gz RKFJNKTWDRXANP-MSOLQXFVSA-N 1 2 399.304 3.557 20 30 GHEDLO Cc1cc(-c2noc([C@H]3[NH2+]CCc4cc(Br)ccc43)n2)ccc1C#N ZINC001248631343 1036009889 /nfs/dbraw/zinc/00/98/89/1036009889.db2.gz VKMLXFHSOHYSOM-KRWDZBQOSA-N 1 2 395.260 3.914 20 30 GHEDLO COc1c(C[N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)ccc(Cl)c1Cl ZINC001248641732 1036021941 /nfs/dbraw/zinc/02/19/41/1036021941.db2.gz QTSUCAKXNOEVFP-UHFFFAOYSA-N 1 2 391.302 3.981 20 30 GHEDLO COc1c(C[N@H+]2CCCN(c3ccc(C#N)cn3)CC2)ccc(Cl)c1Cl ZINC001248641732 1036021956 /nfs/dbraw/zinc/02/19/56/1036021956.db2.gz QTSUCAKXNOEVFP-UHFFFAOYSA-N 1 2 391.302 3.981 20 30 GHEDLO N#Cc1ccc(NC(=S)NCc2c[nH+]c3ccc(F)cn23)cc1C(F)(F)F ZINC001245809908 1037008364 /nfs/dbraw/zinc/00/83/64/1037008364.db2.gz AEYSZUFHECYLAU-UHFFFAOYSA-N 1 2 393.369 3.850 20 30 GHEDLO N#Cc1ccc(NC(=S)NCc2c[nH+]cn2Cc2ccccc2Cl)cc1 ZINC001245956206 1037078573 /nfs/dbraw/zinc/07/85/73/1037078573.db2.gz QAGYIJQUQNEQQW-UHFFFAOYSA-N 1 2 381.892 3.943 20 30 GHEDLO CCN1C(=O)[C@H](c2ccccc2)CC12CC[NH+](Cc1cc(C#N)ccc1O)CC2 ZINC001232676285 1038472831 /nfs/dbraw/zinc/47/28/31/1038472831.db2.gz HHQYMKLUCLPZPA-NRFANRHFSA-N 1 2 389.499 3.634 20 30 GHEDLO N#Cc1ccc(O)c(C[NH+]2CCC3(CCC(CC(=O)N4CC=CC4)CC3)CC2)c1 ZINC001232678220 1038476563 /nfs/dbraw/zinc/47/65/63/1038476563.db2.gz ZHKQVWWFLULIJS-UHFFFAOYSA-N 1 2 393.531 3.825 20 30 GHEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(O)(c2ccc(Br)cc2)CC1 ZINC001232889530 1038675227 /nfs/dbraw/zinc/67/52/27/1038675227.db2.gz JPHOPJAEFLZUQV-UHFFFAOYSA-N 1 2 389.268 3.943 20 30 GHEDLO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3cc(O)c(F)c(F)c3)CC2)C1 ZINC001232967997 1038741505 /nfs/dbraw/zinc/74/15/05/1038741505.db2.gz DMPYWOUWFZPFFN-UHFFFAOYSA-N 1 2 380.435 3.671 20 30 GHEDLO COc1ccc(C[N@@H+]2CCCC[C@H]2CN(C)Cc2ccc(C#N)cc2O)cc1 ZINC001233387781 1039212322 /nfs/dbraw/zinc/21/23/22/1039212322.db2.gz YCKBQTKCHOCXLU-NRFANRHFSA-N 1 2 379.504 3.759 20 30 GHEDLO COc1ccc(C[N@H+]2CCCC[C@H]2CN(C)Cc2ccc(C#N)cc2O)cc1 ZINC001233387781 1039212329 /nfs/dbraw/zinc/21/23/29/1039212329.db2.gz YCKBQTKCHOCXLU-NRFANRHFSA-N 1 2 379.504 3.759 20 30 GHEDLO COc1cc(O)c(C(=O)/C=C/c2ccccc2)c(O[C@H]2C[NH+]3CCC2CC3)c1 ZINC001233817274 1039640275 /nfs/dbraw/zinc/64/02/75/1039640275.db2.gz VENRVXXSRPSSHJ-DORXLWPQSA-N 1 2 379.456 3.770 20 30 GHEDLO N#CC1(c2ccc(F)cc2)CCC([N@@H+]2CCN(c3ccccc3)C(=O)C2)CC1 ZINC001254355640 1040188454 /nfs/dbraw/zinc/18/84/54/1040188454.db2.gz IYPRGOCDRSBJOX-UHFFFAOYSA-N 1 2 377.463 3.878 20 30 GHEDLO N#CC1(c2ccc(F)cc2)CCC([N@H+]2CCN(c3ccccc3)C(=O)C2)CC1 ZINC001254355640 1040188459 /nfs/dbraw/zinc/18/84/59/1040188459.db2.gz IYPRGOCDRSBJOX-UHFFFAOYSA-N 1 2 377.463 3.878 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2ncccc2C(=O)c2ccccc2)C1 ZINC001234662415 1040197524 /nfs/dbraw/zinc/19/75/24/1040197524.db2.gz DTKJFJWQKKTCDM-OAQYLSRUSA-N 1 2 383.451 3.838 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2ncccc2C(=O)c2ccccc2)C1 ZINC001234662415 1040197534 /nfs/dbraw/zinc/19/75/34/1040197534.db2.gz DTKJFJWQKKTCDM-OAQYLSRUSA-N 1 2 383.451 3.838 20 30 GHEDLO C=CCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2nc(-c3ccc(F)cc3)cs2)C1 ZINC001254559016 1040329678 /nfs/dbraw/zinc/32/96/78/1040329678.db2.gz XSCNAKXMMSMAPB-XJKSGUPXSA-N 1 2 375.469 3.553 20 30 GHEDLO C=CCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2nc(-c3ccc(F)cc3)cs2)C1 ZINC001254559016 1040329688 /nfs/dbraw/zinc/32/96/88/1040329688.db2.gz XSCNAKXMMSMAPB-XJKSGUPXSA-N 1 2 375.469 3.553 20 30 GHEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)Cc1ccsc1 ZINC001278867084 1041060156 /nfs/dbraw/zinc/06/01/56/1041060156.db2.gz AYSCQPGGJXHKEM-OALUTQOASA-N 1 2 385.920 3.691 20 30 GHEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)Cc1ccsc1 ZINC001278867084 1041060165 /nfs/dbraw/zinc/06/01/65/1041060165.db2.gz AYSCQPGGJXHKEM-OALUTQOASA-N 1 2 385.920 3.691 20 30 GHEDLO N#Cc1cc(F)c(C[N@@H+]2CC[C@H]3O[C@@H](COCc4cccnc4)CC[C@H]32)c(F)c1 ZINC001235654934 1041102639 /nfs/dbraw/zinc/10/26/39/1041102639.db2.gz RVCZSZXIYXRXGV-ZPMCFJSWSA-N 1 2 399.441 3.570 20 30 GHEDLO N#Cc1cc(F)c(C[N@H+]2CC[C@H]3O[C@@H](COCc4cccnc4)CC[C@H]32)c(F)c1 ZINC001235654934 1041102670 /nfs/dbraw/zinc/10/26/70/1041102670.db2.gz RVCZSZXIYXRXGV-ZPMCFJSWSA-N 1 2 399.441 3.570 20 30 GHEDLO CC(C)(C)OC(=O)C1CC[NH+](Cc2ccc(C#N)c(Br)c2)CC1 ZINC001236862909 1041933004 /nfs/dbraw/zinc/93/30/04/1041933004.db2.gz DFERBDRBGPXKAB-UHFFFAOYSA-N 1 2 379.298 3.874 20 30 GHEDLO N#Cc1cc(C[N@@H+]2CCCN(c3ncccc3C(F)(F)F)CC2)c(F)cc1F ZINC001237534753 1042254625 /nfs/dbraw/zinc/25/46/25/1042254625.db2.gz RBVOWLIRFLEFFQ-UHFFFAOYSA-N 1 2 396.363 3.963 20 30 GHEDLO N#Cc1cc(C[N@H+]2CCCN(c3ncccc3C(F)(F)F)CC2)c(F)cc1F ZINC001237534753 1042254628 /nfs/dbraw/zinc/25/46/28/1042254628.db2.gz RBVOWLIRFLEFFQ-UHFFFAOYSA-N 1 2 396.363 3.963 20 30 GHEDLO N#Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3scnc3Br)C2)c1 ZINC001238032436 1042467352 /nfs/dbraw/zinc/46/73/52/1042467352.db2.gz KVFLTMTWHWFJNE-CQSZACIVSA-N 1 2 378.295 3.821 20 30 GHEDLO N#Cc1cccc(O[C@@H]2CCC[N@H+](Cc3scnc3Br)C2)c1 ZINC001238032436 1042467353 /nfs/dbraw/zinc/46/73/53/1042467353.db2.gz KVFLTMTWHWFJNE-CQSZACIVSA-N 1 2 378.295 3.821 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1ccc(C#N)c(CC)c1)CC2 ZINC001238760864 1042717616 /nfs/dbraw/zinc/71/76/16/1042717616.db2.gz QNADQSJHNUVMRN-UHFFFAOYSA-N 1 2 390.531 3.988 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1ccc(C#N)c(CC)c1)CC2 ZINC001238760864 1042717622 /nfs/dbraw/zinc/71/76/22/1042717622.db2.gz QNADQSJHNUVMRN-UHFFFAOYSA-N 1 2 390.531 3.988 20 30 GHEDLO Cc1cncc(COCc2cnc3n2CC[N@H+](C2CCC(C#N)CC2)[C@@H]3C)c1 ZINC001256967844 1043777338 /nfs/dbraw/zinc/77/73/38/1043777338.db2.gz KOUYOXQUJLHFTQ-PGYGNJIDSA-N 1 2 379.508 3.762 20 30 GHEDLO Cc1cncc(COCc2cnc3n2CC[N@@H+](C2CCC(C#N)CC2)[C@@H]3C)c1 ZINC001256967844 1043777342 /nfs/dbraw/zinc/77/73/42/1043777342.db2.gz KOUYOXQUJLHFTQ-PGYGNJIDSA-N 1 2 379.508 3.762 20 30 GHEDLO C#CC[N@H+]1CCCN(C(=O)c2oc3c(cc(Br)cc3C)c2C)CC1 ZINC001293715732 1044311867 /nfs/dbraw/zinc/31/18/67/1044311867.db2.gz LFOMNAZKIVKTLL-UHFFFAOYSA-N 1 2 389.293 3.593 20 30 GHEDLO C#CC[N@@H+]1CCCN(C(=O)c2oc3c(cc(Br)cc3C)c2C)CC1 ZINC001293715732 1044311875 /nfs/dbraw/zinc/31/18/75/1044311875.db2.gz LFOMNAZKIVKTLL-UHFFFAOYSA-N 1 2 389.293 3.593 20 30 GHEDLO CCCCCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC001298231899 1045743144 /nfs/dbraw/zinc/74/31/44/1045743144.db2.gz MEMUTXKSQHSDFM-FUHWJXTLSA-N 1 2 392.544 3.568 20 30 GHEDLO N#Cc1ccc(C2CCN(C(=O)c3c[nH+]ccc3Nc3ccccc3)CC2)nc1 ZINC001301181067 1046390964 /nfs/dbraw/zinc/39/09/64/1046390964.db2.gz HBUZEKMDRPPYQS-UHFFFAOYSA-N 1 2 383.455 3.534 20 30 GHEDLO C=CCN(C)c1nnc(-c2cccc(C)n2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001301289376 1046456463 /nfs/dbraw/zinc/45/64/63/1046456463.db2.gz CSKODLAGPAEMME-UHFFFAOYSA-N 1 2 391.523 3.560 20 30 GHEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(C)[C@H](C)c1sc(CC)nc1C ZINC001263288520 1046683955 /nfs/dbraw/zinc/68/39/55/1046683955.db2.gz VBMGIRYWOPHFKT-OAHLLOKOSA-N 1 2 399.568 3.703 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[C@H](COc2ccccc2)C1 ZINC001263301324 1046699120 /nfs/dbraw/zinc/69/91/20/1046699120.db2.gz NDYOKHAMUCKCRW-AZUAARDMSA-N 1 2 381.524 3.526 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[C@H](COc2ccccc2)C1 ZINC001263301324 1046699127 /nfs/dbraw/zinc/69/91/27/1046699127.db2.gz NDYOKHAMUCKCRW-AZUAARDMSA-N 1 2 381.524 3.526 20 30 GHEDLO CC(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCCC(F)(F)CC1 ZINC001263418372 1046801297 /nfs/dbraw/zinc/80/12/97/1046801297.db2.gz CXTIQSNWMUMUGS-UHFFFAOYSA-N 1 2 394.514 3.653 20 30 GHEDLO C=CC1CCN(c2nnc([C@@H](CC(C)C)n3cc[nH+]c3)n2C[C@H]2CCOC2)CC1 ZINC001263563800 1046949695 /nfs/dbraw/zinc/94/96/95/1046949695.db2.gz NEJLKNUJMWBWKQ-WOJBJXKFSA-N 1 2 398.555 3.549 20 30 GHEDLO C#C[C@@H](C)N(C)c1nnc([C@@H](C)CC)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001286275639 1048246727 /nfs/dbraw/zinc/24/67/27/1048246727.db2.gz SUYIIDXCKIRNEB-ZWKOTPCHSA-N 1 2 376.508 3.543 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC2(C)CC2)CC1 ZINC001286474437 1048336861 /nfs/dbraw/zinc/33/68/61/1048336861.db2.gz FAGREBWYBXOTLB-UHFFFAOYSA-N 1 2 383.927 3.544 20 30 GHEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC001307445869 1049282753 /nfs/dbraw/zinc/28/27/53/1049282753.db2.gz MDFYYBSUWLGKJC-HNNXBMFYSA-N 1 2 377.271 3.663 20 30 GHEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC001307445869 1049282764 /nfs/dbraw/zinc/28/27/64/1049282764.db2.gz MDFYYBSUWLGKJC-HNNXBMFYSA-N 1 2 377.271 3.663 20 30 GHEDLO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC001307859350 1049642754 /nfs/dbraw/zinc/64/27/54/1049642754.db2.gz XJWOHAROIDHRLA-ZFWWWQNUSA-N 1 2 391.899 3.592 20 30 GHEDLO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC001307859350 1049642769 /nfs/dbraw/zinc/64/27/69/1049642769.db2.gz XJWOHAROIDHRLA-ZFWWWQNUSA-N 1 2 391.899 3.592 20 30 GHEDLO C=CC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 ZINC001308141060 1049880418 /nfs/dbraw/zinc/88/04/18/1049880418.db2.gz OYISHLMQWHGBPV-UONOGXRCSA-N 1 2 376.522 3.781 20 30 GHEDLO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 ZINC001308141060 1049880422 /nfs/dbraw/zinc/88/04/22/1049880422.db2.gz OYISHLMQWHGBPV-UONOGXRCSA-N 1 2 376.522 3.781 20 30 GHEDLO CN(C)c1ccc(C#N)cc1C[N@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC001308566955 1050013242 /nfs/dbraw/zinc/01/32/42/1050013242.db2.gz YXUUHRPDZDIBDZ-HXUWFJFHSA-N 1 2 382.895 3.515 20 30 GHEDLO CN(C)c1ccc(C#N)cc1C[N@@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC001308566955 1050013246 /nfs/dbraw/zinc/01/32/46/1050013246.db2.gz YXUUHRPDZDIBDZ-HXUWFJFHSA-N 1 2 382.895 3.515 20 30 GHEDLO C=CC[N@@H+](CCc1ccco1)Cc1cn(-c2ccccc2Br)nn1 ZINC001308641784 1050044823 /nfs/dbraw/zinc/04/48/23/1050044823.db2.gz NFGJYSUCLGKIME-UHFFFAOYSA-N 1 2 387.281 3.854 20 30 GHEDLO C=CC[N@H+](CCc1ccco1)Cc1cn(-c2ccccc2Br)nn1 ZINC001308641784 1050044827 /nfs/dbraw/zinc/04/48/27/1050044827.db2.gz NFGJYSUCLGKIME-UHFFFAOYSA-N 1 2 387.281 3.854 20 30 GHEDLO CN(C)c1nc(C[NH2+]Cc2ccc(CC#N)cc2)c(Cl)n1-c1ccccc1 ZINC001308837243 1050115820 /nfs/dbraw/zinc/11/58/20/1050115820.db2.gz ZOVUZMPJFLMNAX-UHFFFAOYSA-N 1 2 379.895 3.948 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 ZINC001342329007 1053110210 /nfs/dbraw/zinc/11/02/10/1053110210.db2.gz MFHQDPSKODYUKC-PMACEKPBSA-N 1 2 399.514 3.728 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 ZINC001342329007 1053110214 /nfs/dbraw/zinc/11/02/14/1053110214.db2.gz MFHQDPSKODYUKC-PMACEKPBSA-N 1 2 399.514 3.728 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCCO[C@@H](C)C1 ZINC001343456791 1053782799 /nfs/dbraw/zinc/78/27/99/1053782799.db2.gz IOKSXLMKEJUZJB-OALUTQOASA-N 1 2 383.540 3.662 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCCO[C@@H](C)C1 ZINC001343456791 1053782805 /nfs/dbraw/zinc/78/28/05/1053782805.db2.gz IOKSXLMKEJUZJB-OALUTQOASA-N 1 2 383.540 3.662 20 30 GHEDLO CC(C)[N@@H+]1CCC[C@@H]1C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC001343495538 1053812595 /nfs/dbraw/zinc/81/25/95/1053812595.db2.gz PMQRIOPXMKIEFT-LSDHHAIUSA-N 1 2 381.448 3.521 20 30 GHEDLO CC(C)[N@H+]1CCC[C@@H]1C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC001343495538 1053812615 /nfs/dbraw/zinc/81/26/15/1053812615.db2.gz PMQRIOPXMKIEFT-LSDHHAIUSA-N 1 2 381.448 3.521 20 30 GHEDLO CC(C)C[C@H](c1nnc(N(C)C[C@@H](C)C#N)n1Cc1cccs1)n1cc[nH+]c1 ZINC001343512444 1053830582 /nfs/dbraw/zinc/83/05/82/1053830582.db2.gz LMATTYPJTLHIOZ-FUHWJXTLSA-N 1 2 397.552 3.816 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2(C)CCCC2)CC1 ZINC001300691189 1056886796 /nfs/dbraw/zinc/88/67/96/1056886796.db2.gz ZCXODZSTSSREOB-UHFFFAOYSA-N 1 2 397.954 3.934 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCCC2(C)C)CC1 ZINC001300693068 1056892983 /nfs/dbraw/zinc/89/29/83/1056892983.db2.gz RAMJZXASEBCDIT-FQEVSTJZSA-N 1 2 391.563 3.835 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)c(C#N)c1C ZINC001324284888 1057104535 /nfs/dbraw/zinc/10/45/35/1057104535.db2.gz HJDBNGNBEDIISQ-ZBFHGGJFSA-N 1 2 391.475 3.851 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)c(C#N)c1C ZINC001324284888 1057104536 /nfs/dbraw/zinc/10/45/36/1057104536.db2.gz HJDBNGNBEDIISQ-ZBFHGGJFSA-N 1 2 391.475 3.851 20 30 GHEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3ccc(OCC#N)cc3)CC2)c1 ZINC001326427710 1057480764 /nfs/dbraw/zinc/48/07/64/1057480764.db2.gz AYUHZJJGVXQKFG-QGZVFWFLSA-N 1 2 394.475 3.508 20 30 GHEDLO COC(=O)c1sc2ncc(C(=O)/C=C\c3ccc[nH+]c3N(C)C)cc2c1C ZINC001326691105 1057535490 /nfs/dbraw/zinc/53/54/90/1057535490.db2.gz VCHFUIXIZOSZDG-FPLPWBNLSA-N 1 2 381.457 3.748 20 30 GHEDLO N#Cc1cc(C(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)co1 ZINC001357204534 1057634284 /nfs/dbraw/zinc/63/42/84/1057634284.db2.gz ZNEMFSGAPVZYRN-IBGZPJMESA-N 1 2 377.469 3.742 20 30 GHEDLO N#Cc1cc(C(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)co1 ZINC001357204534 1057634289 /nfs/dbraw/zinc/63/42/89/1057634289.db2.gz ZNEMFSGAPVZYRN-IBGZPJMESA-N 1 2 377.469 3.742 20 30 GHEDLO C#CCC1(c2nnc(N3CCC(Nc4cccc[nH+]4)CC3)n2C)CCCCC1 ZINC001338460340 1058580167 /nfs/dbraw/zinc/58/01/67/1058580167.db2.gz GNOGXVHKXQGXPY-UHFFFAOYSA-N 1 2 378.524 3.516 20 30 GHEDLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)Nc1cccc(C#Cc2ccccn2)c1 ZINC001440870162 1058645015 /nfs/dbraw/zinc/64/50/15/1058645015.db2.gz FUTDBSBFHPMZTK-GOSISDBHSA-N 1 2 384.361 3.810 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@H]1[C@H](C)c1ccccc1 ZINC001339094350 1058957247 /nfs/dbraw/zinc/95/72/47/1058957247.db2.gz FEKJZPUOTKCSFZ-MJGOQNOKSA-N 1 2 376.508 3.561 20 30 GHEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)[C@@H](C)c1cccs1 ZINC001339484394 1059246665 /nfs/dbraw/zinc/24/66/65/1059246665.db2.gz GALWEGBEDJDUBY-HOTGVXAUSA-N 1 2 375.542 3.505 20 30 GHEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)[C@@H](C)c1cccs1 ZINC001339484394 1059246676 /nfs/dbraw/zinc/24/66/76/1059246676.db2.gz GALWEGBEDJDUBY-HOTGVXAUSA-N 1 2 375.542 3.505 20 30 GHEDLO Cc1ccc(C(=O)/C=C/C(=O)Nc2nc3c(s2)C[N@@H+](C(C)(C)C)CC3)cc1 ZINC001451877998 1060855481 /nfs/dbraw/zinc/85/54/81/1060855481.db2.gz GRLVWGLTXBOIHQ-MDZDMXLPSA-N 1 2 383.517 3.986 20 30 GHEDLO Cc1ccc(C(=O)/C=C/C(=O)Nc2nc3c(s2)C[N@H+](C(C)(C)C)CC3)cc1 ZINC001451877998 1060855498 /nfs/dbraw/zinc/85/54/98/1060855498.db2.gz GRLVWGLTXBOIHQ-MDZDMXLPSA-N 1 2 383.517 3.986 20 30 GHEDLO CCN(Cc1cccs1)c1nnc(C2CC[NH+](CCC#N)CC2)n1CC1CC1 ZINC001346861132 1061943729 /nfs/dbraw/zinc/94/37/29/1061943729.db2.gz RMKYXEDYIAPVSO-UHFFFAOYSA-N 1 2 398.580 3.869 20 30 GHEDLO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001457892980 1063426324 /nfs/dbraw/zinc/42/63/24/1063426324.db2.gz HQRXNRFEEHMVOU-CYBMUJFWSA-N 1 2 386.311 3.888 20 30 GHEDLO O=C(N[C@@H]1CCC[N@H+](CCF)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001457892980 1063426333 /nfs/dbraw/zinc/42/63/33/1063426333.db2.gz HQRXNRFEEHMVOU-CYBMUJFWSA-N 1 2 386.311 3.888 20 30 GHEDLO N#Cc1cnn2c1[nH]c(C[N@H+]1CCC[C@H]1c1ccc(Cl)c(Cl)c1)cc2=O ZINC001459335767 1064065975 /nfs/dbraw/zinc/06/59/75/1064065975.db2.gz LMIRHRXZTTXPRC-INIZCTEOSA-N 1 2 388.258 3.950 20 30 GHEDLO N#Cc1cnn2c1[nH]c(C[N@@H+]1CCC[C@H]1c1ccc(Cl)c(Cl)c1)cc2=O ZINC001459335767 1064065979 /nfs/dbraw/zinc/06/59/79/1064065979.db2.gz LMIRHRXZTTXPRC-INIZCTEOSA-N 1 2 388.258 3.950 20 30 GHEDLO N#C[C@H]1C[C@H]1C(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC001464711341 1065170333 /nfs/dbraw/zinc/17/03/33/1065170333.db2.gz AXNPIEIPMASDFK-QFUCXCTJSA-N 1 2 379.891 3.733 20 30 GHEDLO CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000847412447 1065246626 /nfs/dbraw/zinc/24/66/26/1065246626.db2.gz QUHOBBKNDFACBF-QGZVFWFLSA-N 1 2 397.479 3.992 20 30 GHEDLO COc1ccccc1C[NH+]1CCN(C(=O)Nc2ccc(C#N)cc2C2CC2)CC1 ZINC001467444593 1067300174 /nfs/dbraw/zinc/30/01/74/1067300174.db2.gz DFZVIMBUFSRHCY-UHFFFAOYSA-N 1 2 390.487 3.794 20 30 GHEDLO C#CC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H]1CCCc2ccccc21 ZINC001473826571 1067576293 /nfs/dbraw/zinc/57/62/93/1067576293.db2.gz SIGYJLLOQDDFLM-LJQANCHMSA-N 1 2 377.444 3.855 20 30 GHEDLO C#CC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H]1CCCc2ccccc21 ZINC001473826571 1067576301 /nfs/dbraw/zinc/57/63/01/1067576301.db2.gz SIGYJLLOQDDFLM-LJQANCHMSA-N 1 2 377.444 3.855 20 30 GHEDLO C#CCN(C)c1nnc(-c2ccccc2Cl)n1CCc1cn2ccccc2[nH+]1 ZINC001358944858 1067625582 /nfs/dbraw/zinc/62/55/82/1067625582.db2.gz KTKOHEXEHAKZGO-UHFFFAOYSA-N 1 2 390.878 3.558 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCCC2(C)C)CC1 ZINC001359037242 1067660755 /nfs/dbraw/zinc/66/07/55/1067660755.db2.gz AYBGHVAJRWLVRG-IBGZPJMESA-N 1 2 397.592 3.512 20 30 GHEDLO C#C[C@@H](NC(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@@H]1C)c1ccccc1 ZINC001470663413 1072674827 /nfs/dbraw/zinc/67/48/27/1072674827.db2.gz RQVHHMMPVDRSEV-SIKLNZKXSA-N 1 2 391.515 3.676 20 30 GHEDLO C#C[C@@H](NC(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@@H]1C)c1ccccc1 ZINC001470663413 1072674842 /nfs/dbraw/zinc/67/48/42/1072674842.db2.gz RQVHHMMPVDRSEV-SIKLNZKXSA-N 1 2 391.515 3.676 20 30 GHEDLO CC(C)(C(=O)NCCn1c[nH+]cc1-c1ccccc1)c1cc(F)cc(C#N)c1 ZINC001470712256 1072697749 /nfs/dbraw/zinc/69/77/49/1072697749.db2.gz FNVJKWKJBFGCSI-UHFFFAOYSA-N 1 2 376.435 3.655 20 30 GHEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2sc(C(C)(C)c3ccccc3)nc2C)C1 ZINC001471832361 1073229668 /nfs/dbraw/zinc/22/96/68/1073229668.db2.gz COFOEORTDDPDND-GOSISDBHSA-N 1 2 381.545 3.605 20 30 GHEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2sc(C(C)(C)c3ccccc3)nc2C)C1 ZINC001471832361 1073229666 /nfs/dbraw/zinc/22/96/66/1073229666.db2.gz COFOEORTDDPDND-GOSISDBHSA-N 1 2 381.545 3.605 20 30 GHEDLO Cc1cccc(-c2nsc(N3CC[NH+](Cc4ccc(C#N)cc4)CC3)n2)c1 ZINC001472635356 1073589080 /nfs/dbraw/zinc/58/90/80/1073589080.db2.gz UAKJGXHEXPCAGB-UHFFFAOYSA-N 1 2 375.501 3.707 20 30 GHEDLO Cc1ccc(CNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1C#N ZINC001479276122 1079170875 /nfs/dbraw/zinc/17/08/75/1079170875.db2.gz NEWCZRIPLWDYHV-YADHBBJMSA-N 1 2 385.471 3.791 20 30 GHEDLO Cc1ccc(CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1C#N ZINC001479276118 1079171036 /nfs/dbraw/zinc/17/10/36/1079171036.db2.gz NEWCZRIPLWDYHV-FGZHOGPDSA-N 1 2 385.471 3.791 20 30 GHEDLO C[N@@H+](Cc1cc(Cl)cc(Br)c1O)C[C@H](O)c1cccc(C#N)c1 ZINC001474616191 1074485914 /nfs/dbraw/zinc/48/59/14/1074485914.db2.gz JWNAOUMOSGRSQE-INIZCTEOSA-N 1 2 395.684 3.845 20 30 GHEDLO C[N@H+](Cc1cc(Cl)cc(Br)c1O)C[C@H](O)c1cccc(C#N)c1 ZINC001474616191 1074485917 /nfs/dbraw/zinc/48/59/17/1074485917.db2.gz JWNAOUMOSGRSQE-INIZCTEOSA-N 1 2 395.684 3.845 20 30 GHEDLO CC(C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)c(Cl)c3)c2C1 ZINC000180715432 837490228 /nfs/dbraw/zinc/49/02/28/837490228.db2.gz XFGKCZHLDKHHEY-UHFFFAOYSA-N 1 2 375.881 3.736 20 30 GHEDLO CC(C)[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)c(Cl)c3)c2C1 ZINC000180715432 837490237 /nfs/dbraw/zinc/49/02/37/837490237.db2.gz XFGKCZHLDKHHEY-UHFFFAOYSA-N 1 2 375.881 3.736 20 30 GHEDLO C[N@H+](CCC#N)C[C@H](O)CSc1nnc(-c2ccccc2)c2ccccc21 ZINC000414104446 837554406 /nfs/dbraw/zinc/55/44/06/837554406.db2.gz YWQMNTQJDRBYKQ-KRWDZBQOSA-N 1 2 378.501 3.595 20 30 GHEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1nnc(-c2ccccc2)c2ccccc21 ZINC000414104446 837554413 /nfs/dbraw/zinc/55/44/13/837554413.db2.gz YWQMNTQJDRBYKQ-KRWDZBQOSA-N 1 2 378.501 3.595 20 30 GHEDLO C=CCC[C@@H](NC(=O)NCCc1cn(C)c[nH+]1)c1ccc(C(F)(F)F)cc1 ZINC000458591034 834645496 /nfs/dbraw/zinc/64/54/96/834645496.db2.gz YEUYTTSRBWHYOC-QGZVFWFLSA-N 1 2 380.414 3.988 20 30 GHEDLO N#CCC1(CNC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000430164229 834714261 /nfs/dbraw/zinc/71/42/61/834714261.db2.gz AZERDOLSUGACDJ-INIZCTEOSA-N 1 2 378.879 3.609 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)CC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000458626901 834809115 /nfs/dbraw/zinc/80/91/15/834809115.db2.gz QEGAXTOOFLVOHJ-IRXDYDNUSA-N 1 2 380.895 3.853 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)NCC(C)(C)CC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000458626901 834809124 /nfs/dbraw/zinc/80/91/24/834809124.db2.gz QEGAXTOOFLVOHJ-IRXDYDNUSA-N 1 2 380.895 3.853 20 30 GHEDLO N#C[C@@H](C(=O)C[N@@H+]1CCCC[C@H]1c1ccccc1)c1nc2ccccc2c(=O)[nH]1 ZINC000273901013 835143393 /nfs/dbraw/zinc/14/33/93/835143393.db2.gz XGCGHTMDFGGYNU-ICSRJNTNSA-N 1 2 386.455 3.739 20 30 GHEDLO N#C[C@@H](C(=O)C[N@H+]1CCCC[C@H]1c1ccccc1)c1nc2ccccc2c(=O)[nH]1 ZINC000273901013 835143397 /nfs/dbraw/zinc/14/33/97/835143397.db2.gz XGCGHTMDFGGYNU-ICSRJNTNSA-N 1 2 386.455 3.739 20 30 GHEDLO O=C(CCNC(=O)C1CCCCC1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000329872167 835170580 /nfs/dbraw/zinc/17/05/80/835170580.db2.gz BFPFYJOTFHCFHA-UHFFFAOYSA-N 1 2 386.540 3.852 20 30 GHEDLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)ccc1Br ZINC000430245654 835370716 /nfs/dbraw/zinc/37/07/16/835370716.db2.gz PMBNQBSHIHUFRU-MJGOQNOKSA-N 1 2 392.341 3.949 20 30 GHEDLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)ccc1Br ZINC000430245654 835370725 /nfs/dbraw/zinc/37/07/25/835370725.db2.gz PMBNQBSHIHUFRU-MJGOQNOKSA-N 1 2 392.341 3.949 20 30 GHEDLO N#C[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)c1ccccc1Cl ZINC000179552293 835663093 /nfs/dbraw/zinc/66/30/93/835663093.db2.gz VEPCWYRYIVQOAQ-RTBURBONSA-N 1 2 385.920 3.811 20 30 GHEDLO OC1(C(F)(F)F)CC[NH+](Cc2cccc(F)c2OCC(F)(F)F)CC1 ZINC000628234458 835936585 /nfs/dbraw/zinc/93/65/85/835936585.db2.gz BBVLIHJPSQTRCQ-UHFFFAOYSA-N 1 2 375.284 3.656 20 30 GHEDLO Cc1ccc(C(=O)N2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)cc1F ZINC000179998985 836015247 /nfs/dbraw/zinc/01/52/47/836015247.db2.gz IISAQWIZKGBQEF-UHFFFAOYSA-N 1 2 395.478 3.775 20 30 GHEDLO C=CCn1c(=O)c2c3c(sc2nc1SCCCn1cc[nH+]c1)CCCC3 ZINC000180429390 836169799 /nfs/dbraw/zinc/16/97/99/836169799.db2.gz BFYQDPFQDWCGEW-UHFFFAOYSA-N 1 2 386.546 3.902 20 30 GHEDLO COc1ccc(CC(N)=[NH+]OCc2coc(-c3cccc(F)c3)n2)cc1OC ZINC000065948651 836323666 /nfs/dbraw/zinc/32/36/66/836323666.db2.gz CHTFTVFUQAQZEH-UHFFFAOYSA-N 1 2 385.395 3.529 20 30 GHEDLO C[C@@H](O[NH+]=C(N)c1ccc(OCc2cccnc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000178154828 836440496 /nfs/dbraw/zinc/44/04/96/836440496.db2.gz WDTAUUGDDUILTR-OAHLLOKOSA-N 1 2 392.415 3.967 20 30 GHEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000413833806 836456468 /nfs/dbraw/zinc/45/64/68/836456468.db2.gz KYOUEJYNCAOERT-DENIHFKCSA-N 1 2 378.520 3.657 20 30 GHEDLO COc1ccc(C[NH2+][C@H](c2nccn2C)c2ccccc2)cc1OCCCC#N ZINC000147145991 844172062 /nfs/dbraw/zinc/17/20/62/844172062.db2.gz GJVIHKBULWNEME-QFIPXVFZSA-N 1 2 390.487 3.990 20 30 GHEDLO N#CCCCOc1ccc[nH+]c1NCc1cc2c(c(Br)c1)OCO2 ZINC000162269854 836731087 /nfs/dbraw/zinc/73/10/87/836731087.db2.gz XTTRZPPVRFYADX-UHFFFAOYSA-N 1 2 390.237 3.867 20 30 GHEDLO CC[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc(OC)c(OC)c1 ZINC000510216312 836803962 /nfs/dbraw/zinc/80/39/62/836803962.db2.gz WJADMLALUGDNRG-QGZVFWFLSA-N 1 2 378.432 3.866 20 30 GHEDLO CO[C@H](C)c1nc(CO[NH+]=C(N)c2cccc(Cn3nc(C)cc3C)c2)cs1 ZINC000177573464 836813898 /nfs/dbraw/zinc/81/38/98/836813898.db2.gz SZXQWVLNMTUURS-OAHLLOKOSA-N 1 2 399.520 3.549 20 30 GHEDLO Cc1ccc(-c2noc(CN3CC[NH+]([C@@H](C)c4cccc(C#N)c4)CC3)n2)cc1 ZINC000186288124 837136337 /nfs/dbraw/zinc/13/63/37/837136337.db2.gz WXOVYUQNDLJYJI-SFHVURJKSA-N 1 2 387.487 3.796 20 30 GHEDLO C[C@@]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)(C(N)=O)c1cccc(Cl)c1 ZINC000177390762 837936299 /nfs/dbraw/zinc/93/62/99/837936299.db2.gz KIGZWXHDBMLKAJ-SFHVURJKSA-N 1 2 380.797 3.701 20 30 GHEDLO N#Cc1ccccc1N1CCCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000579948831 837978839 /nfs/dbraw/zinc/97/88/39/837978839.db2.gz BLJDINNLRWROEG-OAQYLSRUSA-N 1 2 399.498 3.542 20 30 GHEDLO Cc1cc(C#N)cnc1C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000549338710 837997413 /nfs/dbraw/zinc/99/74/13/837997413.db2.gz GDWODMHVDZLSGF-KRWDZBQOSA-N 1 2 386.858 3.621 20 30 GHEDLO N#Cc1c(NC(=O)C[NH+]2CCC([C@H]3CCCO3)CC2)sc2c1CCCCC2 ZINC000189176566 838219680 /nfs/dbraw/zinc/21/96/80/838219680.db2.gz NACOUEYOJOVFLC-GOSISDBHSA-N 1 2 387.549 3.718 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c1c(F)cccc1F ZINC000610341032 838563493 /nfs/dbraw/zinc/56/34/93/838563493.db2.gz NCANVEQMFPPQLH-LSDHHAIUSA-N 1 2 387.430 3.959 20 30 GHEDLO COCC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccc(C)cc1C ZINC000610368207 838718463 /nfs/dbraw/zinc/71/84/63/838718463.db2.gz HPJVURBQRWASAT-UHFFFAOYSA-N 1 2 376.460 3.874 20 30 GHEDLO COCC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccc(C)cc1C ZINC000610368207 838718474 /nfs/dbraw/zinc/71/84/74/838718474.db2.gz HPJVURBQRWASAT-UHFFFAOYSA-N 1 2 376.460 3.874 20 30 GHEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000378278021 838750724 /nfs/dbraw/zinc/75/07/24/838750724.db2.gz SJBURCLZWDCEPY-MRXNPFEDSA-N 1 2 384.439 3.879 20 30 GHEDLO Cc1cnn([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)C2)c1 ZINC000580604708 839885621 /nfs/dbraw/zinc/88/56/21/839885621.db2.gz QSFRZDNDUQTQHB-HZPDHXFCSA-N 1 2 397.548 3.668 20 30 GHEDLO Cc1cnn([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)C2)c1 ZINC000580604708 839885624 /nfs/dbraw/zinc/88/56/24/839885624.db2.gz QSFRZDNDUQTQHB-HZPDHXFCSA-N 1 2 397.548 3.668 20 30 GHEDLO C=CC[N@@H+](CC(=O)Nc1ccc(C(=O)N(CC)CC)cc1)Cc1cccs1 ZINC000019540614 840452066 /nfs/dbraw/zinc/45/20/66/840452066.db2.gz HXBPQZODMSKDSC-UHFFFAOYSA-N 1 2 385.533 3.857 20 30 GHEDLO C=CC[N@H+](CC(=O)Nc1ccc(C(=O)N(CC)CC)cc1)Cc1cccs1 ZINC000019540614 840452075 /nfs/dbraw/zinc/45/20/75/840452075.db2.gz HXBPQZODMSKDSC-UHFFFAOYSA-N 1 2 385.533 3.857 20 30 GHEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000511736994 840576343 /nfs/dbraw/zinc/57/63/43/840576343.db2.gz JGXMGGMZIWTQFF-NSISKUIASA-N 1 2 376.504 3.832 20 30 GHEDLO COc1ccccc1[C@@H]1CCCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000610485088 840822602 /nfs/dbraw/zinc/82/26/02/840822602.db2.gz PTGHTOIKJCMTDG-FQEVSTJZSA-N 1 2 384.501 3.568 20 30 GHEDLO COc1ccccc1[C@@H]1CCCC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000610485088 840822613 /nfs/dbraw/zinc/82/26/13/840822613.db2.gz PTGHTOIKJCMTDG-FQEVSTJZSA-N 1 2 384.501 3.568 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000511859576 841012148 /nfs/dbraw/zinc/01/21/48/841012148.db2.gz MVWIJZVWTZEXIJ-INIZCTEOSA-N 1 2 378.501 3.881 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000511859576 841012154 /nfs/dbraw/zinc/01/21/54/841012154.db2.gz MVWIJZVWTZEXIJ-INIZCTEOSA-N 1 2 378.501 3.881 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC[C@H]3C3CCOCC3)n2)C1 ZINC000329246783 861198124 /nfs/dbraw/zinc/19/81/24/861198124.db2.gz VWRBGEMWYANQRK-QAPCUYQASA-N 1 2 392.569 3.812 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC[C@H]3C3CCOCC3)n2)C1 ZINC000329246783 861198138 /nfs/dbraw/zinc/19/81/38/861198138.db2.gz VWRBGEMWYANQRK-QAPCUYQASA-N 1 2 392.569 3.812 20 30 GHEDLO C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000329258929 861210983 /nfs/dbraw/zinc/21/09/83/861210983.db2.gz DLNKFLSKCUXVNK-MRXNPFEDSA-N 1 2 375.488 3.917 20 30 GHEDLO C[C@H](C(=O)Nc1cccc(F)c1)[N@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000329258929 861210998 /nfs/dbraw/zinc/21/09/98/861210998.db2.gz DLNKFLSKCUXVNK-MRXNPFEDSA-N 1 2 375.488 3.917 20 30 GHEDLO CC(C)[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)CCS(C)(=O)=O ZINC000191594338 841561670 /nfs/dbraw/zinc/56/16/70/841561670.db2.gz YEFIHYLZHUJWTL-UHFFFAOYSA-N 1 2 384.545 3.641 20 30 GHEDLO CC(C)[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)CCS(C)(=O)=O ZINC000191594338 841561685 /nfs/dbraw/zinc/56/16/85/841561685.db2.gz YEFIHYLZHUJWTL-UHFFFAOYSA-N 1 2 384.545 3.641 20 30 GHEDLO COC(=O)c1ccc(N2c3sc(C)cc3C(=[NH2+])Nc3ccccc32)c(C#N)n1 ZINC001167469646 841654367 /nfs/dbraw/zinc/65/43/67/841654367.db2.gz RJXJIWQYWRHSDT-UHFFFAOYSA-N 1 2 389.440 3.930 20 30 GHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1Br ZINC000125929538 842156648 /nfs/dbraw/zinc/15/66/48/842156648.db2.gz DVWVZHLXSIJCRQ-SJLPKXTDSA-N 1 2 378.314 3.640 20 30 GHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H]1c1ccccc1Br ZINC000125929538 842156657 /nfs/dbraw/zinc/15/66/57/842156657.db2.gz DVWVZHLXSIJCRQ-SJLPKXTDSA-N 1 2 378.314 3.640 20 30 GHEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3ccccc3SCC#N)CC2)c1 ZINC000728891570 842325306 /nfs/dbraw/zinc/32/53/06/842325306.db2.gz PHHHQIARLNPJMP-KRWDZBQOSA-N 1 2 395.528 3.830 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(C(=O)OC)cc1 ZINC000026209915 842552065 /nfs/dbraw/zinc/55/20/65/842552065.db2.gz SERTWSWXGNVEAS-UHFFFAOYSA-N 1 2 384.501 3.822 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(C(=O)OC)cc1 ZINC000026209915 842552069 /nfs/dbraw/zinc/55/20/69/842552069.db2.gz SERTWSWXGNVEAS-UHFFFAOYSA-N 1 2 384.501 3.822 20 30 GHEDLO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+]([C@@H]2CCCN(c3ccccc3F)C2=O)C1 ZINC000329391389 861367792 /nfs/dbraw/zinc/36/77/92/861367792.db2.gz SSBTXPXSPAIUQG-HNAYVOBHSA-N 1 2 399.470 3.532 20 30 GHEDLO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+]([C@@H]2CCCN(c3ccccc3F)C2=O)C1 ZINC000329391389 861367803 /nfs/dbraw/zinc/36/78/03/861367803.db2.gz SSBTXPXSPAIUQG-HNAYVOBHSA-N 1 2 399.470 3.532 20 30 GHEDLO N#Cc1cccc(C[N@@H+]2CCC[C@H](NC(=O)CCCc3ccccc3)C2)c1F ZINC000510600152 843021669 /nfs/dbraw/zinc/02/16/69/843021669.db2.gz RDIZWPWZJSCNCL-NRFANRHFSA-N 1 2 379.479 3.801 20 30 GHEDLO N#Cc1cccc(C[N@H+]2CCC[C@H](NC(=O)CCCc3ccccc3)C2)c1F ZINC000510600152 843021674 /nfs/dbraw/zinc/02/16/74/843021674.db2.gz RDIZWPWZJSCNCL-NRFANRHFSA-N 1 2 379.479 3.801 20 30 GHEDLO N#CCCn1cc(C[N@H+]2CCc3c(F)ccc(F)c3C2)c(-c2ccncc2)n1 ZINC000279442954 843060161 /nfs/dbraw/zinc/06/01/61/843060161.db2.gz RRCHQRCJHQUVLF-UHFFFAOYSA-N 1 2 379.414 3.695 20 30 GHEDLO N#CCCn1cc(C[N@@H+]2CCc3c(F)ccc(F)c3C2)c(-c2ccncc2)n1 ZINC000279442954 843060166 /nfs/dbraw/zinc/06/01/66/843060166.db2.gz RRCHQRCJHQUVLF-UHFFFAOYSA-N 1 2 379.414 3.695 20 30 GHEDLO N#CCCn1cc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c(-c2ccncc2)n1 ZINC000279480471 843077000 /nfs/dbraw/zinc/07/70/00/843077000.db2.gz WSYIDGOLVBKTGG-OAQYLSRUSA-N 1 2 391.450 3.571 20 30 GHEDLO N#CCCn1cc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c(-c2ccncc2)n1 ZINC000279480471 843077013 /nfs/dbraw/zinc/07/70/13/843077013.db2.gz WSYIDGOLVBKTGG-OAQYLSRUSA-N 1 2 391.450 3.571 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H]1CCCN(c2ccc(F)cc2C)C1=O ZINC000512216175 843104979 /nfs/dbraw/zinc/10/49/79/843104979.db2.gz AOGHHBQQEGLOLB-OAQYLSRUSA-N 1 2 386.467 3.793 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H]1CCCN(c2ccc(F)cc2C)C1=O ZINC000512216175 843104982 /nfs/dbraw/zinc/10/49/82/843104982.db2.gz AOGHHBQQEGLOLB-OAQYLSRUSA-N 1 2 386.467 3.793 20 30 GHEDLO CC(C)(C)n1ncnc1C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000500481567 843519089 /nfs/dbraw/zinc/51/90/89/843519089.db2.gz JJFWLQQEZMQHRF-UHFFFAOYSA-N 1 2 375.476 3.774 20 30 GHEDLO Cc1ccc(S(=O)(=O)n2ccc(C(=O)/C=C\c3cccc4[nH+]ccn43)c2)cc1 ZINC000255398814 843676679 /nfs/dbraw/zinc/67/66/79/843676679.db2.gz KZBFYESUOAWQPS-YFHOEESVSA-N 1 2 391.452 3.577 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC(C)(C)[C@@H]3[C@H]3CCCO3)n2)C1 ZINC000329456928 861460363 /nfs/dbraw/zinc/46/03/63/861460363.db2.gz QIXIZXPHKWUGML-OIISXLGYSA-N 1 2 392.569 3.810 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC(C)(C)[C@@H]3[C@H]3CCCO3)n2)C1 ZINC000329456928 861460373 /nfs/dbraw/zinc/46/03/73/861460373.db2.gz QIXIZXPHKWUGML-OIISXLGYSA-N 1 2 392.569 3.810 20 30 GHEDLO O=C(N[C@@H]1CCCN(c2cc(N3CCCC3)[nH+]cn2)C1)c1cc2ccccc2o1 ZINC000329457988 861460638 /nfs/dbraw/zinc/46/06/38/861460638.db2.gz QXHDVHBQGFKTKR-QGZVFWFLSA-N 1 2 391.475 3.797 20 30 GHEDLO O=C(N[C@@H]1CCCN(c2cc(N3CCCC3)nc[nH+]2)C1)c1cc2ccccc2o1 ZINC000329457988 861460644 /nfs/dbraw/zinc/46/06/44/861460644.db2.gz QXHDVHBQGFKTKR-QGZVFWFLSA-N 1 2 391.475 3.797 20 30 GHEDLO CCOc1ccccc1[C@@H](CC)NC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678247 861476059 /nfs/dbraw/zinc/47/60/59/861476059.db2.gz GZWKDMNECHGOLR-JOCHJYFZSA-N 1 2 391.515 3.777 20 30 GHEDLO CCOc1ccccc1[C@@H](CC)NC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678247 861476065 /nfs/dbraw/zinc/47/60/65/861476065.db2.gz GZWKDMNECHGOLR-JOCHJYFZSA-N 1 2 391.515 3.777 20 30 GHEDLO C=CCN1CC[C@@H]([N@H+]2C[C@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)C1=O ZINC000433304561 843991374 /nfs/dbraw/zinc/99/13/74/843991374.db2.gz NDLCUVIPKPNRGU-IAGOWNOFSA-N 1 2 382.426 3.644 20 30 GHEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)C1=O ZINC000433304561 843991378 /nfs/dbraw/zinc/99/13/78/843991378.db2.gz NDLCUVIPKPNRGU-IAGOWNOFSA-N 1 2 382.426 3.644 20 30 GHEDLO CSc1ccc([C@@H](C)NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000047054853 844760437 /nfs/dbraw/zinc/76/04/37/844760437.db2.gz FMPBXFUGAWKTSS-QGZVFWFLSA-N 1 2 394.544 3.869 20 30 GHEDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)Nc2cccc(C#N)c2C)CC1 ZINC000610906080 844836237 /nfs/dbraw/zinc/83/62/37/844836237.db2.gz FIYDYWLFAHCOIP-UHFFFAOYSA-N 1 2 378.476 3.533 20 30 GHEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 ZINC000367016650 846374506 /nfs/dbraw/zinc/37/45/06/846374506.db2.gz LLQUONRRFRGXII-GFCCVEGCSA-N 1 2 393.369 3.602 20 30 GHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)n2)C1 ZINC000280474786 846414120 /nfs/dbraw/zinc/41/41/20/846414120.db2.gz FWPIIVBPGIGXQM-YJBOKZPZSA-N 1 2 393.516 3.568 20 30 GHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)n2)C1 ZINC000280474786 846414126 /nfs/dbraw/zinc/41/41/26/846414126.db2.gz FWPIIVBPGIGXQM-YJBOKZPZSA-N 1 2 393.516 3.568 20 30 GHEDLO N#Cc1ccc(CN2CC[NH+](Cc3cccc(F)c3)CC2)c(OC(F)F)c1 ZINC000502761871 846440483 /nfs/dbraw/zinc/44/04/83/846440483.db2.gz CQEMGKWFIHWXCJ-UHFFFAOYSA-N 1 2 375.394 3.617 20 30 GHEDLO COc1cc(NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(F)cc1C#N ZINC000599812690 861709671 /nfs/dbraw/zinc/70/96/71/861709671.db2.gz PRNWRRVWAALZIA-AWEZNQCLSA-N 1 2 397.454 3.650 20 30 GHEDLO C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000501444620 846931765 /nfs/dbraw/zinc/93/17/65/846931765.db2.gz BFEGEOUIUWUYSR-KURKYZTESA-N 1 2 393.487 3.573 20 30 GHEDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502507838 847950342 /nfs/dbraw/zinc/95/03/42/847950342.db2.gz PRSRYHTZYYRRLB-HNNXBMFYSA-N 1 2 376.416 3.583 20 30 GHEDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502507838 847950352 /nfs/dbraw/zinc/95/03/52/847950352.db2.gz PRSRYHTZYYRRLB-HNNXBMFYSA-N 1 2 376.416 3.583 20 30 GHEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502527727 847968833 /nfs/dbraw/zinc/96/88/33/847968833.db2.gz HOJQSVJMFLIURQ-KRWDZBQOSA-N 1 2 375.472 3.992 20 30 GHEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502527727 847968845 /nfs/dbraw/zinc/96/88/45/847968845.db2.gz HOJQSVJMFLIURQ-KRWDZBQOSA-N 1 2 375.472 3.992 20 30 GHEDLO C[N@H+](CC(=O)Nc1ccc(Br)cc1F)Cc1ccc(C#N)cc1 ZINC000046518974 848071330 /nfs/dbraw/zinc/07/13/30/848071330.db2.gz OOSJLQMDXFQGQN-UHFFFAOYSA-N 1 2 376.229 3.530 20 30 GHEDLO C[N@@H+](CC(=O)Nc1ccc(Br)cc1F)Cc1ccc(C#N)cc1 ZINC000046518974 848071335 /nfs/dbraw/zinc/07/13/35/848071335.db2.gz OOSJLQMDXFQGQN-UHFFFAOYSA-N 1 2 376.229 3.530 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000119940000 848468306 /nfs/dbraw/zinc/46/83/06/848468306.db2.gz GXLXBBUZSZNDPU-CVEARBPZSA-N 1 2 381.505 3.876 20 30 GHEDLO N#Cc1ccccc1NC(=S)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000731944360 861966774 /nfs/dbraw/zinc/96/67/74/861966774.db2.gz SJDIRLPQOVHOTI-HNNXBMFYSA-N 1 2 386.471 3.787 20 30 GHEDLO N#Cc1ccccc1NC(=S)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000731944360 861966782 /nfs/dbraw/zinc/96/67/82/861966782.db2.gz SJDIRLPQOVHOTI-HNNXBMFYSA-N 1 2 386.471 3.787 20 30 GHEDLO COc1ccc(C[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)cc1OCCCC#N ZINC000154081843 849182820 /nfs/dbraw/zinc/18/28/20/849182820.db2.gz CXHJJWRROHKZDS-QGZVFWFLSA-N 1 2 391.475 3.809 20 30 GHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000052213764 849403866 /nfs/dbraw/zinc/40/38/66/849403866.db2.gz CBIZESNVFSRLIZ-SJLPKXTDSA-N 1 2 378.314 3.640 20 30 GHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000052213764 849403872 /nfs/dbraw/zinc/40/38/72/849403872.db2.gz CBIZESNVFSRLIZ-SJLPKXTDSA-N 1 2 378.314 3.640 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CCC(CCC#N)CC2)C[C@H](C)O1 ZINC000514600157 850042934 /nfs/dbraw/zinc/04/29/34/850042934.db2.gz MGTQNQWRCTVYHD-HDICACEKSA-N 1 2 384.524 3.843 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CCC(CCC#N)CC2)C[C@H](C)O1 ZINC000514600157 850042941 /nfs/dbraw/zinc/04/29/41/850042941.db2.gz MGTQNQWRCTVYHD-HDICACEKSA-N 1 2 384.524 3.843 20 30 GHEDLO CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000505615265 850128527 /nfs/dbraw/zinc/12/85/27/850128527.db2.gz RYPHVOCLZCROGM-SFHVURJKSA-N 1 2 385.309 3.989 20 30 GHEDLO CC(=O)N1CC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)CC12CCCCC2 ZINC000518848775 850216787 /nfs/dbraw/zinc/21/67/87/850216787.db2.gz YTAGPSCULFHHCY-UHFFFAOYSA-N 1 2 379.426 3.944 20 30 GHEDLO CC(=O)N1CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)CC12CCCCC2 ZINC000518848775 850216794 /nfs/dbraw/zinc/21/67/94/850216794.db2.gz YTAGPSCULFHHCY-UHFFFAOYSA-N 1 2 379.426 3.944 20 30 GHEDLO Cc1cc([C@@H](C)NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1F ZINC000435418283 850496204 /nfs/dbraw/zinc/49/62/04/850496204.db2.gz PCHHMXWSNAFPOR-QGZVFWFLSA-N 1 2 380.467 3.594 20 30 GHEDLO C=CCC1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CCOCC1 ZINC000424672260 850628313 /nfs/dbraw/zinc/62/83/13/850628313.db2.gz YLUUWASPMKNWNL-SFHVURJKSA-N 1 2 394.918 3.933 20 30 GHEDLO C=CCC1(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CCOCC1 ZINC000424672260 850628317 /nfs/dbraw/zinc/62/83/17/850628317.db2.gz YLUUWASPMKNWNL-SFHVURJKSA-N 1 2 394.918 3.933 20 30 GHEDLO CCN(C(=O)c1ccc(C#N)s1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000487610490 850757660 /nfs/dbraw/zinc/75/76/60/850757660.db2.gz RZASGGXVVAXCPL-UHFFFAOYSA-N 1 2 397.548 3.973 20 30 GHEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000440322880 851064439 /nfs/dbraw/zinc/06/44/39/851064439.db2.gz FTNJLHNIXJTDPC-BEFAXECRSA-N 1 2 396.318 3.645 20 30 GHEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000440322880 851064453 /nfs/dbraw/zinc/06/44/53/851064453.db2.gz FTNJLHNIXJTDPC-BEFAXECRSA-N 1 2 396.318 3.645 20 30 GHEDLO CC(C)(C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc(F)cc(C#N)c1 ZINC000506829576 851098994 /nfs/dbraw/zinc/09/89/94/851098994.db2.gz AWKVYQGAWWDNOX-UHFFFAOYSA-N 1 2 380.398 3.616 20 30 GHEDLO C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000425081705 851132790 /nfs/dbraw/zinc/13/27/90/851132790.db2.gz DTBKIULOQUYNHH-IUODEOHRSA-N 1 2 376.382 3.789 20 30 GHEDLO CC[C@@H]1C[N@H+](CCNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CCO1 ZINC000488297409 851372208 /nfs/dbraw/zinc/37/22/08/851372208.db2.gz LGFRNRBUTLCXBM-LJQANCHMSA-N 1 2 394.475 3.583 20 30 GHEDLO CC[C@@H]1C[N@@H+](CCNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CCO1 ZINC000488297409 851372219 /nfs/dbraw/zinc/37/22/19/851372219.db2.gz LGFRNRBUTLCXBM-LJQANCHMSA-N 1 2 394.475 3.583 20 30 GHEDLO OC(=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)NC1=[NH+]CCS1 ZINC000057960098 862297698 /nfs/dbraw/zinc/29/76/98/862297698.db2.gz XDTIJJOHVJMISY-UHFFFAOYSA-N 1 2 396.903 3.954 20 30 GHEDLO C=CCn1cccc1C(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC000489043223 851960953 /nfs/dbraw/zinc/96/09/53/851960953.db2.gz QPZXIZRBZOOZMA-AVRDEDQJSA-N 1 2 380.536 3.750 20 30 GHEDLO C=CCn1cccc1C(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC000489043223 851960962 /nfs/dbraw/zinc/96/09/62/851960962.db2.gz QPZXIZRBZOOZMA-AVRDEDQJSA-N 1 2 380.536 3.750 20 30 GHEDLO CCc1nnc(C)cc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000329774233 862313673 /nfs/dbraw/zinc/31/36/73/862313673.db2.gz IMMDJEGKJHSIKG-QZTJIDSGSA-N 1 2 376.863 3.890 20 30 GHEDLO CCc1nnc(C)cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000329774233 862313690 /nfs/dbraw/zinc/31/36/90/862313690.db2.gz IMMDJEGKJHSIKG-QZTJIDSGSA-N 1 2 376.863 3.890 20 30 GHEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000329776487 862315129 /nfs/dbraw/zinc/31/51/29/862315129.db2.gz JYKCXXBUROQEDX-ZTNFWEORSA-N 1 2 386.492 3.858 20 30 GHEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000329776487 862315144 /nfs/dbraw/zinc/31/51/44/862315144.db2.gz JYKCXXBUROQEDX-ZTNFWEORSA-N 1 2 386.492 3.858 20 30 GHEDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000329783046 862319440 /nfs/dbraw/zinc/31/94/40/862319440.db2.gz OEEBLBLBCBSIFG-IRXDYDNUSA-N 1 2 390.553 3.708 20 30 GHEDLO O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)NC[C@@H]1CCC[C@H](O)C1 ZINC000329791697 862323397 /nfs/dbraw/zinc/32/33/97/862323397.db2.gz DXXKDEQIJAXTAF-VKJFTORMSA-N 1 2 397.922 3.671 20 30 GHEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]1c1cc(Br)ccc1OC ZINC000507194451 852665631 /nfs/dbraw/zinc/66/56/31/852665631.db2.gz GLLACMITIHGBIA-KRWDZBQOSA-N 1 2 393.325 3.795 20 30 GHEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]1c1cc(Br)ccc1OC ZINC000507194451 852665633 /nfs/dbraw/zinc/66/56/33/852665633.db2.gz GLLACMITIHGBIA-KRWDZBQOSA-N 1 2 393.325 3.795 20 30 GHEDLO CSc1cc2c(cc1[NH+]=C([O-])N1CC[C@@H](C)[C@@H](n3cc[nH+]c3)C1)OCCO2 ZINC000329896426 862405071 /nfs/dbraw/zinc/40/50/71/862405071.db2.gz KXHQMPMVSDLDJT-HIFRSBDPSA-N 1 2 388.493 3.505 20 30 GHEDLO Cc1cccc(O[C@@H]2CCCC[C@@H]2NC([O-])=[NH+]C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000329902012 862408504 /nfs/dbraw/zinc/40/85/04/862408504.db2.gz PBLFQFGPBKDBSK-YZGWKJHDSA-N 1 2 382.508 3.648 20 30 GHEDLO CN(C)c1cc(C#N)cc(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)c1 ZINC000490538438 853093388 /nfs/dbraw/zinc/09/33/88/853093388.db2.gz CYCPKUJGAHQEPN-UHFFFAOYSA-N 1 2 383.455 3.792 20 30 GHEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1c(C)nn(CC(=O)OCC)c1C ZINC000437575182 853284658 /nfs/dbraw/zinc/28/46/58/853284658.db2.gz ACQJREJGVIYEKQ-UHFFFAOYSA-N 1 2 381.929 3.966 20 30 GHEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1c(C)nn(CC(=O)OCC)c1C ZINC000437575182 853284667 /nfs/dbraw/zinc/28/46/67/853284667.db2.gz ACQJREJGVIYEKQ-UHFFFAOYSA-N 1 2 381.929 3.966 20 30 GHEDLO C=C[C@](C)(CCOC)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000437627015 853332230 /nfs/dbraw/zinc/33/22/30/853332230.db2.gz GYLXHDVKQPNDJS-YLJYHZDGSA-N 1 2 382.907 3.961 20 30 GHEDLO CC[C@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000054952763 853599309 /nfs/dbraw/zinc/59/93/09/853599309.db2.gz KJWRVYVNMMYSMY-OAQYLSRUSA-N 1 2 376.504 3.579 20 30 GHEDLO CCc1ccc2c(c1)[C@H](CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C(=O)N2 ZINC000330005641 862500625 /nfs/dbraw/zinc/50/06/25/862500625.db2.gz DIPCQNUEAYOXRV-FXAWDEMLSA-N 1 2 385.508 3.924 20 30 GHEDLO CCc1ccc2c(c1)[C@H](CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)C(=O)N2 ZINC000330005641 862500637 /nfs/dbraw/zinc/50/06/37/862500637.db2.gz DIPCQNUEAYOXRV-FXAWDEMLSA-N 1 2 385.508 3.924 20 30 GHEDLO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000330019430 862512273 /nfs/dbraw/zinc/51/22/73/862512273.db2.gz VARVPSCLXUQROX-GXTWGEPZSA-N 1 2 379.291 3.988 20 30 GHEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@H]2c2cccc(Br)c2)cc1 ZINC000520168920 853922210 /nfs/dbraw/zinc/92/22/10/853922210.db2.gz HMDPCAMDRGWKKK-IBGZPJMESA-N 1 2 398.304 3.774 20 30 GHEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]2c2cccc(Br)c2)cc1 ZINC000520168920 853922218 /nfs/dbraw/zinc/92/22/18/853922218.db2.gz HMDPCAMDRGWKKK-IBGZPJMESA-N 1 2 398.304 3.774 20 30 GHEDLO N#Cc1ccc(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)cc1Cl ZINC000571720722 854026453 /nfs/dbraw/zinc/02/64/53/854026453.db2.gz XDWQDKFRITZZNY-SFHVURJKSA-N 1 2 380.835 3.835 20 30 GHEDLO N#Cc1ccc(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)cc1Cl ZINC000571720722 854026457 /nfs/dbraw/zinc/02/64/57/854026457.db2.gz XDWQDKFRITZZNY-SFHVURJKSA-N 1 2 380.835 3.835 20 30 GHEDLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000330053745 862536062 /nfs/dbraw/zinc/53/60/62/862536062.db2.gz QWYOMYCIWCYIOF-SLFFLAALSA-N 1 2 398.551 3.826 20 30 GHEDLO COc1ccc(C[N@H+](C)Cc2cccc(C#N)c2)c(Br)c1OC ZINC000055901772 854232777 /nfs/dbraw/zinc/23/27/77/854232777.db2.gz DXCLALYPOZDMAJ-UHFFFAOYSA-N 1 2 375.266 3.970 20 30 GHEDLO COc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)c(Br)c1OC ZINC000055901772 854232783 /nfs/dbraw/zinc/23/27/83/854232783.db2.gz DXCLALYPOZDMAJ-UHFFFAOYSA-N 1 2 375.266 3.970 20 30 GHEDLO N#CCCN(C(=O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1)c1ccccc1 ZINC000050963867 854389424 /nfs/dbraw/zinc/38/94/24/854389424.db2.gz NHQSBDNZXFPRQK-QFIPXVFZSA-N 1 2 395.478 3.754 20 30 GHEDLO N#CCCN(C(=O)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1)c1ccccc1 ZINC000050963867 854389432 /nfs/dbraw/zinc/38/94/32/854389432.db2.gz NHQSBDNZXFPRQK-QFIPXVFZSA-N 1 2 395.478 3.754 20 30 GHEDLO O=C(Nc1cccc2c1CN(c1nccs1)C2)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000328882975 854596469 /nfs/dbraw/zinc/59/64/69/854596469.db2.gz MBWCKUXIRAUXQL-UHFFFAOYSA-N 1 2 394.504 3.812 20 30 GHEDLO O=C(Nc1cccc2c1CN(c1nccs1)C2)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000328882975 854596476 /nfs/dbraw/zinc/59/64/76/854596476.db2.gz MBWCKUXIRAUXQL-UHFFFAOYSA-N 1 2 394.504 3.812 20 30 GHEDLO COc1ccc(Br)c(C[N@H+](C)CCOCc2ccc(C#N)cc2)c1 ZINC000589210622 854751148 /nfs/dbraw/zinc/75/11/48/854751148.db2.gz OFVQJEWMEGUDHR-UHFFFAOYSA-N 1 2 389.293 3.978 20 30 GHEDLO COc1ccc(Br)c(C[N@@H+](C)CCOCc2ccc(C#N)cc2)c1 ZINC000589210622 854751157 /nfs/dbraw/zinc/75/11/57/854751157.db2.gz OFVQJEWMEGUDHR-UHFFFAOYSA-N 1 2 389.293 3.978 20 30 GHEDLO C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1)c1ccc2c(c1)CCCC2 ZINC000330141549 862609343 /nfs/dbraw/zinc/60/93/43/862609343.db2.gz XQRGWNUTWPEDGF-PNCHPQGNSA-N 1 2 386.536 3.853 20 30 GHEDLO C[C@@H](NC(=O)C[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1)c1ccc2c(c1)CCCC2 ZINC000330141549 862609354 /nfs/dbraw/zinc/60/93/54/862609354.db2.gz XQRGWNUTWPEDGF-PNCHPQGNSA-N 1 2 386.536 3.853 20 30 GHEDLO N#Cc1ccc(C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)nc1 ZINC000107476932 855451929 /nfs/dbraw/zinc/45/19/29/855451929.db2.gz IDZCPKPTMCTUHL-UHFFFAOYSA-N 1 2 393.450 3.795 20 30 GHEDLO N#Cc1ccc(Oc2cccc(C(=O)N3CCN(c4cccc[nH+]4)CC3)c2)cc1 ZINC000482135712 862723465 /nfs/dbraw/zinc/72/34/65/862723465.db2.gz RWXORMVTDDSZNA-UHFFFAOYSA-N 1 2 384.439 3.708 20 30 GHEDLO N#Cc1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000302211556 855840743 /nfs/dbraw/zinc/84/07/43/855840743.db2.gz MRYWUJZMPOXXAN-UHFFFAOYSA-N 1 2 390.365 3.807 20 30 GHEDLO N#Cc1cnccc1C[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000592081198 856653793 /nfs/dbraw/zinc/65/37/93/856653793.db2.gz YDMJGFOXFKTFMF-UHFFFAOYSA-N 1 2 399.292 3.566 20 30 GHEDLO COCC[N@H+](CC(=O)N(Cc1ccccc1)C(C)(C)C)Cc1ccc(C#N)cc1 ZINC000058397731 856748058 /nfs/dbraw/zinc/74/80/58/856748058.db2.gz DQLOWHFTGIMJTJ-UHFFFAOYSA-N 1 2 393.531 3.834 20 30 GHEDLO COCC[N@@H+](CC(=O)N(Cc1ccccc1)C(C)(C)C)Cc1ccc(C#N)cc1 ZINC000058397731 856748064 /nfs/dbraw/zinc/74/80/64/856748064.db2.gz DQLOWHFTGIMJTJ-UHFFFAOYSA-N 1 2 393.531 3.834 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000008319092 857110794 /nfs/dbraw/zinc/11/07/94/857110794.db2.gz KOPKSCQJQCKRRD-SFHVURJKSA-N 1 2 397.862 3.758 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000008319092 857110801 /nfs/dbraw/zinc/11/08/01/857110801.db2.gz KOPKSCQJQCKRRD-SFHVURJKSA-N 1 2 397.862 3.758 20 30 GHEDLO CC(C)O[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000593055954 857205522 /nfs/dbraw/zinc/20/55/22/857205522.db2.gz VNYPOIRJNFETPB-SJORKVTESA-N 1 2 375.538 3.909 20 30 GHEDLO CC(C)O[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000593055954 857205534 /nfs/dbraw/zinc/20/55/34/857205534.db2.gz VNYPOIRJNFETPB-SJORKVTESA-N 1 2 375.538 3.909 20 30 GHEDLO N#Cc1csc(C[NH2+][C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)n1 ZINC000574066409 857208022 /nfs/dbraw/zinc/20/80/22/857208022.db2.gz FXAPZSJIAQHZFY-HNNXBMFYSA-N 1 2 390.468 3.702 20 30 GHEDLO C[N@H+](Cc1csc(Br)c1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000174129595 857213954 /nfs/dbraw/zinc/21/39/54/857213954.db2.gz MCCWUDGMLRBAKK-OAHLLOKOSA-N 1 2 390.306 3.620 20 30 GHEDLO C[N@@H+](Cc1csc(Br)c1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000174129595 857213966 /nfs/dbraw/zinc/21/39/66/857213966.db2.gz MCCWUDGMLRBAKK-OAHLLOKOSA-N 1 2 390.306 3.620 20 30 GHEDLO CS(=O)(=O)c1cccc([C@H]([NH2+]Cc2cc(C#N)ccc2F)c2ccccc2)c1 ZINC000174901365 857404781 /nfs/dbraw/zinc/40/47/81/857404781.db2.gz GQJOPQLYIIKPGH-JOCHJYFZSA-N 1 2 394.471 3.980 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000675975862 857697078 /nfs/dbraw/zinc/69/70/78/857697078.db2.gz CUWGYHORNCBPFU-OAHLLOKOSA-N 1 2 380.517 3.627 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594026525 857844007 /nfs/dbraw/zinc/84/40/07/857844007.db2.gz LJWMJXYTWKPSIB-AEFFLSMTSA-N 1 2 387.549 3.910 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594026525 857844015 /nfs/dbraw/zinc/84/40/15/857844015.db2.gz LJWMJXYTWKPSIB-AEFFLSMTSA-N 1 2 387.549 3.910 20 30 GHEDLO C[C@H]([NH2+][C@@H](Cc1ccccc1)c1ncco1)C(=O)N(CCC#N)c1ccccc1 ZINC000594055872 857856975 /nfs/dbraw/zinc/85/69/75/857856975.db2.gz OPLQSPINDKTYTE-RXVVDRJESA-N 1 2 388.471 3.883 20 30 GHEDLO N#Cc1ncc(NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1Cl ZINC000574495313 858057031 /nfs/dbraw/zinc/05/70/31/858057031.db2.gz FUGUTKGOCPNOFQ-ZDUSSCGKSA-N 1 2 384.871 3.551 20 30 GHEDLO C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)[C@H](C)[NH+]1CCOCC1 ZINC000078514493 858072587 /nfs/dbraw/zinc/07/25/87/858072587.db2.gz IEBVCMWXJGYASU-SJORKVTESA-N 1 2 395.528 3.548 20 30 GHEDLO COc1ccc([C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)c2ccccc2Cl)cc1 ZINC000132296729 858114793 /nfs/dbraw/zinc/11/47/93/858114793.db2.gz USICJQRBXJNSAY-VXKWHMMOSA-N 1 2 397.906 3.836 20 30 GHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCCC[C@H]2c2ccnn2C)c1C ZINC000281387394 863004197 /nfs/dbraw/zinc/00/41/97/863004197.db2.gz MTFOIXVNZVOFKL-NRFANRHFSA-N 1 2 379.508 3.511 20 30 GHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@H]2c2ccnn2C)c1C ZINC000281387394 863004216 /nfs/dbraw/zinc/00/42/16/863004216.db2.gz MTFOIXVNZVOFKL-NRFANRHFSA-N 1 2 379.508 3.511 20 30 GHEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)cc1Cl ZINC000066848248 858321281 /nfs/dbraw/zinc/32/12/81/858321281.db2.gz AXIMXKRLYCOUIU-IBGZPJMESA-N 1 2 387.842 3.753 20 30 GHEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@H](c3cccc(F)c3)C2)cc1Cl ZINC000066848248 858321289 /nfs/dbraw/zinc/32/12/89/858321289.db2.gz AXIMXKRLYCOUIU-IBGZPJMESA-N 1 2 387.842 3.753 20 30 GHEDLO C[C@@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000595518327 858550904 /nfs/dbraw/zinc/55/09/04/858550904.db2.gz VHWVYWKYJZVMOV-YOEHRIQHSA-N 1 2 398.894 3.715 20 30 GHEDLO C[C@@H](c1nc2ccc(Cl)cc2[nH]1)[N@@H+](C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000595518327 858550909 /nfs/dbraw/zinc/55/09/09/858550909.db2.gz VHWVYWKYJZVMOV-YOEHRIQHSA-N 1 2 398.894 3.715 20 30 GHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CC[C@]3(CC3(F)F)C2)c1C#N ZINC000593118730 858663405 /nfs/dbraw/zinc/66/34/05/858663405.db2.gz ROGFCCZMXVIIIP-NRFANRHFSA-N 1 2 398.457 3.695 20 30 GHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CC[C@]3(CC3(F)F)C2)c1C#N ZINC000593118730 858663409 /nfs/dbraw/zinc/66/34/09/858663409.db2.gz ROGFCCZMXVIIIP-NRFANRHFSA-N 1 2 398.457 3.695 20 30 GHEDLO C[C@H](c1nc2ccccc2o1)[NH+]1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 ZINC000595737034 858669830 /nfs/dbraw/zinc/66/98/30/858669830.db2.gz ZZEZATCBEGUBMC-MRXNPFEDSA-N 1 2 398.470 3.973 20 30 GHEDLO Cc1sc(NC(=O)C[NH2+][C@H](CO)c2cccc(Cl)c2Cl)c(C#N)c1C ZINC000595830035 858701356 /nfs/dbraw/zinc/70/13/56/858701356.db2.gz SVYZZYWFWNWOEF-CQSZACIVSA-N 1 2 398.315 3.805 20 30 GHEDLO Cc1cc(N2C[C@@H](C)OC3(CCC3)C2)c(C#N)c(N2C[C@@H](C)OC3(CCC3)C2)[nH+]1 ZINC000596290805 858838278 /nfs/dbraw/zinc/83/82/78/858838278.db2.gz DMFCJYJYVYKVAF-QZTJIDSGSA-N 1 2 396.535 3.557 20 30 GHEDLO Cc1cc(N2C[C@H](C)OC3(CCC3)C2)c(C#N)c(N2C[C@H](C)OC3(CCC3)C2)[nH+]1 ZINC000596290806 858838434 /nfs/dbraw/zinc/83/84/34/858838434.db2.gz DMFCJYJYVYKVAF-ROUUACIJSA-N 1 2 396.535 3.557 20 30 GHEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@]3(CCc4ccccc4O3)C2)c(C#N)c1C ZINC000528732662 858862657 /nfs/dbraw/zinc/86/26/57/858862657.db2.gz DHFCEYPXOREAIG-JOCHJYFZSA-N 1 2 379.460 3.566 20 30 GHEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@]3(CCc4ccccc4O3)C2)c(C#N)c1C ZINC000528732662 858862663 /nfs/dbraw/zinc/86/26/63/858862663.db2.gz DHFCEYPXOREAIG-JOCHJYFZSA-N 1 2 379.460 3.566 20 30 GHEDLO CC(C)(C)OC(=O)[C@H]1C[N@H+](Cc2cnc3ccc(C#N)cn23)Cc2ccccc21 ZINC000597174617 859336791 /nfs/dbraw/zinc/33/67/91/859336791.db2.gz SGLMSWLULSBTMY-FQEVSTJZSA-N 1 2 388.471 3.647 20 30 GHEDLO CC(C)(C)OC(=O)[C@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)Cc2ccccc21 ZINC000597174617 859336804 /nfs/dbraw/zinc/33/68/04/859336804.db2.gz SGLMSWLULSBTMY-FQEVSTJZSA-N 1 2 388.471 3.647 20 30 GHEDLO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000668248805 859381982 /nfs/dbraw/zinc/38/19/82/859381982.db2.gz ZZXOGTYFJOVMPC-GWCFXTLKSA-N 1 2 391.103 3.598 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)c2cc(F)c(C#N)c(F)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000597440227 859551783 /nfs/dbraw/zinc/55/17/83/859551783.db2.gz DWGRYEVRSHXWLG-ZWKOTPCHSA-N 1 2 393.796 3.804 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)c2cc(F)c(C#N)c(F)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000597440227 859551788 /nfs/dbraw/zinc/55/17/88/859551788.db2.gz DWGRYEVRSHXWLG-ZWKOTPCHSA-N 1 2 393.796 3.804 20 30 GHEDLO Cc1cccc(N2CCCN(Cc3ccc(Br)cc3C#N)CC2)[nH+]1 ZINC001141817191 859630512 /nfs/dbraw/zinc/63/05/12/859630512.db2.gz ZWDTUPVNQQHVGX-UHFFFAOYSA-N 1 2 385.309 3.737 20 30 GHEDLO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000483847369 859647902 /nfs/dbraw/zinc/64/79/02/859647902.db2.gz OHKFZHYIHAUNIB-UHFFFAOYSA-N 1 2 396.410 3.887 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)N2Cc3cccc(C#N)c3C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000593383941 859694941 /nfs/dbraw/zinc/69/49/41/859694941.db2.gz CDESZZVSFFZFTE-UXHICEINSA-N 1 2 398.869 3.821 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)N2Cc3cccc(C#N)c3C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000593383941 859694954 /nfs/dbraw/zinc/69/49/54/859694954.db2.gz CDESZZVSFFZFTE-UXHICEINSA-N 1 2 398.869 3.821 20 30 GHEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000602085002 859742162 /nfs/dbraw/zinc/74/21/62/859742162.db2.gz LKVKVZUKYGXJFB-QGZVFWFLSA-N 1 2 378.398 3.933 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+]2CC[C@@](C)(c3ccccc3)C2)c1=S ZINC000765076861 859768113 /nfs/dbraw/zinc/76/81/13/859768113.db2.gz JMQVBPFDUFQZFJ-OAQYLSRUSA-N 1 2 392.532 3.678 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+]2CC[C@@](C)(c3ccccc3)C2)c1=S ZINC000765076861 859768125 /nfs/dbraw/zinc/76/81/25/859768125.db2.gz JMQVBPFDUFQZFJ-OAQYLSRUSA-N 1 2 392.532 3.678 20 30 GHEDLO CC(C)C[C@H](C(=O)N[C@H](C#N)c1ccccc1Br)n1cc[nH+]c1 ZINC000602099281 859775555 /nfs/dbraw/zinc/77/55/55/859775555.db2.gz ZEBKOXWOKQIUKP-HZPDHXFCSA-N 1 2 375.270 3.614 20 30 GHEDLO C[C@H](c1ccncc1)[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000611530650 859801871 /nfs/dbraw/zinc/80/18/71/859801871.db2.gz HJQVXFHNRGRRSY-DNVCBOLYSA-N 1 2 385.309 3.788 20 30 GHEDLO COc1ccc(CN(C(=O)C[NH2+][C@@H](C)CC#N)[C@H](C)Cc2cccs2)cc1 ZINC000602860922 860318235 /nfs/dbraw/zinc/31/82/35/860318235.db2.gz DXWMNEPWJBVMGH-DLBZAZTESA-N 1 2 385.533 3.608 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](c3ccc4cccnc4n3)C2)c(C#N)c1C ZINC000602889936 860346299 /nfs/dbraw/zinc/34/62/99/860346299.db2.gz XHMCOMYDCQBAGK-PBHICJAKSA-N 1 2 389.459 3.528 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](c3ccc4cccnc4n3)C2)c(C#N)c1C ZINC000602889936 860346312 /nfs/dbraw/zinc/34/63/12/860346312.db2.gz XHMCOMYDCQBAGK-PBHICJAKSA-N 1 2 389.459 3.528 20 30 GHEDLO Cc1cc(C#N)cc(C)c1CC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001125130910 860920235 /nfs/dbraw/zinc/92/02/35/860920235.db2.gz KUTGCOUZZNOHNV-OALUTQOASA-N 1 2 391.515 3.966 20 30 GHEDLO Cc1noc([C@@H]2CC[N@H+](CC(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)C2)n1 ZINC000329021233 860952511 /nfs/dbraw/zinc/95/25/11/860952511.db2.gz HXLBBKCNXFCQEF-OAHLLOKOSA-N 1 2 398.463 3.887 20 30 GHEDLO Cc1noc([C@@H]2CC[N@@H+](CC(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)C2)n1 ZINC000329021233 860952522 /nfs/dbraw/zinc/95/25/22/860952522.db2.gz HXLBBKCNXFCQEF-OAHLLOKOSA-N 1 2 398.463 3.887 20 30 GHEDLO C#CCOc1ccccc1[C@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000730424126 861105295 /nfs/dbraw/zinc/10/52/95/861105295.db2.gz PXHRBIUQACPZRG-HNNXBMFYSA-N 1 2 391.383 3.711 20 30 GHEDLO C[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)[C@@H]1CCc2ccccc2C1 ZINC000734001318 863913269 /nfs/dbraw/zinc/91/32/69/863913269.db2.gz AMYSNCIQPOPXGI-QZTJIDSGSA-N 1 2 375.497 3.962 20 30 GHEDLO C[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)[C@@H]1CCc2ccccc2C1 ZINC000734001318 863913279 /nfs/dbraw/zinc/91/32/79/863913279.db2.gz AMYSNCIQPOPXGI-QZTJIDSGSA-N 1 2 375.497 3.962 20 30 GHEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N2Cc3ccc(C#N)cc3C2)C[C@H](C)O1 ZINC000594065315 864004982 /nfs/dbraw/zinc/00/49/82/864004982.db2.gz VUNIFRZJONRYGF-IRXDYDNUSA-N 1 2 390.487 3.715 20 30 GHEDLO CC[C@H](NC(=S)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccs1 ZINC000734369544 864180277 /nfs/dbraw/zinc/18/02/77/864180277.db2.gz CSJNOPVLKKNVNU-SFHVURJKSA-N 1 2 384.574 3.763 20 30 GHEDLO CC(C)(C)c1csc(C2CC[NH+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)n1 ZINC000734484712 864249531 /nfs/dbraw/zinc/24/95/31/864249531.db2.gz ZJVKVWRMVFJNKX-GOSISDBHSA-N 1 2 382.533 3.718 20 30 GHEDLO C=CC[C@@H](NC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccncc1 ZINC000734682890 864382221 /nfs/dbraw/zinc/38/22/21/864382221.db2.gz HBIDYYAHNGQRQG-MOVYNIQHSA-N 1 2 376.504 3.739 20 30 GHEDLO C=CCOc1c(Cl)cc(C[NH2+]C(C)(C)c2nc(C)cc(=O)[nH]2)cc1OC ZINC000628375116 864813070 /nfs/dbraw/zinc/81/30/70/864813070.db2.gz AITUISVBGNGUKS-UHFFFAOYSA-N 1 2 377.872 3.742 20 30 GHEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](CC2=Cc3ccccc3OC2)CC1 ZINC000475349335 864828510 /nfs/dbraw/zinc/82/85/10/864828510.db2.gz OZBKHLVCOZLUFL-NRFANRHFSA-N 1 2 379.891 3.998 20 30 GHEDLO CC(=NNc1cc[nH+]c2ccccc12)c1ccc(S(=O)(=O)CC(F)F)cc1 ZINC000741764658 866771379 /nfs/dbraw/zinc/77/13/79/866771379.db2.gz UCBXNYSATWYWIA-UHFFFAOYSA-N 1 2 389.427 3.532 20 30 GHEDLO Cc1cc(C(N)=[NH+]OCC(=O)N[C@@H](C)c2ccc3ccccc3c2)ccc1F ZINC000920401224 882080671 /nfs/dbraw/zinc/08/06/71/882080671.db2.gz DXNVHJBKRWUUPF-HNNXBMFYSA-N 1 2 379.435 3.802 20 30 GHEDLO C[C@H]1C(=O)N(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)[C@@H]1c1ccccc1 ZINC000743363592 868115160 /nfs/dbraw/zinc/11/51/60/868115160.db2.gz VJQCRJHMYHJOCM-VGSWGCGISA-N 1 2 375.472 3.579 20 30 GHEDLO N#CCCN(C(=O)CCC(=O)Nc1ccccc1-n1cc[nH+]c1)c1ccccc1 ZINC000609091454 869237225 /nfs/dbraw/zinc/23/72/25/869237225.db2.gz VCFNTQNOJQUVOV-UHFFFAOYSA-N 1 2 387.443 3.538 20 30 GHEDLO C[C@@H](CS(C)(=O)=O)[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C1CC1 ZINC000191494343 882489812 /nfs/dbraw/zinc/48/98/12/882489812.db2.gz CWHQPMACHOFHIL-IBGZPJMESA-N 1 2 396.556 3.784 20 30 GHEDLO C[C@@H](CS(C)(=O)=O)[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C1CC1 ZINC000191494343 882489817 /nfs/dbraw/zinc/48/98/17/882489817.db2.gz CWHQPMACHOFHIL-IBGZPJMESA-N 1 2 396.556 3.784 20 30 GHEDLO C[C@@H](C#N)C[N@H+](Cc1cc(Br)cc(Br)c1N)C1CC1 ZINC000463278202 871315942 /nfs/dbraw/zinc/31/59/42/871315942.db2.gz GCDPVUVEQYMQGN-VIFPVBQESA-N 1 2 387.119 3.918 20 30 GHEDLO C[C@@H](C#N)C[N@@H+](Cc1cc(Br)cc(Br)c1N)C1CC1 ZINC000463278202 871315965 /nfs/dbraw/zinc/31/59/65/871315965.db2.gz GCDPVUVEQYMQGN-VIFPVBQESA-N 1 2 387.119 3.918 20 30 GHEDLO C=CC[N@H+](Cc1ccc(OC(C)=O)cc1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001169292529 871375709 /nfs/dbraw/zinc/37/57/09/871375709.db2.gz MCZQYXBOARIXKZ-QFIPXVFZSA-N 1 2 381.472 3.774 20 30 GHEDLO C=CC[N@@H+](Cc1ccc(OC(C)=O)cc1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001169292529 871375724 /nfs/dbraw/zinc/37/57/24/871375724.db2.gz MCZQYXBOARIXKZ-QFIPXVFZSA-N 1 2 381.472 3.774 20 30 GHEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(N[C@@H]2CCc3ccccc3[C@@H]2O)[nH+]1 ZINC001169620708 871682091 /nfs/dbraw/zinc/68/20/91/871682091.db2.gz BCARLCGPLHVMRT-XQSXMBJVSA-N 1 2 385.533 3.731 20 30 GHEDLO C=CCCOc1ccc(C(=O)N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)cc1 ZINC001195122764 872185599 /nfs/dbraw/zinc/18/55/99/872185599.db2.gz HHZXMTVPBBCFFB-IBGZPJMESA-N 1 2 395.503 3.537 20 30 GHEDLO Cc1cc(C)c(NC(=O)CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(Cl)c1 ZINC000022781328 872304680 /nfs/dbraw/zinc/30/46/80/872304680.db2.gz ZUHHTDBUTLEDCI-UHFFFAOYSA-N 1 2 396.922 3.585 20 30 GHEDLO Cn1cc[nH+]c1C[C@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)c1ccccc1 ZINC000619117710 872338217 /nfs/dbraw/zinc/33/82/17/872338217.db2.gz ZXAZTCJUCOIFCS-IBGZPJMESA-N 1 2 397.438 3.661 20 30 GHEDLO N#CCn1c(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc2ccccc21 ZINC000619713244 872911746 /nfs/dbraw/zinc/91/17/46/872911746.db2.gz VHJUZBWLBDXMQD-GOSISDBHSA-N 1 2 387.487 3.717 20 30 GHEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)NCc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000619770427 873009462 /nfs/dbraw/zinc/00/94/62/873009462.db2.gz UKPANIMIGHLQIR-LJQANCHMSA-N 1 2 393.878 3.728 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H](C)N1Cc1ccc(C#N)cc1F ZINC000448524306 873547264 /nfs/dbraw/zinc/54/72/64/873547264.db2.gz GUUMJTKRGTYUHC-IYBDPMFKSA-N 1 2 380.442 3.803 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H](C)N1Cc1ccc(C#N)cc1F ZINC000448524306 873547267 /nfs/dbraw/zinc/54/72/67/873547267.db2.gz GUUMJTKRGTYUHC-IYBDPMFKSA-N 1 2 380.442 3.803 20 30 GHEDLO C[C@@H]1CN(Cc2ccc(C#N)cc2F)C[C@H](C)[N@H+]1Cc1ccc(C#N)cc1F ZINC000448524306 873547271 /nfs/dbraw/zinc/54/72/71/873547271.db2.gz GUUMJTKRGTYUHC-IYBDPMFKSA-N 1 2 380.442 3.803 20 30 GHEDLO C[C@@H]1CN(Cc2ccc(C#N)cc2F)C[C@H](C)[N@@H+]1Cc1ccc(C#N)cc1F ZINC000448524306 873547274 /nfs/dbraw/zinc/54/72/74/873547274.db2.gz GUUMJTKRGTYUHC-IYBDPMFKSA-N 1 2 380.442 3.803 20 30 GHEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccccc1Sc1ccccc1C#N ZINC000464527981 874021688 /nfs/dbraw/zinc/02/16/88/874021688.db2.gz RHSGKVNAWZOJBK-QGZVFWFLSA-N 1 2 395.528 3.502 20 30 GHEDLO C#CCOc1ccccc1C[N@H+]1CCC[C@H]1C(=O)Nc1cc(C)ccc1OC ZINC000769450840 874077877 /nfs/dbraw/zinc/07/78/77/874077877.db2.gz HVTFWQWFLSOZCC-FQEVSTJZSA-N 1 2 378.472 3.619 20 30 GHEDLO C#CCOc1ccccc1C[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C)ccc1OC ZINC000769450840 874077893 /nfs/dbraw/zinc/07/78/93/874077893.db2.gz HVTFWQWFLSOZCC-FQEVSTJZSA-N 1 2 378.472 3.619 20 30 GHEDLO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H](C)c1nc(C2CCCCC2)no1 ZINC000541681920 874118846 /nfs/dbraw/zinc/11/88/46/874118846.db2.gz JNEFGNCCOBANGV-QFBILLFUSA-N 1 2 385.508 3.936 20 30 GHEDLO C[C@@H]1CN(c2ccccc2C=[NH+]Nc2ccnc(Br)c2)CCO1 ZINC000769803420 874297073 /nfs/dbraw/zinc/29/70/73/874297073.db2.gz MWXWHWPPDYHNNG-CYBMUJFWSA-N 1 2 375.270 3.515 20 30 GHEDLO C#C[C@@H](NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21)c1ccc(Cl)cc1F ZINC000804425242 882834700 /nfs/dbraw/zinc/83/47/00/882834700.db2.gz UFDNMRAYINRFBP-MRXNPFEDSA-N 1 2 391.780 3.906 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH+]2CCC(OCC3CC3)CC2)c1C#N ZINC000464815726 874544724 /nfs/dbraw/zinc/54/47/24/874544724.db2.gz QQVFHXLMCYLLGD-UHFFFAOYSA-N 1 2 398.551 3.921 20 30 GHEDLO CCCCOC1CC[NH+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000464862986 874663731 /nfs/dbraw/zinc/66/37/31/874663731.db2.gz YULLAFQKVNWXLG-CQSZACIVSA-N 1 2 375.538 3.717 20 30 GHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2Cc3ccccc3OC[C@H]2C)c1C ZINC000542019354 874784366 /nfs/dbraw/zinc/78/43/66/874784366.db2.gz CAGIUPBPJDNJQA-GOSISDBHSA-N 1 2 377.488 3.833 20 30 GHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2Cc3ccccc3OC[C@H]2C)c1C ZINC000542019354 874784370 /nfs/dbraw/zinc/78/43/70/874784370.db2.gz CAGIUPBPJDNJQA-GOSISDBHSA-N 1 2 377.488 3.833 20 30 GHEDLO COc1cccc([C@H]2C[N@H+](CC(=O)Nc3oc(C)c(C)c3C#N)CC2(C)C)c1 ZINC000528618295 874802857 /nfs/dbraw/zinc/80/28/57/874802857.db2.gz FCJMGNYVKLNUTF-LJQANCHMSA-N 1 2 381.476 3.841 20 30 GHEDLO COc1cccc([C@H]2C[N@@H+](CC(=O)Nc3oc(C)c(C)c3C#N)CC2(C)C)c1 ZINC000528618295 874802874 /nfs/dbraw/zinc/80/28/74/874802874.db2.gz FCJMGNYVKLNUTF-LJQANCHMSA-N 1 2 381.476 3.841 20 30 GHEDLO C#CC[C@H](Cc1ccccc1)NC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000804454755 882868313 /nfs/dbraw/zinc/86/83/13/882868313.db2.gz UYGXMEVUGBAUEO-JOCHJYFZSA-N 1 2 384.483 3.762 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(c3cccc4[nH]ccc43)CC2)c(OC(F)F)c1 ZINC000528761261 875008321 /nfs/dbraw/zinc/00/83/21/875008321.db2.gz INIRMUHVVOHESV-UHFFFAOYSA-N 1 2 382.414 3.963 20 30 GHEDLO Cc1nc2sc3c(c2c(=O)n1N=Cc1cccc2[nH+]ccn21)CCCCC3 ZINC000771087741 875024645 /nfs/dbraw/zinc/02/46/45/875024645.db2.gz HPFPDFBPDRXTLK-UHFFFAOYSA-N 1 2 377.473 3.565 20 30 GHEDLO FC(F)(F)c1cc(N=NCc2cccc3[nH+]ccn32)nc(-c2cccnc2)n1 ZINC000771099081 875040458 /nfs/dbraw/zinc/04/04/58/875040458.db2.gz CZCLKDZCUWPJOF-UHFFFAOYSA-N 1 2 383.337 3.651 20 30 GHEDLO C=CC[N@@H+](CCn1c(C)csc1=O)Cc1cc(Br)ccc1F ZINC000303138164 875079198 /nfs/dbraw/zinc/07/91/98/875079198.db2.gz TVEBMUSXVWKRBI-UHFFFAOYSA-N 1 2 385.302 3.808 20 30 GHEDLO C=CC[N@H+](CCn1c(C)csc1=O)Cc1cc(Br)ccc1F ZINC000303138164 875079203 /nfs/dbraw/zinc/07/92/03/875079203.db2.gz TVEBMUSXVWKRBI-UHFFFAOYSA-N 1 2 385.302 3.808 20 30 GHEDLO COCc1ccc(NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cc1C#N ZINC000529213069 875837426 /nfs/dbraw/zinc/83/74/26/875837426.db2.gz NVIWINKBXCYXMY-HNNXBMFYSA-N 1 2 384.505 3.677 20 30 GHEDLO C[N@@H+]1CCO[C@H]([C@@H](Nc2cccc(C#N)c2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000450403591 876383658 /nfs/dbraw/zinc/38/36/58/876383658.db2.gz BMKUUDUEJHMFPC-ROUUACIJSA-N 1 2 386.839 3.604 20 30 GHEDLO C[N@H+]1CCO[C@H]([C@@H](Nc2cccc(C#N)c2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000450403591 876383669 /nfs/dbraw/zinc/38/36/69/876383669.db2.gz BMKUUDUEJHMFPC-ROUUACIJSA-N 1 2 386.839 3.604 20 30 GHEDLO N#Cc1cccc(N2CCN(c3[nH+]ccc4cc(C(F)(F)F)ccc43)CC2)n1 ZINC000450442471 876434295 /nfs/dbraw/zinc/43/42/95/876434295.db2.gz XOCFHZXBEGVLKA-UHFFFAOYSA-N 1 2 383.377 3.847 20 30 GHEDLO C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000746591470 876808851 /nfs/dbraw/zinc/80/88/51/876808851.db2.gz GGXWBWDEUBTYNZ-UHFFFAOYSA-N 1 2 399.454 3.553 20 30 GHEDLO Cc1ccc(OCCO[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)cc1 ZINC000109392027 877015165 /nfs/dbraw/zinc/01/51/65/877015165.db2.gz XZKQVTONUXTLHY-UHFFFAOYSA-N 1 2 377.444 3.685 20 30 GHEDLO Cc1c(Cl)cccc1N1CCC[N@H+](CC(=O)Nc2sccc2C#N)CC1 ZINC000551450889 877229792 /nfs/dbraw/zinc/22/97/92/877229792.db2.gz MDORRBNYACRRRT-UHFFFAOYSA-N 1 2 388.924 3.732 20 30 GHEDLO Cc1c(Cl)cccc1N1CCC[N@@H+](CC(=O)Nc2sccc2C#N)CC1 ZINC000551450889 877229799 /nfs/dbraw/zinc/22/97/99/877229799.db2.gz MDORRBNYACRRRT-UHFFFAOYSA-N 1 2 388.924 3.732 20 30 GHEDLO COc1ccc(CNC(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)cc1C#N ZINC000746667578 877312318 /nfs/dbraw/zinc/31/23/18/877312318.db2.gz AULBJFYQGLNLBM-CQSZACIVSA-N 1 2 399.520 3.577 20 30 GHEDLO COc1ccc(CNC(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)cc1C#N ZINC000746667578 877312337 /nfs/dbraw/zinc/31/23/37/877312337.db2.gz AULBJFYQGLNLBM-CQSZACIVSA-N 1 2 399.520 3.577 20 30 GHEDLO N#Cc1cccc(COc2cccc(C[NH2+][C@H](C(N)=O)c3ccc(F)cc3)c2)c1 ZINC000130776503 877448293 /nfs/dbraw/zinc/44/82/93/877448293.db2.gz NWKAJIYNKFGCHA-QFIPXVFZSA-N 1 2 389.430 3.593 20 30 GHEDLO OC[C@@]1(F)C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H]1c1ccccc1 ZINC000451277929 877700651 /nfs/dbraw/zinc/70/06/51/877700651.db2.gz BRHMGFBNYMIUPW-PMACEKPBSA-N 1 2 393.380 3.737 20 30 GHEDLO OC[C@@]1(F)C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H]1c1ccccc1 ZINC000451277929 877700669 /nfs/dbraw/zinc/70/06/69/877700669.db2.gz BRHMGFBNYMIUPW-PMACEKPBSA-N 1 2 393.380 3.737 20 30 GHEDLO C#CCOc1ccc([C@@H](C)OC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)cc1 ZINC000796691896 877845962 /nfs/dbraw/zinc/84/59/62/877845962.db2.gz LFZICSXEVSTAGD-CYBMUJFWSA-N 1 2 384.382 3.939 20 30 GHEDLO N#Cc1ccc(CCC(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)cc1 ZINC000788248782 877951700 /nfs/dbraw/zinc/95/17/00/877951700.db2.gz XKPJXDPXQUQQHN-IBGZPJMESA-N 1 2 376.504 3.935 20 30 GHEDLO N#Cc1ccc(CCC(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)cc1 ZINC000788248782 877951714 /nfs/dbraw/zinc/95/17/14/877951714.db2.gz XKPJXDPXQUQQHN-IBGZPJMESA-N 1 2 376.504 3.935 20 30 GHEDLO C[C@H](OC[C@@H](O)C[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1)c1ccc(Cl)cc1 ZINC000852327693 878243462 /nfs/dbraw/zinc/24/34/62/878243462.db2.gz UTIZTNTWINCQDO-XJABCFGWSA-N 1 2 399.922 3.731 20 30 GHEDLO C[C@H](OC[C@@H](O)C[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1)c1ccc(Cl)cc1 ZINC000852327693 878243480 /nfs/dbraw/zinc/24/34/80/878243480.db2.gz UTIZTNTWINCQDO-XJABCFGWSA-N 1 2 399.922 3.731 20 30 GHEDLO CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852329471 878245397 /nfs/dbraw/zinc/24/53/97/878245397.db2.gz BBLAQQHYOJEWGP-OAQYLSRUSA-N 1 2 380.517 3.689 20 30 GHEDLO CSc1ccccc1NC(=O)CC[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852329471 878245405 /nfs/dbraw/zinc/24/54/05/878245405.db2.gz BBLAQQHYOJEWGP-OAQYLSRUSA-N 1 2 380.517 3.689 20 30 GHEDLO COc1cccc(OC)c1OCCCC[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852333374 878251593 /nfs/dbraw/zinc/25/15/93/878251593.db2.gz KTOUYAQWJMZYII-QHCPKHFHSA-N 1 2 395.503 3.815 20 30 GHEDLO COc1cccc(OC)c1OCCCC[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852333374 878251610 /nfs/dbraw/zinc/25/16/10/878251610.db2.gz KTOUYAQWJMZYII-QHCPKHFHSA-N 1 2 395.503 3.815 20 30 GHEDLO CN(C)C(=O)Sc1cccc(C[NH+]2CCN(c3ccsc3C#N)CC2)c1 ZINC000852343492 878264669 /nfs/dbraw/zinc/26/46/69/878264669.db2.gz DRAIGNNJAICEJN-UHFFFAOYSA-N 1 2 386.546 3.716 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCSC[C@H]1C1CC1 ZINC000451658492 878304247 /nfs/dbraw/zinc/30/42/47/878304247.db2.gz XSVWJTHNEZAOQW-YOEHRIQHSA-N 1 2 375.563 3.704 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCSC[C@H]1C1CC1 ZINC000451658492 878304266 /nfs/dbraw/zinc/30/42/66/878304266.db2.gz XSVWJTHNEZAOQW-YOEHRIQHSA-N 1 2 375.563 3.704 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c1C ZINC000530778190 878477407 /nfs/dbraw/zinc/47/74/07/878477407.db2.gz LVFONIKICYVQRW-UHFFFAOYSA-N 1 2 377.488 3.889 20 30 GHEDLO Cc1nc(-c2ccc(Br)cc2Cl)nn1C[NH+]1CCC(C#N)CC1 ZINC000111163359 878900414 /nfs/dbraw/zinc/90/04/14/878900414.db2.gz OACUGKCTZKZUJJ-UHFFFAOYSA-N 1 2 394.704 3.863 20 30 GHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1nc2n(c1=S)c1ccccc1c(=O)n2CCC ZINC000853598798 879155149 /nfs/dbraw/zinc/15/51/49/879155149.db2.gz GAHLRZFVCNSHQV-IYBDPMFKSA-N 1 2 395.532 3.731 20 30 GHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1nc2n(c1=S)c1ccccc1c(=O)n2CCC ZINC000853598798 879155157 /nfs/dbraw/zinc/15/51/57/879155157.db2.gz GAHLRZFVCNSHQV-IYBDPMFKSA-N 1 2 395.532 3.731 20 30 GHEDLO C#CCCCOc1ccc[nH+]c1NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000853618685 879174869 /nfs/dbraw/zinc/17/48/69/879174869.db2.gz KMNZYEXOUJYHRO-UHFFFAOYSA-N 1 2 386.883 3.572 20 30 GHEDLO C#CCOc1cc(F)ccc1NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000152565989 879403757 /nfs/dbraw/zinc/40/37/57/879403757.db2.gz MHOMFJBOPPXRLN-UHFFFAOYSA-N 1 2 383.448 3.666 20 30 GHEDLO C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1cc(C#N)ccc1Br ZINC000617210268 879512255 /nfs/dbraw/zinc/51/22/55/879512255.db2.gz CQTSYZHZDOEYTN-UHFFFAOYSA-N 1 2 398.304 3.845 20 30 GHEDLO C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1cc(C#N)ccc1Br ZINC000617210268 879512262 /nfs/dbraw/zinc/51/22/62/879512262.db2.gz CQTSYZHZDOEYTN-UHFFFAOYSA-N 1 2 398.304 3.845 20 30 GHEDLO Cc1cccc(S(=O)(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1C#N ZINC000790424155 879704697 /nfs/dbraw/zinc/70/46/97/879704697.db2.gz OBWMHGBNRRWDHD-UHFFFAOYSA-N 1 2 393.468 3.834 20 30 GHEDLO N#Cc1ccc(S(=O)(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)s1 ZINC000790425008 879707042 /nfs/dbraw/zinc/70/70/42/879707042.db2.gz VGACJPYIHMIXQR-UHFFFAOYSA-N 1 2 385.470 3.587 20 30 GHEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+](CCOC)[C@@H]2CC[C@@H](C)C2)c1=S ZINC000790478155 879749842 /nfs/dbraw/zinc/74/98/42/879749842.db2.gz JWRQXKXYTWDGJW-IAGOWNOFSA-N 1 2 387.553 3.757 20 30 GHEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+](CCOC)[C@@H]2CC[C@@H](C)C2)c1=S ZINC000790478155 879749846 /nfs/dbraw/zinc/74/98/46/879749846.db2.gz JWRQXKXYTWDGJW-IAGOWNOFSA-N 1 2 387.553 3.757 20 30 GHEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+](CCOC)[C@H]2CC[C@@H](C)C2)c1=S ZINC000790475811 879749931 /nfs/dbraw/zinc/74/99/31/879749931.db2.gz BZSVHWQPALNITH-AEFFLSMTSA-N 1 2 387.553 3.757 20 30 GHEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+](CCOC)[C@H]2CC[C@@H](C)C2)c1=S ZINC000790475811 879749934 /nfs/dbraw/zinc/74/99/34/879749934.db2.gz BZSVHWQPALNITH-AEFFLSMTSA-N 1 2 387.553 3.757 20 30 GHEDLO CC(C)(C)OC(=O)NCc1ccc(C(N)=[NH+]OCc2ccc(C#N)c(F)c2)cc1 ZINC000790506648 879779765 /nfs/dbraw/zinc/77/97/65/879779765.db2.gz IAQJNVRKCCKDEJ-UHFFFAOYSA-N 1 2 398.438 3.559 20 30 GHEDLO C=CCN1CC[C@H]([NH2+][C@@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)C1=O ZINC000538610114 879853119 /nfs/dbraw/zinc/85/31/19/879853119.db2.gz PNEDSBOMOIEDDX-RXVVDRJESA-N 1 2 398.890 3.577 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000246980031 879870984 /nfs/dbraw/zinc/87/09/84/879870984.db2.gz JRHRLKOEWMTPFE-YHAMSUFESA-N 1 2 390.574 3.521 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000246980031 879870996 /nfs/dbraw/zinc/87/09/96/879870996.db2.gz JRHRLKOEWMTPFE-YHAMSUFESA-N 1 2 390.574 3.521 20 30 GHEDLO COc1ccc([C@@H](CO)[N@H+](C)CC(=O)/C=C2\N(C)c3ccccc3C2(C)C)cc1 ZINC000112623533 880051453 /nfs/dbraw/zinc/05/14/53/880051453.db2.gz XGTZVDJMLXONLT-QPHMKDBKSA-N 1 2 394.515 3.541 20 30 GHEDLO COc1ccc([C@@H](CO)[N@@H+](C)CC(=O)/C=C2\N(C)c3ccccc3C2(C)C)cc1 ZINC000112623533 880051466 /nfs/dbraw/zinc/05/14/66/880051466.db2.gz XGTZVDJMLXONLT-QPHMKDBKSA-N 1 2 394.515 3.541 20 30 GHEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](Cc2cccc3nsnc32)CC1 ZINC000791619775 880545932 /nfs/dbraw/zinc/54/59/32/880545932.db2.gz NXCLRMQANOHQGE-SFHVURJKSA-N 1 2 383.908 3.727 20 30 GHEDLO C=C[C@@H](CC(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1)c1ccccc1 ZINC000187166975 881088762 /nfs/dbraw/zinc/08/87/62/881088762.db2.gz PFYLXBNYWXXMHG-NRFANRHFSA-N 1 2 391.515 3.649 20 30 GHEDLO N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(n4cc[nH+]c4)CC3)cn2)c1 ZINC000609553768 883366844 /nfs/dbraw/zinc/36/68/44/883366844.db2.gz IZMAJGWIXIJHLJ-UHFFFAOYSA-N 1 2 388.431 3.811 20 30 GHEDLO N#CC1(C(=O)N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)CCC1 ZINC000609855500 883735261 /nfs/dbraw/zinc/73/52/61/883735261.db2.gz AHRFQEMPIPYLOO-UHFFFAOYSA-N 1 2 383.492 3.892 20 30 GHEDLO N#Cc1cccc([C@@H]2C[N@H+](CCOc3ccc(Br)cc3)CCO2)c1 ZINC000761765161 884147869 /nfs/dbraw/zinc/14/78/69/884147869.db2.gz JIKPFDGVRRBLCL-IBGZPJMESA-N 1 2 387.277 3.773 20 30 GHEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCOc3ccc(Br)cc3)CCO2)c1 ZINC000761765161 884147876 /nfs/dbraw/zinc/14/78/76/884147876.db2.gz JIKPFDGVRRBLCL-IBGZPJMESA-N 1 2 387.277 3.773 20 30 GHEDLO Cc1cc(Br)cc(C[NH2+]Cc2nc(C#N)cs2)c1OC(F)F ZINC000897628241 884210679 /nfs/dbraw/zinc/21/06/79/884210679.db2.gz FFRTYWLVLFJMAC-UHFFFAOYSA-N 1 2 388.237 3.977 20 30 GHEDLO NC(=[NH+]OCc1nnc(C2CC2)s1)c1ccc(OCc2ccccc2)cc1 ZINC000842027100 884599318 /nfs/dbraw/zinc/59/93/18/884599318.db2.gz OBLWYZUNVXZZGQ-UHFFFAOYSA-N 1 2 380.473 3.832 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC(F)(F)C1 ZINC001183841921 912846736 /nfs/dbraw/zinc/84/67/36/912846736.db2.gz PYWLGLQPDATGLM-QFBILLFUSA-N 1 2 375.463 3.854 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC(F)(F)C1 ZINC001183841921 912846744 /nfs/dbraw/zinc/84/67/44/912846744.db2.gz PYWLGLQPDATGLM-QFBILLFUSA-N 1 2 375.463 3.854 20 30 GHEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000532492630 885856564 /nfs/dbraw/zinc/85/65/64/885856564.db2.gz DJTRXEYPMOXTFN-FQEVSTJZSA-N 1 2 389.434 3.659 20 30 GHEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000532492630 885856583 /nfs/dbraw/zinc/85/65/83/885856583.db2.gz DJTRXEYPMOXTFN-FQEVSTJZSA-N 1 2 389.434 3.659 20 30 GHEDLO Cc1nsc(Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)c1C#N ZINC000808046323 885989152 /nfs/dbraw/zinc/98/91/52/885989152.db2.gz YTXAAAWQJSBEDZ-UHFFFAOYSA-N 1 2 392.326 3.581 20 30 GHEDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(C#N)cc1Br ZINC001137639596 886072459 /nfs/dbraw/zinc/07/24/59/886072459.db2.gz CWPRBJJPTMWXDY-DOMZBBRYSA-N 1 2 394.313 3.808 20 30 GHEDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(C#N)cc1Br ZINC001137639596 886072476 /nfs/dbraw/zinc/07/24/76/886072476.db2.gz CWPRBJJPTMWXDY-DOMZBBRYSA-N 1 2 394.313 3.808 20 30 GHEDLO CC[N@H+](CC(=O)N1CCC[C@@]2(CCCCO2)[C@H]1C#N)Cc1ccccc1Cl ZINC000556785585 886169642 /nfs/dbraw/zinc/16/96/42/886169642.db2.gz PWHUFFHPUPHOLO-CTNGQTDRSA-N 1 2 389.927 3.616 20 30 GHEDLO CC[N@@H+](CC(=O)N1CCC[C@@]2(CCCCO2)[C@H]1C#N)Cc1ccccc1Cl ZINC000556785585 886169654 /nfs/dbraw/zinc/16/96/54/886169654.db2.gz PWHUFFHPUPHOLO-CTNGQTDRSA-N 1 2 389.927 3.616 20 30 GHEDLO CC[N@H+](CC(=O)N1CCC[C@]2(CCCCO2)[C@@H]1C#N)Cc1ccccc1Cl ZINC000556785587 886170307 /nfs/dbraw/zinc/17/03/07/886170307.db2.gz PWHUFFHPUPHOLO-PZJWPPBQSA-N 1 2 389.927 3.616 20 30 GHEDLO CC[N@@H+](CC(=O)N1CCC[C@]2(CCCCO2)[C@@H]1C#N)Cc1ccccc1Cl ZINC000556785587 886170315 /nfs/dbraw/zinc/17/03/15/886170315.db2.gz PWHUFFHPUPHOLO-PZJWPPBQSA-N 1 2 389.927 3.616 20 30 GHEDLO Cc1nc(Sc2nnc([C@@H](C)[NH+](C)C)n2-c2ccc(F)cc2)ccc1C#N ZINC000487948926 886346697 /nfs/dbraw/zinc/34/66/97/886346697.db2.gz QNFIYGACLXSMBG-CYBMUJFWSA-N 1 2 382.468 3.755 20 30 GHEDLO C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccc(C#N)cc1 ZINC000536534190 886835690 /nfs/dbraw/zinc/83/56/90/886835690.db2.gz SACVMAYSSVFYBT-CJMONDIMSA-N 1 2 384.430 3.642 20 30 GHEDLO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccc(C#N)cc1 ZINC000536534190 886835706 /nfs/dbraw/zinc/83/57/06/886835706.db2.gz SACVMAYSSVFYBT-CJMONDIMSA-N 1 2 384.430 3.642 20 30 GHEDLO C=CCN(C(=O)C[N@H+](C)Cc1cc2c(C)cc(=O)oc2cc1O)C1CCCCC1 ZINC001184362037 913146513 /nfs/dbraw/zinc/14/65/13/913146513.db2.gz VMLYHVOECMGRKG-UHFFFAOYSA-N 1 2 398.503 3.586 20 30 GHEDLO C=CCN(C(=O)C[N@@H+](C)Cc1cc2c(C)cc(=O)oc2cc1O)C1CCCCC1 ZINC001184362037 913146500 /nfs/dbraw/zinc/14/65/00/913146500.db2.gz VMLYHVOECMGRKG-UHFFFAOYSA-N 1 2 398.503 3.586 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000193877116 887792723 /nfs/dbraw/zinc/79/27/23/887792723.db2.gz PYGFIQMOBZBTAL-CQSZACIVSA-N 1 2 385.414 3.707 20 30 GHEDLO CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810530262 888600696 /nfs/dbraw/zinc/60/06/96/888600696.db2.gz ZILNABJLAJVRGZ-VGOFRKELSA-N 1 2 387.499 3.671 20 30 GHEDLO CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810530262 888600705 /nfs/dbraw/zinc/60/07/05/888600705.db2.gz ZILNABJLAJVRGZ-VGOFRKELSA-N 1 2 387.499 3.671 20 30 GHEDLO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1cccc(C#N)c1O ZINC000866266432 888807715 /nfs/dbraw/zinc/80/77/15/888807715.db2.gz IIAPZXBTNRSFSE-HUUCEWRRSA-N 1 2 383.467 3.776 20 30 GHEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCC[C@@H](COc3ccccc3Cl)C2)cc1 ZINC000532825468 889019767 /nfs/dbraw/zinc/01/97/67/889019767.db2.gz QFHYIWAQHGGDCF-OXQOHEQNSA-N 1 2 383.879 3.529 20 30 GHEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCC[C@@H](COc3ccccc3Cl)C2)cc1 ZINC000532825468 889019786 /nfs/dbraw/zinc/01/97/86/889019786.db2.gz QFHYIWAQHGGDCF-OXQOHEQNSA-N 1 2 383.879 3.529 20 30 GHEDLO C#CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(Cl)c(O)c(Cl)c3)CC2)C1=O ZINC001275321654 913337101 /nfs/dbraw/zinc/33/71/01/913337101.db2.gz FWQOTWNHAPJIBE-IBGZPJMESA-N 1 2 381.303 3.537 20 30 GHEDLO C#CCN1CC[C@@]2(CCC[N@H+](Cc3cc(Cl)c(O)c(Cl)c3)CC2)C1=O ZINC001275321654 913337143 /nfs/dbraw/zinc/33/71/43/913337143.db2.gz FWQOTWNHAPJIBE-IBGZPJMESA-N 1 2 381.303 3.537 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000811454083 889612400 /nfs/dbraw/zinc/61/24/00/889612400.db2.gz GDPZWARHDOPOAR-GOEBONIOSA-N 1 2 376.526 3.626 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000811454083 889612408 /nfs/dbraw/zinc/61/24/08/889612408.db2.gz GDPZWARHDOPOAR-GOEBONIOSA-N 1 2 376.526 3.626 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000811458510 889618524 /nfs/dbraw/zinc/61/85/24/889618524.db2.gz MZHQAWLCWZKNPX-HZPDHXFCSA-N 1 2 376.526 3.769 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCC[N@H+]1Cc1nc(C#N)cs1 ZINC000811458510 889618527 /nfs/dbraw/zinc/61/85/27/889618527.db2.gz MZHQAWLCWZKNPX-HZPDHXFCSA-N 1 2 376.526 3.769 20 30 GHEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000064248277 889883134 /nfs/dbraw/zinc/88/31/34/889883134.db2.gz DVDFKGTXGYMULL-SFHVURJKSA-N 1 2 392.478 3.708 20 30 GHEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000064248277 889883136 /nfs/dbraw/zinc/88/31/36/889883136.db2.gz DVDFKGTXGYMULL-SFHVURJKSA-N 1 2 392.478 3.708 20 30 GHEDLO C#C[C@H]1CC[C@H](NC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC001133096604 890183710 /nfs/dbraw/zinc/18/37/10/890183710.db2.gz DBUVHCXFVNORAI-SNRMKQJTSA-N 1 2 389.337 3.894 20 30 GHEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)CC1 ZINC000533417906 890504012 /nfs/dbraw/zinc/50/40/12/890504012.db2.gz SFXFPGIBXWGENJ-QGZVFWFLSA-N 1 2 393.487 3.927 20 30 GHEDLO Cc1cc(C)c(NC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)c(C)[nH+]1 ZINC000455508635 891071263 /nfs/dbraw/zinc/07/12/63/891071263.db2.gz GHFRXBXXPRPQJY-UHFFFAOYSA-N 1 2 383.883 3.886 20 30 GHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCc1ccc(C#N)c(F)c1 ZINC000455541698 891118273 /nfs/dbraw/zinc/11/82/73/891118273.db2.gz MWGHJXZJKCRZIF-UHFFFAOYSA-N 1 2 395.482 3.540 20 30 GHEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CC2(c3ccc(F)cc3)CC2)CC1=O ZINC000917141166 891457459 /nfs/dbraw/zinc/45/74/59/891457459.db2.gz OFRBLQVZJSHBNM-UHFFFAOYSA-N 1 2 390.462 3.517 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCCN(c3ccc(C)cc3)CC2)c(C#N)c1C ZINC000917211856 891629896 /nfs/dbraw/zinc/62/98/96/891629896.db2.gz LXSMVXJWXASQEY-QGZVFWFLSA-N 1 2 380.492 3.616 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCCN(c3ccc(C)cc3)CC2)c(C#N)c1C ZINC000917211856 891629900 /nfs/dbraw/zinc/62/99/00/891629900.db2.gz LXSMVXJWXASQEY-QGZVFWFLSA-N 1 2 380.492 3.616 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+](C[C@H]2CCOC2)C2CC2)c1=S ZINC000917451462 892019127 /nfs/dbraw/zinc/01/91/27/892019127.db2.gz VWRSJBPYHQWBDL-OAHLLOKOSA-N 1 2 388.512 3.865 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+](C[C@H]2CCOC2)C2CC2)c1=S ZINC000917451462 892019148 /nfs/dbraw/zinc/01/91/48/892019148.db2.gz VWRSJBPYHQWBDL-OAHLLOKOSA-N 1 2 388.512 3.865 20 30 GHEDLO C=CCS(=O)(=O)CC[NH2+]Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000272838401 892937121 /nfs/dbraw/zinc/93/71/21/892937121.db2.gz MHCKLWLSLXMBNK-UHFFFAOYSA-N 1 2 391.345 3.807 20 30 GHEDLO C=CCn1cc2ccc(NC(=O)NCc3cc[nH+]c(N4CCCC4)c3)cc2n1 ZINC000933691063 893134709 /nfs/dbraw/zinc/13/47/09/893134709.db2.gz NLPUJZQULCNZIB-UHFFFAOYSA-N 1 2 376.464 3.539 20 30 GHEDLO N#Cc1cnc(Cl)c(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)c1 ZINC000876612258 893255900 /nfs/dbraw/zinc/25/59/00/893255900.db2.gz HHBVFDWBPCOISP-ZDUSSCGKSA-N 1 2 390.274 3.506 20 30 GHEDLO N#Cc1cnc(Cl)c(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)c1 ZINC000876612258 893255915 /nfs/dbraw/zinc/25/59/15/893255915.db2.gz HHBVFDWBPCOISP-ZDUSSCGKSA-N 1 2 390.274 3.506 20 30 GHEDLO CC(N=Nc1nnc(-c2ccccc2)s1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000814947159 893294534 /nfs/dbraw/zinc/29/45/34/893294534.db2.gz DNRIUQJRFBQSMW-IBGZPJMESA-N 1 2 393.516 3.894 20 30 GHEDLO CC(N=Nc1nnc(-c2ccccc2)s1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000814947159 893294550 /nfs/dbraw/zinc/29/45/50/893294550.db2.gz DNRIUQJRFBQSMW-IBGZPJMESA-N 1 2 393.516 3.894 20 30 GHEDLO CC[C@@H]1C[N@H+](Cc2cc(C#N)cnc2Cl)CC[C@H]1NC(=O)OC(C)(C)C ZINC000876762329 893317521 /nfs/dbraw/zinc/31/75/21/893317521.db2.gz ABVPABMRSFUQKJ-GDBMZVCRSA-N 1 2 378.904 3.732 20 30 GHEDLO CC[C@@H]1C[N@@H+](Cc2cc(C#N)cnc2Cl)CC[C@H]1NC(=O)OC(C)(C)C ZINC000876762329 893317541 /nfs/dbraw/zinc/31/75/41/893317541.db2.gz ABVPABMRSFUQKJ-GDBMZVCRSA-N 1 2 378.904 3.732 20 30 GHEDLO C=CCN(CCc1ccco1)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000498121608 893336411 /nfs/dbraw/zinc/33/64/11/893336411.db2.gz SLDZWFNULNXMIQ-UHFFFAOYSA-N 1 2 378.476 3.507 20 30 GHEDLO COc1c(C)c[nH+]c(CNc2ccc3c(c2)CCC(=O)N3CCCC#N)c1C ZINC000877466330 893624125 /nfs/dbraw/zinc/62/41/25/893624125.db2.gz IAFHJDJSSFWMHP-UHFFFAOYSA-N 1 2 378.476 3.902 20 30 GHEDLO Cc1cc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cnc1C(F)F ZINC000934610818 893738762 /nfs/dbraw/zinc/73/87/62/893738762.db2.gz AOIQYNIHTRPKKF-UHFFFAOYSA-N 1 2 385.418 3.549 20 30 GHEDLO COCC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1c(C)nn(C)c1C ZINC000459562043 893825392 /nfs/dbraw/zinc/82/53/92/893825392.db2.gz FILZSAZYZHNUQM-UHFFFAOYSA-N 1 2 379.426 3.556 20 30 GHEDLO COCC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1c(C)nn(C)c1C ZINC000459562043 893825408 /nfs/dbraw/zinc/82/54/08/893825408.db2.gz FILZSAZYZHNUQM-UHFFFAOYSA-N 1 2 379.426 3.556 20 30 GHEDLO COc1ccccc1-c1nc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)co1 ZINC000877943467 893905032 /nfs/dbraw/zinc/90/50/32/893905032.db2.gz IMBSILVPMZBAQT-UHFFFAOYSA-N 1 2 388.471 3.540 20 30 GHEDLO CSc1cccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000537110942 894359251 /nfs/dbraw/zinc/35/92/51/894359251.db2.gz ZWFHRYQCBROWPO-UHFFFAOYSA-N 1 2 380.517 3.938 20 30 GHEDLO N#Cc1cccc(COc2cccc(C[N@@H+]3CCOC[C@@H]3[C@@H]3CCCO3)c2)c1 ZINC000564307980 894844630 /nfs/dbraw/zinc/84/46/30/894844630.db2.gz ZQDHFNJROAJQOH-PKTZIBPZSA-N 1 2 378.472 3.517 20 30 GHEDLO N#Cc1cccc(COc2cccc(C[N@H+]3CCOC[C@@H]3[C@@H]3CCCO3)c2)c1 ZINC000564307980 894844638 /nfs/dbraw/zinc/84/46/38/894844638.db2.gz ZQDHFNJROAJQOH-PKTZIBPZSA-N 1 2 378.472 3.517 20 30 GHEDLO Cn1cc(C[N@@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)c(-c2ccc(F)cc2)n1 ZINC000897595448 895224060 /nfs/dbraw/zinc/22/40/60/895224060.db2.gz BUWABESCEVKDME-NRFANRHFSA-N 1 2 376.435 3.671 20 30 GHEDLO Cn1cc(C[N@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)c(-c2ccc(F)cc2)n1 ZINC000897595448 895224077 /nfs/dbraw/zinc/22/40/77/895224077.db2.gz BUWABESCEVKDME-NRFANRHFSA-N 1 2 376.435 3.671 20 30 GHEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3scc(C)c3C#N)CC2)c1 ZINC000565163019 895432196 /nfs/dbraw/zinc/43/21/96/895432196.db2.gz OMSCGBHELSICHC-OAHLLOKOSA-N 1 2 384.505 3.848 20 30 GHEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1[C@H]1CCc2cccc(Cl)c2C1 ZINC001170931052 896817484 /nfs/dbraw/zinc/81/74/84/896817484.db2.gz MAQKMPPWNZYHQA-JXFKEZNVSA-N 1 2 386.927 3.611 20 30 GHEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1[C@H]1CCc2cccc(Cl)c2C1 ZINC001170931052 896817494 /nfs/dbraw/zinc/81/74/94/896817494.db2.gz MAQKMPPWNZYHQA-JXFKEZNVSA-N 1 2 386.927 3.611 20 30 GHEDLO N#Cc1cccc([C@@H]2C[C@H]2c2nc(-c3ccccc3C[NH+]3CCOCC3)no2)c1 ZINC000567098156 896872186 /nfs/dbraw/zinc/87/21/86/896872186.db2.gz NFABSQFSQBBRQX-LEWJYISDSA-N 1 2 386.455 3.712 20 30 GHEDLO C=CCC(F)(F)C(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000820042832 897133836 /nfs/dbraw/zinc/13/38/36/897133836.db2.gz NFYDQMARWRULIO-UHFFFAOYSA-N 1 2 398.251 3.886 20 30 GHEDLO C=CCOc1ccc(-c2nn(C[N@H+]3CCC[C@@H]3C[C@H](C)O)c(=S)o2)cc1 ZINC000155375444 898700861 /nfs/dbraw/zinc/70/08/61/898700861.db2.gz VLJDNTICBJOPIN-GOEBONIOSA-N 1 2 375.494 3.630 20 30 GHEDLO C=CCOc1ccc(-c2nn(C[N@@H+]3CCC[C@@H]3C[C@H](C)O)c(=S)o2)cc1 ZINC000155375444 898700869 /nfs/dbraw/zinc/70/08/69/898700869.db2.gz VLJDNTICBJOPIN-GOEBONIOSA-N 1 2 375.494 3.630 20 30 GHEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000289696449 914302307 /nfs/dbraw/zinc/30/23/07/914302307.db2.gz HDSBWWSLQXFVGP-UHFFFAOYSA-N 1 2 384.436 3.718 20 30 GHEDLO CC(=O)NCC[N@H+](Cc1ccc(C)s1)Cc1ccc(C#N)cc1OC(F)F ZINC000569990046 899057169 /nfs/dbraw/zinc/05/71/69/899057169.db2.gz VBXCPJDKRUVPOV-UHFFFAOYSA-N 1 2 393.459 3.668 20 30 GHEDLO CC(=O)NCC[N@@H+](Cc1ccc(C)s1)Cc1ccc(C#N)cc1OC(F)F ZINC000569990046 899057185 /nfs/dbraw/zinc/05/71/85/899057185.db2.gz VBXCPJDKRUVPOV-UHFFFAOYSA-N 1 2 393.459 3.668 20 30 GHEDLO C=CCOc1ccc(-c2nnc(SCC[NH+]3C[C@H](C)O[C@@H](C)C3)o2)cc1 ZINC000572424505 900181512 /nfs/dbraw/zinc/18/15/12/900181512.db2.gz JBBPTFWVQUSXCC-GJZGRUSLSA-N 1 2 375.494 3.503 20 30 GHEDLO C=CCn1c2ccccc2n(C[NH+]2CCC(C(=O)N3CCCC3)CC2)c1=S ZINC000045715326 900370457 /nfs/dbraw/zinc/37/04/57/900370457.db2.gz MDQOKIWDSQOEIK-UHFFFAOYSA-N 1 2 384.549 3.650 20 30 GHEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CC[C@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001143724556 900443954 /nfs/dbraw/zinc/44/39/54/900443954.db2.gz QEQLDEABQFTYNB-DUXKGJEZSA-N 1 2 383.879 3.808 20 30 GHEDLO N#Cc1cccc(Cl)c1C[N@H+]1CC[C@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001143724556 900443960 /nfs/dbraw/zinc/44/39/60/900443960.db2.gz QEQLDEABQFTYNB-DUXKGJEZSA-N 1 2 383.879 3.808 20 30 GHEDLO N#CC(CC[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1)(c1ccccc1)c1ccccc1 ZINC000575157835 901143224 /nfs/dbraw/zinc/14/32/24/901143224.db2.gz JILSCTCWMMAZET-SFHVURJKSA-N 1 2 387.487 3.590 20 30 GHEDLO N#CC(CC[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1)(c1ccccc1)c1ccccc1 ZINC000575157835 901143235 /nfs/dbraw/zinc/14/32/35/901143235.db2.gz JILSCTCWMMAZET-SFHVURJKSA-N 1 2 387.487 3.590 20 30 GHEDLO C=CCC1(O)CC[NH+](Cc2csc(CC(=O)Nc3ccc(C)cc3)n2)CC1 ZINC000886771731 901263373 /nfs/dbraw/zinc/26/33/73/901263373.db2.gz MPQRUHGQXXQFFW-UHFFFAOYSA-N 1 2 385.533 3.536 20 30 GHEDLO C[C@H]1CCN(C(=O)c2occc2COc2cccc(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000123134222 901901789 /nfs/dbraw/zinc/90/17/89/901901789.db2.gz NYPXODZQGUWGFU-OXJNMPFZSA-N 1 2 390.443 3.650 20 30 GHEDLO N#Cc1cnc2c(F)c(F)c(F)cc2c1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000576419887 902007089 /nfs/dbraw/zinc/00/70/89/902007089.db2.gz SBDHXHYZYWPOSZ-UHFFFAOYSA-N 1 2 383.377 3.553 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)c(C(F)(F)F)c1 ZINC000576992157 902415311 /nfs/dbraw/zinc/41/53/11/902415311.db2.gz VYSKEGXINYHUJU-UHFFFAOYSA-N 1 2 387.405 3.925 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccccc3)CC2)c(C(F)(F)F)c1 ZINC000576992157 902415314 /nfs/dbraw/zinc/41/53/14/902415314.db2.gz VYSKEGXINYHUJU-UHFFFAOYSA-N 1 2 387.405 3.925 20 30 GHEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@H](Oc4ccccc4Cl)C3)o2)cc1 ZINC000128567908 902685730 /nfs/dbraw/zinc/68/57/30/902685730.db2.gz OGTWJMKMHDMJCJ-INIZCTEOSA-N 1 2 380.835 3.915 20 30 GHEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@H](Oc4ccccc4Cl)C3)o2)cc1 ZINC000128567908 902685735 /nfs/dbraw/zinc/68/57/35/902685735.db2.gz OGTWJMKMHDMJCJ-INIZCTEOSA-N 1 2 380.835 3.915 20 30 GHEDLO Cc1ccc2[nH+]c(CSCC(=O)N3CCc4c(CC#N)cccc4C3)cn2c1 ZINC000600780597 902905633 /nfs/dbraw/zinc/90/56/33/902905633.db2.gz RXAMINYJANMKRP-UHFFFAOYSA-N 1 2 390.512 3.527 20 30 GHEDLO Cc1cc(C#N)cc(Sc2nnc([C@@H](C)[NH+](C)C)n2-c2ccc(F)cc2)n1 ZINC000601100474 903330984 /nfs/dbraw/zinc/33/09/84/903330984.db2.gz DNPLQDOSRBZKND-CYBMUJFWSA-N 1 2 382.468 3.755 20 30 GHEDLO COC(=O)c1cccc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c1C#N ZINC000577992135 903422352 /nfs/dbraw/zinc/42/23/52/903422352.db2.gz WKGPREKBZPYFSP-OAQYLSRUSA-N 1 2 376.456 3.699 20 30 GHEDLO COC(=O)c1cccc(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c1C#N ZINC000577992135 903422357 /nfs/dbraw/zinc/42/23/57/903422357.db2.gz WKGPREKBZPYFSP-OAQYLSRUSA-N 1 2 376.456 3.699 20 30 GHEDLO CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282805564 904329181 /nfs/dbraw/zinc/32/91/81/904329181.db2.gz SIEJRSYGNTXBMJ-QGZVFWFLSA-N 1 2 393.491 3.901 20 30 GHEDLO N#Cc1ncc(NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1Cl ZINC000579080048 904334601 /nfs/dbraw/zinc/33/46/01/904334601.db2.gz YMJFSWZNWHQITC-UHFFFAOYSA-N 1 2 384.871 3.551 20 30 GHEDLO COC(=O)[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171969305 905161001 /nfs/dbraw/zinc/16/10/01/905161001.db2.gz IRJGKQDNRAZJIW-KUHUBIRLSA-N 1 2 390.405 3.882 20 30 GHEDLO COC(=O)C1([NH2+][C@H](C)CCCC#N)CCN(Cc2ccc(Cl)cc2)CC1 ZINC001172479625 905556686 /nfs/dbraw/zinc/55/66/86/905556686.db2.gz NFBHBDOSTOLLJZ-MRXNPFEDSA-N 1 2 377.916 3.520 20 30 GHEDLO O=C(c1ccccc1)N1CC[C@H]2C[C@@H]([N@@H+]3CC[C@@H]4SC(=O)C=C4C3)CC[C@H]2C1 ZINC001172521833 905581422 /nfs/dbraw/zinc/58/14/22/905581422.db2.gz GVMKVKFAQDCGHO-QIJZPMMNSA-N 1 2 396.556 3.592 20 30 GHEDLO O=C(c1ccccc1)N1CC[C@H]2C[C@@H]([N@H+]3CC[C@@H]4SC(=O)C=C4C3)CC[C@H]2C1 ZINC001172521833 905581431 /nfs/dbraw/zinc/58/14/31/905581431.db2.gz GVMKVKFAQDCGHO-QIJZPMMNSA-N 1 2 396.556 3.592 20 30 GHEDLO C[C@H](CCCC#N)[N@@H+]1CCc2c(nnn2CC2CC2)[C@@H]1COCc1ccccc1 ZINC001172498266 905600080 /nfs/dbraw/zinc/60/00/80/905600080.db2.gz KGPQWFYEPWVJJM-GCJKJVERSA-N 1 2 393.535 3.886 20 30 GHEDLO C[C@H](CCCC#N)[N@H+]1CCc2c(nnn2CC2CC2)[C@@H]1COCc1ccccc1 ZINC001172498266 905600090 /nfs/dbraw/zinc/60/00/90/905600090.db2.gz KGPQWFYEPWVJJM-GCJKJVERSA-N 1 2 393.535 3.886 20 30 GHEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1[C@@H](C)CSc1ccc(Cl)cc1 ZINC001172874385 905950543 /nfs/dbraw/zinc/95/05/43/905950543.db2.gz AJOKLMRGGRRLDM-KSSFIOAISA-N 1 2 392.956 3.751 20 30 GHEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1[C@@H](C)CSc1ccc(Cl)cc1 ZINC001172874385 905950558 /nfs/dbraw/zinc/95/05/58/905950558.db2.gz AJOKLMRGGRRLDM-KSSFIOAISA-N 1 2 392.956 3.751 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CCC[C@@H](c3nnc(C)[nH]3)C2)cc1OC ZINC000628190322 906002744 /nfs/dbraw/zinc/00/27/44/906002744.db2.gz CBOXIEBPDGETSM-OAHLLOKOSA-N 1 2 376.888 3.720 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@H+]2CCC[C@@H](c3nnc(C)[nH]3)C2)cc1OC ZINC000628190322 906002769 /nfs/dbraw/zinc/00/27/69/906002769.db2.gz CBOXIEBPDGETSM-OAHLLOKOSA-N 1 2 376.888 3.720 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CCC[C@@H](c3nc(C)n[nH]3)C2)cc1OC ZINC000628190322 906002784 /nfs/dbraw/zinc/00/27/84/906002784.db2.gz CBOXIEBPDGETSM-OAHLLOKOSA-N 1 2 376.888 3.720 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@H+]2CCC[C@@H](c3nc(C)n[nH]3)C2)cc1OC ZINC000628190322 906002803 /nfs/dbraw/zinc/00/28/03/906002803.db2.gz CBOXIEBPDGETSM-OAHLLOKOSA-N 1 2 376.888 3.720 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CCC[C@@H](c3n[nH]c(C)n3)C2)cc1OC ZINC000628190322 906002824 /nfs/dbraw/zinc/00/28/24/906002824.db2.gz CBOXIEBPDGETSM-OAHLLOKOSA-N 1 2 376.888 3.720 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@H+]2CCC[C@@H](c3n[nH]c(C)n3)C2)cc1OC ZINC000628190322 906002844 /nfs/dbraw/zinc/00/28/44/906002844.db2.gz CBOXIEBPDGETSM-OAHLLOKOSA-N 1 2 376.888 3.720 20 30 GHEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@H](C)CCN(C)C(=O)OC(C)(C)C ZINC001172955121 906058997 /nfs/dbraw/zinc/05/89/97/906058997.db2.gz RSMIOUHGUWQDSV-MJGOQNOKSA-N 1 2 390.524 3.562 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178802696 906386347 /nfs/dbraw/zinc/38/63/47/906386347.db2.gz JRHRLKOEWMTPFE-QMTYFTJSSA-N 1 2 390.574 3.521 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178802696 906386355 /nfs/dbraw/zinc/38/63/55/906386355.db2.gz JRHRLKOEWMTPFE-QMTYFTJSSA-N 1 2 390.574 3.521 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178802712 906386558 /nfs/dbraw/zinc/38/65/58/906386558.db2.gz JRHRLKOEWMTPFE-DXPJPUQTSA-N 1 2 390.574 3.521 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178802712 906386574 /nfs/dbraw/zinc/38/65/74/906386574.db2.gz JRHRLKOEWMTPFE-DXPJPUQTSA-N 1 2 390.574 3.521 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2cccc(F)c2Br)C1=O ZINC001276007954 921272521 /nfs/dbraw/zinc/27/25/21/921272521.db2.gz HUFBUDQTKDWFMM-SFHVURJKSA-N 1 2 381.289 3.731 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2cccc(F)c2Br)C1=O ZINC001276007954 921272524 /nfs/dbraw/zinc/27/25/24/921272524.db2.gz HUFBUDQTKDWFMM-SFHVURJKSA-N 1 2 381.289 3.731 20 30 GHEDLO C[C@@H]1CN(Cc2ccccc2)C[C@]2(CC[N@H+](Cc3cccc(C#N)c3F)C2)O1 ZINC001175686501 907693791 /nfs/dbraw/zinc/69/37/91/907693791.db2.gz FSDSQVNNNZJILZ-WZONZLPQSA-N 1 2 379.479 3.563 20 30 GHEDLO C[C@@H]1CN(Cc2ccccc2)C[C@]2(CC[N@@H+](Cc3cccc(C#N)c3F)C2)O1 ZINC001175686501 907693797 /nfs/dbraw/zinc/69/37/97/907693797.db2.gz FSDSQVNNNZJILZ-WZONZLPQSA-N 1 2 379.479 3.563 20 30 GHEDLO CC[C@@H]([NH2+]CC(=O)Nc1oc(C)c(C)c1C#N)c1nc(C(F)(F)F)cs1 ZINC000185947675 907856692 /nfs/dbraw/zinc/85/66/92/907856692.db2.gz ZKCAFDXEMPCATG-LLVKDONJSA-N 1 2 386.399 3.923 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000633486260 908339381 /nfs/dbraw/zinc/33/93/81/908339381.db2.gz QIPLCSFCOCGRRI-UHFFFAOYSA-N 1 2 388.562 3.594 20 30 GHEDLO C[C@H](C(=O)N1CC[C@@H](C(C#N)(c2ccccc2)c2ccccc2)C1)n1cc[nH+]c1 ZINC001177926057 908806632 /nfs/dbraw/zinc/80/66/32/908806632.db2.gz WXNLNGBNBROKBX-DENIHFKCSA-N 1 2 384.483 3.802 20 30 GHEDLO C=CC[N@@H+](Cc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1)Cc1ccccc1 ZINC000266558470 909215577 /nfs/dbraw/zinc/21/55/77/909215577.db2.gz WNAMJHWIUAAKLJ-UHFFFAOYSA-N 1 2 395.459 3.951 20 30 GHEDLO C=CC[N@H+](Cc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1)Cc1ccccc1 ZINC000266558470 909215592 /nfs/dbraw/zinc/21/55/92/909215592.db2.gz WNAMJHWIUAAKLJ-UHFFFAOYSA-N 1 2 395.459 3.951 20 30 GHEDLO CC#CCCCCCCCC(=O)N1CC[NH+](Cc2ccc(C(=O)OC)cc2)CC1 ZINC001182768593 912038091 /nfs/dbraw/zinc/03/80/91/912038091.db2.gz GEOHHQRCTIIUSY-UHFFFAOYSA-N 1 2 398.547 3.871 20 30 GHEDLO Cc1cc(Br)cc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 ZINC000775063585 914878373 /nfs/dbraw/zinc/87/83/73/914878373.db2.gz UHLFMTLNQUHWMR-ZBFHGGJFSA-N 1 2 394.313 3.606 20 30 GHEDLO C[C@H](c1nc2ccccc2n1C(F)F)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292074477 915504000 /nfs/dbraw/zinc/50/40/00/915504000.db2.gz CZWIFUMBLRLKNB-HIFRSBDPSA-N 1 2 383.402 3.912 20 30 GHEDLO C[C@H](c1nc2ccccc2n1C(F)F)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292074477 915504010 /nfs/dbraw/zinc/50/40/10/915504010.db2.gz CZWIFUMBLRLKNB-HIFRSBDPSA-N 1 2 383.402 3.912 20 30 GHEDLO C=C(C)CNC(=O)[C@@H]1CC12CC[NH+](Cc1[nH]c(CCCC)nc1Cl)CC2 ZINC001275715544 916303953 /nfs/dbraw/zinc/30/39/53/916303953.db2.gz VFNBICQELCPQAY-HNNXBMFYSA-N 1 2 378.948 3.700 20 30 GHEDLO Cc1c[nH+]c2n1CCC21CCN(C(=O)c2ccc(C#C[Si](C)(C)C)cc2)CC1 ZINC001189162601 916439927 /nfs/dbraw/zinc/43/99/27/916439927.db2.gz QVZWWZJTSKZVPO-UHFFFAOYSA-N 1 2 391.591 3.998 20 30 GHEDLO N#Cc1ccc2ncc(C[NH+]3CCC(C(=O)c4cc(F)ccc4F)CC3)n2c1 ZINC000362355874 917229570 /nfs/dbraw/zinc/22/95/70/917229570.db2.gz ZSRAWNCCEQMICW-UHFFFAOYSA-N 1 2 380.398 3.579 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@H](O)c2ccc(Cl)c(Cl)c2)c1 ZINC001190398773 917300430 /nfs/dbraw/zinc/30/04/30/917300430.db2.gz AHIBYDNEZYFXFG-SFHVURJKSA-N 1 2 377.271 3.579 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@H](O)c2ccc(Cl)c(Cl)c2)c1 ZINC001190398773 917300444 /nfs/dbraw/zinc/30/04/44/917300444.db2.gz AHIBYDNEZYFXFG-SFHVURJKSA-N 1 2 377.271 3.579 20 30 GHEDLO N#Cc1cc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)ccc1OCC(F)(F)F ZINC000117610147 919548525 /nfs/dbraw/zinc/54/85/25/919548525.db2.gz YYIQENRFQWFZGR-UHFFFAOYSA-N 1 2 386.333 3.937 20 30 GHEDLO C=CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2noc(C)n2)CC1)c1ccccc1 ZINC000364714488 919896493 /nfs/dbraw/zinc/89/64/93/919896493.db2.gz IDVNPSPQHLHLMP-UXHICEINSA-N 1 2 382.508 3.551 20 30 GHEDLO C=CC[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2noc(C)n2)CC1)c1ccccc1 ZINC000364714488 919896499 /nfs/dbraw/zinc/89/64/99/919896499.db2.gz IDVNPSPQHLHLMP-UXHICEINSA-N 1 2 382.508 3.551 20 30 GHEDLO CCOc1cc(C[N@H+](C)CC(=O)Nc2sccc2C#N)ccc1OC(F)F ZINC000298270674 920358514 /nfs/dbraw/zinc/35/85/14/920358514.db2.gz GVSIPEJKACUIQV-UHFFFAOYSA-N 1 2 395.431 3.690 20 30 GHEDLO CCOc1cc(C[N@@H+](C)CC(=O)Nc2sccc2C#N)ccc1OC(F)F ZINC000298270674 920358533 /nfs/dbraw/zinc/35/85/33/920358533.db2.gz GVSIPEJKACUIQV-UHFFFAOYSA-N 1 2 395.431 3.690 20 30 GHEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC#Cc1ccc(C(F)(F)F)cc1)C2 ZINC000369645636 923510251 /nfs/dbraw/zinc/51/02/51/923510251.db2.gz DLLHWENGPSMMCV-HNNXBMFYSA-N 1 2 389.421 3.825 20 30 GHEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC#Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000369645636 923510252 /nfs/dbraw/zinc/51/02/52/923510252.db2.gz DLLHWENGPSMMCV-HNNXBMFYSA-N 1 2 389.421 3.825 20 30 GHEDLO O=C(Nc1cccc(C#Cc2cccs2)c1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000677073474 924229154 /nfs/dbraw/zinc/22/91/54/924229154.db2.gz OGANKOVEJMOZOG-IBGZPJMESA-N 1 2 388.496 3.943 20 30 GHEDLO N#Cc1cc(S(=O)(=O)Nc2cccc(-n3cc[nH+]c3)c2)ccc1C(F)(F)F ZINC000410334108 925542230 /nfs/dbraw/zinc/54/22/30/925542230.db2.gz TWKZILLWPAVZNH-UHFFFAOYSA-N 1 2 392.362 3.564 20 30 GHEDLO C=CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000411187056 926170224 /nfs/dbraw/zinc/17/02/24/926170224.db2.gz ASAFRFWRTICPSK-MRXNPFEDSA-N 1 2 379.460 3.591 20 30 GHEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000411187056 926170231 /nfs/dbraw/zinc/17/02/31/926170231.db2.gz ASAFRFWRTICPSK-MRXNPFEDSA-N 1 2 379.460 3.591 20 30 GHEDLO C=CC[N@H+](Cc1cccc(C#N)c1)[C@@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000411187054 926180198 /nfs/dbraw/zinc/18/01/98/926180198.db2.gz ASAFRFWRTICPSK-INIZCTEOSA-N 1 2 379.460 3.591 20 30 GHEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000411187054 926180201 /nfs/dbraw/zinc/18/02/01/926180201.db2.gz ASAFRFWRTICPSK-INIZCTEOSA-N 1 2 379.460 3.591 20 30 GHEDLO C#CC[N@@H+](CC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC)Cc1ccccc1 ZINC000796633056 926364462 /nfs/dbraw/zinc/36/44/62/926364462.db2.gz QKQFCKXRDRMFAW-JOCHJYFZSA-N 1 2 392.499 3.503 20 30 GHEDLO C#CC[N@H+](CC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC)Cc1ccccc1 ZINC000796633056 926364468 /nfs/dbraw/zinc/36/44/68/926364468.db2.gz QKQFCKXRDRMFAW-JOCHJYFZSA-N 1 2 392.499 3.503 20 30 GHEDLO C=C(Br)C[NH2+]Cc1c(Br)cncc1Br ZINC000389283477 926385963 /nfs/dbraw/zinc/38/59/63/926385963.db2.gz TVTULXVRVPCJTQ-UHFFFAOYSA-N 1 2 384.897 3.605 20 30 GHEDLO C[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000374341139 927035584 /nfs/dbraw/zinc/03/55/84/927035584.db2.gz NEPLYPGJYZSTJJ-INIZCTEOSA-N 1 2 384.439 3.879 20 30 GHEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000374354478 927047166 /nfs/dbraw/zinc/04/71/66/927047166.db2.gz ULYVFVCWDHZXOY-ZDUSSCGKSA-N 1 2 379.382 3.633 20 30 GHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000412079352 927080203 /nfs/dbraw/zinc/08/02/03/927080203.db2.gz UYLMAQIDWSTYHP-JXFKEZNVSA-N 1 2 386.492 3.606 20 30 GHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000412079352 927080209 /nfs/dbraw/zinc/08/02/09/927080209.db2.gz UYLMAQIDWSTYHP-JXFKEZNVSA-N 1 2 386.492 3.606 20 30 GHEDLO C=CCn1c(-c2ccccc2C)nn(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1=S ZINC000749799543 927280366 /nfs/dbraw/zinc/28/03/66/927280366.db2.gz XMSSLVQLDRLPJG-ZWKOTPCHSA-N 1 2 384.549 3.891 20 30 GHEDLO C=CCn1c(-c2ccccc2C)nn(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1=S ZINC000749799543 927280388 /nfs/dbraw/zinc/28/03/88/927280388.db2.gz XMSSLVQLDRLPJG-ZWKOTPCHSA-N 1 2 384.549 3.891 20 30 GHEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)nc1-c1cccs1 ZINC000749802438 927281367 /nfs/dbraw/zinc/28/13/67/927281367.db2.gz XJSUJHREYMUCPN-LSDHHAIUSA-N 1 2 376.551 3.644 20 30 GHEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)nc1-c1cccs1 ZINC000749802438 927281379 /nfs/dbraw/zinc/28/13/79/927281379.db2.gz XJSUJHREYMUCPN-LSDHHAIUSA-N 1 2 376.551 3.644 20 30 GHEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000467197241 928812286 /nfs/dbraw/zinc/81/22/86/928812286.db2.gz TYQTYBSHBBJLID-AUSIDOKSSA-N 1 2 395.551 3.672 20 30 GHEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000467197241 928812292 /nfs/dbraw/zinc/81/22/92/928812292.db2.gz TYQTYBSHBBJLID-AUSIDOKSSA-N 1 2 395.551 3.672 20 30 GHEDLO O=C(Nc1cccc(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)c1)c1ccccc1Cl ZINC000753935794 929600754 /nfs/dbraw/zinc/60/07/54/929600754.db2.gz PUJDEXIZBFWEAQ-RTBURBONSA-N 1 2 395.894 3.786 20 30 GHEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000469538490 929975094 /nfs/dbraw/zinc/97/50/94/929975094.db2.gz VHVNHCZKVBZRGR-GOSISDBHSA-N 1 2 392.425 3.888 20 30 GHEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000469538490 929975098 /nfs/dbraw/zinc/97/50/98/929975098.db2.gz VHVNHCZKVBZRGR-GOSISDBHSA-N 1 2 392.425 3.888 20 30 GHEDLO C=CCC(CC=C)C(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000758409843 930036764 /nfs/dbraw/zinc/03/67/64/930036764.db2.gz DBDSAVJFAGRNFQ-UHFFFAOYSA-N 1 2 382.426 3.998 20 30 GHEDLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CC(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000759423103 930364233 /nfs/dbraw/zinc/36/42/33/930364233.db2.gz UCQASARMZWOHPN-CCULFSDZSA-N 1 2 378.520 3.746 20 30 GHEDLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1CC(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000759423103 930364241 /nfs/dbraw/zinc/36/42/41/930364241.db2.gz UCQASARMZWOHPN-CCULFSDZSA-N 1 2 378.520 3.746 20 30 GHEDLO C=CCN1C(=O)/C(=C/c2c[nH+]c3c(C)cc(Br)cn23)SC1=S ZINC000783697356 931621047 /nfs/dbraw/zinc/62/10/47/931621047.db2.gz RLNOFVGEQJABDF-SDQBBNPISA-N 1 2 394.319 3.792 20 30 GHEDLO N#Cc1cccc(-c2nnc(C[N@@H+](Cc3cccs3)[C@@H]3C=C[C@H](CO)C3)o2)c1 ZINC000558133747 931853065 /nfs/dbraw/zinc/85/30/65/931853065.db2.gz JXBUEBFAOUXRIT-FUHWJXTLSA-N 1 2 392.484 3.609 20 30 GHEDLO N#Cc1cccc(-c2nnc(C[N@H+](Cc3cccs3)[C@@H]3C=C[C@H](CO)C3)o2)c1 ZINC000558133747 931853074 /nfs/dbraw/zinc/85/30/74/931853074.db2.gz JXBUEBFAOUXRIT-FUHWJXTLSA-N 1 2 392.484 3.609 20 30 GHEDLO CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc(C[N@H+](CC)C3CC3)cc2)n1 ZINC000558859284 932278195 /nfs/dbraw/zinc/27/81/95/932278195.db2.gz YAHMKLRMLXKYHK-QGZVFWFLSA-N 1 2 397.500 3.794 20 30 GHEDLO CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc(C[N@@H+](CC)C3CC3)cc2)n1 ZINC000558859284 932278200 /nfs/dbraw/zinc/27/82/00/932278200.db2.gz YAHMKLRMLXKYHK-QGZVFWFLSA-N 1 2 397.500 3.794 20 30 GHEDLO C#CCOc1ccc([C@@H](C)[NH2+]C2(c3ncc(Br)cn3)CCC2)cc1 ZINC000927146325 932430799 /nfs/dbraw/zinc/43/07/99/932430799.db2.gz VHKABFJBJUWTFE-CQSZACIVSA-N 1 2 386.293 3.981 20 30 GHEDLO N#Cc1c(NC(=O)CC[N@H+]2CCC=C(Br)C2)sc2c1CCCC2 ZINC000799328281 932952435 /nfs/dbraw/zinc/95/24/35/932952435.db2.gz OKIBLGIPHIAYMP-UHFFFAOYSA-N 1 2 394.338 3.812 20 30 GHEDLO N#Cc1c(NC(=O)CC[N@@H+]2CCC=C(Br)C2)sc2c1CCCC2 ZINC000799328281 932952437 /nfs/dbraw/zinc/95/24/37/932952437.db2.gz OKIBLGIPHIAYMP-UHFFFAOYSA-N 1 2 394.338 3.812 20 30 GHEDLO N#Cc1cccnc1N1CC[NH+](Cc2cnc(CCc3ccccc3)s2)CC1 ZINC000560102046 933065778 /nfs/dbraw/zinc/06/57/78/933065778.db2.gz RXSFLIOSBQTAAT-UHFFFAOYSA-N 1 2 389.528 3.517 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](CC(=O)N3CCSc4ccccc43)CC2)cc1 ZINC000560450145 933264798 /nfs/dbraw/zinc/26/47/98/933264798.db2.gz ASVVNYSCOPVBKK-UHFFFAOYSA-N 1 2 393.512 3.540 20 30 GHEDLO Cc1ccc(S(=O)(=O)CCC[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000561080088 933843535 /nfs/dbraw/zinc/84/35/35/933843535.db2.gz WVRJNYQAXRVRNL-UHFFFAOYSA-N 1 2 380.513 3.820 20 30 GHEDLO Cc1ccc(S(=O)(=O)CCC[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000561080088 933843540 /nfs/dbraw/zinc/84/35/40/933843540.db2.gz WVRJNYQAXRVRNL-UHFFFAOYSA-N 1 2 380.513 3.820 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1C[C@H](c2ccccc2)C[C@@H]1C ZINC001121800581 934767934 /nfs/dbraw/zinc/76/79/34/934767934.db2.gz ISYNDSOQRQKHIJ-GHTZIAJQSA-N 1 2 392.551 3.773 20 30 GHEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCc2sccc2[C@@H]1CC ZINC001122400340 934861951 /nfs/dbraw/zinc/86/19/51/934861951.db2.gz OIJWJBRFKCRFLJ-INIZCTEOSA-N 1 2 382.537 3.754 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC(OC)CC1 ZINC001122528938 934890856 /nfs/dbraw/zinc/89/08/56/934890856.db2.gz VBSJVJVBKYANTB-SFHVURJKSA-N 1 2 383.540 3.662 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC(OC)CC1 ZINC001122528938 934890862 /nfs/dbraw/zinc/89/08/62/934890862.db2.gz VBSJVJVBKYANTB-SFHVURJKSA-N 1 2 383.540 3.662 20 30 GHEDLO CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(C[NH+]3CCCCC3)o2)cc1 ZINC001122542628 934894909 /nfs/dbraw/zinc/89/49/09/934894909.db2.gz RALRVNXXOBJLGB-LJQANCHMSA-N 1 2 379.460 3.789 20 30 GHEDLO CC(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@H]1C1CCC1 ZINC001122831513 935002664 /nfs/dbraw/zinc/00/26/64/935002664.db2.gz LSXUMZUYDPWOKZ-FQEVSTJZSA-N 1 2 384.572 3.796 20 30 GHEDLO N#Cc1ccc(C2=CCN(C(=O)c3ccc(NCCn4cc[nH+]c4)cc3)CC2)cc1 ZINC001137977941 935903194 /nfs/dbraw/zinc/90/31/94/935903194.db2.gz QNZUORVZUFHDPW-UHFFFAOYSA-N 1 2 397.482 3.796 20 30 GHEDLO N#Cc1cccc(N2CC[NH+](Cc3cccc(C(=O)Nc4ccccc4)c3)CC2)n1 ZINC000544881921 1015150177 /nfs/dbraw/zinc/15/01/77/1015150177.db2.gz NYFWNEIJMYYVTB-UHFFFAOYSA-N 1 2 397.482 3.528 20 30 GHEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1Cc2cc(OC)ccc2C[C@@H]1c1ccccc1 ZINC000469036162 1016359389 /nfs/dbraw/zinc/35/93/89/1016359389.db2.gz RDOVTQGJVBRFDU-FDDCHVKYSA-N 1 2 391.515 3.803 20 30 GHEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1Cc2cc(OC)ccc2C[C@@H]1c1ccccc1 ZINC000469036162 1016359376 /nfs/dbraw/zinc/35/93/76/1016359376.db2.gz RDOVTQGJVBRFDU-FDDCHVKYSA-N 1 2 391.515 3.803 20 30 GHEDLO CC(C)Cc1ccc(C(=O)C2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)cc1 ZINC000469122125 1016519446 /nfs/dbraw/zinc/51/94/46/1016519446.db2.gz XYKZIXUOTCVHGC-SFHVURJKSA-N 1 2 395.547 3.731 20 30 GHEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2cc(Br)c(C)cc2OC)C1=O ZINC001277189509 1032323691 /nfs/dbraw/zinc/32/36/91/1032323691.db2.gz PXGDHIHBKPOXGO-IBGZPJMESA-N 1 2 393.325 3.519 20 30 GHEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(Br)c(C)cc2OC)C1=O ZINC001277189509 1032323701 /nfs/dbraw/zinc/32/37/01/1032323701.db2.gz PXGDHIHBKPOXGO-IBGZPJMESA-N 1 2 393.325 3.519 20 30 GHEDLO C=CCN(C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)[C@H](C)COC ZINC001227422410 1032414867 /nfs/dbraw/zinc/41/48/67/1032414867.db2.gz LRSOTWNINWIIQM-CRAIPNDOSA-N 1 2 397.922 3.676 20 30 GHEDLO C=CCN(C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)[C@H](C)COC ZINC001227422410 1032414871 /nfs/dbraw/zinc/41/48/71/1032414871.db2.gz LRSOTWNINWIIQM-CRAIPNDOSA-N 1 2 397.922 3.676 20 30 GHEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1c(Cl)cc(Cl)cc1Cl)CC2 ZINC001276445191 1032611083 /nfs/dbraw/zinc/61/10/83/1032611083.db2.gz FBIWYUQNFWHQSR-CQSZACIVSA-N 1 2 385.722 3.998 20 30 GHEDLO COc1cc2cc[nH+]c(N3CCCN(c4ccccc4C#N)CC3)c2cc1F ZINC000562889687 1018758405 /nfs/dbraw/zinc/75/84/05/1018758405.db2.gz LINPIUMFVDHKFN-UHFFFAOYSA-N 1 2 376.435 3.971 20 30 GHEDLO Fc1cnccc1C[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944884 1018775400 /nfs/dbraw/zinc/77/54/00/1018775400.db2.gz OBMVRULKNQERTR-RKDXNWHRSA-N 1 2 378.238 3.824 20 30 GHEDLO N#Cc1ccccc1C[NH+]1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001204374626 1032815239 /nfs/dbraw/zinc/81/52/39/1032815239.db2.gz BZUMVSLLXCUZQI-UHFFFAOYSA-N 1 2 384.483 3.854 20 30 GHEDLO C=C[C@](C)(O)CC(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000574328350 1019865821 /nfs/dbraw/zinc/86/58/21/1019865821.db2.gz ZTJNBDMMKVUHQP-GOTSBHOMSA-N 1 2 398.934 3.901 20 30 GHEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000577438668 1020185007 /nfs/dbraw/zinc/18/50/07/1020185007.db2.gz MQWXBCSYRDWSHS-UHFFFAOYSA-N 1 2 384.386 3.535 20 30 GHEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000577438668 1020185015 /nfs/dbraw/zinc/18/50/15/1020185015.db2.gz MQWXBCSYRDWSHS-UHFFFAOYSA-N 1 2 384.386 3.535 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@@H+]2C[C@H](C)OC3(CCOCC3)C2)cc1OC ZINC000628255049 1020683111 /nfs/dbraw/zinc/68/31/11/1020683111.db2.gz ZLYJFODVDUJDHA-HNNXBMFYSA-N 1 2 381.900 3.683 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@H+]2C[C@H](C)OC3(CCOCC3)C2)cc1OC ZINC000628255049 1020683115 /nfs/dbraw/zinc/68/31/15/1020683115.db2.gz ZLYJFODVDUJDHA-HNNXBMFYSA-N 1 2 381.900 3.683 20 30 GHEDLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000635633616 1020987111 /nfs/dbraw/zinc/98/71/11/1020987111.db2.gz YMVBRHJTJRZRGB-YIZRAAEISA-N 1 2 397.241 3.576 20 30 GHEDLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000635633612 1020987321 /nfs/dbraw/zinc/98/73/21/1020987321.db2.gz YMVBRHJTJRZRGB-HLTSFMKQSA-N 1 2 397.241 3.576 20 30 GHEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(Br)cc1F)C2 ZINC001204554458 1032968122 /nfs/dbraw/zinc/96/81/22/1032968122.db2.gz PIZOBYXJIWROFG-FUHWJXTLSA-N 1 2 384.289 3.914 20 30 GHEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(Br)cc1F)C2 ZINC001204554458 1032968131 /nfs/dbraw/zinc/96/81/31/1032968131.db2.gz PIZOBYXJIWROFG-FUHWJXTLSA-N 1 2 384.289 3.914 20 30 GHEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1Cc1ccccc1-c1cccnc1 ZINC001140314504 1021380829 /nfs/dbraw/zinc/38/08/29/1021380829.db2.gz AJGKMGRBKLSDSX-QFIPXVFZSA-N 1 2 389.503 3.662 20 30 GHEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1Cc1ccccc1-c1cccnc1 ZINC001140314504 1021380839 /nfs/dbraw/zinc/38/08/39/1021380839.db2.gz AJGKMGRBKLSDSX-QFIPXVFZSA-N 1 2 389.503 3.662 20 30 GHEDLO N#Cc1ccc(Cl)c(C[NH+]2CCN(c3ccc(-c4ncccn4)cc3)CC2)c1 ZINC001140603414 1022050236 /nfs/dbraw/zinc/05/02/36/1022050236.db2.gz NGIDDXBDCTWVDB-UHFFFAOYSA-N 1 2 389.890 3.991 20 30 GHEDLO COCCOc1ccc(N2CC[NH+](Cc3cc(C#N)ccc3Cl)CC2)cc1 ZINC001140604008 1022054597 /nfs/dbraw/zinc/05/45/97/1022054597.db2.gz MWSSQBPWIIEOAS-UHFFFAOYSA-N 1 2 385.895 3.559 20 30 GHEDLO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000681553363 1022307604 /nfs/dbraw/zinc/30/76/04/1022307604.db2.gz AOYHAMZDKNYXIM-CYBMUJFWSA-N 1 2 392.272 3.562 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)/C=C\c2ccccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000754903701 1022958894 /nfs/dbraw/zinc/95/88/94/1022958894.db2.gz UYITVFLOIZSBJD-HDKDFSDTSA-N 1 2 383.854 3.926 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)/C=C\c2ccccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000754903701 1022958901 /nfs/dbraw/zinc/95/89/01/1022958901.db2.gz UYITVFLOIZSBJD-HDKDFSDTSA-N 1 2 383.854 3.926 20 30 GHEDLO Cc1[nH+]cc(CN=Nc2ncnc3c2cnn3-c2ccccc2)n1-c1ccccc1 ZINC000755651316 1023325173 /nfs/dbraw/zinc/32/51/73/1023325173.db2.gz IYKOTGNXUREUOK-UHFFFAOYSA-N 1 2 394.442 3.756 20 30 GHEDLO Cc1[nH+]cc(CN=Nc2nc(-c3ccccn3)nc3c2CCC3)n1-c1ccccc1 ZINC000755751693 1023364513 /nfs/dbraw/zinc/36/45/13/1023364513.db2.gz XMOBHRYEBXWEGL-UHFFFAOYSA-N 1 2 395.470 3.967 20 30 GHEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1Cc1ccccc1-c1cccs1 ZINC001141093463 1023473703 /nfs/dbraw/zinc/47/37/03/1023473703.db2.gz BDIZMYQRAPVMMM-IBGZPJMESA-N 1 2 380.517 3.846 20 30 GHEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1Cc1ccccc1-c1cccs1 ZINC001141093463 1023473709 /nfs/dbraw/zinc/47/37/09/1023473709.db2.gz BDIZMYQRAPVMMM-IBGZPJMESA-N 1 2 380.517 3.846 20 30 GHEDLO C#C[C@H](NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000831306868 1024483726 /nfs/dbraw/zinc/48/37/26/1024483726.db2.gz LYBGSULQBMBDKV-UEXGIBASSA-N 1 2 377.488 3.792 20 30 GHEDLO C#C[C@H](NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000831306868 1024483736 /nfs/dbraw/zinc/48/37/36/1024483736.db2.gz LYBGSULQBMBDKV-UEXGIBASSA-N 1 2 377.488 3.792 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1Cc1c[nH]c2c1cccc2CC ZINC001138359974 1024723769 /nfs/dbraw/zinc/72/37/69/1024723769.db2.gz CBZQDMHDHRLJSS-HXUWFJFHSA-N 1 2 379.508 3.644 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1Cc1c[nH]c2c1cccc2CC ZINC001138359974 1024723774 /nfs/dbraw/zinc/72/37/74/1024723774.db2.gz CBZQDMHDHRLJSS-HXUWFJFHSA-N 1 2 379.508 3.644 20 30 GHEDLO C=C(C)COc1ccccc1C[N@H+]1Cc2nccn2C[C@@H](COCC2CC2)C1 ZINC001138660843 1025179251 /nfs/dbraw/zinc/17/92/51/1025179251.db2.gz FAKGRQGCEGNTGQ-FQEVSTJZSA-N 1 2 381.520 3.897 20 30 GHEDLO C=C(C)COc1ccccc1C[N@@H+]1Cc2nccn2C[C@@H](COCC2CC2)C1 ZINC001138660843 1025179267 /nfs/dbraw/zinc/17/92/67/1025179267.db2.gz FAKGRQGCEGNTGQ-FQEVSTJZSA-N 1 2 381.520 3.897 20 30 GHEDLO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000838898298 1025426539 /nfs/dbraw/zinc/42/65/39/1025426539.db2.gz YIJMEMZBHCDNNS-ZBFHGGJFSA-N 1 2 388.468 3.592 20 30 GHEDLO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000838898298 1025426544 /nfs/dbraw/zinc/42/65/44/1025426544.db2.gz YIJMEMZBHCDNNS-ZBFHGGJFSA-N 1 2 388.468 3.592 20 30 GHEDLO N#Cc1ccc2ncnc(O[C@@H]3CCC[N@@H+](Cc4cnc(Cl)s4)C3)c2c1 ZINC001229106323 1033282638 /nfs/dbraw/zinc/28/26/38/1033282638.db2.gz FFAZXDSPSUSDJF-CYBMUJFWSA-N 1 2 385.880 3.655 20 30 GHEDLO N#Cc1ccc2ncnc(O[C@@H]3CCC[N@H+](Cc4cnc(Cl)s4)C3)c2c1 ZINC001229106323 1033282653 /nfs/dbraw/zinc/28/26/53/1033282653.db2.gz FFAZXDSPSUSDJF-CYBMUJFWSA-N 1 2 385.880 3.655 20 30 GHEDLO C[NH+](C)[C@H](CNc1cc(C#N)c(Br)cn1)c1c(F)cccc1F ZINC001162543747 1025786507 /nfs/dbraw/zinc/78/65/07/1025786507.db2.gz DGDMSOIDOIRKFF-CQSZACIVSA-N 1 2 381.224 3.709 20 30 GHEDLO C=CCOc1ccccc1C[N@@H+]1CCC(F)(F)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001139030814 1025798287 /nfs/dbraw/zinc/79/82/87/1025798287.db2.gz MZBFRTXRBKXUDJ-KRWDZBQOSA-N 1 2 382.451 3.986 20 30 GHEDLO C=CCOc1ccccc1C[N@H+]1CCC(F)(F)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001139030814 1025798300 /nfs/dbraw/zinc/79/83/00/1025798300.db2.gz MZBFRTXRBKXUDJ-KRWDZBQOSA-N 1 2 382.451 3.986 20 30 GHEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[NH+]1CCC(c2ccncn2)CC1 ZINC000839620077 1026124621 /nfs/dbraw/zinc/12/46/21/1026124621.db2.gz FKZRYCBJJFTXPP-HMAPJEAMSA-N 1 2 376.504 3.537 20 30 GHEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1CC[C@H](c2cccc(Br)c2)C1=O ZINC000839960068 1026375068 /nfs/dbraw/zinc/37/50/68/1026375068.db2.gz NOIHJMPJQMQDIN-LJQANCHMSA-N 1 2 398.304 3.726 20 30 GHEDLO C[N@H+](Cc1cccc(C#N)c1)CN1CC[C@H](c2cccc(Br)c2)C1=O ZINC000839960068 1026375080 /nfs/dbraw/zinc/37/50/80/1026375080.db2.gz NOIHJMPJQMQDIN-LJQANCHMSA-N 1 2 398.304 3.726 20 30 GHEDLO N#Cc1ccc(F)c(CN2CC[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)c1 ZINC001139650790 1026512121 /nfs/dbraw/zinc/51/21/21/1026512121.db2.gz WNWSZWKGVHQCAU-IBGZPJMESA-N 1 2 377.385 3.946 20 30 GHEDLO N#Cc1ccc(F)c(CN2CC[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)c1 ZINC001139650790 1026512123 /nfs/dbraw/zinc/51/21/23/1026512123.db2.gz WNWSZWKGVHQCAU-IBGZPJMESA-N 1 2 377.385 3.946 20 30 GHEDLO Cc1cc(N2CC[NH+](Cc3cc(C#N)ccc3F)CC2)n(-c2ccccc2)n1 ZINC001139649898 1026512498 /nfs/dbraw/zinc/51/24/98/1026512498.db2.gz IFFSQVZPGYCEFE-UHFFFAOYSA-N 1 2 375.451 3.514 20 30 GHEDLO N#Cc1c(Cl)cccc1C[N@@H+]1CC[C@H]2O[C@H](COCc3cccnc3)CC[C@H]21 ZINC001139688202 1026540127 /nfs/dbraw/zinc/54/01/27/1026540127.db2.gz BDQSNZBTRPVFIK-VLCRHTCISA-N 1 2 397.906 3.945 20 30 GHEDLO N#Cc1c(Cl)cccc1C[N@H+]1CC[C@H]2O[C@H](COCc3cccnc3)CC[C@H]21 ZINC001139688202 1026540130 /nfs/dbraw/zinc/54/01/30/1026540130.db2.gz BDQSNZBTRPVFIK-VLCRHTCISA-N 1 2 397.906 3.945 20 30 GHEDLO N#Cc1c[nH]c2cc[nH+]c(N3C[C@@H]4C[C@H](c5nc(C6CC6)cs5)O[C@@H]4C3)c12 ZINC001165467338 1026733302 /nfs/dbraw/zinc/73/33/02/1026733302.db2.gz JZVORBBVTLNCAO-JCURWCKSSA-N 1 2 377.473 3.735 20 30 GHEDLO Cc1cc(N2CC[NH+](Cc3ccc(C#N)cc3F)CC2)n(-c2ccccc2)n1 ZINC001140140079 1026913752 /nfs/dbraw/zinc/91/37/52/1026913752.db2.gz LICVURIVJCXWRP-UHFFFAOYSA-N 1 2 375.451 3.514 20 30 GHEDLO N#CCc1cc[nH+]c(N2CCC(c3nc4ccc(-c5cccnc5)cn4n3)CC2)c1 ZINC001166294796 1026964815 /nfs/dbraw/zinc/96/48/15/1026964815.db2.gz HUVBMAOLRMHGOF-UHFFFAOYSA-N 1 2 395.470 3.636 20 30 GHEDLO N#CCc1cc[nH+]c(N2CCC3(CC2)CC(=O)N(CC2CC2)c2ccccc23)c1 ZINC001166356484 1026980809 /nfs/dbraw/zinc/98/08/09/1026980809.db2.gz GKPWEHVNWFDCAE-UHFFFAOYSA-N 1 2 386.499 3.833 20 30 GHEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(Br)c(F)c1)C2 ZINC001140212399 1026987285 /nfs/dbraw/zinc/98/72/85/1026987285.db2.gz IUHDYOHGSBGVSI-CRAIPNDOSA-N 1 2 384.289 3.914 20 30 GHEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(Br)c(F)c1)C2 ZINC001140212399 1026987290 /nfs/dbraw/zinc/98/72/90/1026987290.db2.gz IUHDYOHGSBGVSI-CRAIPNDOSA-N 1 2 384.289 3.914 20 30 GHEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3ccc(Br)c(F)c3)CC2)nc1 ZINC001140213048 1026988868 /nfs/dbraw/zinc/98/88/68/1026988868.db2.gz ODPKFKVOHYDEHG-UHFFFAOYSA-N 1 2 389.272 3.567 20 30 GHEDLO N#Cc1ccc(N2CCC[N@H+](Cc3ccc(Br)c(F)c3)CC2)nc1 ZINC001140213048 1026988871 /nfs/dbraw/zinc/98/88/71/1026988871.db2.gz ODPKFKVOHYDEHG-UHFFFAOYSA-N 1 2 389.272 3.567 20 30 GHEDLO N#C[C@@H]1C[NH2+]CCN1Cc1ccc(OCCCCCCCCCCCO)cc1 ZINC001210120136 1027346595 /nfs/dbraw/zinc/34/65/95/1027346595.db2.gz ACZWDTYXBOZVEA-JOCHJYFZSA-N 1 2 387.568 3.866 20 30 GHEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC001141813332 1027346569 /nfs/dbraw/zinc/34/65/69/1027346569.db2.gz JFFUAYMPWAJWCX-MRXNPFEDSA-N 1 2 390.325 3.545 20 30 GHEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC001141813332 1027346588 /nfs/dbraw/zinc/34/65/88/1027346588.db2.gz JFFUAYMPWAJWCX-MRXNPFEDSA-N 1 2 390.325 3.545 20 30 GHEDLO Cc1cc(NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c(C#N)cc1[N+](=O)[O-] ZINC000840268688 1027396549 /nfs/dbraw/zinc/39/65/49/1027396549.db2.gz NIOXTGPMRSFDBL-UHFFFAOYSA-N 1 2 379.464 3.922 20 30 GHEDLO Cc1cc(C#N)cc(Nc2ccc(C(=O)N3CCN(c4cccc[nH+]4)CC3)cc2)c1 ZINC001210389495 1027483741 /nfs/dbraw/zinc/48/37/41/1027483741.db2.gz IEQSXNHMNQTBCB-UHFFFAOYSA-N 1 2 397.482 3.968 20 30 GHEDLO COc1cc(Nc2c(C#N)cnn2-c2ccccc2Br)cc(C)[nH+]1 ZINC001210779041 1027649345 /nfs/dbraw/zinc/64/93/45/1027649345.db2.gz CWZCWIHTFDYWOT-UHFFFAOYSA-N 1 2 384.237 3.962 20 30 GHEDLO CSc1nc(C[N@@H+]2CCCC[C@H]2CNC(=O)OC(C)(C)C)ccc1C#N ZINC001141929233 1027685751 /nfs/dbraw/zinc/68/57/51/1027685751.db2.gz QSYUECDPISNWTA-INIZCTEOSA-N 1 2 376.526 3.554 20 30 GHEDLO CSc1nc(C[N@H+]2CCCC[C@H]2CNC(=O)OC(C)(C)C)ccc1C#N ZINC001141929233 1027685756 /nfs/dbraw/zinc/68/57/56/1027685756.db2.gz QSYUECDPISNWTA-INIZCTEOSA-N 1 2 376.526 3.554 20 30 GHEDLO COC(=O)[C@H]1CC[N@H+](Cc2ccc(C#N)c(SC)n2)[C@@H](c2ccccc2)C1 ZINC001141946056 1027726683 /nfs/dbraw/zinc/72/66/83/1027726683.db2.gz XULPODKUZCCYDZ-QFBILLFUSA-N 1 2 381.501 3.801 20 30 GHEDLO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(C#N)c(SC)n2)[C@@H](c2ccccc2)C1 ZINC001141946056 1027726705 /nfs/dbraw/zinc/72/67/05/1027726705.db2.gz XULPODKUZCCYDZ-QFBILLFUSA-N 1 2 381.501 3.801 20 30 GHEDLO CC#Cc1cncc(Nc2cncnc2[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC001211053890 1027769104 /nfs/dbraw/zinc/76/91/04/1027769104.db2.gz FFQIRRHBYXJXAE-JOCHJYFZSA-N 1 2 385.471 3.560 20 30 GHEDLO CC#Cc1cncc(Nc2cncnc2[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC001211053890 1027769118 /nfs/dbraw/zinc/76/91/18/1027769118.db2.gz FFQIRRHBYXJXAE-JOCHJYFZSA-N 1 2 385.471 3.560 20 30 GHEDLO COc1ccc(C[NH+]2CCOCC2)cc1Nc1c(F)cc(C#N)cc1Cl ZINC001215551842 1029277462 /nfs/dbraw/zinc/27/74/62/1029277462.db2.gz NFDVSWZRFJNFAB-UHFFFAOYSA-N 1 2 375.831 3.935 20 30 GHEDLO CCNc1cc(CNC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)cc[nH+]1 ZINC001216110255 1029527915 /nfs/dbraw/zinc/52/79/15/1029527915.db2.gz LCUDFCSWDVEWKR-UHFFFAOYSA-N 1 2 395.854 3.546 20 30 GHEDLO N#Cc1ccccc1N(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CCC1 ZINC001461561160 1069610374 /nfs/dbraw/zinc/61/03/74/1069610374.db2.gz WAHGZGVFYHZKPB-UHFFFAOYSA-N 1 2 387.399 3.851 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3c(F)ccc(C#N)c3F)CC[C@H]21 ZINC001143166985 1029878066 /nfs/dbraw/zinc/87/80/66/1029878066.db2.gz OFCBGHMPEOCOGS-RHSMWYFYSA-N 1 2 377.435 3.668 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3c(F)ccc(C#N)c3F)CC[C@H]21 ZINC001143166985 1029878070 /nfs/dbraw/zinc/87/80/70/1029878070.db2.gz OFCBGHMPEOCOGS-RHSMWYFYSA-N 1 2 377.435 3.668 20 30 GHEDLO CN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+](Cc1c(F)ccc(C#N)c1F)CC2 ZINC001143169861 1029880315 /nfs/dbraw/zinc/88/03/15/1029880315.db2.gz ULFCIZIRDPBQAQ-GOSISDBHSA-N 1 2 395.453 3.817 20 30 GHEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H]3O[C@@H](COCc4ccccn4)CC[C@H]32)c1F ZINC001143170974 1029880728 /nfs/dbraw/zinc/88/07/28/1029880728.db2.gz NKXTXNKATDGYGW-DUXKGJEZSA-N 1 2 399.441 3.570 20 30 GHEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H]3O[C@@H](COCc4ccccn4)CC[C@H]32)c1F ZINC001143170974 1029880733 /nfs/dbraw/zinc/88/07/33/1029880733.db2.gz NKXTXNKATDGYGW-DUXKGJEZSA-N 1 2 399.441 3.570 20 30 GHEDLO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000843424964 1029997046 /nfs/dbraw/zinc/99/70/46/1029997046.db2.gz BJJQCFQTSYVYSD-QGZVFWFLSA-N 1 2 398.816 3.703 20 30 GHEDLO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000843424964 1029997054 /nfs/dbraw/zinc/99/70/54/1029997054.db2.gz BJJQCFQTSYVYSD-QGZVFWFLSA-N 1 2 398.816 3.703 20 30 GHEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)C(=O)/C=C\c2ccc(F)cc2)c(C)c1 ZINC001151918062 1031050929 /nfs/dbraw/zinc/05/09/29/1031050929.db2.gz NYGDOPKDIMYZKZ-RACPOZDESA-N 1 2 391.446 3.779 20 30 GHEDLO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3nc(C)sc3Br)CC2)C1=O ZINC001276992437 1031086527 /nfs/dbraw/zinc/08/65/27/1031086527.db2.gz PXXXKCXJPRBQBA-KRWDZBQOSA-N 1 2 398.370 3.605 20 30 GHEDLO C=CCN1CC[C@@]2(CCC[N@H+](Cc3nc(C)sc3Br)CC2)C1=O ZINC001276992437 1031086546 /nfs/dbraw/zinc/08/65/46/1031086546.db2.gz PXXXKCXJPRBQBA-KRWDZBQOSA-N 1 2 398.370 3.605 20 30 GHEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(Cl)cnc1OC(C)C ZINC001276997613 1031126734 /nfs/dbraw/zinc/12/67/34/1031126734.db2.gz YTMMSTUJQWINNR-HXUWFJFHSA-N 1 2 377.916 3.665 20 30 GHEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Cl)cnc1OC(C)C ZINC001276997613 1031126744 /nfs/dbraw/zinc/12/67/44/1031126744.db2.gz YTMMSTUJQWINNR-HXUWFJFHSA-N 1 2 377.916 3.665 20 30 GHEDLO C[C@H](C(=O)Nc1ccc(O[C@@H]2CC[NH2+]CC2(F)F)cc1)c1ccc(C#N)cc1 ZINC001219456209 1031428949 /nfs/dbraw/zinc/42/89/49/1031428949.db2.gz KEUQSCCDDYTLES-IFXJQAMLSA-N 1 2 385.414 3.676 20 30 GHEDLO C[C@H](C#N)c1cccc(C(=O)Nc2ccc(O[C@@H]3CC[NH2+]CC3(F)F)cc2)c1 ZINC001219461761 1031435254 /nfs/dbraw/zinc/43/52/54/1031435254.db2.gz OVAYPLBJBKTRTC-AUUYWEPGSA-N 1 2 385.414 3.942 20 30 GHEDLO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@@H](F)C[C@H]2C#N)n1 ZINC001157481371 1033613155 /nfs/dbraw/zinc/61/31/55/1033613155.db2.gz QVOIUBNYOOCOPG-GJZGRUSLSA-N 1 2 381.480 3.860 20 30 GHEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(Br)c(OC)c1 ZINC001276510764 1034119594 /nfs/dbraw/zinc/11/95/94/1034119594.db2.gz MFBJGKGHKDPPQF-LJQANCHMSA-N 1 2 393.325 3.601 20 30 GHEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(Br)c(OC)c1 ZINC001276510764 1034119602 /nfs/dbraw/zinc/11/96/02/1034119602.db2.gz MFBJGKGHKDPPQF-LJQANCHMSA-N 1 2 393.325 3.601 20 30 GHEDLO CO[C@]1(C(F)(F)F)CC[N@H+](Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC001207312835 1034260390 /nfs/dbraw/zinc/26/03/90/1034260390.db2.gz HSELZVLMDRSZEC-CYBMUJFWSA-N 1 2 375.284 3.920 20 30 GHEDLO CO[C@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC001207312835 1034260402 /nfs/dbraw/zinc/26/04/02/1034260402.db2.gz HSELZVLMDRSZEC-CYBMUJFWSA-N 1 2 375.284 3.920 20 30 GHEDLO CCOC(=O)c1cc2cc[nH+]c(N3CCC(C#N)(c4ccccc4F)CC3)c2[nH]1 ZINC001158888303 1034320723 /nfs/dbraw/zinc/32/07/23/1034320723.db2.gz URETWQWWVBOSOP-UHFFFAOYSA-N 1 2 392.434 3.940 20 30 GHEDLO Fc1cccnc1C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001207704297 1034536595 /nfs/dbraw/zinc/53/65/95/1034536595.db2.gz PUODRVZUNWSIIU-OCAPTIKFSA-N 1 2 378.238 3.824 20 30 GHEDLO Fc1cccnc1C[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001207704297 1034536602 /nfs/dbraw/zinc/53/66/02/1034536602.db2.gz PUODRVZUNWSIIU-OCAPTIKFSA-N 1 2 378.238 3.824 20 30 GHEDLO C=CCOc1cccc(C[N@@H+]2CCC(F)(F)[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001231624616 1034784064 /nfs/dbraw/zinc/78/40/64/1034784064.db2.gz RWVDFZKTEAYTSU-QGZVFWFLSA-N 1 2 382.451 3.986 20 30 GHEDLO C=CCOc1cccc(C[N@H+]2CCC(F)(F)[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001231624616 1034784077 /nfs/dbraw/zinc/78/40/77/1034784077.db2.gz RWVDFZKTEAYTSU-QGZVFWFLSA-N 1 2 382.451 3.986 20 30 GHEDLO Cn1nc(C(F)F)c(C[N@@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)c1Cl ZINC001232056339 1035068243 /nfs/dbraw/zinc/06/82/43/1035068243.db2.gz PGVVQKHPGDDFQU-AWEZNQCLSA-N 1 2 380.826 3.926 20 30 GHEDLO Cn1nc(C(F)F)c(C[N@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)c1Cl ZINC001232056339 1035068250 /nfs/dbraw/zinc/06/82/50/1035068250.db2.gz PGVVQKHPGDDFQU-AWEZNQCLSA-N 1 2 380.826 3.926 20 30 GHEDLO CN(Cc1ccco1)[C@@H]1C[N@H+](Cc2ccc(C#N)c(Cl)c2)[C@@H]2CCCO[C@H]12 ZINC001232114865 1035104574 /nfs/dbraw/zinc/10/45/74/1035104574.db2.gz XWSSTIGMMXKYAH-NJYVYQBISA-N 1 2 385.895 3.668 20 30 GHEDLO CN(Cc1ccco1)[C@@H]1C[N@@H+](Cc2ccc(C#N)c(Cl)c2)[C@@H]2CCCO[C@H]12 ZINC001232114865 1035104580 /nfs/dbraw/zinc/10/45/80/1035104580.db2.gz XWSSTIGMMXKYAH-NJYVYQBISA-N 1 2 385.895 3.668 20 30 GHEDLO CN1CC[NH+](CCNc2ccc(-c3ccc(-c4ccc(C#N)o4)cc3)cn2)CC1 ZINC001241560909 1035624015 /nfs/dbraw/zinc/62/40/15/1035624015.db2.gz SIQNOJSXBZNTQL-UHFFFAOYSA-N 1 2 387.487 3.540 20 30 GHEDLO N#Cc1ccc(Oc2nc(-c3cccc(C[NH+]4CCOCC4)c3)ncc2F)cc1 ZINC001241816742 1035710318 /nfs/dbraw/zinc/71/03/18/1035710318.db2.gz YZHMPGXECQJWML-UHFFFAOYSA-N 1 2 390.418 3.779 20 30 GHEDLO N#Cc1ccc(NC(=S)NCc2c[nH+]cn2Cc2ccc(Cl)cc2)cc1 ZINC001245954592 1037079323 /nfs/dbraw/zinc/07/93/23/1037079323.db2.gz OGJKPOXQFDNYLS-UHFFFAOYSA-N 1 2 381.892 3.943 20 30 GHEDLO CCOC[C@@H]1C[N@H+](Cc2cc(C#N)ccc2O)Cc2cn(CC3CCCC3)nc21 ZINC001232677485 1038476258 /nfs/dbraw/zinc/47/62/58/1038476258.db2.gz MBIRBHDWRAFRDS-NRFANRHFSA-N 1 2 394.519 3.786 20 30 GHEDLO CCOC[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2O)Cc2cn(CC3CCCC3)nc21 ZINC001232677485 1038476264 /nfs/dbraw/zinc/47/62/64/1038476264.db2.gz MBIRBHDWRAFRDS-NRFANRHFSA-N 1 2 394.519 3.786 20 30 GHEDLO COC(=O)[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc(Br)c(C#N)c1 ZINC001232898522 1038692632 /nfs/dbraw/zinc/69/26/32/1038692632.db2.gz WTBVKRHYMNJYML-SFHVURJKSA-N 1 2 387.277 3.537 20 30 GHEDLO COC(=O)[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(Br)c(C#N)c1 ZINC001232898522 1038692640 /nfs/dbraw/zinc/69/26/40/1038692640.db2.gz WTBVKRHYMNJYML-SFHVURJKSA-N 1 2 387.277 3.537 20 30 GHEDLO Cc1ccc(C[N@@H+]2CCO[C@]3(CCC[C@H]3COCc3cccnc3)C2)c(C#N)c1 ZINC001232965001 1038739015 /nfs/dbraw/zinc/73/90/15/1038739015.db2.gz HYKSPTSZVFPYHS-BJKOFHAPSA-N 1 2 391.515 3.850 20 30 GHEDLO Cc1ccc(C[N@H+]2CCO[C@]3(CCC[C@H]3COCc3cccnc3)C2)c(C#N)c1 ZINC001232965001 1038739024 /nfs/dbraw/zinc/73/90/24/1038739024.db2.gz HYKSPTSZVFPYHS-BJKOFHAPSA-N 1 2 391.515 3.850 20 30 GHEDLO COc1cc(F)c(C[NH+]2CCC(Oc3ccc(C#N)cc3OC)CC2)cc1F ZINC001233343981 1039152797 /nfs/dbraw/zinc/15/27/97/1039152797.db2.gz IUJVHQSCHCMKKB-UHFFFAOYSA-N 1 2 388.414 3.897 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@@]12CC[N@H+](Cc1c(F)cc(C#N)cc1F)C2 ZINC001235651078 1041095644 /nfs/dbraw/zinc/09/56/44/1041095644.db2.gz KHRBXWDVTMYSNU-FQEVSTJZSA-N 1 2 377.435 3.812 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@@]12CC[N@@H+](Cc1c(F)cc(C#N)cc1F)C2 ZINC001235651078 1041095666 /nfs/dbraw/zinc/09/56/66/1041095666.db2.gz KHRBXWDVTMYSNU-FQEVSTJZSA-N 1 2 377.435 3.812 20 30 GHEDLO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3c(F)cc(C#N)cc3F)C[C@@H]12 ZINC001235654670 1041103651 /nfs/dbraw/zinc/10/36/51/1041103651.db2.gz PVWXUIVYBIDXNU-DHIUTWEWSA-N 1 2 395.453 3.601 20 30 GHEDLO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@@H+](Cc3c(F)cc(C#N)cc3F)C[C@@H]12 ZINC001235654670 1041103666 /nfs/dbraw/zinc/10/36/66/1041103666.db2.gz PVWXUIVYBIDXNU-DHIUTWEWSA-N 1 2 395.453 3.601 20 30 GHEDLO N#Cc1cc(F)c(C[N@@H+]2CCCN(c3ncccc3C(F)(F)F)CC2)c(F)c1 ZINC001235658707 1041108681 /nfs/dbraw/zinc/10/86/81/1041108681.db2.gz REKPBTSFFHIQJF-UHFFFAOYSA-N 1 2 396.363 3.963 20 30 GHEDLO N#Cc1cc(F)c(C[N@H+]2CCCN(c3ncccc3C(F)(F)F)CC2)c(F)c1 ZINC001235658707 1041108703 /nfs/dbraw/zinc/10/87/03/1041108703.db2.gz REKPBTSFFHIQJF-UHFFFAOYSA-N 1 2 396.363 3.963 20 30 GHEDLO N#Cc1cc(F)c(C[NH+]2CCC(n3cc(Br)cn3)CC2)c(F)c1 ZINC001235660518 1041111484 /nfs/dbraw/zinc/11/14/84/1041111484.db2.gz FOWOORRKPJKWNT-UHFFFAOYSA-N 1 2 381.224 3.633 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(O)c(OC(F)(F)F)c3)CC2)c(F)c1 ZINC001235671893 1041128270 /nfs/dbraw/zinc/12/82/70/1041128270.db2.gz CQTQLIDHAPHXJJ-UHFFFAOYSA-N 1 2 395.356 3.624 20 30 GHEDLO N#Cc1ccc(CN2CCC[C@@]3(C2)C[N@H+](CCCC(F)(F)F)CCO3)s1 ZINC001278925888 1041684450 /nfs/dbraw/zinc/68/44/50/1041684450.db2.gz RPIOCZQTOHRPHO-KRWDZBQOSA-N 1 2 387.471 3.629 20 30 GHEDLO N#Cc1ccc(CN2CCC[C@@]3(C2)C[N@@H+](CCCC(F)(F)F)CCO3)s1 ZINC001278925888 1041684451 /nfs/dbraw/zinc/68/44/51/1041684451.db2.gz RPIOCZQTOHRPHO-KRWDZBQOSA-N 1 2 387.471 3.629 20 30 GHEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1cnc(Cl)c(C(F)(F)F)c1)CC2 ZINC001236625760 1041790723 /nfs/dbraw/zinc/79/07/23/1041790723.db2.gz JNVXOBNCIABREJ-UHFFFAOYSA-N 1 2 387.833 3.897 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1cc2ccccc2cc1OC ZINC001236679420 1041825083 /nfs/dbraw/zinc/82/50/83/1041825083.db2.gz SXTDPYQEBGRRMK-NRFANRHFSA-N 1 2 377.488 3.884 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1cc2ccccc2cc1OC ZINC001236679420 1041825089 /nfs/dbraw/zinc/82/50/89/1041825089.db2.gz SXTDPYQEBGRRMK-NRFANRHFSA-N 1 2 377.488 3.884 20 30 GHEDLO C=CCOC[C@H]1C[N@H+](Cc2cccc3occc32)Cc2nnn(CC3CC3)c21 ZINC001236737934 1041867972 /nfs/dbraw/zinc/86/79/72/1041867972.db2.gz PDXKSIKEMDLHTA-GOSISDBHSA-N 1 2 378.476 3.736 20 30 GHEDLO C=CCOC[C@H]1C[N@@H+](Cc2cccc3occc32)Cc2nnn(CC3CC3)c21 ZINC001236737934 1041867975 /nfs/dbraw/zinc/86/79/75/1041867975.db2.gz PDXKSIKEMDLHTA-GOSISDBHSA-N 1 2 378.476 3.736 20 30 GHEDLO CC(C)(C)OC(=O)O[C@H]1CC[N@H+](Cc2ccc(C#N)c(Br)c2)C1 ZINC001236855829 1041930425 /nfs/dbraw/zinc/93/04/25/1041930425.db2.gz NNLPOVBZSNUZKC-AWEZNQCLSA-N 1 2 381.270 3.847 20 30 GHEDLO CC(C)(C)OC(=O)O[C@H]1CC[N@@H+](Cc2ccc(C#N)c(Br)c2)C1 ZINC001236855829 1041930426 /nfs/dbraw/zinc/93/04/26/1041930426.db2.gz NNLPOVBZSNUZKC-AWEZNQCLSA-N 1 2 381.270 3.847 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](Cc3c(O)cccc3OC(F)(F)F)CC2)c(F)c1 ZINC001237114132 1042046278 /nfs/dbraw/zinc/04/62/78/1042046278.db2.gz HZKNXXSJEMSBDA-UHFFFAOYSA-N 1 2 395.356 3.624 20 30 GHEDLO N#Cc1cc(C[NH+]2CCC(c3nc(-c4cccnc4)no3)CC2)c(F)cc1F ZINC001237526731 1042251224 /nfs/dbraw/zinc/25/12/24/1042251224.db2.gz QSQVEPFKKOQCQU-UHFFFAOYSA-N 1 2 381.386 3.661 20 30 GHEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cc(OCC)cc(C(F)(F)F)c2)C1 ZINC001238496807 1042619565 /nfs/dbraw/zinc/61/95/65/1042619565.db2.gz FPVXTNMBLLBBDS-INIZCTEOSA-N 1 2 386.414 3.981 20 30 GHEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cc(OCC)cc(C(F)(F)F)c2)C1 ZINC001238496807 1042619568 /nfs/dbraw/zinc/61/95/68/1042619568.db2.gz FPVXTNMBLLBBDS-INIZCTEOSA-N 1 2 386.414 3.981 20 30 GHEDLO COC(=O)C1(C#N)CC[NH+](Cc2cccc(OCc3ccccc3)c2OC)CC1 ZINC001238745121 1042711095 /nfs/dbraw/zinc/71/10/95/1042711095.db2.gz JZQGKXYCDDQJSG-UHFFFAOYSA-N 1 2 394.471 3.553 20 30 GHEDLO C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNc2cccc[nH+]2)C1 ZINC001291153293 1043112632 /nfs/dbraw/zinc/11/26/32/1043112632.db2.gz CQVVLYWLFPBJII-QGZVFWFLSA-N 1 2 387.491 3.560 20 30 GHEDLO N#C[C@H]1CC[C@@H](Nc2[nH+]cnc3c2cnn3-c2cccc(Br)c2)C1 ZINC001307148007 1043729472 /nfs/dbraw/zinc/72/94/72/1043729472.db2.gz ZPRDGWJQQUCONQ-WCQYABFASA-N 1 2 383.253 3.682 20 30 GHEDLO C=CC[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](c2ccccc2)C1)C(=O)OC ZINC001256936436 1043760484 /nfs/dbraw/zinc/76/04/84/1043760484.db2.gz GAGFLXHODOIGIZ-GBESFXJTSA-N 1 2 388.508 3.835 20 30 GHEDLO C=C[C@@H]1C[C@]1([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)C)C1)C(=O)OCC ZINC001257182814 1043922894 /nfs/dbraw/zinc/92/28/94/1043922894.db2.gz NNPCLGZZONNIFG-PZTGFMGMSA-N 1 2 380.529 3.508 20 30 GHEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC001297051915 1045435969 /nfs/dbraw/zinc/43/59/69/1045435969.db2.gz XCCAHLHNWWZZHY-MRXNPFEDSA-N 1 2 380.492 3.705 20 30 GHEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC001297051915 1045435971 /nfs/dbraw/zinc/43/59/71/1045435971.db2.gz XCCAHLHNWWZZHY-MRXNPFEDSA-N 1 2 380.492 3.705 20 30 GHEDLO C=CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC001260560556 1045550645 /nfs/dbraw/zinc/55/06/45/1045550645.db2.gz YKPHUOBQLWRWNN-NSHDSACASA-N 1 2 383.728 3.576 20 30 GHEDLO C=CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC001260560556 1045550653 /nfs/dbraw/zinc/55/06/53/1045550653.db2.gz YKPHUOBQLWRWNN-NSHDSACASA-N 1 2 383.728 3.576 20 30 GHEDLO N#C[C@@H](NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1Br ZINC001301312088 1046474526 /nfs/dbraw/zinc/47/45/26/1046474526.db2.gz ZUQQDFVMHMZZMZ-GOSISDBHSA-N 1 2 395.260 3.558 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC[C@H](COC)C1 ZINC001263305023 1046702212 /nfs/dbraw/zinc/70/22/12/1046702212.db2.gz PFTYFHUIWOOJLE-RBUKOAKNSA-N 1 2 386.544 3.549 20 30 GHEDLO C=CC[C@@H]1N(c2nnc([C@@H]3CCC[N@H+]3C)n2C[C@H]2CCOC2)CCCC1(C)C ZINC001263570688 1046956069 /nfs/dbraw/zinc/95/60/69/1046956069.db2.gz IAHYGHYSLFFIDL-QYZOEREBSA-N 1 2 387.572 3.652 20 30 GHEDLO C=CC[C@@H]1N(c2nnc([C@@H]3CCC[N@@H+]3C)n2C[C@H]2CCOC2)CCCC1(C)C ZINC001263570688 1046956070 /nfs/dbraw/zinc/95/60/70/1046956070.db2.gz IAHYGHYSLFFIDL-QYZOEREBSA-N 1 2 387.572 3.652 20 30 GHEDLO CCc1ccc([C@H](C)NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000588639451 1047105183 /nfs/dbraw/zinc/10/51/83/1047105183.db2.gz BUHKZHFNBBFSRG-SFHVURJKSA-N 1 2 376.504 3.709 20 30 GHEDLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2cc(F)c(C#N)c(F)c2)CC1 ZINC001303314104 1047357545 /nfs/dbraw/zinc/35/75/45/1047357545.db2.gz SOGUSOIVRINDQB-HXUWFJFHSA-N 1 2 387.405 3.885 20 30 GHEDLO C#CCN(CC)c1nnc(C2CCCC2)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001286446595 1048327364 /nfs/dbraw/zinc/32/73/64/1048327364.db2.gz VLFLTUFSHIKNPH-UHFFFAOYSA-N 1 2 388.519 3.688 20 30 GHEDLO C=C1CCN(c2nnc(CC)n2C[C@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001286646836 1048413294 /nfs/dbraw/zinc/41/32/94/1048413294.db2.gz WDDHRWSIUNWTBY-QGZVFWFLSA-N 1 2 375.467 3.578 20 30 GHEDLO C[C@H](C#N)CN(C)c1nnc(C2CCC2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001286966437 1048559153 /nfs/dbraw/zinc/55/91/53/1048559153.db2.gz STGFELDXGXPBJK-QGZVFWFLSA-N 1 2 393.539 3.575 20 30 GHEDLO C#CC[N@@H+](CC(=O)Nc1sc(C)cc1C(=O)OCC)[C@H]1CCc2ccccc21 ZINC001307431292 1049267788 /nfs/dbraw/zinc/26/77/88/1049267788.db2.gz WGFQSBQBMBWDPK-IBGZPJMESA-N 1 2 396.512 3.794 20 30 GHEDLO C#CC[N@H+](CC(=O)Nc1sc(C)cc1C(=O)OCC)[C@H]1CCc2ccccc21 ZINC001307431292 1049267800 /nfs/dbraw/zinc/26/78/00/1049267800.db2.gz WGFQSBQBMBWDPK-IBGZPJMESA-N 1 2 396.512 3.794 20 30 GHEDLO N#Cc1cnn2c1[nH]c(C[N@H+](Cc1ccccc1)Cc1ccccc1F)cc2=O ZINC001307435126 1049271041 /nfs/dbraw/zinc/27/10/41/1049271041.db2.gz ISAITSYUQFPYJQ-UHFFFAOYSA-N 1 2 387.418 3.648 20 30 GHEDLO N#Cc1cnn2c1[nH]c(C[N@@H+](Cc1ccccc1)Cc1ccccc1F)cc2=O ZINC001307435126 1049271047 /nfs/dbraw/zinc/27/10/47/1049271047.db2.gz ISAITSYUQFPYJQ-UHFFFAOYSA-N 1 2 387.418 3.648 20 30 GHEDLO C=CC[N@@H+](CCN1CCc2ccccc21)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001307683139 1049504158 /nfs/dbraw/zinc/50/41/58/1049504158.db2.gz ASURSGQLAIMREM-QHCPKHFHSA-N 1 2 378.516 3.712 20 30 GHEDLO C=CC[N@H+](CCN1CCc2ccccc21)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001307683139 1049504165 /nfs/dbraw/zinc/50/41/65/1049504165.db2.gz ASURSGQLAIMREM-QHCPKHFHSA-N 1 2 378.516 3.712 20 30 GHEDLO CC[C@@H]1Cc2c(Br)cccc2C[N@@H+]1CC(=O)N(CC)C[C@@H](C)C#N ZINC001307725332 1049539810 /nfs/dbraw/zinc/53/98/10/1049539810.db2.gz NUEQYHIFRSUVPI-GOEBONIOSA-N 1 2 392.341 3.594 20 30 GHEDLO CC[C@@H]1Cc2c(Br)cccc2C[N@H+]1CC(=O)N(CC)C[C@@H](C)C#N ZINC001307725332 1049539819 /nfs/dbraw/zinc/53/98/19/1049539819.db2.gz NUEQYHIFRSUVPI-GOEBONIOSA-N 1 2 392.341 3.594 20 30 GHEDLO COc1cc2c(cc1OC)[C@@H](C1CC1)[N@H+](CC(=O)Nc1cccc(C#N)c1)CC2 ZINC001308066849 1049815173 /nfs/dbraw/zinc/81/51/73/1049815173.db2.gz CZKUVOZREBIBPT-HSZRJFAPSA-N 1 2 391.471 3.523 20 30 GHEDLO COc1cc2c(cc1OC)[C@@H](C1CC1)[N@@H+](CC(=O)Nc1cccc(C#N)c1)CC2 ZINC001308066849 1049815180 /nfs/dbraw/zinc/81/51/80/1049815180.db2.gz CZKUVOZREBIBPT-HSZRJFAPSA-N 1 2 391.471 3.523 20 30 GHEDLO COc1cccc(Cl)c1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001311131814 1051888908 /nfs/dbraw/zinc/88/89/08/1051888908.db2.gz SZWYHDHGPWJNLW-UHFFFAOYSA-N 1 2 384.867 3.570 20 30 GHEDLO COc1ccccc1C[NH+]1CCN(C(=O)Nc2ccc(C3CC3)c(C#N)c2)CC1 ZINC001311160427 1051914601 /nfs/dbraw/zinc/91/46/01/1051914601.db2.gz MGDQISJKRGCHGZ-UHFFFAOYSA-N 1 2 390.487 3.794 20 30 GHEDLO N#Cc1ccc(C2CCN(C(=O)NCc3cccc(Cn4cc[nH+]c4)c3)CC2)cc1 ZINC001311352868 1052050787 /nfs/dbraw/zinc/05/07/87/1052050787.db2.gz NNYPDWWGZZAAOE-UHFFFAOYSA-N 1 2 399.498 3.892 20 30 GHEDLO CSc1ccc(CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1C#N ZINC001311683072 1052327529 /nfs/dbraw/zinc/32/75/29/1052327529.db2.gz WIMSGZAXFIQVHP-UHFFFAOYSA-N 1 2 395.463 3.604 20 30 GHEDLO C=CCn1c(-c2ccccc2OC)nn(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)c1=S ZINC001337217912 1052426384 /nfs/dbraw/zinc/42/63/84/1052426384.db2.gz DHYSYZWOYYDHNB-GASCZTMLSA-N 1 2 388.562 3.528 20 30 GHEDLO C=CCn1c(-c2ccccc2OC)nn(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)c1=S ZINC001337217912 1052426389 /nfs/dbraw/zinc/42/63/89/1052426389.db2.gz DHYSYZWOYYDHNB-GASCZTMLSA-N 1 2 388.562 3.528 20 30 GHEDLO C#Cc1ccc(CNC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC001311953007 1052497197 /nfs/dbraw/zinc/49/71/97/1052497197.db2.gz IAJMRVNSCVVCRW-HXUWFJFHSA-N 1 2 399.897 3.924 20 30 GHEDLO C#Cc1ccc(CNC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC001311953007 1052497203 /nfs/dbraw/zinc/49/72/03/1052497203.db2.gz IAJMRVNSCVVCRW-HXUWFJFHSA-N 1 2 399.897 3.924 20 30 GHEDLO CSc1ccc(CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1C#N ZINC001312824432 1052884188 /nfs/dbraw/zinc/88/41/88/1052884188.db2.gz ZQDKWVWPSHXHFK-UHFFFAOYSA-N 1 2 391.500 3.524 20 30 GHEDLO C=C(C)Cn1c([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1Cc2ccccc2[C@H]1C ZINC001342343463 1053118547 /nfs/dbraw/zinc/11/85/47/1053118547.db2.gz KPGPYTCXFQNBDT-YFVAEKQCSA-N 1 2 393.535 3.861 20 30 GHEDLO C=C(C)Cn1c([C@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1Cc2ccccc2[C@H]1C ZINC001342343463 1053118551 /nfs/dbraw/zinc/11/85/51/1053118551.db2.gz KPGPYTCXFQNBDT-YFVAEKQCSA-N 1 2 393.535 3.861 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCCO[C@H](c2ccccc2)C1 ZINC001342674743 1053292773 /nfs/dbraw/zinc/29/27/73/1053292773.db2.gz REDZFNXNPDGYBR-PMACEKPBSA-N 1 2 381.524 3.589 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCCO[C@H](c2ccccc2)C1 ZINC001342674743 1053292780 /nfs/dbraw/zinc/29/27/80/1053292780.db2.gz REDZFNXNPDGYBR-PMACEKPBSA-N 1 2 381.524 3.589 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCOCC2(CCC2)C1 ZINC001342707745 1053311679 /nfs/dbraw/zinc/31/16/79/1053311679.db2.gz OTLLTPIDGYMMCX-LJQANCHMSA-N 1 2 398.555 3.693 20 30 GHEDLO C=C(C)Cn1c(N2CCC(Nc3cccc[nH+]3)CC2)nnc1[C@@]1(C)CCC=CO1 ZINC001342708499 1053313170 /nfs/dbraw/zinc/31/31/70/1053313170.db2.gz SWXUDTFXASPOJS-JOCHJYFZSA-N 1 2 394.523 3.869 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC[C@H]1c1ccc(COC)o1 ZINC001343456544 1053782913 /nfs/dbraw/zinc/78/29/13/1053782913.db2.gz GUGWSSQMZWQJKB-ZWKOTPCHSA-N 1 2 385.512 3.702 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC[C@H]1c1ccc(COC)o1 ZINC001343456544 1053782918 /nfs/dbraw/zinc/78/29/18/1053782918.db2.gz GUGWSSQMZWQJKB-ZWKOTPCHSA-N 1 2 385.512 3.702 20 30 GHEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001343772111 1054015609 /nfs/dbraw/zinc/01/56/09/1054015609.db2.gz MLLUYANUXFWEDE-UHFFFAOYSA-N 1 2 375.561 3.624 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N(C)Cc1cnc(C(C)C)nc1 ZINC001343929141 1054123780 /nfs/dbraw/zinc/12/37/80/1054123780.db2.gz VRDBWDYLSUUOJF-GOSISDBHSA-N 1 2 383.544 3.561 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N(C)Cc1cnc(C(C)C)nc1 ZINC001343929141 1054123786 /nfs/dbraw/zinc/12/37/86/1054123786.db2.gz VRDBWDYLSUUOJF-GOSISDBHSA-N 1 2 383.544 3.561 20 30 GHEDLO CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)Nc2ccc(OCC#N)cc2)C1 ZINC001344545332 1054554443 /nfs/dbraw/zinc/55/44/43/1054554443.db2.gz ZDUOWPBNIODJAJ-INIZCTEOSA-N 1 2 381.480 3.952 20 30 GHEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)Nc2ccc(OCC#N)cc2)C[C@H](C)O1 ZINC001318472112 1054662698 /nfs/dbraw/zinc/66/26/98/1054662698.db2.gz BKJVSOQZUMDRSI-IRXDYDNUSA-N 1 2 394.475 3.842 20 30 GHEDLO C=C1CCN(c2nnc([C@@H](C)[N@H+](C)Cc3ccccc3)n2C[C@@H]2CCOC2)CC1 ZINC001345411736 1055028299 /nfs/dbraw/zinc/02/82/99/1055028299.db2.gz HQOWOLIWDAIKIV-CTNGQTDRSA-N 1 2 395.551 3.664 20 30 GHEDLO C=C1CCN(c2nnc([C@@H](C)[N@@H+](C)Cc3ccccc3)n2C[C@@H]2CCOC2)CC1 ZINC001345411736 1055028315 /nfs/dbraw/zinc/02/83/15/1055028315.db2.gz HQOWOLIWDAIKIV-CTNGQTDRSA-N 1 2 395.551 3.664 20 30 GHEDLO CC(C)C[C@H](c1nnc(N(C)[C@@H]2CCC[C@H]2C#N)n1CC1CC1)n1cc[nH+]c1 ZINC001345699441 1055211256 /nfs/dbraw/zinc/21/12/56/1055211256.db2.gz LWVCXZJQUIHZAQ-IPMKNSEASA-N 1 2 381.528 3.649 20 30 GHEDLO FC(F)(F)c1ccc(Br)c(C=NNCCCn2cc[nH+]c2)c1 ZINC000848417347 1057074886 /nfs/dbraw/zinc/07/48/86/1057074886.db2.gz WILOUFCTGHLZAO-UHFFFAOYSA-N 1 2 375.192 3.678 20 30 GHEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)c1csc(C#N)c1 ZINC001324644206 1057188631 /nfs/dbraw/zinc/18/86/31/1057188631.db2.gz IEMBRDMBPFFLDH-UHFFFAOYSA-N 1 2 394.500 3.948 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[C@H](COc2ccccc2)C1 ZINC001355930361 1057320927 /nfs/dbraw/zinc/32/09/27/1057320927.db2.gz VCGMWISUDYSMJA-AZUAARDMSA-N 1 2 381.524 3.526 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[C@H](COc2ccccc2)C1 ZINC001355930361 1057320929 /nfs/dbraw/zinc/32/09/29/1057320929.db2.gz VCGMWISUDYSMJA-AZUAARDMSA-N 1 2 381.524 3.526 20 30 GHEDLO C=CCn1c(-c2ccco2)nnc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC001338120785 1058415082 /nfs/dbraw/zinc/41/50/82/1058415082.db2.gz OSCYCIFGOMWSJU-UHFFFAOYSA-N 1 2 383.883 3.700 20 30 GHEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1Cc2ccccc2[C@@H](C)C1 ZINC001338690532 1058732635 /nfs/dbraw/zinc/73/26/35/1058732635.db2.gz LSSRFPANSGLNLF-CUWPLCDZSA-N 1 2 393.535 3.514 20 30 GHEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1Cc2ccccc2[C@@H](C)C1 ZINC001338690532 1058732655 /nfs/dbraw/zinc/73/26/55/1058732655.db2.gz LSSRFPANSGLNLF-CUWPLCDZSA-N 1 2 393.535 3.514 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@H](COCC)C1 ZINC001338995534 1058918237 /nfs/dbraw/zinc/91/82/37/1058918237.db2.gz QZUWVERGHNNAFP-ICSRJNTNSA-N 1 2 383.540 3.520 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@H](COCC)C1 ZINC001338995534 1058918240 /nfs/dbraw/zinc/91/82/40/1058918240.db2.gz QZUWVERGHNNAFP-ICSRJNTNSA-N 1 2 383.540 3.520 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@@H](C)C2(CCC2)C1 ZINC001338996291 1058918800 /nfs/dbraw/zinc/91/88/00/1058918800.db2.gz YMMKFDAWIDUKAS-GOSISDBHSA-N 1 2 382.556 3.574 20 30 GHEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N(C)Cc1c(C)noc1C ZINC001340490757 1059950251 /nfs/dbraw/zinc/95/02/51/1059950251.db2.gz LLBXMFMICJQAPB-QGZVFWFLSA-N 1 2 394.523 3.898 20 30 GHEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N(C)Cc1c(C)noc1C ZINC001340490757 1059950264 /nfs/dbraw/zinc/95/02/64/1059950264.db2.gz LLBXMFMICJQAPB-QGZVFWFLSA-N 1 2 394.523 3.898 20 30 GHEDLO CN(c1nnc([C@H]2CCCC[N@@H+]2C)n1Cc1ccccc1)[C@H]1CCC[C@H]1C#N ZINC001340515126 1059958784 /nfs/dbraw/zinc/95/87/84/1059958784.db2.gz WONWJYPOYYUDLP-SLFFLAALSA-N 1 2 378.524 3.612 20 30 GHEDLO CN(c1nnc([C@H]2CCCC[N@H+]2C)n1Cc1ccccc1)[C@H]1CCC[C@H]1C#N ZINC001340515126 1059958790 /nfs/dbraw/zinc/95/87/90/1059958790.db2.gz WONWJYPOYYUDLP-SLFFLAALSA-N 1 2 378.524 3.612 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCSC(CC)(CC)C1 ZINC001341034982 1060345179 /nfs/dbraw/zinc/34/51/79/1060345179.db2.gz HBTUCMJEJQWDBG-UHFFFAOYSA-N 1 2 390.601 3.503 20 30 GHEDLO CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)NCc2cc(C#N)ccc2F)C1 ZINC001342011769 1060994878 /nfs/dbraw/zinc/99/48/78/1060994878.db2.gz MTMAWFYPUUWRMH-INIZCTEOSA-N 1 2 383.471 3.738 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCO[C@H](c2ccccc2)C1 ZINC001342226388 1061154066 /nfs/dbraw/zinc/15/40/66/1061154066.db2.gz WRMKUFMYZAMFRL-UXHICEINSA-N 1 2 381.524 3.589 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCO[C@H](c2ccccc2)C1 ZINC001342226388 1061154072 /nfs/dbraw/zinc/15/40/72/1061154072.db2.gz WRMKUFMYZAMFRL-UXHICEINSA-N 1 2 381.524 3.589 20 30 GHEDLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC001455452107 1062158985 /nfs/dbraw/zinc/15/89/85/1062158985.db2.gz CGKBTPGKKPVEFS-LJQANCHMSA-N 1 2 387.405 3.885 20 30 GHEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)C1 ZINC001455707677 1062270893 /nfs/dbraw/zinc/27/08/93/1062270893.db2.gz XLPLQBQIOPOISR-QGZVFWFLSA-N 1 2 391.496 3.898 20 30 GHEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)C1 ZINC001455707677 1062270904 /nfs/dbraw/zinc/27/09/04/1062270904.db2.gz XLPLQBQIOPOISR-QGZVFWFLSA-N 1 2 391.496 3.898 20 30 GHEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@H]2CCCc3ccc(Br)cc32)CC1 ZINC001459884785 1064257013 /nfs/dbraw/zinc/25/70/13/1064257013.db2.gz WWHDEVMKAVMZJU-RBUKOAKNSA-N 1 2 376.342 3.992 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2Cc2ccccc2)nnc1N1CCC(C)(F)CC1 ZINC001352093811 1064829765 /nfs/dbraw/zinc/82/97/65/1064829765.db2.gz OXBOPWFTUQRDEQ-UHFFFAOYSA-N 1 2 394.498 3.628 20 30 GHEDLO CCc1ccc2c(c1)CN(c1nnc(C3CC[NH+](CCC#N)CC3)n1CC)CC2 ZINC001352495478 1065081345 /nfs/dbraw/zinc/08/13/45/1065081345.db2.gz SPHZCJUJEKGJJB-UHFFFAOYSA-N 1 2 392.551 3.516 20 30 GHEDLO C=CCCC1(CNC(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CCCC1 ZINC001465006132 1065322357 /nfs/dbraw/zinc/32/23/57/1065322357.db2.gz SHDLAMLKSGTBCJ-UHFFFAOYSA-N 1 2 398.551 3.722 20 30 GHEDLO C#C[C@@H](C)N(C)c1nnc(-c2ccccc2C)n1CCc1cn2ccccc2[nH+]1 ZINC001300292006 1065938678 /nfs/dbraw/zinc/93/86/78/1065938678.db2.gz HUJVXOSEMRQXBB-GOSISDBHSA-N 1 2 384.487 3.602 20 30 GHEDLO C=C(C)CN(CC)c1nnc(-c2ccccn2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001359110306 1067689453 /nfs/dbraw/zinc/68/94/53/1067689453.db2.gz IEDINLWUNXOFKP-SFHVURJKSA-N 1 2 391.523 3.825 20 30 GHEDLO C=CCN(c1nnc(Cc2ccsc2)n1Cc1c[nH+]ccc1OC)C1CC1 ZINC001359253001 1067906311 /nfs/dbraw/zinc/90/63/11/1067906311.db2.gz OKOKQFQYZMYSQT-UHFFFAOYSA-N 1 2 381.505 3.537 20 30 GHEDLO C#C[C@@H](NC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl)C(C)C ZINC001470397157 1068721781 /nfs/dbraw/zinc/72/17/81/1068721781.db2.gz FJMCSIDWKAPQGE-LJQANCHMSA-N 1 2 390.890 3.935 20 30 GHEDLO CC(=O)c1ccc(NC(=O)[C@@H](C)[NH+]2CCC(Nc3ccccc3C#N)CC2)cc1 ZINC001460546484 1068992263 /nfs/dbraw/zinc/99/22/63/1068992263.db2.gz PHELTFLVZRNLOX-MRXNPFEDSA-N 1 2 390.487 3.664 20 30 GHEDLO CC(C)C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)NC[C@H](C)C#N ZINC001478412227 1078857333 /nfs/dbraw/zinc/85/73/33/1078857333.db2.gz HPFITTGHBVYJFA-VQIMIIECSA-N 1 2 376.932 3.742 20 30 GHEDLO CC(C)C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)NC[C@H](C)C#N ZINC001478412227 1078857337 /nfs/dbraw/zinc/85/73/37/1078857337.db2.gz HPFITTGHBVYJFA-VQIMIIECSA-N 1 2 376.932 3.742 20 30 GHEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2C[C@@H](C)OCC[C@H]2C)c1C#N ZINC001460957886 1069297309 /nfs/dbraw/zinc/29/73/09/1069297309.db2.gz AIQPZMRTJQDBNT-HUUCEWRRSA-N 1 2 398.482 3.543 20 30 GHEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2C[C@@H](C)OCC[C@H]2C)c1C#N ZINC001460957886 1069297321 /nfs/dbraw/zinc/29/73/21/1069297321.db2.gz AIQPZMRTJQDBNT-HUUCEWRRSA-N 1 2 398.482 3.543 20 30 GHEDLO N#Cc1ccc(CCNC(=O)NCCN(Cc2ccccc2)c2cccc[nH+]2)cc1 ZINC001470790324 1072741917 /nfs/dbraw/zinc/74/19/17/1072741917.db2.gz IRNMGMWFETVAEA-UHFFFAOYSA-N 1 2 399.498 3.502 20 30 GHEDLO CC[C@@H]1C[N@H+](Cc2cncc(C#N)c2)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001473176469 1073832174 /nfs/dbraw/zinc/83/21/74/1073832174.db2.gz MAYDZQKMCBUIOG-FCHUYYIVSA-N 1 2 392.503 3.965 20 30 GHEDLO CC[C@@H]1C[N@@H+](Cc2cncc(C#N)c2)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001473176469 1073832194 /nfs/dbraw/zinc/83/21/94/1073832194.db2.gz MAYDZQKMCBUIOG-FCHUYYIVSA-N 1 2 392.503 3.965 20 30 GHEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)cc1Cl ZINC001473558293 1074015673 /nfs/dbraw/zinc/01/56/73/1074015673.db2.gz HKIKXHWQUFYSBQ-UHFFFAOYSA-N 1 2 378.259 3.944 20 30 GHEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)cc1Cl ZINC001473558293 1074015683 /nfs/dbraw/zinc/01/56/83/1074015683.db2.gz HKIKXHWQUFYSBQ-UHFFFAOYSA-N 1 2 378.259 3.944 20 30 GHEDLO C#CC[N@@H+](CC(=O)Nc1nnc(CCCC)s1)[C@@H]1CCCc2ccccc21 ZINC001473825681 1074161776 /nfs/dbraw/zinc/16/17/76/1074161776.db2.gz CFCOUOLOCLZRJF-GOSISDBHSA-N 1 2 382.533 3.832 20 30 GHEDLO C#CC[N@H+](CC(=O)Nc1nnc(CCCC)s1)[C@@H]1CCCc2ccccc21 ZINC001473825681 1074161786 /nfs/dbraw/zinc/16/17/86/1074161786.db2.gz CFCOUOLOCLZRJF-GOSISDBHSA-N 1 2 382.533 3.832 20 30 GHEDLO Cc1nn(-c2ccc(C)cc2)cc1C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC001474307119 1074333894 /nfs/dbraw/zinc/33/38/94/1074333894.db2.gz CZTWRVKKSCMJCM-DEOSSOPVSA-N 1 2 385.515 3.872 20 30 GHEDLO CCNc1cc(CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc[nH+]1 ZINC001475930514 1075051542 /nfs/dbraw/zinc/05/15/42/1075051542.db2.gz PXEFHTRPPAHBPS-UHFFFAOYSA-N 1 2 392.488 3.754 20 30 GHEDLO C[NH+](C)Cc1nc(CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)co1 ZINC001476131713 1075090512 /nfs/dbraw/zinc/09/05/12/1075090512.db2.gz VFOJULXFWFWYED-UHFFFAOYSA-N 1 2 391.431 3.722 20 30 GHEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc(OC)c(OC)c1Cl ZINC000823914201 608631339 /nfs/dbraw/zinc/63/13/39/608631339.db2.gz DEDYJWDZNWINRU-UHFFFAOYSA-N 1 2 399.882 3.726 20 30 GHEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc(OC)c(OC)c1Cl ZINC000823914201 608631341 /nfs/dbraw/zinc/63/13/41/608631341.db2.gz DEDYJWDZNWINRU-UHFFFAOYSA-N 1 2 399.882 3.726 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(Cc3coc(-c4ccccc4F)n3)CC2)cc1 ZINC000599260803 837558251 /nfs/dbraw/zinc/55/82/51/837558251.db2.gz FVKUPDDCROLHOH-UHFFFAOYSA-N 1 2 376.435 3.670 20 30 GHEDLO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000581658094 837576729 /nfs/dbraw/zinc/57/67/29/837576729.db2.gz NZTDKHHJESYDBT-NEWSRXKRSA-N 1 2 380.492 3.681 20 30 GHEDLO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000581658094 837576736 /nfs/dbraw/zinc/57/67/36/837576736.db2.gz NZTDKHHJESYDBT-NEWSRXKRSA-N 1 2 380.492 3.681 20 30 GHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000177036719 837726060 /nfs/dbraw/zinc/72/60/60/837726060.db2.gz HJCPYCNQXFERGX-QFIPXVFZSA-N 1 2 389.455 3.992 20 30 GHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000177036719 837726065 /nfs/dbraw/zinc/72/60/65/837726065.db2.gz HJCPYCNQXFERGX-QFIPXVFZSA-N 1 2 389.455 3.992 20 30 GHEDLO N#Cc1ccc(OCC[N@@H+]2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)cc1 ZINC000579767857 834609599 /nfs/dbraw/zinc/60/95/99/834609599.db2.gz MROKUZZPUHTSGT-IBGZPJMESA-N 1 2 392.377 3.909 20 30 GHEDLO N#Cc1ccc(OCC[N@H+]2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)cc1 ZINC000579767857 834609603 /nfs/dbraw/zinc/60/96/03/834609603.db2.gz MROKUZZPUHTSGT-IBGZPJMESA-N 1 2 392.377 3.909 20 30 GHEDLO CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000329298127 834781495 /nfs/dbraw/zinc/78/14/95/834781495.db2.gz UJRSXFCEKVIZHC-LJQANCHMSA-N 1 2 387.524 3.534 20 30 GHEDLO CC(C)c1nc2ccc(NC(=O)N3C[C@H]([NH+]4CCOCC4)C[C@H]3C)cc2s1 ZINC000329374237 834933315 /nfs/dbraw/zinc/93/33/15/834933315.db2.gz NJJZAUNWVGHIST-GDBMZVCRSA-N 1 2 388.537 3.760 20 30 GHEDLO C[NH+](C)Cc1cc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)ccc1Cl ZINC000500795183 844019112 /nfs/dbraw/zinc/01/91/12/844019112.db2.gz NBQFSCZGFBJXLL-UHFFFAOYSA-N 1 2 384.288 3.727 20 30 GHEDLO COc1cc(C[N@H+](C)CC(=O)NC(c2ccccc2)c2ccccc2)ccc1C#N ZINC000430222234 835238115 /nfs/dbraw/zinc/23/81/15/835238115.db2.gz FMKNGCAPXPYIEP-UHFFFAOYSA-N 1 2 399.494 3.904 20 30 GHEDLO COc1cc(C[N@@H+](C)CC(=O)NC(c2ccccc2)c2ccccc2)ccc1C#N ZINC000430222234 835238120 /nfs/dbraw/zinc/23/81/20/835238120.db2.gz FMKNGCAPXPYIEP-UHFFFAOYSA-N 1 2 399.494 3.904 20 30 GHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000512526083 844067812 /nfs/dbraw/zinc/06/78/12/844067812.db2.gz CBHHXGUPORCZKM-QGZVFWFLSA-N 1 2 397.523 3.828 20 30 GHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000512526083 844067823 /nfs/dbraw/zinc/06/78/23/844067823.db2.gz CBHHXGUPORCZKM-QGZVFWFLSA-N 1 2 397.523 3.828 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@](C)(C#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000612148442 835681330 /nfs/dbraw/zinc/68/13/30/835681330.db2.gz IIUNWPGUBGCXPM-NLWGTHIKSA-N 1 2 392.906 3.950 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)N2CCC[C@](C)(C#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000612148442 835681333 /nfs/dbraw/zinc/68/13/33/835681333.db2.gz IIUNWPGUBGCXPM-NLWGTHIKSA-N 1 2 392.906 3.950 20 30 GHEDLO C=C(C)COc1cc(C[NH+]2CCN(Cc3csc(C)n3)CC2)ccc1OC ZINC000179877525 835896630 /nfs/dbraw/zinc/89/66/30/835896630.db2.gz JJMROGXJYINKGE-UHFFFAOYSA-N 1 2 387.549 3.733 20 30 GHEDLO Cc1ccc(C#N)cc1NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000179755424 835967815 /nfs/dbraw/zinc/96/78/15/835967815.db2.gz LSMYKBGKXROJOL-VQTJNVASSA-N 1 2 398.894 3.714 20 30 GHEDLO Cc1ccc(C#N)cc1NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000179755424 835967817 /nfs/dbraw/zinc/96/78/17/835967817.db2.gz LSMYKBGKXROJOL-VQTJNVASSA-N 1 2 398.894 3.714 20 30 GHEDLO C[C@@]1(C#N)CCCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000612366833 836124458 /nfs/dbraw/zinc/12/44/58/836124458.db2.gz XQRSANOKKKFCDO-MJGOQNOKSA-N 1 2 390.325 3.738 20 30 GHEDLO CC[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@H](C)Cc1ccsc1 ZINC000275135655 836318512 /nfs/dbraw/zinc/31/85/12/836318512.db2.gz LTXZRUNDNQVUCN-RHSMWYFYSA-N 1 2 394.500 3.526 20 30 GHEDLO CC[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@H](C)Cc1ccsc1 ZINC000275135655 836318523 /nfs/dbraw/zinc/31/85/23/836318523.db2.gz LTXZRUNDNQVUCN-RHSMWYFYSA-N 1 2 394.500 3.526 20 30 GHEDLO O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000328641079 836521795 /nfs/dbraw/zinc/52/17/95/836521795.db2.gz CZWSTXOOLNVPKF-KRWDZBQOSA-N 1 2 395.507 3.676 20 30 GHEDLO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000510211875 836773392 /nfs/dbraw/zinc/77/33/92/836773392.db2.gz NMIJRIUQNKJLJC-UTKZUKDTSA-N 1 2 398.528 3.814 20 30 GHEDLO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000510211875 836773394 /nfs/dbraw/zinc/77/33/94/836773394.db2.gz NMIJRIUQNKJLJC-UTKZUKDTSA-N 1 2 398.528 3.814 20 30 GHEDLO CO[C@@H](C)c1nc(CO[NH+]=C(N)c2cccc(Cn3nc(C)cc3C)c2)cs1 ZINC000177573482 836814554 /nfs/dbraw/zinc/81/45/54/836814554.db2.gz SZXQWVLNMTUURS-HNNXBMFYSA-N 1 2 399.520 3.549 20 30 GHEDLO Cc1ccccc1Cc1noc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)n1 ZINC000175583094 836898528 /nfs/dbraw/zinc/89/85/28/836898528.db2.gz UBKYMSUHHMYYNB-UHFFFAOYSA-N 1 2 387.487 3.553 20 30 GHEDLO Cc1ccccc1Cc1noc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)n1 ZINC000175583094 836898534 /nfs/dbraw/zinc/89/85/34/836898534.db2.gz UBKYMSUHHMYYNB-UHFFFAOYSA-N 1 2 387.487 3.553 20 30 GHEDLO C[N@@H+]1CCc2nc(NC(=O)c3c[nH]c(=S)n3-c3ccc(F)cc3)sc2C1 ZINC000023609096 837336469 /nfs/dbraw/zinc/33/64/69/837336469.db2.gz MULMDTWYBSOEAA-UHFFFAOYSA-N 1 2 389.481 3.755 20 30 GHEDLO C[N@H+]1CCc2nc(NC(=O)c3c[nH]c(=S)n3-c3ccc(F)cc3)sc2C1 ZINC000023609096 837336480 /nfs/dbraw/zinc/33/64/80/837336480.db2.gz MULMDTWYBSOEAA-UHFFFAOYSA-N 1 2 389.481 3.755 20 30 GHEDLO Cn1cc(CNc2cc[nH+]c(OCC(F)(F)F)c2)c(-c2ccc(C#N)cc2)n1 ZINC000580663508 837381744 /nfs/dbraw/zinc/38/17/44/837381744.db2.gz OIDYONWTDOQPPL-UHFFFAOYSA-N 1 2 387.365 3.907 20 30 GHEDLO Cc1ccc(S(=O)(=O)n2ccc(C(=O)/C=C\c3c[nH+]c4ccccn34)c2)cc1 ZINC000255122963 838129132 /nfs/dbraw/zinc/12/91/32/838129132.db2.gz ABTULXUZNBVKFU-YFHOEESVSA-N 1 2 391.452 3.577 20 30 GHEDLO C=C(C)CN(Cc1ccccc1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000471495209 838531993 /nfs/dbraw/zinc/53/19/93/838531993.db2.gz FJSBGYITJATGRN-QHCPKHFHSA-N 1 2 393.531 3.675 20 30 GHEDLO C=C(C)CN(Cc1ccccc1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000471495209 838532000 /nfs/dbraw/zinc/53/20/00/838532000.db2.gz FJSBGYITJATGRN-QHCPKHFHSA-N 1 2 393.531 3.675 20 30 GHEDLO C#CC[C@H]([NH2+]Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1)c1ccccc1 ZINC000378534876 839294707 /nfs/dbraw/zinc/29/47/07/839294707.db2.gz XPGGKYVTSCKWIN-FQEVSTJZSA-N 1 2 380.469 3.599 20 30 GHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCCc3occc3C2)c1C#N ZINC000580738735 840090023 /nfs/dbraw/zinc/09/00/23/840090023.db2.gz YPUOYIVUPYQNPD-UHFFFAOYSA-N 1 2 388.471 3.946 20 30 GHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CCCc3occc3C2)c1C#N ZINC000580738735 840090037 /nfs/dbraw/zinc/09/00/37/840090037.db2.gz YPUOYIVUPYQNPD-UHFFFAOYSA-N 1 2 388.471 3.946 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)c1 ZINC000581242026 840931691 /nfs/dbraw/zinc/93/16/91/840931691.db2.gz OKDQKJQTTLVFGP-ZDUSSCGKSA-N 1 2 377.204 3.864 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)c1 ZINC000581242026 840931702 /nfs/dbraw/zinc/93/17/02/840931702.db2.gz OKDQKJQTTLVFGP-ZDUSSCGKSA-N 1 2 377.204 3.864 20 30 GHEDLO C=CCn1c(-c2cccc(Cl)c2)nn(C[N@H+](C)C[C@H]2CCOC2)c1=S ZINC000162446491 841067429 /nfs/dbraw/zinc/06/74/29/841067429.db2.gz LROCQVIYHSMDLP-CQSZACIVSA-N 1 2 378.929 3.846 20 30 GHEDLO C=CCn1c(-c2cccc(Cl)c2)nn(C[N@@H+](C)C[C@H]2CCOC2)c1=S ZINC000162446491 841067438 /nfs/dbraw/zinc/06/74/38/841067438.db2.gz LROCQVIYHSMDLP-CQSZACIVSA-N 1 2 378.929 3.846 20 30 GHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC[C@H]3C3CCOCC3)n2)C1 ZINC000329246785 861198433 /nfs/dbraw/zinc/19/84/33/861198433.db2.gz VWRBGEMWYANQRK-YJBOKZPZSA-N 1 2 392.569 3.812 20 30 GHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC[C@H]3C3CCOCC3)n2)C1 ZINC000329246785 861198438 /nfs/dbraw/zinc/19/84/38/861198438.db2.gz VWRBGEMWYANQRK-YJBOKZPZSA-N 1 2 392.569 3.812 20 30 GHEDLO C=CC[N@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)[C@@H](C)COC ZINC000661247067 841570132 /nfs/dbraw/zinc/57/01/32/841570132.db2.gz LZZNFXMTVHHBNW-DOTOQJQBSA-N 1 2 387.505 3.542 20 30 GHEDLO C=CC[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)[C@@H](C)COC ZINC000661247067 841570136 /nfs/dbraw/zinc/57/01/36/841570136.db2.gz LZZNFXMTVHHBNW-DOTOQJQBSA-N 1 2 387.505 3.542 20 30 GHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+](C[C@@H]2CCOC2)C2CC2)c1=S ZINC000123825683 841854765 /nfs/dbraw/zinc/85/47/65/841854765.db2.gz CUCRCHIURYHSCX-SFHVURJKSA-N 1 2 384.549 3.649 20 30 GHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+](C[C@@H]2CCOC2)C2CC2)c1=S ZINC000123825683 841854766 /nfs/dbraw/zinc/85/47/66/841854766.db2.gz CUCRCHIURYHSCX-SFHVURJKSA-N 1 2 384.549 3.649 20 30 GHEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000046920529 841914129 /nfs/dbraw/zinc/91/41/29/841914129.db2.gz HOOBNIXIJIECBC-UHFFFAOYSA-N 1 2 387.487 3.925 20 30 GHEDLO C=CCOc1ccccc1CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000303433844 841989816 /nfs/dbraw/zinc/98/98/16/841989816.db2.gz AKTJIQQFEONTBR-OAQYLSRUSA-N 1 2 382.529 3.658 20 30 GHEDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000328827548 842331534 /nfs/dbraw/zinc/33/15/34/842331534.db2.gz JNHXLWOMKNIYQB-GVDBMIGSSA-N 1 2 390.553 3.803 20 30 GHEDLO CC[N@@H+](Cc1ccc(N2CCC(C(=O)OC(C)(C)C)CC2)o1)C[C@@H](C)C#N ZINC000891715271 842734067 /nfs/dbraw/zinc/73/40/67/842734067.db2.gz BMIISZNOXIMCHR-INIZCTEOSA-N 1 2 375.513 3.819 20 30 GHEDLO CC[N@H+](Cc1ccc(N2CCC(C(=O)OC(C)(C)C)CC2)o1)C[C@@H](C)C#N ZINC000891715271 842734073 /nfs/dbraw/zinc/73/40/73/842734073.db2.gz BMIISZNOXIMCHR-INIZCTEOSA-N 1 2 375.513 3.819 20 30 GHEDLO O=C(C[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2)Nc1ccc2c(c1)OCCO2 ZINC000328877724 842771111 /nfs/dbraw/zinc/77/11/11/842771111.db2.gz ISTOURFXYLHFBA-QGZVFWFLSA-N 1 2 396.443 3.654 20 30 GHEDLO O=C(C[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2)Nc1ccc2c(c1)OCCO2 ZINC000328877724 842771122 /nfs/dbraw/zinc/77/11/22/842771122.db2.gz ISTOURFXYLHFBA-QGZVFWFLSA-N 1 2 396.443 3.654 20 30 GHEDLO N#C[C@H](NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000602095809 843088478 /nfs/dbraw/zinc/08/84/78/843088478.db2.gz GGWNSNWQFZDJFF-QWHCGFSZSA-N 1 2 390.287 3.776 20 30 GHEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@H]2c2ccccc2Br)c1 ZINC000610676245 843507157 /nfs/dbraw/zinc/50/71/57/843507157.db2.gz LINCUJNGERXUIE-IBGZPJMESA-N 1 2 398.304 3.774 20 30 GHEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@H]2c2ccccc2Br)c1 ZINC000610676245 843507170 /nfs/dbraw/zinc/50/71/70/843507170.db2.gz LINCUJNGERXUIE-IBGZPJMESA-N 1 2 398.304 3.774 20 30 GHEDLO CCN(CC)c1ccc(NCc2cn(CCC#N)nc2-c2ccncc2)c[nH+]1 ZINC000278897574 843624486 /nfs/dbraw/zinc/62/44/86/843624486.db2.gz YBXGPEYCPFUDKS-UHFFFAOYSA-N 1 2 375.480 3.712 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000512852837 843885692 /nfs/dbraw/zinc/88/56/92/843885692.db2.gz YKDDNKDIKHTWBO-KBPBESRZSA-N 1 2 383.464 3.580 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@H](COC(F)F)C1 ZINC000512852837 843885701 /nfs/dbraw/zinc/88/57/01/843885701.db2.gz YKDDNKDIKHTWBO-KBPBESRZSA-N 1 2 383.464 3.580 20 30 GHEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000329472209 861494579 /nfs/dbraw/zinc/49/45/79/861494579.db2.gz SEEUYLRUQIESFN-MJGOQNOKSA-N 1 2 382.508 3.685 20 30 GHEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000329472209 861494592 /nfs/dbraw/zinc/49/45/92/861494592.db2.gz SEEUYLRUQIESFN-MJGOQNOKSA-N 1 2 382.508 3.685 20 30 GHEDLO N#Cc1cc(Cl)ccc1CN1CC[NH+]([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000614166951 844837359 /nfs/dbraw/zinc/83/73/59/844837359.db2.gz PSLZAXMHYMBOHE-HXUWFJFHSA-N 1 2 390.314 3.716 20 30 GHEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC001167497517 844882980 /nfs/dbraw/zinc/88/29/80/844882980.db2.gz ZWIJIAOATDTRKB-DLBZAZTESA-N 1 2 396.922 3.917 20 30 GHEDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502549348 846188715 /nfs/dbraw/zinc/18/87/15/846188715.db2.gz WPOXLXSMPBKGKL-HNNXBMFYSA-N 1 2 376.416 3.583 20 30 GHEDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502549348 846188719 /nfs/dbraw/zinc/18/87/19/846188719.db2.gz WPOXLXSMPBKGKL-HNNXBMFYSA-N 1 2 376.416 3.583 20 30 GHEDLO N#CCC[C@H](C#N)C[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000566232106 846374364 /nfs/dbraw/zinc/37/43/64/846374364.db2.gz YSVRWLKLWQQPRT-YGRLFVJLSA-N 1 2 390.203 3.534 20 30 GHEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000419617714 846686970 /nfs/dbraw/zinc/68/69/70/846686970.db2.gz VRAHUMJMEDVPMV-HXUWFJFHSA-N 1 2 380.517 3.525 20 30 GHEDLO N#CC1(NC(=O)C[NH2+][C@@H](c2cccc(Cl)c2)c2ccccn2)CCCCC1 ZINC000152381835 846828992 /nfs/dbraw/zinc/82/89/92/846828992.db2.gz TVORARVOVLMXBE-FQEVSTJZSA-N 1 2 382.895 3.757 20 30 GHEDLO Cc1nc(SCC(=O)Nc2ccccc2-n2cc[nH+]c2)c(C#N)c(C)c1C ZINC000126337590 847075703 /nfs/dbraw/zinc/07/57/03/847075703.db2.gz QHHLQMISBSDFBF-UHFFFAOYSA-N 1 2 377.473 3.795 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCCc4ccc(F)cc43)CC2)cc1 ZINC000475007012 861781635 /nfs/dbraw/zinc/78/16/35/861781635.db2.gz OIWNLQCMPSGXOG-JOCHJYFZSA-N 1 2 392.478 3.602 20 30 GHEDLO Cc1nn(C)c2cc(NC(=O)N3CCC(c4[nH+]cc5n4CCCC5)CC3)ccc12 ZINC000329625685 861815942 /nfs/dbraw/zinc/81/59/42/861815942.db2.gz OOKXMZZEWXZCFI-UHFFFAOYSA-N 1 2 392.507 3.840 20 30 GHEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)Nc3ccnn3C3CCCC3)CC2)cc1 ZINC000502526453 847967027 /nfs/dbraw/zinc/96/70/27/847967027.db2.gz BMMPWXNYNORWRO-UHFFFAOYSA-N 1 2 375.476 3.598 20 30 GHEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)Nc3ccnn3C3CCCC3)CC2)cc1 ZINC000502526453 847967032 /nfs/dbraw/zinc/96/70/32/847967032.db2.gz BMMPWXNYNORWRO-UHFFFAOYSA-N 1 2 375.476 3.598 20 30 GHEDLO COc1cccc2sc(NC(=O)C[N@H+](C)Cc3ccc4c(c3)OCO4)nc21 ZINC000051828932 847978420 /nfs/dbraw/zinc/97/84/20/847978420.db2.gz LDAPUJZHHWASIP-UHFFFAOYSA-N 1 2 385.445 3.754 20 30 GHEDLO COc1cccc2sc(NC(=O)C[N@@H+](C)Cc3ccc4c(c3)OCO4)nc21 ZINC000051828932 847978429 /nfs/dbraw/zinc/97/84/29/847978429.db2.gz LDAPUJZHHWASIP-UHFFFAOYSA-N 1 2 385.445 3.754 20 30 GHEDLO COc1cc(Br)c(C[NH2+]Cc2ccc(C#N)cc2F)c(OC)c1 ZINC000178857726 849641595 /nfs/dbraw/zinc/64/15/95/849641595.db2.gz SVBWCYUSIVVEKE-UHFFFAOYSA-N 1 2 379.229 3.767 20 30 GHEDLO CCCCOc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000017843458 850299172 /nfs/dbraw/zinc/29/91/72/850299172.db2.gz HSGPOIZZDJOEAX-UHFFFAOYSA-N 1 2 377.488 3.695 20 30 GHEDLO C=CCn1cc(C[NH2+][C@H](c2ccc(OC)cc2Br)C(C)C)nn1 ZINC000424295092 850339888 /nfs/dbraw/zinc/33/98/88/850339888.db2.gz MEDLBXOFHKDZMX-KRWDZBQOSA-N 1 2 379.302 3.722 20 30 GHEDLO CCCc1c(NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)cnn1-c1cccc(C#N)c1 ZINC000440074464 850745008 /nfs/dbraw/zinc/74/50/08/850745008.db2.gz RLDTTXUMCGGCSV-HSZRJFAPSA-N 1 2 399.498 3.909 20 30 GHEDLO CCCc1c(NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)cnn1-c1cccc(C#N)c1 ZINC000440074464 850745014 /nfs/dbraw/zinc/74/50/14/850745014.db2.gz RLDTTXUMCGGCSV-HSZRJFAPSA-N 1 2 399.498 3.909 20 30 GHEDLO CC[C@@H]1C[N@H+](CCNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CCO1 ZINC000488344734 851427538 /nfs/dbraw/zinc/42/75/38/851427538.db2.gz IHTCKABZKCNYMT-LJQANCHMSA-N 1 2 394.475 3.583 20 30 GHEDLO CC[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CCO1 ZINC000488344734 851427547 /nfs/dbraw/zinc/42/75/47/851427547.db2.gz IHTCKABZKCNYMT-LJQANCHMSA-N 1 2 394.475 3.583 20 30 GHEDLO CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000505828855 851964841 /nfs/dbraw/zinc/96/48/41/851964841.db2.gz YPHFNCNGTIRSDV-YADHBBJMSA-N 1 2 391.515 3.566 20 30 GHEDLO CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000505828855 851964847 /nfs/dbraw/zinc/96/48/47/851964847.db2.gz YPHFNCNGTIRSDV-YADHBBJMSA-N 1 2 391.515 3.566 20 30 GHEDLO CN(C(=O)CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)C1CCCCC1 ZINC000329773019 862314302 /nfs/dbraw/zinc/31/43/02/862314302.db2.gz LEOSRVVCVAWBFC-LJQANCHMSA-N 1 2 375.488 3.538 20 30 GHEDLO CN(C(=O)CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1)C1CCCCC1 ZINC000329773019 862314320 /nfs/dbraw/zinc/31/43/20/862314320.db2.gz LEOSRVVCVAWBFC-LJQANCHMSA-N 1 2 375.488 3.538 20 30 GHEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000329776483 862315045 /nfs/dbraw/zinc/31/50/45/862315045.db2.gz JYKCXXBUROQEDX-BPAFIMBUSA-N 1 2 386.492 3.858 20 30 GHEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000329776483 862315062 /nfs/dbraw/zinc/31/50/62/862315062.db2.gz JYKCXXBUROQEDX-BPAFIMBUSA-N 1 2 386.492 3.858 20 30 GHEDLO CCc1ccc([C@H](C)NC(=O)[C@@H](C)[NH+]2CCN(c3ccccc3C#N)CC2)cc1 ZINC000507298458 852760824 /nfs/dbraw/zinc/76/08/24/852760824.db2.gz TYKDQHUIZYKQBW-RBUKOAKNSA-N 1 2 390.531 3.509 20 30 GHEDLO C[C@@H]1CCCN(C(=O)C[N@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C1 ZINC000438729530 852767751 /nfs/dbraw/zinc/76/77/51/852767751.db2.gz BHAPLRWMTUBOSW-GOSISDBHSA-N 1 2 379.479 3.958 20 30 GHEDLO C[C@@H]1CCCN(C(=O)C[N@@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C1 ZINC000438729530 852767759 /nfs/dbraw/zinc/76/77/59/852767759.db2.gz BHAPLRWMTUBOSW-GOSISDBHSA-N 1 2 379.479 3.958 20 30 GHEDLO CSc1cc2c(cc1[NH+]=C([O-])N1CC[C@H](C)[C@H](n3cc[nH+]c3)C1)OCCO2 ZINC000329896425 862405230 /nfs/dbraw/zinc/40/52/30/862405230.db2.gz KXHQMPMVSDLDJT-DZGCQCFKSA-N 1 2 388.493 3.505 20 30 GHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCCc2cccc(C#N)c2)c(C)c1 ZINC000516780968 852992810 /nfs/dbraw/zinc/99/28/10/852992810.db2.gz PJWCYVMOPLVYJR-QFIPXVFZSA-N 1 2 387.487 3.655 20 30 GHEDLO C#CCOc1ccc(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000151406833 853393796 /nfs/dbraw/zinc/39/37/96/853393796.db2.gz BKOHJVQNNSLZTC-ROUUACIJSA-N 1 2 378.472 3.560 20 30 GHEDLO N#Cc1ccc(C[NH2+]Cc2ncc(I)s2)cc1Cl ZINC000586779271 853542202 /nfs/dbraw/zinc/54/22/02/853542202.db2.gz SKMWRKITXGNMGM-UHFFFAOYSA-N 1 2 389.649 3.563 20 30 GHEDLO C=CC[C@@H]1CCN(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)C1 ZINC000623882104 862482565 /nfs/dbraw/zinc/48/25/65/862482565.db2.gz KISYDMYYCMBEDU-CQSZACIVSA-N 1 2 391.313 3.555 20 30 GHEDLO C=CCC[C@H](NC(=O)N[C@@H](C)C[NH+]1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000440810045 853654790 /nfs/dbraw/zinc/65/47/90/853654790.db2.gz QALWAJWGTXBGOL-YJBOKZPZSA-N 1 2 399.457 3.733 20 30 GHEDLO N#CCc1ccc(CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1 ZINC000571161132 853775408 /nfs/dbraw/zinc/77/54/08/853775408.db2.gz CORXLGJKZPDSHZ-FCHUYYIVSA-N 1 2 385.471 3.677 20 30 GHEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)C[C@]2(CCOC2)O1 ZINC000330071283 862552734 /nfs/dbraw/zinc/55/27/34/862552734.db2.gz ISQYFPIMRLWAOO-OAOOKAIFSA-N 1 2 386.536 3.853 20 30 GHEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)C[C@]2(CCOC2)O1 ZINC000330071283 862552737 /nfs/dbraw/zinc/55/27/37/862552737.db2.gz ISQYFPIMRLWAOO-OAOOKAIFSA-N 1 2 386.536 3.853 20 30 GHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]3COCCN3C3CCCC3)n2)C1 ZINC000330077635 862557615 /nfs/dbraw/zinc/55/76/15/862557615.db2.gz HPMZOBINCSYHEO-MAUKXSAKSA-N 1 2 392.569 3.606 20 30 GHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]3COCCN3C3CCCC3)n2)C1 ZINC000330077635 862557627 /nfs/dbraw/zinc/55/76/27/862557627.db2.gz HPMZOBINCSYHEO-MAUKXSAKSA-N 1 2 392.569 3.606 20 30 GHEDLO N#C[C@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)c1ccc(Cl)cc1 ZINC000159383376 862593412 /nfs/dbraw/zinc/59/34/12/862593412.db2.gz BDNWTFQUOKBPIN-RBUKOAKNSA-N 1 2 385.920 3.811 20 30 GHEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3c(Cl)cccc3OC(F)F)C2)nc1 ZINC000590052896 855265578 /nfs/dbraw/zinc/26/55/78/855265578.db2.gz CDWZAXJHPKQQEX-CYBMUJFWSA-N 1 2 379.794 3.861 20 30 GHEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3c(Cl)cccc3OC(F)F)C2)nc1 ZINC000590052896 855265585 /nfs/dbraw/zinc/26/55/85/855265585.db2.gz CDWZAXJHPKQQEX-CYBMUJFWSA-N 1 2 379.794 3.861 20 30 GHEDLO Cc1cccc(OCCCCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000057383356 855374414 /nfs/dbraw/zinc/37/44/14/855374414.db2.gz QFJYFAOROZFUGZ-UHFFFAOYSA-N 1 2 391.515 3.760 20 30 GHEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)c(C)c1 ZINC000441493393 855410203 /nfs/dbraw/zinc/41/02/03/855410203.db2.gz SVVBTKGDDBQMCE-XMSQKQJNSA-N 1 2 388.471 3.697 20 30 GHEDLO N#C[C@@]1(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)CC12CCCC2 ZINC000590618369 855511824 /nfs/dbraw/zinc/51/18/24/855511824.db2.gz VWQTVKYOBCBCRX-HXUWFJFHSA-N 1 2 391.437 3.824 20 30 GHEDLO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000330257601 862699085 /nfs/dbraw/zinc/69/90/85/862699085.db2.gz LQXDPDRUMYLIQC-WLRLJWMZSA-N 1 2 382.508 3.676 20 30 GHEDLO CCOc1ccc(C#N)cc1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000056649571 855617742 /nfs/dbraw/zinc/61/77/42/855617742.db2.gz JIVZLUACWCKERF-UHFFFAOYSA-N 1 2 375.432 3.523 20 30 GHEDLO CC[C@@H](Nc1snc(Cl)c1C#N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000301692856 855743421 /nfs/dbraw/zinc/74/34/21/855743421.db2.gz ZJMJIPXUJIZAAQ-CVEARBPZSA-N 1 2 376.913 3.760 20 30 GHEDLO CC[C@@H](Nc1snc(Cl)c1C#N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000301692856 855743424 /nfs/dbraw/zinc/74/34/24/855743424.db2.gz ZJMJIPXUJIZAAQ-CVEARBPZSA-N 1 2 376.913 3.760 20 30 GHEDLO C[C@@H]1CCCC[C@H]1OCC[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000108182404 855747795 /nfs/dbraw/zinc/74/77/95/855747795.db2.gz UBIAYKFCACCYAE-SJLPKXTDSA-N 1 2 384.480 3.524 20 30 GHEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)CSc3ccc(C#N)cc3)CC2)c1 ZINC000171586363 856196002 /nfs/dbraw/zinc/19/60/02/856196002.db2.gz YFMAVRAPCQMQMW-QGZVFWFLSA-N 1 2 395.528 3.564 20 30 GHEDLO C=CCCn1cc(C[NH+]2CCC(Cc3nc(C4CCCCC4)no3)CC2)nn1 ZINC000625661610 862772144 /nfs/dbraw/zinc/77/21/44/862772144.db2.gz ARHPKUXBIWNDJQ-UHFFFAOYSA-N 1 2 384.528 3.740 20 30 GHEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000159551355 862819252 /nfs/dbraw/zinc/81/92/52/862819252.db2.gz POPVOCORBJAIFN-UHFFFAOYSA-N 1 2 393.409 3.776 20 30 GHEDLO C[C@H](C[NH+]1CCOCC1)N(Cc1cn2ccccc2c1C#N)Cc1ccccc1 ZINC000111056943 856760810 /nfs/dbraw/zinc/76/08/10/856760810.db2.gz XLBDANROUKZBJU-HXUWFJFHSA-N 1 2 388.515 3.534 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)Nc2cccc(C#N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000592267972 857014793 /nfs/dbraw/zinc/01/47/93/857014793.db2.gz KDWWDOWARCGWLV-FUHWJXTLSA-N 1 2 387.846 3.703 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)Nc2cccc(C#N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000592267972 857014806 /nfs/dbraw/zinc/01/48/06/857014806.db2.gz KDWWDOWARCGWLV-FUHWJXTLSA-N 1 2 387.846 3.703 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)c1 ZINC000488989926 857122049 /nfs/dbraw/zinc/12/20/49/857122049.db2.gz FRMLOBPPKPGYDF-OAHLLOKOSA-N 1 2 390.256 3.898 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)c1 ZINC000488989926 857122053 /nfs/dbraw/zinc/12/20/53/857122053.db2.gz FRMLOBPPKPGYDF-OAHLLOKOSA-N 1 2 390.256 3.898 20 30 GHEDLO N#Cc1ccc(NC(=O)NCCCCNc2cccc[nH+]2)cc1C(F)(F)F ZINC000174089364 857207636 /nfs/dbraw/zinc/20/76/36/857207636.db2.gz METLVFSCAAADBP-UHFFFAOYSA-N 1 2 377.370 3.986 20 30 GHEDLO COc1cccc(F)c1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000174221630 857228340 /nfs/dbraw/zinc/22/83/40/857228340.db2.gz LFYCYFCXLPFXAY-RYUDHWBXSA-N 1 2 387.480 3.934 20 30 GHEDLO CC[N@@H+]1CC[C@@H](NC(=O)NCC2(C#N)CCCC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000593392746 857565901 /nfs/dbraw/zinc/56/59/01/857565901.db2.gz ZZSYUEWKFLVXKB-AEFFLSMTSA-N 1 2 394.441 3.622 20 30 GHEDLO CC[N@H+]1CC[C@@H](NC(=O)NCC2(C#N)CCCC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000593392746 857565909 /nfs/dbraw/zinc/56/59/09/857565909.db2.gz ZZSYUEWKFLVXKB-AEFFLSMTSA-N 1 2 394.441 3.622 20 30 GHEDLO C[C@@H]([NH2+][C@@H](Cc1ccccc1)c1ncco1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000594053390 857856245 /nfs/dbraw/zinc/85/62/45/857856245.db2.gz AGPKDDRUKMUUBE-GZRZCRQQSA-N 1 2 394.519 3.867 20 30 GHEDLO C=CCC[C@@H](NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1)c1ccccc1 ZINC000443017009 858296524 /nfs/dbraw/zinc/29/65/24/858296524.db2.gz KGQVDUJTIKUIDG-HXUWFJFHSA-N 1 2 381.501 3.917 20 30 GHEDLO Cc1cc(C)cc(C[C@H](C)NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000466146506 858470099 /nfs/dbraw/zinc/47/00/99/858470099.db2.gz OMKGZNKICIRVCX-FQEVSTJZSA-N 1 2 390.531 3.634 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367058718 858549420 /nfs/dbraw/zinc/54/94/20/858549420.db2.gz WWUMZWQHFVBESR-GOSISDBHSA-N 1 2 394.544 3.604 20 30 GHEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)c1nccc(C)c1C#N ZINC000543137936 858569100 /nfs/dbraw/zinc/56/91/00/858569100.db2.gz YTQUWXUOECRZJF-UHFFFAOYSA-N 1 2 375.476 3.954 20 30 GHEDLO C=CCOc1ccccc1CNC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000522073283 858592758 /nfs/dbraw/zinc/59/27/58/858592758.db2.gz BZDZHGOBHBVOPO-GOSISDBHSA-N 1 2 395.503 3.966 20 30 GHEDLO N#Cc1cnc2c(F)c(F)c(F)cc2c1NCc1ccccc1-n1cc[nH+]c1 ZINC000439154942 858593979 /nfs/dbraw/zinc/59/39/79/858593979.db2.gz AJSYJOJTUKGUTI-UHFFFAOYSA-N 1 2 379.345 3.743 20 30 GHEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)C1 ZINC000595608991 858629870 /nfs/dbraw/zinc/62/98/70/858629870.db2.gz DLXIBLPFMXPFLK-RDJZCZTQSA-N 1 2 382.489 3.644 20 30 GHEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)C1 ZINC000595608991 858629875 /nfs/dbraw/zinc/62/98/75/858629875.db2.gz DLXIBLPFMXPFLK-RDJZCZTQSA-N 1 2 382.489 3.644 20 30 GHEDLO C=CCn1c([C@@H](C)CC)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000508824106 858655823 /nfs/dbraw/zinc/65/58/23/858655823.db2.gz HBQDDNGCNAFTHV-INIZCTEOSA-N 1 2 383.544 3.526 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000613211895 858768240 /nfs/dbraw/zinc/76/82/40/858768240.db2.gz NNCBELCGICEMJM-KRWDZBQOSA-N 1 2 382.533 3.881 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000613211895 858768245 /nfs/dbraw/zinc/76/82/45/858768245.db2.gz NNCBELCGICEMJM-KRWDZBQOSA-N 1 2 382.533 3.881 20 30 GHEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000494260974 881379302 /nfs/dbraw/zinc/37/93/02/881379302.db2.gz AZJZQLWPMHPWDP-LSBZLQRGSA-N 1 2 380.891 3.713 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000193199080 859145191 /nfs/dbraw/zinc/14/51/91/859145191.db2.gz IGHBFWUZWFJIPU-GJZGRUSLSA-N 1 2 383.414 3.605 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000193199080 859145199 /nfs/dbraw/zinc/14/51/99/859145199.db2.gz IGHBFWUZWFJIPU-GJZGRUSLSA-N 1 2 383.414 3.605 20 30 GHEDLO Cc1ccccc1-c1noc([C@@H](C)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000466711237 859246091 /nfs/dbraw/zinc/24/60/91/859246091.db2.gz AYQDYSIFXFVIOF-GOSISDBHSA-N 1 2 387.487 3.796 20 30 GHEDLO C=C[C@](C)(CCOC)C(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000474155247 859354710 /nfs/dbraw/zinc/35/47/10/859354710.db2.gz QTZPSNNRKSJSIG-CMKODMSKSA-N 1 2 382.907 3.959 20 30 GHEDLO C=C[C@](C)(CCOC)C(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000474155247 859354720 /nfs/dbraw/zinc/35/47/20/859354720.db2.gz QTZPSNNRKSJSIG-CMKODMSKSA-N 1 2 382.907 3.959 20 30 GHEDLO CCCCOc1ccc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 ZINC000611259922 859670445 /nfs/dbraw/zinc/67/04/45/859670445.db2.gz GNIDJSQZMUDPFT-UHFFFAOYSA-N 1 2 380.492 3.925 20 30 GHEDLO Cc1cc(C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000611432359 859753947 /nfs/dbraw/zinc/75/39/47/859753947.db2.gz VIWBQWWDTPWVJF-FQEVSTJZSA-N 1 2 383.927 3.771 20 30 GHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c1=S ZINC000765084382 859772564 /nfs/dbraw/zinc/77/25/64/859772564.db2.gz ZCNCWXGZAJRMCR-QZTJIDSGSA-N 1 2 385.537 3.511 20 30 GHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+]2CCC[C@@H]3COCC[C@H]32)c1=S ZINC000765084382 859772571 /nfs/dbraw/zinc/77/25/71/859772571.db2.gz ZCNCWXGZAJRMCR-QZTJIDSGSA-N 1 2 385.537 3.511 20 30 GHEDLO CC(C)C[C@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)n1cc[nH+]c1 ZINC000602139163 859802751 /nfs/dbraw/zinc/80/27/51/859802751.db2.gz HAARNCAXOCXFQL-HXUWFJFHSA-N 1 2 393.491 3.692 20 30 GHEDLO N#Cc1ccccc1COc1ccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000161303083 859819755 /nfs/dbraw/zinc/81/97/55/859819755.db2.gz XCJGWGMXGFUTMT-OAQYLSRUSA-N 1 2 398.466 3.541 20 30 GHEDLO Cc1cc(N2CCN(C(=O)C[C@H](CC#N)c3ccccc3)CC2)nc(C(C)C)[nH+]1 ZINC000474426450 860062521 /nfs/dbraw/zinc/06/25/21/860062521.db2.gz KTFKCQGVLPYDMB-FQEVSTJZSA-N 1 2 391.519 3.645 20 30 GHEDLO Cc1cc(N2CCN(C(=O)C[C@@H](CC#N)c3ccccc3)CC2)nc(C(C)C)[nH+]1 ZINC000474426451 860062833 /nfs/dbraw/zinc/06/28/33/860062833.db2.gz KTFKCQGVLPYDMB-HXUWFJFHSA-N 1 2 391.519 3.645 20 30 GHEDLO C=CC[N@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)Cc1cccs1 ZINC000060942818 860381448 /nfs/dbraw/zinc/38/14/48/860381448.db2.gz NKZLTHYIDFNOEH-LJQANCHMSA-N 1 2 398.528 3.871 20 30 GHEDLO C=CC[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)Cc1cccs1 ZINC000060942818 860381451 /nfs/dbraw/zinc/38/14/51/860381451.db2.gz NKZLTHYIDFNOEH-LJQANCHMSA-N 1 2 398.528 3.871 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000125720273 860757806 /nfs/dbraw/zinc/75/78/06/860757806.db2.gz WVJOKVBBLANPHN-UHFFFAOYSA-N 1 2 397.906 3.874 20 30 GHEDLO CC(C)(C#N)c1ccc(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000603657702 860989325 /nfs/dbraw/zinc/98/93/25/860989325.db2.gz DZWMOHWXRIBSPQ-NRFANRHFSA-N 1 2 392.503 3.510 20 30 GHEDLO CC(C)(C#N)c1ccc(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000603657702 860989332 /nfs/dbraw/zinc/98/93/32/860989332.db2.gz DZWMOHWXRIBSPQ-NRFANRHFSA-N 1 2 392.503 3.510 20 30 GHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC000730284404 860992365 /nfs/dbraw/zinc/99/23/65/860992365.db2.gz LBLIWXVWWFZAAO-FQEVSTJZSA-N 1 2 393.874 3.827 20 30 GHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC000730284404 860992372 /nfs/dbraw/zinc/99/23/72/860992372.db2.gz LBLIWXVWWFZAAO-FQEVSTJZSA-N 1 2 393.874 3.827 20 30 GHEDLO Fc1cccc(C[NH2+]Cc2nccn2CC(F)(F)F)c1OCC(F)(F)F ZINC000623399772 861002681 /nfs/dbraw/zinc/00/26/81/861002681.db2.gz ZKHMBIUPXOKTHC-UHFFFAOYSA-N 1 2 385.283 3.815 20 30 GHEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H]2CCCc3nn(C)cc32)C[C@@H](C)O1 ZINC000329232842 861178759 /nfs/dbraw/zinc/17/87/59/861178759.db2.gz GJUWXGVLOVJVBA-JFIYKMOQSA-N 1 2 382.508 3.737 20 30 GHEDLO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000609206860 881702007 /nfs/dbraw/zinc/70/20/07/881702007.db2.gz JCWXXSRVDFKXAX-QGZVFWFLSA-N 1 2 394.475 3.501 20 30 GHEDLO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000609206860 881702018 /nfs/dbraw/zinc/70/20/18/881702018.db2.gz JCWXXSRVDFKXAX-QGZVFWFLSA-N 1 2 394.475 3.501 20 30 GHEDLO Cn1cc(C[NH+]2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c(Cl)n1 ZINC000897053619 864369864 /nfs/dbraw/zinc/36/98/64/864369864.db2.gz CNCBRKCIVYVCJM-YUMQZZPRSA-N 1 2 397.697 3.676 20 30 GHEDLO CCn1nccc1C[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000897054513 864371124 /nfs/dbraw/zinc/37/11/24/864371124.db2.gz ICICNIUKBGEVGT-NXEZZACHSA-N 1 2 377.279 3.506 20 30 GHEDLO CCCCc1noc(CO[NH+]=C(N)c2ccc(OCc3ccccc3)cc2)n1 ZINC000736299909 865180617 /nfs/dbraw/zinc/18/06/17/865180617.db2.gz UCSMKYCFOXDLBA-UHFFFAOYSA-N 1 2 380.448 3.828 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)N2Cc3ccc(C#N)cc3C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000594234339 865500765 /nfs/dbraw/zinc/50/07/65/865500765.db2.gz VWEORDNCCGRQNB-WOJBJXKFSA-N 1 2 398.869 3.821 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)N2Cc3ccc(C#N)cc3C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000594234339 865500777 /nfs/dbraw/zinc/50/07/77/865500777.db2.gz VWEORDNCCGRQNB-WOJBJXKFSA-N 1 2 398.869 3.821 20 30 GHEDLO C=CC[N@H+](CC(=O)Nc1ccccc1OC(F)F)Cc1ccc(OC)cc1 ZINC000054271892 865581199 /nfs/dbraw/zinc/58/11/99/865581199.db2.gz VEEZLXJTIIZFLF-UHFFFAOYSA-N 1 2 376.403 3.923 20 30 GHEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1OC(F)F)Cc1ccc(OC)cc1 ZINC000054271892 865581208 /nfs/dbraw/zinc/58/12/08/865581208.db2.gz VEEZLXJTIIZFLF-UHFFFAOYSA-N 1 2 376.403 3.923 20 30 GHEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000739903750 865825328 /nfs/dbraw/zinc/82/53/28/865825328.db2.gz MUCMPSZSLIMXIS-QFIPXVFZSA-N 1 2 378.472 3.823 20 30 GHEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000739915907 865828221 /nfs/dbraw/zinc/82/82/21/865828221.db2.gz UESISOWQGVXJIF-HSZRJFAPSA-N 1 2 389.499 3.547 20 30 GHEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+](C)CCc1ccc(Br)cc1 ZINC000739915515 865828323 /nfs/dbraw/zinc/82/83/23/865828323.db2.gz QCMAWRDFJLZCNT-GOSISDBHSA-N 1 2 387.277 3.709 20 30 GHEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CCc1ccc(Br)cc1 ZINC000739915515 865828335 /nfs/dbraw/zinc/82/83/35/865828335.db2.gz QCMAWRDFJLZCNT-GOSISDBHSA-N 1 2 387.277 3.709 20 30 GHEDLO C#CCOc1ccccc1NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282005017 866120219 /nfs/dbraw/zinc/12/02/19/866120219.db2.gz IDUVGCTZZACSPT-KRWDZBQOSA-N 1 2 378.476 3.643 20 30 GHEDLO C=CCn1c(CC(C)(C)C)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000508497075 866485720 /nfs/dbraw/zinc/48/57/20/866485720.db2.gz IVFLOWRARFZVHZ-UHFFFAOYSA-N 1 2 397.571 3.601 20 30 GHEDLO COC(=O)c1cccc(C[N@H+](C)Cc2ccc(OC(F)F)c(OC)c2)c1C#N ZINC000534490715 866914762 /nfs/dbraw/zinc/91/47/62/866914762.db2.gz LJYBTKHAOBXIIC-UHFFFAOYSA-N 1 2 390.386 3.587 20 30 GHEDLO COC(=O)c1cccc(C[N@@H+](C)Cc2ccc(OC(F)F)c(OC)c2)c1C#N ZINC000534490715 866914776 /nfs/dbraw/zinc/91/47/76/866914776.db2.gz LJYBTKHAOBXIIC-UHFFFAOYSA-N 1 2 390.386 3.587 20 30 GHEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3cccc(CC#N)c3)CC2)c1 ZINC000455922465 867248243 /nfs/dbraw/zinc/24/82/43/867248243.db2.gz QVSTWONKBZYEQJ-QGZVFWFLSA-N 1 2 378.476 3.672 20 30 GHEDLO C=CC[C@@H]1N(C(=O)NCc2ccccc2C[NH+]2CCOCC2)CCCC1(C)C ZINC000444875182 867375757 /nfs/dbraw/zinc/37/57/57/867375757.db2.gz PDWPYEWWABAASF-NRFANRHFSA-N 1 2 385.552 3.795 20 30 GHEDLO CC[C@H](NC(=O)CO[NH+]=C(N)c1ccc(F)c(C)c1)c1ccc(Cl)cc1 ZINC000920401321 882080246 /nfs/dbraw/zinc/08/02/46/882080246.db2.gz PDXBKNHVTGASMK-KRWDZBQOSA-N 1 2 377.847 3.692 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](CN3C(=O)C[C@H]3c3ccc(Cl)cc3)CC2)cc1 ZINC000743361947 868112495 /nfs/dbraw/zinc/11/24/95/868112495.db2.gz BBQRMBOOKQUHPD-NRFANRHFSA-N 1 2 395.890 3.986 20 30 GHEDLO C#CC[N@@H+](CC(=O)N(C)c1nc2ccccc2s1)[C@@H]1CCc2ccccc21 ZINC000744388008 868804336 /nfs/dbraw/zinc/80/43/36/868804336.db2.gz ILRUQMHILCLXMX-LJQANCHMSA-N 1 2 375.497 3.882 20 30 GHEDLO C#CC[N@H+](CC(=O)N(C)c1nc2ccccc2s1)[C@@H]1CCc2ccccc21 ZINC000744388008 868804350 /nfs/dbraw/zinc/80/43/50/868804350.db2.gz ILRUQMHILCLXMX-LJQANCHMSA-N 1 2 375.497 3.882 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCc3ccc4ccccc4c3O)CC2)cc1 ZINC000448577190 868814789 /nfs/dbraw/zinc/81/47/89/868814789.db2.gz HNACSNALUJJVJZ-UHFFFAOYSA-N 1 2 399.494 3.694 20 30 GHEDLO COCC[N@H+](Cc1c(C(C)C)nc2sc(C)nn21)Cc1ccc(C#N)cc1 ZINC000508541055 868921963 /nfs/dbraw/zinc/92/19/63/868921963.db2.gz JOZMGFLLJAMRCE-UHFFFAOYSA-N 1 2 383.521 3.743 20 30 GHEDLO COCC[N@@H+](Cc1c(C(C)C)nc2sc(C)nn21)Cc1ccc(C#N)cc1 ZINC000508541055 868921974 /nfs/dbraw/zinc/92/19/74/868921974.db2.gz JOZMGFLLJAMRCE-UHFFFAOYSA-N 1 2 383.521 3.743 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@H](C)c2cccc(C#N)c2)[C@H](C)C1 ZINC000462432416 869405126 /nfs/dbraw/zinc/40/51/26/869405126.db2.gz ZTPVZAIIZFPYBZ-RTBURBONSA-N 1 2 391.515 3.793 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@H](C)c2cccc(C#N)c2)[C@H](C)C1 ZINC000462432416 869405138 /nfs/dbraw/zinc/40/51/38/869405138.db2.gz ZTPVZAIIZFPYBZ-RTBURBONSA-N 1 2 391.515 3.793 20 30 GHEDLO CC(C)[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)N[C@]2(C[C@@H](C)CC(C)(C)C2)C1=O ZINC000746033817 869960870 /nfs/dbraw/zinc/96/08/70/869960870.db2.gz UVPLHQHIKIMOCC-SBUREZEXSA-N 1 2 396.535 3.863 20 30 GHEDLO CC(C)[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)N[C@]2(C[C@@H](C)CC(C)(C)C2)C1=O ZINC000746033817 869960874 /nfs/dbraw/zinc/96/08/74/869960874.db2.gz UVPLHQHIKIMOCC-SBUREZEXSA-N 1 2 396.535 3.863 20 30 GHEDLO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cn1nnn(-c2ccccc2)c1=S ZINC000746055774 869984047 /nfs/dbraw/zinc/98/40/47/869984047.db2.gz FJOBXEBRKDPOAB-UHFFFAOYSA-N 1 2 378.505 3.786 20 30 GHEDLO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cn1nnn(-c2ccccc2)c1=S ZINC000746055774 869984055 /nfs/dbraw/zinc/98/40/55/869984055.db2.gz FJOBXEBRKDPOAB-UHFFFAOYSA-N 1 2 378.505 3.786 20 30 GHEDLO CCOC(=O)[C@H](c1ccc(Cl)cc1)[N@H+](CC)C[C@H](O)CC1(C#N)CCC1 ZINC001192525108 870487646 /nfs/dbraw/zinc/48/76/46/870487646.db2.gz IIALQUBXIITOMR-MSOLQXFVSA-N 1 2 378.900 3.711 20 30 GHEDLO CCOC(=O)[C@H](c1ccc(Cl)cc1)[N@@H+](CC)C[C@H](O)CC1(C#N)CCC1 ZINC001192525108 870487654 /nfs/dbraw/zinc/48/76/54/870487654.db2.gz IIALQUBXIITOMR-MSOLQXFVSA-N 1 2 378.900 3.711 20 30 GHEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000491293050 871475537 /nfs/dbraw/zinc/47/55/37/871475537.db2.gz CQQUFLLDMHGDQE-UHFFFAOYSA-N 1 2 390.867 3.764 20 30 GHEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000491293050 871475574 /nfs/dbraw/zinc/47/55/74/871475574.db2.gz CQQUFLLDMHGDQE-UHFFFAOYSA-N 1 2 390.867 3.764 20 30 GHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC001194267766 871602496 /nfs/dbraw/zinc/60/24/96/871602496.db2.gz AZCFTFAEMPZSCG-UHFFFAOYSA-N 1 2 399.491 3.616 20 30 GHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC001194267766 871602507 /nfs/dbraw/zinc/60/25/07/871602507.db2.gz AZCFTFAEMPZSCG-UHFFFAOYSA-N 1 2 399.491 3.616 20 30 GHEDLO C[C@@H](c1cccc(NC(=O)N[C@H]2CCc3cc(C#N)ccc32)c1)[NH+]1CCOCC1 ZINC000618753742 871953084 /nfs/dbraw/zinc/95/30/84/871953084.db2.gz GCDCBGHBHJBQEO-AOMKIAJQSA-N 1 2 390.487 3.760 20 30 GHEDLO CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C[C@@H](C#N)CCC#N)CC1 ZINC000507551612 872400116 /nfs/dbraw/zinc/40/01/16/872400116.db2.gz MQUZZQKAQNIHEP-APWZRJJASA-N 1 2 389.341 3.961 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000552403313 872621242 /nfs/dbraw/zinc/62/12/42/872621242.db2.gz CHYIJJFXBRITJF-PMACEKPBSA-N 1 2 399.416 3.569 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000552403313 872621246 /nfs/dbraw/zinc/62/12/46/872621246.db2.gz CHYIJJFXBRITJF-PMACEKPBSA-N 1 2 399.416 3.569 20 30 GHEDLO CC(C)(C)OC(=O)C1([NH2+]CCC(=O)Nc2cccc(C#N)c2)CCCCCC1 ZINC001195769444 872629563 /nfs/dbraw/zinc/62/95/63/872629563.db2.gz ZQWUMRDYFUXYTQ-UHFFFAOYSA-N 1 2 385.508 3.911 20 30 GHEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1 ZINC000552433085 872638172 /nfs/dbraw/zinc/63/81/72/872638172.db2.gz QXLTYCWHQVXAFJ-OAHLLOKOSA-N 1 2 383.492 3.696 20 30 GHEDLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)N[C@](C)(C#N)C2CC2)ccc1Br ZINC000619532060 872714924 /nfs/dbraw/zinc/71/49/24/872714924.db2.gz QBNRUIVFGHYOSY-IEBWSBKVSA-N 1 2 390.325 3.703 20 30 GHEDLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)N[C@](C)(C#N)C2CC2)ccc1Br ZINC000619532060 872714928 /nfs/dbraw/zinc/71/49/28/872714928.db2.gz QBNRUIVFGHYOSY-IEBWSBKVSA-N 1 2 390.325 3.703 20 30 GHEDLO N#Cc1ccc(CN2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)s1 ZINC000768327493 873237323 /nfs/dbraw/zinc/23/73/23/873237323.db2.gz RXJHSAWLKDZMDU-UHFFFAOYSA-N 1 2 381.423 3.836 20 30 GHEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000768550925 873379393 /nfs/dbraw/zinc/37/93/93/873379393.db2.gz DGFYPOHTHZPFQN-PXNSSMCTSA-N 1 2 395.528 3.987 20 30 GHEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000768550925 873379404 /nfs/dbraw/zinc/37/94/04/873379404.db2.gz DGFYPOHTHZPFQN-PXNSSMCTSA-N 1 2 395.528 3.987 20 30 GHEDLO COc1cccc2cc(C[NH+]3CCN(c4oc(C5CC5)nc4C#N)CC3)oc21 ZINC000768797908 873588835 /nfs/dbraw/zinc/58/88/35/873588835.db2.gz BEKJKAQTIWXCLX-UHFFFAOYSA-N 1 2 378.432 3.501 20 30 GHEDLO C[C@H](C#N)Oc1ccc(C[NH+]2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)cc1 ZINC000153128057 882745418 /nfs/dbraw/zinc/74/54/18/882745418.db2.gz NAWMDRGNMTVEQM-QGZVFWFLSA-N 1 2 397.906 3.518 20 30 GHEDLO N#Cc1ccccc1COc1ccc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000609131214 873782295 /nfs/dbraw/zinc/78/22/95/873782295.db2.gz KLJOBLKYYVECPJ-NRFANRHFSA-N 1 2 386.455 3.811 20 30 GHEDLO CCOC(=O)[C@@]1(F)C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1CC ZINC001197670676 873959358 /nfs/dbraw/zinc/95/93/58/873959358.db2.gz AEVOEWQWCCKDNX-MAUKXSAKSA-N 1 2 387.373 3.550 20 30 GHEDLO CCOC(=O)[C@@]1(F)C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1CC ZINC001197670676 873959368 /nfs/dbraw/zinc/95/93/68/873959368.db2.gz AEVOEWQWCCKDNX-MAUKXSAKSA-N 1 2 387.373 3.550 20 30 GHEDLO COc1cc(Br)c(C[NH2+]Cc2cc(C#N)ccc2F)c(OC)c1 ZINC000769394197 874058174 /nfs/dbraw/zinc/05/81/74/874058174.db2.gz CNLYEOLNDJUZDC-UHFFFAOYSA-N 1 2 379.229 3.767 20 30 GHEDLO CC(=[NH+]Nc1ccnc(Br)c1)c1ccc(N2CCOCC2)cc1 ZINC000769814714 874304409 /nfs/dbraw/zinc/30/44/09/874304409.db2.gz PFBJUVYIUNUPBD-UHFFFAOYSA-N 1 2 375.270 3.517 20 30 GHEDLO N#CC1(C[C@H](O)C[N@@H+]2CCc3c(Cl)ccc(Br)c3C2)CCC1 ZINC001198280326 874322030 /nfs/dbraw/zinc/32/20/30/874322030.db2.gz WAQPVZSPFMKGOB-LBPRGKRZSA-N 1 2 383.717 3.905 20 30 GHEDLO N#CC1(C[C@H](O)C[N@H+]2CCc3c(Cl)ccc(Br)c3C2)CCC1 ZINC001198280326 874322042 /nfs/dbraw/zinc/32/20/42/874322042.db2.gz WAQPVZSPFMKGOB-LBPRGKRZSA-N 1 2 383.717 3.905 20 30 GHEDLO COc1ccc(OCC[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c([N+](=O)[O-])c1 ZINC000464810566 874533359 /nfs/dbraw/zinc/53/33/59/874533359.db2.gz FSBYWWZKYAJOMB-RTBURBONSA-N 1 2 381.432 3.754 20 30 GHEDLO COc1ccc(OCC[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c([N+](=O)[O-])c1 ZINC000464810566 874533370 /nfs/dbraw/zinc/53/33/70/874533370.db2.gz FSBYWWZKYAJOMB-RTBURBONSA-N 1 2 381.432 3.754 20 30 GHEDLO C=C(C)COc1cc(CNc2ccc(-c3cnn(C)c3)c(C)[nH+]2)ccc1OC ZINC000449345959 874739663 /nfs/dbraw/zinc/73/96/63/874739663.db2.gz KLIMGINKLIWCNC-UHFFFAOYSA-N 1 2 378.476 3.788 20 30 GHEDLO C#CCOc1ccccc1NC(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000776090343 875322422 /nfs/dbraw/zinc/32/24/22/875322422.db2.gz WJMPYHZFRZHCIS-SFHVURJKSA-N 1 2 393.487 3.618 20 30 GHEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000120311940 875911287 /nfs/dbraw/zinc/91/12/87/875911287.db2.gz NSAZEAPKFPBNOO-UHFFFAOYSA-N 1 2 379.382 3.944 20 30 GHEDLO CC(C)[C@H]1C[N@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CCS1 ZINC000173862203 876689991 /nfs/dbraw/zinc/68/99/91/876689991.db2.gz QQZIRCJEHBIQSF-MAUKXSAKSA-N 1 2 377.579 3.950 20 30 GHEDLO CC(C)[C@H]1C[N@@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CCS1 ZINC000173862203 876690000 /nfs/dbraw/zinc/69/00/00/876690000.db2.gz QQZIRCJEHBIQSF-MAUKXSAKSA-N 1 2 377.579 3.950 20 30 GHEDLO C[NH+]1CCN(c2ccc(NCc3ccc(C#N)cc3)cc2Br)CC1 ZINC000786836929 876956557 /nfs/dbraw/zinc/95/65/57/876956557.db2.gz PJCJPVQBKQWHRN-UHFFFAOYSA-N 1 2 385.309 3.685 20 30 GHEDLO N#CC1(CC(=O)OC2C[NH+](C(c3ccccc3)c3ccccc3)C2)CCOCC1 ZINC000850877112 877252973 /nfs/dbraw/zinc/25/29/73/877252973.db2.gz AECMEWAGOXCGER-UHFFFAOYSA-N 1 2 390.483 3.714 20 30 GHEDLO Cc1cc(C[NH2+]Cc2csc(CNC(=O)c3ccccc3)n2)ccc1C#N ZINC000444000573 877488082 /nfs/dbraw/zinc/48/80/82/877488082.db2.gz HMDJSAPVRGVQJF-UHFFFAOYSA-N 1 2 376.485 3.543 20 30 GHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H](CO)c2ccc(Cl)cc2)c1C ZINC000451322215 877775567 /nfs/dbraw/zinc/77/55/67/877775567.db2.gz FMISCGSNTYWZCN-NRFANRHFSA-N 1 2 399.922 3.869 20 30 GHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H](CO)c2ccc(Cl)cc2)c1C ZINC000451322215 877775588 /nfs/dbraw/zinc/77/55/88/877775588.db2.gz FMISCGSNTYWZCN-NRFANRHFSA-N 1 2 399.922 3.869 20 30 GHEDLO CCO[C@@H]1CC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1C ZINC000451542210 878109154 /nfs/dbraw/zinc/10/91/54/878109154.db2.gz MZCFJOZTLKZLGA-WMLDXEAASA-N 1 2 375.538 3.574 20 30 GHEDLO CCO[C@@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1C ZINC000451542210 878109163 /nfs/dbraw/zinc/10/91/63/878109163.db2.gz MZCFJOZTLKZLGA-WMLDXEAASA-N 1 2 375.538 3.574 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCOC(C3CC3)(C3CC3)C2)cc1 ZINC000852651589 878497206 /nfs/dbraw/zinc/49/72/06/878497206.db2.gz OWUBCZDIJFTLNK-SFHVURJKSA-N 1 2 381.520 3.521 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCOC(C3CC3)(C3CC3)C2)cc1 ZINC000852651589 878497218 /nfs/dbraw/zinc/49/72/18/878497218.db2.gz OWUBCZDIJFTLNK-SFHVURJKSA-N 1 2 381.520 3.521 20 30 GHEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000616132566 878562198 /nfs/dbraw/zinc/56/21/98/878562198.db2.gz OZMIABUEXPKTKO-RBUKOAKNSA-N 1 2 394.494 3.672 20 30 GHEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000616132566 878562221 /nfs/dbraw/zinc/56/22/21/878562221.db2.gz OZMIABUEXPKTKO-RBUKOAKNSA-N 1 2 394.494 3.672 20 30 GHEDLO C=CCCOCCNC(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538041745 878746753 /nfs/dbraw/zinc/74/67/53/878746753.db2.gz NONZPVOVOFAIGF-ROUUACIJSA-N 1 2 383.895 3.506 20 30 GHEDLO C=CCCOCCNC(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538041745 878746764 /nfs/dbraw/zinc/74/67/64/878746764.db2.gz NONZPVOVOFAIGF-ROUUACIJSA-N 1 2 383.895 3.506 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000530962400 878812646 /nfs/dbraw/zinc/81/26/46/878812646.db2.gz AWVIAHLZCIPXBT-NRFANRHFSA-N 1 2 378.476 3.564 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000530962400 878812653 /nfs/dbraw/zinc/81/26/53/878812653.db2.gz AWVIAHLZCIPXBT-NRFANRHFSA-N 1 2 378.476 3.564 20 30 GHEDLO OC1CCN(c2ccc(C=[NH+]Nc3ccccc3OC(F)(F)F)cc2)CC1 ZINC000853335172 878972256 /nfs/dbraw/zinc/97/22/56/878972256.db2.gz KBNFZOHNZSTBBY-UHFFFAOYSA-N 1 2 379.382 3.992 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)ccc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000285754726 912421742 /nfs/dbraw/zinc/42/17/42/912421742.db2.gz IDOPGRVZGQUWCN-ZWKOTPCHSA-N 1 2 375.806 3.665 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)c2cc(C#N)ccc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000285754726 912421744 /nfs/dbraw/zinc/42/17/44/912421744.db2.gz IDOPGRVZGQUWCN-ZWKOTPCHSA-N 1 2 375.806 3.665 20 30 GHEDLO C[N@H+](Cc1ccn(-c2ccccc2)n1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000789729322 879236237 /nfs/dbraw/zinc/23/62/37/879236237.db2.gz TZEZYIDHYLBONG-UHFFFAOYSA-N 1 2 397.486 3.676 20 30 GHEDLO C[N@@H+](Cc1ccn(-c2ccccc2)n1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000789729322 879236252 /nfs/dbraw/zinc/23/62/52/879236252.db2.gz TZEZYIDHYLBONG-UHFFFAOYSA-N 1 2 397.486 3.676 20 30 GHEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)n1 ZINC000789759569 879240196 /nfs/dbraw/zinc/24/01/96/879240196.db2.gz WGGPNTFCYKUETO-UHFFFAOYSA-N 1 2 394.431 3.715 20 30 GHEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)n1 ZINC000789759569 879240211 /nfs/dbraw/zinc/24/02/11/879240211.db2.gz WGGPNTFCYKUETO-UHFFFAOYSA-N 1 2 394.431 3.715 20 30 GHEDLO C[C@@H]([NH2+]Cc1csc(CNC(=O)c2ccccc2)n1)c1cccc(C#N)c1 ZINC000538394676 879414152 /nfs/dbraw/zinc/41/41/52/879414152.db2.gz JZZRSEKXDYHAJY-OAHLLOKOSA-N 1 2 376.485 3.796 20 30 GHEDLO CCCC[C@H](ON=C(C)C)C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC000854412916 879793489 /nfs/dbraw/zinc/79/34/89/879793489.db2.gz WDKBIEWLBRGXBS-SFHVURJKSA-N 1 2 380.558 3.579 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCCN(c3ccccc3C#N)CC2)c1C ZINC000531493679 879966946 /nfs/dbraw/zinc/96/69/46/879966946.db2.gz HPFCUPOIFCCGQV-UHFFFAOYSA-N 1 2 376.504 3.558 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCCN(c3ccccc3C#N)CC2)c1C ZINC000531493679 879966951 /nfs/dbraw/zinc/96/69/51/879966951.db2.gz HPFCUPOIFCCGQV-UHFFFAOYSA-N 1 2 376.504 3.558 20 30 GHEDLO CC1(C)OCc2cc(C[NH+]3CCN([C@H](C#N)c4ccccc4)CC3)ccc2O1 ZINC000186248310 880829358 /nfs/dbraw/zinc/82/93/58/880829358.db2.gz OKBNGRQKVPBITO-OAQYLSRUSA-N 1 2 377.488 3.714 20 30 GHEDLO CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000113972619 881020702 /nfs/dbraw/zinc/02/07/02/881020702.db2.gz GIDDFNDWCABCJG-HXUWFJFHSA-N 1 2 389.459 3.553 20 30 GHEDLO CC(C)(C#N)c1ccc(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC000476925616 883410974 /nfs/dbraw/zinc/41/09/74/883410974.db2.gz KBLCNPPKNKDUGE-UHFFFAOYSA-N 1 2 381.907 3.929 20 30 GHEDLO CC(C)(C#N)c1ccc(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC000476925616 883410979 /nfs/dbraw/zinc/41/09/79/883410979.db2.gz KBLCNPPKNKDUGE-UHFFFAOYSA-N 1 2 381.907 3.929 20 30 GHEDLO COc1cccc([C@@H]2CC(=O)N(C[N@H+]3CC=C(c4ccc(C#N)cc4)CC3)C2)c1 ZINC000760537091 883451171 /nfs/dbraw/zinc/45/11/71/883451171.db2.gz IJBFDLXNFBLBRV-JOCHJYFZSA-N 1 2 387.483 3.630 20 30 GHEDLO COc1cccc([C@@H]2CC(=O)N(C[N@@H+]3CC=C(c4ccc(C#N)cc4)CC3)C2)c1 ZINC000760537091 883451176 /nfs/dbraw/zinc/45/11/76/883451176.db2.gz IJBFDLXNFBLBRV-JOCHJYFZSA-N 1 2 387.483 3.630 20 30 GHEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2nc(C(F)(F)F)ccc2C#N)cc1 ZINC000609668988 883514584 /nfs/dbraw/zinc/51/45/84/883514584.db2.gz KNUBWZQCQLQXLL-KRWDZBQOSA-N 1 2 390.409 3.766 20 30 GHEDLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(F)c(C#N)c1 ZINC000551261540 883569472 /nfs/dbraw/zinc/56/94/72/883569472.db2.gz LCGQBWSDTBTWRB-AOMKIAJQSA-N 1 2 394.494 3.774 20 30 GHEDLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(F)c(C#N)c1 ZINC000551261540 883569487 /nfs/dbraw/zinc/56/94/87/883569487.db2.gz LCGQBWSDTBTWRB-AOMKIAJQSA-N 1 2 394.494 3.774 20 30 GHEDLO C[C@H](CSc1ccc(F)cc1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000494801137 883753939 /nfs/dbraw/zinc/75/39/39/883753939.db2.gz QCMRKHVXEUENIB-QGZVFWFLSA-N 1 2 397.519 3.770 20 30 GHEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@H](O)Cc3ccccc3C(F)(F)F)CCO2)c1 ZINC000761765029 884151120 /nfs/dbraw/zinc/15/11/20/884151120.db2.gz HIHNKHZHCFUUKY-QUCCMNQESA-N 1 2 390.405 3.554 20 30 GHEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@H](O)Cc3ccccc3C(F)(F)F)CCO2)c1 ZINC000761765029 884151123 /nfs/dbraw/zinc/15/11/23/884151123.db2.gz HIHNKHZHCFUUKY-QUCCMNQESA-N 1 2 390.405 3.554 20 30 GHEDLO COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]Cc2nc(C#N)cs2)c1 ZINC000897633176 884220590 /nfs/dbraw/zinc/22/05/90/884220590.db2.gz WTYCCTFTFRAJKZ-UHFFFAOYSA-N 1 2 381.505 3.932 20 30 GHEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C23CC4CC(CC(C4)C2)C3)CC1=O ZINC000914596715 884273097 /nfs/dbraw/zinc/27/30/97/884273097.db2.gz XFHMGNXFZQNHFV-UHFFFAOYSA-N 1 2 376.504 3.615 20 30 GHEDLO C#CC[C@H](Cc1ccccc1)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000806261044 884513151 /nfs/dbraw/zinc/51/31/51/884513151.db2.gz CYKIYSWPHOSRBC-HXUWFJFHSA-N 1 2 388.471 3.718 20 30 GHEDLO O[C@]1(C(F)(F)F)CC[N@H+](Cc2ncc(C(F)(F)F)cc2Cl)CC[C@H]1F ZINC001142539159 884611575 /nfs/dbraw/zinc/61/15/75/884611575.db2.gz VLPSNGKQMLABNV-VXGBXAGGSA-N 1 2 394.718 3.981 20 30 GHEDLO O[C@]1(C(F)(F)F)CC[N@@H+](Cc2ncc(C(F)(F)F)cc2Cl)CC[C@H]1F ZINC001142539159 884611577 /nfs/dbraw/zinc/61/15/77/884611577.db2.gz VLPSNGKQMLABNV-VXGBXAGGSA-N 1 2 394.718 3.981 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3cc(Cl)ccc3Cl)CC2)cc1 ZINC000498583636 884931135 /nfs/dbraw/zinc/93/11/35/884931135.db2.gz MDLLYZANLFTAIE-UHFFFAOYSA-N 1 2 388.298 3.752 20 30 GHEDLO C=CCc1cc(OC)cc(C[NH+]2CCN(c3ccc(C(C)=O)cc3F)CC2)c1O ZINC000153380871 884955066 /nfs/dbraw/zinc/95/50/66/884955066.db2.gz ZIXGZEKKEZFFND-UHFFFAOYSA-N 1 2 398.478 3.793 20 30 GHEDLO C#CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000807046075 885176059 /nfs/dbraw/zinc/17/60/59/885176059.db2.gz OMCLSGBBGQMQSP-RTWAWAEBSA-N 1 2 383.442 3.555 20 30 GHEDLO C#CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000807046075 885176068 /nfs/dbraw/zinc/17/60/68/885176068.db2.gz OMCLSGBBGQMQSP-RTWAWAEBSA-N 1 2 383.442 3.555 20 30 GHEDLO C[N@H+](CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)Cc1cccc(C#N)c1 ZINC000052580690 885343387 /nfs/dbraw/zinc/34/33/87/885343387.db2.gz ZLQQEKXUFJCJPL-UHFFFAOYSA-N 1 2 394.475 3.815 20 30 GHEDLO C[N@@H+](CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)Cc1cccc(C#N)c1 ZINC000052580690 885343405 /nfs/dbraw/zinc/34/34/05/885343405.db2.gz ZLQQEKXUFJCJPL-UHFFFAOYSA-N 1 2 394.475 3.815 20 30 GHEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000532492631 885855954 /nfs/dbraw/zinc/85/59/54/885855954.db2.gz DJTRXEYPMOXTFN-HXUWFJFHSA-N 1 2 389.434 3.659 20 30 GHEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000532492631 885855968 /nfs/dbraw/zinc/85/59/68/885855968.db2.gz DJTRXEYPMOXTFN-HXUWFJFHSA-N 1 2 389.434 3.659 20 30 GHEDLO N#CCOc1cccc(CC(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)c1 ZINC000807988002 885912423 /nfs/dbraw/zinc/91/24/23/885912423.db2.gz JLJRVIFOKWZXDQ-UHFFFAOYSA-N 1 2 386.455 3.970 20 30 GHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH+]2C[C@H](C)S[C@@H](C)C2)c1C#N ZINC000532576464 886156175 /nfs/dbraw/zinc/15/61/75/886156175.db2.gz OZGVJSXTWMHGEJ-HOTGVXAUSA-N 1 2 396.560 3.789 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](Cc3cnc(CCc4ccccc4)s3)CC2)cn1 ZINC000862423463 886364221 /nfs/dbraw/zinc/36/42/21/886364221.db2.gz UNJHYTISWPTMTO-UHFFFAOYSA-N 1 2 389.528 3.517 20 30 GHEDLO C[C@@H](O[NH+]=C(N)c1ccc(CNC(=O)OC(C)(C)C)cc1)c1ccc(C#N)cc1 ZINC000794722512 887933060 /nfs/dbraw/zinc/93/30/60/887933060.db2.gz VNDFOABLORPKGU-OAHLLOKOSA-N 1 2 394.475 3.981 20 30 GHEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000053815072 888251723 /nfs/dbraw/zinc/25/17/23/888251723.db2.gz YMHCSIIDXZUOID-UHFFFAOYSA-N 1 2 379.485 3.736 20 30 GHEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000053815072 888251738 /nfs/dbraw/zinc/25/17/38/888251738.db2.gz YMHCSIIDXZUOID-UHFFFAOYSA-N 1 2 379.485 3.736 20 30 GHEDLO C[C@H](c1nnc(-c2cccs2)o1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000026296468 888456598 /nfs/dbraw/zinc/45/65/98/888456598.db2.gz VUFZFQVJBBVUSZ-OAHLLOKOSA-N 1 2 379.489 3.549 20 30 GHEDLO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1cccc(C#N)c1O ZINC000866266430 888807161 /nfs/dbraw/zinc/80/71/61/888807161.db2.gz IIAPZXBTNRSFSE-CABCVRRESA-N 1 2 383.467 3.776 20 30 GHEDLO Cc1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)c(OCCCC(C)C)c1 ZINC000124382756 889614714 /nfs/dbraw/zinc/61/47/14/889614714.db2.gz WISOHVRDFAIWQK-JOCHJYFZSA-N 1 2 379.504 3.998 20 30 GHEDLO CC(C)COC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000811460162 889619195 /nfs/dbraw/zinc/61/91/95/889619195.db2.gz ZBQWTIJOAGYMLP-UHFFFAOYSA-N 1 2 383.414 3.877 20 30 GHEDLO CC(C)COC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000811460162 889619206 /nfs/dbraw/zinc/61/92/06/889619206.db2.gz ZBQWTIJOAGYMLP-UHFFFAOYSA-N 1 2 383.414 3.877 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCN(C)c2ccccc2C1 ZINC000533414524 890498663 /nfs/dbraw/zinc/49/86/63/890498663.db2.gz IAWQWCGDWJGOLA-QGZVFWFLSA-N 1 2 394.544 3.971 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCN(C)c2ccccc2C1 ZINC000533414524 890498673 /nfs/dbraw/zinc/49/86/73/890498673.db2.gz IAWQWCGDWJGOLA-QGZVFWFLSA-N 1 2 394.544 3.971 20 30 GHEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)CC1 ZINC000533417905 890503719 /nfs/dbraw/zinc/50/37/19/890503719.db2.gz SFXFPGIBXWGENJ-KRWDZBQOSA-N 1 2 393.487 3.927 20 30 GHEDLO S=C1N=NC(c2ccccc2Cl)N1N=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000917025936 890759090 /nfs/dbraw/zinc/75/90/90/890759090.db2.gz JJHGIVXMQPXVLR-UHFFFAOYSA-N 1 2 380.864 3.955 20 30 GHEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CC[C@H](Oc4ccccc4Cl)C3)o2)c1 ZINC000533560300 890846532 /nfs/dbraw/zinc/84/65/32/890846532.db2.gz FHMSGDUBISLSIG-INIZCTEOSA-N 1 2 380.835 3.915 20 30 GHEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CC[C@H](Oc4ccccc4Cl)C3)o2)c1 ZINC000533560300 890846542 /nfs/dbraw/zinc/84/65/42/890846542.db2.gz FHMSGDUBISLSIG-INIZCTEOSA-N 1 2 380.835 3.915 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)[C@H]1CCCc2c1cnn2C ZINC000246300199 890969735 /nfs/dbraw/zinc/96/97/35/890969735.db2.gz PRFFHJWEEWVCCE-QAPCUYQASA-N 1 2 397.548 3.620 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@H]1CCCc2c1cnn2C ZINC000246300199 890969741 /nfs/dbraw/zinc/96/97/41/890969741.db2.gz PRFFHJWEEWVCCE-QAPCUYQASA-N 1 2 397.548 3.620 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)c1C ZINC000066877243 891096843 /nfs/dbraw/zinc/09/68/43/891096843.db2.gz UHYKZWBDFHXJFO-UHFFFAOYSA-N 1 2 385.552 3.635 20 30 GHEDLO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(c2nc3ccccn3c2C#N)CC1 ZINC000611740083 892384704 /nfs/dbraw/zinc/38/47/04/892384704.db2.gz VKVFRXCNCLWNEW-OAHLLOKOSA-N 1 2 388.500 3.699 20 30 GHEDLO C=CCc1ccc(OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(OC)c1 ZINC000875115984 892453847 /nfs/dbraw/zinc/45/38/47/892453847.db2.gz PLLFJSKJNFAYAP-UHFFFAOYSA-N 1 2 379.372 3.737 20 30 GHEDLO C=CC[N@@H+](C)CC(=O)Nc1scc(-c2ccc(OC)cc2)c1C(=O)OCC ZINC000778170493 893032415 /nfs/dbraw/zinc/03/24/15/893032415.db2.gz RVVMKPJUGSQTLW-UHFFFAOYSA-N 1 2 388.489 3.657 20 30 GHEDLO C=CC[N@H+](C)CC(=O)Nc1scc(-c2ccc(OC)cc2)c1C(=O)OCC ZINC000778170493 893032437 /nfs/dbraw/zinc/03/24/37/893032437.db2.gz RVVMKPJUGSQTLW-UHFFFAOYSA-N 1 2 388.489 3.657 20 30 GHEDLO CCOC(=O)n1nc2c(c1Nc1nc3ccccc3cc1CC#N)C[NH2+]C2(C)C ZINC001170756968 893064813 /nfs/dbraw/zinc/06/48/13/893064813.db2.gz QJVXFSKVEVESAV-UHFFFAOYSA-N 1 2 390.447 3.584 20 30 GHEDLO Cc1ccc([C@H]([NH2+]C[C@@H](C#N)CCC#N)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000562994006 893254196 /nfs/dbraw/zinc/25/41/96/893254196.db2.gz SYJMTSAXCUCMEY-XMSQKQJNSA-N 1 2 395.528 3.830 20 30 GHEDLO CCc1ccc(C[NH+]2CCN(C(=O)Nc3cnc(C#N)c(Cl)c3)CC2)s1 ZINC000455787113 893273673 /nfs/dbraw/zinc/27/36/73/893273673.db2.gz NGIZWXZJKUULMM-UHFFFAOYSA-N 1 2 389.912 3.580 20 30 GHEDLO COC(=O)c1ccc(Br)c(N[NH+]=C(C)c2cc(F)c(N)c(F)c2)c1 ZINC000814938650 893284268 /nfs/dbraw/zinc/28/42/68/893284268.db2.gz QKWAPLVXSYPEEX-UHFFFAOYSA-N 1 2 398.207 3.932 20 30 GHEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)C1=O ZINC000563233168 893505922 /nfs/dbraw/zinc/50/59/22/893505922.db2.gz OKMZYNYNPUAGSM-RBUKOAKNSA-N 1 2 393.512 3.579 20 30 GHEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)C1=O ZINC000563233168 893505935 /nfs/dbraw/zinc/50/59/35/893505935.db2.gz OKMZYNYNPUAGSM-RBUKOAKNSA-N 1 2 393.512 3.579 20 30 GHEDLO CCc1ccc(C#CC(=O)N(CC)CC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000815727482 894177139 /nfs/dbraw/zinc/17/71/39/894177139.db2.gz ABUJOQRAJCDYHI-UHFFFAOYSA-N 1 2 375.516 3.761 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2c(F)cccc2F)cc1 ZINC000537029614 894237309 /nfs/dbraw/zinc/23/73/09/894237309.db2.gz FOFPACGNUKVRFY-HNNXBMFYSA-N 1 2 387.430 3.961 20 30 GHEDLO N#CCOc1cc(F)ccc1NC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000878936566 894735472 /nfs/dbraw/zinc/73/54/72/894735472.db2.gz OPMORHZBJNUBOE-WKILWMFISA-N 1 2 383.427 3.668 20 30 GHEDLO CC[N@@H+]1CC[C@@H](NC(=O)NCC2(CC#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000565399343 895595208 /nfs/dbraw/zinc/59/52/08/895595208.db2.gz HZPIIDFBQUJWRZ-SJORKVTESA-N 1 2 378.879 3.607 20 30 GHEDLO CC[N@H+]1CC[C@@H](NC(=O)NCC2(CC#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000565399343 895595214 /nfs/dbraw/zinc/59/52/14/895595214.db2.gz HZPIIDFBQUJWRZ-SJORKVTESA-N 1 2 378.879 3.607 20 30 GHEDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1 ZINC001136012058 895905060 /nfs/dbraw/zinc/90/50/60/895905060.db2.gz WPPOBEWCEKGILL-DEOSSOPVSA-N 1 2 397.478 3.703 20 30 GHEDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1 ZINC001136012058 895905067 /nfs/dbraw/zinc/90/50/67/895905067.db2.gz WPPOBEWCEKGILL-DEOSSOPVSA-N 1 2 397.478 3.703 20 30 GHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ccc(OC)c(C#N)c1 ZINC000880876729 895957344 /nfs/dbraw/zinc/95/73/44/895957344.db2.gz IDCCUHJOOOAXET-UHFFFAOYSA-N 1 2 393.491 3.732 20 30 GHEDLO C#CCCCOc1ccc[nH+]c1NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000820633623 897428411 /nfs/dbraw/zinc/42/84/11/897428411.db2.gz GEODBERWEDXYLI-UHFFFAOYSA-N 1 2 383.467 3.586 20 30 GHEDLO CCn1c2ccccc2c(C(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)c1-c1ccccc1 ZINC000646031669 914200239 /nfs/dbraw/zinc/20/02/39/914200239.db2.gz BGSSEQSMCAXUDF-XMMPIXPASA-N 1 2 387.483 3.861 20 30 GHEDLO CCn1c2ccccc2c(C(=O)C[N@H+]2CC[C@](O)(CC#N)C2)c1-c1ccccc1 ZINC000646031669 914200252 /nfs/dbraw/zinc/20/02/52/914200252.db2.gz BGSSEQSMCAXUDF-XMMPIXPASA-N 1 2 387.483 3.861 20 30 GHEDLO N#Cc1ccc(Sc2nnc(C[NH+]3CCCC3)n2-c2ccc(Cl)cc2)nc1 ZINC000042848354 897934148 /nfs/dbraw/zinc/93/41/48/897934148.db2.gz FWSVDPAWDZGLKV-UHFFFAOYSA-N 1 2 396.907 3.934 20 30 GHEDLO Cc1noc([C@H]2CCC[N@@H+](CC(=O)Nc3ccccc3S[C@@H](C)CC#N)C2)n1 ZINC000108360353 898376252 /nfs/dbraw/zinc/37/62/52/898376252.db2.gz HFWRUBRZPDAYJG-HOCLYGCPSA-N 1 2 399.520 3.590 20 30 GHEDLO Cc1noc([C@H]2CCC[N@H+](CC(=O)Nc3ccccc3S[C@@H](C)CC#N)C2)n1 ZINC000108360353 898376266 /nfs/dbraw/zinc/37/62/66/898376266.db2.gz HFWRUBRZPDAYJG-HOCLYGCPSA-N 1 2 399.520 3.590 20 30 GHEDLO N#C[C@@H]1CC=C(Nc2cncnc2[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC001212855538 898377769 /nfs/dbraw/zinc/37/77/69/898377769.db2.gz YZDMHNMREDZYSZ-UTKZUKDTSA-N 1 2 375.476 3.670 20 30 GHEDLO N#C[C@@H]1CC=C(Nc2cncnc2[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC001212855538 898377785 /nfs/dbraw/zinc/37/77/85/898377785.db2.gz YZDMHNMREDZYSZ-UTKZUKDTSA-N 1 2 375.476 3.670 20 30 GHEDLO CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)[NH+]1CCC(CCC#N)CC1 ZINC000569358142 898571506 /nfs/dbraw/zinc/57/15/06/898571506.db2.gz KDIUWMHLPBHWRO-CQSZACIVSA-N 1 2 391.537 3.830 20 30 GHEDLO N#CCCN(C(=O)C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)c1cccc(Cl)c1 ZINC000569412840 898636626 /nfs/dbraw/zinc/63/66/26/898636626.db2.gz MMRBMPJAWGYAKG-ICSRJNTNSA-N 1 2 387.911 3.620 20 30 GHEDLO N#CCCN(C(=O)C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)c1cccc(Cl)c1 ZINC000569412840 898636630 /nfs/dbraw/zinc/63/66/30/898636630.db2.gz MMRBMPJAWGYAKG-ICSRJNTNSA-N 1 2 387.911 3.620 20 30 GHEDLO N#CCCn1cc(C(=O)C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c2ccccc21 ZINC000289631320 914271791 /nfs/dbraw/zinc/27/17/91/914271791.db2.gz RYHXWHSUKQFMIN-FCHUYYIVSA-N 1 2 377.488 3.771 20 30 GHEDLO N#CCCn1cc(C(=O)C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c2ccccc21 ZINC000289631320 914271811 /nfs/dbraw/zinc/27/18/11/914271811.db2.gz RYHXWHSUKQFMIN-FCHUYYIVSA-N 1 2 377.488 3.771 20 30 GHEDLO CCCC[C@@H](ON=C(C)C)C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC001136723246 899034833 /nfs/dbraw/zinc/03/48/33/899034833.db2.gz WTNJIMBOKSDXMM-GHTZIAJQSA-N 1 2 389.540 3.872 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1cnc3cc(C)ccn13)CC2 ZINC001136886376 899671028 /nfs/dbraw/zinc/67/10/28/899671028.db2.gz ILXDILRJOOGZQG-UHFFFAOYSA-N 1 2 391.519 3.510 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1cnc3cc(C)ccn13)CC2 ZINC001136886376 899671030 /nfs/dbraw/zinc/67/10/30/899671030.db2.gz ILXDILRJOOGZQG-UHFFFAOYSA-N 1 2 391.519 3.510 20 30 GHEDLO C=CCOC[C@H]1C[N@@H+](Cc2c[nH]c3cccc(F)c23)Cc2nnn(CC3CC3)c21 ZINC001136981430 899948025 /nfs/dbraw/zinc/94/80/25/899948025.db2.gz OLFPYPTUKGZAQW-QGZVFWFLSA-N 1 2 395.482 3.611 20 30 GHEDLO C=CCOC[C@H]1C[N@H+](Cc2c[nH]c3cccc(F)c23)Cc2nnn(CC3CC3)c21 ZINC001136981430 899948029 /nfs/dbraw/zinc/94/80/29/899948029.db2.gz OLFPYPTUKGZAQW-QGZVFWFLSA-N 1 2 395.482 3.611 20 30 GHEDLO C=CCOc1ccc(-c2nnc(SCC[NH+]3C[C@@H](C)O[C@H](C)C3)o2)cc1 ZINC000572424506 900181369 /nfs/dbraw/zinc/18/13/69/900181369.db2.gz JBBPTFWVQUSXCC-HUUCEWRRSA-N 1 2 375.494 3.503 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(C(F)(F)F)c(OC)c1 ZINC001143350692 900215457 /nfs/dbraw/zinc/21/54/57/900215457.db2.gz LKFICHRUIJYFDW-QGZVFWFLSA-N 1 2 395.425 3.750 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(C(F)(F)F)c(OC)c1 ZINC001143350692 900215472 /nfs/dbraw/zinc/21/54/72/900215472.db2.gz LKFICHRUIJYFDW-QGZVFWFLSA-N 1 2 395.425 3.750 20 30 GHEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2F)C1 ZINC001143793703 900544246 /nfs/dbraw/zinc/54/42/46/900544246.db2.gz NAHADHGYSQFHTL-CYBMUJFWSA-N 1 2 376.350 3.601 20 30 GHEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)cc2F)C1 ZINC001143793703 900544259 /nfs/dbraw/zinc/54/42/59/900544259.db2.gz NAHADHGYSQFHTL-CYBMUJFWSA-N 1 2 376.350 3.601 20 30 GHEDLO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844370261 900735201 /nfs/dbraw/zinc/73/52/01/900735201.db2.gz PQSZEQXOEUJBKB-KUHUBIRLSA-N 1 2 396.878 3.912 20 30 GHEDLO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844370261 900735207 /nfs/dbraw/zinc/73/52/07/900735207.db2.gz PQSZEQXOEUJBKB-KUHUBIRLSA-N 1 2 396.878 3.912 20 30 GHEDLO C=CCOC(=O)N1CCC2(CCC[N@H+](Cc3n[nH]c4ccc(F)cc34)C2)CC1 ZINC001144191773 901226464 /nfs/dbraw/zinc/22/64/64/901226464.db2.gz ZIMZEKJCWINQCM-UHFFFAOYSA-N 1 2 386.471 3.703 20 30 GHEDLO C=CCC1(O)CC[NH+](Cc2csc(CC(=O)Nc3ccccc3C)n2)CC1 ZINC000886772440 901264769 /nfs/dbraw/zinc/26/47/69/901264769.db2.gz YJYPDDICIREGBO-UHFFFAOYSA-N 1 2 385.533 3.536 20 30 GHEDLO COc1cccc([C@@H]2C[N@H+](Cc3ccc(OC)c(OCCCC#N)c3)CCO2)c1 ZINC000093080330 901527595 /nfs/dbraw/zinc/52/75/95/901527595.db2.gz NRSDATDEJHLYAA-QHCPKHFHSA-N 1 2 396.487 3.960 20 30 GHEDLO COc1cccc([C@@H]2C[N@@H+](Cc3ccc(OC)c(OCCCC#N)c3)CCO2)c1 ZINC000093080330 901527606 /nfs/dbraw/zinc/52/76/06/901527606.db2.gz NRSDATDEJHLYAA-QHCPKHFHSA-N 1 2 396.487 3.960 20 30 GHEDLO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000333297050 901983198 /nfs/dbraw/zinc/98/31/98/901983198.db2.gz LHZLXAKWUTUJIZ-FGZHOGPDSA-N 1 2 399.498 3.777 20 30 GHEDLO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000333297050 901983209 /nfs/dbraw/zinc/98/32/09/901983209.db2.gz LHZLXAKWUTUJIZ-FGZHOGPDSA-N 1 2 399.498 3.777 20 30 GHEDLO C[C@@H](CC(=O)OC[C@H](C#N)Cc1cccc(Br)c1)n1cc[nH+]c1 ZINC000845536556 902235135 /nfs/dbraw/zinc/23/51/35/902235135.db2.gz XDDDHFCRKIQYPN-ZFWWWQNUSA-N 1 2 376.254 3.522 20 30 GHEDLO C[C@H](CC(=O)OC[C@H](C#N)Cc1ccccc1Br)n1cc[nH+]c1 ZINC000845542944 902236900 /nfs/dbraw/zinc/23/69/00/902236900.db2.gz XXBPAKOJWLCYHB-KGLIPLIRSA-N 1 2 376.254 3.522 20 30 GHEDLO C[N@@H+](Cc1cc(Br)cnc1Cl)C[C@H](O)c1cccc(C#N)c1 ZINC000846006027 902587430 /nfs/dbraw/zinc/58/74/30/902587430.db2.gz GDJRZFAZSCIDII-HNNXBMFYSA-N 1 2 380.673 3.535 20 30 GHEDLO C[N@H+](Cc1cc(Br)cnc1Cl)C[C@H](O)c1cccc(C#N)c1 ZINC000846006027 902587447 /nfs/dbraw/zinc/58/74/47/902587447.db2.gz GDJRZFAZSCIDII-HNNXBMFYSA-N 1 2 380.673 3.535 20 30 GHEDLO N#CCCCCNC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000264039215 902796092 /nfs/dbraw/zinc/79/60/92/902796092.db2.gz FRVJNFVXEXKFNS-UHFFFAOYSA-N 1 2 391.878 3.971 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cnc(-c4ccco4)s3)CC2)cc1 ZINC000264056633 902812101 /nfs/dbraw/zinc/81/21/01/902812101.db2.gz ZMFBAZFSKCVRTO-UHFFFAOYSA-N 1 2 392.484 3.623 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cnc(-c4ccco4)s3)CC2)cc1 ZINC000264056633 902812113 /nfs/dbraw/zinc/81/21/13/902812113.db2.gz ZMFBAZFSKCVRTO-UHFFFAOYSA-N 1 2 392.484 3.623 20 30 GHEDLO C#CCOc1cccc(Cl)c1C[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000779153800 904729446 /nfs/dbraw/zinc/72/94/46/904729446.db2.gz LFTRITOUGQDCOJ-UHFFFAOYSA-N 1 2 382.891 3.700 20 30 GHEDLO C#CCOc1cccc(Cl)c1C[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000779153800 904729453 /nfs/dbraw/zinc/72/94/53/904729453.db2.gz LFTRITOUGQDCOJ-UHFFFAOYSA-N 1 2 382.891 3.700 20 30 GHEDLO C[C@@H](CCCC#N)[N@@H+]1CCc2c(nnn2CC2CC2)[C@@H]1COCc1ccccc1 ZINC001172498263 905599696 /nfs/dbraw/zinc/59/96/96/905599696.db2.gz KGPQWFYEPWVJJM-AVRDEDQJSA-N 1 2 393.535 3.886 20 30 GHEDLO C[C@@H](CCCC#N)[N@H+]1CCc2c(nnn2CC2CC2)[C@@H]1COCc1ccccc1 ZINC001172498263 905599711 /nfs/dbraw/zinc/59/97/11/905599711.db2.gz KGPQWFYEPWVJJM-AVRDEDQJSA-N 1 2 393.535 3.886 20 30 GHEDLO CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3ccc(F)c(C#N)c3)c[nH+]2)CC1 ZINC001174453965 907059813 /nfs/dbraw/zinc/05/98/13/907059813.db2.gz WGSVAWDTCDRNCN-UHFFFAOYSA-N 1 2 397.454 3.893 20 30 GHEDLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000366069676 921301000 /nfs/dbraw/zinc/30/10/00/921301000.db2.gz XRSIFCQLZTXFBG-DNVCBOLYSA-N 1 2 397.548 3.898 20 30 GHEDLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000366069676 921301005 /nfs/dbraw/zinc/30/10/05/921301005.db2.gz XRSIFCQLZTXFBG-DNVCBOLYSA-N 1 2 397.548 3.898 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)Cc2ccccc2CC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000777411156 907681694 /nfs/dbraw/zinc/68/16/94/907681694.db2.gz ZKUYFLFLUKDWIQ-CTNGQTDRSA-N 1 2 385.870 3.649 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)Cc2ccccc2CC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000777411156 907681703 /nfs/dbraw/zinc/68/17/03/907681703.db2.gz ZKUYFLFLUKDWIQ-CTNGQTDRSA-N 1 2 385.870 3.649 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)cc1Cl ZINC001176086233 907906312 /nfs/dbraw/zinc/90/63/12/907906312.db2.gz FZKLKBBUJCQJHG-AWEZNQCLSA-N 1 2 375.753 3.517 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)cc1Cl ZINC001176086233 907906325 /nfs/dbraw/zinc/90/63/25/907906325.db2.gz FZKLKBBUJCQJHG-AWEZNQCLSA-N 1 2 375.753 3.517 20 30 GHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC001176235193 907997132 /nfs/dbraw/zinc/99/71/32/907997132.db2.gz PPEUMPAJDTYCGY-LPHOPBHVSA-N 1 2 381.501 3.597 20 30 GHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC001176235193 907997142 /nfs/dbraw/zinc/99/71/42/907997142.db2.gz PPEUMPAJDTYCGY-LPHOPBHVSA-N 1 2 381.501 3.597 20 30 GHEDLO C=CC[C@@H](C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1)c1ccccc1 ZINC000187167489 908050663 /nfs/dbraw/zinc/05/06/63/908050663.db2.gz FTYQEFGVJFEAFQ-HSZRJFAPSA-N 1 2 391.515 3.649 20 30 GHEDLO C=CCn1cc(Nc2ccccc2C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cn1 ZINC001176550574 908174200 /nfs/dbraw/zinc/17/42/00/908174200.db2.gz NDCBNJNWWOPHOW-UHFFFAOYSA-N 1 2 397.523 3.865 20 30 GHEDLO N#Cc1cc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccco2)ccc1N1CCCCC1 ZINC001177621521 908675129 /nfs/dbraw/zinc/67/51/29/908675129.db2.gz DKNHTHLHFJBQDG-NRFANRHFSA-N 1 2 378.476 3.745 20 30 GHEDLO N#Cc1cc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccco2)ccc1N1CCCCC1 ZINC001177621521 908675140 /nfs/dbraw/zinc/67/51/40/908675140.db2.gz DKNHTHLHFJBQDG-NRFANRHFSA-N 1 2 378.476 3.745 20 30 GHEDLO N#Cc1ccc(C[N@@H+](Cc2ccc(S(=O)(=O)C(F)F)cc2)C2CC2)cc1 ZINC000194540062 908892294 /nfs/dbraw/zinc/89/22/94/908892294.db2.gz IGRYSDNUIAFJJR-UHFFFAOYSA-N 1 2 376.428 3.719 20 30 GHEDLO N#Cc1ccc(C[N@H+](Cc2ccc(S(=O)(=O)C(F)F)cc2)C2CC2)cc1 ZINC000194540062 908892300 /nfs/dbraw/zinc/89/23/00/908892300.db2.gz IGRYSDNUIAFJJR-UHFFFAOYSA-N 1 2 376.428 3.719 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000366480670 921642960 /nfs/dbraw/zinc/64/29/60/921642960.db2.gz JPKPYVIMTQYNDU-SJLPKXTDSA-N 1 2 387.549 3.625 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000366480670 921642969 /nfs/dbraw/zinc/64/29/69/921642969.db2.gz JPKPYVIMTQYNDU-SJLPKXTDSA-N 1 2 387.549 3.625 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000366480668 921643608 /nfs/dbraw/zinc/64/36/08/921643608.db2.gz JPKPYVIMTQYNDU-FUHWJXTLSA-N 1 2 387.549 3.625 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000366480668 921643617 /nfs/dbraw/zinc/64/36/17/921643617.db2.gz JPKPYVIMTQYNDU-FUHWJXTLSA-N 1 2 387.549 3.625 20 30 GHEDLO C[N@@H+]1[C@@H](C(=O)Nc2ccc(C(C)(C)C#N)nc2)C[C@]2(C)COc3ccccc3[C@H]12 ZINC001187623670 915392745 /nfs/dbraw/zinc/39/27/45/915392745.db2.gz CFGLVVZGCWFQGO-DHJUGAMNSA-N 1 2 390.487 3.665 20 30 GHEDLO C[N@H+]1[C@@H](C(=O)Nc2ccc(C(C)(C)C#N)nc2)C[C@]2(C)COc3ccccc3[C@H]12 ZINC001187623670 915392763 /nfs/dbraw/zinc/39/27/63/915392763.db2.gz CFGLVVZGCWFQGO-DHJUGAMNSA-N 1 2 390.487 3.665 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000292210119 915562419 /nfs/dbraw/zinc/56/24/19/915562419.db2.gz TYGDWWMSILWULF-FUHWJXTLSA-N 1 2 387.549 3.768 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000292210119 915562430 /nfs/dbraw/zinc/56/24/30/915562430.db2.gz TYGDWWMSILWULF-FUHWJXTLSA-N 1 2 387.549 3.768 20 30 GHEDLO CC(C)N(C(=O)[C@@H](C)O[NH+]=C(N)c1ccc(OCc2ccccc2)cc1)C(C)C ZINC000097571211 915702082 /nfs/dbraw/zinc/70/20/82/915702082.db2.gz VIOFDXMUUGXGQC-GOSISDBHSA-N 1 2 397.519 3.936 20 30 GHEDLO C[C@@H](C#N)Oc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)cc1 ZINC000775182188 916061453 /nfs/dbraw/zinc/06/14/53/916061453.db2.gz SFYMSOWWYHEFSR-INIZCTEOSA-N 1 2 380.879 3.825 20 30 GHEDLO N#Cc1ccc(C(=O)N2CC[N@@H+]3CCc4ccccc4[C@@H]3C2)c(C(F)(F)F)c1 ZINC001192091862 918386441 /nfs/dbraw/zinc/38/64/41/918386441.db2.gz QUVHKRMFXPAFLX-IBGZPJMESA-N 1 2 385.389 3.632 20 30 GHEDLO N#Cc1ccc(C(=O)N2CC[N@H+]3CCc4ccccc4[C@@H]3C2)c(C(F)(F)F)c1 ZINC001192091862 918386450 /nfs/dbraw/zinc/38/64/50/918386450.db2.gz QUVHKRMFXPAFLX-IBGZPJMESA-N 1 2 385.389 3.632 20 30 GHEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2sc(NC(C)(C)C)nc2Cl)C1=O ZINC001275869457 919026579 /nfs/dbraw/zinc/02/65/79/919026579.db2.gz YNYKRAZPTIPEPJ-SFHVURJKSA-N 1 2 382.961 3.760 20 30 GHEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2sc(NC(C)(C)C)nc2Cl)C1=O ZINC001275869457 919026593 /nfs/dbraw/zinc/02/65/93/919026593.db2.gz YNYKRAZPTIPEPJ-SFHVURJKSA-N 1 2 382.961 3.760 20 30 GHEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000115531808 919455264 /nfs/dbraw/zinc/45/52/64/919455264.db2.gz WHODDGPZEMBTMO-IBGZPJMESA-N 1 2 376.485 3.574 20 30 GHEDLO O=C([C@H]1C[N@H+](Cc2ccccc2)CCO1)N(O)Cc1cc(Cl)cc(Cl)c1 ZINC000900096693 919839255 /nfs/dbraw/zinc/83/92/55/919839255.db2.gz MMXPYVMVGVOLAK-GOSISDBHSA-N 1 2 395.286 3.612 20 30 GHEDLO O=C([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N(O)Cc1cc(Cl)cc(Cl)c1 ZINC000900096693 919839267 /nfs/dbraw/zinc/83/92/67/919839267.db2.gz MMXPYVMVGVOLAK-GOSISDBHSA-N 1 2 395.286 3.612 20 30 GHEDLO C=CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2noc(C)n2)CC1)c1ccccc1 ZINC000364714490 919895717 /nfs/dbraw/zinc/89/57/17/919895717.db2.gz IDVNPSPQHLHLMP-WOJBJXKFSA-N 1 2 382.508 3.551 20 30 GHEDLO C=CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2noc(C)n2)CC1)c1ccccc1 ZINC000364714490 919895724 /nfs/dbraw/zinc/89/57/24/919895724.db2.gz IDVNPSPQHLHLMP-WOJBJXKFSA-N 1 2 382.508 3.551 20 30 GHEDLO CC[C@H](NC(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1)c1ccc(Cl)cc1 ZINC000367066939 921902911 /nfs/dbraw/zinc/90/29/11/921902911.db2.gz PEFUVDJIBDJYRI-IBGZPJMESA-N 1 2 396.922 3.860 20 30 GHEDLO N#CC1(c2ccccn2)CC[NH+](Cc2nn(-c3ccccc3)c3c2CCC3)CC1 ZINC000369206029 923203733 /nfs/dbraw/zinc/20/37/33/923203733.db2.gz LOAGXRADONXPIW-UHFFFAOYSA-N 1 2 383.499 3.813 20 30 GHEDLO CC(C)[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000009870251 923532627 /nfs/dbraw/zinc/53/26/27/923532627.db2.gz UETFHMPVFRCPFM-QFIPXVFZSA-N 1 2 394.494 3.922 20 30 GHEDLO CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C\c2c[nH+]c3cccc(C)n23)cc1 ZINC000749000121 923980130 /nfs/dbraw/zinc/98/01/30/923980130.db2.gz UMSRYHOLWNMTBQ-KAMYIIQDSA-N 1 2 397.500 3.569 20 30 GHEDLO C=CCOC[C@H]1C[N@H+](Cc2cnc3ccccc3c2)Cc2nnn(CC3CC3)c21 ZINC001137279320 924204645 /nfs/dbraw/zinc/20/46/45/924204645.db2.gz KDBSOJKVALDDHJ-HXUWFJFHSA-N 1 2 389.503 3.538 20 30 GHEDLO C=CCOC[C@H]1C[N@@H+](Cc2cnc3ccccc3c2)Cc2nnn(CC3CC3)c21 ZINC001137279320 924204656 /nfs/dbraw/zinc/20/46/56/924204656.db2.gz KDBSOJKVALDDHJ-HXUWFJFHSA-N 1 2 389.503 3.538 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)NCC#Cc2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000677248431 924300082 /nfs/dbraw/zinc/30/00/82/924300082.db2.gz WOHLPJLSFDRKKP-UXHICEINSA-N 1 2 385.870 3.575 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)NCC#Cc2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000677248431 924300091 /nfs/dbraw/zinc/30/00/91/924300091.db2.gz WOHLPJLSFDRKKP-UXHICEINSA-N 1 2 385.870 3.575 20 30 GHEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(F)c(F)cc1Br ZINC001276145412 926001939 /nfs/dbraw/zinc/00/19/39/926001939.db2.gz CNHNNZSYJCFZLM-IAGOWNOFSA-N 1 2 399.279 3.869 20 30 GHEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(F)c(F)cc1Br ZINC001276145412 926001949 /nfs/dbraw/zinc/00/19/49/926001949.db2.gz CNHNNZSYJCFZLM-IAGOWNOFSA-N 1 2 399.279 3.869 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)C[C@H](CC#N)c2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000373573418 926257729 /nfs/dbraw/zinc/25/77/29/926257729.db2.gz BNEMEQCXZRLJCV-BUKVSMQUSA-N 1 2 383.442 3.914 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)C[C@H](CC#N)c2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000373573418 926257733 /nfs/dbraw/zinc/25/77/33/926257733.db2.gz BNEMEQCXZRLJCV-BUKVSMQUSA-N 1 2 383.442 3.914 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(c2ccncn2)CC1 ZINC000411826878 926824591 /nfs/dbraw/zinc/82/45/91/926824591.db2.gz KGMAVWCBMIMNHE-MRXNPFEDSA-N 1 2 395.532 3.546 20 30 GHEDLO N#CCOc1ccc(CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)cc1 ZINC000374335045 927029097 /nfs/dbraw/zinc/02/90/97/927029097.db2.gz XOJRHIPORCNCKD-UHFFFAOYSA-N 1 2 399.454 3.826 20 30 GHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)Nc2cccc(OCC#N)c2)c(C)c1 ZINC000750292662 927538820 /nfs/dbraw/zinc/53/88/20/927538820.db2.gz WIZZQYDXLZHUCO-NRFANRHFSA-N 1 2 389.459 3.965 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccnn3C3CCCCC3)CC2)cc1 ZINC000750622655 927760024 /nfs/dbraw/zinc/76/00/24/927760024.db2.gz YVXRDENVCRCOTR-UHFFFAOYSA-N 1 2 392.507 3.610 20 30 GHEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000467197244 928811774 /nfs/dbraw/zinc/81/17/74/928811774.db2.gz TYQTYBSHBBJLID-XXBNENTESA-N 1 2 395.551 3.672 20 30 GHEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000467197244 928811783 /nfs/dbraw/zinc/81/17/83/928811783.db2.gz TYQTYBSHBBJLID-XXBNENTESA-N 1 2 395.551 3.672 20 30 GHEDLO COC(=O)c1cccc(C[NH2+][C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)c1C#N ZINC000544420423 929158285 /nfs/dbraw/zinc/15/82/85/929158285.db2.gz FCWCIKNFSAJHQI-NSHDSACASA-N 1 2 394.397 3.571 20 30 GHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470032610 930331869 /nfs/dbraw/zinc/33/18/69/930331869.db2.gz WQPSOEIGAZBPRP-RDTXWAMCSA-N 1 2 384.307 3.501 20 30 GHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470032610 930331874 /nfs/dbraw/zinc/33/18/74/930331874.db2.gz WQPSOEIGAZBPRP-RDTXWAMCSA-N 1 2 384.307 3.501 20 30 GHEDLO C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000780677418 930574500 /nfs/dbraw/zinc/57/45/00/930574500.db2.gz GNOWOTYBNLWLRJ-APWZRJJASA-N 1 2 389.459 3.816 20 30 GHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000471041018 931111678 /nfs/dbraw/zinc/11/16/78/931111678.db2.gz MXLQRMJWIAUMLK-OPAMFIHVSA-N 1 2 394.519 3.645 20 30 GHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000471041018 931111689 /nfs/dbraw/zinc/11/16/89/931111689.db2.gz MXLQRMJWIAUMLK-OPAMFIHVSA-N 1 2 394.519 3.645 20 30 GHEDLO Cc1ccccc1-c1nc(CO[NH+]=C(N)c2ccc(Br)cc2)no1 ZINC000782949823 931372837 /nfs/dbraw/zinc/37/28/37/931372837.db2.gz MZPOIKQFTBXBEU-UHFFFAOYSA-N 1 2 387.237 3.645 20 30 GHEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3ccc(C#N)c(F)c3)CC2)c1 ZINC000558503297 932039038 /nfs/dbraw/zinc/03/90/38/932039038.db2.gz HQZRNFLGUIZTGY-OAHLLOKOSA-N 1 2 382.439 3.617 20 30 GHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)O[C@H](C#N)Cc1ccc(F)cc1F ZINC000796830164 932082574 /nfs/dbraw/zinc/08/25/74/932082574.db2.gz OKCGMJPUKIYZFW-ZDUSSCGKSA-N 1 2 391.324 3.579 20 30 GHEDLO N#Cc1cc(F)c(C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)c(F)c1 ZINC000798130610 932541637 /nfs/dbraw/zinc/54/16/37/932541637.db2.gz VUCNGRRBDYJYBC-AWEZNQCLSA-N 1 2 384.430 3.895 20 30 GHEDLO N#Cc1cc(F)c(C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)c(F)c1 ZINC000798130610 932541645 /nfs/dbraw/zinc/54/16/45/932541645.db2.gz VUCNGRRBDYJYBC-AWEZNQCLSA-N 1 2 384.430 3.895 20 30 GHEDLO O=C(C#Cc1ccc2c(c1)OCO2)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000798268527 932583282 /nfs/dbraw/zinc/58/32/82/932583282.db2.gz XKTYTECISOKSJT-UHFFFAOYSA-N 1 2 385.423 3.605 20 30 GHEDLO Cc1cc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc(C)c1OC(F)F ZINC000798275773 932589052 /nfs/dbraw/zinc/58/90/52/932589052.db2.gz UJLJTHQYEFBZMO-JKSUJKDBSA-N 1 2 395.450 3.754 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCCC[C@@H]2c2ccnn2C)cc1C ZINC000799183606 932902881 /nfs/dbraw/zinc/90/28/81/932902881.db2.gz VMOQDIMIQFTYTJ-OAQYLSRUSA-N 1 2 379.508 3.511 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2c2ccnn2C)cc1C ZINC000799183606 932902890 /nfs/dbraw/zinc/90/28/90/932902890.db2.gz VMOQDIMIQFTYTJ-OAQYLSRUSA-N 1 2 379.508 3.511 20 30 GHEDLO CN(C)c1[nH+]cccc1/C=C/C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC001117351779 933929076 /nfs/dbraw/zinc/92/90/76/933929076.db2.gz VPWJWSMOFODRPQ-SDNWHVSQSA-N 1 2 384.501 3.760 20 30 GHEDLO C=CCn1c([C@H](C)CCC#N)nnc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001121501702 934676566 /nfs/dbraw/zinc/67/65/66/934676566.db2.gz BVQSGGZOYICPRR-QGZVFWFLSA-N 1 2 398.942 3.847 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC([C@@H]2CCCO2)CC1 ZINC001121591147 934709471 /nfs/dbraw/zinc/70/94/71/934709471.db2.gz VMTPRZOJFYJRSB-UXHICEINSA-N 1 2 398.555 3.692 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N(C)Cc1cscn1 ZINC001121681596 934736971 /nfs/dbraw/zinc/73/69/71/934736971.db2.gz CJBKCLPUYCFSFZ-INIZCTEOSA-N 1 2 382.537 3.750 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N(C)Cc1cscn1 ZINC001121681596 934736975 /nfs/dbraw/zinc/73/69/75/934736975.db2.gz CJBKCLPUYCFSFZ-INIZCTEOSA-N 1 2 382.537 3.750 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)[C@@H](C)c1ccccc1F ZINC001121683934 934738088 /nfs/dbraw/zinc/73/80/88/934738088.db2.gz CHEHFBKDBBOHBR-KRWDZBQOSA-N 1 2 396.514 3.894 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC001121714696 934745886 /nfs/dbraw/zinc/74/58/86/934745886.db2.gz BICUDQZSLRDICZ-QGZVFWFLSA-N 1 2 382.899 3.783 20 30 GHEDLO CCn1c([C@H](C)CCC#N)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001121870175 934781574 /nfs/dbraw/zinc/78/15/74/934781574.db2.gz PUEYCOZATQKKCT-MRXNPFEDSA-N 1 2 386.931 3.681 20 30 GHEDLO C=C(C)Cn1c(-c2ccc(C)nc2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001122393129 934860992 /nfs/dbraw/zinc/86/09/92/934860992.db2.gz IFBJZTACSMDLRT-UHFFFAOYSA-N 1 2 389.507 3.701 20 30 GHEDLO C=C(C)Cn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC[C@@H](C#N)C1 ZINC001122442188 934870927 /nfs/dbraw/zinc/87/09/27/934870927.db2.gz YUIKCECJPXFPBG-QUCCMNQESA-N 1 2 378.524 3.787 20 30 GHEDLO C=C(C)Cn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC[C@@H](C#N)C1 ZINC001122442188 934870933 /nfs/dbraw/zinc/87/09/33/934870933.db2.gz YUIKCECJPXFPBG-QUCCMNQESA-N 1 2 378.524 3.787 20 30 GHEDLO C=C(C)Cn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC[C@H](C#N)C1 ZINC001122442189 934871240 /nfs/dbraw/zinc/87/12/40/934871240.db2.gz YUIKCECJPXFPBG-UYAOXDASSA-N 1 2 378.524 3.787 20 30 GHEDLO C=C(C)Cn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC[C@H](C#N)C1 ZINC001122442189 934871247 /nfs/dbraw/zinc/87/12/47/934871247.db2.gz YUIKCECJPXFPBG-UYAOXDASSA-N 1 2 378.524 3.787 20 30 GHEDLO CC[NH+](CC)[C@H](C(=O)[C@@H](C#N)c1nccn1C)c1cccc(C(F)(F)F)c1 ZINC001122606885 934917447 /nfs/dbraw/zinc/91/74/47/934917447.db2.gz RWVOTEUKRVNMON-CVEARBPZSA-N 1 2 378.398 3.698 20 30 GHEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCC[C@H]1C1CCC1 ZINC001122626869 934925444 /nfs/dbraw/zinc/92/54/44/934925444.db2.gz FCRRKGGTWHYORC-UFYCRDLUSA-N 1 2 385.556 3.549 20 30 GHEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCC[C@H]1C1CCC1 ZINC001122626869 934925448 /nfs/dbraw/zinc/92/54/48/934925448.db2.gz FCRRKGGTWHYORC-UFYCRDLUSA-N 1 2 385.556 3.549 20 30 GHEDLO N#Cc1cc(F)ccc1C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000828807879 935716865 /nfs/dbraw/zinc/71/68/65/935716865.db2.gz SNRMIPPXVORXNF-MXVIHJGJSA-N 1 2 383.423 3.911 20 30 GHEDLO N#Cc1cc(F)ccc1C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000828807879 935716867 /nfs/dbraw/zinc/71/68/67/935716867.db2.gz SNRMIPPXVORXNF-MXVIHJGJSA-N 1 2 383.423 3.911 20 30 GHEDLO CCCCOc1ccccc1C[N@@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000468402388 1015670917 /nfs/dbraw/zinc/67/09/17/1015670917.db2.gz PGZWJPXOUXYUIP-MBSDFSHPSA-N 1 2 375.472 3.711 20 30 GHEDLO CCCCOc1ccccc1C[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000468402388 1015670922 /nfs/dbraw/zinc/67/09/22/1015670922.db2.gz PGZWJPXOUXYUIP-MBSDFSHPSA-N 1 2 375.472 3.711 20 30 GHEDLO Cc1nc(N2CCN(C(=O)Nc3ccccc3C#Cc3ccccc3)CC2)cc[nH+]1 ZINC000545437519 1015872028 /nfs/dbraw/zinc/87/20/28/1015872028.db2.gz QUXWLCGVSOXYAO-UHFFFAOYSA-N 1 2 397.482 3.539 20 30 GHEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2cc(Br)cc(C)c2OC)C1=O ZINC001277206812 1032411239 /nfs/dbraw/zinc/41/12/39/1032411239.db2.gz YGYPSQLYZUGKEW-LJQANCHMSA-N 1 2 393.325 3.519 20 30 GHEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2cc(Br)cc(C)c2OC)C1=O ZINC001277206812 1032411245 /nfs/dbraw/zinc/41/12/45/1032411245.db2.gz YGYPSQLYZUGKEW-LJQANCHMSA-N 1 2 393.325 3.519 20 30 GHEDLO C=C(Br)C[NH+]1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000777744158 1017599327 /nfs/dbraw/zinc/59/93/27/1017599327.db2.gz MTLKXDKESXCEMO-UHFFFAOYSA-N 1 2 394.231 3.863 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(CCC#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000932567243 1018468105 /nfs/dbraw/zinc/46/81/05/1018468105.db2.gz SIBVTADEVBFBJA-PMACEKPBSA-N 1 2 384.430 3.988 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)Nc2ccc(CCC#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000932567243 1018468120 /nfs/dbraw/zinc/46/81/20/1018468120.db2.gz SIBVTADEVBFBJA-PMACEKPBSA-N 1 2 384.430 3.988 20 30 GHEDLO N#CC[C@@H](NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(F)(F)F ZINC000932909453 1018746659 /nfs/dbraw/zinc/74/66/59/1018746659.db2.gz FIRSMKTUQXUVMR-OAHLLOKOSA-N 1 2 375.354 3.568 20 30 GHEDLO N#CC[C@H](NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(F)(F)F ZINC000932909452 1018746916 /nfs/dbraw/zinc/74/69/16/1018746916.db2.gz FIRSMKTUQXUVMR-HNNXBMFYSA-N 1 2 375.354 3.568 20 30 GHEDLO Fc1cncc(C[NH+]2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c1 ZINC000932945108 1018776733 /nfs/dbraw/zinc/77/67/33/1018776733.db2.gz RKCAVFGXBSLFRK-UWVGGRQHSA-N 1 2 378.238 3.824 20 30 GHEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C[C@H]1C(F)(F)F ZINC001204373117 1032813147 /nfs/dbraw/zinc/81/31/47/1032813147.db2.gz NTEOHKBBLNAIBL-CVEARBPZSA-N 1 2 383.414 3.836 20 30 GHEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@H]1C(F)(F)F ZINC001204373117 1032813159 /nfs/dbraw/zinc/81/31/59/1032813159.db2.gz NTEOHKBBLNAIBL-CVEARBPZSA-N 1 2 383.414 3.836 20 30 GHEDLO CC[C@H](C#N)Oc1cc(CNc2nc(NC)c3ccccc3[nH+]2)ccc1OC ZINC000827623596 1022300816 /nfs/dbraw/zinc/30/08/16/1022300816.db2.gz LZFJEPWMNQWLTF-OAHLLOKOSA-N 1 2 377.448 3.973 20 30 GHEDLO COc1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)c(Br)c1 ZINC001140758754 1022456623 /nfs/dbraw/zinc/45/66/23/1022456623.db2.gz PVWCANUFSOFHCN-UHFFFAOYSA-N 1 2 386.293 3.652 20 30 GHEDLO CN(C)c1cc(COC(=O)c2ccc(COc3ccccc3C#N)o2)cc[nH+]1 ZINC000755906750 1023429368 /nfs/dbraw/zinc/42/93/68/1023429368.db2.gz PDCPRMAJUCCWGZ-UHFFFAOYSA-N 1 2 377.400 3.548 20 30 GHEDLO CC(C)(C)OC(=O)N[C@]1(C)CCC[N@H+](Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141108933 1023521678 /nfs/dbraw/zinc/52/16/78/1023521678.db2.gz JNLOHPVFYOTELX-QGZVFWFLSA-N 1 2 384.933 3.735 20 30 GHEDLO CC(C)(C)OC(=O)N[C@]1(C)CCC[N@@H+](Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141108933 1023521683 /nfs/dbraw/zinc/52/16/83/1023521683.db2.gz JNLOHPVFYOTELX-QGZVFWFLSA-N 1 2 384.933 3.735 20 30 GHEDLO COC(=O)c1cccc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccco2)c1C#N ZINC000756543771 1023707540 /nfs/dbraw/zinc/70/75/40/1023707540.db2.gz NEPWFCOQZDZFON-NRFANRHFSA-N 1 2 390.439 3.674 20 30 GHEDLO COC(=O)c1cccc(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccco2)c1C#N ZINC000756543771 1023707549 /nfs/dbraw/zinc/70/75/49/1023707549.db2.gz NEPWFCOQZDZFON-NRFANRHFSA-N 1 2 390.439 3.674 20 30 GHEDLO COCC[N@H+](Cc1ccc(F)cc1C#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001141167113 1023998866 /nfs/dbraw/zinc/99/88/66/1023998866.db2.gz AFZUNSQMLLNBFH-LJQANCHMSA-N 1 2 391.487 3.545 20 30 GHEDLO COCC[N@@H+](Cc1ccc(F)cc1C#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001141167113 1023998870 /nfs/dbraw/zinc/99/88/70/1023998870.db2.gz AFZUNSQMLLNBFH-LJQANCHMSA-N 1 2 391.487 3.545 20 30 GHEDLO CC(C)(C)C(=O)Nc1ccc(C#C[Si](C)(C)C)nc1NCc1cc[nH+]c(N)c1 ZINC001156757560 1033226394 /nfs/dbraw/zinc/22/63/94/1033226394.db2.gz VSGBLUASOCIDOZ-UHFFFAOYSA-N 1 2 395.583 3.884 20 30 GHEDLO C=CCOc1ccccc1C[N@H+]1Cc2c(cnn2CC)[C@@H](COCC2CC2)C1 ZINC001139028889 1025796171 /nfs/dbraw/zinc/79/61/71/1025796171.db2.gz HUQHVQHOLBXXEM-HXUWFJFHSA-N 1 2 381.520 3.994 20 30 GHEDLO C=CCOc1ccccc1C[N@@H+]1Cc2c(cnn2CC)[C@@H](COCC2CC2)C1 ZINC001139028889 1025796188 /nfs/dbraw/zinc/79/61/88/1025796188.db2.gz HUQHVQHOLBXXEM-HXUWFJFHSA-N 1 2 381.520 3.994 20 30 GHEDLO N#Cc1c(F)cc(CNc2[nH+]cnc3c2cnn3-c2ccccc2F)cc1F ZINC001163636189 1026260980 /nfs/dbraw/zinc/26/09/80/1026260980.db2.gz ZXSUXZLQDUPFRU-UHFFFAOYSA-N 1 2 380.333 3.717 20 30 GHEDLO N#Cc1ccc(F)c(C[N@@H+]2CCO[C@]3(CCC[C@H]3COCc3ccccn3)C2)c1 ZINC001139647464 1026508152 /nfs/dbraw/zinc/50/81/52/1026508152.db2.gz INAPSUPQDZZYPV-NZQKXSOJSA-N 1 2 395.478 3.680 20 30 GHEDLO N#Cc1ccc(F)c(C[N@H+]2CCO[C@]3(CCC[C@H]3COCc3ccccn3)C2)c1 ZINC001139647464 1026508159 /nfs/dbraw/zinc/50/81/59/1026508159.db2.gz INAPSUPQDZZYPV-NZQKXSOJSA-N 1 2 395.478 3.680 20 30 GHEDLO N#Cc1c(Cl)cccc1C[N@@H+]1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001139688451 1026540089 /nfs/dbraw/zinc/54/00/89/1026540089.db2.gz LVUBJRMQRVYHKN-SIKLNZKXSA-N 1 2 397.906 3.947 20 30 GHEDLO N#Cc1c(Cl)cccc1C[N@H+]1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001139688451 1026540098 /nfs/dbraw/zinc/54/00/98/1026540098.db2.gz LVUBJRMQRVYHKN-SIKLNZKXSA-N 1 2 397.906 3.947 20 30 GHEDLO N#CCc1cc[nH+]c(N2CCC3(CC2)C(=O)N(CC2CC2)[C@@H]3c2ccccc2)c1 ZINC001166426292 1026999367 /nfs/dbraw/zinc/99/93/67/1026999367.db2.gz CUTIZNYLLNDEST-JOCHJYFZSA-N 1 2 386.499 3.728 20 30 GHEDLO C=CCn1c2nn(C[N@@H+](CC)C3CC(C)(C)C3)c(=S)n2c2ccccc2c1=O ZINC000840185207 1027326111 /nfs/dbraw/zinc/32/61/11/1027326111.db2.gz XFZQFGOXVPNZBN-UHFFFAOYSA-N 1 2 397.548 3.834 20 30 GHEDLO C=CCn1c2nn(C[N@H+](CC)C3CC(C)(C)C3)c(=S)n2c2ccccc2c1=O ZINC000840185207 1027326130 /nfs/dbraw/zinc/32/61/30/1027326130.db2.gz XFZQFGOXVPNZBN-UHFFFAOYSA-N 1 2 397.548 3.834 20 30 GHEDLO Cc1ccc(Nc2cncnc2[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(C#N)c1 ZINC001210563662 1027557174 /nfs/dbraw/zinc/55/71/74/1027557174.db2.gz QQCCFVHMUWVUOP-JOCHJYFZSA-N 1 2 385.471 3.974 20 30 GHEDLO Cc1ccc(Nc2cncnc2[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(C#N)c1 ZINC001210563662 1027557186 /nfs/dbraw/zinc/55/71/86/1027557186.db2.gz QQCCFVHMUWVUOP-JOCHJYFZSA-N 1 2 385.471 3.974 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Br)c(C)cn1 ZINC001276419443 1027590441 /nfs/dbraw/zinc/59/04/41/1027590441.db2.gz LROHQXKUVQEBJG-LJQANCHMSA-N 1 2 392.341 3.686 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(Br)c(C)cn1 ZINC001276419443 1027590457 /nfs/dbraw/zinc/59/04/57/1027590457.db2.gz LROHQXKUVQEBJG-LJQANCHMSA-N 1 2 392.341 3.686 20 30 GHEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2ccc(C#Cc3ccccc3)s2)CC1 ZINC001141977805 1027792812 /nfs/dbraw/zinc/79/28/12/1027792812.db2.gz PTPPXKFRYSMLDC-UHFFFAOYSA-N 1 2 378.497 3.817 20 30 GHEDLO C#CC[C@@H]1CCC[N@@H+](Cn2nc(COc3ccc(Cl)cc3)n(C)c2=S)C1 ZINC000842627049 1029429021 /nfs/dbraw/zinc/42/90/21/1029429021.db2.gz AZHUNADEASTFOV-OAHLLOKOSA-N 1 2 390.940 3.876 20 30 GHEDLO C#CC[C@@H]1CCC[N@H+](Cn2nc(COc3ccc(Cl)cc3)n(C)c2=S)C1 ZINC000842627049 1029429033 /nfs/dbraw/zinc/42/90/33/1029429033.db2.gz AZHUNADEASTFOV-OAHLLOKOSA-N 1 2 390.940 3.876 20 30 GHEDLO C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143164225 1029876565 /nfs/dbraw/zinc/87/65/65/1029876565.db2.gz BRDLJEYTMHQXNQ-ZIAGYGMSSA-N 1 2 379.451 3.962 20 30 GHEDLO C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143164225 1029876570 /nfs/dbraw/zinc/87/65/70/1029876570.db2.gz BRDLJEYTMHQXNQ-ZIAGYGMSSA-N 1 2 379.451 3.962 20 30 GHEDLO C=CCc1ccc(O)c(-c2cc(CC=C)ccc2O[C@@H]2C[NH2+][C@H](C(=O)OC)C2)c1 ZINC001218174518 1030808032 /nfs/dbraw/zinc/80/80/32/1030808032.db2.gz GKPLLMJNMUUREH-RXVVDRJESA-N 1 2 393.483 3.799 20 30 GHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)C(=O)/C=C\c2ccc(F)cc2)c(C)c1 ZINC001151918061 1031049968 /nfs/dbraw/zinc/04/99/68/1031049968.db2.gz NYGDOPKDIMYZKZ-PNWMKBJFSA-N 1 2 391.446 3.779 20 30 GHEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)C(=O)/C=C/c2ccc(F)cc2)c(C)c1 ZINC001151918063 1031050224 /nfs/dbraw/zinc/05/02/24/1031050224.db2.gz 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N#C[C@@H](Oc1nc(=O)[nH]c2c1CC[N@@H+](Cc1ccccc1)C2)c1ccccc1F ZINC001230185515 1033935054 /nfs/dbraw/zinc/93/50/54/1033935054.db2.gz FZNDEBKUZSHSND-HXUWFJFHSA-N 1 2 390.418 3.523 20 30 GHEDLO CCCOC(=O)c1cc(Cl)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c(Cl)c1 ZINC001230545728 1034114561 /nfs/dbraw/zinc/11/45/61/1034114561.db2.gz PTSANNHJGIICCE-HGXGPTJDSA-N 1 2 386.275 3.551 20 30 GHEDLO CCCOC(=O)c1cc(Cl)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c(Cl)c1 ZINC001230545728 1034114571 /nfs/dbraw/zinc/11/45/71/1034114571.db2.gz PTSANNHJGIICCE-HGXGPTJDSA-N 1 2 386.275 3.551 20 30 GHEDLO N#Cc1cnc(Cl)cc1N1CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1 ZINC001158808569 1034281400 /nfs/dbraw/zinc/28/14/00/1034281400.db2.gz GAZWJWUCYZXGDK-UHFFFAOYSA-N 1 2 386.858 3.531 20 30 GHEDLO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1ccnc(Br)c1F)C2 ZINC001232027707 1035050215 /nfs/dbraw/zinc/05/02/15/1035050215.db2.gz HXRLFRGJCLJZPT-YJBOKZPZSA-N 1 2 399.304 3.557 20 30 GHEDLO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1ccnc(Br)c1F)C2 ZINC001232027707 1035050220 /nfs/dbraw/zinc/05/02/20/1035050220.db2.gz HXRLFRGJCLJZPT-YJBOKZPZSA-N 1 2 399.304 3.557 20 30 GHEDLO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ccnc(Br)c1F)C2 ZINC001232027704 1035050495 /nfs/dbraw/zinc/05/04/95/1035050495.db2.gz HXRLFRGJCLJZPT-QAPCUYQASA-N 1 2 399.304 3.557 20 30 GHEDLO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ccnc(Br)c1F)C2 ZINC001232027704 1035050504 /nfs/dbraw/zinc/05/05/04/1035050504.db2.gz HXRLFRGJCLJZPT-QAPCUYQASA-N 1 2 399.304 3.557 20 30 GHEDLO C=CCOC[C@H]1C[N@@H+](Cc2ccnc(C(C)(C)C)c2)Cc2nnn(CC3CC3)c21 ZINC001232216344 1035166311 /nfs/dbraw/zinc/16/63/11/1035166311.db2.gz ZJHSRJGCCNQFDT-LJQANCHMSA-N 1 2 395.551 3.683 20 30 GHEDLO C=CCOC[C@H]1C[N@H+](Cc2ccnc(C(C)(C)C)c2)Cc2nnn(CC3CC3)c21 ZINC001232216344 1035166315 /nfs/dbraw/zinc/16/63/15/1035166315.db2.gz ZJHSRJGCCNQFDT-LJQANCHMSA-N 1 2 395.551 3.683 20 30 GHEDLO N#Cc1cc(-c2ccnc(-c3cccc(C[NH+]4CCOCC4)c3)n2)c(F)cc1F ZINC001241814944 1035706987 /nfs/dbraw/zinc/70/69/87/1035706987.db2.gz KEMFBQUTRMSQAO-UHFFFAOYSA-N 1 2 392.409 3.793 20 30 GHEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3ccc(OC)c(Cl)c3OC)C2)CC1 ZINC001248796621 1036164212 /nfs/dbraw/zinc/16/42/12/1036164212.db2.gz BPUQBGBDVDHYFU-UHFFFAOYSA-N 1 2 394.899 3.578 20 30 GHEDLO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3ccc(Cl)cc3C#N)C[C@@H]12 ZINC001232607368 1038390879 /nfs/dbraw/zinc/39/08/79/1038390879.db2.gz MQHCLFXKQKXNBG-DHIUTWEWSA-N 1 2 393.918 3.976 20 30 GHEDLO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@@H+](Cc3ccc(Cl)cc3C#N)C[C@@H]12 ZINC001232607368 1038390890 /nfs/dbraw/zinc/39/08/90/1038390890.db2.gz MQHCLFXKQKXNBG-DHIUTWEWSA-N 1 2 393.918 3.976 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@@H](C[N@H+](Cc2cc(C#N)ccc2O)C2CC2)C1 ZINC001232681030 1038478196 /nfs/dbraw/zinc/47/81/96/1038478196.db2.gz KDPAXVRBMHYZIJ-QGZVFWFLSA-N 1 2 385.508 3.875 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@@H](C[N@@H+](Cc2cc(C#N)ccc2O)C2CC2)C1 ZINC001232681030 1038478202 /nfs/dbraw/zinc/47/82/02/1038478202.db2.gz KDPAXVRBMHYZIJ-QGZVFWFLSA-N 1 2 385.508 3.875 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCO[C@]3(CCC[C@@H]3COCc3ccccn3)C2)s1 ZINC001232843281 1038594669 /nfs/dbraw/zinc/59/46/69/1038594669.db2.gz VAYUJTVAKGTELI-DYESRHJHSA-N 1 2 383.517 3.603 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCO[C@]3(CCC[C@@H]3COCc3ccccn3)C2)s1 ZINC001232843281 1038594670 /nfs/dbraw/zinc/59/46/70/1038594670.db2.gz VAYUJTVAKGTELI-DYESRHJHSA-N 1 2 383.517 3.603 20 30 GHEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001232891835 1038680698 /nfs/dbraw/zinc/68/06/98/1038680698.db2.gz UJPGOBUWUZUIDW-IFMALSPDSA-N 1 2 381.451 3.542 20 30 GHEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001232891835 1038680701 /nfs/dbraw/zinc/68/07/01/1038680701.db2.gz UJPGOBUWUZUIDW-IFMALSPDSA-N 1 2 381.451 3.542 20 30 GHEDLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccc(Br)c(C#N)c2)C1 ZINC001232898153 1038692772 /nfs/dbraw/zinc/69/27/72/1038692772.db2.gz AJNSBTALLVONNL-OAHLLOKOSA-N 1 2 394.313 3.762 20 30 GHEDLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccc(Br)c(C#N)c2)C1 ZINC001232898153 1038692779 /nfs/dbraw/zinc/69/27/79/1038692779.db2.gz AJNSBTALLVONNL-OAHLLOKOSA-N 1 2 394.313 3.762 20 30 GHEDLO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3ccc(F)c(O)c3F)CC2)C1 ZINC001232930675 1038713714 /nfs/dbraw/zinc/71/37/14/1038713714.db2.gz DADPRJMWRLHYAT-UHFFFAOYSA-N 1 2 380.435 3.671 20 30 GHEDLO CN(C)c1ccc(C[NH+]2CCC(n3c4ccccc4[nH]c3=O)CC2)c(F)c1C#N ZINC001233097955 1038875792 /nfs/dbraw/zinc/87/57/92/1038875792.db2.gz CVCHOYAKIOGQBN-UHFFFAOYSA-N 1 2 393.466 3.656 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cncc(Br)c1C ZINC001277768268 1038920695 /nfs/dbraw/zinc/92/06/95/1038920695.db2.gz IYBHSYJAKCFCAP-LJQANCHMSA-N 1 2 392.341 3.686 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cncc(Br)c1C ZINC001277768268 1038920698 /nfs/dbraw/zinc/92/06/98/1038920698.db2.gz IYBHSYJAKCFCAP-LJQANCHMSA-N 1 2 392.341 3.686 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@H+](Cc3c(F)cc(C#N)cc3F)C2)C1 ZINC001235652245 1041097180 /nfs/dbraw/zinc/09/71/80/1041097180.db2.gz UQJXQMRXCXIMQZ-HXUWFJFHSA-N 1 2 377.435 3.669 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@@H+](Cc3c(F)cc(C#N)cc3F)C2)C1 ZINC001235652245 1041097204 /nfs/dbraw/zinc/09/72/04/1041097204.db2.gz UQJXQMRXCXIMQZ-HXUWFJFHSA-N 1 2 377.435 3.669 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1nc3cc(F)ccc3[nH]1)CC2 ZINC001235688181 1041156638 /nfs/dbraw/zinc/15/66/38/1041156638.db2.gz IGGPQAOUXHSRQY-UHFFFAOYSA-N 1 2 395.482 3.569 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1nc3cc(F)ccc3[nH]1)CC2 ZINC001235688181 1041156655 /nfs/dbraw/zinc/15/66/55/1041156655.db2.gz IGGPQAOUXHSRQY-UHFFFAOYSA-N 1 2 395.482 3.569 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(OC(F)(F)F)ccc3N)CC2)c(F)c1 ZINC001236062558 1041517495 /nfs/dbraw/zinc/51/74/95/1041517495.db2.gz KDKPEUIWUKBBMV-UHFFFAOYSA-N 1 2 394.372 3.500 20 30 GHEDLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccc(C#N)c(Br)c2)C1 ZINC001236865195 1041934487 /nfs/dbraw/zinc/93/44/87/1041934487.db2.gz ZMXOYJBIXWMICC-OAHLLOKOSA-N 1 2 394.313 3.762 20 30 GHEDLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(Br)c2)C1 ZINC001236865195 1041934489 /nfs/dbraw/zinc/93/44/89/1041934489.db2.gz ZMXOYJBIXWMICC-OAHLLOKOSA-N 1 2 394.313 3.762 20 30 GHEDLO N#Cc1ccccc1N1CC[NH+](Cc2ccc(-n3ccnc3)cc2Cl)CC1 ZINC001236914357 1041954824 /nfs/dbraw/zinc/95/48/24/1041954824.db2.gz UXLMLNGUQYDUOC-UHFFFAOYSA-N 1 2 377.879 3.720 20 30 GHEDLO C=C(C)CNC(=O)[C@H]1CC12CC[NH+](Cc1c(F)cc(Cl)cc1OC)CC2 ZINC001278034525 1041972119 /nfs/dbraw/zinc/97/21/19/1041972119.db2.gz JTNMRFDZMPFQKV-MRXNPFEDSA-N 1 2 380.891 3.782 20 30 GHEDLO CC(C)(C)OC(=O)Nc1ccc(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)cc1F ZINC001237033911 1041997808 /nfs/dbraw/zinc/99/78/08/1041997808.db2.gz OFOHJRAAJFATHW-INIZCTEOSA-N 1 2 378.469 3.947 20 30 GHEDLO CC(C)(C)OC(=O)Nc1ccc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)cc1F ZINC001237033911 1041997812 /nfs/dbraw/zinc/99/78/12/1041997812.db2.gz OFOHJRAAJFATHW-INIZCTEOSA-N 1 2 378.469 3.947 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1ccccc1NC(=O)C(C)(C)C ZINC001237395752 1042188145 /nfs/dbraw/zinc/18/81/45/1042188145.db2.gz GRRCAEDULLICFB-FQEVSTJZSA-N 1 2 396.535 3.707 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccccc1NC(=O)C(C)(C)C ZINC001237395752 1042188149 /nfs/dbraw/zinc/18/81/49/1042188149.db2.gz GRRCAEDULLICFB-FQEVSTJZSA-N 1 2 396.535 3.707 20 30 GHEDLO N#Cc1cc(C[NH+]2CCC(n3cc(Br)cn3)CC2)c(F)cc1F ZINC001237531375 1042253396 /nfs/dbraw/zinc/25/33/96/1042253396.db2.gz LDVSQZLOTFDTGV-UHFFFAOYSA-N 1 2 381.224 3.633 20 30 GHEDLO COC(=O)C1(C#N)CC[NH+](Cc2sc3ccccc3c2Br)CC1 ZINC001237588369 1042274859 /nfs/dbraw/zinc/27/48/59/1042274859.db2.gz LTTRYDHTKVZSKK-UHFFFAOYSA-N 1 2 393.306 3.943 20 30 GHEDLO N#Cc1cccc(N2C[C@]3(CC[N@@H+](Cc4cc(F)c(O)c(Cl)c4)C3)CC2=O)c1 ZINC001237988419 1042445815 /nfs/dbraw/zinc/44/58/15/1042445815.db2.gz IAALOJUDAZBOFQ-OAQYLSRUSA-N 1 2 399.853 3.685 20 30 GHEDLO N#Cc1cccc(N2C[C@]3(CC[N@H+](Cc4cc(F)c(O)c(Cl)c4)C3)CC2=O)c1 ZINC001237988419 1042445818 /nfs/dbraw/zinc/44/58/18/1042445818.db2.gz IAALOJUDAZBOFQ-OAQYLSRUSA-N 1 2 399.853 3.685 20 30 GHEDLO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cc(Cl)c(O)cc3F)C2)C1 ZINC001238143995 1042502559 /nfs/dbraw/zinc/50/25/59/1042502559.db2.gz SBEUXQATHIJBJV-IBGZPJMESA-N 1 2 382.863 3.795 20 30 GHEDLO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](Cc3cc(Cl)c(O)cc3F)C2)C1 ZINC001238143995 1042502564 /nfs/dbraw/zinc/50/25/64/1042502564.db2.gz SBEUXQATHIJBJV-IBGZPJMESA-N 1 2 382.863 3.795 20 30 GHEDLO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3c(F)ccnc3Cl)C2)CC1 ZINC001238226681 1042525097 /nfs/dbraw/zinc/52/50/97/1042525097.db2.gz YVVDXDRBGVBQEN-UHFFFAOYSA-N 1 2 381.879 3.875 20 30 GHEDLO C=CCOC(=O)N1CCC2(CCC[N@H+](Cc3c(F)ccnc3Cl)C2)CC1 ZINC001238226681 1042525101 /nfs/dbraw/zinc/52/51/01/1042525101.db2.gz YVVDXDRBGVBQEN-UHFFFAOYSA-N 1 2 381.879 3.875 20 30 GHEDLO CCCCCCCCNC(=O)Nc1c2c(nn1C(=O)OCC)C(C)(C)[NH2+]C2 ZINC001239232618 1042792024 /nfs/dbraw/zinc/79/20/24/1042792024.db2.gz MLAWWSFZJYGXAJ-UHFFFAOYSA-N 1 2 379.505 3.708 20 30 GHEDLO N#CCCn1cc(C[N@@H+]2CCc3cc(F)cc(F)c3C2)c(-c2ccncc2)n1 ZINC001462673213 1070462113 /nfs/dbraw/zinc/46/21/13/1070462113.db2.gz LBSWVBUKZHLXIJ-UHFFFAOYSA-N 1 2 379.414 3.695 20 30 GHEDLO N#CCCn1cc(C[N@H+]2CCc3cc(F)cc(F)c3C2)c(-c2ccncc2)n1 ZINC001462673213 1070462125 /nfs/dbraw/zinc/46/21/25/1070462125.db2.gz LBSWVBUKZHLXIJ-UHFFFAOYSA-N 1 2 379.414 3.695 20 30 GHEDLO COC(=O)[C@H](Cc1ccc(C#N)cc1)[NH2+]C1CCC(OCc2ccccc2)CC1 ZINC001257828443 1044206839 /nfs/dbraw/zinc/20/68/39/1044206839.db2.gz CUQCMTRKHBUBGZ-VNXZQDSDSA-N 1 2 392.499 3.760 20 30 GHEDLO N#Cc1cc(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cs1 ZINC001261253400 1045941200 /nfs/dbraw/zinc/94/12/00/1045941200.db2.gz BCCUEYRXHUZZSQ-INIZCTEOSA-N 1 2 377.872 3.979 20 30 GHEDLO CC(C)Cn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@](F)(C#N)C1 ZINC001263418070 1046800445 /nfs/dbraw/zinc/80/04/45/1046800445.db2.gz VBZUMUGMTRDZLH-UWJYYQICSA-N 1 2 384.503 3.569 20 30 GHEDLO CC(C)Cn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@](F)(C#N)C1 ZINC001263418070 1046800468 /nfs/dbraw/zinc/80/04/68/1046800468.db2.gz VBZUMUGMTRDZLH-UWJYYQICSA-N 1 2 384.503 3.569 20 30 GHEDLO C[C@H]1CN(c2nnc(C3CC[NH+](CCC#N)CC3)n2Cc2cccs2)C[C@@H]1C ZINC001263489240 1046888523 /nfs/dbraw/zinc/88/85/23/1046888523.db2.gz KNJPPPULULEQCW-IRXDYDNUSA-N 1 2 398.580 3.573 20 30 GHEDLO C=CCCCC[N@H+]1CCOc2c(cc(Br)cc2C(=O)N(C)C)C1 ZINC001279719908 1047935036 /nfs/dbraw/zinc/93/50/36/1047935036.db2.gz KHTSXBNWUJIOSZ-UHFFFAOYSA-N 1 2 381.314 3.702 20 30 GHEDLO C=CCCCC[N@@H+]1CCOc2c(cc(Br)cc2C(=O)N(C)C)C1 ZINC001279719908 1047935042 /nfs/dbraw/zinc/93/50/42/1047935042.db2.gz KHTSXBNWUJIOSZ-UHFFFAOYSA-N 1 2 381.314 3.702 20 30 GHEDLO C=C(C)CN(CC)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001286582600 1048376664 /nfs/dbraw/zinc/37/66/64/1048376664.db2.gz AGDYQABYONEFDM-ZWKOTPCHSA-N 1 2 384.528 3.615 20 30 GHEDLO C=C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCc2cccc(C)[nH+]2)CC1 ZINC001286646046 1048412374 /nfs/dbraw/zinc/41/23/74/1048412374.db2.gz KMXMMXVFXNCEJC-LJQANCHMSA-N 1 2 381.524 3.665 20 30 GHEDLO C=CCCCCn1c(CC2CC2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001286690590 1048451259 /nfs/dbraw/zinc/45/12/59/1048451259.db2.gz MECBVXXXUPMOOZ-UHFFFAOYSA-N 1 2 380.540 3.611 20 30 GHEDLO C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCCc2cccc(C)[nH+]2)C1 ZINC001286806529 1048532828 /nfs/dbraw/zinc/53/28/28/1048532828.db2.gz DBFZJRHCCUPYDH-HXUWFJFHSA-N 1 2 397.567 3.984 20 30 GHEDLO CC(C)COC(=O)N1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001307445798 1049282134 /nfs/dbraw/zinc/28/21/34/1049282134.db2.gz IOBSTIBFGPTLJS-UHFFFAOYSA-N 1 2 382.426 3.857 20 30 GHEDLO CC(C)COC(=O)N1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001307445798 1049282150 /nfs/dbraw/zinc/28/21/50/1049282150.db2.gz IOBSTIBFGPTLJS-UHFFFAOYSA-N 1 2 382.426 3.857 20 30 GHEDLO Cc1ccc(N2CC[NH+]([C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)cc1C ZINC001307651357 1049477170 /nfs/dbraw/zinc/47/71/70/1049477170.db2.gz JHUWBLIYUQQHNX-QGZVFWFLSA-N 1 2 396.922 3.978 20 30 GHEDLO CC(C)OC(=O)c1ccc(C[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)cc1 ZINC001307674810 1049496948 /nfs/dbraw/zinc/49/69/48/1049496948.db2.gz IZUVREIVLWCQJL-JOCHJYFZSA-N 1 2 395.478 3.773 20 30 GHEDLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC001307987496 1049742089 /nfs/dbraw/zinc/74/20/89/1049742089.db2.gz NPZZVFSBTIIRGW-WFASDCNBSA-N 1 2 381.423 3.647 20 30 GHEDLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC001307987496 1049742097 /nfs/dbraw/zinc/74/20/97/1049742097.db2.gz NPZZVFSBTIIRGW-WFASDCNBSA-N 1 2 381.423 3.647 20 30 GHEDLO Cc1cn2c([nH+]1)[C@H](Cn1c(CC(C)(C)C)nnc1N(C)[C@H](C)CC#N)CCC2 ZINC001290288090 1049791687 /nfs/dbraw/zinc/79/16/87/1049791687.db2.gz WOZXWSVPQIRULK-SJORKVTESA-N 1 2 383.544 3.688 20 30 GHEDLO C=CC[C@H]1N(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCCC1(C)C ZINC001311347072 1052043982 /nfs/dbraw/zinc/04/39/82/1052043982.db2.gz CTTVJMNAPXXXTQ-NHCUHLMSSA-N 1 2 385.552 3.664 20 30 GHEDLO C=CC[C@H]1N(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCCC1(C)C ZINC001311347072 1052044010 /nfs/dbraw/zinc/04/40/10/1052044010.db2.gz CTTVJMNAPXXXTQ-NHCUHLMSSA-N 1 2 385.552 3.664 20 30 GHEDLO C#C[C@@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc(Cl)cc1 ZINC001311352650 1052049067 /nfs/dbraw/zinc/04/90/67/1052049067.db2.gz RCRNDQUVQJZIQS-HXUWFJFHSA-N 1 2 378.863 3.759 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC([C@@H]2CCCCO2)CC1 ZINC001342330503 1053110986 /nfs/dbraw/zinc/11/09/86/1053110986.db2.gz UMPHJDRRSPIWQE-PMACEKPBSA-N 1 2 387.572 3.797 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC([C@@H]2CCCCO2)CC1 ZINC001342330503 1053110989 /nfs/dbraw/zinc/11/09/89/1053110989.db2.gz UMPHJDRRSPIWQE-PMACEKPBSA-N 1 2 387.572 3.797 20 30 GHEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 ZINC001342341180 1053116390 /nfs/dbraw/zinc/11/63/90/1053116390.db2.gz LZBNAZFLLSRXLD-LJQANCHMSA-N 1 2 399.539 3.921 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)Cc1ccc(Cl)s1 ZINC001342686669 1053299985 /nfs/dbraw/zinc/29/99/85/1053299985.db2.gz WFTMAOXITDSTNB-UHFFFAOYSA-N 1 2 392.960 3.742 20 30 GHEDLO C=CCO[C@H]1CCN(c2nnc([C@@H](CC(C)C)n3cc[nH+]c3)n2CC(C)C)C1 ZINC001342965350 1053464137 /nfs/dbraw/zinc/46/41/37/1053464137.db2.gz CIYGQOWJPVNJQR-RBUKOAKNSA-N 1 2 386.544 3.547 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC[C@@H](OC(C)C)C1 ZINC001343578155 1053902574 /nfs/dbraw/zinc/90/25/74/1053902574.db2.gz UJJIUWJVLCWNJK-RTBURBONSA-N 1 2 386.544 3.690 20 30 GHEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+](C)[C@H]2CC[C@H](SC)C2)c1=S ZINC001318835727 1054908300 /nfs/dbraw/zinc/90/83/00/1054908300.db2.gz IAXPKOGGEMUIIF-HOTGVXAUSA-N 1 2 375.567 3.835 20 30 GHEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+](C)[C@H]2CC[C@H](SC)C2)c1=S ZINC001318835727 1054908306 /nfs/dbraw/zinc/90/83/06/1054908306.db2.gz IAXPKOGGEMUIIF-HOTGVXAUSA-N 1 2 375.567 3.835 20 30 GHEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1Cc2ccccc2C2(CCC2)C1 ZINC001322433104 1056700919 /nfs/dbraw/zinc/70/09/19/1056700919.db2.gz AZHZTPKUEUEMAH-UHFFFAOYSA-N 1 2 397.482 3.620 20 30 GHEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1Cc2ccccc2C2(CCC2)C1 ZINC001322433104 1056700931 /nfs/dbraw/zinc/70/09/31/1056700931.db2.gz AZHZTPKUEUEMAH-UHFFFAOYSA-N 1 2 397.482 3.620 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2C[C@@H]2CCCCC(F)(F)C2)CC1 ZINC001300683485 1056862779 /nfs/dbraw/zinc/86/27/79/1056862779.db2.gz OKOSAYVOTVTDLB-ZWKOTPCHSA-N 1 2 393.526 3.762 20 30 GHEDLO COc1cc[nH+]cc1Cn1c(N(CCC#N)CCC(C)C)nnc1C(C)(C)C ZINC001300701597 1056913710 /nfs/dbraw/zinc/91/37/10/1056913710.db2.gz DGNSEANGUWLOSV-UHFFFAOYSA-N 1 2 384.528 3.794 20 30 GHEDLO CN(C)c1ccc([NH+]2CCC(Nc3cccc(-n4cccn4)c3C#N)CC2)cc1 ZINC000848667725 1057231823 /nfs/dbraw/zinc/23/18/23/1057231823.db2.gz LLVBEIYKBQGJNA-UHFFFAOYSA-N 1 2 386.503 3.891 20 30 GHEDLO C=C[C@@H](COC)NC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC001325620430 1057346882 /nfs/dbraw/zinc/34/68/82/1057346882.db2.gz XVVJAJBUBHZFJI-NRFANRHFSA-N 1 2 390.487 3.599 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC001338896178 1058865535 /nfs/dbraw/zinc/86/55/35/1058865535.db2.gz QJSRSRUBCAHTOR-FXAWDEMLSA-N 1 2 397.571 3.851 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC001338896178 1058865551 /nfs/dbraw/zinc/86/55/51/1058865551.db2.gz QJSRSRUBCAHTOR-FXAWDEMLSA-N 1 2 397.571 3.851 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@H](c2cc(C(C)C)n[nH]2)C1 ZINC001338896178 1058865576 /nfs/dbraw/zinc/86/55/76/1058865576.db2.gz QJSRSRUBCAHTOR-FXAWDEMLSA-N 1 2 397.571 3.851 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@H](c2cc(C(C)C)n[nH]2)C1 ZINC001338896178 1058865595 /nfs/dbraw/zinc/86/55/95/1058865595.db2.gz QJSRSRUBCAHTOR-FXAWDEMLSA-N 1 2 397.571 3.851 20 30 GHEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1C[C@]2(C)COC[C@]2(C)C1 ZINC001338994520 1058917023 /nfs/dbraw/zinc/91/70/23/1058917023.db2.gz DRILGMURPLGHLM-YSZBQJHXSA-N 1 2 395.551 3.520 20 30 GHEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1C[C@]2(C)COC[C@]2(C)C1 ZINC001338994520 1058917027 /nfs/dbraw/zinc/91/70/27/1058917027.db2.gz DRILGMURPLGHLM-YSZBQJHXSA-N 1 2 395.551 3.520 20 30 GHEDLO CCCC[C@H](ON=C(C)C)C(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC001444346064 1059313403 /nfs/dbraw/zinc/31/34/03/1059313403.db2.gz JMEIPWFWIRCGAX-IBGZPJMESA-N 1 2 379.570 3.926 20 30 GHEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCC[C@H]1c1ccccc1 ZINC001340195220 1059754965 /nfs/dbraw/zinc/75/49/65/1059754965.db2.gz ITIZBSOCUSQBDJ-HKBOAZHASA-N 1 2 393.535 3.731 20 30 GHEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCC[C@H]1c1ccccc1 ZINC001340195220 1059754983 /nfs/dbraw/zinc/75/49/83/1059754983.db2.gz ITIZBSOCUSQBDJ-HKBOAZHASA-N 1 2 393.535 3.731 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@H]2CSC[C@H]2C1 ZINC001340491735 1059951130 /nfs/dbraw/zinc/95/11/30/1059951130.db2.gz KRFMPBJELFMYEL-YSIASYRMSA-N 1 2 397.592 3.846 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@H]2CSC[C@H]2C1 ZINC001340491735 1059951131 /nfs/dbraw/zinc/95/11/31/1059951131.db2.gz KRFMPBJELFMYEL-YSIASYRMSA-N 1 2 397.592 3.846 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001340926854 1060255782 /nfs/dbraw/zinc/25/57/82/1060255782.db2.gz CPPZNKPGCNHVCJ-OAHLLOKOSA-N 1 2 393.878 3.906 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001340926854 1060255807 /nfs/dbraw/zinc/25/58/07/1060255807.db2.gz CPPZNKPGCNHVCJ-OAHLLOKOSA-N 1 2 393.878 3.906 20 30 GHEDLO Cc1cc(C)c(C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c(C)[nH+]1 ZINC001448841453 1060279839 /nfs/dbraw/zinc/27/98/39/1060279839.db2.gz WFCIYFNHQMZLLP-IBGZPJMESA-N 1 2 382.895 3.683 20 30 GHEDLO C#C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccncc1)c1ccc(Cl)cc1F ZINC001341758569 1060869728 /nfs/dbraw/zinc/86/97/28/1060869728.db2.gz MWPGIKXRDOKONO-WOJBJXKFSA-N 1 2 385.870 3.719 20 30 GHEDLO C#C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1ccncc1)c1ccc(Cl)cc1F ZINC001341758569 1060869736 /nfs/dbraw/zinc/86/97/36/1060869736.db2.gz MWPGIKXRDOKONO-WOJBJXKFSA-N 1 2 385.870 3.719 20 30 GHEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N(CC1CC1)C1CCC1 ZINC001341909210 1060946865 /nfs/dbraw/zinc/94/68/65/1060946865.db2.gz YIGYYSXUGOCJFT-UHFFFAOYSA-N 1 2 382.556 3.716 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC001342225961 1061154107 /nfs/dbraw/zinc/15/41/07/1061154107.db2.gz SJZDQUMVBMXPOW-HSALFYBXSA-N 1 2 387.572 3.797 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC001342225961 1061154113 /nfs/dbraw/zinc/15/41/13/1061154113.db2.gz SJZDQUMVBMXPOW-HSALFYBXSA-N 1 2 387.572 3.797 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001346220554 1061459930 /nfs/dbraw/zinc/45/99/30/1061459930.db2.gz NXUFNWGPJXTLGH-NQIIRXRSSA-N 1 2 381.528 3.816 20 30 GHEDLO CCN(c1nnc(C2CC[NH+](CCC#N)CC2)n1Cc1cccs1)C(C)C ZINC001348391842 1063044781 /nfs/dbraw/zinc/04/47/81/1063044781.db2.gz MNXSQXOBMHHWRQ-UHFFFAOYSA-N 1 2 386.569 3.716 20 30 GHEDLO C=CCC[C@@H]1CCCN1c1nnc([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)n1CC1CC1 ZINC001351454028 1064455677 /nfs/dbraw/zinc/45/56/77/1064455677.db2.gz JCWJLKCFYIPFRF-AABGKKOBSA-N 1 2 385.556 3.549 20 30 GHEDLO C=CCC[C@@H]1CCCN1c1nnc([C@@H]2C[N@H+]3CCCC[C@H]3CO2)n1CC1CC1 ZINC001351454028 1064455681 /nfs/dbraw/zinc/45/56/81/1064455681.db2.gz JCWJLKCFYIPFRF-AABGKKOBSA-N 1 2 385.556 3.549 20 30 GHEDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3cc(C)c(C#N)c(C)c3)CC2)cc1 ZINC001463833569 1064657639 /nfs/dbraw/zinc/65/76/39/1064657639.db2.gz KHDFOAVKVNRZLN-UHFFFAOYSA-N 1 2 377.488 3.532 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@H](CC=C)c2ccccc2)CC1 ZINC001359028878 1067658417 /nfs/dbraw/zinc/65/84/17/1067658417.db2.gz HXLPHNLBPVAFRP-NRFANRHFSA-N 1 2 391.563 3.691 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2[C@@H]2C[C@H]2C)CC1 ZINC001359032232 1067659456 /nfs/dbraw/zinc/65/94/56/1067659456.db2.gz HBOMAWHQIVUNSB-CXAGYDPISA-N 1 2 390.318 3.588 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(C3CCCC3)n2CC(CC)(CC)SC)CC1 ZINC001359035126 1067659547 /nfs/dbraw/zinc/65/95/47/1067659547.db2.gz LQWKIHOLKYGJOQ-UHFFFAOYSA-N 1 2 389.613 3.613 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2CCCCC2)CC1 ZINC001359032336 1067659600 /nfs/dbraw/zinc/65/96/00/1067659600.db2.gz KREOYLSSYZVGHR-UHFFFAOYSA-N 1 2 397.954 3.934 20 30 GHEDLO C=C(C)CN(CC)c1nnc(-c2ccccn2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001359110730 1067689233 /nfs/dbraw/zinc/68/92/33/1067689233.db2.gz YXMMVNWUNTYUKF-UHFFFAOYSA-N 1 2 399.502 3.977 20 30 GHEDLO N#CCCC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1ccccc1 ZINC001460434538 1068963672 /nfs/dbraw/zinc/96/36/72/1068963672.db2.gz FHHCCFWHAVGBDJ-SFHVURJKSA-N 1 2 389.415 3.945 20 30 GHEDLO C[N@H+](CC(=O)NCC#N)Cc1ccc(Cl)cc1Oc1ccc(F)c(Cl)c1 ZINC001460746009 1069151185 /nfs/dbraw/zinc/15/11/85/1069151185.db2.gz DWQRRJMGHORGMP-UHFFFAOYSA-N 1 2 396.249 3.996 20 30 GHEDLO C[N@@H+](CC(=O)NCC#N)Cc1ccc(Cl)cc1Oc1ccc(F)c(Cl)c1 ZINC001460746009 1069151192 /nfs/dbraw/zinc/15/11/92/1069151192.db2.gz DWQRRJMGHORGMP-UHFFFAOYSA-N 1 2 396.249 3.996 20 30 GHEDLO CC(C)(C)OC1CCC(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC001471000507 1072875972 /nfs/dbraw/zinc/87/59/72/1072875972.db2.gz UJFQBWMXZHMCLR-UHFFFAOYSA-N 1 2 398.551 3.512 20 30 GHEDLO C[N@@H+]1CCO[C@@H]([C@@H](Nc2cc(C#N)sc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC001472746576 1073647457 /nfs/dbraw/zinc/64/74/57/1073647457.db2.gz AVZBVALDCKBNHJ-CVEARBPZSA-N 1 2 392.868 3.665 20 30 GHEDLO C[N@H+]1CCO[C@@H]([C@@H](Nc2cc(C#N)sc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC001472746576 1073647461 /nfs/dbraw/zinc/64/74/61/1073647461.db2.gz AVZBVALDCKBNHJ-CVEARBPZSA-N 1 2 392.868 3.665 20 30 GHEDLO C=CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC001473132128 1073795958 /nfs/dbraw/zinc/79/59/58/1073795958.db2.gz SUQNUWMLTNUSGZ-QGZVFWFLSA-N 1 2 385.471 3.964 20 30 GHEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC001473132128 1073795963 /nfs/dbraw/zinc/79/59/63/1073795963.db2.gz SUQNUWMLTNUSGZ-QGZVFWFLSA-N 1 2 385.471 3.964 20 30 GHEDLO CCN(CC)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC001473448963 1073968133 /nfs/dbraw/zinc/96/81/33/1073968133.db2.gz NVBHYGNLFZGQLS-KRWDZBQOSA-N 1 2 395.450 3.993 20 30 GHEDLO CCN(CC)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC001473448963 1073968136 /nfs/dbraw/zinc/96/81/36/1073968136.db2.gz NVBHYGNLFZGQLS-KRWDZBQOSA-N 1 2 395.450 3.993 20 30 GHEDLO Cc1nn(-c2ccccc2F)cc1C[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC001474728182 1074535928 /nfs/dbraw/zinc/53/59/28/1074535928.db2.gz RLVGHCDBJFZTFH-QFIPXVFZSA-N 1 2 376.435 3.765 20 30 GHEDLO Cc1nn(-c2ccccc2F)cc1C[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC001474728182 1074535935 /nfs/dbraw/zinc/53/59/35/1074535935.db2.gz RLVGHCDBJFZTFH-QFIPXVFZSA-N 1 2 376.435 3.765 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)c(C#N)c1C ZINC000247225080 837452290 /nfs/dbraw/zinc/45/22/90/837452290.db2.gz RPYMWUCKKNGITH-FXAWDEMLSA-N 1 2 395.503 3.819 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)c(C#N)c1C ZINC000247225080 837452300 /nfs/dbraw/zinc/45/23/00/837452300.db2.gz RPYMWUCKKNGITH-FXAWDEMLSA-N 1 2 395.503 3.819 20 30 GHEDLO C[C@@H](NC(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1)c1ccc(C#N)cc1 ZINC000598979403 837502418 /nfs/dbraw/zinc/50/24/18/837502418.db2.gz ZFCGSARDQPQJPF-QGZVFWFLSA-N 1 2 387.487 3.628 20 30 GHEDLO Cc1sc(NC(=O)C[NH+]2CCC(OCc3ccccc3)CC2)c(C#N)c1C ZINC000176996168 837698388 /nfs/dbraw/zinc/69/83/88/837698388.db2.gz BHQUOCUTTCIOTH-UHFFFAOYSA-N 1 2 383.517 3.856 20 30 GHEDLO Cc1cc(F)ccc1N1CCC[C@H]([NH+]2CCC(C#N)(c3ccccn3)CC2)C1=O ZINC000548798705 834506917 /nfs/dbraw/zinc/50/69/17/834506917.db2.gz PUEFCYDMFIFFKD-FQEVSTJZSA-N 1 2 392.478 3.582 20 30 GHEDLO COc1cc(C[N@H+](C)CC(=O)Nc2ccccc2SC[C@H](C)C#N)ccc1O ZINC000471163075 835291912 /nfs/dbraw/zinc/29/19/12/835291912.db2.gz YEEKHAKBGRJVHN-OAHLLOKOSA-N 1 2 399.516 3.723 20 30 GHEDLO COc1cc(C[N@@H+](C)CC(=O)Nc2ccccc2SC[C@H](C)C#N)ccc1O ZINC000471163075 835291917 /nfs/dbraw/zinc/29/19/17/835291917.db2.gz YEEKHAKBGRJVHN-OAHLLOKOSA-N 1 2 399.516 3.723 20 30 GHEDLO N#Cc1ccc(OCc2cccc(C(=O)NCCCNc3cccc[nH+]3)c2)cc1 ZINC000136204706 835331922 /nfs/dbraw/zinc/33/19/22/835331922.db2.gz VKNIMBVRILKACJ-UHFFFAOYSA-N 1 2 386.455 3.764 20 30 GHEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H](CCCC#N)c2ccccc2)CC1 ZINC000458795647 835582455 /nfs/dbraw/zinc/58/24/55/835582455.db2.gz CUBZUPAXCLNSKV-KNQAVFIVSA-N 1 2 391.519 3.905 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)[C@H](C#N)CCc2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000433384667 844094559 /nfs/dbraw/zinc/09/45/59/844094559.db2.gz WPEJNXKQQPKLPY-YYWHXJBOSA-N 1 2 383.442 3.599 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)[C@H](C#N)CCc2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000433384667 844094570 /nfs/dbraw/zinc/09/45/70/844094570.db2.gz WPEJNXKQQPKLPY-YYWHXJBOSA-N 1 2 383.442 3.599 20 30 GHEDLO N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccn4cc[nH+]c4c3)cn2)cc1 ZINC000610772856 844180090 /nfs/dbraw/zinc/18/00/90/844180090.db2.gz MSINMAZVVWJNSF-UHFFFAOYSA-N 1 2 384.399 3.715 20 30 GHEDLO Cc1cc([C@H]2C[N@H+](Cc3cn(C)nc3-c3ccc(C#N)cc3)CCO2)ccc1F ZINC000180194561 836636986 /nfs/dbraw/zinc/63/69/86/836636986.db2.gz CVBPCCIGHBXDMZ-JOCHJYFZSA-N 1 2 390.462 3.980 20 30 GHEDLO Cc1cc([C@H]2C[N@@H+](Cc3cn(C)nc3-c3ccc(C#N)cc3)CCO2)ccc1F ZINC000180194561 836636992 /nfs/dbraw/zinc/63/69/92/836636992.db2.gz CVBPCCIGHBXDMZ-JOCHJYFZSA-N 1 2 390.462 3.980 20 30 GHEDLO Cc1c[nH+]c(N2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)nc1N1CCCC1 ZINC001167150999 836639709 /nfs/dbraw/zinc/63/97/09/836639709.db2.gz DFGLKOQRVANBGB-UHFFFAOYSA-N 1 2 397.910 3.958 20 30 GHEDLO C[C@H](N1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1)C(F)(F)F ZINC000093882745 844205647 /nfs/dbraw/zinc/20/56/47/844205647.db2.gz MFYYERSGVRAUKO-INIZCTEOSA-N 1 2 391.441 3.532 20 30 GHEDLO N#CC1(F)CC[NH+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000510938078 844220086 /nfs/dbraw/zinc/22/00/86/844220086.db2.gz QIOXEQAJYGTVRM-MRXNPFEDSA-N 1 2 383.389 3.524 20 30 GHEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)C1=O ZINC000580456368 837361951 /nfs/dbraw/zinc/36/19/51/837361951.db2.gz XQMKSGFXEHEIGJ-IAGOWNOFSA-N 1 2 387.892 3.532 20 30 GHEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)C1=O ZINC000580456368 837361962 /nfs/dbraw/zinc/36/19/62/837361962.db2.gz XQMKSGFXEHEIGJ-IAGOWNOFSA-N 1 2 387.892 3.532 20 30 GHEDLO N#Cc1ccc(OCc2cccc(C(=O)N3CCC(c4c[nH]c[nH+]4)CC3)c2)cc1 ZINC000378068774 838366686 /nfs/dbraw/zinc/36/66/86/838366686.db2.gz ADUGUEQOEJOSOO-UHFFFAOYSA-N 1 2 386.455 3.880 20 30 GHEDLO N#Cc1ccc(OCc2cccc(C(=O)N3CCC(c4c[nH+]c[nH]4)CC3)c2)cc1 ZINC000378068774 838366694 /nfs/dbraw/zinc/36/66/94/838366694.db2.gz ADUGUEQOEJOSOO-UHFFFAOYSA-N 1 2 386.455 3.880 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c1c(F)cccc1F ZINC000610341031 838563606 /nfs/dbraw/zinc/56/36/06/838563606.db2.gz NCANVEQMFPPQLH-HUUCEWRRSA-N 1 2 387.430 3.959 20 30 GHEDLO CCOc1ccc(C[NH+]2CCN(C(=O)N[C@@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000610355843 838653874 /nfs/dbraw/zinc/65/38/74/838653874.db2.gz ZNQXNBJQSBMIHY-SFHVURJKSA-N 1 2 392.503 3.545 20 30 GHEDLO C=CCOc1ccc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1OC ZINC000120219868 838812231 /nfs/dbraw/zinc/81/22/31/838812231.db2.gz PMDPGUFJIYCCPN-UHFFFAOYSA-N 1 2 381.476 3.575 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+]2CC[C@@H](c3ccccc3)[C@H]2C)c1=S ZINC000162746079 840341690 /nfs/dbraw/zinc/34/16/90/840341690.db2.gz PZMPNGOSHHTOKV-SJLPKXTDSA-N 1 2 392.532 3.893 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+]2CC[C@@H](c3ccccc3)[C@H]2C)c1=S ZINC000162746079 840341702 /nfs/dbraw/zinc/34/17/02/840341702.db2.gz PZMPNGOSHHTOKV-SJLPKXTDSA-N 1 2 392.532 3.893 20 30 GHEDLO N#CCCC1CC[NH+](Cc2nc(Cc3cccc(Br)c3)no2)CC1 ZINC000584778249 840836128 /nfs/dbraw/zinc/83/61/28/840836128.db2.gz SEISSECZTFOYDM-UHFFFAOYSA-N 1 2 389.297 3.939 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2Cc3ccccc3OC[C@@H]2C)cc1 ZINC000543872124 841008723 /nfs/dbraw/zinc/00/87/23/841008723.db2.gz LNBMJGAWJIRLEE-SFHVURJKSA-N 1 2 393.487 3.615 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2Cc3ccccc3OC[C@@H]2C)cc1 ZINC000543872124 841008729 /nfs/dbraw/zinc/00/87/29/841008729.db2.gz LNBMJGAWJIRLEE-SFHVURJKSA-N 1 2 393.487 3.615 20 30 GHEDLO C[C@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)C[C@H](O)COc1ccccc1C#N ZINC000599434051 861204229 /nfs/dbraw/zinc/20/42/29/861204229.db2.gz PTGWGIRQIXUCAN-CJNGLKHVSA-N 1 2 384.867 3.521 20 30 GHEDLO C[C@H](c1nc2ccc(Cl)cc2[nH]1)[N@@H+](C)C[C@H](O)COc1ccccc1C#N ZINC000599434051 861204248 /nfs/dbraw/zinc/20/42/48/861204248.db2.gz PTGWGIRQIXUCAN-CJNGLKHVSA-N 1 2 384.867 3.521 20 30 GHEDLO C[C@@H](c1nc2ccccc2s1)N1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000603838564 861229159 /nfs/dbraw/zinc/22/91/59/861229159.db2.gz RWUNILAZWHDVBZ-KRWDZBQOSA-N 1 2 392.528 3.926 20 30 GHEDLO N#Cc1cccc(NC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)n1 ZINC000570160795 842265771 /nfs/dbraw/zinc/26/57/71/842265771.db2.gz LQSFHSWCDCMGCX-INIZCTEOSA-N 1 2 387.846 3.704 20 30 GHEDLO Cc1cc(N(CCC#N)C(=O)C[NH+]2CCC3(CCCC3=O)CC2)ccc1Cl ZINC000661954048 842390576 /nfs/dbraw/zinc/39/05/76/842390576.db2.gz HNIIEEZXMGTRJL-UHFFFAOYSA-N 1 2 387.911 3.730 20 30 GHEDLO N#CCCC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000487371651 842461352 /nfs/dbraw/zinc/46/13/52/842461352.db2.gz LPMKCLXVAVZQDO-SFHVURJKSA-N 1 2 389.415 3.945 20 30 GHEDLO O=C(N[C@@H]1CCOc2ccc(Br)cc21)[C@H]1CCn2c[nH+]cc2C1 ZINC000328936422 843025199 /nfs/dbraw/zinc/02/51/99/843025199.db2.gz QTMFCNYANXSYNW-XHDPSFHLSA-N 1 2 376.254 3.688 20 30 GHEDLO Cc1cc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cnc1N1CCCC[C@@H]1C ZINC000329407147 861380720 /nfs/dbraw/zinc/38/07/20/861380720.db2.gz ZOLRPRAZYMYIRS-ZWKOTPCHSA-N 1 2 394.523 3.769 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000512228643 843149982 /nfs/dbraw/zinc/14/99/82/843149982.db2.gz OORYVROFXGGQRP-IBGZPJMESA-N 1 2 384.520 3.976 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000512228643 843149989 /nfs/dbraw/zinc/14/99/89/843149989.db2.gz OORYVROFXGGQRP-IBGZPJMESA-N 1 2 384.520 3.976 20 30 GHEDLO CC(F)(F)c1ccc(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000432576351 843198071 /nfs/dbraw/zinc/19/80/71/843198071.db2.gz CMPYDGYUPIYRSY-UHFFFAOYSA-N 1 2 398.457 3.697 20 30 GHEDLO N#Cc1ccccc1COc1cccc(C(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000178371762 843348546 /nfs/dbraw/zinc/34/85/46/843348546.db2.gz OIQLIZVFVKWMAT-UHFFFAOYSA-N 1 2 382.423 3.715 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCOC[C@@H](C4CCC4)C3)n2)C1 ZINC000330270592 843352332 /nfs/dbraw/zinc/35/23/32/843352332.db2.gz ULLCQCOKIGDBES-WBVHZDCISA-N 1 2 392.569 3.669 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCOC[C@@H](C4CCC4)C3)n2)C1 ZINC000330270592 843352341 /nfs/dbraw/zinc/35/23/41/843352341.db2.gz ULLCQCOKIGDBES-WBVHZDCISA-N 1 2 392.569 3.669 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000512451390 843841302 /nfs/dbraw/zinc/84/13/02/843841302.db2.gz ZFGSTUVXXYEEQF-AWEZNQCLSA-N 1 2 387.867 3.702 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000512451390 843841310 /nfs/dbraw/zinc/84/13/10/843841310.db2.gz ZFGSTUVXXYEEQF-AWEZNQCLSA-N 1 2 387.867 3.702 20 30 GHEDLO COC1(C(F)(F)F)CC[NH+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000419310651 843970533 /nfs/dbraw/zinc/97/05/33/843970533.db2.gz CSUOBHVDMSLNLJ-UHFFFAOYSA-N 1 2 397.441 3.593 20 30 GHEDLO Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNc2c(C#N)cnc3c(Cl)cccc32)cn1 ZINC000573717174 844652693 /nfs/dbraw/zinc/65/26/93/844652693.db2.gz BSSNMXMEIAMILT-HOTGVXAUSA-N 1 2 398.873 3.518 20 30 GHEDLO Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNc2c(C#N)cnc3c(Cl)cccc32)cn1 ZINC000573717174 844652697 /nfs/dbraw/zinc/65/26/97/844652697.db2.gz BSSNMXMEIAMILT-HOTGVXAUSA-N 1 2 398.873 3.518 20 30 GHEDLO C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000329491245 861537220 /nfs/dbraw/zinc/53/72/20/861537220.db2.gz VLBZCBXTJTYBLW-BBWFWOEESA-N 1 2 380.492 3.852 20 30 GHEDLO C=CCOc1cccc(C[NH+]2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c1 ZINC000512735460 845243112 /nfs/dbraw/zinc/24/31/12/845243112.db2.gz OGPSHUHHMNGIRH-UHFFFAOYSA-N 1 2 375.472 3.691 20 30 GHEDLO COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C[N@@H+]1CC[C@H](F)[C@@H](O)C1 ZINC001143421891 845289252 /nfs/dbraw/zinc/28/92/52/845289252.db2.gz MWBDCZRADVQDOU-RYUDHWBXSA-N 1 2 375.284 3.638 20 30 GHEDLO COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C[N@H+]1CC[C@H](F)[C@@H](O)C1 ZINC001143421891 845289267 /nfs/dbraw/zinc/28/92/67/845289267.db2.gz MWBDCZRADVQDOU-RYUDHWBXSA-N 1 2 375.284 3.638 20 30 GHEDLO N#Cc1cnn2cc(C[N@H+]3CCC[C@@H]3c3cccc(Br)c3)cnc12 ZINC000563154079 845484535 /nfs/dbraw/zinc/48/45/35/845484535.db2.gz FRNMPZPXGGWZPH-QGZVFWFLSA-N 1 2 382.265 3.701 20 30 GHEDLO N#Cc1cnn2cc(C[N@@H+]3CCC[C@@H]3c3cccc(Br)c3)cnc12 ZINC000563154079 845484541 /nfs/dbraw/zinc/48/45/41/845484541.db2.gz FRNMPZPXGGWZPH-QGZVFWFLSA-N 1 2 382.265 3.701 20 30 GHEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3ccc(C#N)c(Cl)c3)CC2)c1 ZINC000548631744 845959368 /nfs/dbraw/zinc/95/93/68/845959368.db2.gz FPNAJUUGDKZOHU-HNNXBMFYSA-N 1 2 383.879 3.739 20 30 GHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)CCc1ccc(Br)cc1 ZINC000435053640 846429735 /nfs/dbraw/zinc/42/97/35/846429735.db2.gz UDCFYHJIKICFKS-GOSISDBHSA-N 1 2 387.277 3.709 20 30 GHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCc1ccc(Br)cc1 ZINC000435053640 846429740 /nfs/dbraw/zinc/42/97/40/846429740.db2.gz UDCFYHJIKICFKS-GOSISDBHSA-N 1 2 387.277 3.709 20 30 GHEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000473536182 846505729 /nfs/dbraw/zinc/50/57/29/846505729.db2.gz YFWYLOXHLSNYDT-YLJYHZDGSA-N 1 2 382.907 3.789 20 30 GHEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000473536182 846505734 /nfs/dbraw/zinc/50/57/34/846505734.db2.gz YFWYLOXHLSNYDT-YLJYHZDGSA-N 1 2 382.907 3.789 20 30 GHEDLO N#CC1(CNC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CCC1 ZINC000419417586 846545642 /nfs/dbraw/zinc/54/56/42/846545642.db2.gz HVNGEMXQSFPTFD-INIZCTEOSA-N 1 2 378.879 3.609 20 30 GHEDLO C=CCn1c(SCc2cccc(C[NH+]3CCOCC3)c2)nnc1-c1ccco1 ZINC000421846984 846635399 /nfs/dbraw/zinc/63/53/99/846635399.db2.gz VOZRHVRWTFNJHP-UHFFFAOYSA-N 1 2 396.516 3.849 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)CCC#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000501824551 847211664 /nfs/dbraw/zinc/21/16/64/847211664.db2.gz MCPLFABYILCBRJ-FUHWJXTLSA-N 1 2 396.457 3.868 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)NCC(C)(C)CCC#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000501824551 847211667 /nfs/dbraw/zinc/21/16/67/847211667.db2.gz MCPLFABYILCBRJ-FUHWJXTLSA-N 1 2 396.457 3.868 20 30 GHEDLO C[C@@H](CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1F ZINC000501827227 847218734 /nfs/dbraw/zinc/21/87/34/847218734.db2.gz HZSKUXUXLFCKLV-INIZCTEOSA-N 1 2 383.442 3.674 20 30 GHEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000329637928 861859460 /nfs/dbraw/zinc/85/94/60/861859460.db2.gz YVTBUVJHSSBASK-SJKOYZFVSA-N 1 2 395.290 3.561 20 30 GHEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000329637928 861859481 /nfs/dbraw/zinc/85/94/81/861859481.db2.gz YVTBUVJHSSBASK-SJKOYZFVSA-N 1 2 395.290 3.561 20 30 GHEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000511189538 848196545 /nfs/dbraw/zinc/19/65/45/848196545.db2.gz XAQDCLUXJNPLSP-IBGZPJMESA-N 1 2 378.303 3.891 20 30 GHEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000511189538 848196548 /nfs/dbraw/zinc/19/65/48/848196548.db2.gz XAQDCLUXJNPLSP-IBGZPJMESA-N 1 2 378.303 3.891 20 30 GHEDLO CC[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@@H](C)[S@]1=O ZINC000582752362 848281872 /nfs/dbraw/zinc/28/18/72/848281872.db2.gz RZFYWHPUAPECSH-UKPISFLSSA-N 1 2 382.529 3.869 20 30 GHEDLO CC[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@@H](C)[S@]1=O ZINC000582752362 848281884 /nfs/dbraw/zinc/28/18/84/848281884.db2.gz RZFYWHPUAPECSH-UKPISFLSSA-N 1 2 382.529 3.869 20 30 GHEDLO CSc1nc(C[N@@H+]2CCC[C@@](C)(NC(=O)OC(C)(C)C)C2)ccc1C#N ZINC001141929651 862005931 /nfs/dbraw/zinc/00/59/31/862005931.db2.gz ZUJNQXJVRJRKOM-LJQANCHMSA-N 1 2 376.526 3.554 20 30 GHEDLO CSc1nc(C[N@H+]2CCC[C@@](C)(NC(=O)OC(C)(C)C)C2)ccc1C#N ZINC001141929651 862005944 /nfs/dbraw/zinc/00/59/44/862005944.db2.gz ZUJNQXJVRJRKOM-LJQANCHMSA-N 1 2 376.526 3.554 20 30 GHEDLO C=CCSc1nc2ccccc2n1C[NH+]1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000728560522 849571075 /nfs/dbraw/zinc/57/10/75/849571075.db2.gz QFFUENWUDUCONG-UHFFFAOYSA-N 1 2 397.548 3.695 20 30 GHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(Cc2ccc(OC)cc2)CC1 ZINC000434846755 849831286 /nfs/dbraw/zinc/83/12/86/849831286.db2.gz RZWSSGBSUFSLMT-JOCHJYFZSA-N 1 2 378.472 3.736 20 30 GHEDLO COc1cc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)cc1C ZINC000434894267 849863822 /nfs/dbraw/zinc/86/38/22/849863822.db2.gz FBDDHIRBSHOCNE-UHFFFAOYSA-N 1 2 378.476 3.533 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000434985535 849973862 /nfs/dbraw/zinc/97/38/62/849973862.db2.gz BHXPDPOATQBFHH-XMMPIXPASA-N 1 2 385.515 3.872 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429160406 862089072 /nfs/dbraw/zinc/08/90/72/862089072.db2.gz GYHHFEMATHWUDZ-ZWKOTPCHSA-N 1 2 393.487 3.613 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429160406 862089083 /nfs/dbraw/zinc/08/90/83/862089083.db2.gz GYHHFEMATHWUDZ-ZWKOTPCHSA-N 1 2 393.487 3.613 20 30 GHEDLO N#C[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1cccc(C(F)(F)F)c1 ZINC000518847794 850215620 /nfs/dbraw/zinc/21/56/20/850215620.db2.gz DLKPNOUIMHCVNZ-SFHVURJKSA-N 1 2 384.361 3.945 20 30 GHEDLO Cc1ccc(C(C)C)c(OCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000017843339 850299331 /nfs/dbraw/zinc/29/93/31/850299331.db2.gz WPOAWLBFLJDYBB-UHFFFAOYSA-N 1 2 391.515 3.713 20 30 GHEDLO C[C@@H](c1cccc(NC(=O)C2(c3ccc(C#N)cc3)CC2)c1)[NH+]1CCOCC1 ZINC000473560680 850361939 /nfs/dbraw/zinc/36/19/39/850361939.db2.gz FMDOKZZJORLPOW-KRWDZBQOSA-N 1 2 375.472 3.622 20 30 GHEDLO C#CCOc1ccc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)cc1 ZINC000732433677 862290136 /nfs/dbraw/zinc/29/01/36/862290136.db2.gz NPSALOSLMFZWNG-QGZVFWFLSA-N 1 2 399.441 3.763 20 30 GHEDLO C#CCOc1ccc(NC(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)cc1 ZINC000732433677 862290148 /nfs/dbraw/zinc/29/01/48/862290148.db2.gz NPSALOSLMFZWNG-QGZVFWFLSA-N 1 2 399.441 3.763 20 30 GHEDLO COc1ccc2c(c1)C1(CC1)C[N@H+]([C@H](C)C(=O)Nc1ccc3c(c1)OCCO3)C2 ZINC000329786129 862320694 /nfs/dbraw/zinc/32/06/94/862320694.db2.gz QLNVIYJDGUVHGN-OAHLLOKOSA-N 1 2 394.471 3.990 20 30 GHEDLO COc1ccc2c(c1)C1(CC1)C[N@@H+]([C@H](C)C(=O)Nc1ccc3c(c1)OCCO3)C2 ZINC000329786129 862320710 /nfs/dbraw/zinc/32/07/10/862320710.db2.gz QLNVIYJDGUVHGN-OAHLLOKOSA-N 1 2 394.471 3.990 20 30 GHEDLO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[N@@H+]3CCC[C@H]3CO)sc2C1 ZINC000426998365 852618206 /nfs/dbraw/zinc/61/82/06/852618206.db2.gz PWSNVJQDOLUJFM-GJZGRUSLSA-N 1 2 389.565 3.556 20 30 GHEDLO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[N@H+]3CCC[C@H]3CO)sc2C1 ZINC000426998365 852618212 /nfs/dbraw/zinc/61/82/12/852618212.db2.gz PWSNVJQDOLUJFM-GJZGRUSLSA-N 1 2 389.565 3.556 20 30 GHEDLO CC(C)(O)[C@@H]1CCCN1C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000329862231 862380189 /nfs/dbraw/zinc/38/01/89/862380189.db2.gz YLOKECLXTWQROY-IRXDYDNUSA-N 1 2 397.922 3.765 20 30 GHEDLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc(C#N)c1C ZINC000509183274 862405174 /nfs/dbraw/zinc/40/51/74/862405174.db2.gz GGVYMQKNSBGNQO-HXOBKFHXSA-N 1 2 390.531 3.943 20 30 GHEDLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc(C#N)c1C ZINC000509183274 862405176 /nfs/dbraw/zinc/40/51/76/862405176.db2.gz GGVYMQKNSBGNQO-HXOBKFHXSA-N 1 2 390.531 3.943 20 30 GHEDLO Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000329953700 862452736 /nfs/dbraw/zinc/45/27/36/862452736.db2.gz NKNYGVXLZNPJAZ-VMXMFDLUSA-N 1 2 382.508 3.909 20 30 GHEDLO Cc1ccc([C@@H]2OCCC[C@@H]2[NH+]=C([O-])N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000329953700 862452741 /nfs/dbraw/zinc/45/27/41/862452741.db2.gz NKNYGVXLZNPJAZ-VMXMFDLUSA-N 1 2 382.508 3.909 20 30 GHEDLO N#CCc1ccc(CNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1 ZINC000571161135 853775578 /nfs/dbraw/zinc/77/55/78/853775578.db2.gz CORXLGJKZPDSHZ-YADHBBJMSA-N 1 2 385.471 3.677 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1C#N)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000441331505 854117882 /nfs/dbraw/zinc/11/78/82/854117882.db2.gz OIKHFSMNDTTYFJ-IAGOWNOFSA-N 1 2 396.922 3.917 20 30 GHEDLO O=C(Nc1cnc2c(c1)CCCC2)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000328648220 854488517 /nfs/dbraw/zinc/48/85/17/854488517.db2.gz IBDATTKGYJKCME-QGZVFWFLSA-N 1 2 379.508 3.918 20 30 GHEDLO O=C(N[C@@H]1CCOc2c(Br)cccc21)[C@@H]1CCn2cc[nH+]c2C1 ZINC000328652852 854490919 /nfs/dbraw/zinc/49/09/19/854490919.db2.gz KSTLKKIOUKHCOW-BXUZGUMPSA-N 1 2 376.254 3.688 20 30 GHEDLO Cc1nc([C@@H]2CCCN(C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)C2)sc1C ZINC000328748649 854527107 /nfs/dbraw/zinc/52/71/07/854527107.db2.gz QOJHNYZZXMXWOF-IAGOWNOFSA-N 1 2 385.537 3.527 20 30 GHEDLO Cn1nc(C(C)(C)C)cc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000328953465 854615168 /nfs/dbraw/zinc/61/51/68/854615168.db2.gz MLMSKQLWAPKTEO-YJBOKZPZSA-N 1 2 376.451 3.746 20 30 GHEDLO Cn1nc(C(C)(C)C)cc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000328953465 854615170 /nfs/dbraw/zinc/61/51/70/854615170.db2.gz MLMSKQLWAPKTEO-YJBOKZPZSA-N 1 2 376.451 3.746 20 30 GHEDLO C[C@@H]1C[N@H+](CC(=O)NCC2(c3ccccc3)CCCC2)C[C@]2(CCCOC2)O1 ZINC000330126877 862597868 /nfs/dbraw/zinc/59/78/68/862597868.db2.gz MPIUEFPQOMQDFK-XXBNENTESA-N 1 2 386.536 3.725 20 30 GHEDLO C[C@@H]1C[N@@H+](CC(=O)NCC2(c3ccccc3)CCCC2)C[C@]2(CCCOC2)O1 ZINC000330126877 862597878 /nfs/dbraw/zinc/59/78/78/862597878.db2.gz MPIUEFPQOMQDFK-XXBNENTESA-N 1 2 386.536 3.725 20 30 GHEDLO Cc1nsc(N2CC[NH+]([C@@H](C)c3ccc(OC(F)F)cc3)CC2)c1C#N ZINC000589285114 854784394 /nfs/dbraw/zinc/78/43/94/854784394.db2.gz BDZUDBPNURUHKB-ZDUSSCGKSA-N 1 2 378.448 3.808 20 30 GHEDLO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330139486 862607504 /nfs/dbraw/zinc/60/75/04/862607504.db2.gz WHUFVNGUCKDFGK-HBUWYVDXSA-N 1 2 397.313 3.696 20 30 GHEDLO C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330139486 862607510 /nfs/dbraw/zinc/60/75/10/862607510.db2.gz WHUFVNGUCKDFGK-HBUWYVDXSA-N 1 2 397.313 3.696 20 30 GHEDLO N#Cc1ccc(C[NH2+]Cc2c(Br)cncc2Br)c(F)c1 ZINC000589505121 854912035 /nfs/dbraw/zinc/91/20/35/854912035.db2.gz RHEMKPYTYQWJRX-UHFFFAOYSA-N 1 2 399.061 3.907 20 30 GHEDLO C=CCc1ccccc1OC[C@@H](O)C[NH2+]C1(c2noc(C)n2)CCCCCC1 ZINC000157907401 862619987 /nfs/dbraw/zinc/61/99/87/862619987.db2.gz WNGYEIVQWWRTPX-IBGZPJMESA-N 1 2 385.508 3.686 20 30 GHEDLO C[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(-n2cccn2)c(F)c1 ZINC000590195579 855317731 /nfs/dbraw/zinc/31/77/31/855317731.db2.gz GENODZFMXRGKJA-AWEZNQCLSA-N 1 2 388.406 3.784 20 30 GHEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000055891000 855423345 /nfs/dbraw/zinc/42/33/45/855423345.db2.gz MZRDJUZUSOAZJB-UHFFFAOYSA-N 1 2 392.415 3.618 20 30 GHEDLO COc1cc(C[N@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)ccc1SC ZINC000441530688 855585066 /nfs/dbraw/zinc/58/50/66/855585066.db2.gz BJYSMHGLEZUZOC-UHFFFAOYSA-N 1 2 380.473 3.971 20 30 GHEDLO COc1cc(C[N@@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)ccc1SC ZINC000441530688 855585068 /nfs/dbraw/zinc/58/50/68/855585068.db2.gz BJYSMHGLEZUZOC-UHFFFAOYSA-N 1 2 380.473 3.971 20 30 GHEDLO CC(C)(C)n1ncc2c1nc[nH+]c2NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000301910115 855779507 /nfs/dbraw/zinc/77/95/07/855779507.db2.gz BNWISHVZQPRVDN-UHFFFAOYSA-N 1 2 391.479 3.650 20 30 GHEDLO C[N@@H+]1CCO[C@H]([C@@H](Nc2ccc([N+](=O)[O-])cc2C#N)c2ccc(Cl)cc2)C1 ZINC000301903256 855779628 /nfs/dbraw/zinc/77/96/28/855779628.db2.gz XDKFWEDABHOINB-OALUTQOASA-N 1 2 386.839 3.604 20 30 GHEDLO C[N@H+]1CCO[C@H]([C@@H](Nc2ccc([N+](=O)[O-])cc2C#N)c2ccc(Cl)cc2)C1 ZINC000301903256 855779636 /nfs/dbraw/zinc/77/96/36/855779636.db2.gz XDKFWEDABHOINB-OALUTQOASA-N 1 2 386.839 3.604 20 30 GHEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CCC(c3ccncc3)CC1)C2 ZINC000330287883 862724635 /nfs/dbraw/zinc/72/46/35/862724635.db2.gz BJHKPHUHCQXTRH-SFHVURJKSA-N 1 2 381.524 3.684 20 30 GHEDLO CSc1nc(C2CC2)cc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1C#N ZINC000485176620 856176693 /nfs/dbraw/zinc/17/66/93/856176693.db2.gz WYEMMIKOYSLCER-UHFFFAOYSA-N 1 2 375.457 3.991 20 30 GHEDLO C[C@H](Oc1ccccc1C#N)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000109581819 856331449 /nfs/dbraw/zinc/33/14/49/856331449.db2.gz PTKRGTVUTIQFLI-INIZCTEOSA-N 1 2 390.443 3.580 20 30 GHEDLO C=CCOc1ccc(C(=O)N(Cc2ccccc2)[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000110878798 856693740 /nfs/dbraw/zinc/69/37/40/856693740.db2.gz YMLKWNSZDQNPHA-HXUWFJFHSA-N 1 2 394.515 3.615 20 30 GHEDLO N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000428000961 856996253 /nfs/dbraw/zinc/99/62/53/856996253.db2.gz NIYDNHOXNKFKCN-HNNXBMFYSA-N 1 2 392.846 3.945 20 30 GHEDLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1F ZINC000027212723 857659227 /nfs/dbraw/zinc/65/92/27/857659227.db2.gz VMJGJBUEPOWACO-GFCCVEGCSA-N 1 2 387.480 3.715 20 30 GHEDLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1F ZINC000027212723 857659234 /nfs/dbraw/zinc/65/92/34/857659234.db2.gz VMJGJBUEPOWACO-GFCCVEGCSA-N 1 2 387.480 3.715 20 30 GHEDLO CC(C)CCN(CCC#N)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000428250025 857819010 /nfs/dbraw/zinc/81/90/10/857819010.db2.gz XDFJWPREYJOHHA-UHFFFAOYSA-N 1 2 391.585 3.575 20 30 GHEDLO C[N@H+](CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)Cc1ccc(C#N)cc1 ZINC000046527437 858047655 /nfs/dbraw/zinc/04/76/55/858047655.db2.gz MMOBUZNHIGFCQU-UHFFFAOYSA-N 1 2 379.794 3.884 20 30 GHEDLO C[N@@H+](CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)Cc1ccc(C#N)cc1 ZINC000046527437 858047663 /nfs/dbraw/zinc/04/76/63/858047663.db2.gz MMOBUZNHIGFCQU-UHFFFAOYSA-N 1 2 379.794 3.884 20 30 GHEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000575054386 858506651 /nfs/dbraw/zinc/50/66/51/858506651.db2.gz VZIUFROOWHBBFB-KRWDZBQOSA-N 1 2 375.472 3.575 20 30 GHEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000575054386 858506655 /nfs/dbraw/zinc/50/66/55/858506655.db2.gz VZIUFROOWHBBFB-KRWDZBQOSA-N 1 2 375.472 3.575 20 30 GHEDLO CC[C@@H](OCC[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1)c1ccccc1 ZINC000593017852 858537030 /nfs/dbraw/zinc/53/70/30/858537030.db2.gz FUAMCZPOXWZPSG-HXUWFJFHSA-N 1 2 380.492 3.714 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H](CC#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000595572721 858556971 /nfs/dbraw/zinc/55/69/71/858556971.db2.gz MGDOAJXOMWMMNJ-JVPBZIDWSA-N 1 2 392.906 3.950 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H](CC#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000595572721 858556975 /nfs/dbraw/zinc/55/69/75/858556975.db2.gz MGDOAJXOMWMMNJ-JVPBZIDWSA-N 1 2 392.906 3.950 20 30 GHEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCc3ccc(Cl)c(Cl)c3C2)cc1 ZINC000595659287 858640825 /nfs/dbraw/zinc/64/08/25/858640825.db2.gz ZXJTWMYFDPTOAA-MRXNPFEDSA-N 1 2 391.298 3.857 20 30 GHEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCc3ccc(Cl)c(Cl)c3C2)cc1 ZINC000595659287 858640830 /nfs/dbraw/zinc/64/08/30/858640830.db2.gz ZXJTWMYFDPTOAA-MRXNPFEDSA-N 1 2 391.298 3.857 20 30 GHEDLO CCCc1nc(C)c(C[NH+]2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)o1 ZINC000595735464 858669705 /nfs/dbraw/zinc/66/97/05/858669705.db2.gz TWMSYRVTOPCDKI-UHFFFAOYSA-N 1 2 390.491 3.520 20 30 GHEDLO N#Cc1cccc(C2([NH2+]Cc3nc(-c4ccc(F)cc4)no3)CCOCC2)c1 ZINC000595775431 858683299 /nfs/dbraw/zinc/68/32/99/858683299.db2.gz WDIXJLWLFLZGLS-UHFFFAOYSA-N 1 2 378.407 3.543 20 30 GHEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H]2c2ccc(Br)cc2)cc1 ZINC000595845553 858693132 /nfs/dbraw/zinc/69/31/32/858693132.db2.gz OZGQDALPTVNAKO-HKUYNNGSSA-N 1 2 387.277 3.507 20 30 GHEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H]2c2ccc(Br)cc2)cc1 ZINC000595845553 858693137 /nfs/dbraw/zinc/69/31/37/858693137.db2.gz OZGQDALPTVNAKO-HKUYNNGSSA-N 1 2 387.277 3.507 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](CO)c2cccc(Cl)c2Cl)c(C#N)c1C ZINC000595827958 858701339 /nfs/dbraw/zinc/70/13/39/858701339.db2.gz GEJOMUHHJLBIBG-ZUZCIYMTSA-N 1 2 396.274 3.725 20 30 GHEDLO C[C@@H](C#N)C[N@H+](C)CCOc1c(Br)cccc1Br ZINC000482680255 858768131 /nfs/dbraw/zinc/76/81/31/858768131.db2.gz PSCVVKFFUHHTQT-JTQLQIEISA-N 1 2 376.092 3.682 20 30 GHEDLO C[C@@H](C#N)C[N@@H+](C)CCOc1c(Br)cccc1Br ZINC000482680255 858768137 /nfs/dbraw/zinc/76/81/37/858768137.db2.gz PSCVVKFFUHHTQT-JTQLQIEISA-N 1 2 376.092 3.682 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCC2(C#N)CCCCC2)C[C@H](C)O1 ZINC000596696711 859012926 /nfs/dbraw/zinc/01/29/26/859012926.db2.gz GRWHUJIJOJJQAV-HDICACEKSA-N 1 2 384.524 3.891 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCC2(C#N)CCCCC2)C[C@H](C)O1 ZINC000596696711 859012930 /nfs/dbraw/zinc/01/29/30/859012930.db2.gz GRWHUJIJOJJQAV-HDICACEKSA-N 1 2 384.524 3.891 20 30 GHEDLO C=CCCSCCNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000596701894 859018055 /nfs/dbraw/zinc/01/80/55/859018055.db2.gz ZDRIGFKRYCRAMD-CALCHBBNSA-N 1 2 377.554 3.727 20 30 GHEDLO C=CCCSCCNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000596701894 859018063 /nfs/dbraw/zinc/01/80/63/859018063.db2.gz ZDRIGFKRYCRAMD-CALCHBBNSA-N 1 2 377.554 3.727 20 30 GHEDLO N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1F ZINC000429343426 859095010 /nfs/dbraw/zinc/09/50/10/859095010.db2.gz CWRKRFRBDLAVRF-MRXNPFEDSA-N 1 2 391.406 3.823 20 30 GHEDLO Cc1ccoc1C[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000429368657 859167776 /nfs/dbraw/zinc/16/77/76/859167776.db2.gz ANXRFINATURNEE-UHFFFAOYSA-N 1 2 390.487 3.997 20 30 GHEDLO Cc1ccoc1C[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000429368657 859167782 /nfs/dbraw/zinc/16/77/82/859167782.db2.gz ANXRFINATURNEE-UHFFFAOYSA-N 1 2 390.487 3.997 20 30 GHEDLO C[N@H+](Cc1cn(-c2cccc(Br)c2)nn1)Cc1ccc(CC#N)cc1 ZINC000483350826 859305185 /nfs/dbraw/zinc/30/51/85/859305185.db2.gz YRDLMVRUIDZTRN-UHFFFAOYSA-N 1 2 396.292 3.728 20 30 GHEDLO C[N@@H+](Cc1cn(-c2cccc(Br)c2)nn1)Cc1ccc(CC#N)cc1 ZINC000483350826 859305191 /nfs/dbraw/zinc/30/51/91/859305191.db2.gz YRDLMVRUIDZTRN-UHFFFAOYSA-N 1 2 396.292 3.728 20 30 GHEDLO COCC[N@H+](CC(=O)N[C@@H](C)c1ccccc1Cl)Cc1ccc(C#N)cc1 ZINC000069072196 859329044 /nfs/dbraw/zinc/32/90/44/859329044.db2.gz OBOIRCIGCFZPAY-INIZCTEOSA-N 1 2 385.895 3.537 20 30 GHEDLO COCC[N@@H+](CC(=O)N[C@@H](C)c1ccccc1Cl)Cc1ccc(C#N)cc1 ZINC000069072196 859329056 /nfs/dbraw/zinc/32/90/56/859329056.db2.gz OBOIRCIGCFZPAY-INIZCTEOSA-N 1 2 385.895 3.537 20 30 GHEDLO C=C[C@](C)(CCOC)C(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000474155250 859354927 /nfs/dbraw/zinc/35/49/27/859354927.db2.gz QTZPSNNRKSJSIG-NLWGTHIKSA-N 1 2 382.907 3.959 20 30 GHEDLO C=C[C@](C)(CCOC)C(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000474155250 859354929 /nfs/dbraw/zinc/35/49/29/859354929.db2.gz QTZPSNNRKSJSIG-NLWGTHIKSA-N 1 2 382.907 3.959 20 30 GHEDLO Cn1cc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)c(C2CCCCC2)n1 ZINC000543395445 859540132 /nfs/dbraw/zinc/54/01/32/859540132.db2.gz ZPWUBBHPBFMNRA-JOCHJYFZSA-N 1 2 377.536 3.850 20 30 GHEDLO N#Cc1ccc(CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)c(F)c1 ZINC000611141113 859624060 /nfs/dbraw/zinc/62/40/60/859624060.db2.gz MVJKQZVZWDIOGL-UHFFFAOYSA-N 1 2 387.418 3.934 20 30 GHEDLO C=CCn1c(=S)n(CN2CCC[C@H](n3cc[nH+]c3)C2)nc1-c1cccs1 ZINC000765016860 859744944 /nfs/dbraw/zinc/74/49/44/859744944.db2.gz ZLJNLYPUMISQEL-HNNXBMFYSA-N 1 2 386.550 3.820 20 30 GHEDLO C[C@@H](CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C(=O)c1ccccc1 ZINC000602074509 859755141 /nfs/dbraw/zinc/75/51/41/859755141.db2.gz VTBLJQJSJKLDIH-IBGZPJMESA-N 1 2 389.499 3.502 20 30 GHEDLO C[C@@H](CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)C(=O)c1ccccc1 ZINC000602074509 859755146 /nfs/dbraw/zinc/75/51/46/859755146.db2.gz VTBLJQJSJKLDIH-IBGZPJMESA-N 1 2 389.499 3.502 20 30 GHEDLO CC[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1F ZINC000593451302 859856527 /nfs/dbraw/zinc/85/65/27/859856527.db2.gz KZVLPVNSBKIKRV-NRFANRHFSA-N 1 2 380.467 3.676 20 30 GHEDLO COc1ccc(CN(c2cc[nH+]cc2)S(=O)(=O)c2cccc(C)c2C#N)cc1 ZINC000092254217 860015666 /nfs/dbraw/zinc/01/56/66/860015666.db2.gz SXBRWPUPIGWGGZ-UHFFFAOYSA-N 1 2 393.468 3.666 20 30 GHEDLO COc1cc(Br)c(CO[NH+]=C(N)c2ccc(Cl)cc2)cc1OC ZINC000727487441 860114405 /nfs/dbraw/zinc/11/44/05/860114405.db2.gz VCAISOJGHGBHJX-UHFFFAOYSA-N 1 2 399.672 3.957 20 30 GHEDLO Cn1c2ccccc2nc1C[N@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000093363898 860258936 /nfs/dbraw/zinc/25/89/36/860258936.db2.gz WJARSPNWSUTRAV-UHFFFAOYSA-N 1 2 384.487 3.982 20 30 GHEDLO Cn1c2ccccc2nc1C[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000093363898 860258945 /nfs/dbraw/zinc/25/89/45/860258945.db2.gz WJARSPNWSUTRAV-UHFFFAOYSA-N 1 2 384.487 3.982 20 30 GHEDLO COc1cc(C[N@H+](C)Cc2cnc3ccc(C#N)cn23)c(SC)cc1OC ZINC000093611261 860317154 /nfs/dbraw/zinc/31/71/54/860317154.db2.gz GHIJDGDJUXUMLG-UHFFFAOYSA-N 1 2 382.489 3.577 20 30 GHEDLO COc1cc(C[N@@H+](C)Cc2cnc3ccc(C#N)cn23)c(SC)cc1OC ZINC000093611261 860317163 /nfs/dbraw/zinc/31/71/63/860317163.db2.gz GHIJDGDJUXUMLG-UHFFFAOYSA-N 1 2 382.489 3.577 20 30 GHEDLO C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602910468 860343978 /nfs/dbraw/zinc/34/39/78/860343978.db2.gz SFHPBQXAVBHEPO-ZDUSSCGKSA-N 1 2 386.858 3.952 20 30 GHEDLO Cc1c(N[NH+]=Cc2cc3ccccc3nc2N2CCOCC2)cccc1[N+](=O)[O-] ZINC000727973080 860346023 /nfs/dbraw/zinc/34/60/23/860346023.db2.gz QAHSRLGXZBJUSU-UHFFFAOYSA-N 1 2 391.431 3.734 20 30 GHEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000552230600 860398161 /nfs/dbraw/zinc/39/81/61/860398161.db2.gz MYTHMAHFWQAASW-WOIUINJBSA-N 1 2 392.503 3.896 20 30 GHEDLO COc1ccc(CC2CC[NH+](CC(=O)Nc3oc(C)c(C)c3C#N)CC2)cc1 ZINC000155175498 860427339 /nfs/dbraw/zinc/42/73/39/860427339.db2.gz NHDVMILARDHCBA-UHFFFAOYSA-N 1 2 381.476 3.670 20 30 GHEDLO C=CCn1c(=S)n(C[N@H+](C[C@H]2CCOC2)C2CC2)nc1-c1cccs1 ZINC000153022349 881546225 /nfs/dbraw/zinc/54/62/25/881546225.db2.gz MSAUZGLSUZEXOG-CQSZACIVSA-N 1 2 376.551 3.787 20 30 GHEDLO C=CCn1c(=S)n(C[N@@H+](C[C@H]2CCOC2)C2CC2)nc1-c1cccs1 ZINC000153022349 881546385 /nfs/dbraw/zinc/54/63/85/881546385.db2.gz MSAUZGLSUZEXOG-CQSZACIVSA-N 1 2 376.551 3.787 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)cc1Cl ZINC000469472585 860593811 /nfs/dbraw/zinc/59/38/11/860593811.db2.gz NISAAQXRXKIHQN-ZDUSSCGKSA-N 1 2 375.806 3.918 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)cc1Cl ZINC000469472585 860593821 /nfs/dbraw/zinc/59/38/21/860593821.db2.gz NISAAQXRXKIHQN-ZDUSSCGKSA-N 1 2 375.806 3.918 20 30 GHEDLO N#Cc1cc(Cl)ccc1C[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000428998791 860645908 /nfs/dbraw/zinc/64/59/08/860645908.db2.gz UNUBMSOGNKYQIG-INIZCTEOSA-N 1 2 383.648 3.936 20 30 GHEDLO NC(=[NH+]OCC(=O)Nc1ccccc1)c1ccc(OCc2ccccc2)cc1 ZINC000138969969 860800562 /nfs/dbraw/zinc/80/05/62/860800562.db2.gz KXYSAVQNRGZVOB-UHFFFAOYSA-N 1 2 375.428 3.541 20 30 GHEDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@@H+]1CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000329147533 861066970 /nfs/dbraw/zinc/06/69/70/861066970.db2.gz PBJKDDBMSNJJAQ-SFTDATJTSA-N 1 2 396.535 3.834 20 30 GHEDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@H+]1CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000329147533 861066988 /nfs/dbraw/zinc/06/69/88/861066988.db2.gz PBJKDDBMSNJJAQ-SFTDATJTSA-N 1 2 396.535 3.834 20 30 GHEDLO Cc1sc(NC(=O)C[NH2+][C@H](c2ccccc2)c2ccccn2)c(C#N)c1C ZINC000096981619 861076263 /nfs/dbraw/zinc/07/62/63/861076263.db2.gz GQYDODTZDLUIBN-HXUWFJFHSA-N 1 2 376.485 3.949 20 30 GHEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)CCC(=O)N1C1CC1 ZINC000329188843 861118078 /nfs/dbraw/zinc/11/80/78/861118078.db2.gz PLVRRCKAPUNWPE-RFXGOZDISA-N 1 2 396.535 3.788 20 30 GHEDLO C#CC[N@@H+](CC(=O)N(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1)C1CC1 ZINC000763956417 861137730 /nfs/dbraw/zinc/13/77/30/861137730.db2.gz NOLLXMXVAZLJQJ-GOSISDBHSA-N 1 2 389.499 3.556 20 30 GHEDLO C#CC[N@H+](CC(=O)N(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1)C1CC1 ZINC000763956417 861137735 /nfs/dbraw/zinc/13/77/35/861137735.db2.gz NOLLXMXVAZLJQJ-GOSISDBHSA-N 1 2 389.499 3.556 20 30 GHEDLO C#CCOc1ccccc1C[NH2+][C@@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000734157397 864061267 /nfs/dbraw/zinc/06/12/67/864061267.db2.gz BHQPMTCPSWUQKE-XMMPIXPASA-N 1 2 384.479 3.846 20 30 GHEDLO NC(=[NH+]OCCCOc1ccc(F)cc1)c1ccc(OCc2cccnc2)cc1 ZINC000072046984 864364075 /nfs/dbraw/zinc/36/40/75/864364075.db2.gz LBBYBALSFKEMAW-UHFFFAOYSA-N 1 2 395.434 3.906 20 30 GHEDLO COc1ccc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cc1OC ZINC000475332854 864822375 /nfs/dbraw/zinc/82/23/75/864822375.db2.gz HWWASWFIFFXYTG-LJQANCHMSA-N 1 2 385.895 3.740 20 30 GHEDLO CCCN(CC)c1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000063500674 864867389 /nfs/dbraw/zinc/86/73/89/864867389.db2.gz WSIHTDPQBZTAOO-UHFFFAOYSA-N 1 2 390.531 3.753 20 30 GHEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCCCOc3ccc(F)cc3)c2)n1 ZINC000063510175 864885953 /nfs/dbraw/zinc/88/59/53/864885953.db2.gz ZEOSKKCRTCJBQA-UHFFFAOYSA-N 1 2 396.466 3.793 20 30 GHEDLO CCOc1ccccc1C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000172168295 865510579 /nfs/dbraw/zinc/51/05/79/865510579.db2.gz VTCTVQOQQHJCCL-KRWDZBQOSA-N 1 2 383.467 3.992 20 30 GHEDLO CCOc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000172168295 865510586 /nfs/dbraw/zinc/51/05/86/865510586.db2.gz VTCTVQOQQHJCCL-KRWDZBQOSA-N 1 2 383.467 3.992 20 30 GHEDLO N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000428345051 865593028 /nfs/dbraw/zinc/59/30/28/865593028.db2.gz BGLWEEZTXPUMBL-GOSISDBHSA-N 1 2 388.496 3.792 20 30 GHEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000739904288 865825086 /nfs/dbraw/zinc/82/50/86/865825086.db2.gz QTTCCWQTMLZRJF-PXNSSMCTSA-N 1 2 375.428 3.793 20 30 GHEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000739904288 865825098 /nfs/dbraw/zinc/82/50/98/865825098.db2.gz QTTCCWQTMLZRJF-PXNSSMCTSA-N 1 2 375.428 3.793 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)C(C)(C)Cc2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000456026741 866036369 /nfs/dbraw/zinc/03/63/69/866036369.db2.gz XEHBBIZSSZCWGY-SFTDATJTSA-N 1 2 397.469 3.967 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)C(C)(C)Cc2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000456026741 866036386 /nfs/dbraw/zinc/03/63/86/866036386.db2.gz XEHBBIZSSZCWGY-SFTDATJTSA-N 1 2 397.469 3.967 20 30 GHEDLO CC[C@@H]1C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CCN1CC(F)F ZINC000153332007 866362297 /nfs/dbraw/zinc/36/22/97/866362297.db2.gz JGOKPRWQBVQNGX-OAHLLOKOSA-N 1 2 376.369 3.598 20 30 GHEDLO CC[C@@H]1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CCN1CC(F)F ZINC000153332007 866362310 /nfs/dbraw/zinc/36/23/10/866362310.db2.gz JGOKPRWQBVQNGX-OAHLLOKOSA-N 1 2 376.369 3.598 20 30 GHEDLO CC(C)c1ccc(S(=O)(=O)N2CC[NH+](CCCCC(C)(C)C#N)CC2)cc1 ZINC000444588003 866931393 /nfs/dbraw/zinc/93/13/93/866931393.db2.gz CEWLFXWFNLMXBL-UHFFFAOYSA-N 1 2 391.581 3.836 20 30 GHEDLO C#CCOc1ccc(Br)cc1C[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000742718112 867529764 /nfs/dbraw/zinc/52/97/64/867529764.db2.gz KTIOKMNWFRGDOC-UHFFFAOYSA-N 1 2 396.288 3.937 20 30 GHEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H]2c2cc(OC)ccc2OC)c1C#N ZINC000535219971 868394118 /nfs/dbraw/zinc/39/41/18/868394118.db2.gz LDIOCJJXOMRLEO-HXUWFJFHSA-N 1 2 380.444 3.699 20 30 GHEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@@H]2c2cc(OC)ccc2OC)c1C#N ZINC000535219971 868394131 /nfs/dbraw/zinc/39/41/31/868394131.db2.gz LDIOCJJXOMRLEO-HXUWFJFHSA-N 1 2 380.444 3.699 20 30 GHEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000155284000 868474676 /nfs/dbraw/zinc/47/46/76/868474676.db2.gz HLZNVEKLDMPMBF-NRFANRHFSA-N 1 2 375.451 3.598 20 30 GHEDLO CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc(C[NH+](CC)CC)cc2)n1 ZINC000554006254 868590852 /nfs/dbraw/zinc/59/08/52/868590852.db2.gz GEBUGIZSPJKEFF-MRXNPFEDSA-N 1 2 385.489 3.652 20 30 GHEDLO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000744410830 868819316 /nfs/dbraw/zinc/81/93/16/868819316.db2.gz URSFWZDXNVMQHZ-YWZLYKJASA-N 1 2 376.435 3.642 20 30 GHEDLO C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000744410830 868819329 /nfs/dbraw/zinc/81/93/29/868819329.db2.gz URSFWZDXNVMQHZ-YWZLYKJASA-N 1 2 376.435 3.642 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@H](C)c2cccc(C#N)c2)[C@@H](C)C1 ZINC000462432415 869405337 /nfs/dbraw/zinc/40/53/37/869405337.db2.gz ZTPVZAIIZFPYBZ-RBUKOAKNSA-N 1 2 391.515 3.793 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@H](C)c2cccc(C#N)c2)[C@@H](C)C1 ZINC000462432415 869405344 /nfs/dbraw/zinc/40/53/44/869405344.db2.gz ZTPVZAIIZFPYBZ-RBUKOAKNSA-N 1 2 391.515 3.793 20 30 GHEDLO COc1ccc2c(c1)C[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H](c1ccccc1)C2 ZINC000121977849 882360221 /nfs/dbraw/zinc/36/02/21/882360221.db2.gz BEECUCMDWPTDPJ-VWNXMTODSA-N 1 2 391.515 3.849 20 30 GHEDLO COc1ccc2c(c1)C[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H](c1ccccc1)C2 ZINC000121977849 882360237 /nfs/dbraw/zinc/36/02/37/882360237.db2.gz BEECUCMDWPTDPJ-VWNXMTODSA-N 1 2 391.515 3.849 20 30 GHEDLO C=CCOc1ccccc1CN(C(=O)[C@@H]1C[N@H+](C)CCO1)c1ccc(C)c(C)c1 ZINC000746244451 870137060 /nfs/dbraw/zinc/13/70/60/870137060.db2.gz OFFHQKMGDQMXPG-QHCPKHFHSA-N 1 2 394.515 3.732 20 30 GHEDLO C=CCOc1ccccc1CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)c1ccc(C)c(C)c1 ZINC000746244451 870137065 /nfs/dbraw/zinc/13/70/65/870137065.db2.gz OFFHQKMGDQMXPG-QHCPKHFHSA-N 1 2 394.515 3.732 20 30 GHEDLO CCOC(=O)[C@@H](c1ccc(Cl)cc1)[N@H+](CC)C[C@H](O)CC1(C#N)CCC1 ZINC001192525131 870486734 /nfs/dbraw/zinc/48/67/34/870486734.db2.gz IIALQUBXIITOMR-QZTJIDSGSA-N 1 2 378.900 3.711 20 30 GHEDLO CCOC(=O)[C@@H](c1ccc(Cl)cc1)[N@@H+](CC)C[C@H](O)CC1(C#N)CCC1 ZINC001192525131 870486743 /nfs/dbraw/zinc/48/67/43/870486743.db2.gz IIALQUBXIITOMR-QZTJIDSGSA-N 1 2 378.900 3.711 20 30 GHEDLO CCOc1ccc([C@H](C)[NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)cc1OC ZINC000540368376 871093177 /nfs/dbraw/zinc/09/31/77/871093177.db2.gz CHPPNBNRYKBESA-AWEZNQCLSA-N 1 2 378.432 3.866 20 30 GHEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000462033400 871514015 /nfs/dbraw/zinc/51/40/15/871514015.db2.gz VWCBLDJSPQRONC-ROUUACIJSA-N 1 2 377.488 3.576 20 30 GHEDLO C[NH+]1CCN(c2ccc(C(=O)Nc3ccc(F)c(CC#N)c3)cc2Cl)CC1 ZINC001194692175 871891303 /nfs/dbraw/zinc/89/13/03/871891303.db2.gz IKCSDCDZRNGROE-UHFFFAOYSA-N 1 2 386.858 3.549 20 30 GHEDLO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000767017308 872172917 /nfs/dbraw/zinc/17/29/17/872172917.db2.gz GJJLEVRHKQUMQD-GDIGMMSISA-N 1 2 385.533 3.998 20 30 GHEDLO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000767017308 872172933 /nfs/dbraw/zinc/17/29/33/872172933.db2.gz GJJLEVRHKQUMQD-GDIGMMSISA-N 1 2 385.533 3.998 20 30 GHEDLO C=CC[N@H+](Cc1cnc(C(F)(F)F)s1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000447737396 872226948 /nfs/dbraw/zinc/22/69/48/872226948.db2.gz ROPSIMYCYJLRMO-LBPRGKRZSA-N 1 2 394.426 3.887 20 30 GHEDLO C=CC[N@@H+](Cc1cnc(C(F)(F)F)s1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000447737396 872226961 /nfs/dbraw/zinc/22/69/61/872226961.db2.gz ROPSIMYCYJLRMO-LBPRGKRZSA-N 1 2 394.426 3.887 20 30 GHEDLO COc1ccc(Cn2nc(C)c(C=NNc3cc[nH+]c4ccccc34)c2C)cc1 ZINC000767376650 872467372 /nfs/dbraw/zinc/46/73/72/872467372.db2.gz CIKXNPOIEYAQFV-UHFFFAOYSA-N 1 2 385.471 3.973 20 30 GHEDLO Cn1cc([C@@H]([NH2+]Cc2ccc(C#N)cc2OC(F)F)c2ccc(F)cc2)cn1 ZINC000478303616 872826304 /nfs/dbraw/zinc/82/63/04/872826304.db2.gz CNIGXNNJJIKWRS-IBGZPJMESA-N 1 2 386.377 3.911 20 30 GHEDLO N#Cc1ccc(CNC(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1Cl ZINC000619788595 873027802 /nfs/dbraw/zinc/02/78/02/873027802.db2.gz UZPRKDNSSIIXNG-UHFFFAOYSA-N 1 2 395.850 3.809 20 30 GHEDLO N#CCc1cccc2c1CC[N@@H+](Cc1cc3c(c(Br)c1)OCO3)C2 ZINC001196623720 873264350 /nfs/dbraw/zinc/26/43/50/873264350.db2.gz UIAYKWHTMNPVJY-UHFFFAOYSA-N 1 2 385.261 3.802 20 30 GHEDLO N#CCc1cccc2c1CC[N@H+](Cc1cc3c(c(Br)c1)OCO3)C2 ZINC001196623720 873264358 /nfs/dbraw/zinc/26/43/58/873264358.db2.gz UIAYKWHTMNPVJY-UHFFFAOYSA-N 1 2 385.261 3.802 20 30 GHEDLO COCC[N@H+](Cc1cncs1)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000448367901 873277471 /nfs/dbraw/zinc/27/74/71/873277471.db2.gz SCKGKMTZPOVSQG-UHFFFAOYSA-N 1 2 381.505 3.569 20 30 GHEDLO COCC[N@@H+](Cc1cncs1)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000448367901 873277482 /nfs/dbraw/zinc/27/74/82/873277482.db2.gz SCKGKMTZPOVSQG-UHFFFAOYSA-N 1 2 381.505 3.569 20 30 GHEDLO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)c1ccc(C(F)(F)F)c(C#N)n1 ZINC000443514612 873432588 /nfs/dbraw/zinc/43/25/88/873432588.db2.gz YKDHZHNWTDTXSP-HNNXBMFYSA-N 1 2 396.438 3.543 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CC[C@@H]3c3ccc(F)cc3)CC2)cc1 ZINC000527684464 873490338 /nfs/dbraw/zinc/49/03/38/873490338.db2.gz KEYQNORAMFACIG-YADHBBJMSA-N 1 2 377.463 3.535 20 30 GHEDLO C#C[C@@H]([NH2+]Cc1nc(=O)c2c([nH]1)sc(C)c2-c1ccc(C)cc1)[C@@H]1CCCO1 ZINC000775786027 874024373 /nfs/dbraw/zinc/02/43/73/874024373.db2.gz UXUMTZJJJMJSHF-SJORKVTESA-N 1 2 393.512 3.951 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCN(c3cccs3)CC2)cc1 ZINC000121506394 874274491 /nfs/dbraw/zinc/27/44/91/874274491.db2.gz AXTVBUJLRQKPRA-SFHVURJKSA-N 1 2 382.533 3.514 20 30 GHEDLO COc1ccccc1CO[NH+]=C(N)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000769840880 874319790 /nfs/dbraw/zinc/31/97/90/874319790.db2.gz APIHHAOPLFGAJR-UHFFFAOYSA-N 1 2 385.464 3.557 20 30 GHEDLO C#CC[C@H](Cc1ccccc1)NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000804453994 882866832 /nfs/dbraw/zinc/86/68/32/882866832.db2.gz MLMQWRNNFAULMY-LJQANCHMSA-N 1 2 377.513 3.627 20 30 GHEDLO N#Cc1ccc(C2(C(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)CCCC2)cc1 ZINC000858160947 882896650 /nfs/dbraw/zinc/89/66/50/882896650.db2.gz VYOUCAFSOGMGRH-UHFFFAOYSA-N 1 2 389.499 3.841 20 30 GHEDLO N#CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000785837501 876273253 /nfs/dbraw/zinc/27/32/53/876273253.db2.gz IRTYTWFFWCCXOP-INIZCTEOSA-N 1 2 375.831 3.820 20 30 GHEDLO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000785837501 876273264 /nfs/dbraw/zinc/27/32/64/876273264.db2.gz IRTYTWFFWCCXOP-INIZCTEOSA-N 1 2 375.831 3.820 20 30 GHEDLO CC[C@@H](Nc1nc(Cl)c(C#N)s1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000804553401 883017880 /nfs/dbraw/zinc/01/78/80/883017880.db2.gz RPUMEAPDMVFGPR-CABCVRRESA-N 1 2 376.913 3.760 20 30 GHEDLO CC[C@@H](Nc1nc(Cl)c(C#N)s1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000804553401 883017899 /nfs/dbraw/zinc/01/78/99/883017899.db2.gz RPUMEAPDMVFGPR-CABCVRRESA-N 1 2 376.913 3.760 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c1 ZINC000492416207 876770746 /nfs/dbraw/zinc/77/07/46/876770746.db2.gz JHOCDROHJPWEKE-UHFFFAOYSA-N 1 2 384.277 3.584 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c1 ZINC000492416207 876770754 /nfs/dbraw/zinc/77/07/54/876770754.db2.gz JHOCDROHJPWEKE-UHFFFAOYSA-N 1 2 384.277 3.584 20 30 GHEDLO C=CCc1ccccc1OC[C@H](O)C[NH2+]C1(c2noc(C(C)C)n2)CCCC1 ZINC000174239184 876920267 /nfs/dbraw/zinc/92/02/67/876920267.db2.gz FSEREPZKJKPTCN-GOSISDBHSA-N 1 2 385.508 3.720 20 30 GHEDLO N#Cc1ccc(OC[C@@H](O)COc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc1 ZINC000551590882 877481104 /nfs/dbraw/zinc/48/11/04/877481104.db2.gz OFEPRWFQSMWLMF-HXUWFJFHSA-N 1 2 389.455 3.577 20 30 GHEDLO N#CCCOCC[N@H+](Cc1ccccn1)Cc1ccc(Br)cc1F ZINC000451364895 877864830 /nfs/dbraw/zinc/86/48/30/877864830.db2.gz FFXBTLWKJWZXRF-UHFFFAOYSA-N 1 2 392.272 3.916 20 30 GHEDLO N#CCCOCC[N@@H+](Cc1ccccn1)Cc1ccc(Br)cc1F ZINC000451364895 877864839 /nfs/dbraw/zinc/86/48/39/877864839.db2.gz FFXBTLWKJWZXRF-UHFFFAOYSA-N 1 2 392.272 3.916 20 30 GHEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2ncc(C#N)cc2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000551815241 877882940 /nfs/dbraw/zinc/88/29/40/877882940.db2.gz SJGPPQHWFUJJJG-IEBWSBKVSA-N 1 2 386.858 3.620 20 30 GHEDLO CC[N@H+]1CC[C@@H](NC(=O)c2ncc(C#N)cc2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000551815241 877882950 /nfs/dbraw/zinc/88/29/50/877882950.db2.gz SJGPPQHWFUJJJG-IEBWSBKVSA-N 1 2 386.858 3.620 20 30 GHEDLO CC(C)(C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1cc(F)cc(C#N)c1 ZINC000285549757 912335476 /nfs/dbraw/zinc/33/54/76/912335476.db2.gz AOCNNKUXGGCGDE-QGZVFWFLSA-N 1 2 394.494 3.914 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[C@H]4CCCC[C@H]4C3)CC2)cc1 ZINC000616173383 878629467 /nfs/dbraw/zinc/62/94/67/878629467.db2.gz VESUJTOTHQZAHP-BHIFYINESA-N 1 2 380.536 3.744 20 30 GHEDLO C=CC[C@@H]1CCC[N@@H+](Cn2nc([C@@H]3COc4ccccc4O3)n(C)c2=S)C1 ZINC000853536262 879097051 /nfs/dbraw/zinc/09/70/51/879097051.db2.gz QXSGQLCVEXQFTO-QAPCUYQASA-N 1 2 386.521 3.709 20 30 GHEDLO C=CC[C@@H]1CCC[N@H+](Cn2nc([C@@H]3COc4ccccc4O3)n(C)c2=S)C1 ZINC000853536262 879097066 /nfs/dbraw/zinc/09/70/66/879097066.db2.gz QXSGQLCVEXQFTO-QAPCUYQASA-N 1 2 386.521 3.709 20 30 GHEDLO C[C@@H]([NH2+]Cc1csc(CNC(=O)c2ccccc2)n1)c1ccc(C#N)cc1 ZINC000538394907 879414231 /nfs/dbraw/zinc/41/42/31/879414231.db2.gz UDQRPWMCGXSLAN-OAHLLOKOSA-N 1 2 376.485 3.796 20 30 GHEDLO CC1(C)C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@H]1c1ccncc1 ZINC000854042992 879472418 /nfs/dbraw/zinc/47/24/18/879472418.db2.gz YRYVTYOYPVGICV-UWJYYQICSA-N 1 2 383.455 3.702 20 30 GHEDLO CC1(C)C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@H]1c1ccncc1 ZINC000854042992 879472423 /nfs/dbraw/zinc/47/24/23/879472423.db2.gz YRYVTYOYPVGICV-UWJYYQICSA-N 1 2 383.455 3.702 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc(Cc3ccccc3CC#N)n2)O1 ZINC000854108661 879546119 /nfs/dbraw/zinc/54/61/19/879546119.db2.gz FAGPPOQWLJKCRV-UTKZUKDTSA-N 1 2 388.471 3.688 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc(Cc3ccccc3CC#N)n2)O1 ZINC000854108661 879546136 /nfs/dbraw/zinc/54/61/36/879546136.db2.gz FAGPPOQWLJKCRV-UTKZUKDTSA-N 1 2 388.471 3.688 20 30 GHEDLO Cc1noc([C@H]2CCC[N@@H+]2CCC(=O)Nc2sc3c(c2C#N)CCCCC3)n1 ZINC000285889466 912489069 /nfs/dbraw/zinc/48/90/69/912489069.db2.gz ZYTIFKBEQJTHRF-MRXNPFEDSA-N 1 2 399.520 3.746 20 30 GHEDLO Cc1noc([C@H]2CCC[N@H+]2CCC(=O)Nc2sc3c(c2C#N)CCCCC3)n1 ZINC000285889466 912489082 /nfs/dbraw/zinc/48/90/82/912489082.db2.gz ZYTIFKBEQJTHRF-MRXNPFEDSA-N 1 2 399.520 3.746 20 30 GHEDLO COc1ccc2c(c1)C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@H](c1ccccc1)C2 ZINC000247653597 880038902 /nfs/dbraw/zinc/03/89/02/880038902.db2.gz PLDQJBAMICSVLL-UPVQGACJSA-N 1 2 389.499 3.603 20 30 GHEDLO COc1ccc2c(c1)C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@H](c1ccccc1)C2 ZINC000247653597 880038924 /nfs/dbraw/zinc/03/89/24/880038924.db2.gz PLDQJBAMICSVLL-UPVQGACJSA-N 1 2 389.499 3.603 20 30 GHEDLO CC[N@H+](CC(=O)N1CCC[C@@](C#N)(c2ccccn2)C1)Cc1ccccc1Cl ZINC000855304475 880422739 /nfs/dbraw/zinc/42/27/39/880422739.db2.gz HWQWBQPKSPGZDB-QFIPXVFZSA-N 1 2 396.922 3.641 20 30 GHEDLO CC[N@@H+](CC(=O)N1CCC[C@@](C#N)(c2ccccn2)C1)Cc1ccccc1Cl ZINC000855304475 880422748 /nfs/dbraw/zinc/42/27/48/880422748.db2.gz HWQWBQPKSPGZDB-QFIPXVFZSA-N 1 2 396.922 3.641 20 30 GHEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000791619857 880545581 /nfs/dbraw/zinc/54/55/81/880545581.db2.gz OJSQVSATXOODHP-UXHICEINSA-N 1 2 390.314 3.909 20 30 GHEDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000531869576 880649376 /nfs/dbraw/zinc/64/93/76/880649376.db2.gz KXTJTXJMQVWCQW-INIZCTEOSA-N 1 2 382.464 3.552 20 30 GHEDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000531869576 880649384 /nfs/dbraw/zinc/64/93/84/880649384.db2.gz KXTJTXJMQVWCQW-INIZCTEOSA-N 1 2 382.464 3.552 20 30 GHEDLO COc1cccc(C=C2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCCCC3)CC2)c1 ZINC000531870431 880652692 /nfs/dbraw/zinc/65/26/92/880652692.db2.gz AOCCWSXDEWKRNT-GOSISDBHSA-N 1 2 381.520 3.906 20 30 GHEDLO N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)cn2)cc1 ZINC000609553833 883365899 /nfs/dbraw/zinc/36/58/99/883365899.db2.gz KXXAXIVUWTTZJJ-INIZCTEOSA-N 1 2 388.431 3.880 20 30 GHEDLO N#Cc1ncc(Br)cc1N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000858821303 883380081 /nfs/dbraw/zinc/38/00/81/883380081.db2.gz DLNHWLSOZBUXNL-UHFFFAOYSA-N 1 2 396.292 3.519 20 30 GHEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)Nc1ccc(F)cc1OCC#N)c1ccccc1 ZINC000761677599 883415115 /nfs/dbraw/zinc/41/51/15/883415115.db2.gz QWJQHGXMPWGOSL-GOSISDBHSA-N 1 2 393.422 3.567 20 30 GHEDLO C#C[C@@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)cc1F ZINC000804961832 883513490 /nfs/dbraw/zinc/51/34/90/883513490.db2.gz LRXWVOGROLHUNZ-GOSISDBHSA-N 1 2 386.858 3.517 20 30 GHEDLO CC(C)(C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccc(C#N)cc1 ZINC000859266975 883706785 /nfs/dbraw/zinc/70/67/85/883706785.db2.gz UTNWZVUKVKDKPF-UHFFFAOYSA-N 1 2 376.504 3.928 20 30 GHEDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)CSc3ccc(C#N)cn3)CC2)cc1 ZINC000551424257 883849716 /nfs/dbraw/zinc/84/97/16/883849716.db2.gz YVONWXDWZZCDKI-UHFFFAOYSA-N 1 2 394.544 3.513 20 30 GHEDLO N#Cc1ccc(Cl)c(C[N@H+]2CCC[C@]23CCN(CCC(F)(F)F)C3=O)c1 ZINC001275233944 912769769 /nfs/dbraw/zinc/76/97/69/912769769.db2.gz HHSJFSPRCWMKIW-QGZVFWFLSA-N 1 2 385.817 3.731 20 30 GHEDLO N#Cc1ccc(Cl)c(C[N@@H+]2CCC[C@]23CCN(CCC(F)(F)F)C3=O)c1 ZINC001275233944 912769774 /nfs/dbraw/zinc/76/97/74/912769774.db2.gz HHSJFSPRCWMKIW-QGZVFWFLSA-N 1 2 385.817 3.731 20 30 GHEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000805743567 884049441 /nfs/dbraw/zinc/04/94/41/884049441.db2.gz IKPRGRDGIXWIEF-HNNXBMFYSA-N 1 2 399.292 3.566 20 30 GHEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000805743567 884049452 /nfs/dbraw/zinc/04/94/52/884049452.db2.gz IKPRGRDGIXWIEF-HNNXBMFYSA-N 1 2 399.292 3.566 20 30 GHEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000805756289 884086289 /nfs/dbraw/zinc/08/62/89/884086289.db2.gz XNHFGUAYMVKTJP-FQEVSTJZSA-N 1 2 385.305 3.847 20 30 GHEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000805756289 884086298 /nfs/dbraw/zinc/08/62/98/884086298.db2.gz XNHFGUAYMVKTJP-FQEVSTJZSA-N 1 2 385.305 3.847 20 30 GHEDLO C=CC[C@H](C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)c1ccccc1 ZINC000494891272 884126703 /nfs/dbraw/zinc/12/67/03/884126703.db2.gz PFYRPZNXMJACSB-FQEVSTJZSA-N 1 2 378.520 3.917 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)N1CCC(c2ccccn2)CC1 ZINC001183831038 912836335 /nfs/dbraw/zinc/83/63/35/912836335.db2.gz KYOYEQRLGGMRMR-QHCPKHFHSA-N 1 2 388.515 3.714 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(c2ccccn2)CC1 ZINC001183831038 912836349 /nfs/dbraw/zinc/83/63/49/912836349.db2.gz KYOYEQRLGGMRMR-QHCPKHFHSA-N 1 2 388.515 3.714 20 30 GHEDLO COc1ccccc1CCN(C)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183833071 912838383 /nfs/dbraw/zinc/83/83/83/912838383.db2.gz ZKNDTAOBWHWDSL-JOCHJYFZSA-N 1 2 391.515 3.622 20 30 GHEDLO COc1ccccc1CCN(C)C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183833071 912838402 /nfs/dbraw/zinc/83/84/02/912838402.db2.gz ZKNDTAOBWHWDSL-JOCHJYFZSA-N 1 2 391.515 3.622 20 30 GHEDLO COc1cccc(C2CC[NH+]([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)CC2)c1 ZINC000194877659 885294174 /nfs/dbraw/zinc/29/41/74/885294174.db2.gz CCRMODXQSMIYEO-OAHLLOKOSA-N 1 2 381.476 3.983 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2ccc(OC)cc2Br)C1=O ZINC001275282622 912943487 /nfs/dbraw/zinc/94/34/87/912943487.db2.gz UZILYUVDRXFSBL-IBGZPJMESA-N 1 2 393.325 3.601 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(OC)cc2Br)C1=O ZINC001275282622 912943494 /nfs/dbraw/zinc/94/34/94/912943494.db2.gz UZILYUVDRXFSBL-IBGZPJMESA-N 1 2 393.325 3.601 20 30 GHEDLO CC1(C)C[N@H+](CCNC(=O)c2ccccc2Sc2ccccc2C#N)CCO1 ZINC000194913032 885672778 /nfs/dbraw/zinc/67/27/78/885672778.db2.gz WTFBNBGHPUITCS-UHFFFAOYSA-N 1 2 395.528 3.550 20 30 GHEDLO CC1(C)C[N@@H+](CCNC(=O)c2ccccc2Sc2ccccc2C#N)CCO1 ZINC000194913032 885672787 /nfs/dbraw/zinc/67/27/87/885672787.db2.gz WTFBNBGHPUITCS-UHFFFAOYSA-N 1 2 395.528 3.550 20 30 GHEDLO C#CCOc1ccccc1C[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000915226126 886064471 /nfs/dbraw/zinc/06/44/71/886064471.db2.gz DASJDIBNQPXOQZ-UHFFFAOYSA-N 1 2 394.784 3.703 20 30 GHEDLO CC[C@H]([NH2+][C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1nc(C(F)(F)F)cs1 ZINC000542563948 886329367 /nfs/dbraw/zinc/32/93/67/886329367.db2.gz QLXZBMYXOCHRIA-PGUXBMHVSA-N 1 2 376.448 3.646 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC3(C2)Oc2ccccc2O3)cc1 ZINC000808792702 886787887 /nfs/dbraw/zinc/78/78/87/886787887.db2.gz MURMVSDFBKGGJS-SFHVURJKSA-N 1 2 391.471 3.504 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC3(C2)Oc2ccccc2O3)cc1 ZINC000808792702 886787899 /nfs/dbraw/zinc/78/78/99/886787899.db2.gz MURMVSDFBKGGJS-SFHVURJKSA-N 1 2 391.471 3.504 20 30 GHEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3ccc(COc4ccccc4C#N)o3)n2)C1 ZINC000272693863 888420634 /nfs/dbraw/zinc/42/06/34/888420634.db2.gz UYHOYANCYSXYKN-LJQANCHMSA-N 1 2 394.431 3.562 20 30 GHEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3ccc(COc4ccccc4C#N)o3)n2)C1 ZINC000272693863 888420639 /nfs/dbraw/zinc/42/06/39/888420639.db2.gz UYHOYANCYSXYKN-LJQANCHMSA-N 1 2 394.431 3.562 20 30 GHEDLO C#CCOc1ccc(Br)cc1C[NH2+]Cc1cn2cc(C)ccc2n1 ZINC000729680853 888500280 /nfs/dbraw/zinc/50/02/80/888500280.db2.gz CFSJHCCYMINNLB-UHFFFAOYSA-N 1 2 384.277 3.707 20 30 GHEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@@H](C3CC3)C2)nc1[C@H]1COc2ccccc2O1 ZINC000763330854 888505630 /nfs/dbraw/zinc/50/56/30/888505630.db2.gz FDQNFDRJINSDLZ-VQIMIIECSA-N 1 2 398.532 3.802 20 30 GHEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@@H](C3CC3)C2)nc1[C@H]1COc2ccccc2O1 ZINC000763330854 888505638 /nfs/dbraw/zinc/50/56/38/888505638.db2.gz FDQNFDRJINSDLZ-VQIMIIECSA-N 1 2 398.532 3.802 20 30 GHEDLO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)C1 ZINC000810536087 888564270 /nfs/dbraw/zinc/56/42/70/888564270.db2.gz IYZWBMKRAYZBCP-HXPMCKFVSA-N 1 2 378.398 3.820 20 30 GHEDLO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)C1 ZINC000810536087 888564276 /nfs/dbraw/zinc/56/42/76/888564276.db2.gz IYZWBMKRAYZBCP-HXPMCKFVSA-N 1 2 378.398 3.820 20 30 GHEDLO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)C1 ZINC000810536087 888564284 /nfs/dbraw/zinc/56/42/84/888564284.db2.gz IYZWBMKRAYZBCP-HXPMCKFVSA-N 1 2 378.398 3.820 20 30 GHEDLO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)C1 ZINC000810536087 888564291 /nfs/dbraw/zinc/56/42/91/888564291.db2.gz IYZWBMKRAYZBCP-HXPMCKFVSA-N 1 2 378.398 3.820 20 30 GHEDLO Cc1cccc(Cc2cnc(NC(=O)C[N@@H+](C)Cc3cccc(C#N)c3)s2)c1 ZINC000026329462 890405582 /nfs/dbraw/zinc/40/55/82/890405582.db2.gz NAMRLXZNJURLPL-UHFFFAOYSA-N 1 2 390.512 3.985 20 30 GHEDLO Cc1cccc(Cc2cnc(NC(=O)C[N@H+](C)Cc3cccc(C#N)c3)s2)c1 ZINC000026329462 890405584 /nfs/dbraw/zinc/40/55/84/890405584.db2.gz NAMRLXZNJURLPL-UHFFFAOYSA-N 1 2 390.512 3.985 20 30 GHEDLO N#Cc1ccccc1/C=C\C(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC001133454293 890993050 /nfs/dbraw/zinc/99/30/50/890993050.db2.gz ZZCPMMBXYHSIGW-YPKPFQOOSA-N 1 2 382.467 3.789 20 30 GHEDLO Cc1cc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000123946120 891147636 /nfs/dbraw/zinc/14/76/36/891147636.db2.gz XOUMVSDEPXELMG-ZHRRBRCNSA-N 1 2 387.487 3.886 20 30 GHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1=S ZINC000747831342 891203348 /nfs/dbraw/zinc/20/33/48/891203348.db2.gz MAAZGNUCSRASBQ-WOJBJXKFSA-N 1 2 398.576 3.897 20 30 GHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1=S ZINC000747831342 891203363 /nfs/dbraw/zinc/20/33/63/891203363.db2.gz MAAZGNUCSRASBQ-WOJBJXKFSA-N 1 2 398.576 3.897 20 30 GHEDLO C#CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCc2ccccc21 ZINC000917119439 891301720 /nfs/dbraw/zinc/30/17/20/891301720.db2.gz FRCJKXAZCQCJFN-IBGZPJMESA-N 1 2 383.835 3.809 20 30 GHEDLO C#CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCc2ccccc21 ZINC000917119439 891301733 /nfs/dbraw/zinc/30/17/33/891301733.db2.gz FRCJKXAZCQCJFN-IBGZPJMESA-N 1 2 383.835 3.809 20 30 GHEDLO C[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)Cc1cccc2ccccc21 ZINC000917134309 891413868 /nfs/dbraw/zinc/41/38/68/891413868.db2.gz RHGQOVJMKYIZHB-HXUWFJFHSA-N 1 2 396.450 3.797 20 30 GHEDLO C[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)Cc1cccc2ccccc21 ZINC000917134309 891413875 /nfs/dbraw/zinc/41/38/75/891413875.db2.gz RHGQOVJMKYIZHB-HXUWFJFHSA-N 1 2 396.450 3.797 20 30 GHEDLO CC1(C)CCc2sc(NC(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCO3)c(C#N)c21 ZINC001134162520 892393810 /nfs/dbraw/zinc/39/38/10/892393810.db2.gz FKHVPUNPIFUKJD-KRWDZBQOSA-N 1 2 395.528 3.683 20 30 GHEDLO CC1(C)CCc2sc(NC(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)c(C#N)c21 ZINC001134162520 892393827 /nfs/dbraw/zinc/39/38/27/892393827.db2.gz FKHVPUNPIFUKJD-KRWDZBQOSA-N 1 2 395.528 3.683 20 30 GHEDLO N#Cc1ccc(C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C2CC2)cc1 ZINC000194539219 893002568 /nfs/dbraw/zinc/00/25/68/893002568.db2.gz VHIOQNPCKJWVBU-UHFFFAOYSA-N 1 2 375.388 3.681 20 30 GHEDLO N#Cc1ccc(C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C2CC2)cc1 ZINC000194539219 893002584 /nfs/dbraw/zinc/00/25/84/893002584.db2.gz VHIOQNPCKJWVBU-UHFFFAOYSA-N 1 2 375.388 3.681 20 30 GHEDLO CCOc1ccc(N[NH+]=Cc2c(C)c(C#N)c3[nH]c4ccccc4n3c2=O)cc1 ZINC000814983062 893322826 /nfs/dbraw/zinc/32/28/26/893322826.db2.gz AYOKBFLJKUQTLW-UHFFFAOYSA-N 1 2 385.427 3.806 20 30 GHEDLO Cn1cc([C@H]2CSCCC[N@@H+]2Cc2cc(Cl)ccc2OCC#N)cn1 ZINC000933980108 893332713 /nfs/dbraw/zinc/33/27/13/893332713.db2.gz BSMKZPJCFSITMV-QGZVFWFLSA-N 1 2 376.913 3.656 20 30 GHEDLO Cn1cc([C@H]2CSCCC[N@H+]2Cc2cc(Cl)ccc2OCC#N)cn1 ZINC000933980108 893332731 /nfs/dbraw/zinc/33/27/31/893332731.db2.gz BSMKZPJCFSITMV-QGZVFWFLSA-N 1 2 376.913 3.656 20 30 GHEDLO COc1c(Br)cc(C[N@H+](C)[C@@H](C)CC#N)cc1Br ZINC000536682920 893553070 /nfs/dbraw/zinc/55/30/70/893553070.db2.gz ZHNXUEDSLVHULD-VIFPVBQESA-N 1 2 376.092 3.954 20 30 GHEDLO COc1c(Br)cc(C[N@@H+](C)[C@@H](C)CC#N)cc1Br ZINC000536682920 893553084 /nfs/dbraw/zinc/55/30/84/893553084.db2.gz ZHNXUEDSLVHULD-VIFPVBQESA-N 1 2 376.092 3.954 20 30 GHEDLO CC(=O)[C@](C#N)(CC[NH+]1CCN(C/C=C/c2ccccc2)CC1)c1ccccc1 ZINC000877948319 893908514 /nfs/dbraw/zinc/90/85/14/893908514.db2.gz SMBMGQAXAAMQOW-FPVCCHAOSA-N 1 2 387.527 3.758 20 30 GHEDLO CC(=O)[C@](C#N)(CCN1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccccc1 ZINC000877948319 893908526 /nfs/dbraw/zinc/90/85/26/893908526.db2.gz SMBMGQAXAAMQOW-FPVCCHAOSA-N 1 2 387.527 3.758 20 30 GHEDLO CC(=O)[C@](C#N)(CC[N@@H+](C)Cc1cc(Br)cn1C)c1ccccc1 ZINC000878188396 894080146 /nfs/dbraw/zinc/08/01/46/894080146.db2.gz HNJZQGGEBAFITN-LJQANCHMSA-N 1 2 388.309 3.660 20 30 GHEDLO CC(=O)[C@](C#N)(CC[N@H+](C)Cc1cc(Br)cn1C)c1ccccc1 ZINC000878188396 894080163 /nfs/dbraw/zinc/08/01/63/894080163.db2.gz HNJZQGGEBAFITN-LJQANCHMSA-N 1 2 388.309 3.660 20 30 GHEDLO CCOC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000459695434 894087748 /nfs/dbraw/zinc/08/77/48/894087748.db2.gz ATQDJOXRSLGBCL-IRXDYDNUSA-N 1 2 375.538 3.768 20 30 GHEDLO CCOC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000459695434 894087764 /nfs/dbraw/zinc/08/77/64/894087764.db2.gz ATQDJOXRSLGBCL-IRXDYDNUSA-N 1 2 375.538 3.768 20 30 GHEDLO CCOC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000459714695 894137712 /nfs/dbraw/zinc/13/77/12/894137712.db2.gz OOYATOQWUNGMHX-IRXDYDNUSA-N 1 2 375.538 3.910 20 30 GHEDLO CCOC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000459714695 894137719 /nfs/dbraw/zinc/13/77/19/894137719.db2.gz OOYATOQWUNGMHX-IRXDYDNUSA-N 1 2 375.538 3.910 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccnc4cc(Cl)ccc43)CC2)cc1 ZINC001135509333 894737805 /nfs/dbraw/zinc/73/78/05/894737805.db2.gz PMQJRGXVUPOEIJ-UHFFFAOYSA-N 1 2 390.874 3.718 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cc(Cl)cc(F)c3F)CC2)cc1 ZINC000442198232 895126140 /nfs/dbraw/zinc/12/61/40/895126140.db2.gz YMGQIZSQIHQZHU-UHFFFAOYSA-N 1 2 390.821 3.840 20 30 GHEDLO CC[C@H](C)n1c2ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc2nc1C(F)(F)F ZINC000564867483 895289372 /nfs/dbraw/zinc/28/93/72/895289372.db2.gz FFABQDBLKJMXGK-ZFWWWQNUSA-N 1 2 397.445 3.644 20 30 GHEDLO CC[C@H](C)n1c2ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc2nc1C(F)(F)F ZINC000564867483 895289383 /nfs/dbraw/zinc/28/93/83/895289383.db2.gz FFABQDBLKJMXGK-ZFWWWQNUSA-N 1 2 397.445 3.644 20 30 GHEDLO C#C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1ccc(Cl)cc1 ZINC001275447333 913971004 /nfs/dbraw/zinc/97/10/04/913971004.db2.gz FVGNYAVYKAUEAN-MRXNPFEDSA-N 1 2 380.791 3.538 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000880319248 895635257 /nfs/dbraw/zinc/63/52/57/895635257.db2.gz DIZJBGRGGRFWEW-LSDHHAIUSA-N 1 2 386.546 3.823 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000880319248 895635282 /nfs/dbraw/zinc/63/52/82/895635282.db2.gz DIZJBGRGGRFWEW-LSDHHAIUSA-N 1 2 386.546 3.823 20 30 GHEDLO CC[C@@H](Nc1nc(C#N)c(Cl)s1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001185677509 914036307 /nfs/dbraw/zinc/03/63/07/914036307.db2.gz XGWYEYIFSKNHTM-ZBFHGGJFSA-N 1 2 376.913 3.760 20 30 GHEDLO CC[C@@H](Nc1nc(C#N)c(Cl)s1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001185677509 914036324 /nfs/dbraw/zinc/03/63/24/914036324.db2.gz XGWYEYIFSKNHTM-ZBFHGGJFSA-N 1 2 376.913 3.760 20 30 GHEDLO C=CCOC[C@H]1C[N@H+](Cc2cccc3cccnc32)Cc2nnn(CC3CC3)c21 ZINC001137173321 896638890 /nfs/dbraw/zinc/63/88/90/896638890.db2.gz QGEYFCBVXRJYNF-HXUWFJFHSA-N 1 2 389.503 3.538 20 30 GHEDLO C=CCOC[C@H]1C[N@@H+](Cc2cccc3cccnc32)Cc2nnn(CC3CC3)c21 ZINC001137173321 896638900 /nfs/dbraw/zinc/63/89/00/896638900.db2.gz QGEYFCBVXRJYNF-HXUWFJFHSA-N 1 2 389.503 3.538 20 30 GHEDLO CC(C)(C)c1cnc(CO[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)o1 ZINC000131325008 897410527 /nfs/dbraw/zinc/41/05/27/897410527.db2.gz HDVQENRUVXRKPU-UHFFFAOYSA-N 1 2 380.448 3.783 20 30 GHEDLO C#CCCCOc1cccnc1N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000820680459 897460813 /nfs/dbraw/zinc/46/08/13/897460813.db2.gz BOGAUORIERCYCA-UHFFFAOYSA-N 1 2 386.499 3.876 20 30 GHEDLO N#Cc1ccc(-c2cccc(CNC(=O)c3cc(-n4cc[nH+]c4)ccn3)c2)s1 ZINC000778781296 899716555 /nfs/dbraw/zinc/71/65/55/899716555.db2.gz RUIMFWJVSLCQJK-UHFFFAOYSA-N 1 2 385.452 3.797 20 30 GHEDLO C#CCOc1cccc([C@@H](C)OC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)c1 ZINC000805877319 899817310 /nfs/dbraw/zinc/81/73/10/899817310.db2.gz DUQQWBWRHLDDHX-MRXNPFEDSA-N 1 2 398.528 3.980 20 30 GHEDLO COC(=O)C1(C#N)CC[NH+](Cc2cn(-c3ccc(C)cc3)nc2C(C)(C)C)CC1 ZINC000824866685 899844633 /nfs/dbraw/zinc/84/46/33/899844633.db2.gz GRWCXHLSMRHUEO-UHFFFAOYSA-N 1 2 394.519 3.757 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c1C ZINC000134627790 900096251 /nfs/dbraw/zinc/09/62/51/900096251.db2.gz ZGIYVWOORSJNDZ-MAUKXSAKSA-N 1 2 389.540 3.851 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c1C ZINC000134627790 900096262 /nfs/dbraw/zinc/09/62/62/900096262.db2.gz ZGIYVWOORSJNDZ-MAUKXSAKSA-N 1 2 389.540 3.851 20 30 GHEDLO Cc1csc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c1C#N ZINC000573930816 900703416 /nfs/dbraw/zinc/70/34/16/900703416.db2.gz CSTWVKBXIDPASE-HOTGVXAUSA-N 1 2 376.432 3.773 20 30 GHEDLO Cc1csc(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c1C#N ZINC000573930816 900703430 /nfs/dbraw/zinc/70/34/30/900703430.db2.gz CSTWVKBXIDPASE-HOTGVXAUSA-N 1 2 376.432 3.773 20 30 GHEDLO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844370259 900735143 /nfs/dbraw/zinc/73/51/43/900735143.db2.gz PQSZEQXOEUJBKB-IFXJQAMLSA-N 1 2 396.878 3.912 20 30 GHEDLO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844370259 900735150 /nfs/dbraw/zinc/73/51/50/900735150.db2.gz PQSZEQXOEUJBKB-IFXJQAMLSA-N 1 2 396.878 3.912 20 30 GHEDLO COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000047077211 901316149 /nfs/dbraw/zinc/31/61/49/901316149.db2.gz YKEISQIRFOWOPK-UHFFFAOYSA-N 1 2 376.416 3.550 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)[C@@]2(C#N)CC23CCCC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000575830192 901352653 /nfs/dbraw/zinc/35/26/53/901352653.db2.gz FRSWJSALMBABQN-ZWOKBUDYSA-N 1 2 375.875 3.815 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)[C@@]2(C#N)CC23CCCC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000575830192 901352654 /nfs/dbraw/zinc/35/26/54/901352654.db2.gz FRSWJSALMBABQN-ZWOKBUDYSA-N 1 2 375.875 3.815 20 30 GHEDLO N#Cc1csc(C[NH2+][C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)n1 ZINC000575977393 901548390 /nfs/dbraw/zinc/54/83/90/901548390.db2.gz BYIFWMKEUWOXIG-ZDUSSCGKSA-N 1 2 381.288 3.607 20 30 GHEDLO C[C@H](CC(=O)O[C@@H](C)C(=O)/C=C1/N(C)c2ccccc2C1(C)C)n1cc[nH+]c1 ZINC000845279444 902004944 /nfs/dbraw/zinc/00/49/44/902004944.db2.gz WNPLHTPNLGLYHD-YIXMANLCSA-N 1 2 381.476 3.647 20 30 GHEDLO CC[C@@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@@H](C)[S@]1=O ZINC000576504217 902063917 /nfs/dbraw/zinc/06/39/17/902063917.db2.gz SCTNRJHVIZFVQB-UKPISFLSSA-N 1 2 382.529 3.869 20 30 GHEDLO CC[C@@H]1C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@@H](C)[S@]1=O ZINC000576504217 902063933 /nfs/dbraw/zinc/06/39/33/902063933.db2.gz SCTNRJHVIZFVQB-UKPISFLSSA-N 1 2 382.529 3.869 20 30 GHEDLO N#Cc1ccc(Cc2cnc(NC(=O)N3CCC(c4[nH]cc[nH+]4)CC3)s2)cc1 ZINC000263659668 902363114 /nfs/dbraw/zinc/36/31/14/902363114.db2.gz FXFSBAMPBOCETC-UHFFFAOYSA-N 1 2 392.488 3.740 20 30 GHEDLO N#CCCCN1CCC2(CC[NH+](Cc3cc(Cl)cnc3Cl)CC2)C1=O ZINC001275539784 914643211 /nfs/dbraw/zinc/64/32/11/914643211.db2.gz KBYLYIBMCHZBBQ-UHFFFAOYSA-N 1 2 381.307 3.507 20 30 GHEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)NCCCCC#N)cc1 ZINC000264024914 902783138 /nfs/dbraw/zinc/78/31/38/902783138.db2.gz AGDYVDPMQISBBC-UHFFFAOYSA-N 1 2 383.496 3.578 20 30 GHEDLO CC[N@H+](CC(=O)N1CCc2c(CC#N)cccc2C1)Cc1ccccc1Cl ZINC000600787629 902914881 /nfs/dbraw/zinc/91/48/81/902914881.db2.gz BNHAJSLRFBVGFV-UHFFFAOYSA-N 1 2 381.907 3.813 20 30 GHEDLO CC[N@@H+](CC(=O)N1CCc2c(CC#N)cccc2C1)Cc1ccccc1Cl ZINC000600787629 902914895 /nfs/dbraw/zinc/91/48/95/902914895.db2.gz BNHAJSLRFBVGFV-UHFFFAOYSA-N 1 2 381.907 3.813 20 30 GHEDLO Cc1cc(C#N)ccc1NC1CC[NH+]([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000846753240 903192458 /nfs/dbraw/zinc/19/24/58/903192458.db2.gz QAUAITARODGROQ-QGZVFWFLSA-N 1 2 397.544 3.908 20 30 GHEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000578336017 903745810 /nfs/dbraw/zinc/74/58/10/903745810.db2.gz ZFIIJACCRAEAMQ-SECBINFHSA-N 1 2 378.192 3.688 20 30 GHEDLO COC(=O)c1ccc(OC)c(C[NH+]2CCC(C#N)(c3ccccc3F)CC2)c1 ZINC001137251347 904523718 /nfs/dbraw/zinc/52/37/18/904523718.db2.gz AQDAPICLGIFQPL-UHFFFAOYSA-N 1 2 382.435 3.678 20 30 GHEDLO Cc1c(C(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cnn1CCC#N ZINC000890459662 905063187 /nfs/dbraw/zinc/06/31/87/905063187.db2.gz ZGLVUOXIYNGICX-UHFFFAOYSA-N 1 2 375.432 3.524 20 30 GHEDLO O=C1C=C2C[N@H+](C3CCN(c4ccc(Br)cc4)CC3)CC[C@H]2S1 ZINC001171990665 905202033 /nfs/dbraw/zinc/20/20/33/905202033.db2.gz CRMVDDMZSHDGPP-QGZVFWFLSA-N 1 2 393.350 3.692 20 30 GHEDLO O=C1C=C2C[N@@H+](C3CCN(c4ccc(Br)cc4)CC3)CC[C@H]2S1 ZINC001171990665 905202049 /nfs/dbraw/zinc/20/20/49/905202049.db2.gz CRMVDDMZSHDGPP-QGZVFWFLSA-N 1 2 393.350 3.692 20 30 GHEDLO C[C@@H](CCCC#N)[NH2+][C@@H](CCC(=O)OCc1ccccc1)C(=O)OC(C)(C)C ZINC001172483231 905557713 /nfs/dbraw/zinc/55/77/13/905557713.db2.gz NQURGLXDEJOWDA-HKUYNNGSSA-N 1 2 388.508 3.892 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)cc1OC ZINC000628257244 906029848 /nfs/dbraw/zinc/02/98/48/906029848.db2.gz FXNAZNQPRODEBO-MGPUTAFESA-N 1 2 381.900 3.683 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)cc1OC ZINC000628257244 906029863 /nfs/dbraw/zinc/02/98/63/906029863.db2.gz FXNAZNQPRODEBO-MGPUTAFESA-N 1 2 381.900 3.683 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCc2cccc(NC(C)=O)c2C1 ZINC001175276489 907455834 /nfs/dbraw/zinc/45/58/34/907455834.db2.gz IZIHLDQELMBCIS-INIZCTEOSA-N 1 2 397.544 3.668 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCc2cccc(NC(C)=O)c2C1 ZINC001175276489 907455841 /nfs/dbraw/zinc/45/58/41/907455841.db2.gz IZIHLDQELMBCIS-INIZCTEOSA-N 1 2 397.544 3.668 20 30 GHEDLO C#CCCCC(=O)N1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000192155490 907482992 /nfs/dbraw/zinc/48/29/92/907482992.db2.gz NQEHVWYXXILBSC-UHFFFAOYSA-N 1 2 390.527 3.740 20 30 GHEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCCSC[C@@H]2c2ccccc2)c1 ZINC001175770437 907735237 /nfs/dbraw/zinc/73/52/37/907735237.db2.gz ZWLNJMMQMWFJNQ-HXUWFJFHSA-N 1 2 386.542 3.512 20 30 GHEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCCSC[C@@H]2c2ccccc2)c1 ZINC001175770437 907735249 /nfs/dbraw/zinc/73/52/49/907735249.db2.gz ZWLNJMMQMWFJNQ-HXUWFJFHSA-N 1 2 386.542 3.512 20 30 GHEDLO CC[C@@]1(CO)CCC[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000187584152 908109710 /nfs/dbraw/zinc/10/97/10/908109710.db2.gz HVYATUWEYJRFIC-OXJNMPFZSA-N 1 2 375.538 3.504 20 30 GHEDLO CC[C@@]1(CO)CCC[N@@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000187584152 908109716 /nfs/dbraw/zinc/10/97/16/908109716.db2.gz HVYATUWEYJRFIC-OXJNMPFZSA-N 1 2 375.538 3.504 20 30 GHEDLO C=CCn1cc(Nc2ccc(N3CCC(NC(=O)OC(C)(C)C)CC3)[nH+]c2)cn1 ZINC001176545748 908140238 /nfs/dbraw/zinc/14/02/38/908140238.db2.gz KDUSPGOLNMBLLE-UHFFFAOYSA-N 1 2 398.511 3.701 20 30 GHEDLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000635646994 909314449 /nfs/dbraw/zinc/31/44/49/909314449.db2.gz RWDCXPHTEREQPN-AWEZNQCLSA-N 1 2 389.299 3.563 20 30 GHEDLO Cc1cccc(NC(=O)N2CC[NH+](Cc3ccc(O[C@@H](C)C#N)cc3)CC2)c1 ZINC000092760005 911779381 /nfs/dbraw/zinc/77/93/81/911779381.db2.gz SCWYHBXTEKZOKF-SFHVURJKSA-N 1 2 378.476 3.636 20 30 GHEDLO Cc1cc(Br)cc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 ZINC000775063582 914878684 /nfs/dbraw/zinc/87/86/84/914878684.db2.gz UHLFMTLNQUHWMR-GOEBONIOSA-N 1 2 394.313 3.606 20 30 GHEDLO C=CCOc1ccccc1[C@H](C)NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC001187451134 915259081 /nfs/dbraw/zinc/25/90/81/915259081.db2.gz ZATPJZJLJOOGSY-SFHVURJKSA-N 1 2 380.488 3.575 20 30 GHEDLO N#Cc1c(F)cc(Nc2cc(I)c3[nH+]ccn3c2)cc1F ZINC001203673983 915721092 /nfs/dbraw/zinc/72/10/92/915721092.db2.gz CCPIXMCZLKXPGZ-UHFFFAOYSA-N 1 2 396.138 3.832 20 30 GHEDLO C=C(Br)C[NH2+][C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000775186024 916073748 /nfs/dbraw/zinc/07/37/48/916073748.db2.gz VTSWOKCFNJIBMS-SECBINFHSA-N 1 2 377.076 3.780 20 30 GHEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1sc(NC(C)(C)C)nc1Cl ZINC001275868182 918966570 /nfs/dbraw/zinc/96/65/70/918966570.db2.gz OZYKJCGNTIMXGE-LJQANCHMSA-N 1 2 394.972 3.597 20 30 GHEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1sc(NC(C)(C)C)nc1Cl ZINC001275868182 918966579 /nfs/dbraw/zinc/96/65/79/918966579.db2.gz OZYKJCGNTIMXGE-LJQANCHMSA-N 1 2 394.972 3.597 20 30 GHEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c(Cl)cccc1C(F)(F)F ZINC001276373602 919596898 /nfs/dbraw/zinc/59/68/98/919596898.db2.gz HBYLHQCMBUXJNM-GOSISDBHSA-N 1 2 384.829 3.949 20 30 GHEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c(Cl)cccc1C(F)(F)F ZINC001276373602 919596905 /nfs/dbraw/zinc/59/69/05/919596905.db2.gz HBYLHQCMBUXJNM-GOSISDBHSA-N 1 2 384.829 3.949 20 30 GHEDLO N#Cc1ccc(CN(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C2CC2)cc1 ZINC000900124920 919888729 /nfs/dbraw/zinc/88/87/29/919888729.db2.gz QXGJNPNXOWOBLA-UHFFFAOYSA-N 1 2 385.471 3.672 20 30 GHEDLO C[C@@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1nc(C(F)(F)F)cs1 ZINC000298440558 920537003 /nfs/dbraw/zinc/53/70/03/920537003.db2.gz GXILOLXIRUCDNW-SCZZXKLOSA-N 1 2 386.424 3.551 20 30 GHEDLO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000900905385 920702060 /nfs/dbraw/zinc/70/20/60/920702060.db2.gz SICFQIADGUBVOA-XZOQPEGZSA-N 1 2 399.498 3.907 20 30 GHEDLO COc1ccc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1Br ZINC000367058822 921899400 /nfs/dbraw/zinc/89/94/00/921899400.db2.gz XZSZDOFKTOFTTG-UHFFFAOYSA-N 1 2 386.293 3.910 20 30 GHEDLO N#CC1(CCC[NH2+][C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000369202480 923201394 /nfs/dbraw/zinc/20/13/94/923201394.db2.gz INJDFDSXNFVIGH-INIZCTEOSA-N 1 2 393.413 3.603 20 30 GHEDLO N#CC1(c2ccccn2)CC[NH+]([C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC000369202806 923202238 /nfs/dbraw/zinc/20/22/38/923202238.db2.gz ALRLKAJSMXHLTO-SFHVURJKSA-N 1 2 398.869 3.537 20 30 GHEDLO O=C(Nc1cccc(C#Cc2cccs2)c1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000677073475 924228511 /nfs/dbraw/zinc/22/85/11/924228511.db2.gz OGANKOVEJMOZOG-LJQANCHMSA-N 1 2 388.496 3.943 20 30 GHEDLO C=CCOC[C@H]1C[N@@H+](Cc2c[nH]c3ccc(F)cc23)Cc2nnn(CC3CC3)c21 ZINC001137336728 924753751 /nfs/dbraw/zinc/75/37/51/924753751.db2.gz LCGROAHZSOGWFA-QGZVFWFLSA-N 1 2 395.482 3.611 20 30 GHEDLO C=CCOC[C@H]1C[N@H+](Cc2c[nH]c3ccc(F)cc23)Cc2nnn(CC3CC3)c21 ZINC001137336728 924753756 /nfs/dbraw/zinc/75/37/56/924753756.db2.gz LCGROAHZSOGWFA-QGZVFWFLSA-N 1 2 395.482 3.611 20 30 GHEDLO O=S(=O)(Nc1ccccc1)[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000679831371 925279156 /nfs/dbraw/zinc/27/91/56/925279156.db2.gz WSVUOVANROSWOR-HXUWFJFHSA-N 1 2 388.920 3.598 20 30 GHEDLO O=S(=O)(Nc1ccccc1)[C@@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000679831371 925279167 /nfs/dbraw/zinc/27/91/67/925279167.db2.gz WSVUOVANROSWOR-HXUWFJFHSA-N 1 2 388.920 3.598 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(O)ccc1Br ZINC001276088192 925469193 /nfs/dbraw/zinc/46/91/93/925469193.db2.gz BEJSXOURAKAAHD-LJQANCHMSA-N 1 2 393.325 3.688 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(O)ccc1Br ZINC001276088192 925469197 /nfs/dbraw/zinc/46/91/97/925469197.db2.gz BEJSXOURAKAAHD-LJQANCHMSA-N 1 2 393.325 3.688 20 30 GHEDLO O=S(=O)(NC1CC1)c1ccc(N[NH+]=Cc2ccccc2N2CCCCC2)cc1 ZINC000726423414 926655460 /nfs/dbraw/zinc/65/54/60/926655460.db2.gz GZJRKXFMZLOQCL-UHFFFAOYSA-N 1 2 398.532 3.564 20 30 GHEDLO CCOC(=O)Nc1ccc(NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1C#N ZINC000752309066 928745402 /nfs/dbraw/zinc/74/54/02/928745402.db2.gz XEUILCRGEHSXGQ-QGZVFWFLSA-N 1 2 398.467 3.560 20 30 GHEDLO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000544184193 928902905 /nfs/dbraw/zinc/90/29/05/928902905.db2.gz UKDSGWCNGAPLHK-UHFFFAOYSA-N 1 2 397.500 3.626 20 30 GHEDLO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000544184193 928902913 /nfs/dbraw/zinc/90/29/13/928902913.db2.gz UKDSGWCNGAPLHK-UHFFFAOYSA-N 1 2 397.500 3.626 20 30 GHEDLO CC(=NNC1=[NH+][C@H]2CCCC[C@@H]2N1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000753935041 929600840 /nfs/dbraw/zinc/60/08/40/929600840.db2.gz MHDJGCMNYGFHMN-GJZGRUSLSA-N 1 2 383.477 3.907 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCOCC2(CCC2)C1 ZINC000546104162 929856156 /nfs/dbraw/zinc/85/61/56/929856156.db2.gz MNSKCAWGGVZSFX-HNNXBMFYSA-N 1 2 387.549 3.718 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCOCC2(CCC2)C1 ZINC000546104162 929856165 /nfs/dbraw/zinc/85/61/65/929856165.db2.gz MNSKCAWGGVZSFX-HNNXBMFYSA-N 1 2 387.549 3.718 20 30 GHEDLO O=[N+]([O-])c1cccnc1N=NC1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000759202614 930307831 /nfs/dbraw/zinc/30/78/31/930307831.db2.gz FXSJICDJNWCVMM-UHFFFAOYSA-N 1 2 377.807 3.846 20 30 GHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470032609 930331827 /nfs/dbraw/zinc/33/18/27/930331827.db2.gz WQPSOEIGAZBPRP-KSSFIOAISA-N 1 2 384.307 3.501 20 30 GHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470032609 930331831 /nfs/dbraw/zinc/33/18/31/930331831.db2.gz WQPSOEIGAZBPRP-KSSFIOAISA-N 1 2 384.307 3.501 20 30 GHEDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000781983087 931050844 /nfs/dbraw/zinc/05/08/44/931050844.db2.gz FBALOMIIFDNRET-LPHOPBHVSA-N 1 2 397.441 3.674 20 30 GHEDLO CO[C@@]1(C(F)(F)F)CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000781983087 931050849 /nfs/dbraw/zinc/05/08/49/931050849.db2.gz FBALOMIIFDNRET-LPHOPBHVSA-N 1 2 397.441 3.674 20 30 GHEDLO CCO[C@H](C)c1nc(CO[NH+]=C(N)c2ccc(Br)cc2)cs1 ZINC000782949754 931372655 /nfs/dbraw/zinc/37/26/55/931372655.db2.gz YSWAPQBVFHOGEA-SNVBAGLBSA-N 1 2 384.299 3.840 20 30 GHEDLO CCOc1ccccc1C1N=NC(=S)N1N=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000783812003 931664799 /nfs/dbraw/zinc/66/47/99/931664799.db2.gz XTPVLJRXTBHOSI-UHFFFAOYSA-N 1 2 396.501 3.762 20 30 GHEDLO CCc1cc(Br)ccc1N[NH+]=Cc1cnc(N2CCOCC2)s1 ZINC000783871550 931699594 /nfs/dbraw/zinc/69/95/94/931699594.db2.gz JYFGBVXLFUBCCT-UHFFFAOYSA-N 1 2 395.326 3.751 20 30 GHEDLO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2Cc2nc3ccccc3c(=O)n2CC#N)c1 ZINC000784352277 931866385 /nfs/dbraw/zinc/86/63/85/931866385.db2.gz GHMKGQNBAXVJTK-IERDGZPVSA-N 1 2 388.471 3.512 20 30 GHEDLO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2Cc2nc3ccccc3c(=O)n2CC#N)c1 ZINC000784352277 931866395 /nfs/dbraw/zinc/86/63/95/931866395.db2.gz GHMKGQNBAXVJTK-IERDGZPVSA-N 1 2 388.471 3.512 20 30 GHEDLO Cc1ccc(N2CC[NH+](CC(=O)N(CCC#N)c3cccc(C)c3C)CC2)cc1 ZINC000784389452 931878174 /nfs/dbraw/zinc/87/81/74/931878174.db2.gz PJQBSFNJICLWOE-UHFFFAOYSA-N 1 2 390.531 3.681 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cnc2ccc(Br)cn12 ZINC000558409558 931986349 /nfs/dbraw/zinc/98/63/49/931986349.db2.gz UGEYMLULYXEREG-UHFFFAOYSA-N 1 2 390.281 3.760 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cnc2ccc(Br)cn12 ZINC000558409558 931986354 /nfs/dbraw/zinc/98/63/54/931986354.db2.gz UGEYMLULYXEREG-UHFFFAOYSA-N 1 2 390.281 3.760 20 30 GHEDLO CC[C@@H]([NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)c1cccc(C#N)c1O ZINC000926413391 932168345 /nfs/dbraw/zinc/16/83/45/932168345.db2.gz OJWOPHJBRUSVGC-QGZVFWFLSA-N 1 2 386.883 3.591 20 30 GHEDLO C=C(C)Cn1c(C(C)C)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000559002980 932367041 /nfs/dbraw/zinc/36/70/41/932367041.db2.gz UVMFQLVDLDRZCL-UHFFFAOYSA-N 1 2 383.544 3.526 20 30 GHEDLO N#CCc1ccccc1CC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000797699697 932373319 /nfs/dbraw/zinc/37/33/19/932373319.db2.gz DNAWBSPASISKOU-UHFFFAOYSA-N 1 2 392.890 3.874 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000799190133 932907053 /nfs/dbraw/zinc/90/70/53/932907053.db2.gz KQEJQGBRVIQLNP-IRXDYDNUSA-N 1 2 380.517 3.904 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000799190133 932907062 /nfs/dbraw/zinc/90/70/62/932907062.db2.gz KQEJQGBRVIQLNP-IRXDYDNUSA-N 1 2 380.517 3.904 20 30 GHEDLO CC(=[NH+]NC(=S)NCc1cccnc1)c1ccc(N2CCCCCC2)cc1 ZINC001115812994 933209717 /nfs/dbraw/zinc/20/97/17/933209717.db2.gz HBNDZZWDKMPBLE-UHFFFAOYSA-N 1 2 381.549 3.850 20 30 GHEDLO N#Cc1ccc(OC2CCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)c(F)c1 ZINC000561394854 934116019 /nfs/dbraw/zinc/11/60/19/934116019.db2.gz PWLCZLDDBSXMNQ-UHFFFAOYSA-N 1 2 381.455 3.525 20 30 GHEDLO N#Cc1ccc(OC2CCN(c3cc(N4CCCCC4)nc[nH+]3)CC2)c(F)c1 ZINC000561394854 934116022 /nfs/dbraw/zinc/11/60/22/934116022.db2.gz PWLCZLDDBSXMNQ-UHFFFAOYSA-N 1 2 381.455 3.525 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(Cc1cccs1)C1CC1 ZINC001121584131 934706789 /nfs/dbraw/zinc/70/67/89/934706789.db2.gz HWBYDDBVNHQJHX-UHFFFAOYSA-N 1 2 396.564 3.788 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)Cc1ccc(C)s1 ZINC001121584273 934706902 /nfs/dbraw/zinc/70/69/02/934706902.db2.gz MITVRRJASQGMBX-UHFFFAOYSA-N 1 2 384.553 3.564 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1C[C@H]2COC[C@]2(C)C1 ZINC001122440974 934870391 /nfs/dbraw/zinc/87/03/91/934870391.db2.gz NELGPKXSIFQKPQ-LEDOBFOHSA-N 1 2 395.551 3.520 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1C[C@H]2COC[C@]2(C)C1 ZINC001122440974 934870397 /nfs/dbraw/zinc/87/03/97/934870397.db2.gz NELGPKXSIFQKPQ-LEDOBFOHSA-N 1 2 395.551 3.520 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC001122529498 934890883 /nfs/dbraw/zinc/89/08/83/934890883.db2.gz DWTFLQLPVJKXBW-ROUUACIJSA-N 1 2 395.507 3.691 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC001122529498 934890890 /nfs/dbraw/zinc/89/08/90/934890890.db2.gz DWTFLQLPVJKXBW-ROUUACIJSA-N 1 2 395.507 3.691 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC001122537117 934892687 /nfs/dbraw/zinc/89/26/87/934892687.db2.gz QSUGZKLLDDKNOM-AQNXPRMDSA-N 1 2 387.572 3.654 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC001122537117 934892690 /nfs/dbraw/zinc/89/26/90/934892690.db2.gz QSUGZKLLDDKNOM-AQNXPRMDSA-N 1 2 387.572 3.654 20 30 GHEDLO C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC[N@@H+]2Cc2ccccc2)n1CC1CC1 ZINC001123582868 935229777 /nfs/dbraw/zinc/22/97/77/935229777.db2.gz UFMMISRELNBBFU-XLIONFOSSA-N 1 2 378.524 3.764 20 30 GHEDLO C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC[N@H+]2Cc2ccccc2)n1CC1CC1 ZINC001123582868 935229779 /nfs/dbraw/zinc/22/97/79/935229779.db2.gz UFMMISRELNBBFU-XLIONFOSSA-N 1 2 378.524 3.764 20 30 GHEDLO C=CCC[C@H]1CCCN1c1nnc(C2CC[NH+](CCC#N)CC2)n1CC1CC1 ZINC001123632557 935242234 /nfs/dbraw/zinc/24/22/34/935242234.db2.gz CZPORBBWKRQEOY-FQEVSTJZSA-N 1 2 382.556 3.716 20 30 GHEDLO CC(C)OCC[NH+](CCOC(C)C)Cc1ccc(C#N)cc1Br ZINC001137637096 935651546 /nfs/dbraw/zinc/65/15/46/935651546.db2.gz ZRNDYZUJZADDLG-UHFFFAOYSA-N 1 2 383.330 3.973 20 30 GHEDLO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000467980595 1015095663 /nfs/dbraw/zinc/09/56/63/1015095663.db2.gz ZLJJUGZJTQKTPZ-CHWSQXEVSA-N 1 2 387.534 3.513 20 30 GHEDLO CC(=O)c1cc(C#N)ccc1OC[C@H]1C[N@H+](Cc2ccccc2)CC(C)(C)O1 ZINC001226972556 1032219241 /nfs/dbraw/zinc/21/92/41/1032219241.db2.gz MECJLEDFLDNKRL-HXUWFJFHSA-N 1 2 378.472 3.819 20 30 GHEDLO CC(=O)c1cc(C#N)ccc1OC[C@H]1C[N@@H+](Cc2ccccc2)CC(C)(C)O1 ZINC001226972556 1032219258 /nfs/dbraw/zinc/21/92/58/1032219258.db2.gz MECJLEDFLDNKRL-HXUWFJFHSA-N 1 2 378.472 3.819 20 30 GHEDLO CC[N@@H+]1CC[C@@H](Nc2nccc(C#N)c2Cl)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000561268035 1017825776 /nfs/dbraw/zinc/82/57/76/1017825776.db2.gz QGAXNUJTOBJWOB-RHSMWYFYSA-N 1 2 380.801 3.693 20 30 GHEDLO CC[N@H+]1CC[C@@H](Nc2nccc(C#N)c2Cl)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000561268035 1017825796 /nfs/dbraw/zinc/82/57/96/1017825796.db2.gz QGAXNUJTOBJWOB-RHSMWYFYSA-N 1 2 380.801 3.693 20 30 GHEDLO N#CC1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CCSCC1 ZINC000932511451 1018376747 /nfs/dbraw/zinc/37/67/47/1018376747.db2.gz CVATYZRQBRSYKC-MRXNPFEDSA-N 1 2 395.931 3.597 20 30 GHEDLO N#CC1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CCSCC1 ZINC000932511451 1018376764 /nfs/dbraw/zinc/37/67/64/1018376764.db2.gz CVATYZRQBRSYKC-MRXNPFEDSA-N 1 2 395.931 3.597 20 30 GHEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2ccnn2C2CCCC2)CC1 ZINC000562647554 1018477290 /nfs/dbraw/zinc/47/72/90/1018477290.db2.gz IMRIKDYGKJLTKX-UHFFFAOYSA-N 1 2 386.503 3.740 20 30 GHEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2ccccc2OCc2ccccc2)CC1 ZINC001204335684 1032777029 /nfs/dbraw/zinc/77/70/29/1032777029.db2.gz MUNSFAJNXOVGMV-UHFFFAOYSA-N 1 2 378.472 3.934 20 30 GHEDLO C[C@H](c1cnccn1)[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932941206 1018769504 /nfs/dbraw/zinc/76/95/04/1018769504.db2.gz BGWIBQZYPNYFFG-IWSPIJDZSA-N 1 2 375.263 3.640 20 30 GHEDLO Cc1[nH]c(CN2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)[nH+]c1C ZINC000932945232 1018776345 /nfs/dbraw/zinc/77/63/45/1018776345.db2.gz TWIFCDNFWPZCMC-IUCAKERBSA-N 1 2 377.279 3.629 20 30 GHEDLO Fc1cccc(C[NH+]2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n1 ZINC000932945204 1018776488 /nfs/dbraw/zinc/77/64/88/1018776488.db2.gz SRSGGROEMFHDJE-RKDXNWHRSA-N 1 2 378.238 3.824 20 30 GHEDLO Fc1ccc(C[NH+]2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)nc1 ZINC000932945507 1018776788 /nfs/dbraw/zinc/77/67/88/1018776788.db2.gz YRGMRECIBAYDHW-NXEZZACHSA-N 1 2 378.238 3.824 20 30 GHEDLO Cc1nc(COC[C@@H]2CCC[C@@]23C[N@H+](Cc2ccccc2C#N)CCO3)cs1 ZINC001204367232 1032808836 /nfs/dbraw/zinc/80/88/36/1032808836.db2.gz CSQPGORZEWXJMN-RBBKRZOGSA-N 1 2 397.544 3.911 20 30 GHEDLO Cc1nc(COC[C@@H]2CCC[C@@]23C[N@@H+](Cc2ccccc2C#N)CCO3)cs1 ZINC001204367232 1032808844 /nfs/dbraw/zinc/80/88/44/1032808844.db2.gz CSQPGORZEWXJMN-RBBKRZOGSA-N 1 2 397.544 3.911 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1cccc(OC(F)(F)F)c1 ZINC001204429278 1032862175 /nfs/dbraw/zinc/86/21/75/1032862175.db2.gz DIGJECJGLAGCEW-QGZVFWFLSA-N 1 2 381.398 3.621 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1cccc(OC(F)(F)F)c1 ZINC001204429278 1032862190 /nfs/dbraw/zinc/86/21/90/1032862190.db2.gz DIGJECJGLAGCEW-QGZVFWFLSA-N 1 2 381.398 3.621 20 30 GHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCc2ccc(CC#N)cc2)c(C)c1 ZINC000577488259 1020208729 /nfs/dbraw/zinc/20/87/29/1020208729.db2.gz RHPNZDHFKXFRMB-QFIPXVFZSA-N 1 2 387.487 3.807 20 30 GHEDLO O=C(C#Cc1ccc(C(F)(F)F)cc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000190709568 1020717171 /nfs/dbraw/zinc/71/71/71/1020717171.db2.gz FJTIOKMSKWOZCN-UHFFFAOYSA-N 1 2 388.389 3.528 20 30 GHEDLO CC(C)(C)OC(=O)N1CCc2nc(C[NH2+]Cc3cccc(C#N)c3)sc2C1 ZINC000835037196 1021795752 /nfs/dbraw/zinc/79/57/52/1021795752.db2.gz TVRLMQLDCBAQDW-UHFFFAOYSA-N 1 2 384.505 3.598 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1cnc3ccc(C)cn13)CC2 ZINC001137306132 1021860406 /nfs/dbraw/zinc/86/04/06/1021860406.db2.gz JVVJBZYDEIWUAM-UHFFFAOYSA-N 1 2 391.519 3.510 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1cnc3ccc(C)cn13)CC2 ZINC001137306132 1021860421 /nfs/dbraw/zinc/86/04/21/1021860421.db2.gz JVVJBZYDEIWUAM-UHFFFAOYSA-N 1 2 391.519 3.510 20 30 GHEDLO Cc1ccc(O[C@H](C)C(=O)N2CC[NH+](Cc3ccc(C#N)c(C)c3)CC2)c(C)c1 ZINC001204679782 1033028544 /nfs/dbraw/zinc/02/85/44/1033028544.db2.gz AKPDGCDPOWEUAC-HXUWFJFHSA-N 1 2 391.515 3.595 20 30 GHEDLO CCn1c2ccccc2nc1N1CC[NH+](Cc2cccc(C#N)c2Cl)CC1 ZINC001140814623 1022613219 /nfs/dbraw/zinc/61/32/19/1022613219.db2.gz ORLRIBUGZNYIRX-UHFFFAOYSA-N 1 2 379.895 3.903 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)/C=C/c2ccccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000754903707 1022959119 /nfs/dbraw/zinc/95/91/19/1022959119.db2.gz UYITVFLOIZSBJD-LACOWATDSA-N 1 2 383.854 3.926 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)/C=C/c2ccccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000754903707 1022959124 /nfs/dbraw/zinc/95/91/24/1022959124.db2.gz UYITVFLOIZSBJD-LACOWATDSA-N 1 2 383.854 3.926 20 30 GHEDLO C#Cc1cccc(NC(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)c1 ZINC000755604061 1023309645 /nfs/dbraw/zinc/30/96/45/1023309645.db2.gz NXZRHGZYSPQTAY-UHFFFAOYSA-N 1 2 397.276 3.751 20 30 GHEDLO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1sc(N)c(C#N)c1Cl ZINC001141108926 1023521444 /nfs/dbraw/zinc/52/14/44/1023521444.db2.gz JFIWBLUAYCGYLF-NSHDSACASA-N 1 2 384.933 3.735 20 30 GHEDLO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@H+]1Cc1sc(N)c(C#N)c1Cl ZINC001141108926 1023521447 /nfs/dbraw/zinc/52/14/47/1023521447.db2.gz JFIWBLUAYCGYLF-NSHDSACASA-N 1 2 384.933 3.735 20 30 GHEDLO Cc1csc([C@H]2C[C@@H]3CC[N@H+](Cc4sc(N)c(C#N)c4Cl)C[C@H]3O2)n1 ZINC001141109585 1023522218 /nfs/dbraw/zinc/52/22/18/1023522218.db2.gz QUCNNJOHHUFHSP-CYZMBNFOSA-N 1 2 394.953 3.972 20 30 GHEDLO Cc1csc([C@H]2C[C@@H]3CC[N@@H+](Cc4sc(N)c(C#N)c4Cl)C[C@H]3O2)n1 ZINC001141109585 1023522230 /nfs/dbraw/zinc/52/22/30/1023522230.db2.gz QUCNNJOHHUFHSP-CYZMBNFOSA-N 1 2 394.953 3.972 20 30 GHEDLO COC(=O)[C@@H]1CC[N@H+](Cc2sc(N)c(C#N)c2Cl)[C@H](c2ccccc2)C1 ZINC001141113057 1023529147 /nfs/dbraw/zinc/52/91/47/1023529147.db2.gz AXIRCVOWBAARPL-HIFRSBDPSA-N 1 2 389.908 3.982 20 30 GHEDLO COC(=O)[C@@H]1CC[N@@H+](Cc2sc(N)c(C#N)c2Cl)[C@H](c2ccccc2)C1 ZINC001141113057 1023529153 /nfs/dbraw/zinc/52/91/53/1023529153.db2.gz AXIRCVOWBAARPL-HIFRSBDPSA-N 1 2 389.908 3.982 20 30 GHEDLO N#Cc1c(N)sc(C[NH+]2CCC3(CC2)CC(=O)c2ccccc2O3)c1Cl ZINC001141114300 1023531501 /nfs/dbraw/zinc/53/15/01/1023531501.db2.gz LCQZLSXJJZJXBQ-UHFFFAOYSA-N 1 2 387.892 3.855 20 30 GHEDLO N#Cc1c(N)sc(C[NH+]2CCN(c3nccc4ccccc43)CC2)c1Cl ZINC001141114919 1023532528 /nfs/dbraw/zinc/53/25/28/1023532528.db2.gz ZAVLLLAUNZYQCO-UHFFFAOYSA-N 1 2 383.908 3.726 20 30 GHEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831539513 1024630242 /nfs/dbraw/zinc/63/02/42/1024630242.db2.gz STSZQMQTEDIWKB-AZUAARDMSA-N 1 2 379.416 3.560 20 30 GHEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831539513 1024630256 /nfs/dbraw/zinc/63/02/56/1024630256.db2.gz STSZQMQTEDIWKB-AZUAARDMSA-N 1 2 379.416 3.560 20 30 GHEDLO C=CC[NH+]1CCN(C(=O)c2cc3ccccc3n2-c2ccc(OC)cc2)CC1 ZINC001156857746 1033282802 /nfs/dbraw/zinc/28/28/02/1033282802.db2.gz YRRUPZVVMAUGFC-UHFFFAOYSA-N 1 2 375.472 3.583 20 30 GHEDLO N#Cc1sccc1C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC001141601472 1025827834 /nfs/dbraw/zinc/82/78/34/1025827834.db2.gz PXQCOBOIYXFVRB-HNNXBMFYSA-N 1 2 377.872 3.979 20 30 GHEDLO N#Cc1ccc(Br)c(CN2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)c1 ZINC001141664679 1026184148 /nfs/dbraw/zinc/18/41/48/1026184148.db2.gz WEARERFGZVIUDL-INIZCTEOSA-N 1 2 384.268 3.626 20 30 GHEDLO CCOC(CCCNc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(C)[nH+]1)OCC ZINC001163483765 1026209132 /nfs/dbraw/zinc/20/91/32/1026209132.db2.gz PPHCGNILUJOSND-SOKSQLDISA-N 1 2 383.558 3.862 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](Cc3cccn3Cc3cnc(Cl)s3)CC2)cc1 ZINC001139365621 1026242456 /nfs/dbraw/zinc/24/24/56/1026242456.db2.gz KBOVTMBULGPITP-UHFFFAOYSA-N 1 2 397.935 3.840 20 30 GHEDLO N#Cc1cccc(N2CC[NH+](Cc3cccn3Cc3cnc(Cl)s3)CC2)c1 ZINC001139370313 1026243244 /nfs/dbraw/zinc/24/32/44/1026243244.db2.gz UVISTRQDDDRJCJ-UHFFFAOYSA-N 1 2 397.935 3.840 20 30 GHEDLO COc1cccc(C[NH+]2CCN(Cc3ccc(-c4cc(C#N)ccn4)cc3)CC2)c1 ZINC001139404864 1026277866 /nfs/dbraw/zinc/27/78/66/1026277866.db2.gz BVMTURWCJCIUIZ-UHFFFAOYSA-N 1 2 398.510 3.947 20 30 GHEDLO [NH2+]=C(Nc1cc(CN2CCOCC2)ccc1F)c1ccc(C(F)(F)F)cc1 ZINC001163685118 1026282770 /nfs/dbraw/zinc/28/27/70/1026282770.db2.gz JWYSOUSSNWTKMU-UHFFFAOYSA-N 1 2 381.373 3.714 20 30 GHEDLO Cc1ccnc(N2CC[NH+](Cc3ccc(Oc4ccc(C#N)cc4)nc3)CC2)c1 ZINC001139425478 1026297104 /nfs/dbraw/zinc/29/71/04/1026297104.db2.gz PWEIYDAAFSMNHA-UHFFFAOYSA-N 1 2 385.471 3.771 20 30 GHEDLO N#Cc1c(Cl)cccc1C[N@@H+]1CCC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001139688717 1026539989 /nfs/dbraw/zinc/53/99/89/1026539989.db2.gz CFUPQVXNQXWMAE-GHTZIAJQSA-N 1 2 383.879 3.809 20 30 GHEDLO N#Cc1c(Cl)cccc1C[N@H+]1CCC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001139688717 1026539998 /nfs/dbraw/zinc/53/99/98/1026539998.db2.gz CFUPQVXNQXWMAE-GHTZIAJQSA-N 1 2 383.879 3.809 20 30 GHEDLO N#Cc1c(Cl)cccc1C[NH+]1CCC2(C[C@H](c3ccccc3)C(=O)N2)CC1 ZINC001139688748 1026540138 /nfs/dbraw/zinc/54/01/38/1026540138.db2.gz CVJKUMIPAKTYEF-GOSISDBHSA-N 1 2 379.891 3.850 20 30 GHEDLO C=CCN1C(=O)CC[C@]12CCCN(c1cc(C)c(C(=O)OCC)c(C)[nH+]1)[C@H]2CC ZINC001165595948 1026771038 /nfs/dbraw/zinc/77/10/38/1026771038.db2.gz ABGHYLFOBBWPDN-MBSDFSHPSA-N 1 2 399.535 3.801 20 30 GHEDLO CN1Cc2ccccc2CC2(CCN(c3[nH+]ccc4ccc(C#N)cc43)CC2)C1=O ZINC001166089952 1026914637 /nfs/dbraw/zinc/91/46/37/1026914637.db2.gz KVWGKWRRLMHYCW-UHFFFAOYSA-N 1 2 396.494 3.908 20 30 GHEDLO CCOC(=O)CCC1CC[NH+](Cc2cc(Br)ccc2C#N)CC1 ZINC001141903286 1027627777 /nfs/dbraw/zinc/62/77/77/1027627777.db2.gz YWXMXZUXXJTEKO-UHFFFAOYSA-N 1 2 379.298 3.876 20 30 GHEDLO Cc1cc(O[C@H]2C[NH2+]CC2(F)F)c(C(=O)/C=C/c2ccc(O)c(O)c2)cc1C ZINC001218231457 1030841120 /nfs/dbraw/zinc/84/11/20/1030841120.db2.gz KLGWISZIIXWWAC-GECPCNCSSA-N 1 2 389.398 3.597 20 30 GHEDLO CCc1ccc(C[NH+]2CCN(C(=O)[C@@H](C#N)CCc3ccccc3)CC2)cc1 ZINC001153437641 1031591099 /nfs/dbraw/zinc/59/10/99/1031591099.db2.gz OHCHHQFRBHCQGG-HSZRJFAPSA-N 1 2 375.516 3.666 20 30 GHEDLO COC(=O)c1ccc(C(=[NH2+])NC(O)=C(Cc2ccccc2)c2ccccc2)cc1 ZINC001220579686 1031997639 /nfs/dbraw/zinc/99/76/39/1031997639.db2.gz YSTSXCIGBBEXGN-OAQYLSRUSA-N 1 2 386.451 3.732 20 30 GHEDLO Cc1nc(O[C@H]2CCCC3(C2)OCCO3)c(C#N)cc1-c1ccc2[nH+]ccn2c1 ZINC001229768930 1033699135 /nfs/dbraw/zinc/69/91/35/1033699135.db2.gz PCGOQFRKACPOTB-SFHVURJKSA-N 1 2 390.443 3.641 20 30 GHEDLO CCOC(=O)[C@H]1CC[C@H](Oc2nc(C)c(-c3ccc4[nH+]ccn4c3)cc2C#N)C1 ZINC001229769058 1033700656 /nfs/dbraw/zinc/70/06/56/1033700656.db2.gz PZRXDNMAWXQEOR-YJBOKZPZSA-N 1 2 390.443 3.687 20 30 GHEDLO C=C[C@@]1(C)CC[C@H](Oc2nc(=O)[nH]c(CN3CCCC3=[NH2+])c2Cl)C(C)(C)O1 ZINC001230093612 1033895287 /nfs/dbraw/zinc/89/52/87/1033895287.db2.gz VQWIHRBYYOXUQG-DJJJIMSYSA-N 1 2 394.903 3.690 20 30 GHEDLO COC(=O)c1cccc(C[NH+](Cc2ccc(C#N)cc2)Cc2ccc(C#N)cc2)n1 ZINC001231427392 1034576603 /nfs/dbraw/zinc/57/66/03/1034576603.db2.gz GTTXOVKYXZRNNS-UHFFFAOYSA-N 1 2 396.450 3.814 20 30 GHEDLO C(#Cc1ccccc1C[N@@H+]1CCc2onc(Cn3cccn3)c2C1)c1ccccc1 ZINC001231578019 1034728394 /nfs/dbraw/zinc/72/83/94/1034728394.db2.gz GDXUSLJDYBRXND-UHFFFAOYSA-N 1 2 394.478 3.878 20 30 GHEDLO C(#Cc1ccccc1C[N@H+]1CCc2onc(Cn3cccn3)c2C1)c1ccccc1 ZINC001231578019 1034728403 /nfs/dbraw/zinc/72/84/03/1034728403.db2.gz GDXUSLJDYBRXND-UHFFFAOYSA-N 1 2 394.478 3.878 20 30 GHEDLO C#CC[N@@H+](CC1=CS[C@H](N)N1C(=O)OC(C)(C)C)[C@@H]1CCc2ccccc21 ZINC001208650922 1034968086 /nfs/dbraw/zinc/96/80/86/1034968086.db2.gz NXSKHMWVGXDHDR-RTBURBONSA-N 1 2 385.533 3.677 20 30 GHEDLO C#CC[N@H+](CC1=CS[C@H](N)N1C(=O)OC(C)(C)C)[C@@H]1CCc2ccccc21 ZINC001208650922 1034968089 /nfs/dbraw/zinc/96/80/89/1034968089.db2.gz NXSKHMWVGXDHDR-RTBURBONSA-N 1 2 385.533 3.677 20 30 GHEDLO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ncc(Br)cc1F)C2 ZINC001231986572 1035024801 /nfs/dbraw/zinc/02/48/01/1035024801.db2.gz UUVBFMLBRHOVRF-MSOLQXFVSA-N 1 2 399.304 3.557 20 30 GHEDLO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ncc(Br)cc1F)C2 ZINC001231986572 1035024812 /nfs/dbraw/zinc/02/48/12/1035024812.db2.gz UUVBFMLBRHOVRF-MSOLQXFVSA-N 1 2 399.304 3.557 20 30 GHEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2c(Br)[nH]c3ccccc32)CC1 ZINC001232143407 1035120708 /nfs/dbraw/zinc/12/07/08/1035120708.db2.gz COHVEURRCNPWAP-UHFFFAOYSA-N 1 2 390.281 3.599 20 30 GHEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1cc(Cl)cn3ccnc13)CCO2 ZINC001248443135 1035860460 /nfs/dbraw/zinc/86/04/60/1035860460.db2.gz JIYAVDDUDZTDGN-YLJYHZDGSA-N 1 2 375.900 3.561 20 30 GHEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1cc(Cl)cn3ccnc13)CCO2 ZINC001248443135 1035860483 /nfs/dbraw/zinc/86/04/83/1035860483.db2.gz JIYAVDDUDZTDGN-YLJYHZDGSA-N 1 2 375.900 3.561 20 30 GHEDLO N#C[C@H]1CC=C(c2ncccc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001243789624 1036281193 /nfs/dbraw/zinc/28/11/93/1036281193.db2.gz IUVPDZCQFVCCFN-IBGZPJMESA-N 1 2 386.499 3.747 20 30 GHEDLO N#CCc1c[nH]c2cccc(-c3ccc(OCC[NH+]4CCOCC4)cc3F)c12 ZINC001244136245 1036390486 /nfs/dbraw/zinc/39/04/86/1036390486.db2.gz VFAZYCPSQVAARK-UHFFFAOYSA-N 1 2 379.435 3.751 20 30 GHEDLO CCCCCCCOc1ccc(-c2noc([C@H](Cc3c[nH]c[nH+]3)NC=O)n2)cc1 ZINC001247268265 1038047308 /nfs/dbraw/zinc/04/73/08/1038047308.db2.gz AYFQVWFGNSAPKZ-IBGZPJMESA-N 1 2 397.479 3.839 20 30 GHEDLO CCCCCCCOc1ccc(-c2noc([C@H](Cc3c[nH+]c[nH]3)NC=O)n2)cc1 ZINC001247268265 1038047329 /nfs/dbraw/zinc/04/73/29/1038047329.db2.gz AYFQVWFGNSAPKZ-IBGZPJMESA-N 1 2 397.479 3.839 20 30 GHEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001232606330 1038389721 /nfs/dbraw/zinc/38/97/21/1038389721.db2.gz OBJPMYLWRLCFOT-JOCHJYFZSA-N 1 2 394.906 3.764 20 30 GHEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001232606330 1038389736 /nfs/dbraw/zinc/38/97/36/1038389736.db2.gz OBJPMYLWRLCFOT-JOCHJYFZSA-N 1 2 394.906 3.764 20 30 GHEDLO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3ccc(Cl)cc3C#N)C[C@H]12 ZINC001232607373 1038391346 /nfs/dbraw/zinc/39/13/46/1038391346.db2.gz MQHCLFXKQKXNBG-XZOQPEGZSA-N 1 2 393.918 3.976 20 30 GHEDLO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@@H+](Cc3ccc(Cl)cc3C#N)C[C@H]12 ZINC001232607373 1038391358 /nfs/dbraw/zinc/39/13/58/1038391358.db2.gz MQHCLFXKQKXNBG-XZOQPEGZSA-N 1 2 393.918 3.976 20 30 GHEDLO N#Cc1ccc(O)c(C[NH+]2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC001232677533 1038476525 /nfs/dbraw/zinc/47/65/25/1038476525.db2.gz FSCTXRMIOIRHDT-UHFFFAOYSA-N 1 2 375.394 3.600 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(-c2cccc(F)c2)nc1 ZINC001232886384 1038668857 /nfs/dbraw/zinc/66/88/57/1038668857.db2.gz ICZSEAXJVISJTC-JOCHJYFZSA-N 1 2 392.478 3.923 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(-c2cccc(F)c2)nc1 ZINC001232886384 1038668861 /nfs/dbraw/zinc/66/88/61/1038668861.db2.gz ICZSEAXJVISJTC-JOCHJYFZSA-N 1 2 392.478 3.923 20 30 GHEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2ccc(Br)c(C)c2C)CC1 ZINC001233222305 1038982522 /nfs/dbraw/zinc/98/25/22/1038982522.db2.gz OHMLYUOZIMGOSG-UHFFFAOYSA-N 1 2 379.298 3.735 20 30 GHEDLO C=C[C@](C)(O)C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccc(Cl)cc1 ZINC001252554507 1039031741 /nfs/dbraw/zinc/03/17/41/1039031741.db2.gz HYNXGPIBMZIBRJ-PXNSSMCTSA-N 1 2 380.916 3.871 20 30 GHEDLO C=C[C@](C)(O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccc(Cl)cc1 ZINC001252554507 1039031758 /nfs/dbraw/zinc/03/17/58/1039031758.db2.gz HYNXGPIBMZIBRJ-PXNSSMCTSA-N 1 2 380.916 3.871 20 30 GHEDLO C=CCCCCCC[C@H](O)C[N@@H+]1Cc2nnn(CC3CC3)c2[C@H](COCC)C1 ZINC001253234831 1039489767 /nfs/dbraw/zinc/48/97/67/1039489767.db2.gz FYJPMYRPUXGKPP-PMACEKPBSA-N 1 2 390.572 3.511 20 30 GHEDLO C=CCCCCCC[C@H](O)C[N@H+]1Cc2nnn(CC3CC3)c2[C@H](COCC)C1 ZINC001253234831 1039489774 /nfs/dbraw/zinc/48/97/74/1039489774.db2.gz FYJPMYRPUXGKPP-PMACEKPBSA-N 1 2 390.572 3.511 20 30 GHEDLO COc1cc(O)c(C(=O)/C=C/c2ccccc2)c(O[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001233817275 1039639928 /nfs/dbraw/zinc/63/99/28/1039639928.db2.gz VENRVXXSRPSSHJ-VQKOGROQSA-N 1 2 379.456 3.770 20 30 GHEDLO CCCCCCCCCCCC[C@@H](O)CN[C@@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001253565318 1039705758 /nfs/dbraw/zinc/70/57/58/1039705758.db2.gz MFHWWMVZBJAOFI-RTWAWAEBSA-N 1 2 395.588 3.766 20 30 GHEDLO CC[C@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2ccc(C#N)c(Br)c2)C1=O ZINC001277867722 1040151982 /nfs/dbraw/zinc/15/19/82/1040151982.db2.gz MRSUYIPAPOKWGS-IFXJQAMLSA-N 1 2 390.325 3.686 20 30 GHEDLO CC[C@H](C)N1CC[C@]2(CCC[N@H+]2Cc2ccc(C#N)c(Br)c2)C1=O ZINC001277867722 1040151989 /nfs/dbraw/zinc/15/19/89/1040151989.db2.gz MRSUYIPAPOKWGS-IFXJQAMLSA-N 1 2 390.325 3.686 20 30 GHEDLO COC(=O)[C@H](Cc1ccccc1)[NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254341125 1040176872 /nfs/dbraw/zinc/17/68/72/1040176872.db2.gz DDXPIAYZHKOIOM-QKDPSFTKSA-N 1 2 380.463 3.904 20 30 GHEDLO COc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c(OC(C)C)c1 ZINC001234720121 1040250020 /nfs/dbraw/zinc/25/00/20/1040250020.db2.gz IXWNNKGFSFONBM-UHFFFAOYSA-N 1 2 383.467 3.815 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1cc(O)cc(OCC)c1)CC2 ZINC001235396562 1040910799 /nfs/dbraw/zinc/91/07/99/1040910799.db2.gz YWWBOFIIILNRAD-UHFFFAOYSA-N 1 2 397.519 3.658 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1cc(O)cc(OCC)c1)CC2 ZINC001235396562 1040910803 /nfs/dbraw/zinc/91/08/03/1040910803.db2.gz YWWBOFIIILNRAD-UHFFFAOYSA-N 1 2 397.519 3.658 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(F)cc(C#N)cc1F ZINC001235653423 1041098580 /nfs/dbraw/zinc/09/85/80/1041098580.db2.gz ICSZRDUKLPXPAE-CABCVRRESA-N 1 2 377.435 3.810 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(F)cc(C#N)cc1F ZINC001235653423 1041098599 /nfs/dbraw/zinc/09/85/99/1041098599.db2.gz ICSZRDUKLPXPAE-CABCVRRESA-N 1 2 377.435 3.810 20 30 GHEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1[C@@H](C)CSc1ccc(F)cc1 ZINC001255743831 1041263702 /nfs/dbraw/zinc/26/37/02/1041263702.db2.gz WNFPBNXDAPFVLX-KXBFYZLASA-N 1 2 390.528 3.720 20 30 GHEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1[C@@H](C)CSc1ccc(F)cc1 ZINC001255743831 1041263715 /nfs/dbraw/zinc/26/37/15/1041263715.db2.gz WNFPBNXDAPFVLX-KXBFYZLASA-N 1 2 390.528 3.720 20 30 GHEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1ccc(-n3cccn3)c(Cl)c1)CC2 ZINC001236900232 1041946332 /nfs/dbraw/zinc/94/63/32/1041946332.db2.gz ZYCJHKHXYGWYAV-UHFFFAOYSA-N 1 2 397.910 3.520 20 30 GHEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1ccc(-n3cccn3)c(Cl)c1)CC2 ZINC001236900232 1041946335 /nfs/dbraw/zinc/94/63/35/1041946335.db2.gz ZYCJHKHXYGWYAV-UHFFFAOYSA-N 1 2 397.910 3.520 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(-n4ccnc4)c(Cl)c3)CC2)c(F)c1 ZINC001236911893 1041953444 /nfs/dbraw/zinc/95/34/44/1041953444.db2.gz NBVZQTPVIHEKJD-UHFFFAOYSA-N 1 2 395.869 3.859 20 30 GHEDLO Nc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#Cc4ccccc4)cc3)CC2)cc1 ZINC001237006070 1041987217 /nfs/dbraw/zinc/98/72/17/1041987217.db2.gz QTMOPTWLMRPFNX-UHFFFAOYSA-N 1 2 395.506 3.627 20 30 GHEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1ccc(C(F)F)c(OC)c1)CC2 ZINC001237273748 1042117991 /nfs/dbraw/zinc/11/79/91/1042117991.db2.gz ZESZKMGZTDCISM-UHFFFAOYSA-N 1 2 377.435 3.627 20 30 GHEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1ccc(C(F)F)c(OC)c1)CC2 ZINC001237273748 1042117994 /nfs/dbraw/zinc/11/79/94/1042117994.db2.gz ZESZKMGZTDCISM-UHFFFAOYSA-N 1 2 377.435 3.627 20 30 GHEDLO Cn1cc(C[NH+]2CCN(C(=O)c3ccccc3Cl)CC2)c2cc(C#N)ccc21 ZINC001237473476 1042224846 /nfs/dbraw/zinc/22/48/46/1042224846.db2.gz LBMRGBXQVJKLQZ-UHFFFAOYSA-N 1 2 392.890 3.661 20 30 GHEDLO N#Cc1cc(Cl)cc(C[N@H+]2Cc3cncn3C[C@H](COc3ccccn3)C2)c1 ZINC001237758065 1042356149 /nfs/dbraw/zinc/35/61/49/1042356149.db2.gz WPGUMECESIKRLD-GOSISDBHSA-N 1 2 393.878 3.514 20 30 GHEDLO N#Cc1cc(Cl)cc(C[N@@H+]2Cc3cncn3C[C@H](COc3ccccn3)C2)c1 ZINC001237758065 1042356158 /nfs/dbraw/zinc/35/61/58/1042356158.db2.gz WPGUMECESIKRLD-GOSISDBHSA-N 1 2 393.878 3.514 20 30 GHEDLO CN(Cc1ccco1)[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)[C@@H]2CCCO[C@H]12 ZINC001238084928 1042486707 /nfs/dbraw/zinc/48/67/07/1042486707.db2.gz XKSVJOKUHMXWTC-NJYVYQBISA-N 1 2 385.895 3.668 20 30 GHEDLO CN(Cc1ccco1)[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)[C@@H]2CCCO[C@H]12 ZINC001238084928 1042486709 /nfs/dbraw/zinc/48/67/09/1042486709.db2.gz XKSVJOKUHMXWTC-NJYVYQBISA-N 1 2 385.895 3.668 20 30 GHEDLO N#CC1(c2cccc(-c3ccc(OCC[NH+]4CCOCC4)cc3)c2)CCOCC1 ZINC001240451010 1042930993 /nfs/dbraw/zinc/93/09/93/1042930993.db2.gz HVGMZARZKUUSLZ-UHFFFAOYSA-N 1 2 392.499 3.636 20 30 GHEDLO N#Cc1cc2ccc(-c3ccc(OCC[NH+]4CCOCC4)cc3)cc2cc1C#N ZINC001240451862 1042931655 /nfs/dbraw/zinc/93/16/55/1042931655.db2.gz VOHDZRIQFNQMLR-UHFFFAOYSA-N 1 2 383.451 3.961 20 30 GHEDLO CC[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001291480688 1043295825 /nfs/dbraw/zinc/29/58/25/1043295825.db2.gz HETVJDQKDVWYJG-QGZVFWFLSA-N 1 2 389.507 3.766 20 30 GHEDLO CC(C)[C@@H](C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001298261479 1045756523 /nfs/dbraw/zinc/75/65/23/1045756523.db2.gz RWGBVRFFOWMBOX-YRNRMSPPSA-N 1 2 387.524 3.808 20 30 GHEDLO CC(C)[C@@H](C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001298261479 1045756541 /nfs/dbraw/zinc/75/65/41/1045756541.db2.gz RWGBVRFFOWMBOX-YRNRMSPPSA-N 1 2 387.524 3.808 20 30 GHEDLO C=C(C)CN(CC)c1nnc(-c2ccccc2OC)n1Cc1c[nH+]ccc1OC ZINC001300907651 1046235107 /nfs/dbraw/zinc/23/51/07/1046235107.db2.gz NSXBIKKSUYDIRD-UHFFFAOYSA-N 1 2 393.491 3.808 20 30 GHEDLO C=C(C)Cn1c(CC2CC2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001300958930 1046260295 /nfs/dbraw/zinc/26/02/95/1046260295.db2.gz YORXVFJGPNVVCR-UHFFFAOYSA-N 1 2 385.943 3.782 20 30 GHEDLO C=CC[C@@H]1N(c2nnc([C@H]3CCC[N@H+]3C)n2C[C@@H]2CCOC2)CCCC1(C)C ZINC001263570686 1046956262 /nfs/dbraw/zinc/95/62/62/1046956262.db2.gz IAHYGHYSLFFIDL-OTWHNJEPSA-N 1 2 387.572 3.652 20 30 GHEDLO C=CC[C@@H]1N(c2nnc([C@H]3CCC[N@@H+]3C)n2C[C@@H]2CCOC2)CCCC1(C)C ZINC001263570686 1046956267 /nfs/dbraw/zinc/95/62/67/1046956267.db2.gz IAHYGHYSLFFIDL-OTWHNJEPSA-N 1 2 387.572 3.652 20 30 GHEDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)Nc3ccc(OC)c(C#N)c3)c2C1 ZINC001302692453 1047044123 /nfs/dbraw/zinc/04/41/23/1047044123.db2.gz JRUPBFLYKLASGW-UHFFFAOYSA-N 1 2 386.455 3.745 20 30 GHEDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)Nc3ccc(OC)c(C#N)c3)c2C1 ZINC001302692453 1047044135 /nfs/dbraw/zinc/04/41/35/1047044135.db2.gz JRUPBFLYKLASGW-UHFFFAOYSA-N 1 2 386.455 3.745 20 30 GHEDLO C#C[C@H](C)N(C)c1nnc([C@@H](C)CC)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001286275638 1048247094 /nfs/dbraw/zinc/24/70/94/1048247094.db2.gz SUYIIDXCKIRNEB-ROUUACIJSA-N 1 2 376.508 3.543 20 30 GHEDLO C#C[C@H](C)N(C)c1nnc(-c2ccc(C)o2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001286281711 1048251696 /nfs/dbraw/zinc/25/16/96/1048251696.db2.gz KTRQYXYYCDDESV-INIZCTEOSA-N 1 2 392.507 3.594 20 30 GHEDLO C#CCN(CC)c1nnc(Cc2ccc(F)cc2)n1CCCc1cccc(C)[nH+]1 ZINC001286446181 1048326656 /nfs/dbraw/zinc/32/66/56/1048326656.db2.gz FYHGAEWLTLRHAG-UHFFFAOYSA-N 1 2 391.494 3.804 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2C[C@@H](c2ccccc2)C2CC2)CC1 ZINC001286471231 1048336991 /nfs/dbraw/zinc/33/69/91/1048336991.db2.gz HTLFBSMMIKREIH-UGKGYDQZSA-N 1 2 391.563 3.741 20 30 GHEDLO C=C(C)CN(CC)c1nnc(-c2ccccc2C)n1CC1([NH+]2CCOCC2)CC1 ZINC001286570690 1048370177 /nfs/dbraw/zinc/37/01/77/1048370177.db2.gz FNQSLZQTUWGVDA-UHFFFAOYSA-N 1 2 395.551 3.521 20 30 GHEDLO CCC#C[C@@H](C)[NH+]1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC001307437188 1049272964 /nfs/dbraw/zinc/27/29/64/1049272964.db2.gz CHLVDUYRAOFTGR-HXUWFJFHSA-N 1 2 376.500 3.825 20 30 GHEDLO CC(C)OC(=O)c1ccc(C[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cc1 ZINC001307674813 1049496738 /nfs/dbraw/zinc/49/67/38/1049496738.db2.gz IZUVREIVLWCQJL-QFIPXVFZSA-N 1 2 395.478 3.773 20 30 GHEDLO C=CC[N@H+](CC(=O)Nc1nc(-c2c[nH]c3ccccc32)cs1)[C@@H](C)COC ZINC001307924793 1049698537 /nfs/dbraw/zinc/69/85/37/1049698537.db2.gz SZIBNQSUCORIBY-AWEZNQCLSA-N 1 2 384.505 3.753 20 30 GHEDLO C=CC[N@@H+](CC(=O)Nc1nc(-c2c[nH]c3ccccc32)cs1)[C@@H](C)COC ZINC001307924793 1049698538 /nfs/dbraw/zinc/69/85/38/1049698538.db2.gz SZIBNQSUCORIBY-AWEZNQCLSA-N 1 2 384.505 3.753 20 30 GHEDLO N#Cc1ccc(C2CC[NH+](CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 ZINC001308115513 1049860485 /nfs/dbraw/zinc/86/04/85/1049860485.db2.gz ZKOJIKJJKXJSAA-UHFFFAOYSA-N 1 2 398.850 3.938 20 30 GHEDLO C=CCn1c(=S)n(C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)nc1-c1ccncc1 ZINC001330664438 1051060063 /nfs/dbraw/zinc/06/00/63/1051060063.db2.gz IDZVNRGNZWWPJH-RBUKOAKNSA-N 1 2 399.564 3.901 20 30 GHEDLO C=CCn1c(=S)n(C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)nc1-c1ccncc1 ZINC001330664438 1051060074 /nfs/dbraw/zinc/06/00/74/1051060074.db2.gz IDZVNRGNZWWPJH-RBUKOAKNSA-N 1 2 399.564 3.901 20 30 GHEDLO C#Cc1ccc(CNC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC001311953006 1052497460 /nfs/dbraw/zinc/49/74/60/1052497460.db2.gz IAJMRVNSCVVCRW-FQEVSTJZSA-N 1 2 399.897 3.924 20 30 GHEDLO C#Cc1ccc(CNC(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC001311953006 1052497482 /nfs/dbraw/zinc/49/74/82/1052497482.db2.gz IAJMRVNSCVVCRW-FQEVSTJZSA-N 1 2 399.897 3.924 20 30 GHEDLO CC[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC001312356151 1052709856 /nfs/dbraw/zinc/70/98/56/1052709856.db2.gz ZZGWANRNMRYLEX-OAQYLSRUSA-N 1 2 380.467 3.676 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N(C)Cc1cnn(CC)c1 ZINC001342298532 1053086524 /nfs/dbraw/zinc/08/65/24/1053086524.db2.gz IKILQVXHZNTNMW-SFHVURJKSA-N 1 2 393.539 3.510 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N(C)Cc1cnn(CC)c1 ZINC001342298532 1053086535 /nfs/dbraw/zinc/08/65/35/1053086535.db2.gz IKILQVXHZNTNMW-SFHVURJKSA-N 1 2 393.539 3.510 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC2(CCSCC2)CC1 ZINC001342671510 1053290551 /nfs/dbraw/zinc/29/05/51/1053290551.db2.gz CIZQNZQEGVTMFZ-QGZVFWFLSA-N 1 2 375.586 3.735 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC2(CCSCC2)CC1 ZINC001342671510 1053290565 /nfs/dbraw/zinc/29/05/65/1053290565.db2.gz CIZQNZQEGVTMFZ-QGZVFWFLSA-N 1 2 375.586 3.735 20 30 GHEDLO C=C(C)Cn1c(Cc2ccoc2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001342981029 1053476608 /nfs/dbraw/zinc/47/66/08/1053476608.db2.gz WXWNAFNRNVXFDV-UHFFFAOYSA-N 1 2 378.480 3.514 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC(c2ccc(O)cc2)CC1 ZINC001343458040 1053783695 /nfs/dbraw/zinc/78/36/95/1053783695.db2.gz UVHRWZHSBWLGQT-FQEVSTJZSA-N 1 2 381.524 3.711 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC(c2ccc(O)cc2)CC1 ZINC001343458040 1053783706 /nfs/dbraw/zinc/78/37/06/1053783706.db2.gz UVHRWZHSBWLGQT-FQEVSTJZSA-N 1 2 381.524 3.711 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[C@@H](Cc2nccs2)C1 ZINC001343927700 1054123517 /nfs/dbraw/zinc/12/35/17/1054123517.db2.gz JPPUWLRXDYTVIK-DLBZAZTESA-N 1 2 386.569 3.537 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@H](Cc2nccs2)C1 ZINC001343927700 1054123525 /nfs/dbraw/zinc/12/35/25/1054123525.db2.gz JPPUWLRXDYTVIK-DLBZAZTESA-N 1 2 386.569 3.537 20 30 GHEDLO C#CCOc1cccc(Cl)c1C[NH2+]Cc1cccc(OCC(F)(F)F)n1 ZINC001343960386 1054146044 /nfs/dbraw/zinc/14/60/44/1054146044.db2.gz YJIFYSHPMVJRHD-UHFFFAOYSA-N 1 2 384.785 3.978 20 30 GHEDLO C=C(C)CN(C)c1nnc([C@@H](C)[N@H+](C)Cc2ccccc2)n1C[C@H]1CCOC1 ZINC001344430579 1054458826 /nfs/dbraw/zinc/45/88/26/1054458826.db2.gz CWNCECUGFUGVMX-UYAOXDASSA-N 1 2 383.540 3.520 20 30 GHEDLO C=C(C)CN(C)c1nnc([C@@H](C)[N@@H+](C)Cc2ccccc2)n1C[C@H]1CCOC1 ZINC001344430579 1054458838 /nfs/dbraw/zinc/45/88/38/1054458838.db2.gz CWNCECUGFUGVMX-UYAOXDASSA-N 1 2 383.540 3.520 20 30 GHEDLO C=CCN(CC=C)c1nnc(C2CC[NH+](CCC#N)CC2)n1Cc1cccs1 ZINC001344910595 1054799135 /nfs/dbraw/zinc/79/91/35/1054799135.db2.gz OAYXLKWSMUVBLJ-UHFFFAOYSA-N 1 2 396.564 3.659 20 30 GHEDLO C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCC[N@H+]2C)n1C[C@H]1CCOC1 ZINC001345330965 1054991476 /nfs/dbraw/zinc/99/14/76/1054991476.db2.gz LCFIGLDJWXDHRR-RTWAWAEBSA-N 1 2 395.551 3.664 20 30 GHEDLO C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCC[N@@H+]2C)n1C[C@H]1CCOC1 ZINC001345330965 1054991485 /nfs/dbraw/zinc/99/14/85/1054991485.db2.gz LCFIGLDJWXDHRR-RTWAWAEBSA-N 1 2 395.551 3.664 20 30 GHEDLO C=CCO[C@H]1CCN(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC001320064972 1055631398 /nfs/dbraw/zinc/63/13/98/1055631398.db2.gz YBFDKDPRGAXETF-MAUKXSAKSA-N 1 2 395.906 3.603 20 30 GHEDLO C#CCN(CC)c1nnc(CC2CCCC2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001300633558 1056734046 /nfs/dbraw/zinc/73/40/46/1056734046.db2.gz KTXTXNPSDVFRNE-IBGZPJMESA-N 1 2 380.540 3.553 20 30 GHEDLO Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[NH+]2CCC(C)(C#N)CC2)cs1 ZINC001323596326 1056989128 /nfs/dbraw/zinc/98/91/28/1056989128.db2.gz SMBDRHZYTXPADB-UHFFFAOYSA-N 1 2 380.517 3.633 20 30 GHEDLO C=C(C)Cn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC2(CCO2)CC1 ZINC001356200714 1057426810 /nfs/dbraw/zinc/42/68/10/1057426810.db2.gz WETOOHPRCKGSFR-LJQANCHMSA-N 1 2 395.551 3.807 20 30 GHEDLO C=C(C)Cn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC2(CCO2)CC1 ZINC001356200714 1057426815 /nfs/dbraw/zinc/42/68/15/1057426815.db2.gz WETOOHPRCKGSFR-LJQANCHMSA-N 1 2 395.551 3.807 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N(C)C[C@H]1CCCOC1 ZINC001339773828 1059458672 /nfs/dbraw/zinc/45/86/72/1059458672.db2.gz FYXLAGATWAFYEH-AZUAARDMSA-N 1 2 383.540 3.520 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N(C)C[C@H]1CCCOC1 ZINC001339773828 1059458687 /nfs/dbraw/zinc/45/86/87/1059458687.db2.gz FYXLAGATWAFYEH-AZUAARDMSA-N 1 2 383.540 3.520 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N(C)Cc1c(C)noc1C ZINC001340490734 1059950187 /nfs/dbraw/zinc/95/01/87/1059950187.db2.gz LLBXMFMICJQAPB-KRWDZBQOSA-N 1 2 394.523 3.898 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N(C)Cc1c(C)noc1C ZINC001340490734 1059950200 /nfs/dbraw/zinc/95/02/00/1059950200.db2.gz LLBXMFMICJQAPB-KRWDZBQOSA-N 1 2 394.523 3.898 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCc2cccc(Cl)c2C1 ZINC001341034498 1060345593 /nfs/dbraw/zinc/34/55/93/1060345593.db2.gz BNKAFFXNMAANKX-UHFFFAOYSA-N 1 2 398.942 3.607 20 30 GHEDLO C=C(C)Cn1c([C@H](C)OC(C)(C)C)nnc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001342006006 1060993369 /nfs/dbraw/zinc/99/33/69/1060993369.db2.gz VRQQIDSWVLZMGH-INIZCTEOSA-N 1 2 398.555 3.754 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCS[C@@H](c2ccccc2)C1 ZINC001346188037 1061436844 /nfs/dbraw/zinc/43/68/44/1061436844.db2.gz ORYRJTSLYDFHIG-RTBURBONSA-N 1 2 383.565 3.915 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCS[C@@H](c2ccccc2)C1 ZINC001346188037 1061436856 /nfs/dbraw/zinc/43/68/56/1061436856.db2.gz ORYRJTSLYDFHIG-RTBURBONSA-N 1 2 383.565 3.915 20 30 GHEDLO C=CCO[C@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2)C1 ZINC001347170816 1062183630 /nfs/dbraw/zinc/18/36/30/1062183630.db2.gz NGCXNTVKPBGRAD-AWEZNQCLSA-N 1 2 375.104 3.989 20 30 GHEDLO C=CCO[C@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2)C1 ZINC001347170816 1062183648 /nfs/dbraw/zinc/18/36/48/1062183648.db2.gz NGCXNTVKPBGRAD-AWEZNQCLSA-N 1 2 375.104 3.989 20 30 GHEDLO C[C@@H]1C[C@H](C)CN1c1nnc(C2CC[NH+](CCC#N)CC2)n1Cc1cccs1 ZINC001348392526 1063045826 /nfs/dbraw/zinc/04/58/26/1063045826.db2.gz QZMIZEQCWMFCTB-DLBZAZTESA-N 1 2 398.580 3.716 20 30 GHEDLO C=CCCN(CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)OCc1ccccc1 ZINC001459970908 1064310981 /nfs/dbraw/zinc/31/09/81/1064310981.db2.gz DBSZREFJQVXCBS-UHFFFAOYSA-N 1 2 389.540 3.549 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3-c3ccncc3)CC2)cc1 ZINC001463587308 1064482980 /nfs/dbraw/zinc/48/29/80/1064482980.db2.gz IPNYHZCCSLNOCI-UHFFFAOYSA-N 1 2 382.467 3.578 20 30 GHEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC001465431722 1065608170 /nfs/dbraw/zinc/60/81/70/1065608170.db2.gz OZOOHVVYBHMHGQ-INIZCTEOSA-N 1 2 388.431 3.500 20 30 GHEDLO CC[C@@H]1CCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2Cc2ccccc2)C1 ZINC001357874440 1067315869 /nfs/dbraw/zinc/31/58/69/1067315869.db2.gz VAPBAVYPMORWRV-LJQANCHMSA-N 1 2 392.551 3.656 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2C[C@@H]2CCCc3ccccc32)CC1 ZINC001359029450 1067659192 /nfs/dbraw/zinc/65/91/92/1067659192.db2.gz YFJRKLZEICSRKB-FPOVZHCZSA-N 1 2 391.563 3.667 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCCCC(F)(F)C2)CC1 ZINC001359029195 1067659612 /nfs/dbraw/zinc/65/96/12/1067659612.db2.gz RCANIBUJSXOVDX-KRWDZBQOSA-N 1 2 393.526 3.546 20 30 GHEDLO C#Cc1cccc(CNC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC001477864444 1078599698 /nfs/dbraw/zinc/59/96/98/1078599698.db2.gz STXXDEOZDPCRQP-HXUWFJFHSA-N 1 2 399.897 3.924 20 30 GHEDLO C#Cc1cccc(CNC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC001477864444 1078599702 /nfs/dbraw/zinc/59/97/02/1078599702.db2.gz STXXDEOZDPCRQP-HXUWFJFHSA-N 1 2 399.897 3.924 20 30 GHEDLO C[C@@H](C#N)CN(C)c1nnc(C2CCC2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001359472270 1068068756 /nfs/dbraw/zinc/06/87/56/1068068756.db2.gz IXNFICBCZKWJSG-KRWDZBQOSA-N 1 2 393.539 3.575 20 30 GHEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](C[C@@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC001460605666 1069022925 /nfs/dbraw/zinc/02/29/25/1069022925.db2.gz NMQBTZZBGMJLLA-IEBWSBKVSA-N 1 2 375.394 3.691 20 30 GHEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](C[C@@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC001460605666 1069022941 /nfs/dbraw/zinc/02/29/41/1069022941.db2.gz NMQBTZZBGMJLLA-IEBWSBKVSA-N 1 2 375.394 3.691 20 30 GHEDLO C#C[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)c1ccc(Cl)cc1 ZINC001460792515 1069182072 /nfs/dbraw/zinc/18/20/72/1069182072.db2.gz PHCWBYILPXSKQL-WOJBJXKFSA-N 1 2 384.932 3.921 20 30 GHEDLO C[N@H+](Cc1cc(C#N)cs1)[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC001460852513 1069222232 /nfs/dbraw/zinc/22/22/32/1069222232.db2.gz WBMZMFAOIXXWRT-INIZCTEOSA-N 1 2 395.406 3.756 20 30 GHEDLO C[N@@H+](Cc1cc(C#N)cs1)[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC001460852513 1069222241 /nfs/dbraw/zinc/22/22/41/1069222241.db2.gz WBMZMFAOIXXWRT-INIZCTEOSA-N 1 2 395.406 3.756 20 30 GHEDLO C=CC[N@H+](CC(=O)Nc1ccccc1SCC#N)Cc1cccc(C#N)c1 ZINC000173260112 837600994 /nfs/dbraw/zinc/60/09/94/837600994.db2.gz QTUZUQWWPZCYAC-UHFFFAOYSA-N 1 2 376.485 3.801 20 30 GHEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1SCC#N)Cc1cccc(C#N)c1 ZINC000173260112 837600996 /nfs/dbraw/zinc/60/09/96/837600996.db2.gz QTUZUQWWPZCYAC-UHFFFAOYSA-N 1 2 376.485 3.801 20 30 GHEDLO O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000329823216 834676029 /nfs/dbraw/zinc/67/60/29/834676029.db2.gz ZKCCKKQKMSNUFN-GXFFZTMASA-N 1 2 381.263 3.944 20 30 GHEDLO C=CCn1c2ccccc2n(C[NH+]2CCC(C(=O)N(CC)CC)CC2)c1=S ZINC000120225863 834942358 /nfs/dbraw/zinc/94/23/58/834942358.db2.gz CEARLXRGAQUIBU-UHFFFAOYSA-N 1 2 386.565 3.896 20 30 GHEDLO COc1ccc2c(c1)CCC[N@@H+](CC(=O)[C@@H](C#N)c1nc3ccccc3s1)C2 ZINC000728575114 834954062 /nfs/dbraw/zinc/95/40/62/834954062.db2.gz QHNCBHPVAPVTQY-GOSISDBHSA-N 1 2 391.496 3.930 20 30 GHEDLO COc1ccc2c(c1)CCC[N@H+](CC(=O)[C@@H](C#N)c1nc3ccccc3s1)C2 ZINC000728575114 834954071 /nfs/dbraw/zinc/95/40/71/834954071.db2.gz QHNCBHPVAPVTQY-GOSISDBHSA-N 1 2 391.496 3.930 20 30 GHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000512506295 844030539 /nfs/dbraw/zinc/03/05/39/844030539.db2.gz JNSVQNACQYSVSV-HXUWFJFHSA-N 1 2 397.479 3.556 20 30 GHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000512506295 844030545 /nfs/dbraw/zinc/03/05/45/844030545.db2.gz JNSVQNACQYSVSV-HXUWFJFHSA-N 1 2 397.479 3.556 20 30 GHEDLO C=CCn1c(-c2cccnc2)nnc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000548852479 835294530 /nfs/dbraw/zinc/29/45/30/835294530.db2.gz ZOKMCZTXBJABHO-UHFFFAOYSA-N 1 2 394.910 3.502 20 30 GHEDLO C[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1ccc2c(c1)OCO2 ZINC000070755363 835375754 /nfs/dbraw/zinc/37/57/54/835375754.db2.gz SCQIGBIMUYKDRE-UHFFFAOYSA-N 1 2 375.428 3.598 20 30 GHEDLO C[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1ccc2c(c1)OCO2 ZINC000070755363 835375762 /nfs/dbraw/zinc/37/57/62/835375762.db2.gz SCQIGBIMUYKDRE-UHFFFAOYSA-N 1 2 375.428 3.598 20 30 GHEDLO C[NH+](C)CCn1c(=O)oc2ccc(N=Cc3cc(Cl)cc(Cl)c3O)cc21 ZINC000254977988 835479699 /nfs/dbraw/zinc/47/96/99/835479699.db2.gz XUDLQPPHZKSYRD-UHFFFAOYSA-N 1 2 394.258 3.919 20 30 GHEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H](CCCC#N)c2ccccc2)CC1 ZINC000458795649 835582432 /nfs/dbraw/zinc/58/24/32/835582432.db2.gz CUBZUPAXCLNSKV-UGKGYDQZSA-N 1 2 391.519 3.905 20 30 GHEDLO C[C@]1(C#N)CCCN(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000612358021 836112993 /nfs/dbraw/zinc/11/29/93/836112993.db2.gz JMDIGFSOGMJYTI-YLJYHZDGSA-N 1 2 392.906 3.951 20 30 GHEDLO C=CCn1c(C2CCCC2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000548945297 836490188 /nfs/dbraw/zinc/49/01/88/836490188.db2.gz CEJMWNFVNOZTQZ-UHFFFAOYSA-N 1 2 395.555 3.670 20 30 GHEDLO COc1cc(C)c(NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1OC ZINC000328637269 836513451 /nfs/dbraw/zinc/51/34/51/836513451.db2.gz ASVKHDHZJMCXOC-INIZCTEOSA-N 1 2 398.507 3.970 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(OC(F)F)c(Cl)c3)CC2)nc1 ZINC000179989012 836534259 /nfs/dbraw/zinc/53/42/59/836534259.db2.gz YVYFOIWOBXXFAR-UHFFFAOYSA-N 1 2 378.810 3.530 20 30 GHEDLO C[C@](O)(C1CC[NH+](Cc2ccc(C#N)cc2Br)CC1)C(F)(F)F ZINC000613499313 836586733 /nfs/dbraw/zinc/58/67/33/836586733.db2.gz IBJCUKRHWNOZCS-HNNXBMFYSA-N 1 2 391.231 3.846 20 30 GHEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCO[C@@H](c4ccco4)C3)sc2C1 ZINC000247067258 836714459 /nfs/dbraw/zinc/71/44/59/836714459.db2.gz WOFKCZKLRJXOGB-KBXCAEBGSA-N 1 2 399.516 3.740 20 30 GHEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCO[C@@H](c4ccco4)C3)sc2C1 ZINC000247067258 836714465 /nfs/dbraw/zinc/71/44/65/836714465.db2.gz WOFKCZKLRJXOGB-KBXCAEBGSA-N 1 2 399.516 3.740 20 30 GHEDLO N#Cc1c(CO[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)cn2ccccc12 ZINC000177571490 836798758 /nfs/dbraw/zinc/79/87/58/836798758.db2.gz VRKYGCXZLHRWTF-UHFFFAOYSA-N 1 2 397.438 3.622 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(F)c(C4CC4)c3)CC2)cc1 ZINC000580444764 837346152 /nfs/dbraw/zinc/34/61/52/837346152.db2.gz RYAUNDKRMBKRFN-UHFFFAOYSA-N 1 2 378.451 3.924 20 30 GHEDLO Cc1cccc(NC2CC[NH+]([C@@H]3CCN(c4sccc4C#N)C3=O)CC2)c1 ZINC000177126378 837871096 /nfs/dbraw/zinc/87/10/96/837871096.db2.gz VIACRNYFZYLJKM-LJQANCHMSA-N 1 2 380.517 3.610 20 30 GHEDLO C[C@H](Nc1c2[nH+]ccn2ccc1I)c1cccc(C#N)c1 ZINC001167710059 838326240 /nfs/dbraw/zinc/32/62/40/838326240.db2.gz KLYPYDINPYBGOB-NSHDSACASA-N 1 2 388.212 3.984 20 30 GHEDLO CCc1ccc(C[NH+]2CCN(C(=O)Nc3ccccc3O[C@H](C)C#N)CC2)s1 ZINC000180091278 838509775 /nfs/dbraw/zinc/50/97/75/838509775.db2.gz BVJIYXRPJSAVCI-MRXNPFEDSA-N 1 2 398.532 3.951 20 30 GHEDLO N#CCCn1cc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c(-c2ccccc2)n1 ZINC000377254616 839181318 /nfs/dbraw/zinc/18/13/18/839181318.db2.gz VZALRKPPHWSPJI-QHCPKHFHSA-N 1 2 397.482 3.909 20 30 GHEDLO N#CCCn1cc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c(-c2ccccc2)n1 ZINC000377254616 839181327 /nfs/dbraw/zinc/18/13/27/839181327.db2.gz VZALRKPPHWSPJI-QHCPKHFHSA-N 1 2 397.482 3.909 20 30 GHEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000053715249 840322937 /nfs/dbraw/zinc/32/29/37/840322937.db2.gz FZTRMBPLJHIHLK-RHSMWYFYSA-N 1 2 378.314 3.594 20 30 GHEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000053715249 840322948 /nfs/dbraw/zinc/32/29/48/840322948.db2.gz FZTRMBPLJHIHLK-RHSMWYFYSA-N 1 2 378.314 3.594 20 30 GHEDLO COc1cccc2c1CC[N@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)C2 ZINC000543872877 841062189 /nfs/dbraw/zinc/06/21/89/841062189.db2.gz YXCOISIUMHCUEY-UHFFFAOYSA-N 1 2 377.488 3.617 20 30 GHEDLO COc1cccc2c1CC[N@@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)C2 ZINC000543872877 841062202 /nfs/dbraw/zinc/06/22/02/841062202.db2.gz YXCOISIUMHCUEY-UHFFFAOYSA-N 1 2 377.488 3.617 20 30 GHEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(Cl)ccc2OCc2cccnc2)C1=O ZINC000500015524 841261677 /nfs/dbraw/zinc/26/16/77/841261677.db2.gz DLKNRKYXFXWYNF-IBGZPJMESA-N 1 2 385.895 3.533 20 30 GHEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(Cl)ccc2OCc2cccnc2)C1=O ZINC000500015524 841261689 /nfs/dbraw/zinc/26/16/89/841261689.db2.gz DLKNRKYXFXWYNF-IBGZPJMESA-N 1 2 385.895 3.533 20 30 GHEDLO C=CC[N@H+](CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)[C@H](C)COC ZINC000661247077 841569952 /nfs/dbraw/zinc/56/99/52/841569952.db2.gz LZZNFXMTVHHBNW-WBVHZDCISA-N 1 2 387.505 3.542 20 30 GHEDLO C=CC[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)[C@H](C)COC ZINC000661247077 841569963 /nfs/dbraw/zinc/56/99/63/841569963.db2.gz LZZNFXMTVHHBNW-WBVHZDCISA-N 1 2 387.505 3.542 20 30 GHEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)c(C#N)c1C ZINC000157258210 841712517 /nfs/dbraw/zinc/71/25/17/841712517.db2.gz MBXFTPHYCFYLEN-KRWDZBQOSA-N 1 2 397.500 3.783 20 30 GHEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)c(C#N)c1C ZINC000157258210 841712524 /nfs/dbraw/zinc/71/25/24/841712524.db2.gz MBXFTPHYCFYLEN-KRWDZBQOSA-N 1 2 397.500 3.783 20 30 GHEDLO CC(C)(C)c1ccc(S(=O)(=O)N2CC[NH+](CCCC(C)(C)C#N)CC2)cc1 ZINC000471715915 842239258 /nfs/dbraw/zinc/23/92/58/842239258.db2.gz VCQYOOZVPAVBHN-UHFFFAOYSA-N 1 2 391.581 3.620 20 30 GHEDLO O=[N+]([O-])c1ccc(O)c(C=Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)c1 ZINC000255369991 842405961 /nfs/dbraw/zinc/40/59/61/842405961.db2.gz ITPLYGJOPYGADB-UHFFFAOYSA-N 1 2 380.448 3.583 20 30 GHEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccc(C)cc2)C1 ZINC000067401434 843390096 /nfs/dbraw/zinc/39/00/96/843390096.db2.gz GPYNVFFOWBRFGZ-QGZVFWFLSA-N 1 2 392.503 3.688 20 30 GHEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCc2c(cccc2NC(=O)Nc2ccc(C)cc2)C1 ZINC000067401434 843390104 /nfs/dbraw/zinc/39/01/04/843390104.db2.gz GPYNVFFOWBRFGZ-QGZVFWFLSA-N 1 2 392.503 3.688 20 30 GHEDLO C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccc(F)c(Cl)c1 ZINC000433241358 843913484 /nfs/dbraw/zinc/91/34/84/843913484.db2.gz BFKBFCYVTWLVKS-UHFFFAOYSA-N 1 2 397.841 3.607 20 30 GHEDLO C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccc(F)c(Cl)c1 ZINC000433241358 843913492 /nfs/dbraw/zinc/91/34/92/843913492.db2.gz BFKBFCYVTWLVKS-UHFFFAOYSA-N 1 2 397.841 3.607 20 30 GHEDLO CCCc1[nH+]c(C)cc(OCc2nnc(-c3ccc(C#N)cc3)o2)c1C(=O)OC ZINC000419050192 843944393 /nfs/dbraw/zinc/94/43/93/843944393.db2.gz XZUVYAQACWCDEL-UHFFFAOYSA-N 1 2 392.415 3.630 20 30 GHEDLO COc1ccc([C@@H]2CC[N@H+](CC(=O)Nc3ccccc3SCC#N)C2)cc1F ZINC000599677029 861473881 /nfs/dbraw/zinc/47/38/81/861473881.db2.gz GHEVAJPDMCLHJL-MRXNPFEDSA-N 1 2 399.491 3.878 20 30 GHEDLO COc1ccc([C@@H]2CC[N@@H+](CC(=O)Nc3ccccc3SCC#N)C2)cc1F ZINC000599677029 861473894 /nfs/dbraw/zinc/47/38/94/861473894.db2.gz GHEVAJPDMCLHJL-MRXNPFEDSA-N 1 2 399.491 3.878 20 30 GHEDLO Cc1noc([C@H]2CCC[N@@H+](CC(=O)Nc3ccccc3S[C@H](C)CC#N)C2)n1 ZINC000247065457 845015721 /nfs/dbraw/zinc/01/57/21/845015721.db2.gz HFWRUBRZPDAYJG-ZBFHGGJFSA-N 1 2 399.520 3.590 20 30 GHEDLO Cc1noc([C@H]2CCC[N@H+](CC(=O)Nc3ccccc3S[C@H](C)CC#N)C2)n1 ZINC000247065457 845015726 /nfs/dbraw/zinc/01/57/26/845015726.db2.gz HFWRUBRZPDAYJG-ZBFHGGJFSA-N 1 2 399.520 3.590 20 30 GHEDLO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685824 861528054 /nfs/dbraw/zinc/52/80/54/861528054.db2.gz KTKMAIBCQHSPGU-AWEZNQCLSA-N 1 2 385.414 3.739 20 30 GHEDLO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685824 861528066 /nfs/dbraw/zinc/52/80/66/861528066.db2.gz KTKMAIBCQHSPGU-AWEZNQCLSA-N 1 2 385.414 3.739 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1[C@H](C)C[C@@H](C(=O)OC)C[C@@H]1C ZINC000599705898 861560784 /nfs/dbraw/zinc/56/07/84/861560784.db2.gz JHUOGSLRZLEBIA-MUJYYYPQSA-N 1 2 376.522 3.565 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1[C@H](C)C[C@@H](C(=O)OC)C[C@@H]1C ZINC000599705898 861560789 /nfs/dbraw/zinc/56/07/89/861560789.db2.gz JHUOGSLRZLEBIA-MUJYYYPQSA-N 1 2 376.522 3.565 20 30 GHEDLO NC(Cc1ccccc1)=[NH+]OCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000071939155 845900220 /nfs/dbraw/zinc/90/02/20/845900220.db2.gz FILQMZFGOFMWOJ-UHFFFAOYSA-N 1 2 375.428 3.949 20 30 GHEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3ccc(C#N)c(Cl)c3)CC2)c1 ZINC000548631745 845958895 /nfs/dbraw/zinc/95/88/95/845958895.db2.gz FPNAJUUGDKZOHU-OAHLLOKOSA-N 1 2 383.879 3.739 20 30 GHEDLO Cc1noc([C@@H](C)[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)n1 ZINC000563354747 847234203 /nfs/dbraw/zinc/23/42/03/847234203.db2.gz AOUNPJZASNYWPQ-GFCCVEGCSA-N 1 2 387.509 3.602 20 30 GHEDLO Cc1noc([C@@H](C)[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)n1 ZINC000563354747 847234211 /nfs/dbraw/zinc/23/42/11/847234211.db2.gz AOUNPJZASNYWPQ-GFCCVEGCSA-N 1 2 387.509 3.602 20 30 GHEDLO C[C@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[NH+]1CCC(C#N)CC1 ZINC000503553172 847793510 /nfs/dbraw/zinc/79/35/10/847793510.db2.gz YESJZISLPYFMHH-CQSZACIVSA-N 1 2 382.489 3.563 20 30 GHEDLO C=CCOc1ccc(-c2noc([C@H](CO)[N@H+](C)Cc3ccccc3)n2)c(F)c1 ZINC001211574129 849633972 /nfs/dbraw/zinc/63/39/72/849633972.db2.gz HNYSGUYFIQZXFE-IBGZPJMESA-N 1 2 383.423 3.606 20 30 GHEDLO C=CCOc1ccc(-c2noc([C@H](CO)[N@@H+](C)Cc3ccccc3)n2)c(F)c1 ZINC001211574129 849633978 /nfs/dbraw/zinc/63/39/78/849633978.db2.gz HNYSGUYFIQZXFE-IBGZPJMESA-N 1 2 383.423 3.606 20 30 GHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](Cc2ccc(OC)cc2)C1 ZINC000435026215 850008998 /nfs/dbraw/zinc/00/89/98/850008998.db2.gz LJMVIMCVZVQZGY-KNQAVFIVSA-N 1 2 378.472 3.736 20 30 GHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](Cc2ccc(OC)cc2)C1 ZINC000435026215 850009006 /nfs/dbraw/zinc/00/90/06/850009006.db2.gz LJMVIMCVZVQZGY-KNQAVFIVSA-N 1 2 378.472 3.736 20 30 GHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)CCc1ccc(Br)cc1 ZINC000435053641 850028438 /nfs/dbraw/zinc/02/84/38/850028438.db2.gz UDCFYHJIKICFKS-SFHVURJKSA-N 1 2 387.277 3.709 20 30 GHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)CCc1ccc(Br)cc1 ZINC000435053641 850028443 /nfs/dbraw/zinc/02/84/43/850028443.db2.gz UDCFYHJIKICFKS-SFHVURJKSA-N 1 2 387.277 3.709 20 30 GHEDLO Cc1cn2cc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3c3ncccn3)ccc2[nH+]1 ZINC000329698878 862102924 /nfs/dbraw/zinc/10/29/24/862102924.db2.gz CVFLUTKWKSHRBR-SZMVWBNQSA-N 1 2 376.464 3.858 20 30 GHEDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCC#Cc3cccc(F)c3)c2C1 ZINC000513913546 851015448 /nfs/dbraw/zinc/01/54/48/851015448.db2.gz RLCSXSBGCCQAQF-UHFFFAOYSA-N 1 2 387.458 3.533 20 30 GHEDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCC#Cc3cccc(F)c3)c2C1 ZINC000513913546 851015454 /nfs/dbraw/zinc/01/54/54/851015454.db2.gz RLCSXSBGCCQAQF-UHFFFAOYSA-N 1 2 387.458 3.533 20 30 GHEDLO Cc1cc(OCC[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)ccc1C(C)C ZINC000513974586 851066207 /nfs/dbraw/zinc/06/62/07/851066207.db2.gz PVWPFDQYJFVDJW-MHECFPHRSA-N 1 2 389.499 3.843 20 30 GHEDLO Cc1cc(OCC[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)ccc1C(C)C ZINC000513974586 851066214 /nfs/dbraw/zinc/06/62/14/851066214.db2.gz PVWPFDQYJFVDJW-MHECFPHRSA-N 1 2 389.499 3.843 20 30 GHEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1OCc1ccccc1 ZINC000604439015 862206351 /nfs/dbraw/zinc/20/63/51/862206351.db2.gz USXDYVZNTOCOOK-HSZRJFAPSA-N 1 2 377.488 3.506 20 30 GHEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1OCc1ccccc1 ZINC000604439015 862206362 /nfs/dbraw/zinc/20/63/62/862206362.db2.gz USXDYVZNTOCOOK-HSZRJFAPSA-N 1 2 377.488 3.506 20 30 GHEDLO Cc1cc(C[NH+]2CCN([C@@H](C)c3nc(-c4ccccc4)no3)CC2)ccc1C#N ZINC000488181434 851242846 /nfs/dbraw/zinc/24/28/46/851242846.db2.gz KYFBLVJMEJJWKV-SFHVURJKSA-N 1 2 387.487 3.796 20 30 GHEDLO C=CCOc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)cc1 ZINC000505478565 851512529 /nfs/dbraw/zinc/51/25/29/851512529.db2.gz ARQCLWKYKDXWJD-SFHVURJKSA-N 1 2 380.488 3.779 20 30 GHEDLO CCC[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccccc1F ZINC000604493270 862252684 /nfs/dbraw/zinc/25/26/84/862252684.db2.gz BDCAVNZSVRHPEA-UHFFFAOYSA-N 1 2 391.450 3.734 20 30 GHEDLO CCC[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccccc1F ZINC000604493270 862252700 /nfs/dbraw/zinc/25/27/00/862252700.db2.gz BDCAVNZSVRHPEA-UHFFFAOYSA-N 1 2 391.450 3.734 20 30 GHEDLO N#Cc1cccc(OC2CC[NH+](CN3C[C@H](c4cccc(F)c4)CC3=O)CC2)c1 ZINC000729466824 851972382 /nfs/dbraw/zinc/97/23/82/851972382.db2.gz ALRXWZLRZSSIFF-LJQANCHMSA-N 1 2 393.462 3.514 20 30 GHEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000664563838 851987484 /nfs/dbraw/zinc/98/74/84/851987484.db2.gz ZYSGRHRQEWSZMH-WCIQWLHISA-N 1 2 389.927 3.604 20 30 GHEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000664563838 851987493 /nfs/dbraw/zinc/98/74/93/851987493.db2.gz ZYSGRHRQEWSZMH-WCIQWLHISA-N 1 2 389.927 3.604 20 30 GHEDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000489438180 852340192 /nfs/dbraw/zinc/34/01/92/852340192.db2.gz OWMCULVGHUXIES-CQSZACIVSA-N 1 2 393.403 3.598 20 30 GHEDLO COc1ccc(C#N)cc1NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000426103033 852697907 /nfs/dbraw/zinc/69/79/07/852697907.db2.gz UGBMXVRWZIDRCL-PZJWPPBQSA-N 1 2 387.443 3.814 20 30 GHEDLO C[C@H](NC(=O)[C@H](C)[NH+]1CCN(c2ccccc2C#N)CC1)c1ccc(Cl)cc1 ZINC000507295598 852757611 /nfs/dbraw/zinc/75/76/11/852757611.db2.gz IMJPKKNROPTCAI-IRXDYDNUSA-N 1 2 396.922 3.600 20 30 GHEDLO C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000180931825 862412826 /nfs/dbraw/zinc/41/28/26/862412826.db2.gz KODVDCMUCRSSRW-INIZCTEOSA-N 1 2 380.492 3.686 20 30 GHEDLO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1nnc(-c3ccc(Br)cc3)[nH]1)CC2 ZINC000516896184 853138001 /nfs/dbraw/zinc/13/80/01/853138001.db2.gz CYAVKIYBKSWVOY-QGZVFWFLSA-N 1 2 394.276 3.883 20 30 GHEDLO C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@H]1CCN(c2ccccc2F)C1=O ZINC000517061568 853316334 /nfs/dbraw/zinc/31/63/34/853316334.db2.gz CFSWOSKLEZEABO-SFHVURJKSA-N 1 2 391.368 3.953 20 30 GHEDLO C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@H]1CCN(c2ccccc2F)C1=O ZINC000517061568 853316345 /nfs/dbraw/zinc/31/63/45/853316345.db2.gz CFSWOSKLEZEABO-SFHVURJKSA-N 1 2 391.368 3.953 20 30 GHEDLO CC[C@@H]1C[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)CCCO1 ZINC000439465471 853676550 /nfs/dbraw/zinc/67/65/50/853676550.db2.gz FJIVRTTXGOZHBV-LJQANCHMSA-N 1 2 398.482 3.544 20 30 GHEDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)CCCO1 ZINC000439465471 853676552 /nfs/dbraw/zinc/67/65/52/853676552.db2.gz FJIVRTTXGOZHBV-LJQANCHMSA-N 1 2 398.482 3.544 20 30 GHEDLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)c3csc4c3CCCC4)c2)CC1 ZINC000330000430 862495057 /nfs/dbraw/zinc/49/50/57/862495057.db2.gz WKGOHPFFFACGNE-UHFFFAOYSA-N 1 2 397.544 3.927 20 30 GHEDLO O=C(N[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)c1cc2ccccc2o1 ZINC000440934135 853765306 /nfs/dbraw/zinc/76/53/06/853765306.db2.gz IPWXKLZJABDHNP-FQEVSTJZSA-N 1 2 376.431 3.818 20 30 GHEDLO O=C(N[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)c1cc2ccccc2o1 ZINC000440934135 853765308 /nfs/dbraw/zinc/76/53/08/853765308.db2.gz IPWXKLZJABDHNP-FQEVSTJZSA-N 1 2 376.431 3.818 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(NC(=O)c3ccc(C)s3)CC2)c1C ZINC000051098680 854417783 /nfs/dbraw/zinc/41/77/83/854417783.db2.gz SJNBTIZWHVHIDN-UHFFFAOYSA-N 1 2 399.560 3.738 20 30 GHEDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)Nc2cccc3ccsc32)CC1 ZINC000328839218 854570091 /nfs/dbraw/zinc/57/00/91/854570091.db2.gz UFDMMZSIYDGAJN-UHFFFAOYSA-N 1 2 383.521 3.615 20 30 GHEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Cn1c2ccccc2nc1C1CCCCC1 ZINC000328894170 854599781 /nfs/dbraw/zinc/59/97/81/854599781.db2.gz UTHOEBVUWSVHBB-QGZVFWFLSA-N 1 2 384.524 3.761 20 30 GHEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)Cn1c2ccccc2nc1C1CCCCC1 ZINC000328894170 854599784 /nfs/dbraw/zinc/59/97/84/854599784.db2.gz UTHOEBVUWSVHBB-QGZVFWFLSA-N 1 2 384.524 3.761 20 30 GHEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)ccc1Cl ZINC000589272631 854778853 /nfs/dbraw/zinc/77/88/53/854778853.db2.gz FHVTZPJEPVGLAM-QUCCMNQESA-N 1 2 389.927 3.785 20 30 GHEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)ccc1Cl ZINC000589272631 854778855 /nfs/dbraw/zinc/77/88/55/854778855.db2.gz FHVTZPJEPVGLAM-QUCCMNQESA-N 1 2 389.927 3.785 20 30 GHEDLO Cc1ccccc1Cc1nnc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)o1 ZINC000122929901 855039732 /nfs/dbraw/zinc/03/97/32/855039732.db2.gz IFYWFAHMWMNABK-UHFFFAOYSA-N 1 2 387.487 3.553 20 30 GHEDLO Cc1ccccc1Cc1nnc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)o1 ZINC000122929901 855039742 /nfs/dbraw/zinc/03/97/42/855039742.db2.gz IFYWFAHMWMNABK-UHFFFAOYSA-N 1 2 387.487 3.553 20 30 GHEDLO C[C@@H](NC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)c1ccc(C#N)cc1 ZINC000609546546 855196827 /nfs/dbraw/zinc/19/68/27/855196827.db2.gz ZJJYTAKNTPUJRF-CRAIPNDOSA-N 1 2 398.457 3.861 20 30 GHEDLO C[C@@H](NC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)c1ccc(C#N)cc1 ZINC000609546546 855196839 /nfs/dbraw/zinc/19/68/39/855196839.db2.gz ZJJYTAKNTPUJRF-CRAIPNDOSA-N 1 2 398.457 3.861 20 30 GHEDLO C[N@@H+]1CCO[C@@H]([C@@H](Nc2ccc(C#N)cc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000301899221 855777960 /nfs/dbraw/zinc/77/79/60/855777960.db2.gz SYWBISIJJSBPED-MOPGFXCFSA-N 1 2 386.839 3.604 20 30 GHEDLO C[N@H+]1CCO[C@@H]([C@@H](Nc2ccc(C#N)cc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000301899221 855777963 /nfs/dbraw/zinc/77/79/63/855777963.db2.gz SYWBISIJJSBPED-MOPGFXCFSA-N 1 2 386.839 3.604 20 30 GHEDLO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000554215568 855848730 /nfs/dbraw/zinc/84/87/30/855848730.db2.gz QOEGBABPEFDULQ-GDBMZVCRSA-N 1 2 392.341 3.838 20 30 GHEDLO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000554215568 855848738 /nfs/dbraw/zinc/84/87/38/855848738.db2.gz QOEGBABPEFDULQ-GDBMZVCRSA-N 1 2 392.341 3.838 20 30 GHEDLO Cc1ccc2c(c1)N(CC(=O)Nc1nc(C[NH+]3CCCC3)cs1)C[C@H](C)O2 ZINC000330298491 862761029 /nfs/dbraw/zinc/76/10/29/862761029.db2.gz HJRBHBIPACCZTJ-HNNXBMFYSA-N 1 2 386.521 3.923 20 30 GHEDLO C[C@H](C(=O)NCc1ccc(F)cc1)[NH+]1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000674460013 856306344 /nfs/dbraw/zinc/30/63/44/856306344.db2.gz ALFGOCWNUXCVAQ-OASPWFOLSA-N 1 2 386.311 3.503 20 30 GHEDLO N#Cc1ccc(CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1Cl ZINC000619769322 856414451 /nfs/dbraw/zinc/41/44/51/856414451.db2.gz ZWVNQRFHHWNZIQ-UHFFFAOYSA-N 1 2 397.910 3.834 20 30 GHEDLO CC(C)(C)OC(=O)N1CCN(c2ccc(N[C@H]3CCC[C@H](C#N)C3)[nH+]c2)CC1 ZINC000765938268 856568230 /nfs/dbraw/zinc/56/82/30/856568230.db2.gz ZMEXVTRPNLVMEY-IRXDYDNUSA-N 1 2 385.512 3.633 20 30 GHEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)[C@@H](C#N)c1nc(C(C)C)cs1)CC2 ZINC000129038204 856760122 /nfs/dbraw/zinc/76/01/22/856760122.db2.gz QQAVOUOPWZNNOC-MRXNPFEDSA-N 1 2 399.516 3.518 20 30 GHEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)[C@@H](C#N)c1nc(C(C)C)cs1)CC2 ZINC000129038204 856760126 /nfs/dbraw/zinc/76/01/26/856760126.db2.gz QQAVOUOPWZNNOC-MRXNPFEDSA-N 1 2 399.516 3.518 20 30 GHEDLO CSc1cc(F)ccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000592280394 857047262 /nfs/dbraw/zinc/04/72/62/857047262.db2.gz QSRJUDLCAJVCIV-UHFFFAOYSA-N 1 2 384.480 3.769 20 30 GHEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429246192 857186601 /nfs/dbraw/zinc/18/66/01/857186601.db2.gz FTOWHNPTLGUCLF-RTBURBONSA-N 1 2 394.494 3.672 20 30 GHEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429246192 857186606 /nfs/dbraw/zinc/18/66/06/857186606.db2.gz FTOWHNPTLGUCLF-RTBURBONSA-N 1 2 394.494 3.672 20 30 GHEDLO Cc1c2cc(C#N)ccc2sc1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000428179770 857186937 /nfs/dbraw/zinc/18/69/37/857186937.db2.gz XQAZZQREVFIAHX-UHFFFAOYSA-N 1 2 376.485 3.875 20 30 GHEDLO N#Cc1ccccc1N1CCC[N@@H+](CC(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000113176587 857344569 /nfs/dbraw/zinc/34/45/69/857344569.db2.gz MURWRSLFPCWMLR-UHFFFAOYSA-N 1 2 386.858 3.502 20 30 GHEDLO N#Cc1ccccc1N1CCC[N@H+](CC(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000113176587 857344581 /nfs/dbraw/zinc/34/45/81/857344581.db2.gz MURWRSLFPCWMLR-UHFFFAOYSA-N 1 2 386.858 3.502 20 30 GHEDLO N#Cc1sc(NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)nc1Cl ZINC000888418082 857527744 /nfs/dbraw/zinc/52/77/44/857527744.db2.gz XRFXSCDWQKCEHO-UHFFFAOYSA-N 1 2 378.889 3.589 20 30 GHEDLO CCCc1[nH+]c(C)cc(OCc2nnc(-c3cccc(C#N)c3)o2)c1C(=O)OC ZINC000419021913 857641127 /nfs/dbraw/zinc/64/11/27/857641127.db2.gz BDBHHPVQFVOYRB-UHFFFAOYSA-N 1 2 392.415 3.630 20 30 GHEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H](C)Cc1ccc(C#N)cc1 ZINC000593980229 857814992 /nfs/dbraw/zinc/81/49/92/857814992.db2.gz MRQVRVGNRHBFLR-GOSISDBHSA-N 1 2 377.488 3.516 20 30 GHEDLO Cc1ccc(C[NH+]2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)cn1 ZINC000593968411 857834537 /nfs/dbraw/zinc/83/45/37/857834537.db2.gz FFKUMUDXLALZCP-IBGZPJMESA-N 1 2 385.309 3.535 20 30 GHEDLO N#CC[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)C1 ZINC000594661008 858258490 /nfs/dbraw/zinc/25/84/90/858258490.db2.gz UZTKJBJBRWVIJR-IAQYHMDHSA-N 1 2 399.800 3.616 20 30 GHEDLO N#CC[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)C1 ZINC000594661008 858258496 /nfs/dbraw/zinc/25/84/96/858258496.db2.gz UZTKJBJBRWVIJR-IAQYHMDHSA-N 1 2 399.800 3.616 20 30 GHEDLO COc1cc(OC)c2ncc(C#N)c(Nc3ccc(N4CCCC4)[nH+]c3)c2c1 ZINC000439097616 858305675 /nfs/dbraw/zinc/30/56/75/858305675.db2.gz JFWKOTWDBREDFD-UHFFFAOYSA-N 1 2 375.432 3.862 20 30 GHEDLO COc1cc(C[NH2+][C@@H](C)c2nnn(-c3ccc(Cl)cc3)c2C)ccc1C#N ZINC000521944544 858475655 /nfs/dbraw/zinc/47/56/55/858475655.db2.gz DEYLUHUXXJXCGY-ZDUSSCGKSA-N 1 2 381.867 3.960 20 30 GHEDLO N#Cc1sccc1N1CC[NH+](Cc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000595631247 858623412 /nfs/dbraw/zinc/62/34/12/858623412.db2.gz COKRDOFYJFIVOJ-UHFFFAOYSA-N 1 2 394.544 3.568 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593117419 858660842 /nfs/dbraw/zinc/66/08/42/858660842.db2.gz NBKALOPNELVQAW-KZULUSFZSA-N 1 2 379.476 3.947 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593117419 858660848 /nfs/dbraw/zinc/66/08/48/858660848.db2.gz NBKALOPNELVQAW-KZULUSFZSA-N 1 2 379.476 3.947 20 30 GHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c1C#N ZINC000593118736 858663204 /nfs/dbraw/zinc/66/32/04/858663204.db2.gz ROGFCCZMXVIIIP-OAQYLSRUSA-N 1 2 398.457 3.695 20 30 GHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CC[C@@]3(CC3(F)F)C2)c1C#N ZINC000593118736 858663207 /nfs/dbraw/zinc/66/32/07/858663207.db2.gz ROGFCCZMXVIIIP-OAQYLSRUSA-N 1 2 398.457 3.695 20 30 GHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OC ZINC000595845401 858692519 /nfs/dbraw/zinc/69/25/19/858692519.db2.gz NNDUJKCTAFGJAO-BETUJISGSA-N 1 2 383.275 3.902 20 30 GHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OC ZINC000595845401 858692520 /nfs/dbraw/zinc/69/25/20/858692520.db2.gz NNDUJKCTAFGJAO-BETUJISGSA-N 1 2 383.275 3.902 20 30 GHEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H]2c2ccc(Br)cc2)cc1 ZINC000595845557 858692993 /nfs/dbraw/zinc/69/29/93/858692993.db2.gz OZGQDALPTVNAKO-MJGOQNOKSA-N 1 2 387.277 3.507 20 30 GHEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@H]2c2ccc(Br)cc2)cc1 ZINC000595845557 858693001 /nfs/dbraw/zinc/69/30/01/858693001.db2.gz OZGQDALPTVNAKO-MJGOQNOKSA-N 1 2 387.277 3.507 20 30 GHEDLO N#Cc1cccc(CN2CCC([NH2+]Cc3csc(C(F)(F)F)n3)CC2)c1 ZINC000895186720 858702336 /nfs/dbraw/zinc/70/23/36/858702336.db2.gz AMKAZOWSJIWHPA-UHFFFAOYSA-N 1 2 380.439 3.788 20 30 GHEDLO C[C@H](c1nnc(Sc2cc(C#N)cnn2)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000596066077 858770473 /nfs/dbraw/zinc/77/04/73/858770473.db2.gz OPKQOMQEFQXAMA-OAHLLOKOSA-N 1 2 391.504 3.627 20 30 GHEDLO CC(C)([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cc(C(F)(F)F)on1 ZINC000429270675 858878581 /nfs/dbraw/zinc/87/85/81/858878581.db2.gz JCPORHZHIBYROR-AWEZNQCLSA-N 1 2 392.381 3.585 20 30 GHEDLO COc1ccccc1C[NH+]1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000160736304 859145217 /nfs/dbraw/zinc/14/52/17/859145217.db2.gz ZRAUDNNJDFWUOZ-NRFANRHFSA-N 1 2 392.503 3.567 20 30 GHEDLO COCc1csc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c1 ZINC000597114827 859291407 /nfs/dbraw/zinc/29/14/07/859291407.db2.gz AYKCBFLPCDTEJF-IBGZPJMESA-N 1 2 375.925 3.930 20 30 GHEDLO C#CCN(C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)C1CCCCC1 ZINC000764511881 859476896 /nfs/dbraw/zinc/47/68/96/859476896.db2.gz KFEFRAXHRCDWQS-PMACEKPBSA-N 1 2 375.463 3.688 20 30 GHEDLO C#CCN(C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)C1CCCCC1 ZINC000764511881 859476901 /nfs/dbraw/zinc/47/69/01/859476901.db2.gz KFEFRAXHRCDWQS-PMACEKPBSA-N 1 2 375.463 3.688 20 30 GHEDLO COC(=O)[C@@H](Cc1cccc(F)c1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170364698 881432041 /nfs/dbraw/zinc/43/20/41/881432041.db2.gz FOVVISWTJHCAMQ-WQMHRJNTSA-N 1 2 380.463 3.904 20 30 GHEDLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)CC2(C#N)CCCCC2)c2ccc(Cl)cc2)C1 ZINC000597456823 859546427 /nfs/dbraw/zinc/54/64/27/859546427.db2.gz IKZVAKSCKQITNL-UYAOXDASSA-N 1 2 389.927 3.692 20 30 GHEDLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)CC2(C#N)CCCCC2)c2ccc(Cl)cc2)C1 ZINC000597456823 859546434 /nfs/dbraw/zinc/54/64/34/859546434.db2.gz IKZVAKSCKQITNL-UYAOXDASSA-N 1 2 389.927 3.692 20 30 GHEDLO N#Cc1cc(Cl)c(C(=O)NC2CCN(c3cccc[nH+]3)CC2)c(Cl)c1 ZINC000611093484 859607709 /nfs/dbraw/zinc/60/77/09/859607709.db2.gz ZEPYYIUYIGZORT-UHFFFAOYSA-N 1 2 375.259 3.659 20 30 GHEDLO N#Cc1cccc(COc2cccc(C[N@@H+]3CCc4ccccc4[C@@H]3C(N)=O)c2)c1 ZINC000611266493 859673815 /nfs/dbraw/zinc/67/38/15/859673815.db2.gz GXXGJCAYGWASKQ-XMMPIXPASA-N 1 2 397.478 3.722 20 30 GHEDLO N#Cc1cccc(COc2cccc(C[N@H+]3CCc4ccccc4[C@@H]3C(N)=O)c2)c1 ZINC000611266493 859673817 /nfs/dbraw/zinc/67/38/17/859673817.db2.gz GXXGJCAYGWASKQ-XMMPIXPASA-N 1 2 397.478 3.722 20 30 GHEDLO N#CC[C@H](CC(=O)N(CCn1cc[nH+]c1)C1CCSCC1)c1ccccc1 ZINC000597641299 859703516 /nfs/dbraw/zinc/70/35/16/859703516.db2.gz QPARVSPPNLHDJH-LJQANCHMSA-N 1 2 382.533 3.695 20 30 GHEDLO C=CCOc1ccc(-c2nn(C[N@H+](CC)C[C@@H]3CCOC3)c(=S)o2)cc1 ZINC000765007995 859734666 /nfs/dbraw/zinc/73/46/66/859734666.db2.gz HTXIARMCESXARP-HNNXBMFYSA-N 1 2 375.494 3.753 20 30 GHEDLO C=CCOc1ccc(-c2nn(C[N@@H+](CC)C[C@@H]3CCOC3)c(=S)o2)cc1 ZINC000765007995 859734670 /nfs/dbraw/zinc/73/46/70/859734670.db2.gz HTXIARMCESXARP-HNNXBMFYSA-N 1 2 375.494 3.753 20 30 GHEDLO CC(C)C[C@H](C(=O)N[C@@H](C#N)c1cccc(Br)c1)n1cc[nH+]c1 ZINC000602088294 859763728 /nfs/dbraw/zinc/76/37/28/859763728.db2.gz KPQFVKOBWNAYHV-JKSUJKDBSA-N 1 2 375.270 3.614 20 30 GHEDLO CC(=[NH+]Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(N)cc1 ZINC000727058132 859911520 /nfs/dbraw/zinc/91/15/20/859911520.db2.gz ILFXDGNQJNCVPD-UHFFFAOYSA-N 1 2 380.473 3.906 20 30 GHEDLO CC(C)Oc1ccc(NC(=S)NN=C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000727257802 860016899 /nfs/dbraw/zinc/01/68/99/860016899.db2.gz FHOFPRYNZVBQGO-UHFFFAOYSA-N 1 2 383.521 3.812 20 30 GHEDLO N#Cc1cccc(C[NH+]2CCC(N=c3nc(-c4ccccc4)[nH]s3)CC2)c1 ZINC000593516448 860118320 /nfs/dbraw/zinc/11/83/20/860118320.db2.gz ZKDHCBYZPCXALG-UHFFFAOYSA-N 1 2 375.501 3.575 20 30 GHEDLO C=CCn1c([C@@H]2COc3ccccc3O2)nn(C[N@H+]2CCC[C@@H]2CC)c1=S ZINC000727824477 860292742 /nfs/dbraw/zinc/29/27/42/860292742.db2.gz QBTZPSWEOAZDEH-YJBOKZPZSA-N 1 2 386.521 3.944 20 30 GHEDLO C=CCn1c([C@@H]2COc3ccccc3O2)nn(C[N@@H+]2CCC[C@@H]2CC)c1=S ZINC000727824477 860292752 /nfs/dbraw/zinc/29/27/52/860292752.db2.gz QBTZPSWEOAZDEH-YJBOKZPZSA-N 1 2 386.521 3.944 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602864849 860319810 /nfs/dbraw/zinc/31/98/10/860319810.db2.gz QUZNJLDUDZGBRY-SLFFLAALSA-N 1 2 390.531 3.523 20 30 GHEDLO C[C@@H]([NH2+][C@H](CO)c1cccc(Cl)c1F)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000499963225 860324848 /nfs/dbraw/zinc/32/48/48/860324848.db2.gz IYLPFWQZCLSWBE-QLJPJBMISA-N 1 2 396.249 3.654 20 30 GHEDLO N#Cc1ccc(-c2nnc(C[NH+]3CCC(Oc4ccccc4F)CC3)o2)cc1 ZINC000602944744 860377773 /nfs/dbraw/zinc/37/77/73/860377773.db2.gz SPCJZWHYAQPXJQ-UHFFFAOYSA-N 1 2 378.407 3.791 20 30 GHEDLO COC(=O)[C@H](Cc1ccc(C#N)cc1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170376987 881552601 /nfs/dbraw/zinc/55/26/01/881552601.db2.gz UACKFBJNINPERZ-MHIUNMELSA-N 1 2 387.483 3.636 20 30 GHEDLO Cc1nn(C)c(N2CC[NH+](CCCc3c(Cl)cccc3Cl)CC2)c1C#N ZINC000482461753 863168065 /nfs/dbraw/zinc/16/80/65/863168065.db2.gz TWWHQKWQEMIGJE-UHFFFAOYSA-N 1 2 392.334 3.662 20 30 GHEDLO CC[C@@H]1c2ccccc2CC[N@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000734003040 863914925 /nfs/dbraw/zinc/91/49/25/863914925.db2.gz WFLWAYKTEVFTIV-UYAOXDASSA-N 1 2 386.455 3.521 20 30 GHEDLO CC[C@@H]1c2ccccc2CC[N@@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000734003040 863914936 /nfs/dbraw/zinc/91/49/36/863914936.db2.gz WFLWAYKTEVFTIV-UYAOXDASSA-N 1 2 386.455 3.521 20 30 GHEDLO C=CC[N@@H+](CC(=O)N(C)[C@H](C)c1ccccc1OC)Cc1cccc(C#N)c1 ZINC000063299815 864482496 /nfs/dbraw/zinc/48/24/96/864482496.db2.gz PGJHMHAVCQHWJB-GOSISDBHSA-N 1 2 377.488 3.774 20 30 GHEDLO C=CC[N@H+](CC(=O)N(C)[C@H](C)c1ccccc1OC)Cc1cccc(C#N)c1 ZINC000063299815 864482505 /nfs/dbraw/zinc/48/25/05/864482505.db2.gz PGJHMHAVCQHWJB-GOSISDBHSA-N 1 2 377.488 3.774 20 30 GHEDLO N#Cc1ccc(SCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000532309182 881780644 /nfs/dbraw/zinc/78/06/44/881780644.db2.gz ZGJYESFJFJJOMD-UHFFFAOYSA-N 1 2 385.920 3.648 20 30 GHEDLO C=CCn1c2nn(C[N@@H+]3CCC4(CCCC4)C3)c(=S)n2c2ccccc2c1=O ZINC000173443240 864770445 /nfs/dbraw/zinc/77/04/45/864770445.db2.gz SJXQXKMOEAFUKE-UHFFFAOYSA-N 1 2 395.532 3.590 20 30 GHEDLO C=CCn1c2nn(C[N@H+]3CCC4(CCCC4)C3)c(=S)n2c2ccccc2c1=O ZINC000173443240 864770452 /nfs/dbraw/zinc/77/04/52/864770452.db2.gz SJXQXKMOEAFUKE-UHFFFAOYSA-N 1 2 395.532 3.590 20 30 GHEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](Cc2cccc3c2OCCCO3)CC1 ZINC000475332733 864795450 /nfs/dbraw/zinc/79/54/50/864795450.db2.gz KIHJGYKWCAKTMK-HXUWFJFHSA-N 1 2 397.906 3.884 20 30 GHEDLO CC(=O)Nc1ccccc1C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000475358365 864851176 /nfs/dbraw/zinc/85/11/76/864851176.db2.gz MXEMZBMZXVIYPL-NRFANRHFSA-N 1 2 382.895 3.681 20 30 GHEDLO CC(=NNC(=S)Nc1ccc(C)cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735610661 864880168 /nfs/dbraw/zinc/88/01/68/864880168.db2.gz RQXYEAIRPKOLEW-FQEVSTJZSA-N 1 2 382.533 3.558 20 30 GHEDLO CC(=NNC(=S)Nc1ccc(C)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735610661 864880173 /nfs/dbraw/zinc/88/01/73/864880173.db2.gz RQXYEAIRPKOLEW-FQEVSTJZSA-N 1 2 382.533 3.558 20 30 GHEDLO CCN(C(=O)C[N@H+](CCOC)Cc1ccc(C#N)cc1)[C@H](C)c1ccc(F)cc1 ZINC000063753686 865307071 /nfs/dbraw/zinc/30/70/71/865307071.db2.gz AGMDPXIHDNNSST-GOSISDBHSA-N 1 2 397.494 3.755 20 30 GHEDLO CCN(C(=O)C[N@@H+](CCOC)Cc1ccc(C#N)cc1)[C@H](C)c1ccc(F)cc1 ZINC000063753686 865307090 /nfs/dbraw/zinc/30/70/90/865307090.db2.gz AGMDPXIHDNNSST-GOSISDBHSA-N 1 2 397.494 3.755 20 30 GHEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000186608468 866342467 /nfs/dbraw/zinc/34/24/67/866342467.db2.gz ZZHXLYUIZZFULM-QGZVFWFLSA-N 1 2 377.463 3.634 20 30 GHEDLO N#Cc1cnc2c(F)c(F)c(F)cc2c1NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000552976280 866578588 /nfs/dbraw/zinc/57/85/88/866578588.db2.gz UGOGXVCCMMFXCI-UHFFFAOYSA-N 1 2 393.372 3.803 20 30 GHEDLO Cc1cc(NC[C@@H](c2ccc(C(F)(F)F)cc2)[NH+]2CCOCC2)cc(C#N)n1 ZINC000552997075 866601675 /nfs/dbraw/zinc/60/16/75/866601675.db2.gz VLNCAJAFZDXPRW-IBGZPJMESA-N 1 2 390.409 3.766 20 30 GHEDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444675815 867049235 /nfs/dbraw/zinc/04/92/35/867049235.db2.gz SCOGILMYTDMZQT-VXKWHMMOSA-N 1 2 392.499 3.539 20 30 GHEDLO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444675815 867049247 /nfs/dbraw/zinc/04/92/47/867049247.db2.gz SCOGILMYTDMZQT-VXKWHMMOSA-N 1 2 392.499 3.539 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444688635 867067829 /nfs/dbraw/zinc/06/78/29/867067829.db2.gz COKJRQHMRIRIKI-OAHLLOKOSA-N 1 2 387.430 3.741 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444688635 867067841 /nfs/dbraw/zinc/06/78/41/867067841.db2.gz COKJRQHMRIRIKI-OAHLLOKOSA-N 1 2 387.430 3.741 20 30 GHEDLO C=CCn1c2nn(C[N@@H+]3C[C@H](C)CCC[C@H]3C)c(=S)n2c2ccccc2c1=O ZINC000742154163 867107540 /nfs/dbraw/zinc/10/75/40/867107540.db2.gz DSNHFZDUIMNMKP-HZPDHXFCSA-N 1 2 397.548 3.834 20 30 GHEDLO C=CCn1c2nn(C[N@H+]3C[C@H](C)CCC[C@H]3C)c(=S)n2c2ccccc2c1=O ZINC000742154163 867107547 /nfs/dbraw/zinc/10/75/47/867107547.db2.gz DSNHFZDUIMNMKP-HZPDHXFCSA-N 1 2 397.548 3.834 20 30 GHEDLO C#CCOc1ccc(NC(=O)N(CC)CC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000743151900 867879008 /nfs/dbraw/zinc/87/90/08/867879008.db2.gz HLJPEHVULIDOGL-UHFFFAOYSA-N 1 2 392.503 3.864 20 30 GHEDLO N#CCCn1cc(C[NH+]2CCN(Cc3ccccc3)CC2)c(-c2ccccc2)n1 ZINC000154489195 867946300 /nfs/dbraw/zinc/94/63/00/867946300.db2.gz HAVCHTWPFDIIJH-UHFFFAOYSA-N 1 2 385.515 3.782 20 30 GHEDLO C=CCOc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1Cl ZINC000535072376 868106233 /nfs/dbraw/zinc/10/62/33/868106233.db2.gz VQOQAHFXKSBFPV-UHFFFAOYSA-N 1 2 388.855 3.530 20 30 GHEDLO C[C@@H](NC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)c1cccc(C#N)c1 ZINC000743708449 868374936 /nfs/dbraw/zinc/37/49/36/868374936.db2.gz FDLFHJNUDQUYRM-QGZVFWFLSA-N 1 2 391.519 3.653 20 30 GHEDLO N#CCCN(C(=O)C[N@@H+]1CCC[C@H]1CC(=O)c1cccs1)c1ccccc1 ZINC000121826949 882298118 /nfs/dbraw/zinc/29/81/18/882298118.db2.gz CIVIOZHMDKNBKF-SFHVURJKSA-N 1 2 381.501 3.732 20 30 GHEDLO N#CCCN(C(=O)C[N@H+]1CCC[C@H]1CC(=O)c1cccs1)c1ccccc1 ZINC000121826949 882298135 /nfs/dbraw/zinc/29/81/35/882298135.db2.gz CIVIOZHMDKNBKF-SFHVURJKSA-N 1 2 381.501 3.732 20 30 GHEDLO CCn1c2ccccc2n(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1=S ZINC000793594499 882300165 /nfs/dbraw/zinc/30/01/65/882300165.db2.gz ZTLORJOUZGSQKT-INIZCTEOSA-N 1 2 379.489 3.570 20 30 GHEDLO CCn1c2ccccc2n(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1=S ZINC000793594499 882300184 /nfs/dbraw/zinc/30/01/84/882300184.db2.gz ZTLORJOUZGSQKT-INIZCTEOSA-N 1 2 379.489 3.570 20 30 GHEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(NCc2cn3cccc(C)c3n2)[nH+]1 ZINC001169016647 871101179 /nfs/dbraw/zinc/10/11/79/871101179.db2.gz WGCBOIOYXAQCDK-AKNJXBEQSA-N 1 2 383.521 3.839 20 30 GHEDLO C=CC[N@H+](C[C@@H]1CCCC[C@H]1C(=O)OC)[C@H](Cc1ccccc1)C(=O)OCC ZINC001169293832 871366096 /nfs/dbraw/zinc/36/60/96/871366096.db2.gz ZKNVETUSEBYHIH-PWRODBHTSA-N 1 2 387.520 3.628 20 30 GHEDLO C=CC[N@@H+](C[C@@H]1CCCC[C@H]1C(=O)OC)[C@H](Cc1ccccc1)C(=O)OCC ZINC001169293832 871366115 /nfs/dbraw/zinc/36/61/15/871366115.db2.gz ZKNVETUSEBYHIH-PWRODBHTSA-N 1 2 387.520 3.628 20 30 GHEDLO C[C@H](C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000462011728 871463605 /nfs/dbraw/zinc/46/36/05/871463605.db2.gz HSUYAZZSDHDFKA-KRWDZBQOSA-N 1 2 398.470 3.937 20 30 GHEDLO C#CC[N@@H+](CC(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1)Cc1ccccc1 ZINC001194163455 871520483 /nfs/dbraw/zinc/52/04/83/871520483.db2.gz HQZGVOPRIFOKKK-INIZCTEOSA-N 1 2 390.405 3.898 20 30 GHEDLO C#CC[N@H+](CC(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1)Cc1ccccc1 ZINC001194163455 871520484 /nfs/dbraw/zinc/52/04/84/871520484.db2.gz HQZGVOPRIFOKKK-INIZCTEOSA-N 1 2 390.405 3.898 20 30 GHEDLO N#Cc1c(C#N)c(N2CC[C@H](CNc3cccc[nH+]3)C2)nc2c1CCCCCC2 ZINC000619479317 872674502 /nfs/dbraw/zinc/67/45/02/872674502.db2.gz RUPIPGLKGWHWRN-QGZVFWFLSA-N 1 2 386.503 3.817 20 30 GHEDLO CC(C)(C)[N@H+](CC(=O)NC1(C#N)CCC1)Cc1ccccc1Br ZINC000527135618 872751030 /nfs/dbraw/zinc/75/10/30/872751030.db2.gz YCHSVZQLICOLFM-UHFFFAOYSA-N 1 2 378.314 3.612 20 30 GHEDLO CC(C)(C)[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1ccccc1Br ZINC000527135618 872751041 /nfs/dbraw/zinc/75/10/41/872751041.db2.gz YCHSVZQLICOLFM-UHFFFAOYSA-N 1 2 378.314 3.612 20 30 GHEDLO C[C@@H](NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1cccc(C#N)c1 ZINC000619695953 872885067 /nfs/dbraw/zinc/88/50/67/872885067.db2.gz ZBJUXPOHRHSHIL-VQIMIIECSA-N 1 2 377.492 3.741 20 30 GHEDLO Cc1cc(F)cc([C@@]2(F)CC[N@H+](C[C@H](O)COc3ccc(CC#N)cc3)C2)c1 ZINC000619723807 872923828 /nfs/dbraw/zinc/92/38/28/872923828.db2.gz ZGROYAMILHXZTF-RBBKRZOGSA-N 1 2 386.442 3.511 20 30 GHEDLO Cc1cc(F)cc([C@@]2(F)CC[N@@H+](C[C@H](O)COc3ccc(CC#N)cc3)C2)c1 ZINC000619723807 872923838 /nfs/dbraw/zinc/92/38/38/872923838.db2.gz ZGROYAMILHXZTF-RBBKRZOGSA-N 1 2 386.442 3.511 20 30 GHEDLO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000619734656 872932941 /nfs/dbraw/zinc/93/29/41/872932941.db2.gz IFGBTFSNAHCZND-GHTZIAJQSA-N 1 2 389.503 3.668 20 30 GHEDLO C#CC[N@@H+](Cc1cn(C)nc1CC)[C@@H]1CCOc2ccc(Br)cc21 ZINC000775696240 872951402 /nfs/dbraw/zinc/95/14/02/872951402.db2.gz ZHOQSUOUBCQWTG-GOSISDBHSA-N 1 2 388.309 3.704 20 30 GHEDLO C#CC[N@H+](Cc1cn(C)nc1CC)[C@@H]1CCOc2ccc(Br)cc21 ZINC000775696240 872951414 /nfs/dbraw/zinc/95/14/14/872951414.db2.gz ZHOQSUOUBCQWTG-GOSISDBHSA-N 1 2 388.309 3.704 20 30 GHEDLO N#Cc1ccc(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)cc1Cl ZINC000619763360 872976728 /nfs/dbraw/zinc/97/67/28/872976728.db2.gz ZUANUSDLPHQPNN-LJQANCHMSA-N 1 2 385.920 3.618 20 30 GHEDLO N#CCc1cccc2c1CC[N@@H+](CC(=O)NCC1(c3ccccc3)CCCC1)C2 ZINC001196622138 873262926 /nfs/dbraw/zinc/26/29/26/873262926.db2.gz CWWVHYDXSMYQIR-UHFFFAOYSA-N 1 2 387.527 3.739 20 30 GHEDLO N#CCc1cccc2c1CC[N@H+](CC(=O)NCC1(c3ccccc3)CCCC1)C2 ZINC001196622138 873262941 /nfs/dbraw/zinc/26/29/41/873262941.db2.gz CWWVHYDXSMYQIR-UHFFFAOYSA-N 1 2 387.527 3.739 20 30 GHEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCc3ccc(F)c(Br)c3C2)cc1 ZINC000527625119 873374569 /nfs/dbraw/zinc/37/45/69/873374569.db2.gz PIBQWSIGPBWXMM-QGZVFWFLSA-N 1 2 375.241 3.552 20 30 GHEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCc3ccc(F)c(Br)c3C2)cc1 ZINC000527625119 873374578 /nfs/dbraw/zinc/37/45/78/873374578.db2.gz PIBQWSIGPBWXMM-QGZVFWFLSA-N 1 2 375.241 3.552 20 30 GHEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000768550927 873380067 /nfs/dbraw/zinc/38/00/67/873380067.db2.gz DGFYPOHTHZPFQN-XLIONFOSSA-N 1 2 395.528 3.987 20 30 GHEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000768550927 873380077 /nfs/dbraw/zinc/38/00/77/873380077.db2.gz DGFYPOHTHZPFQN-XLIONFOSSA-N 1 2 395.528 3.987 20 30 GHEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1cc(C)nn1-c1ccccc1F ZINC000491316926 873496335 /nfs/dbraw/zinc/49/63/35/873496335.db2.gz NESGSWNCZKFONM-UHFFFAOYSA-N 1 2 382.439 3.582 20 30 GHEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1cc(C)nn1-c1ccccc1F ZINC000491316926 873496344 /nfs/dbraw/zinc/49/63/44/873496344.db2.gz NESGSWNCZKFONM-UHFFFAOYSA-N 1 2 382.439 3.582 20 30 GHEDLO C[C@H](NC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)c1ccc(C#N)cc1 ZINC000443551499 873726052 /nfs/dbraw/zinc/72/60/52/873726052.db2.gz SAFXLOZDKZVAHT-HNNXBMFYSA-N 1 2 382.895 3.630 20 30 GHEDLO C[C@H](NC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)c1ccc(C#N)cc1 ZINC000443551499 873726066 /nfs/dbraw/zinc/72/60/66/873726066.db2.gz SAFXLOZDKZVAHT-HNNXBMFYSA-N 1 2 382.895 3.630 20 30 GHEDLO CCCCCCCC(=O)c1ccc(O)c(C(=O)N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1 ZINC001197365229 873739597 /nfs/dbraw/zinc/73/95/97/873739597.db2.gz JFJDVLLKTCOMHL-WZONZLPQSA-N 1 2 386.536 3.959 20 30 GHEDLO CCOC(=O)c1csc(CC2CC[NH+](Cc3ccc(F)cc3C#N)CC2)n1 ZINC001197376479 873784307 /nfs/dbraw/zinc/78/43/07/873784307.db2.gz DUUPNKXGWYTKIL-UHFFFAOYSA-N 1 2 387.480 3.785 20 30 GHEDLO CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=S)Nc1cccc(C#N)c1 ZINC001197687523 873980718 /nfs/dbraw/zinc/98/07/18/873980718.db2.gz QDEJAWPGEBESJW-UHFFFAOYSA-N 1 2 378.461 3.519 20 30 GHEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccccc1Sc1ccccc1C#N ZINC000464527980 874021017 /nfs/dbraw/zinc/02/10/17/874021017.db2.gz RHSGKVNAWZOJBK-KRWDZBQOSA-N 1 2 395.528 3.502 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@@H](OCC3CC3)C2)c1C#N ZINC000494675371 882792592 /nfs/dbraw/zinc/79/25/92/882792592.db2.gz ZUPVEWGCQJUYFV-HXUWFJFHSA-N 1 2 398.551 3.921 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCC[C@@H](OCC3CC3)C2)c1C#N ZINC000494675371 882792600 /nfs/dbraw/zinc/79/26/00/882792600.db2.gz ZUPVEWGCQJUYFV-HXUWFJFHSA-N 1 2 398.551 3.921 20 30 GHEDLO CCN(CCC#N)C(=O)C[N@H+](C)Cc1ccccc1Oc1ccc(C)cc1OC ZINC001197900661 874097781 /nfs/dbraw/zinc/09/77/81/874097781.db2.gz BBDLKGXIUNPFFW-UHFFFAOYSA-N 1 2 395.503 3.990 20 30 GHEDLO CCN(CCC#N)C(=O)C[N@@H+](C)Cc1ccccc1Oc1ccc(C)cc1OC ZINC001197900661 874097795 /nfs/dbraw/zinc/09/77/95/874097795.db2.gz BBDLKGXIUNPFFW-UHFFFAOYSA-N 1 2 395.503 3.990 20 30 GHEDLO N#Cc1cccc(-c2nnc(C[NH+]3CCC(Oc4cccc(F)c4)CC3)o2)c1 ZINC000528574185 874757793 /nfs/dbraw/zinc/75/77/93/874757793.db2.gz JYGIEKCTMNWQDL-UHFFFAOYSA-N 1 2 378.407 3.791 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)N2CCC(CC#N)CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542039253 874833376 /nfs/dbraw/zinc/83/33/76/874833376.db2.gz PLSYFUPORSRJCH-PKOBYXMFSA-N 1 2 394.441 3.574 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)N2CCC(CC#N)CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542039253 874833393 /nfs/dbraw/zinc/83/33/93/874833393.db2.gz PLSYFUPORSRJCH-PKOBYXMFSA-N 1 2 394.441 3.574 20 30 GHEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000804457608 882871498 /nfs/dbraw/zinc/87/14/98/882871498.db2.gz AZXARGJFRWSNSQ-VXKWHMMOSA-N 1 2 378.541 3.527 20 30 GHEDLO CCOC(=O)[C@@H](c1ccc(Cl)cc1)[N@H+](CC)C[C@H](O)c1ccc(C#N)cc1 ZINC000772297754 875852953 /nfs/dbraw/zinc/85/29/53/875852953.db2.gz LZWNNKAOFINORB-VQTJNVASSA-N 1 2 386.879 3.871 20 30 GHEDLO CCOC(=O)[C@@H](c1ccc(Cl)cc1)[N@@H+](CC)C[C@H](O)c1ccc(C#N)cc1 ZINC000772297754 875852963 /nfs/dbraw/zinc/85/29/63/875852963.db2.gz LZWNNKAOFINORB-VQTJNVASSA-N 1 2 386.879 3.871 20 30 GHEDLO COc1cccc([C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C2CC2)c2ccccc2Cl)c1 ZINC000172921605 876015870 /nfs/dbraw/zinc/01/58/70/876015870.db2.gz FWQABWCNFOTXPZ-FGZHOGPDSA-N 1 2 397.906 3.836 20 30 GHEDLO Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000785979198 876381369 /nfs/dbraw/zinc/38/13/69/876381369.db2.gz MVHFMTQMVPZQCM-HOCLYGCPSA-N 1 2 383.414 3.863 20 30 GHEDLO C=CCn1c(-c2ccccc2F)nn(C[N@H+](C)C[C@H]2CCCOC2)c1=S ZINC000107671910 876382624 /nfs/dbraw/zinc/38/26/24/876382624.db2.gz LBNYYGBTBJSSFB-OAHLLOKOSA-N 1 2 376.501 3.722 20 30 GHEDLO C=CCn1c(-c2ccccc2F)nn(C[N@@H+](C)C[C@H]2CCCOC2)c1=S ZINC000107671910 876382639 /nfs/dbraw/zinc/38/26/39/876382639.db2.gz LBNYYGBTBJSSFB-OAHLLOKOSA-N 1 2 376.501 3.722 20 30 GHEDLO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2c(F)cncc2Br)c1 ZINC000850137558 876691822 /nfs/dbraw/zinc/69/18/22/876691822.db2.gz RGHKPWJAXAWHFK-CYBMUJFWSA-N 1 2 378.245 3.954 20 30 GHEDLO C[NH+]1CCN(c2ccc(NCc3cc(C#N)cs3)cc2Br)CC1 ZINC000786837011 876956839 /nfs/dbraw/zinc/95/68/39/876956839.db2.gz QOJBQXVRMUQRPR-UHFFFAOYSA-N 1 2 391.338 3.746 20 30 GHEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000492655598 877260443 /nfs/dbraw/zinc/26/04/43/877260443.db2.gz PBDPBSJIFKMEJA-SJORKVTESA-N 1 2 378.314 3.542 20 30 GHEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1cc(C#N)ccc1Br ZINC000492655598 877260457 /nfs/dbraw/zinc/26/04/57/877260457.db2.gz PBDPBSJIFKMEJA-SJORKVTESA-N 1 2 378.314 3.542 20 30 GHEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCc3ncc(C(C)(C)C)o3)c2)n1 ZINC000152243121 877407938 /nfs/dbraw/zinc/40/79/38/877407938.db2.gz ABSIQSKUDYBSHL-UHFFFAOYSA-N 1 2 381.480 3.671 20 30 GHEDLO C=CCCCC(=O)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000175349437 877634713 /nfs/dbraw/zinc/63/47/13/877634713.db2.gz ZUCCSBLBSXDPFZ-UHFFFAOYSA-N 1 2 382.483 3.520 20 30 GHEDLO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2c(F)cncc2F)ccc1Cl ZINC000285508253 912318783 /nfs/dbraw/zinc/31/87/83/912318783.db2.gz DFMUELMSJOSPPF-ZDUSSCGKSA-N 1 2 392.837 3.919 20 30 GHEDLO C[C@H](OC[C@H](O)C[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1)c1ccc(Cl)cc1 ZINC000852327692 878244180 /nfs/dbraw/zinc/24/41/80/878244180.db2.gz UTIZTNTWINCQDO-WEYGHZABSA-N 1 2 399.922 3.731 20 30 GHEDLO C[C@H](OC[C@H](O)C[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1)c1ccc(Cl)cc1 ZINC000852327692 878244202 /nfs/dbraw/zinc/24/42/02/878244202.db2.gz UTIZTNTWINCQDO-WEYGHZABSA-N 1 2 399.922 3.731 20 30 GHEDLO N#Cc1cccc(C2([NH2+]Cc3nnc(-c4cccc(F)c4)o3)CCOCC2)c1 ZINC000852565077 878427516 /nfs/dbraw/zinc/42/75/16/878427516.db2.gz MLSKJMWKKQBELL-UHFFFAOYSA-N 1 2 378.407 3.543 20 30 GHEDLO C=CCCOCCNC(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538041747 878745704 /nfs/dbraw/zinc/74/57/04/878745704.db2.gz NONZPVOVOFAIGF-ZWKOTPCHSA-N 1 2 383.895 3.506 20 30 GHEDLO C=CCCOCCNC(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538041747 878745721 /nfs/dbraw/zinc/74/57/21/878745721.db2.gz NONZPVOVOFAIGF-ZWKOTPCHSA-N 1 2 383.895 3.506 20 30 GHEDLO C#CCCCOc1ccc[nH+]c1N[C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000853442803 879020416 /nfs/dbraw/zinc/02/04/16/879020416.db2.gz VVDVACDSHBOKFR-FQEVSTJZSA-N 1 2 377.488 3.519 20 30 GHEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cn(-c3ccccc3)nc2-c2ccncc2)n1 ZINC000789761976 879242062 /nfs/dbraw/zinc/24/20/62/879242062.db2.gz NOFLATKZAZFDRG-UHFFFAOYSA-N 1 2 396.498 3.786 20 30 GHEDLO C#CCn1ccc(C[N@H+](CC)Cc2cn(-c3ccccc3)nc2-c2ccncc2)n1 ZINC000789761976 879242082 /nfs/dbraw/zinc/24/20/82/879242082.db2.gz NOFLATKZAZFDRG-UHFFFAOYSA-N 1 2 396.498 3.786 20 30 GHEDLO N#Cc1cccc(S(=O)(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1 ZINC000790425058 879706596 /nfs/dbraw/zinc/70/65/96/879706596.db2.gz WNGKBZSIYQPDKB-UHFFFAOYSA-N 1 2 379.441 3.526 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000246980012 879871671 /nfs/dbraw/zinc/87/16/71/879871671.db2.gz JRHRLKOEWMTPFE-AKJBCIBTSA-N 1 2 390.574 3.521 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000246980012 879871684 /nfs/dbraw/zinc/87/16/84/879871684.db2.gz JRHRLKOEWMTPFE-AKJBCIBTSA-N 1 2 390.574 3.521 20 30 GHEDLO N#CC1CC[NH+](CC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)CC1 ZINC000057873735 881127239 /nfs/dbraw/zinc/12/72/39/881127239.db2.gz BMCDBKXZZYVJOR-NRFANRHFSA-N 1 2 386.499 3.652 20 30 GHEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1cc(Cl)cn1C ZINC000120115744 881269417 /nfs/dbraw/zinc/26/94/17/881269417.db2.gz PZXSVSVNPOUUBY-AWEZNQCLSA-N 1 2 376.863 3.585 20 30 GHEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120115744 881269438 /nfs/dbraw/zinc/26/94/38/881269438.db2.gz PZXSVSVNPOUUBY-AWEZNQCLSA-N 1 2 376.863 3.585 20 30 GHEDLO C[C@@H]1CCCN(c2cc(N[C@@H]3CCCN(c4ccc(C#N)cc4F)C3)[nH+]cn2)C1 ZINC000609463905 883226195 /nfs/dbraw/zinc/22/61/95/883226195.db2.gz XBPRSMXCJAPTHC-SJLPKXTDSA-N 1 2 394.498 3.805 20 30 GHEDLO C[C@@H]1CCCN(c2cc(N[C@@H]3CCCN(c4ccc(C#N)cc4F)C3)nc[nH+]2)C1 ZINC000609463905 883226211 /nfs/dbraw/zinc/22/62/11/883226211.db2.gz XBPRSMXCJAPTHC-SJLPKXTDSA-N 1 2 394.498 3.805 20 30 GHEDLO CC(C)(C#N)c1ccccc1C[NH+]1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000135181750 883244154 /nfs/dbraw/zinc/24/41/54/883244154.db2.gz FYVQNXISGQNGIW-UHFFFAOYSA-N 1 2 383.442 3.724 20 30 GHEDLO COc1ccc(C(N)=[NH+]OCc2csc(-c3ccc(F)cc3)n2)cc1OC ZINC000064387906 883273493 /nfs/dbraw/zinc/27/34/93/883273493.db2.gz IOCSEFHOZRZKBV-UHFFFAOYSA-N 1 2 387.436 3.804 20 30 GHEDLO N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)cn2)c1 ZINC000609553599 883365422 /nfs/dbraw/zinc/36/54/22/883365422.db2.gz CKIOXVBJNQSAQJ-GOSISDBHSA-N 1 2 388.431 3.811 20 30 GHEDLO C#C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccc(Cl)cc1F ZINC000804902425 883467251 /nfs/dbraw/zinc/46/72/51/883467251.db2.gz FXRNCONPXBQOJZ-SFHVURJKSA-N 1 2 386.858 3.648 20 30 GHEDLO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(Br)cc1C#N ZINC000805745897 884019657 /nfs/dbraw/zinc/01/96/57/884019657.db2.gz KONCSTHIMMKPTA-GFCCVEGCSA-N 1 2 382.302 3.666 20 30 GHEDLO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(Br)cc1C#N ZINC000805745897 884019669 /nfs/dbraw/zinc/01/96/69/884019669.db2.gz KONCSTHIMMKPTA-GFCCVEGCSA-N 1 2 382.302 3.666 20 30 GHEDLO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000805740923 884049514 /nfs/dbraw/zinc/04/95/14/884049514.db2.gz RMVVLCAVYPINSS-ZDUSSCGKSA-N 1 2 394.313 3.667 20 30 GHEDLO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000805740923 884049531 /nfs/dbraw/zinc/04/95/31/884049531.db2.gz RMVVLCAVYPINSS-ZDUSSCGKSA-N 1 2 394.313 3.667 20 30 GHEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@H](O)Cc3ccc(C(F)(F)F)cc3)CCO2)c1 ZINC000761764513 884142146 /nfs/dbraw/zinc/14/21/46/884142146.db2.gz AYTUWYSGLAKTHR-UXHICEINSA-N 1 2 390.405 3.554 20 30 GHEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@H](O)Cc3ccc(C(F)(F)F)cc3)CCO2)c1 ZINC000761764513 884142154 /nfs/dbraw/zinc/14/21/54/884142154.db2.gz AYTUWYSGLAKTHR-UXHICEINSA-N 1 2 390.405 3.554 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC([C@@H](O)c3cccc(OC)c3)CC2)c1C ZINC000860141517 884361752 /nfs/dbraw/zinc/36/17/52/884361752.db2.gz HMAAZURKJKRPBW-XMMPIXPASA-N 1 2 396.531 3.928 20 30 GHEDLO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCCn1cc[nH+]c1 ZINC000102796579 884445764 /nfs/dbraw/zinc/44/57/64/884445764.db2.gz RHPDVHCTWHZOLN-UHFFFAOYSA-N 1 2 389.459 3.854 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)NC1(Cc2ccc(O)cc2)CC1 ZINC001183839869 912843820 /nfs/dbraw/zinc/84/38/20/912843820.db2.gz PTDIPWFTANCHHQ-QFIPXVFZSA-N 1 2 389.499 3.510 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)NC1(Cc2ccc(O)cc2)CC1 ZINC001183839869 912843831 /nfs/dbraw/zinc/84/38/31/912843831.db2.gz PTDIPWFTANCHHQ-QFIPXVFZSA-N 1 2 389.499 3.510 20 30 GHEDLO C=CCC1(NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CCOCC1 ZINC000666450591 885095512 /nfs/dbraw/zinc/09/55/12/885095512.db2.gz DRJPZSWMRKERPZ-UHFFFAOYSA-N 1 2 378.476 3.849 20 30 GHEDLO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104714088 885577844 /nfs/dbraw/zinc/57/78/44/885577844.db2.gz FMBNYXIRWPMHJP-CQSZACIVSA-N 1 2 385.414 3.707 20 30 GHEDLO CC(C)(C)[C@H]1CC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1O ZINC000495475342 885898395 /nfs/dbraw/zinc/89/83/95/885898395.db2.gz JTCHZOZXWHEEAI-IRXDYDNUSA-N 1 2 389.565 3.556 20 30 GHEDLO CC(C)(C)[C@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1O ZINC000495475342 885898406 /nfs/dbraw/zinc/89/84/06/885898406.db2.gz JTCHZOZXWHEEAI-IRXDYDNUSA-N 1 2 389.565 3.556 20 30 GHEDLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)c(OC)c1 ZINC000173459334 886373440 /nfs/dbraw/zinc/37/34/40/886373440.db2.gz KMYZULACAHOTFY-IBGZPJMESA-N 1 2 390.443 3.963 20 30 GHEDLO COc1ccc([C@@H]2CCC[N@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)c(OC)c1 ZINC000173459334 886373459 /nfs/dbraw/zinc/37/34/59/886373459.db2.gz KMYZULACAHOTFY-IBGZPJMESA-N 1 2 390.443 3.963 20 30 GHEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)cc1 ZINC000808778540 886764683 /nfs/dbraw/zinc/76/46/83/886764683.db2.gz ZLNGQNXFASNLRF-RBUKOAKNSA-N 1 2 392.377 3.564 20 30 GHEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCO[C@@H](c3cccc(OC(F)(F)F)c3)C2)cc1 ZINC000808778540 886764698 /nfs/dbraw/zinc/76/46/98/886764698.db2.gz ZLNGQNXFASNLRF-RBUKOAKNSA-N 1 2 392.377 3.564 20 30 GHEDLO CC(=NNC(=S)Nc1ccc(N(C)C)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000729637236 887376274 /nfs/dbraw/zinc/37/62/74/887376274.db2.gz XFLXDCAJYKZGBR-UHFFFAOYSA-N 1 2 378.505 3.649 20 30 GHEDLO C=CC[N@@H+](CCc1ccco1)Cn1c(=O)oc2cccc(Br)c21 ZINC000794639644 887670501 /nfs/dbraw/zinc/67/05/01/887670501.db2.gz NCLHKUQWTZCTMH-UHFFFAOYSA-N 1 2 377.238 3.638 20 30 GHEDLO C=CC[N@H+](CCc1ccco1)Cn1c(=O)oc2cccc(Br)c21 ZINC000794639644 887670507 /nfs/dbraw/zinc/67/05/07/887670507.db2.gz NCLHKUQWTZCTMH-UHFFFAOYSA-N 1 2 377.238 3.638 20 30 GHEDLO C#C[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C(=O)OC)cc1)c1ccc(Cl)cc1F ZINC000809699278 887680438 /nfs/dbraw/zinc/68/04/38/887680438.db2.gz NEGPMDGWHWZNKY-ORAYPTAESA-N 1 2 375.827 3.884 20 30 GHEDLO N#Cc1ccc(C(F)(F)F)nc1N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000272571703 887771730 /nfs/dbraw/zinc/77/17/30/887771730.db2.gz TYRILVFVZRWGGI-UHFFFAOYSA-N 1 2 397.404 3.974 20 30 GHEDLO C[NH+](C)Cc1cnc(/C=C2/Cc3c(cc(Br)cc3F)C2=O)s1 ZINC000794708038 887924670 /nfs/dbraw/zinc/92/46/70/887924670.db2.gz PVQDGXYGJDAWKY-WTKPLQERSA-N 1 2 381.270 3.929 20 30 GHEDLO FC(F)(F)c1ccc(Cl)c(NC(=S)NN=C2C[NH+]3CCC2CC3)c1 ZINC000864864696 888041885 /nfs/dbraw/zinc/04/18/85/888041885.db2.gz CUHWYVKONUFASD-UHFFFAOYSA-N 1 2 376.835 3.727 20 30 GHEDLO NC(=[NH+]OCc1ccn(C2CCCC2)n1)c1ccc(OCc2cccnc2)cc1 ZINC000763179971 888091703 /nfs/dbraw/zinc/09/17/03/888091703.db2.gz MTWQTICPKDJNCU-UHFFFAOYSA-N 1 2 391.475 3.809 20 30 GHEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000287256087 913217484 /nfs/dbraw/zinc/21/74/84/913217484.db2.gz HCVYQIDYJCYNLX-NRFANRHFSA-N 1 2 390.531 3.743 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000454757227 889695036 /nfs/dbraw/zinc/69/50/36/889695036.db2.gz JJSQZALWGURNPD-BMIPRAEKSA-N 1 2 392.906 3.996 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000454757227 889695044 /nfs/dbraw/zinc/69/50/44/889695044.db2.gz JJSQZALWGURNPD-BMIPRAEKSA-N 1 2 392.906 3.996 20 30 GHEDLO N#CCCn1cc(C[NH+]2CC(O)(c3ccc(Cl)cc3)C2)c(-c2ccccc2)n1 ZINC000811509041 889700621 /nfs/dbraw/zinc/70/06/21/889700621.db2.gz LVMXKQGFVKTDGX-UHFFFAOYSA-N 1 2 392.890 3.821 20 30 GHEDLO CCc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CCS(=O)(=O)c2cccc(C#N)c2)o1 ZINC000533148858 889890220 /nfs/dbraw/zinc/89/02/20/889890220.db2.gz MTKSLSFHCJINDU-JXFKEZNVSA-N 1 2 386.517 3.961 20 30 GHEDLO CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CCS(=O)(=O)c2cccc(C#N)c2)o1 ZINC000533148858 889890226 /nfs/dbraw/zinc/89/02/26/889890226.db2.gz MTKSLSFHCJINDU-JXFKEZNVSA-N 1 2 386.517 3.961 20 30 GHEDLO C=CCn1c(=S)n(C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)nc1C1CC1 ZINC000811784180 889997700 /nfs/dbraw/zinc/99/77/00/889997700.db2.gz PQBPRPDZBMKLSJ-SFHVURJKSA-N 1 2 381.549 3.572 20 30 GHEDLO C=CCn1c(=S)n(C[N@H+]2CCCN3c4ccccc4C[C@H]3C2)nc1C1CC1 ZINC000811784180 889997712 /nfs/dbraw/zinc/99/77/12/889997712.db2.gz PQBPRPDZBMKLSJ-SFHVURJKSA-N 1 2 381.549 3.572 20 30 GHEDLO C[C@@H](c1nc(-c2cccs2)no1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000105901983 890930618 /nfs/dbraw/zinc/93/06/18/890930618.db2.gz XAOYLWOUBMKBFH-HNNXBMFYSA-N 1 2 379.489 3.549 20 30 GHEDLO C#C[C@@H](NC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)c1ccc(F)cc1 ZINC000812936926 891147535 /nfs/dbraw/zinc/14/75/35/891147535.db2.gz WRXLNBGGVCKDLC-JOCHJYFZSA-N 1 2 394.494 3.534 20 30 GHEDLO C[C@@H](Cc1cccc(Cl)c1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000533704041 891232662 /nfs/dbraw/zinc/23/26/62/891232662.db2.gz NNTRSQWTVWQWCM-KRWDZBQOSA-N 1 2 381.907 3.735 20 30 GHEDLO C=C[C@H](CC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1)c1ccccc1 ZINC000128094195 891412579 /nfs/dbraw/zinc/41/25/79/891412579.db2.gz YHRMDAQOCHIURN-LJQANCHMSA-N 1 2 391.515 3.566 20 30 GHEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)N[C@@](C)(C2CCCCC2)C1=O ZINC000917457331 892028960 /nfs/dbraw/zinc/02/89/60/892028960.db2.gz GRULOCXLNRGWHE-QFIPXVFZSA-N 1 2 382.508 3.619 20 30 GHEDLO CCC[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)N[C@@](C)(C2CCCCC2)C1=O ZINC000917457331 892028978 /nfs/dbraw/zinc/02/89/78/892028978.db2.gz GRULOCXLNRGWHE-QFIPXVFZSA-N 1 2 382.508 3.619 20 30 GHEDLO C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(c2nc3ccccn3c2C#N)CC1 ZINC000611740081 892384095 /nfs/dbraw/zinc/38/40/95/892384095.db2.gz VKVFRXCNCLWNEW-HNNXBMFYSA-N 1 2 388.500 3.699 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCCc2cccc(C#N)c2)C[C@H](C)O1 ZINC000466821108 913722157 /nfs/dbraw/zinc/72/21/57/913722157.db2.gz FNFWZMFGXFFXBV-HDICACEKSA-N 1 2 392.503 3.532 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCCc2cccc(C#N)c2)C[C@H](C)O1 ZINC000466821108 913722171 /nfs/dbraw/zinc/72/21/71/913722171.db2.gz FNFWZMFGXFFXBV-HDICACEKSA-N 1 2 392.503 3.532 20 30 GHEDLO CC(C)c1nc(C#N)c(N[NH2+]C=C(CC(F)(F)F)NC(=O)OC(C)(C)C)o1 ZINC000814821065 893206044 /nfs/dbraw/zinc/20/60/44/893206044.db2.gz UVJMOKLGOWIHQH-SNVBAGLBSA-N 1 2 389.378 3.913 20 30 GHEDLO N#Cc1cnc(Cl)c(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)c1 ZINC000876612257 893255169 /nfs/dbraw/zinc/25/51/69/893255169.db2.gz HHBVFDWBPCOISP-CYBMUJFWSA-N 1 2 390.274 3.506 20 30 GHEDLO N#Cc1cnc(Cl)c(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)c1 ZINC000876612257 893255181 /nfs/dbraw/zinc/25/51/81/893255181.db2.gz HHBVFDWBPCOISP-CYBMUJFWSA-N 1 2 390.274 3.506 20 30 GHEDLO C[C@@H]1CCc2nc(NC(=O)[C@H](c3ccc(Cl)cc3)[NH+](C)C)c(C#N)cc2C1 ZINC001135108665 894019139 /nfs/dbraw/zinc/01/91/39/894019139.db2.gz OZTOQNLMPFWBGH-YJYMSZOUSA-N 1 2 382.895 3.973 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2c(F)cccc2F)cc1 ZINC000537029615 894237666 /nfs/dbraw/zinc/23/76/66/894237666.db2.gz FOFPACGNUKVRFY-OAHLLOKOSA-N 1 2 387.430 3.961 20 30 GHEDLO CC[C@H](CC#N)[NH2+]CC(=O)N(Cc1ccccc1)c1nc2c(s1)CCCC2 ZINC000565172160 895439145 /nfs/dbraw/zinc/43/91/45/895439145.db2.gz PDYRQDQJEXKTHO-QGZVFWFLSA-N 1 2 382.533 3.837 20 30 GHEDLO C[C@@H]1CCN(C(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000880927042 896004867 /nfs/dbraw/zinc/00/48/67/896004867.db2.gz DWKRVENXVMANNZ-XOKHGSTOSA-N 1 2 391.397 3.651 20 30 GHEDLO CC[C@@H](Nc1nc(C#N)c(Cl)s1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001185677503 914036264 /nfs/dbraw/zinc/03/62/64/914036264.db2.gz XGWYEYIFSKNHTM-GDBMZVCRSA-N 1 2 376.913 3.760 20 30 GHEDLO CC[C@@H](Nc1nc(C#N)c(Cl)s1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001185677503 914036275 /nfs/dbraw/zinc/03/62/75/914036275.db2.gz XGWYEYIFSKNHTM-GDBMZVCRSA-N 1 2 376.913 3.760 20 30 GHEDLO CC1CC[NH+](Cc2csc(NC(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)n2)CC1 ZINC000566548230 896372375 /nfs/dbraw/zinc/37/23/75/896372375.db2.gz NLADDTJFHCVBDB-RBUKOAKNSA-N 1 2 380.517 3.989 20 30 GHEDLO C[C@H](c1cccc(NC(=O)[C@@H](C#N)CCc2ccccc2)c1)[NH+]1CCOCC1 ZINC001136717226 899018994 /nfs/dbraw/zinc/01/89/94/899018994.db2.gz FUJMQBOEPBBZBB-WIYYLYMNSA-N 1 2 377.488 3.791 20 30 GHEDLO C[C@@H](c1ccco1)[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CC1 ZINC000119158818 899549052 /nfs/dbraw/zinc/54/90/52/899549052.db2.gz BTUTVBSHLMUFNX-HNNXBMFYSA-N 1 2 375.432 3.501 20 30 GHEDLO C[C@@H](c1ccco1)[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CC1 ZINC000119158818 899549061 /nfs/dbraw/zinc/54/90/61/899549061.db2.gz BTUTVBSHLMUFNX-HNNXBMFYSA-N 1 2 375.432 3.501 20 30 GHEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000824866454 899844811 /nfs/dbraw/zinc/84/48/11/899844811.db2.gz CNOOSBBOAPLGAH-UHFFFAOYSA-N 1 2 381.457 3.835 20 30 GHEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000572518974 900212620 /nfs/dbraw/zinc/21/26/20/900212620.db2.gz TWURAQNQAWLFSU-UHFFFAOYSA-N 1 2 393.462 3.508 20 30 GHEDLO C=CCC1(O)CC[NH+]([C@@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@H](C)CC4)CC1 ZINC000886757959 901256744 /nfs/dbraw/zinc/25/67/44/901256744.db2.gz WDBMVAUKUQJZBL-KGLIPLIRSA-N 1 2 387.549 3.986 20 30 GHEDLO N#C[C@H]1CC=C(Nc2ccc(C(=O)N3CCN(c4cccc[nH+]4)CC3)cc2)CC1 ZINC001212862260 901682568 /nfs/dbraw/zinc/68/25/68/901682568.db2.gz GAZNMRWOHKCVDC-SFHVURJKSA-N 1 2 387.487 3.663 20 30 GHEDLO CC1CC[NH+](Cc2csc(NC(=O)c3c(F)cc(C#N)cc3F)n2)CC1 ZINC000124398604 902062956 /nfs/dbraw/zinc/06/29/56/902062956.db2.gz IDGLIXZJSBXCMG-UHFFFAOYSA-N 1 2 376.432 3.777 20 30 GHEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2c(F)cc(C#N)cc2F)C[C@@H](C)O1 ZINC000125638540 902233186 /nfs/dbraw/zinc/23/31/86/902233186.db2.gz MKYDHCXNKCUIBU-ZIAGYGMSSA-N 1 2 385.414 3.698 20 30 GHEDLO C[C@@H](CC(=O)OC[C@@H](C#N)Cc1ccccc1Br)n1cc[nH+]c1 ZINC000845542945 902236429 /nfs/dbraw/zinc/23/64/29/902236429.db2.gz XXBPAKOJWLCYHB-UONOGXRCSA-N 1 2 376.254 3.522 20 30 GHEDLO CCOc1cc(C)ccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000047764141 902384607 /nfs/dbraw/zinc/38/46/07/902384607.db2.gz HPWRZIRVFBOZLH-UHFFFAOYSA-N 1 2 378.476 3.615 20 30 GHEDLO C#Cc1ccc(C[N@@H+]2CCO[C@@H](c3ncn4c3cccc4Br)C2)cc1 ZINC001144568408 902399900 /nfs/dbraw/zinc/39/99/00/902399900.db2.gz UQGMMVWDDGGBJF-GOSISDBHSA-N 1 2 396.288 3.652 20 30 GHEDLO C#Cc1ccc(C[N@H+]2CCO[C@@H](c3ncn4c3cccc4Br)C2)cc1 ZINC001144568408 902399908 /nfs/dbraw/zinc/39/99/08/902399908.db2.gz UQGMMVWDDGGBJF-GOSISDBHSA-N 1 2 396.288 3.652 20 30 GHEDLO C#Cc1ccc(CN2CCO[C@@H](c3[nH+]cn4c3cccc4Br)C2)cc1 ZINC001144568408 902399916 /nfs/dbraw/zinc/39/99/16/902399916.db2.gz UQGMMVWDDGGBJF-GOSISDBHSA-N 1 2 396.288 3.652 20 30 GHEDLO C[N@@H+](Cc1cc(Br)cnc1Cl)C[C@@H](O)c1cccc(C#N)c1 ZINC000846006028 902587760 /nfs/dbraw/zinc/58/77/60/902587760.db2.gz GDJRZFAZSCIDII-OAHLLOKOSA-N 1 2 380.673 3.535 20 30 GHEDLO C[N@H+](Cc1cc(Br)cnc1Cl)C[C@@H](O)c1cccc(C#N)c1 ZINC000846006028 902587768 /nfs/dbraw/zinc/58/77/68/902587768.db2.gz GDJRZFAZSCIDII-OAHLLOKOSA-N 1 2 380.673 3.535 20 30 GHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCc3ccc(OCC#N)cc3)n2)C1 ZINC000263938402 902699011 /nfs/dbraw/zinc/69/90/11/902699011.db2.gz PCSVVXSREHHCPM-HNNXBMFYSA-N 1 2 399.520 3.599 20 30 GHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCc3ccc(OCC#N)cc3)n2)C1 ZINC000263938402 902699018 /nfs/dbraw/zinc/69/90/18/902699018.db2.gz PCSVVXSREHHCPM-HNNXBMFYSA-N 1 2 399.520 3.599 20 30 GHEDLO Cc1cn2cc(NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)ccc2[nH+]1 ZINC000846852247 903270724 /nfs/dbraw/zinc/27/07/24/903270724.db2.gz QILSEXNTTKDQSM-INIZCTEOSA-N 1 2 385.468 3.559 20 30 GHEDLO CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=O)c1cccc([C@H](C)C#N)c1 ZINC001148614404 904139547 /nfs/dbraw/zinc/13/95/47/904139547.db2.gz SDKWPIAXSXZMCB-CQSZACIVSA-N 1 2 375.432 3.718 20 30 GHEDLO C=CC[N@@H+](CCc1ccco1)Cn1c(=O)oc2cc(Br)c(F)cc21 ZINC000773323394 904714058 /nfs/dbraw/zinc/71/40/58/904714058.db2.gz VRIGYDOYLARZSP-UHFFFAOYSA-N 1 2 395.228 3.777 20 30 GHEDLO C=CC[N@H+](CCc1ccco1)Cn1c(=O)oc2cc(Br)c(F)cc21 ZINC000773323394 904714062 /nfs/dbraw/zinc/71/40/62/904714062.db2.gz VRIGYDOYLARZSP-UHFFFAOYSA-N 1 2 395.228 3.777 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)C3(c4ccc(C#N)cc4)CC3)n2)C1 ZINC000189053648 905024345 /nfs/dbraw/zinc/02/43/45/905024345.db2.gz LSJVIQLEFNSAAJ-OAHLLOKOSA-N 1 2 380.517 3.917 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)C3(c4ccc(C#N)cc4)CC3)n2)C1 ZINC000189053648 905024367 /nfs/dbraw/zinc/02/43/67/905024367.db2.gz LSJVIQLEFNSAAJ-OAHLLOKOSA-N 1 2 380.517 3.917 20 30 GHEDLO C=CCOC(=O)[C@@H](Cc1ccc(OC(C)(C)C)cc1)[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172235636 905439484 /nfs/dbraw/zinc/43/94/84/905439484.db2.gz CZVGENFMJJJIEB-VCYXJBJXSA-N 1 2 385.504 3.580 20 30 GHEDLO O=C1C[C@@H]([NH2+]CC(F)(F)C(F)(F)C(F)(F)F)CCN1Cc1ccccc1 ZINC001172663604 905726577 /nfs/dbraw/zinc/72/65/77/905726577.db2.gz OWXUQBKDAUFMOF-LBPRGKRZSA-N 1 2 386.311 3.600 20 30 GHEDLO COc1cccc([C@@H]([NH2+]Cc2cc(C#N)n(C)c2)c2cc(F)ccc2OC)c1 ZINC000191265500 906819836 /nfs/dbraw/zinc/81/98/36/906819836.db2.gz ZGKJMHNSKSLSDM-JOCHJYFZSA-N 1 2 379.435 3.932 20 30 GHEDLO Cc1nc(N2CCN(C(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)cc[nH+]1 ZINC000184011936 907499494 /nfs/dbraw/zinc/49/94/94/907499494.db2.gz OUQRZZPPUZZOFE-HNNXBMFYSA-N 1 2 396.520 3.533 20 30 GHEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)/C=C/c2ccc(OCC#N)cc2)CC1 ZINC000184364202 907571621 /nfs/dbraw/zinc/57/16/21/907571621.db2.gz GCJXBESOPCGQBM-PFWMLDTASA-N 1 2 381.501 3.569 20 30 GHEDLO C[C@H](C#N)OCCSc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC000801654837 921362450 /nfs/dbraw/zinc/36/24/50/921362450.db2.gz OTBIFEIUGADWCE-CQSZACIVSA-N 1 2 391.928 3.537 20 30 GHEDLO Cc1cc(NCc2cn(CCC#N)nc2-c2ccncc2)ccc1-n1cc[nH+]c1 ZINC001178138734 908902097 /nfs/dbraw/zinc/90/20/97/908902097.db2.gz HKZWNKCXBGRIRJ-UHFFFAOYSA-N 1 2 383.459 3.965 20 30 GHEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c(Cl)cccc1Br ZINC001276025770 921482919 /nfs/dbraw/zinc/48/29/19/921482919.db2.gz QZSRPMAMVZMNIV-SFHVURJKSA-N 1 2 395.728 3.693 20 30 GHEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c(Cl)cccc1Br ZINC001276025770 921482932 /nfs/dbraw/zinc/48/29/32/921482932.db2.gz QZSRPMAMVZMNIV-SFHVURJKSA-N 1 2 395.728 3.693 20 30 GHEDLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N[C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000635851652 909362745 /nfs/dbraw/zinc/36/27/45/909362745.db2.gz NZEGVGRAIYTKAK-AAEUAGOBSA-N 1 2 383.267 3.936 20 30 GHEDLO N#CCCCN1CCC2(CC[NH+](Cc3sc(Cl)nc3Cl)CC2)C1=O ZINC001276029519 921521252 /nfs/dbraw/zinc/52/12/52/921521252.db2.gz IEDHAGAEVJPIOJ-UHFFFAOYSA-N 1 2 387.336 3.568 20 30 GHEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccc(Br)c1F ZINC001275631920 915470144 /nfs/dbraw/zinc/47/01/44/915470144.db2.gz SEYSDALFYQLTMF-HZPDHXFCSA-N 1 2 381.289 3.730 20 30 GHEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccc(Br)c1F ZINC001275631920 915470150 /nfs/dbraw/zinc/47/01/50/915470150.db2.gz SEYSDALFYQLTMF-HZPDHXFCSA-N 1 2 381.289 3.730 20 30 GHEDLO CCCCCCCCS(=O)(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001188028929 915720657 /nfs/dbraw/zinc/72/06/57/915720657.db2.gz KABDTSLQWPDXKX-UHFFFAOYSA-N 1 2 391.581 3.825 20 30 GHEDLO CCOCOc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)cc1 ZINC000775180660 916062543 /nfs/dbraw/zinc/06/25/43/916062543.db2.gz KJDADYWFVKKCOP-UHFFFAOYSA-N 1 2 385.895 3.907 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](Cc3nnc(-c4cccc(F)c4)o3)CC2)c(F)c1 ZINC000796515101 917946571 /nfs/dbraw/zinc/94/65/71/917946571.db2.gz XZJRDTNTMBFYGU-UHFFFAOYSA-N 1 2 396.397 3.930 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCCC(=O)c3ccccc3)CC2)cc1 ZINC000900045048 919769877 /nfs/dbraw/zinc/76/98/77/919769877.db2.gz INQHFNSFKBXHFR-UHFFFAOYSA-N 1 2 389.499 3.646 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCCC(=O)c3ccccc3)CC2)cc1 ZINC000900045048 919769888 /nfs/dbraw/zinc/76/98/88/919769888.db2.gz INQHFNSFKBXHFR-UHFFFAOYSA-N 1 2 389.499 3.646 20 30 GHEDLO C=CCC[C@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2noc(C)n2)CC1)c1ccccc1 ZINC000364713727 919894404 /nfs/dbraw/zinc/89/44/04/919894404.db2.gz GXEQEGAYXHDGLQ-SFTDATJTSA-N 1 2 396.535 3.941 20 30 GHEDLO C=CCC[C@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2noc(C)n2)CC1)c1ccccc1 ZINC000364713727 919894418 /nfs/dbraw/zinc/89/44/18/919894418.db2.gz GXEQEGAYXHDGLQ-SFTDATJTSA-N 1 2 396.535 3.941 20 30 GHEDLO N#Cc1c(Cl)cccc1C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCC(F)(F)F ZINC001275956101 920184438 /nfs/dbraw/zinc/18/44/38/920184438.db2.gz CIPTZLNTLJSCKG-HZPDHXFCSA-N 1 2 385.817 3.729 20 30 GHEDLO N#Cc1c(Cl)cccc1C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCC(F)(F)F ZINC001275956101 920184450 /nfs/dbraw/zinc/18/44/50/920184450.db2.gz CIPTZLNTLJSCKG-HZPDHXFCSA-N 1 2 385.817 3.729 20 30 GHEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2cn(CCCC#N)c3ccccc23)C1 ZINC000365524113 920904738 /nfs/dbraw/zinc/90/47/38/920904738.db2.gz SNJNEDHZKMEDFC-SFHVURJKSA-N 1 2 389.503 3.773 20 30 GHEDLO Cc1nc(NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)sc1SCC#N ZINC000369650057 923514688 /nfs/dbraw/zinc/51/46/88/923514688.db2.gz VJNFNGGFLJNTBO-LLVKDONJSA-N 1 2 375.523 3.657 20 30 GHEDLO Cc1nc(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)sc1SCC#N ZINC000369650057 923514705 /nfs/dbraw/zinc/51/47/05/923514705.db2.gz VJNFNGGFLJNTBO-LLVKDONJSA-N 1 2 375.523 3.657 20 30 GHEDLO COCC#CC[N@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(C)C ZINC000677819181 924509845 /nfs/dbraw/zinc/50/98/45/924509845.db2.gz UABRUMPKCYUFER-UHFFFAOYSA-N 1 2 376.806 3.658 20 30 GHEDLO COCC#CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(C)C ZINC000677819181 924509851 /nfs/dbraw/zinc/50/98/51/924509851.db2.gz UABRUMPKCYUFER-UHFFFAOYSA-N 1 2 376.806 3.658 20 30 GHEDLO C=CCN(CCc1ccco1)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000679378129 925115098 /nfs/dbraw/zinc/11/50/98/925115098.db2.gz DAEUTWTVZGPCHA-HXUWFJFHSA-N 1 2 378.476 3.737 20 30 GHEDLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000372317978 925333472 /nfs/dbraw/zinc/33/34/72/925333472.db2.gz BGRXFLKTWXBISR-UHFFFAOYSA-N 1 2 376.464 3.501 20 30 GHEDLO C=CCCc1ccccc1NC(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1c[nH+]cn1C ZINC000410345081 925555210 /nfs/dbraw/zinc/55/52/10/925555210.db2.gz OGKPXWRWSHYNDH-XMSQKQJNSA-N 1 2 394.519 3.867 20 30 GHEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2ccc(-c3ncco3)cc2F)CC1 ZINC000411374152 926341913 /nfs/dbraw/zinc/34/19/13/926341913.db2.gz KSZAXKNPMVNEQJ-NRFANRHFSA-N 1 2 376.435 3.863 20 30 GHEDLO O=S(=O)(c1ccc(N[NH+]=Cc2c(F)cccc2N2CCCC2)cc1)C(F)F ZINC000726426123 926657907 /nfs/dbraw/zinc/65/79/07/926657907.db2.gz ILILDUVLZCDCCM-UHFFFAOYSA-N 1 2 397.422 3.868 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(c2ccncn2)CC1 ZINC000411830095 926832505 /nfs/dbraw/zinc/83/25/05/926832505.db2.gz WMFPUGFJKNEIAC-INIZCTEOSA-N 1 2 395.532 3.689 20 30 GHEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000374354477 927046383 /nfs/dbraw/zinc/04/63/83/927046383.db2.gz ULYVFVCWDHZXOY-CYBMUJFWSA-N 1 2 379.382 3.633 20 30 GHEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)nc1-c1cccs1 ZINC000749802436 927280875 /nfs/dbraw/zinc/28/08/75/927280875.db2.gz XJSUJHREYMUCPN-HUUCEWRRSA-N 1 2 376.551 3.644 20 30 GHEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)nc1-c1cccs1 ZINC000749802436 927280885 /nfs/dbraw/zinc/28/08/85/927280885.db2.gz XJSUJHREYMUCPN-HUUCEWRRSA-N 1 2 376.551 3.644 20 30 GHEDLO CC1(C)C(=O)N(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)[C@@H]1c1ccccc1 ZINC000749952593 927368562 /nfs/dbraw/zinc/36/85/62/927368562.db2.gz VWUXLZCIGKGYFX-JOCHJYFZSA-N 1 2 389.499 3.969 20 30 GHEDLO COc1c(C)c[nH+]c(CNC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1C ZINC000752008875 928549119 /nfs/dbraw/zinc/54/91/19/928549119.db2.gz AFGKSMTZGOFMAF-UYAOXDASSA-N 1 2 378.476 3.688 20 30 GHEDLO C=CCn1c(C)nn(C[N@@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1=S ZINC000758265261 929994557 /nfs/dbraw/zinc/99/45/57/929994557.db2.gz WFMZTIXPSDDHFC-QZTJIDSGSA-N 1 2 376.501 3.857 20 30 GHEDLO C=CCn1c(C)nn(C[N@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1=S ZINC000758265261 929994563 /nfs/dbraw/zinc/99/45/63/929994563.db2.gz WFMZTIXPSDDHFC-QZTJIDSGSA-N 1 2 376.501 3.857 20 30 GHEDLO CC1(C)OCc2cc(C[NH+]3CCN(Cc4ccc(C#N)cc4)CC3)ccc2O1 ZINC000469910513 930250732 /nfs/dbraw/zinc/25/07/32/930250732.db2.gz VTXLJYBKNQNWRI-UHFFFAOYSA-N 1 2 377.488 3.521 20 30 GHEDLO Cc1cc(C)c(C#N)c(NCCc2cn3cc(Br)cc(C)c3[nH+]2)n1 ZINC000546757619 930405356 /nfs/dbraw/zinc/40/53/56/930405356.db2.gz CGEKKSSRLUGQJM-UHFFFAOYSA-N 1 2 384.281 3.943 20 30 GHEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000780677429 930574411 /nfs/dbraw/zinc/57/44/11/930574411.db2.gz GNOWOTYBNLWLRJ-QFBILLFUSA-N 1 2 389.459 3.816 20 30 GHEDLO CCCC[C@@H](ON=C(C)C)C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000781091248 930697128 /nfs/dbraw/zinc/69/71/28/930697128.db2.gz SYOUSXZZEUERHD-HXUWFJFHSA-N 1 2 375.513 3.737 20 30 GHEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](CCC(=O)c2ccc(F)cc2)CC1 ZINC000471009670 931092296 /nfs/dbraw/zinc/09/22/96/931092296.db2.gz WJIJSIAULITTOI-HXUWFJFHSA-N 1 2 385.870 3.934 20 30 GHEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)nc1-c1ccncc1 ZINC000782287159 931158364 /nfs/dbraw/zinc/15/83/64/931158364.db2.gz FESGOWWSRCTRBI-SFHVURJKSA-N 1 2 392.532 3.579 20 30 GHEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)nc1-c1ccncc1 ZINC000782287159 931158366 /nfs/dbraw/zinc/15/83/66/931158366.db2.gz FESGOWWSRCTRBI-SFHVURJKSA-N 1 2 392.532 3.579 20 30 GHEDLO C#CC[C@H]([NH2+][C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21)c1ccccc1 ZINC000925635896 931845645 /nfs/dbraw/zinc/84/56/45/931845645.db2.gz UVEDBPHZIRPDAF-OALUTQOASA-N 1 2 392.503 3.628 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@]3(C2)CCc2ccccc2O3)c(C#N)c1C ZINC000558466649 932018958 /nfs/dbraw/zinc/01/89/58/932018958.db2.gz PQZKAGVGENFKFJ-QRQCRPRQSA-N 1 2 379.460 3.565 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@]3(C2)CCc2ccccc2O3)c(C#N)c1C ZINC000558466649 932018964 /nfs/dbraw/zinc/01/89/64/932018964.db2.gz PQZKAGVGENFKFJ-QRQCRPRQSA-N 1 2 379.460 3.565 20 30 GHEDLO C=CCn1c(C2CCCC2)nnc1N1CC[NH+](Cc2cc(F)ccc2OC)CC1 ZINC000558676599 932157661 /nfs/dbraw/zinc/15/76/61/932157661.db2.gz VVWQYVOBDUVPSU-UHFFFAOYSA-N 1 2 399.514 3.592 20 30 GHEDLO C[C@@H]([NH2+]C[C@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1)c1cccc(C#N)c1O ZINC000926996458 932375368 /nfs/dbraw/zinc/37/53/68/932375368.db2.gz VFDQPKXNEZNDIY-RJTBDILESA-N 1 2 386.492 3.584 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2ccc(C)c(C#N)c2)[C@@H](C)C1 ZINC000799426048 932999835 /nfs/dbraw/zinc/99/98/35/932999835.db2.gz RWYXIEXUKNVDIZ-SFHVURJKSA-N 1 2 377.488 3.612 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2ccc(C)c(C#N)c2)[C@@H](C)C1 ZINC000799426048 932999840 /nfs/dbraw/zinc/99/98/40/932999840.db2.gz RWYXIEXUKNVDIZ-SFHVURJKSA-N 1 2 377.488 3.612 20 30 GHEDLO COc1cc2c(cc1F)C[N@H+](CC(=O)[C@H](C#N)c1nc3ccccc3s1)CC2 ZINC000777743863 933221083 /nfs/dbraw/zinc/22/10/83/933221083.db2.gz FJWDHYGQSCFKGH-HNNXBMFYSA-N 1 2 395.459 3.679 20 30 GHEDLO COc1cc2c(cc1F)C[N@@H+](CC(=O)[C@H](C#N)c1nc3ccccc3s1)CC2 ZINC000777743863 933221088 /nfs/dbraw/zinc/22/10/88/933221088.db2.gz FJWDHYGQSCFKGH-HNNXBMFYSA-N 1 2 395.459 3.679 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC001122529497 934890560 /nfs/dbraw/zinc/89/05/60/934890560.db2.gz DWTFLQLPVJKXBW-QZTJIDSGSA-N 1 2 395.507 3.691 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC001122529497 934890563 /nfs/dbraw/zinc/89/05/63/934890563.db2.gz DWTFLQLPVJKXBW-QZTJIDSGSA-N 1 2 395.507 3.691 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC[C@@H](C)O[C@@H](C)C1 ZINC001122540422 934894467 /nfs/dbraw/zinc/89/44/67/934894467.db2.gz UIZJLEZCNWNKJH-CEXWTWQISA-N 1 2 386.544 3.690 20 30 GHEDLO CSCC[C@H](C)N(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1CC(C)C ZINC001122832181 935003120 /nfs/dbraw/zinc/00/31/20/935003120.db2.gz ZIDNZVCPTDLTNP-KRWDZBQOSA-N 1 2 392.617 3.605 20 30 GHEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC=C(c3cccc(Br)c3)CC2)cc1 ZINC000545172486 1015612369 /nfs/dbraw/zinc/61/23/69/1015612369.db2.gz YJGPALVLFQYQJT-LJQANCHMSA-N 1 2 396.288 3.636 20 30 GHEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC=C(c3cccc(Br)c3)CC2)cc1 ZINC000545172486 1015612374 /nfs/dbraw/zinc/61/23/74/1015612374.db2.gz YJGPALVLFQYQJT-LJQANCHMSA-N 1 2 396.288 3.636 20 30 GHEDLO CC(C)CO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000468767354 1016013693 /nfs/dbraw/zinc/01/36/93/1016013693.db2.gz AXBNZEMDJORJDA-JKSUJKDBSA-N 1 2 389.565 3.963 20 30 GHEDLO CC(C)CO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000468767354 1016013705 /nfs/dbraw/zinc/01/37/05/1016013705.db2.gz AXBNZEMDJORJDA-JKSUJKDBSA-N 1 2 389.565 3.963 20 30 GHEDLO CC(C)[N@@H+]1CC[C@@H](Oc2c(Br)cc(C#N)cc2Br)C1 ZINC001227346368 1032383699 /nfs/dbraw/zinc/38/36/99/1032383699.db2.gz RUIGRGYGWOQOPS-LLVKDONJSA-N 1 2 388.103 3.945 20 30 GHEDLO CC(C)[N@H+]1CC[C@@H](Oc2c(Br)cc(C#N)cc2Br)C1 ZINC001227346368 1032383705 /nfs/dbraw/zinc/38/37/05/1032383705.db2.gz RUIGRGYGWOQOPS-LLVKDONJSA-N 1 2 388.103 3.945 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[NH+](Cc2cccc(Nc3cccnc3C#N)c2)CC1 ZINC001204315502 1032758567 /nfs/dbraw/zinc/75/85/67/1032758567.db2.gz AYBBJNPOHLUQOB-UHFFFAOYSA-N 1 2 393.491 3.750 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH+]2CCC(O)(C3CCC3)CC2)c1C#N ZINC000932817290 1018688417 /nfs/dbraw/zinc/68/84/17/1018688417.db2.gz KSEATKZUWPTJFQ-UHFFFAOYSA-N 1 2 398.551 3.657 20 30 GHEDLO CCOC(=O)C[C@@H](CC#N)Oc1cccc(C(=O)C[N@H+](C)Cc2ccccc2)c1 ZINC001228103747 1032783119 /nfs/dbraw/zinc/78/31/19/1032783119.db2.gz MUZUNJYQOMENOT-OAQYLSRUSA-N 1 2 394.471 3.616 20 30 GHEDLO CCOC(=O)C[C@@H](CC#N)Oc1cccc(C(=O)C[N@@H+](C)Cc2ccccc2)c1 ZINC001228103747 1032783131 /nfs/dbraw/zinc/78/31/31/1032783131.db2.gz MUZUNJYQOMENOT-OAQYLSRUSA-N 1 2 394.471 3.616 20 30 GHEDLO C[C@H](c1cnccn1)[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932941203 1018769361 /nfs/dbraw/zinc/76/93/61/1018769361.db2.gz BGWIBQZYPNYFFG-HLTSFMKQSA-N 1 2 375.263 3.640 20 30 GHEDLO C[C@H](c1cnccn1)[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932941203 1018769373 /nfs/dbraw/zinc/76/93/73/1018769373.db2.gz BGWIBQZYPNYFFG-HLTSFMKQSA-N 1 2 375.263 3.640 20 30 GHEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC001276464760 1032871684 /nfs/dbraw/zinc/87/16/84/1032871684.db2.gz MGGNZPUHBVGIOT-GOSISDBHSA-N 1 2 384.829 3.949 20 30 GHEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC001276464760 1032871669 /nfs/dbraw/zinc/87/16/69/1032871669.db2.gz MGGNZPUHBVGIOT-GOSISDBHSA-N 1 2 384.829 3.949 20 30 GHEDLO C=CCC[C@@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(Br)c1O ZINC000834905220 1021658995 /nfs/dbraw/zinc/65/89/95/1021658995.db2.gz UNOJIYMKKHPZKS-ONGXEEELSA-N 1 2 393.119 3.895 20 30 GHEDLO CN(c1ccccc1C=[NH+]Nc1ccc(C(=O)[O-])cc1F)C1CC[NH+](C)CC1 ZINC000835011069 1021768346 /nfs/dbraw/zinc/76/83/46/1021768346.db2.gz BAOKGNSZSHHEMG-UHFFFAOYSA-N 1 2 384.455 3.500 20 30 GHEDLO CC[C@@H](C#N)Oc1cc(CNc2nc(N(C)C)c3ccccc3[nH+]2)ccc1OC ZINC000827623914 1022300939 /nfs/dbraw/zinc/30/09/39/1022300939.db2.gz UHGPOYWRSWUYNJ-INIZCTEOSA-N 1 2 391.475 3.997 20 30 GHEDLO Cn1ncc2c1C[N@H+](Cc1cccc(C#N)c1Cl)C[C@H]2COc1cccnc1 ZINC001140812380 1022603767 /nfs/dbraw/zinc/60/37/67/1022603767.db2.gz XKWKAPRHBLEIOL-KRWDZBQOSA-N 1 2 393.878 3.519 20 30 GHEDLO Cn1ncc2c1C[N@@H+](Cc1cccc(C#N)c1Cl)C[C@H]2COc1cccnc1 ZINC001140812380 1022603772 /nfs/dbraw/zinc/60/37/72/1022603772.db2.gz XKWKAPRHBLEIOL-KRWDZBQOSA-N 1 2 393.878 3.519 20 30 GHEDLO CCc1nc([C@@H](C)[NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)cs1 ZINC000754790533 1022897764 /nfs/dbraw/zinc/89/77/64/1022897764.db2.gz FKEIDFPQUZIOLW-TZMCWYRMSA-N 1 2 377.473 3.593 20 30 GHEDLO CN(C)c1cc(COC(=O)c2occc2COc2cccc(C#N)c2)cc[nH+]1 ZINC000755894973 1023424979 /nfs/dbraw/zinc/42/49/79/1023424979.db2.gz XPYZILRSIKESSQ-UHFFFAOYSA-N 1 2 377.400 3.548 20 30 GHEDLO CC(C)(C)OC(=O)N1CCCC2(C[NH+](Cc3sc(N)c(C#N)c3Cl)C2)C1 ZINC001141107003 1023515794 /nfs/dbraw/zinc/51/57/94/1023515794.db2.gz MJMRKLCWDPOXNO-UHFFFAOYSA-N 1 2 396.944 3.688 20 30 GHEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC(F)(F)[C@]2(CCN(c3ccccn3)C2)C1 ZINC001141165904 1023995501 /nfs/dbraw/zinc/99/55/01/1023995501.db2.gz OXXAMYMMAHXQOD-HXUWFJFHSA-N 1 2 386.421 3.830 20 30 GHEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC(F)(F)[C@]2(CCN(c3ccccn3)C2)C1 ZINC001141165904 1023995506 /nfs/dbraw/zinc/99/55/06/1023995506.db2.gz OXXAMYMMAHXQOD-HXUWFJFHSA-N 1 2 386.421 3.830 20 30 GHEDLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C#N)ccc1F ZINC000830867353 1024202810 /nfs/dbraw/zinc/20/28/10/1024202810.db2.gz ILIJGASTYGRETI-KSFYIVLOSA-N 1 2 394.494 3.774 20 30 GHEDLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C#N)ccc1F ZINC000830867353 1024202826 /nfs/dbraw/zinc/20/28/26/1024202826.db2.gz ILIJGASTYGRETI-KSFYIVLOSA-N 1 2 394.494 3.774 20 30 GHEDLO N#Cc1cccc([C@@H](NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)C(F)(F)F)c1 ZINC000831095359 1024352113 /nfs/dbraw/zinc/35/21/13/1024352113.db2.gz CGMTXGXZIYCHII-GXTWGEPZSA-N 1 2 390.287 3.668 20 30 GHEDLO C=CCN1CC[C@]2(CCC[N@@H+](Cc3c(F)cc(Br)cc3F)C2)C1=O ZINC001141556819 1025525826 /nfs/dbraw/zinc/52/58/26/1025525826.db2.gz LWMBFUFMXJUWCY-SFHVURJKSA-N 1 2 399.279 3.728 20 30 GHEDLO C=CCN1CC[C@]2(CCC[N@H+](Cc3c(F)cc(Br)cc3F)C2)C1=O ZINC001141556819 1025525837 /nfs/dbraw/zinc/52/58/37/1025525837.db2.gz LWMBFUFMXJUWCY-SFHVURJKSA-N 1 2 399.279 3.728 20 30 GHEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1ccc(OC)c(OC)c1Cl)CCO2 ZINC001139115964 1025924815 /nfs/dbraw/zinc/92/48/15/1025924815.db2.gz KCDDXSDEMBLIQT-LAUBAEHRSA-N 1 2 395.927 3.931 20 30 GHEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1ccc(OC)c(OC)c1Cl)CCO2 ZINC001139115964 1025924820 /nfs/dbraw/zinc/92/48/20/1025924820.db2.gz KCDDXSDEMBLIQT-LAUBAEHRSA-N 1 2 395.927 3.931 20 30 GHEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3cc(F)cc(Br)c3)C2)CC1 ZINC001139172419 1025998233 /nfs/dbraw/zinc/99/82/33/1025998233.db2.gz NJARZIQXAXNYED-UHFFFAOYSA-N 1 2 397.288 3.809 20 30 GHEDLO CCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001139425964 1026296513 /nfs/dbraw/zinc/29/65/13/1026296513.db2.gz YTWTZDVZHSLLRP-HXUWFJFHSA-N 1 2 378.476 3.626 20 30 GHEDLO CCCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001139425964 1026296522 /nfs/dbraw/zinc/29/65/22/1026296522.db2.gz YTWTZDVZHSLLRP-HXUWFJFHSA-N 1 2 378.476 3.626 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)cc1F ZINC001139527566 1026385020 /nfs/dbraw/zinc/38/50/20/1026385020.db2.gz GFIGPLPOLGCDDZ-SIKLNZKXSA-N 1 2 381.451 3.542 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)cc1F ZINC001139527566 1026385029 /nfs/dbraw/zinc/38/50/29/1026385029.db2.gz GFIGPLPOLGCDDZ-SIKLNZKXSA-N 1 2 381.451 3.542 20 30 GHEDLO N#Cc1ccc(C2=CC[N@H+](CN3C(=O)C4(CCC4)[C@H]3c3cccnc3)CC2)cc1 ZINC000840040093 1027106503 /nfs/dbraw/zinc/10/65/03/1027106503.db2.gz XRYRQKPWRYJGDB-JOCHJYFZSA-N 1 2 384.483 3.754 20 30 GHEDLO N#Cc1ccc(C2=CC[N@@H+](CN3C(=O)C4(CCC4)[C@H]3c3cccnc3)CC2)cc1 ZINC000840040093 1027106511 /nfs/dbraw/zinc/10/65/11/1027106511.db2.gz XRYRQKPWRYJGDB-JOCHJYFZSA-N 1 2 384.483 3.754 20 30 GHEDLO CCOC(=O)C[C@@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)C[C@@H]1C ZINC001141818450 1027355388 /nfs/dbraw/zinc/35/53/88/1027355388.db2.gz CZVNTELVCJOLBG-KBPBESRZSA-N 1 2 379.298 3.732 20 30 GHEDLO CCOC(=O)C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)C[C@@H]1C ZINC001141818450 1027355404 /nfs/dbraw/zinc/35/54/04/1027355404.db2.gz CZVNTELVCJOLBG-KBPBESRZSA-N 1 2 379.298 3.732 20 30 GHEDLO COc1cc(OC)c(OC)cc1C[NH+]1CCC(C#N)(c2ccccc2F)CC1 ZINC001203501550 1027385975 /nfs/dbraw/zinc/38/59/75/1027385975.db2.gz IRFKAYLTIPSAQX-UHFFFAOYSA-N 1 2 384.451 3.909 20 30 GHEDLO COCCOc1cc(C#N)c(Nc2cccc3cc[nH+]cc32)cc1OCCOC ZINC001210232906 1027395671 /nfs/dbraw/zinc/39/56/71/1027395671.db2.gz XYQOEKDHCNFYNC-UHFFFAOYSA-N 1 2 393.443 3.900 20 30 GHEDLO CSc1nc(C[N@@H+]2CC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)ccc1C#N ZINC001141931673 1027690367 /nfs/dbraw/zinc/69/03/67/1027690367.db2.gz HZTZOUNDIPAUEE-HXUWFJFHSA-N 1 2 388.537 3.651 20 30 GHEDLO CSc1nc(C[N@H+]2CC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)ccc1C#N ZINC001141931673 1027690370 /nfs/dbraw/zinc/69/03/70/1027690370.db2.gz HZTZOUNDIPAUEE-HXUWFJFHSA-N 1 2 388.537 3.651 20 30 GHEDLO N#Cc1ccc(Nc2cncnc2[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1F ZINC001204028257 1027821950 /nfs/dbraw/zinc/82/19/50/1027821950.db2.gz KSIWQAIBCWOKCE-NRFANRHFSA-N 1 2 389.434 3.804 20 30 GHEDLO N#Cc1ccc(Nc2cncnc2[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1F ZINC001204028257 1027821965 /nfs/dbraw/zinc/82/19/65/1027821965.db2.gz KSIWQAIBCWOKCE-NRFANRHFSA-N 1 2 389.434 3.804 20 30 GHEDLO N#Cc1ccc(Nc2ccc(OCC[NH+]3CCOCC3)cc2F)c2cccnc12 ZINC001213489524 1028223089 /nfs/dbraw/zinc/22/30/89/1028223089.db2.gz QCZHXTIJAKDIOE-UHFFFAOYSA-N 1 2 392.434 3.700 20 30 GHEDLO N#Cc1cc(F)ccc1NC(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC001215565365 1029285755 /nfs/dbraw/zinc/28/57/55/1029285755.db2.gz PUMOWYVFZSRJGS-UHFFFAOYSA-N 1 2 389.434 3.921 20 30 GHEDLO C=CCn1c2nn(C[N@H+](C)CCC(C)(C)C)c(=S)n2c2ccccc2c1=O ZINC000842631251 1029436745 /nfs/dbraw/zinc/43/67/45/1029436745.db2.gz LOZMYWQEQGFKJH-UHFFFAOYSA-N 1 2 385.537 3.692 20 30 GHEDLO C=CCn1c2nn(C[N@@H+](C)CCC(C)(C)C)c(=S)n2c2ccccc2c1=O ZINC000842631251 1029436756 /nfs/dbraw/zinc/43/67/56/1029436756.db2.gz LOZMYWQEQGFKJH-UHFFFAOYSA-N 1 2 385.537 3.692 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@H+](Cc3c(Cl)ncnc3Cl)CC2)C1=O ZINC001276742924 1029685539 /nfs/dbraw/zinc/68/55/39/1029685539.db2.gz LIFFGEQCSRUILP-GOSISDBHSA-N 1 2 383.323 3.564 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+](Cc3c(Cl)ncnc3Cl)CC2)C1=O ZINC001276742924 1029685543 /nfs/dbraw/zinc/68/55/43/1029685543.db2.gz LIFFGEQCSRUILP-GOSISDBHSA-N 1 2 383.323 3.564 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@]12CC[N@H+](Cc1c(F)ccc(C#N)c1F)C2 ZINC001143164177 1029876693 /nfs/dbraw/zinc/87/66/93/1029876693.db2.gz BCEITDRNQSWGKS-HXUWFJFHSA-N 1 2 377.435 3.812 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@]12CC[N@@H+](Cc1c(F)ccc(C#N)c1F)C2 ZINC001143164177 1029876700 /nfs/dbraw/zinc/87/67/00/1029876700.db2.gz BCEITDRNQSWGKS-HXUWFJFHSA-N 1 2 377.435 3.812 20 30 GHEDLO Cc1ccc(N2C[C@]3(CC[N@H+](Cc4c(F)ccc(C#N)c4F)C3)CC2=O)s1 ZINC001143170818 1029881152 /nfs/dbraw/zinc/88/11/52/1029881152.db2.gz KFAZPFJDUJBTNP-HXUWFJFHSA-N 1 2 387.455 3.835 20 30 GHEDLO Cc1ccc(N2C[C@]3(CC[N@@H+](Cc4c(F)ccc(C#N)c4F)C3)CC2=O)s1 ZINC001143170818 1029881156 /nfs/dbraw/zinc/88/11/56/1029881156.db2.gz KFAZPFJDUJBTNP-HXUWFJFHSA-N 1 2 387.455 3.835 20 30 GHEDLO C=CCOc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccc(Cl)cc3)C2)cc1OC ZINC001149523113 1030206287 /nfs/dbraw/zinc/20/62/87/1030206287.db2.gz HBCKAMXOZJBBPP-GOSISDBHSA-N 1 2 386.879 3.700 20 30 GHEDLO COc1ccc(OC)c(/C(=N/O)O[C@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC001223891099 1030794195 /nfs/dbraw/zinc/79/41/95/1030794195.db2.gz DFHPUKZJRPRUBQ-WXVFVKJXSA-N 1 2 390.867 3.784 20 30 GHEDLO COc1ccc(OC)c(/C(=N/O)O[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC001223891099 1030794199 /nfs/dbraw/zinc/79/41/99/1030794199.db2.gz DFHPUKZJRPRUBQ-WXVFVKJXSA-N 1 2 390.867 3.784 20 30 GHEDLO C=CC[NH+]1CCN(C(=O)c2cc3cc(OCc4ccccc4)ccc3[nH]2)CC1 ZINC001152347700 1031200996 /nfs/dbraw/zinc/20/09/96/1031200996.db2.gz HFBPBNKKFBIPBT-UHFFFAOYSA-N 1 2 375.472 3.691 20 30 GHEDLO N#Cc1cccc(C[NH2+]Cc2cc(Br)ccc2Br)n1 ZINC001205450733 1033419505 /nfs/dbraw/zinc/41/95/05/1033419505.db2.gz RNGATJKJDPTEAJ-UHFFFAOYSA-N 1 2 381.071 3.768 20 30 GHEDLO COc1cc(/C=C/C(=O)c2ccccc2O)ccc1O[C@@H]1CCc2[nH+]ccn2C1 ZINC001229411519 1033466860 /nfs/dbraw/zinc/46/68/60/1033466860.db2.gz QZVIDBNUXPZZAN-RCMYXZNBSA-N 1 2 390.439 3.887 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+](Cc3cc(Cl)cc(F)c3O)CC2)C1=O ZINC001277388362 1033488678 /nfs/dbraw/zinc/48/86/78/1033488678.db2.gz VHKVWOZAFUYPOD-FQEVSTJZSA-N 1 2 380.891 3.965 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+](Cc3cc(Cl)cc(F)c3O)CC2)C1=O ZINC001277388362 1033488685 /nfs/dbraw/zinc/48/86/85/1033488685.db2.gz VHKVWOZAFUYPOD-FQEVSTJZSA-N 1 2 380.891 3.965 20 30 GHEDLO CCOC(=O)[C@@H]1CCC[C@@H]1Oc1nc(C)c(-c2ccc3[nH+]ccn3c2)cc1C#N ZINC001229765600 1033696766 /nfs/dbraw/zinc/69/67/66/1033696766.db2.gz FKMFBVXQJKRVIK-MJGOQNOKSA-N 1 2 390.443 3.687 20 30 GHEDLO Cc1cn2c(n1)[C@@H](Oc1nc(C)c(-c3ccc4[nH+]ccn4c3)cc1C#N)CCC2 ZINC001229769922 1033701177 /nfs/dbraw/zinc/70/11/77/1033701177.db2.gz VBZSMQZMOOXFJW-IBGZPJMESA-N 1 2 384.443 3.995 20 30 GHEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc4cccc(OCc5ccccc5)c4n3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001230075651 1033885794 /nfs/dbraw/zinc/88/57/94/1033885794.db2.gz HOLIPPKOMHKCHO-WWJWSBBCSA-N 1 2 388.467 3.805 20 30 GHEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc4cccc(OCc5ccccc5)c4n3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001230075651 1033885812 /nfs/dbraw/zinc/88/58/12/1033885812.db2.gz HOLIPPKOMHKCHO-WWJWSBBCSA-N 1 2 388.467 3.805 20 30 GHEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3cc(-c4ccc(OC)cc4)on3)C2)CC1 ZINC001206824029 1034002682 /nfs/dbraw/zinc/00/26/82/1034002682.db2.gz YNXMFMZEQBFGSS-UHFFFAOYSA-N 1 2 397.475 3.571 20 30 GHEDLO COC(=O)c1cc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)n2c1CCCC2 ZINC001461884261 1069834501 /nfs/dbraw/zinc/83/45/01/1069834501.db2.gz RXKRYDZVPFLUMO-NHCUHLMSSA-N 1 2 377.488 3.883 20 30 GHEDLO COC(=O)c1cc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)n2c1CCCC2 ZINC001461884261 1069834522 /nfs/dbraw/zinc/83/45/22/1069834522.db2.gz RXKRYDZVPFLUMO-NHCUHLMSSA-N 1 2 377.488 3.883 20 30 GHEDLO N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)c1 ZINC001158851449 1034302530 /nfs/dbraw/zinc/30/25/30/1034302530.db2.gz HPETUZLXSZNBMK-MRXNPFEDSA-N 1 2 378.819 3.555 20 30 GHEDLO C=CC(C)(C)CCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC001231273747 1034497981 /nfs/dbraw/zinc/49/79/81/1034497981.db2.gz VCRXDEGXTFUJFE-MSOLQXFVSA-N 1 2 379.932 3.613 20 30 GHEDLO C=CC(C)(C)CCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC001231273747 1034497991 /nfs/dbraw/zinc/49/79/91/1034497991.db2.gz VCRXDEGXTFUJFE-MSOLQXFVSA-N 1 2 379.932 3.613 20 30 GHEDLO CC(=O)CCN(CCNc1cc(CC#N)cc[nH+]1)c1nc2cc(Cl)ccc2o1 ZINC001159693484 1034715308 /nfs/dbraw/zinc/71/53/08/1034715308.db2.gz WPAHLLCWOKZQMH-UHFFFAOYSA-N 1 2 397.866 3.840 20 30 GHEDLO CNc1ccc(Nc2cc(Cl)c(C#N)cc2I)c[nH+]1 ZINC001159845144 1034760573 /nfs/dbraw/zinc/76/05/73/1034760573.db2.gz BMUNNBGXVOXUBC-UHFFFAOYSA-N 1 2 384.608 3.997 20 30 GHEDLO N#CC[C@H]1CCC[N@@H+](CCc2c(Br)ccnc2Br)C1 ZINC001208805579 1035030652 /nfs/dbraw/zinc/03/06/52/1035030652.db2.gz FFTFHJNYORIUMD-LLVKDONJSA-N 1 2 387.119 3.775 20 30 GHEDLO N#CC[C@H]1CCC[N@H+](CCc2c(Br)ccnc2Br)C1 ZINC001208805579 1035030662 /nfs/dbraw/zinc/03/06/62/1035030662.db2.gz FFTFHJNYORIUMD-LLVKDONJSA-N 1 2 387.119 3.775 20 30 GHEDLO N#Cc1ccc(-c2ccncc2)nc1NC1CC[NH+](CC(=O)c2ccccc2)CC1 ZINC001161146415 1035158648 /nfs/dbraw/zinc/15/86/48/1035158648.db2.gz ASJGRONWVNHNGC-UHFFFAOYSA-N 1 2 397.482 3.774 20 30 GHEDLO C=CCCCC[N@@H+]1CCc2c(nnn2CC2CC2)[C@@H]1COCc1cccnc1 ZINC001209202552 1035207393 /nfs/dbraw/zinc/20/73/93/1035207393.db2.gz FCBYITAGGCQVQF-NRFANRHFSA-N 1 2 381.524 3.555 20 30 GHEDLO C=CCCCC[N@H+]1CCc2c(nnn2CC2CC2)[C@@H]1COCc1cccnc1 ZINC001209202552 1035207398 /nfs/dbraw/zinc/20/73/98/1035207398.db2.gz FCBYITAGGCQVQF-NRFANRHFSA-N 1 2 381.524 3.555 20 30 GHEDLO COC(=O)c1cccc2n[nH]c(C[NH+]3CCC(C#N)(c4ccccc4F)CC3)c21 ZINC001232443124 1038224336 /nfs/dbraw/zinc/22/43/36/1038224336.db2.gz OIRLWSXXXPMBTQ-UHFFFAOYSA-N 1 2 392.434 3.546 20 30 GHEDLO N#Cc1cc(Cl)ccc1CN1CC[C@@H]([NH+]2CCOCC2)[C@@H]1Cc1ccccc1 ZINC001232608033 1038393542 /nfs/dbraw/zinc/39/35/42/1038393542.db2.gz UABKFJQIGCLVGO-PKTZIBPZSA-N 1 2 395.934 3.729 20 30 GHEDLO N#Cc1ccc(O)c(C[NH+]2CCC3(CC2)c2ccccc2N(CC2CC2)C3=O)c1 ZINC001232676867 1038472005 /nfs/dbraw/zinc/47/20/05/1038472005.db2.gz FAOOXOOYKNMGJG-UHFFFAOYSA-N 1 2 387.483 3.554 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+](Cc1cc(C#N)ccc1O)CC2 ZINC001232674962 1038472248 /nfs/dbraw/zinc/47/22/48/1038472248.db2.gz IEUUGVOFBZRRAD-UHFFFAOYSA-N 1 2 385.508 3.877 20 30 GHEDLO N#Cc1ccc(F)cc1CN1CC[N@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC001232892749 1038684108 /nfs/dbraw/zinc/68/41/08/1038684108.db2.gz VZWPMPSXBMCJPF-LJQANCHMSA-N 1 2 377.385 3.946 20 30 GHEDLO N#Cc1ccc(F)cc1CN1CC[N@@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC001232892749 1038684112 /nfs/dbraw/zinc/68/41/12/1038684112.db2.gz VZWPMPSXBMCJPF-LJQANCHMSA-N 1 2 377.385 3.946 20 30 GHEDLO Cc1cc(C#N)ccc1C[N@H+]1Cc2ncn(CC3CC3)c2[C@@H](COCC2CC2)C1 ZINC001233080364 1038847103 /nfs/dbraw/zinc/84/71/03/1038847103.db2.gz WZWGTGSLHYMVJR-JOCHJYFZSA-N 1 2 390.531 3.999 20 30 GHEDLO Cc1cc(C#N)ccc1C[N@@H+]1Cc2ncn(CC3CC3)c2[C@@H](COCC2CC2)C1 ZINC001233080364 1038847126 /nfs/dbraw/zinc/84/71/26/1038847126.db2.gz WZWGTGSLHYMVJR-JOCHJYFZSA-N 1 2 390.531 3.999 20 30 GHEDLO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1nc(C)sc1Br)CC2 ZINC001233152603 1038927944 /nfs/dbraw/zinc/92/79/44/1038927944.db2.gz FRECKETVQIUKSY-QGZVFWFLSA-N 1 2 398.370 3.747 20 30 GHEDLO C=CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1nc(C)sc1Br)CC2 ZINC001233152603 1038927948 /nfs/dbraw/zinc/92/79/48/1038927948.db2.gz FRECKETVQIUKSY-QGZVFWFLSA-N 1 2 398.370 3.747 20 30 GHEDLO C=CC[C@H]1CCCC[C@@H]1NC(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001252971242 1039304748 /nfs/dbraw/zinc/30/47/48/1039304748.db2.gz PGWCBMFAOMRHFI-FPOVZHCZSA-N 1 2 385.552 3.966 20 30 GHEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001252971244 1039305329 /nfs/dbraw/zinc/30/53/29/1039305329.db2.gz PGWCBMFAOMRHFI-TZIWHRDSSA-N 1 2 385.552 3.966 20 30 GHEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1C[C@H](O)CCCCCCCCCC ZINC001252980830 1039308686 /nfs/dbraw/zinc/30/86/86/1039308686.db2.gz ZOYKSEIOEUIGBR-CTNGQTDRSA-N 1 2 392.588 3.809 20 30 GHEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1C[C@H](O)CCCCCCCCCC ZINC001252980830 1039308706 /nfs/dbraw/zinc/30/87/06/1039308706.db2.gz ZOYKSEIOEUIGBR-CTNGQTDRSA-N 1 2 392.588 3.809 20 30 GHEDLO CC(C)(C)OC(=O)N1CC2(C1)C[C@H]([N@H+](CCC#N)Cc1ccccc1)CS2 ZINC001254697925 1040457511 /nfs/dbraw/zinc/45/75/11/1040457511.db2.gz LDALQLUXUKXDLO-SFHVURJKSA-N 1 2 387.549 3.897 20 30 GHEDLO CC(C)(C)OC(=O)N1CC2(C1)C[C@H]([N@@H+](CCC#N)Cc1ccccc1)CS2 ZINC001254697925 1040457520 /nfs/dbraw/zinc/45/75/20/1040457520.db2.gz LDALQLUXUKXDLO-SFHVURJKSA-N 1 2 387.549 3.897 20 30 GHEDLO C=C[C@@H]1C[C@]1([NH2+]C1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1)C(=O)OCC ZINC001254874006 1040618865 /nfs/dbraw/zinc/61/88/65/1040618865.db2.gz WGAHSTXYBIBGCX-OYQAGNLASA-N 1 2 392.540 3.654 20 30 GHEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(C(F)(F)F)nc1Cl ZINC001277927667 1040643685 /nfs/dbraw/zinc/64/36/85/1040643685.db2.gz LCEJLUNUQNTVSU-KRWDZBQOSA-N 1 2 387.833 3.897 20 30 GHEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(C(F)(F)F)nc1Cl ZINC001277927667 1040643701 /nfs/dbraw/zinc/64/37/01/1040643701.db2.gz LCEJLUNUQNTVSU-KRWDZBQOSA-N 1 2 387.833 3.897 20 30 GHEDLO COc1cc(C[NH+]2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)c(F)cn1 ZINC001235324865 1040795124 /nfs/dbraw/zinc/79/51/24/1040795124.db2.gz WLDMHEOTWHZORR-UHFFFAOYSA-N 1 2 375.831 3.798 20 30 GHEDLO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cc(F)c(F)c(F)c3F)C2)C1 ZINC001235343234 1040812521 /nfs/dbraw/zinc/81/25/21/1040812521.db2.gz URCBTGNHWSVQQB-IBGZPJMESA-N 1 2 386.389 3.854 20 30 GHEDLO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](Cc3cc(F)c(F)c(F)c3F)C2)C1 ZINC001235343234 1040812538 /nfs/dbraw/zinc/81/25/38/1040812538.db2.gz URCBTGNHWSVQQB-IBGZPJMESA-N 1 2 386.389 3.854 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+]2Cc2c(F)cc(C#N)cc2F)CC1 ZINC001235651814 1041096925 /nfs/dbraw/zinc/09/69/25/1041096925.db2.gz PMQGHPPENMOLPF-UHFFFAOYSA-N 1 2 377.435 3.812 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC2(CC[N@H+]2Cc2c(F)cc(C#N)cc2F)CC1 ZINC001235651814 1041096948 /nfs/dbraw/zinc/09/69/48/1041096948.db2.gz PMQGHPPENMOLPF-UHFFFAOYSA-N 1 2 377.435 3.812 20 30 GHEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2ccc(-c3ccc(F)cc3F)nc2)CC1 ZINC001237014828 1041991383 /nfs/dbraw/zinc/99/13/83/1041991383.db2.gz WDAXLOAINOLJEP-UHFFFAOYSA-N 1 2 385.414 3.696 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(C(F)F)c(OC)c1 ZINC001237274339 1042118738 /nfs/dbraw/zinc/11/87/38/1042118738.db2.gz PNTCVSZHTPTEJT-QGZVFWFLSA-N 1 2 377.435 3.668 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(C(F)F)c(OC)c1 ZINC001237274339 1042118739 /nfs/dbraw/zinc/11/87/39/1042118739.db2.gz PNTCVSZHTPTEJT-QGZVFWFLSA-N 1 2 377.435 3.668 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccnc(C#N)c2)[C@@H](Cc2ccccc2)C1 ZINC001237465447 1042219745 /nfs/dbraw/zinc/21/97/45/1042219745.db2.gz AWACAQXIWRDDMH-NRFANRHFSA-N 1 2 392.503 3.617 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2ccnc(C#N)c2)[C@@H](Cc2ccccc2)C1 ZINC001237465447 1042219747 /nfs/dbraw/zinc/21/97/47/1042219747.db2.gz AWACAQXIWRDDMH-NRFANRHFSA-N 1 2 392.503 3.617 20 30 GHEDLO Cn1cc(C[N@@H+]2CCc3onc(COc4cccnc4)c3C2)c2cc(C#N)ccc21 ZINC001237468602 1042221368 /nfs/dbraw/zinc/22/13/68/1042221368.db2.gz MFLOAHYVWQOBJT-UHFFFAOYSA-N 1 2 399.454 3.570 20 30 GHEDLO Cn1cc(C[N@H+]2CCc3onc(COc4cccnc4)c3C2)c2cc(C#N)ccc21 ZINC001237468602 1042221372 /nfs/dbraw/zinc/22/13/72/1042221372.db2.gz MFLOAHYVWQOBJT-UHFFFAOYSA-N 1 2 399.454 3.570 20 30 GHEDLO N#Cc1ccc2nc(C[NH+]3CCC(C(=O)c4cnc5ccccc5c4)CC3)cn2c1 ZINC001237608417 1042279880 /nfs/dbraw/zinc/27/98/80/1042279880.db2.gz GBTHNXHVVJIBIA-UHFFFAOYSA-N 1 2 395.466 3.849 20 30 GHEDLO N#CC[C@@H]1CCC[N@@H+](Cc2cc3cncc(I)c3o2)C1 ZINC001238258213 1042535086 /nfs/dbraw/zinc/53/50/86/1042535086.db2.gz CHJORIVUKIKHDW-NSHDSACASA-N 1 2 381.217 3.558 20 30 GHEDLO N#CC[C@@H]1CCC[N@H+](Cc2cc3cncc(I)c3o2)C1 ZINC001238258213 1042535087 /nfs/dbraw/zinc/53/50/87/1042535087.db2.gz CHJORIVUKIKHDW-NSHDSACASA-N 1 2 381.217 3.558 20 30 GHEDLO CCCCCCCCCOC(=O)Nc1c2c(nn1OC(=O)CC)C(C)(C)[NH2+]C2 ZINC001239312462 1042807292 /nfs/dbraw/zinc/80/72/92/1042807292.db2.gz HIXNRRUBZJUUNB-UHFFFAOYSA-N 1 2 394.516 3.886 20 30 GHEDLO Cc1cncc(COCc2cnc3n2CC[N@H+](C2CCC(C#N)CC2)[C@H]3C)c1 ZINC001256967845 1043776857 /nfs/dbraw/zinc/77/68/57/1043776857.db2.gz KOUYOXQUJLHFTQ-ZJRDLVKKSA-N 1 2 379.508 3.762 20 30 GHEDLO Cc1cncc(COCc2cnc3n2CC[N@@H+](C2CCC(C#N)CC2)[C@H]3C)c1 ZINC001256967845 1043776866 /nfs/dbraw/zinc/77/68/66/1043776866.db2.gz KOUYOXQUJLHFTQ-ZJRDLVKKSA-N 1 2 379.508 3.762 20 30 GHEDLO C=C[C@H]1C[C@]1([NH2+]C1CCC(C2CCC3(CC2)OCCO3)CC1)C(=O)OCC ZINC001257489550 1044016353 /nfs/dbraw/zinc/01/63/53/1044016353.db2.gz SNZZFFBSYKOFIZ-REMCXBOUSA-N 1 2 377.525 3.576 20 30 GHEDLO C=C1CCN(c2nnc(Cc3ccccc3F)n2Cc2c[nH+]ccc2OC)CC1 ZINC001301087426 1046331601 /nfs/dbraw/zinc/33/16/01/1046331601.db2.gz GVQODCHIEVRNCD-UHFFFAOYSA-N 1 2 393.466 3.616 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 ZINC001262977913 1046462405 /nfs/dbraw/zinc/46/24/05/1046462405.db2.gz RKFUXRKFQYZYGN-CEWLAPEOSA-N 1 2 395.551 3.662 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 ZINC001262977913 1046462409 /nfs/dbraw/zinc/46/24/09/1046462409.db2.gz RKFUXRKFQYZYGN-CEWLAPEOSA-N 1 2 395.551 3.662 20 30 GHEDLO C[N@@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@H](CC#N)C2)n1CCc1ccccc1 ZINC001263184944 1046625652 /nfs/dbraw/zinc/62/56/52/1046625652.db2.gz KFXJDPLKTIFZNI-NHCUHLMSSA-N 1 2 392.551 3.808 20 30 GHEDLO C[N@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@H](CC#N)C2)n1CCc1ccccc1 ZINC001263184944 1046625661 /nfs/dbraw/zinc/62/56/61/1046625661.db2.gz KFXJDPLKTIFZNI-NHCUHLMSSA-N 1 2 392.551 3.808 20 30 GHEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@@H]2CCC[C@H]21 ZINC001263302170 1046700280 /nfs/dbraw/zinc/70/02/80/1046700280.db2.gz IRURJYQHDWNYBA-AZUAARDMSA-N 1 2 382.556 3.716 20 30 GHEDLO C=C(C)Cn1c(CCCCC#N)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001263306083 1046703363 /nfs/dbraw/zinc/70/33/63/1046703363.db2.gz PIPQFVOJVBYRFX-UHFFFAOYSA-N 1 2 379.512 3.566 20 30 GHEDLO COc1cccc([C@@H]2CN(C(=O)c3ccc(C#Cc4ccccc4)cc3)CC[NH2+]2)c1 ZINC001302003848 1046780734 /nfs/dbraw/zinc/78/07/34/1046780734.db2.gz WQNCZXJCDXVIET-VWLOTQADSA-N 1 2 396.490 3.882 20 30 GHEDLO CC(C)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001302561165 1046977300 /nfs/dbraw/zinc/97/73/00/1046977300.db2.gz FVSCEEDMLRMKKD-SFHVURJKSA-N 1 2 395.555 3.964 20 30 GHEDLO C#C[C@H](C)N(C)c1nnc(CC2CCCC2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001286306130 1048267614 /nfs/dbraw/zinc/26/76/14/1048267614.db2.gz YICNGTQQSQVUNP-PKOBYXMFSA-N 1 2 380.540 3.551 20 30 GHEDLO C[C@@H](C#N)CN(C)c1nnc(C(C)(C)C)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001286959625 1048554208 /nfs/dbraw/zinc/55/42/08/1048554208.db2.gz HKBPTMIPYVRRGZ-KRWDZBQOSA-N 1 2 395.555 3.605 20 30 GHEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC001307807475 1049605995 /nfs/dbraw/zinc/60/59/95/1049605995.db2.gz RBOOOAUYXRTORE-HNAYVOBHSA-N 1 2 383.879 3.954 20 30 GHEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC001307807475 1049606002 /nfs/dbraw/zinc/60/60/02/1049606002.db2.gz RBOOOAUYXRTORE-HNAYVOBHSA-N 1 2 383.879 3.954 20 30 GHEDLO Cc1cn2c([nH+]1)[C@@H](Cn1c(-c3ccccc3)nnc1N(C)[C@@H](C)CC#N)CCC2 ZINC001290288096 1049791389 /nfs/dbraw/zinc/79/13/89/1049791389.db2.gz WQQOLXBNSWNINK-PKOBYXMFSA-N 1 2 389.507 3.766 20 30 GHEDLO C#C[C@H](NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccc(Cl)cc1F ZINC001330715347 1051081557 /nfs/dbraw/zinc/08/15/57/1051081557.db2.gz MHBZLEDNZWGWML-KSSFIOAISA-N 1 2 388.874 3.551 20 30 GHEDLO Cc1nc(N2CCCCC2)sc1C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC001334243506 1051923136 /nfs/dbraw/zinc/92/31/36/1051923136.db2.gz NZEUAXZZKQOKRD-FQEVSTJZSA-N 1 2 395.576 3.824 20 30 GHEDLO N#Cc1cccc2c1CN(C(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1)C2 ZINC001313247458 1052995985 /nfs/dbraw/zinc/99/59/85/1052995985.db2.gz NXBLMJPDYOTIIL-UHFFFAOYSA-N 1 2 397.482 3.685 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCO[C@H](c2cccc(F)c2)C1 ZINC001342977178 1053473923 /nfs/dbraw/zinc/47/39/23/1053473923.db2.gz CNELXKUUZFQEOX-UXHICEINSA-N 1 2 399.514 3.728 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCO[C@H](c2cccc(F)c2)C1 ZINC001342977178 1053473925 /nfs/dbraw/zinc/47/39/25/1053473925.db2.gz CNELXKUUZFQEOX-UXHICEINSA-N 1 2 399.514 3.728 20 30 GHEDLO C=CC1CCN(c2nnc([C@H]3C[N@H+](C(C)C)CCO3)n2Cc2ccccc2)CC1 ZINC001343686599 1053972361 /nfs/dbraw/zinc/97/23/61/1053972361.db2.gz PLOOSJQYYRXANU-OAQYLSRUSA-N 1 2 395.551 3.511 20 30 GHEDLO C=CC1CCN(c2nnc([C@H]3C[N@@H+](C(C)C)CCO3)n2Cc2ccccc2)CC1 ZINC001343686599 1053972364 /nfs/dbraw/zinc/97/23/64/1053972364.db2.gz PLOOSJQYYRXANU-OAQYLSRUSA-N 1 2 395.551 3.511 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCO[C@H](c2ccccc2F)C1 ZINC001343928599 1054124031 /nfs/dbraw/zinc/12/40/31/1054124031.db2.gz QWMWVWAQONSWDS-PMACEKPBSA-N 1 2 399.514 3.728 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCO[C@H](c2ccccc2F)C1 ZINC001343928599 1054124036 /nfs/dbraw/zinc/12/40/36/1054124036.db2.gz QWMWVWAQONSWDS-PMACEKPBSA-N 1 2 399.514 3.728 20 30 GHEDLO C=CCO[C@@H]1CC[N@@H+](CC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)C1 ZINC001320155667 1055679300 /nfs/dbraw/zinc/67/93/00/1055679300.db2.gz AZHHISWZGAXRGI-QGZVFWFLSA-N 1 2 385.533 3.951 20 30 GHEDLO C=CCO[C@@H]1CC[N@H+](CC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)C1 ZINC001320155667 1055679305 /nfs/dbraw/zinc/67/93/05/1055679305.db2.gz AZHHISWZGAXRGI-QGZVFWFLSA-N 1 2 385.533 3.951 20 30 GHEDLO C#CCN(CC)c1nnc([C@@H](C)CC)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001300597506 1056596295 /nfs/dbraw/zinc/59/62/95/1056596295.db2.gz KLNFNFIYFCQUMI-SFHVURJKSA-N 1 2 376.508 3.544 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2[C@H]2C[C@H](c3ccccc3F)C2)CC1 ZINC001300683115 1056861802 /nfs/dbraw/zinc/86/18/02/1056861802.db2.gz LNDYIAZQZSNDGB-GUDVDZBRSA-N 1 2 395.526 3.805 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3cc4ccccc4o3)n2CCCCC)CC1 ZINC001300689127 1056879302 /nfs/dbraw/zinc/87/93/02/1056879302.db2.gz PNOUQXOYJAYAKU-UHFFFAOYSA-N 1 2 377.492 3.637 20 30 GHEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848475538 1057113894 /nfs/dbraw/zinc/11/38/94/1057113894.db2.gz RHZUPMJXPGRVLM-NRFANRHFSA-N 1 2 395.459 3.565 20 30 GHEDLO C=CC[N@H+](Cc1ccc(OC)cc1)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848475538 1057113896 /nfs/dbraw/zinc/11/38/96/1057113896.db2.gz RHZUPMJXPGRVLM-NRFANRHFSA-N 1 2 395.459 3.565 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC(CCCO)CC1 ZINC001356074058 1057378802 /nfs/dbraw/zinc/37/88/02/1057378802.db2.gz FBSBSPWTIQHHBA-IBGZPJMESA-N 1 2 397.567 3.646 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC(CCCO)CC1 ZINC001356074058 1057378806 /nfs/dbraw/zinc/37/88/06/1057378806.db2.gz FBSBSPWTIQHHBA-IBGZPJMESA-N 1 2 397.567 3.646 20 30 GHEDLO C=C(C)c1cccc(NC(=O)C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)c1 ZINC001337943754 1058339225 /nfs/dbraw/zinc/33/92/25/1058339225.db2.gz XBJXPKUEFYIQEG-KRWDZBQOSA-N 1 2 393.487 3.690 20 30 GHEDLO Cn1c([C@H]2CCCC[N@@H+]2Cc2ccccc2)nnc1N1CCC(CC#N)CC1 ZINC001338394277 1058545921 /nfs/dbraw/zinc/54/59/21/1058545921.db2.gz ISXKEITYGXXUEC-HXUWFJFHSA-N 1 2 378.524 3.672 20 30 GHEDLO Cn1c([C@H]2CCCC[N@H+]2Cc2ccccc2)nnc1N1CCC(CC#N)CC1 ZINC001338394277 1058545942 /nfs/dbraw/zinc/54/59/42/1058545942.db2.gz ISXKEITYGXXUEC-HXUWFJFHSA-N 1 2 378.524 3.672 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC[C@H](c2nccs2)C1 ZINC001339021391 1058927305 /nfs/dbraw/zinc/92/73/05/1058927305.db2.gz BVKDFRBJKZMGKQ-DLBZAZTESA-N 1 2 397.552 3.747 20 30 GHEDLO Cc1cc(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)ccc1-n1cc[nH+]c1 ZINC001443315287 1059105939 /nfs/dbraw/zinc/10/59/39/1059105939.db2.gz ZCBKHPJUJKPYJV-KRWDZBQOSA-N 1 2 389.434 3.657 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(Cc1ccccc1)C(C)C ZINC001339368661 1059149320 /nfs/dbraw/zinc/14/93/20/1059149320.db2.gz SYHDLZOTTYRRHR-UHFFFAOYSA-N 1 2 380.540 3.806 20 30 GHEDLO CCS[C@H]1CCCCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CC)C1 ZINC001339368907 1059149376 /nfs/dbraw/zinc/14/93/76/1059149376.db2.gz VOYRYFXZDQBRQH-SFHVURJKSA-N 1 2 390.601 3.503 20 30 GHEDLO C#CC[N@H+]1CCCN(C(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)CC1 ZINC001444337592 1059311865 /nfs/dbraw/zinc/31/18/65/1059311865.db2.gz JMGIYIUQMCUBGP-UHFFFAOYSA-N 1 2 390.455 3.798 20 30 GHEDLO C#CC[N@@H+]1CCCN(C(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)CC1 ZINC001444337592 1059311882 /nfs/dbraw/zinc/31/18/82/1059311882.db2.gz JMGIYIUQMCUBGP-UHFFFAOYSA-N 1 2 390.455 3.798 20 30 GHEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@@]2(CC2(F)F)C1 ZINC001339775815 1059460686 /nfs/dbraw/zinc/46/06/86/1059460686.db2.gz ZVMLOKMDEFRVGL-OXQOHEQNSA-N 1 2 387.478 3.893 20 30 GHEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@@]2(CC2(F)F)C1 ZINC001339775815 1059460703 /nfs/dbraw/zinc/46/07/03/1059460703.db2.gz ZVMLOKMDEFRVGL-OXQOHEQNSA-N 1 2 387.478 3.893 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC[C@H](OC2CCC2)C1 ZINC001340515604 1059959164 /nfs/dbraw/zinc/95/91/64/1059959164.db2.gz DCXDVXHHQDSMBX-VQTJNVASSA-N 1 2 398.555 3.834 20 30 GHEDLO CC[N@H+](CC(=O)N[C@]1(C#N)CCc2ccccc2C1)Cc1ccccc1Cl ZINC001447865225 1060053325 /nfs/dbraw/zinc/05/33/25/1060053325.db2.gz JSNKDOODGNBKLK-JOCHJYFZSA-N 1 2 381.907 3.729 20 30 GHEDLO CC[N@@H+](CC(=O)N[C@]1(C#N)CCc2ccccc2C1)Cc1ccccc1Cl ZINC001447865225 1060053345 /nfs/dbraw/zinc/05/33/45/1060053345.db2.gz JSNKDOODGNBKLK-JOCHJYFZSA-N 1 2 381.907 3.729 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@H]1c1cccc(C)c1C ZINC001340733976 1060083027 /nfs/dbraw/zinc/08/30/27/1060083027.db2.gz WXKSHKMZTMSWNJ-IBGZPJMESA-N 1 2 376.508 3.747 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCc2c(Cl)cccc2C1 ZINC001340911766 1060242041 /nfs/dbraw/zinc/24/20/41/1060242041.db2.gz SKZSBNUJKOXZBJ-UHFFFAOYSA-N 1 2 398.942 3.607 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)c1ccc(OC(C)C)cc1 ZINC001341034877 1060345752 /nfs/dbraw/zinc/34/57/52/1060345752.db2.gz FJLMSHPYLBTZMY-UHFFFAOYSA-N 1 2 396.539 3.946 20 30 GHEDLO C[C@H](c1nc2ccccc2s1)[N@H+](C)CC#CCN1C(=O)c2ccccc2C1=O ZINC001459721189 1064186376 /nfs/dbraw/zinc/18/63/76/1064186376.db2.gz WHWAVTGQDJPHIV-OAHLLOKOSA-N 1 2 389.480 3.589 20 30 GHEDLO C[C@H](c1nc2ccccc2s1)[N@@H+](C)CC#CCN1C(=O)c2ccccc2C1=O ZINC001459721189 1064186382 /nfs/dbraw/zinc/18/63/82/1064186382.db2.gz WHWAVTGQDJPHIV-OAHLLOKOSA-N 1 2 389.480 3.589 20 30 GHEDLO C=CCNC(=O)c1ccccc1NC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001463911025 1064712613 /nfs/dbraw/zinc/71/26/13/1064712613.db2.gz YRORZQHQGGHNIC-CALCHBBNSA-N 1 2 378.476 3.607 20 30 GHEDLO N#CCCCOc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c1 ZINC001357804239 1067282764 /nfs/dbraw/zinc/28/27/64/1067282764.db2.gz ZMXARVKYFFPOJJ-UHFFFAOYSA-N 1 2 391.387 3.715 20 30 GHEDLO C=CC[C@@H]1[N@H+](CC(=O)N=c2cc[nH]n2Cc2cccc(C)c2)CCCC1(C)C ZINC001473431431 1067559597 /nfs/dbraw/zinc/55/95/97/1067559597.db2.gz DQFWCBLXENGBQN-FQEVSTJZSA-N 1 2 380.536 3.667 20 30 GHEDLO C=CC[C@@H]1[N@@H+](CC(=O)N=c2cc[nH]n2Cc2cccc(C)c2)CCCC1(C)C ZINC001473431431 1067559599 /nfs/dbraw/zinc/55/95/99/1067559599.db2.gz DQFWCBLXENGBQN-FQEVSTJZSA-N 1 2 380.536 3.667 20 30 GHEDLO C#CCN(CC#CC)c1nnc(-c2ccccc2)n1CCCc1cccc(C)[nH+]1 ZINC001358990524 1067637983 /nfs/dbraw/zinc/63/79/83/1067637983.db2.gz QZADCIYEBZEAFW-UHFFFAOYSA-N 1 2 383.499 3.744 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2[C@@H]2C[C@H]2CF)CC1 ZINC001359032053 1067659279 /nfs/dbraw/zinc/65/92/79/1067659279.db2.gz ZHQKEBMHQLWBAN-AZUAARDMSA-N 1 2 395.526 3.528 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCCC2(C)C)CC1 ZINC001359037243 1067660416 /nfs/dbraw/zinc/66/04/16/1067660416.db2.gz AYBGHVAJRWLVRG-LJQANCHMSA-N 1 2 397.592 3.512 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCC(C)C)CC1 ZINC001359036671 1067660504 /nfs/dbraw/zinc/66/05/04/1067660504.db2.gz DVTZYUKGTBRJAD-UHFFFAOYSA-N 1 2 399.970 3.714 20 30 GHEDLO C=C[C@@](C)(O)CC(=O)N1CC[N@@H+](Cc2ccc(Cl)cc2)C[C@H]1CC(C)C ZINC001468462802 1067740135 /nfs/dbraw/zinc/74/01/35/1067740135.db2.gz RXMSJLCWTANXIP-TZIWHRDSSA-N 1 2 378.944 3.726 20 30 GHEDLO C=C[C@@](C)(O)CC(=O)N1CC[N@H+](Cc2ccc(Cl)cc2)C[C@H]1CC(C)C ZINC001468462802 1067740139 /nfs/dbraw/zinc/74/01/39/1067740139.db2.gz RXMSJLCWTANXIP-TZIWHRDSSA-N 1 2 378.944 3.726 20 30 GHEDLO N#CCc1cccc2c1CC[N@@H+]([C@H]1CCN(c3ccc(Cl)c(F)c3)C1=O)C2 ZINC001460568683 1068999493 /nfs/dbraw/zinc/99/94/93/1068999493.db2.gz NDMDOCZWOSYIAG-FQEVSTJZSA-N 1 2 383.854 3.709 20 30 GHEDLO N#CCc1cccc2c1CC[N@H+]([C@H]1CCN(c3ccc(Cl)c(F)c3)C1=O)C2 ZINC001460568683 1068999498 /nfs/dbraw/zinc/99/94/98/1068999498.db2.gz NDMDOCZWOSYIAG-FQEVSTJZSA-N 1 2 383.854 3.709 20 30 GHEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](c2ncc(Br)cn2)C1 ZINC001460772322 1069169239 /nfs/dbraw/zinc/16/92/39/1069169239.db2.gz ISJCHVDYRUSYKL-CYBMUJFWSA-N 1 2 375.245 3.629 20 30 GHEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](c2ncc(Br)cn2)C1 ZINC001460772322 1069169242 /nfs/dbraw/zinc/16/92/42/1069169242.db2.gz ISJCHVDYRUSYKL-CYBMUJFWSA-N 1 2 375.245 3.629 20 30 GHEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC=C(c3c[nH]c4ccccc34)CC2)c1 ZINC001460830409 1069207389 /nfs/dbraw/zinc/20/73/89/1069207389.db2.gz GYHNGXVHIVCTQV-UHFFFAOYSA-N 1 2 391.496 3.603 20 30 GHEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC=C(c3c[nH]c4ccccc34)CC2)c1 ZINC001460830409 1069207396 /nfs/dbraw/zinc/20/73/96/1069207396.db2.gz GYHNGXVHIVCTQV-UHFFFAOYSA-N 1 2 391.496 3.603 20 30 GHEDLO C[C@](O)(C[NH+]1CCC(c2ncc(C(F)(F)F)[nH]2)CC1)C(F)(F)C(F)(F)F ZINC001460845303 1069214475 /nfs/dbraw/zinc/21/44/75/1069214475.db2.gz AUGQYVMPJKRKOH-NSHDSACASA-N 1 2 395.294 3.557 20 30 GHEDLO C[N@@H+](Cc1ccc(Br)cc1C#N)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC001460855390 1069226513 /nfs/dbraw/zinc/22/65/13/1069226513.db2.gz GSTREPOHWQASIR-INIZCTEOSA-N 1 2 394.313 3.762 20 30 GHEDLO C[N@H+](Cc1ccc(Br)cc1C#N)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC001460855390 1069226521 /nfs/dbraw/zinc/22/65/21/1069226521.db2.gz GSTREPOHWQASIR-INIZCTEOSA-N 1 2 394.313 3.762 20 30 GHEDLO C#CCOc1ccc(C(=O)NCCc2cn(Cc3ccc(Cl)cc3)c[nH+]2)cc1 ZINC001472404544 1073469906 /nfs/dbraw/zinc/46/99/06/1073469906.db2.gz ZTYHTLBZLQQKPO-UHFFFAOYSA-N 1 2 393.874 3.569 20 30 GHEDLO N#Cc1c(N)c([N+](=O)[O-])ccc1NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC001472870995 1073704591 /nfs/dbraw/zinc/70/45/91/1073704591.db2.gz OCVUPZFGRKLPBN-UHFFFAOYSA-N 1 2 388.431 3.562 20 30 GHEDLO C=CC[N@H+](Cc1cccc(C#N)c1)[C@@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC001473132127 1073796752 /nfs/dbraw/zinc/79/67/52/1073796752.db2.gz SUQNUWMLTNUSGZ-KRWDZBQOSA-N 1 2 385.471 3.964 20 30 GHEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC001473132127 1073796758 /nfs/dbraw/zinc/79/67/58/1073796758.db2.gz SUQNUWMLTNUSGZ-KRWDZBQOSA-N 1 2 385.471 3.964 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](C[C@H](O)c3ccc(Cl)cc3Cl)CC2)c(F)c1 ZINC001473141324 1073803734 /nfs/dbraw/zinc/80/37/34/1073803734.db2.gz OXUHKWRXJSYUBN-IBGZPJMESA-N 1 2 394.277 3.860 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)c3ccccc3)C2)c(OC(F)F)c1 ZINC001473184998 1073840587 /nfs/dbraw/zinc/84/05/87/1073840587.db2.gz MRAYYSKYBAXXIA-SFHVURJKSA-N 1 2 385.414 3.554 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)c3ccccc3)C2)c(OC(F)F)c1 ZINC001473184998 1073840595 /nfs/dbraw/zinc/84/05/95/1073840595.db2.gz MRAYYSKYBAXXIA-SFHVURJKSA-N 1 2 385.414 3.554 20 30 GHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCSC(C)(C)C2)c1C#N ZINC001473218524 1073867700 /nfs/dbraw/zinc/86/77/00/1073867700.db2.gz RHLKKYVBFLMWOJ-UHFFFAOYSA-N 1 2 382.533 3.732 20 30 GHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CCSC(C)(C)C2)c1C#N ZINC001473218524 1073867706 /nfs/dbraw/zinc/86/77/06/1073867706.db2.gz RHLKKYVBFLMWOJ-UHFFFAOYSA-N 1 2 382.533 3.732 20 30 GHEDLO Cc1nn(-c2ccc(C)cc2)cc1C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC001474307120 1074333588 /nfs/dbraw/zinc/33/35/88/1074333588.db2.gz CZTWRVKKSCMJCM-XMMPIXPASA-N 1 2 385.515 3.872 20 30 GHEDLO C#CCOc1cccc(Cl)c1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001474378323 1074373709 /nfs/dbraw/zinc/37/37/09/1074373709.db2.gz PWFVUVBHWDBEQA-UHFFFAOYSA-N 1 2 385.851 3.582 20 30 GHEDLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)Nc3ccc(C#N)cc3Cl)C2)cc1 ZINC001476275833 1075114792 /nfs/dbraw/zinc/11/47/92/1075114792.db2.gz KYQSXPOXSQARTL-SFHVURJKSA-N 1 2 398.894 3.543 20 30 GHEDLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)Nc3ccc(C#N)cc3Cl)C2)cc1 ZINC001476275833 1075114793 /nfs/dbraw/zinc/11/47/93/1075114793.db2.gz KYQSXPOXSQARTL-SFHVURJKSA-N 1 2 398.894 3.543 20 30 GHEDLO CC[C@@H](C)c1nnc(N(C)C[C@H](C)C#N)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001495090913 1079381875 /nfs/dbraw/zinc/38/18/75/1079381875.db2.gz YBIAVKYSRNTFGC-QZTJIDSGSA-N 1 2 395.555 3.821 20 30 GHEDLO CC(=NNc1ccc(-c2nn[nH]n2)c(Cl)c1)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000823958793 609473283 /nfs/dbraw/zinc/47/32/83/609473283.db2.gz WYOGZEFLRAZUQS-UHFFFAOYSA-N 1 2 392.854 3.850 20 30 GHEDLO N#CCCC[C@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccccc1 ZINC000431779614 837476784 /nfs/dbraw/zinc/47/67/84/837476784.db2.gz UUJPWCUZUGUFKB-FQEVSTJZSA-N 1 2 377.492 3.916 20 30 GHEDLO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000581658096 837576534 /nfs/dbraw/zinc/57/65/34/837576534.db2.gz NZTDKHHJESYDBT-UHOSZYNNSA-N 1 2 380.492 3.681 20 30 GHEDLO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000581658096 837576540 /nfs/dbraw/zinc/57/65/40/837576540.db2.gz NZTDKHHJESYDBT-UHOSZYNNSA-N 1 2 380.492 3.681 20 30 GHEDLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)Nc2ccc(CC#N)cc2)c2ccc(Cl)cc2)C1 ZINC000156571560 834452693 /nfs/dbraw/zinc/45/26/93/834452693.db2.gz SMMNMYIRDJMPMR-WOJBJXKFSA-N 1 2 398.894 3.599 20 30 GHEDLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)Nc2ccc(CC#N)cc2)c2ccc(Cl)cc2)C1 ZINC000156571560 834452696 /nfs/dbraw/zinc/45/26/96/834452696.db2.gz SMMNMYIRDJMPMR-WOJBJXKFSA-N 1 2 398.894 3.599 20 30 GHEDLO C[C@@H](C(=O)N1c2ccccc2CC[C@H]1C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000548798522 834499614 /nfs/dbraw/zinc/49/96/14/834499614.db2.gz CNHLZILYOOWUSU-MOPGFXCFSA-N 1 2 388.515 3.695 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1 ZINC000583534166 834587897 /nfs/dbraw/zinc/58/78/97/834587897.db2.gz APRTWYLCNLVBOF-IEBWSBKVSA-N 1 2 399.926 3.736 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1 ZINC000583534166 834587906 /nfs/dbraw/zinc/58/79/06/834587906.db2.gz APRTWYLCNLVBOF-IEBWSBKVSA-N 1 2 399.926 3.736 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)NCc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179138996 834945770 /nfs/dbraw/zinc/94/57/70/834945770.db2.gz VKKBPNRQVZTJKO-OALUTQOASA-N 1 2 386.858 3.595 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)NCc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179138996 834945777 /nfs/dbraw/zinc/94/57/77/834945777.db2.gz VKKBPNRQVZTJKO-OALUTQOASA-N 1 2 386.858 3.595 20 30 GHEDLO CCN(C)c1ccc(C(C)=[NH+]Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1 ZINC000748076455 835327025 /nfs/dbraw/zinc/32/70/25/835327025.db2.gz VCNRAGMZXYMCNA-UHFFFAOYSA-N 1 2 381.448 3.975 20 30 GHEDLO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)Cc1nc(-c2cccnc2)no1 ZINC000093365332 835343916 /nfs/dbraw/zinc/34/39/16/835343916.db2.gz FNHFBFUSMLDMIY-UHFFFAOYSA-N 1 2 399.458 3.541 20 30 GHEDLO C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)Cc1nc(-c2cccnc2)no1 ZINC000093365332 835343925 /nfs/dbraw/zinc/34/39/25/835343925.db2.gz FNHFBFUSMLDMIY-UHFFFAOYSA-N 1 2 399.458 3.541 20 30 GHEDLO C=CCOc1ccc(CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000584071021 835546950 /nfs/dbraw/zinc/54/69/50/835546950.db2.gz KWACEIGJTMCACF-UHFFFAOYSA-N 1 2 380.423 3.576 20 30 GHEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@H](CCCC#N)c2ccccc2)CC1 ZINC000458795646 835582725 /nfs/dbraw/zinc/58/27/25/835582725.db2.gz CUBZUPAXCLNSKV-DENIHFKCSA-N 1 2 391.519 3.905 20 30 GHEDLO Cc1nsc(N2CC[NH+](Cc3ccc(C(=O)OC(C)(C)C)cc3)CC2)c1C#N ZINC000584261041 835820993 /nfs/dbraw/zinc/82/09/93/835820993.db2.gz JBBIIYRNEOIRRC-UHFFFAOYSA-N 1 2 398.532 3.601 20 30 GHEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(Oc2cccc(F)c2)c2ccncc12 ZINC000584346310 835899804 /nfs/dbraw/zinc/89/98/04/835899804.db2.gz BUYXZKOCRYRCDC-KRWDZBQOSA-N 1 2 394.450 3.784 20 30 GHEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(Oc2cccc(F)c2)c2ccncc12 ZINC000584346310 835899811 /nfs/dbraw/zinc/89/98/11/835899811.db2.gz BUYXZKOCRYRCDC-KRWDZBQOSA-N 1 2 394.450 3.784 20 30 GHEDLO N#Cc1ccccc1-c1ccc(CNC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000179882039 836227242 /nfs/dbraw/zinc/22/72/42/836227242.db2.gz FNQWOEZIAHNEJW-NRFANRHFSA-N 1 2 385.471 3.796 20 30 GHEDLO COc1ccc(CC(N)=[NH+]OCc2csc(Cc3ccccc3)n2)cc1OC ZINC000065948613 836323618 /nfs/dbraw/zinc/32/36/18/836323618.db2.gz NZKIHFDQGNIQRF-UHFFFAOYSA-N 1 2 397.500 3.783 20 30 GHEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 ZINC000255050195 836495100 /nfs/dbraw/zinc/49/51/00/836495100.db2.gz CRTKGOQYHZUEJQ-TWGQIWQCSA-N 1 2 394.374 3.566 20 30 GHEDLO O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000328641080 836521966 /nfs/dbraw/zinc/52/19/66/836521966.db2.gz CZWSTXOOLNVPKF-QGZVFWFLSA-N 1 2 395.507 3.676 20 30 GHEDLO C[C@@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000175580876 836715756 /nfs/dbraw/zinc/71/57/56/836715756.db2.gz AEZMWTFNLDTWEU-IAGOWNOFSA-N 1 2 395.528 3.548 20 30 GHEDLO C=C(C)Cn1c([C@H](C)CC)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000549320993 837864279 /nfs/dbraw/zinc/86/42/79/837864279.db2.gz CBJUPFRBLPVONH-QGZVFWFLSA-N 1 2 397.571 3.916 20 30 GHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+]C(C)(C)c2nccs2)c1C#N ZINC000118848201 838266197 /nfs/dbraw/zinc/26/61/97/838266197.db2.gz VZBPHWGFTPYIQC-UHFFFAOYSA-N 1 2 393.516 3.886 20 30 GHEDLO COCC[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccc(C)cc1C ZINC000610368216 838718791 /nfs/dbraw/zinc/71/87/91/838718791.db2.gz IKHVVMXTZSYATC-UHFFFAOYSA-N 1 2 376.460 3.874 20 30 GHEDLO COCC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccc(C)cc1C ZINC000610368216 838718800 /nfs/dbraw/zinc/71/88/00/838718800.db2.gz IKHVVMXTZSYATC-UHFFFAOYSA-N 1 2 376.460 3.874 20 30 GHEDLO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1nc(C(F)(F)F)cs1 ZINC000274411590 838926143 /nfs/dbraw/zinc/92/61/43/838926143.db2.gz SBKDFPCTUQOKCG-SMDDNHRTSA-N 1 2 394.422 3.880 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)NCC(C)(C)CCC#N)[C@H](C)C1 ZINC000513112552 844506729 /nfs/dbraw/zinc/50/67/29/844506729.db2.gz BKDFDHQBCBAITK-GOSISDBHSA-N 1 2 386.540 3.631 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)NCC(C)(C)CCC#N)[C@H](C)C1 ZINC000513112552 844506733 /nfs/dbraw/zinc/50/67/33/844506733.db2.gz BKDFDHQBCBAITK-GOSISDBHSA-N 1 2 386.540 3.631 20 30 GHEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000584847407 841061977 /nfs/dbraw/zinc/06/19/77/841061977.db2.gz NEBFBIBUVFMOMO-DOTOQJQBSA-N 1 2 394.475 3.556 20 30 GHEDLO C=C(C)C[N@H+](CC(=O)Nc1oc(C)c2c1c(=O)[nH]nc2C)Cc1ccccc1 ZINC000684208558 841176730 /nfs/dbraw/zinc/17/67/30/841176730.db2.gz OFKMJDPEUOSCJA-UHFFFAOYSA-N 1 2 380.448 3.562 20 30 GHEDLO C=C(C)C[N@@H+](CC(=O)Nc1oc(C)c2c1c(=O)[nH]nc2C)Cc1ccccc1 ZINC000684208558 841176739 /nfs/dbraw/zinc/17/67/39/841176739.db2.gz OFKMJDPEUOSCJA-UHFFFAOYSA-N 1 2 380.448 3.562 20 30 GHEDLO C=CC[C@H]1CCCC[C@H]1NC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000660292694 841230735 /nfs/dbraw/zinc/23/07/35/841230735.db2.gz KNKVXLOYLBOFGU-GHTZIAJQSA-N 1 2 398.551 3.524 20 30 GHEDLO O=C(NCc1nc2c(s1)CCCC2)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000329568989 841387090 /nfs/dbraw/zinc/38/70/90/841387090.db2.gz PRDQHGUPKZMNHD-FQEVSTJZSA-N 1 2 385.533 3.676 20 30 GHEDLO C=CC[N@H+](CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1)[C@H](C)COC ZINC000661246647 841570101 /nfs/dbraw/zinc/57/01/01/841570101.db2.gz JMAYQLOCEMDVDR-WBVHZDCISA-N 1 2 387.505 3.542 20 30 GHEDLO C=CC[N@@H+](CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1)[C@H](C)COC ZINC000661246647 841570113 /nfs/dbraw/zinc/57/01/13/841570113.db2.gz JMAYQLOCEMDVDR-WBVHZDCISA-N 1 2 387.505 3.542 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCc3ccc4ccccc4c3)CC2)cc1 ZINC000054042283 842219195 /nfs/dbraw/zinc/21/91/95/842219195.db2.gz SCECNWRCUGDGSZ-UHFFFAOYSA-N 1 2 383.495 3.988 20 30 GHEDLO CCOc1ccc([C@@H](C)NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000054093392 842313804 /nfs/dbraw/zinc/31/38/04/842313804.db2.gz UHMKOGWSHJBNMT-GOSISDBHSA-N 1 2 392.503 3.545 20 30 GHEDLO C=CCOc1ccc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1OC ZINC000278970350 842397866 /nfs/dbraw/zinc/39/78/66/842397866.db2.gz OKKPSCXQBHIOCZ-UHFFFAOYSA-N 1 2 395.503 3.813 20 30 GHEDLO CCOc1ccc(C#N)cc1NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000510539089 842926133 /nfs/dbraw/zinc/92/61/33/842926133.db2.gz PFYDKKCXIDRVQQ-UHFFFAOYSA-N 1 2 375.432 3.523 20 30 GHEDLO N#CCCn1cc(CNc2ccc(N3CCCCC3)[nH+]c2)c(-c2ccncc2)n1 ZINC000432741575 843653034 /nfs/dbraw/zinc/65/30/34/843653034.db2.gz HUYXQTRCQXBPRL-UHFFFAOYSA-N 1 2 387.491 3.856 20 30 GHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](C)CCc2nccs2)c1C#N ZINC000158035412 843672749 /nfs/dbraw/zinc/67/27/49/843672749.db2.gz MHRIEDPFZMQXMD-UHFFFAOYSA-N 1 2 393.516 3.535 20 30 GHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](C)CCc2nccs2)c1C#N ZINC000158035412 843672761 /nfs/dbraw/zinc/67/27/61/843672761.db2.gz MHRIEDPFZMQXMD-UHFFFAOYSA-N 1 2 393.516 3.535 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)CCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000500602991 843715690 /nfs/dbraw/zinc/71/56/90/843715690.db2.gz BOBBNYNJSCLAEM-IRXDYDNUSA-N 1 2 380.895 3.853 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)NCC(C)(C)CCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000500602991 843715693 /nfs/dbraw/zinc/71/56/93/843715693.db2.gz BOBBNYNJSCLAEM-IRXDYDNUSA-N 1 2 380.895 3.853 20 30 GHEDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Br)Cc2ccccc21 ZINC000599667473 861460596 /nfs/dbraw/zinc/46/05/96/861460596.db2.gz RILBJJAZMUWQHL-QGZVFWFLSA-N 1 2 385.261 3.593 20 30 GHEDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Br)Cc2ccccc21 ZINC000599667473 861460602 /nfs/dbraw/zinc/46/06/02/861460602.db2.gz RILBJJAZMUWQHL-QGZVFWFLSA-N 1 2 385.261 3.593 20 30 GHEDLO Cc1nc([C@H]2CCC[N@@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)sc1C ZINC000333064154 843952355 /nfs/dbraw/zinc/95/23/55/843952355.db2.gz SYFAASFONULIIY-HOTGVXAUSA-N 1 2 386.546 3.678 20 30 GHEDLO Cc1nc([C@H]2CCC[N@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)sc1C ZINC000333064154 843952360 /nfs/dbraw/zinc/95/23/60/843952360.db2.gz SYFAASFONULIIY-HOTGVXAUSA-N 1 2 386.546 3.678 20 30 GHEDLO Cc1nnc([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)C2)[nH]1 ZINC000329472371 861494330 /nfs/dbraw/zinc/49/43/30/861494330.db2.gz OHCGRYMUNIWTNU-YPMHNXCESA-N 1 2 381.402 3.988 20 30 GHEDLO Cc1nnc([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)C2)[nH]1 ZINC000329472371 861494338 /nfs/dbraw/zinc/49/43/38/861494338.db2.gz OHCGRYMUNIWTNU-YPMHNXCESA-N 1 2 381.402 3.988 20 30 GHEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679087 861516146 /nfs/dbraw/zinc/51/61/46/861516146.db2.gz PAXIJJBQXMHSEE-KRWDZBQOSA-N 1 2 390.462 3.585 20 30 GHEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679087 861516156 /nfs/dbraw/zinc/51/61/56/861516156.db2.gz PAXIJJBQXMHSEE-KRWDZBQOSA-N 1 2 390.462 3.585 20 30 GHEDLO C[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000535905573 845150130 /nfs/dbraw/zinc/15/01/30/845150130.db2.gz MDTGBKYZVYUXAR-KRWDZBQOSA-N 1 2 381.907 3.735 20 30 GHEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000329503012 861554701 /nfs/dbraw/zinc/55/47/01/861554701.db2.gz YXUSJDZMILEFBA-RDJZCZTQSA-N 1 2 379.460 3.927 20 30 GHEDLO C[C@H](c1cn(-c2ccccc2)nn1)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512806161 845585878 /nfs/dbraw/zinc/58/58/78/845585878.db2.gz RIZPKYCAAONDIE-MRXNPFEDSA-N 1 2 391.450 3.882 20 30 GHEDLO CCOC(=O)c1[nH]c(C)c(C(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1C ZINC000502549339 846188407 /nfs/dbraw/zinc/18/84/07/846188407.db2.gz WGSOACHPTUYQPB-UHFFFAOYSA-N 1 2 391.471 3.652 20 30 GHEDLO CCOC(=O)c1[nH]c(C)c(C(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1C ZINC000502549339 846188418 /nfs/dbraw/zinc/18/84/18/846188418.db2.gz WGSOACHPTUYQPB-UHFFFAOYSA-N 1 2 391.471 3.652 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+]([C@H](C(=O)NC3CC3)c3ccc(F)cc3)CC2)cc1 ZINC000551948236 846595432 /nfs/dbraw/zinc/59/54/32/846595432.db2.gz LYSSETFWHDSAOW-QFIPXVFZSA-N 1 2 393.462 3.560 20 30 GHEDLO N#Cc1ccc(Oc2cccc(C(=O)N3CC[NH2+][C@H](c4ccncc4)C3)c2)cc1 ZINC000367086301 846599396 /nfs/dbraw/zinc/59/93/96/846599396.db2.gz SXBGZOLXZNXHNC-QFIPXVFZSA-N 1 2 384.439 3.532 20 30 GHEDLO N#Cc1ccsc1NC(=O)C[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000370878770 846649852 /nfs/dbraw/zinc/64/98/52/846649852.db2.gz FVJQLNBUNLXWBL-GOSISDBHSA-N 1 2 382.876 3.986 20 30 GHEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ccnc(-c3ccccc3)n2)CC1 ZINC000329043321 846788686 /nfs/dbraw/zinc/78/86/86/846788686.db2.gz FBABULVMELUKDB-KRWDZBQOSA-N 1 2 379.508 3.553 20 30 GHEDLO N#Cc1ccccc1COc1ccc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000263955574 846831542 /nfs/dbraw/zinc/83/15/42/846831542.db2.gz SKEUTVNHOVGWPW-LJQANCHMSA-N 1 2 386.455 3.880 20 30 GHEDLO CCC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H](C)c1ccccc1OC ZINC000478412060 847072637 /nfs/dbraw/zinc/07/26/37/847072637.db2.gz BQEMTTCTMRKSEA-QGZVFWFLSA-N 1 2 386.517 3.814 20 30 GHEDLO CCC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H](C)c1ccccc1OC ZINC000478412060 847072646 /nfs/dbraw/zinc/07/26/46/847072646.db2.gz BQEMTTCTMRKSEA-QGZVFWFLSA-N 1 2 386.517 3.814 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cc(C#N)ccc2Cl)[C@@H](C)C1 ZINC000582411513 847174643 /nfs/dbraw/zinc/17/46/43/847174643.db2.gz DMVUBJPVTPFIMY-INIZCTEOSA-N 1 2 397.906 3.957 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cc(C#N)ccc2Cl)[C@@H](C)C1 ZINC000582411513 847174655 /nfs/dbraw/zinc/17/46/55/847174655.db2.gz DMVUBJPVTPFIMY-INIZCTEOSA-N 1 2 397.906 3.957 20 30 GHEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)N3CCSc4ccccc43)CC2)cc1 ZINC000502505149 847947363 /nfs/dbraw/zinc/94/73/63/847947363.db2.gz DILMJFVWKAIVGI-UHFFFAOYSA-N 1 2 375.497 3.786 20 30 GHEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)N3CCSc4ccccc43)CC2)cc1 ZINC000502505149 847947369 /nfs/dbraw/zinc/94/73/69/847947369.db2.gz DILMJFVWKAIVGI-UHFFFAOYSA-N 1 2 375.497 3.786 20 30 GHEDLO Cc1cc2oc(=O)cc(C[NH+]3CCN([C@@H](C#N)C(C)C)CC3)c2cc1C(C)C ZINC000731846736 861905059 /nfs/dbraw/zinc/90/50/59/861905059.db2.gz NIGGHRUXNATOGA-NRFANRHFSA-N 1 2 381.520 3.891 20 30 GHEDLO CCO[C@H]1C[C@@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])C1(CC)CC ZINC000178715505 848738406 /nfs/dbraw/zinc/73/84/06/848738406.db2.gz SNKOJFZVPKLMAL-MOPGFXCFSA-N 1 2 396.535 3.630 20 30 GHEDLO C=CC[C@@H](CC)NC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000504094461 849895500 /nfs/dbraw/zinc/89/55/00/849895500.db2.gz UMQIQGCIXPWYAW-CQSZACIVSA-N 1 2 395.301 3.805 20 30 GHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](Cc2ccc(OC)cc2)C1 ZINC000435026214 850009181 /nfs/dbraw/zinc/00/91/81/850009181.db2.gz LJMVIMCVZVQZGY-DENIHFKCSA-N 1 2 378.472 3.736 20 30 GHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](Cc2ccc(OC)cc2)C1 ZINC000435026214 850009186 /nfs/dbraw/zinc/00/91/86/850009186.db2.gz LJMVIMCVZVQZGY-DENIHFKCSA-N 1 2 378.472 3.736 20 30 GHEDLO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000430134049 850156578 /nfs/dbraw/zinc/15/65/78/850156578.db2.gz BUWGSMMKLXLFEG-AWEZNQCLSA-N 1 2 383.858 3.709 20 30 GHEDLO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000430134049 850156590 /nfs/dbraw/zinc/15/65/90/850156590.db2.gz BUWGSMMKLXLFEG-AWEZNQCLSA-N 1 2 383.858 3.709 20 30 GHEDLO N#C[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1cccc(C(F)(F)F)c1 ZINC000518847793 850215702 /nfs/dbraw/zinc/21/57/02/850215702.db2.gz DLKPNOUIMHCVNZ-GOSISDBHSA-N 1 2 384.361 3.945 20 30 GHEDLO N#Cc1ccc(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)s1 ZINC000487287247 850649152 /nfs/dbraw/zinc/64/91/52/850649152.db2.gz IQZNKWAQTQAYDF-UHFFFAOYSA-N 1 2 376.445 3.509 20 30 GHEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cnn(C3CCCCC3)c2C)nc[nH+]1 ZINC000329705078 862160937 /nfs/dbraw/zinc/16/09/37/862160937.db2.gz JXNLUZXBZYLXKJ-QGZVFWFLSA-N 1 2 397.527 3.502 20 30 GHEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cnn(C3CCCCC3)c2C)[nH+]cn1 ZINC000329705078 862160945 /nfs/dbraw/zinc/16/09/45/862160945.db2.gz JXNLUZXBZYLXKJ-QGZVFWFLSA-N 1 2 397.527 3.502 20 30 GHEDLO Cc1cc(OCC[N@@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)ccc1C(C)C ZINC000513974587 851065704 /nfs/dbraw/zinc/06/57/04/851065704.db2.gz PVWPFDQYJFVDJW-UUOWRZLLSA-N 1 2 389.499 3.843 20 30 GHEDLO Cc1cc(OCC[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)ccc1C(C)C ZINC000513974587 851065713 /nfs/dbraw/zinc/06/57/13/851065713.db2.gz PVWPFDQYJFVDJW-UUOWRZLLSA-N 1 2 389.499 3.843 20 30 GHEDLO N#Cc1cccc(-c2cc(C(=O)N3CC[NH2+][C@@H](c4cccc(Cl)c4)C3)on2)c1 ZINC000513993566 851093511 /nfs/dbraw/zinc/09/35/11/851093511.db2.gz CFSBBJUFEAKRRM-LJQANCHMSA-N 1 2 392.846 3.653 20 30 GHEDLO CC[C@H]1C[N@H+](CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CCO1 ZINC000488337099 851404417 /nfs/dbraw/zinc/40/44/17/851404417.db2.gz IXUNVDBOMQPWQQ-IBGZPJMESA-N 1 2 394.475 3.583 20 30 GHEDLO CC[C@H]1C[N@@H+](CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CCO1 ZINC000488337099 851404423 /nfs/dbraw/zinc/40/44/23/851404423.db2.gz IXUNVDBOMQPWQQ-IBGZPJMESA-N 1 2 394.475 3.583 20 30 GHEDLO Cc1ccc2[nH+]c(CSCC(=O)N(C)[C@H](C)c3cccc(C#N)c3)cn2c1 ZINC000425125809 851445265 /nfs/dbraw/zinc/44/52/65/851445265.db2.gz GWSSQWHNOPKYOL-MRXNPFEDSA-N 1 2 378.501 3.967 20 30 GHEDLO Cc1cc(Br)cn2cc(CCNc3c(C#N)cccc3C#N)[nH+]c12 ZINC000436338058 851482618 /nfs/dbraw/zinc/48/26/18/851482618.db2.gz QMSNHDZHBQXUHY-UHFFFAOYSA-N 1 2 380.249 3.803 20 30 GHEDLO N#Cc1ccc(C[N@@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)c(C(F)(F)F)c1 ZINC000430107311 851583919 /nfs/dbraw/zinc/58/39/19/851583919.db2.gz WPQJRQSXSLRXCZ-UHFFFAOYSA-N 1 2 391.368 3.980 20 30 GHEDLO N#Cc1ccc(C[N@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)c(C(F)(F)F)c1 ZINC000430107311 851583924 /nfs/dbraw/zinc/58/39/24/851583924.db2.gz WPQJRQSXSLRXCZ-UHFFFAOYSA-N 1 2 391.368 3.980 20 30 GHEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C1 ZINC000455762789 862312166 /nfs/dbraw/zinc/31/21/66/862312166.db2.gz BLNUQSVBJVSRMB-OAHLLOKOSA-N 1 2 381.480 3.881 20 30 GHEDLO COc1ccc2c(c1)C1(CC1)C[N@H+]([C@H](C)C(=O)Nc1ccc3c(c1)OCO3)C2 ZINC000329804473 862331810 /nfs/dbraw/zinc/33/18/10/862331810.db2.gz ACSJETORDNHBRM-CQSZACIVSA-N 1 2 380.444 3.948 20 30 GHEDLO COc1ccc2c(c1)C1(CC1)C[N@@H+]([C@H](C)C(=O)Nc1ccc3c(c1)OCO3)C2 ZINC000329804473 862331823 /nfs/dbraw/zinc/33/18/23/862331823.db2.gz ACSJETORDNHBRM-CQSZACIVSA-N 1 2 380.444 3.948 20 30 GHEDLO COCc1ccccc1/C=C(/C)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000506994996 852436271 /nfs/dbraw/zinc/43/62/71/852436271.db2.gz NDNCCYMFKNNWQJ-HKWRFOASSA-N 1 2 375.516 3.926 20 30 GHEDLO O=C1NC2(CCCCC2)C(=O)N1CCC/[NH+]=C\c1c(O)ccc2ccccc21 ZINC000912782428 852706198 /nfs/dbraw/zinc/70/61/98/852706198.db2.gz RUFFWAWCRVRWAL-HAHDFKILSA-N 1 2 379.460 3.609 20 30 GHEDLO N#CCc1ccc(C(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)cc1 ZINC000507404703 852877431 /nfs/dbraw/zinc/87/74/31/852877431.db2.gz PXKXJAHQASNNJE-UHFFFAOYSA-N 1 2 378.863 3.945 20 30 GHEDLO CCOc1cc(C[NH+]2CCN(c3ccccc3C#N)CC2)cc(Cl)c1OC ZINC000506394863 852957548 /nfs/dbraw/zinc/95/75/48/852957548.db2.gz LHEZIPRAZOYMEA-UHFFFAOYSA-N 1 2 385.895 3.941 20 30 GHEDLO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](CC(=O)Nc3nc4c(s3)CCC4)C2)nc1 ZINC000329924628 862428420 /nfs/dbraw/zinc/42/84/20/862428420.db2.gz VAXAVSCGLDIFOD-CQSZACIVSA-N 1 2 399.520 3.923 20 30 GHEDLO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](CC(=O)Nc3nc4c(s3)CCC4)C2)nc1 ZINC000329924628 862428422 /nfs/dbraw/zinc/42/84/22/862428422.db2.gz VAXAVSCGLDIFOD-CQSZACIVSA-N 1 2 399.520 3.923 20 30 GHEDLO N#Cc1c(NC(=O)CC[N@@H+]2CCO[C@H](c3ccccc3)C2)sc2c1CCCC2 ZINC000029534378 853191503 /nfs/dbraw/zinc/19/15/03/853191503.db2.gz PRKACLAJYFYADX-IBGZPJMESA-N 1 2 395.528 3.901 20 30 GHEDLO N#Cc1c(NC(=O)CC[N@H+]2CCO[C@H](c3ccccc3)C2)sc2c1CCCC2 ZINC000029534378 853191510 /nfs/dbraw/zinc/19/15/10/853191510.db2.gz PRKACLAJYFYADX-IBGZPJMESA-N 1 2 395.528 3.901 20 30 GHEDLO CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)C1 ZINC000329946439 862447072 /nfs/dbraw/zinc/44/70/72/862447072.db2.gz JQAJRMHTFFAPNF-XWTMOSNGSA-N 1 2 375.517 3.604 20 30 GHEDLO CC[C@H](NC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1)C1CCOCC1 ZINC000329966298 862463751 /nfs/dbraw/zinc/46/37/51/862463751.db2.gz UXOBBNJYCUTITM-ZWOKBUDYSA-N 1 2 389.540 3.827 20 30 GHEDLO Cc1cc(C[NH+]2CCN(c3c(C#N)cnc4ccc(C(C)C)cc43)CC2)on1 ZINC000518553514 853499206 /nfs/dbraw/zinc/49/92/06/853499206.db2.gz COHBHRXHCIYFCL-UHFFFAOYSA-N 1 2 375.476 3.849 20 30 GHEDLO COCCOc1ccccc1N1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000440972335 853799357 /nfs/dbraw/zinc/79/93/57/853799357.db2.gz AMOIRXNFQBILAA-UHFFFAOYSA-N 1 2 384.907 3.539 20 30 GHEDLO N#Cc1ccc(N2CC[C@@H](C(=O)Nc3ccc(-c4[nH]cc[nH+]4)cc3)C2)c(F)c1 ZINC000571428309 853877497 /nfs/dbraw/zinc/87/74/97/853877497.db2.gz QYEPVDVYAZOZSM-MRXNPFEDSA-N 1 2 375.407 3.552 20 30 GHEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)c1 ZINC000520173228 853916995 /nfs/dbraw/zinc/91/69/95/853916995.db2.gz WUOCFPMFNDGUQB-OAQYLSRUSA-N 1 2 393.537 3.945 20 30 GHEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)c1 ZINC000520173228 853917000 /nfs/dbraw/zinc/91/70/00/853917000.db2.gz WUOCFPMFNDGUQB-OAQYLSRUSA-N 1 2 393.537 3.945 20 30 GHEDLO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000588203178 854215105 /nfs/dbraw/zinc/21/51/05/854215105.db2.gz TZQSDQVGBIJNHR-CQSZACIVSA-N 1 2 379.298 3.876 20 30 GHEDLO CCOC(=O)CC[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000588203178 854215107 /nfs/dbraw/zinc/21/51/07/854215107.db2.gz TZQSDQVGBIJNHR-CQSZACIVSA-N 1 2 379.298 3.876 20 30 GHEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC([O-])=[NH+][C@H]1CCOc3c(F)cccc31)C2 ZINC000328601598 854501424 /nfs/dbraw/zinc/50/14/24/854501424.db2.gz FTHMKVUCCAXZNP-BBRMVZONSA-N 1 2 386.471 3.662 20 30 GHEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000056212560 854566574 /nfs/dbraw/zinc/56/65/74/854566574.db2.gz QERBIQJIDNUFAA-UHFFFAOYSA-N 1 2 391.387 3.692 20 30 GHEDLO Cc1nnc2ccc(C(=O)N[C@@H]3CC[N@@H+](C)[C@@H]3c3ccc(Cl)c(F)c3)cn12 ZINC000328874117 854592240 /nfs/dbraw/zinc/59/22/40/854592240.db2.gz ZBGYERRUEAXYSU-SJLPKXTDSA-N 1 2 387.846 3.580 20 30 GHEDLO Cc1nnc2ccc(C(=O)N[C@@H]3CC[N@H+](C)[C@@H]3c3ccc(Cl)c(F)c3)cn12 ZINC000328874117 854592246 /nfs/dbraw/zinc/59/22/46/854592246.db2.gz ZBGYERRUEAXYSU-SJLPKXTDSA-N 1 2 387.846 3.580 20 30 GHEDLO COC(=O)CC[N@H+](Cc1cn2ccccc2c1C#N)Cc1ccc(F)c(F)c1 ZINC000609539972 854598249 /nfs/dbraw/zinc/59/82/49/854598249.db2.gz LONFUXJEZNMDMH-UHFFFAOYSA-N 1 2 383.398 3.654 20 30 GHEDLO COC(=O)CC[N@@H+](Cc1cn2ccccc2c1C#N)Cc1ccc(F)c(F)c1 ZINC000609539972 854598254 /nfs/dbraw/zinc/59/82/54/854598254.db2.gz LONFUXJEZNMDMH-UHFFFAOYSA-N 1 2 383.398 3.654 20 30 GHEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000588980074 854626918 /nfs/dbraw/zinc/62/69/18/854626918.db2.gz OHQKDQGFEOHWNU-UHFFFAOYSA-N 1 2 382.851 3.509 20 30 GHEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000588980074 854626928 /nfs/dbraw/zinc/62/69/28/854626928.db2.gz OHQKDQGFEOHWNU-UHFFFAOYSA-N 1 2 382.851 3.509 20 30 GHEDLO N#C[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)c1ccc(Cl)cc1 ZINC000159383606 862594171 /nfs/dbraw/zinc/59/41/71/862594171.db2.gz BDNWTFQUOKBPIN-RTBURBONSA-N 1 2 385.920 3.811 20 30 GHEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000248379460 854712303 /nfs/dbraw/zinc/71/23/03/854712303.db2.gz MYECGOIJXZGVDT-GJZGRUSLSA-N 1 2 384.505 3.653 20 30 GHEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000248379460 854712310 /nfs/dbraw/zinc/71/23/10/854712310.db2.gz MYECGOIJXZGVDT-GJZGRUSLSA-N 1 2 384.505 3.653 20 30 GHEDLO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330139485 862607700 /nfs/dbraw/zinc/60/77/00/862607700.db2.gz WHUFVNGUCKDFGK-GLJUWKHASA-N 1 2 397.313 3.696 20 30 GHEDLO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330139485 862607705 /nfs/dbraw/zinc/60/77/05/862607705.db2.gz WHUFVNGUCKDFGK-GLJUWKHASA-N 1 2 397.313 3.696 20 30 GHEDLO N#Cc1c(NC(=O)CC[N@@H+]2CCO[C@H](c3ccco3)C2)sc2c1CCCCC2 ZINC000120904810 854870727 /nfs/dbraw/zinc/87/07/27/854870727.db2.gz KVFHBYQXYKQESU-SFHVURJKSA-N 1 2 399.516 3.884 20 30 GHEDLO N#Cc1c(NC(=O)CC[N@H+]2CCO[C@H](c3ccco3)C2)sc2c1CCCCC2 ZINC000120904810 854870739 /nfs/dbraw/zinc/87/07/39/854870739.db2.gz KVFHBYQXYKQESU-SFHVURJKSA-N 1 2 399.516 3.884 20 30 GHEDLO C[C@@H]1CCN(C(=O)Nc2cnn(-c3ccc(Cl)cc3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000330147300 862614714 /nfs/dbraw/zinc/61/47/14/862614714.db2.gz INHUXBVUBXPMQU-KDOFPFPSSA-N 1 2 384.871 3.851 20 30 GHEDLO C[C@@H]1CCN(C([O-])=[NH+]c2cnn(-c3ccc(Cl)cc3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000330147300 862614718 /nfs/dbraw/zinc/61/47/18/862614718.db2.gz INHUXBVUBXPMQU-KDOFPFPSSA-N 1 2 384.871 3.851 20 30 GHEDLO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cccc(C#N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000589482297 854902340 /nfs/dbraw/zinc/90/23/40/854902340.db2.gz QSGNWMHCKDMVJL-MJGOQNOKSA-N 1 2 386.858 3.700 20 30 GHEDLO CC(C)[N@H+]1CC[C@@H](NC(=O)c2cccc(C#N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000589482297 854902350 /nfs/dbraw/zinc/90/23/50/854902350.db2.gz QSGNWMHCKDMVJL-MJGOQNOKSA-N 1 2 386.858 3.700 20 30 GHEDLO O=C(C[NH+]1CCC(OC[C@H]2CCCCO2)CC1)Nc1nc2c(s1)CCCC2 ZINC000330211257 862664525 /nfs/dbraw/zinc/66/45/25/862664525.db2.gz CYEUYFPWUXRJNY-MRXNPFEDSA-N 1 2 393.553 3.660 20 30 GHEDLO COc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2)c(Br)c1OC ZINC000055901787 855427710 /nfs/dbraw/zinc/42/77/10/855427710.db2.gz IRIRQPCDAIGPQH-UHFFFAOYSA-N 1 2 375.266 3.970 20 30 GHEDLO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)c(Br)c1OC ZINC000055901787 855427714 /nfs/dbraw/zinc/42/77/14/855427714.db2.gz IRIRQPCDAIGPQH-UHFFFAOYSA-N 1 2 375.266 3.970 20 30 GHEDLO N#Cc1cc(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)ccc1F ZINC000473992792 855557062 /nfs/dbraw/zinc/55/70/62/855557062.db2.gz FGBOUWRNEASCRA-UXHICEINSA-N 1 2 375.407 3.944 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)nn1 ZINC000301833426 855767569 /nfs/dbraw/zinc/76/75/69/855767569.db2.gz JPIBXONAOXAAED-UHFFFAOYSA-N 1 2 391.425 3.538 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC([C@H](O)c3ccc(F)cc3)CC2)c(C#N)c1C ZINC000108386577 855856591 /nfs/dbraw/zinc/85/65/91/855856591.db2.gz PXZYBZIENLVGPO-VBKZILBWSA-N 1 2 399.466 3.680 20 30 GHEDLO CCOc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507800376 856047284 /nfs/dbraw/zinc/04/72/84/856047284.db2.gz AKCCHGLMKQGYSO-KRWDZBQOSA-N 1 2 393.487 3.827 20 30 GHEDLO COc1cc(C#N)ccc1OCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000157369315 856060022 /nfs/dbraw/zinc/06/00/22/856060022.db2.gz SJNARNFAMOYOBU-UHFFFAOYSA-N 1 2 375.812 3.639 20 30 GHEDLO COc1cc(C#N)ccc1OCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000157369315 856060031 /nfs/dbraw/zinc/06/00/31/856060031.db2.gz SJNARNFAMOYOBU-UHFFFAOYSA-N 1 2 375.812 3.639 20 30 GHEDLO CCn1c(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)nc2c1cccc2F ZINC000171378807 856109727 /nfs/dbraw/zinc/10/97/27/856109727.db2.gz YPTDRYKYZSJGHS-UHFFFAOYSA-N 1 2 377.467 3.779 20 30 GHEDLO CCn1c(C[N@H+]2CCCN(c3ccccc3C#N)CC2)nc2c1cccc2F ZINC000171378807 856109728 /nfs/dbraw/zinc/10/97/28/856109728.db2.gz YPTDRYKYZSJGHS-UHFFFAOYSA-N 1 2 377.467 3.779 20 30 GHEDLO N#Cc1ccc(CCC(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)cc1 ZINC000485222290 856242014 /nfs/dbraw/zinc/24/20/14/856242014.db2.gz IYNCSWJJICXIRJ-UHFFFAOYSA-N 1 2 398.470 3.766 20 30 GHEDLO C[C@H](C#N)Sc1nnc(C[NH+]2CCCCC2)n1-c1ccc(OC(F)F)cc1 ZINC000045965844 856301369 /nfs/dbraw/zinc/30/13/69/856301369.db2.gz XBYDJDABYJIVKZ-CYBMUJFWSA-N 1 2 393.463 3.859 20 30 GHEDLO C[C@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000172752841 856590130 /nfs/dbraw/zinc/59/01/30/856590130.db2.gz IGUBFWXXBJUBCS-GOSISDBHSA-N 1 2 387.487 3.805 20 30 GHEDLO C[C@H](c1nc(Cc2ccccc2)no1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000172752841 856590134 /nfs/dbraw/zinc/59/01/34/856590134.db2.gz IGUBFWXXBJUBCS-GOSISDBHSA-N 1 2 387.487 3.805 20 30 GHEDLO COc1ccc(F)c(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)c1 ZINC000507940036 856693702 /nfs/dbraw/zinc/69/37/02/856693702.db2.gz RZHBPOOIOPKXBA-UHFFFAOYSA-N 1 2 376.435 3.576 20 30 GHEDLO COc1cc(C[N@H+](C)CC(=O)Nc2sc3c(c2C#N)CCCCC3)ccc1O ZINC000174541682 857340026 /nfs/dbraw/zinc/34/00/26/857340026.db2.gz DESAVHBNMILYII-UHFFFAOYSA-N 1 2 399.516 3.673 20 30 GHEDLO COc1cc(C[N@@H+](C)CC(=O)Nc2sc3c(c2C#N)CCCCC3)ccc1O ZINC000174541682 857340032 /nfs/dbraw/zinc/34/00/32/857340032.db2.gz DESAVHBNMILYII-UHFFFAOYSA-N 1 2 399.516 3.673 20 30 GHEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]2Cc2c(F)cccc2Cl)cc1 ZINC000521188194 857709626 /nfs/dbraw/zinc/70/96/26/857709626.db2.gz PTYHQYGRODRRFA-QGZVFWFLSA-N 1 2 385.870 3.674 20 30 GHEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]2Cc2c(F)cccc2Cl)cc1 ZINC000521188194 857709637 /nfs/dbraw/zinc/70/96/37/857709637.db2.gz PTYHQYGRODRRFA-QGZVFWFLSA-N 1 2 385.870 3.674 20 30 GHEDLO Cc1c(NC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)cccc1C(F)(F)F ZINC000330332467 862972551 /nfs/dbraw/zinc/97/25/51/862972551.db2.gz OYAQJENXUGYCBC-MLGOLLRUSA-N 1 2 382.386 3.994 20 30 GHEDLO Cc1nc(N2CCOCC2)cc(NC2=C(c3ccccc3)C(=O)c3ccccc32)[nH+]1 ZINC001168403796 858080750 /nfs/dbraw/zinc/08/07/50/858080750.db2.gz SRUREMHXVUWQRL-UHFFFAOYSA-N 1 2 398.466 3.798 20 30 GHEDLO Cc1[nH+]c2c(n1[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)C1)CCCC2 ZINC000330338015 862985830 /nfs/dbraw/zinc/98/58/30/862985830.db2.gz UUADEMDPQUEPRR-FUHWJXTLSA-N 1 2 383.540 3.889 20 30 GHEDLO Cc1nc2c(n1[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)C1)CCCC2 ZINC000330338015 862985838 /nfs/dbraw/zinc/98/58/38/862985838.db2.gz UUADEMDPQUEPRR-FUHWJXTLSA-N 1 2 383.540 3.889 20 30 GHEDLO COc1cc(CNc2[nH+]c3ccccc3n2CCc2ccccn2)ccc1C#N ZINC000443053084 858339923 /nfs/dbraw/zinc/33/99/23/858339923.db2.gz QUXAMMLXUPOAOC-UHFFFAOYSA-N 1 2 383.455 3.588 20 30 GHEDLO C[C@@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000066953695 858372292 /nfs/dbraw/zinc/37/22/92/858372292.db2.gz HTDFTOIEWRYFBR-IAGOWNOFSA-N 1 2 394.475 3.581 20 30 GHEDLO C[C@@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000595514498 858549766 /nfs/dbraw/zinc/54/97/66/858549766.db2.gz HXKBDHPMZGPSDT-XJKSGUPXSA-N 1 2 384.867 3.521 20 30 GHEDLO C[C@@H](c1nc2ccc(Cl)cc2[nH]1)[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000595514498 858549769 /nfs/dbraw/zinc/54/97/69/858549769.db2.gz HXKBDHPMZGPSDT-XJKSGUPXSA-N 1 2 384.867 3.521 20 30 GHEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCc3ccc(Cl)c(Cl)c3C2)cc1 ZINC000595659286 858641231 /nfs/dbraw/zinc/64/12/31/858641231.db2.gz ZXJTWMYFDPTOAA-INIZCTEOSA-N 1 2 391.298 3.857 20 30 GHEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCc3ccc(Cl)c(Cl)c3C2)cc1 ZINC000595659286 858641236 /nfs/dbraw/zinc/64/12/36/858641236.db2.gz ZXJTWMYFDPTOAA-INIZCTEOSA-N 1 2 391.298 3.857 20 30 GHEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH2+][C@@H](C)c2cscn2)c1C#N ZINC000595669236 858642475 /nfs/dbraw/zinc/64/24/75/858642475.db2.gz UKKBZNAZFNPFNT-ZDUSSCGKSA-N 1 2 397.479 3.851 20 30 GHEDLO Cc1ccc([C@@H](CN=Cc2cc3ccccc3[nH]c2=O)[NH+]2CCOCC2)cc1 ZINC000126944755 858666419 /nfs/dbraw/zinc/66/64/19/858666419.db2.gz BBWPYCHQZDLYJM-VCOZGABYSA-N 1 2 375.472 3.741 20 30 GHEDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)[C@H](C)CO1 ZINC000596710419 859024283 /nfs/dbraw/zinc/02/42/83/859024283.db2.gz LUBPIZYXDJKGRY-IAGOWNOFSA-N 1 2 394.475 3.581 20 30 GHEDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)[C@H](C)CO1 ZINC000596710419 859024294 /nfs/dbraw/zinc/02/42/94/859024294.db2.gz LUBPIZYXDJKGRY-IAGOWNOFSA-N 1 2 394.475 3.581 20 30 GHEDLO CC(C)[C@@H]1C[N@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CCCO1 ZINC000550559270 859209124 /nfs/dbraw/zinc/20/91/24/859209124.db2.gz FAAGMKYZZPXHJH-WMZOPIPTSA-N 1 2 375.538 3.624 20 30 GHEDLO CC(C)[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CCCO1 ZINC000550559270 859209132 /nfs/dbraw/zinc/20/91/32/859209132.db2.gz FAAGMKYZZPXHJH-WMZOPIPTSA-N 1 2 375.538 3.624 20 30 GHEDLO CC(C)(C)[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1Br ZINC000132634125 881428775 /nfs/dbraw/zinc/42/87/75/881428775.db2.gz XTKOOUWLJILVQA-IBGZPJMESA-N 1 2 392.341 3.858 20 30 GHEDLO CC(C)(C)[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1Br ZINC000132634125 881428810 /nfs/dbraw/zinc/42/88/10/881428810.db2.gz XTKOOUWLJILVQA-IBGZPJMESA-N 1 2 392.341 3.858 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2F)C[C@H](C)N1Cc1cccc(C#N)c1F ZINC000499766323 859619241 /nfs/dbraw/zinc/61/92/41/859619241.db2.gz PRUGSUHXXULXML-IYBDPMFKSA-N 1 2 380.442 3.803 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2F)C[C@H](C)N1Cc1cccc(C#N)c1F ZINC000499766323 859619244 /nfs/dbraw/zinc/61/92/44/859619244.db2.gz PRUGSUHXXULXML-IYBDPMFKSA-N 1 2 380.442 3.803 20 30 GHEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CC[C@H](C(F)F)C2)c1C#N ZINC000611179395 859634200 /nfs/dbraw/zinc/63/42/00/859634200.db2.gz CFPZUGCJQJIJLQ-AWEZNQCLSA-N 1 2 390.409 3.630 20 30 GHEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CC[C@H](C(F)F)C2)c1C#N ZINC000611179395 859634201 /nfs/dbraw/zinc/63/42/01/859634201.db2.gz CFPZUGCJQJIJLQ-AWEZNQCLSA-N 1 2 390.409 3.630 20 30 GHEDLO C[C@H](C#N)C[N@H+](Cc1sc(N2CCOCC2)nc1-c1ccccc1)C1CC1 ZINC000611276123 859677700 /nfs/dbraw/zinc/67/77/00/859677700.db2.gz UFCJSHQXLDKTTD-MRXNPFEDSA-N 1 2 382.533 3.771 20 30 GHEDLO C[C@H](C#N)C[N@@H+](Cc1sc(N2CCOCC2)nc1-c1ccccc1)C1CC1 ZINC000611276123 859677703 /nfs/dbraw/zinc/67/77/03/859677703.db2.gz UFCJSHQXLDKTTD-MRXNPFEDSA-N 1 2 382.533 3.771 20 30 GHEDLO C=CCn1c(=S)n(CN2CCC[C@@H](n3cc[nH+]c3)C2)nc1-c1cccs1 ZINC000765016861 859744818 /nfs/dbraw/zinc/74/48/18/859744818.db2.gz ZLJNLYPUMISQEL-OAHLLOKOSA-N 1 2 386.550 3.820 20 30 GHEDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000611516556 859796224 /nfs/dbraw/zinc/79/62/24/859796224.db2.gz HWDNWVSSXJJOFB-AWEZNQCLSA-N 1 2 381.436 3.524 20 30 GHEDLO C#Cc1cccc(NC(=S)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000765521698 860061590 /nfs/dbraw/zinc/06/15/90/860061590.db2.gz SWBSELJDHSJKAH-VQTJNVASSA-N 1 2 399.947 3.680 20 30 GHEDLO C#Cc1cccc(NC(=S)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000765521698 860061599 /nfs/dbraw/zinc/06/15/99/860061599.db2.gz SWBSELJDHSJKAH-VQTJNVASSA-N 1 2 399.947 3.680 20 30 GHEDLO C/C(=C/C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1Cl ZINC000727366976 860066189 /nfs/dbraw/zinc/06/61/89/860066189.db2.gz WIDFOWUOMJXFRV-VKAVYKQESA-N 1 2 379.891 3.959 20 30 GHEDLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCCN(c3ccccc3C#N)CC2)c(F)c1 ZINC000123926268 860150812 /nfs/dbraw/zinc/15/08/12/860150812.db2.gz DDFCMIZUXZHJCC-KRWDZBQOSA-N 1 2 380.467 3.545 20 30 GHEDLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCCN(c3ccccc3C#N)CC2)c(F)c1 ZINC000123926268 860150824 /nfs/dbraw/zinc/15/08/24/860150824.db2.gz DDFCMIZUXZHJCC-KRWDZBQOSA-N 1 2 380.467 3.545 20 30 GHEDLO C=CC[N@@H+](CCOC)[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000484671911 860242187 /nfs/dbraw/zinc/24/21/87/860242187.db2.gz MOTIKSBIXULLHC-FQEVSTJZSA-N 1 2 383.448 3.717 20 30 GHEDLO C=CC[N@H+](CCOC)[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000484671911 860242197 /nfs/dbraw/zinc/24/21/97/860242197.db2.gz MOTIKSBIXULLHC-FQEVSTJZSA-N 1 2 383.448 3.717 20 30 GHEDLO C=CCOc1c(Cl)cc(C[NH2+]C(C)(C)c2cc(C(=O)OC)on2)cc1OC ZINC000598973265 860707277 /nfs/dbraw/zinc/70/72/77/860707277.db2.gz CDOSKTQVEZQLPP-UHFFFAOYSA-N 1 2 394.855 3.713 20 30 GHEDLO COc1ccc(C#N)cc1C[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000156323184 860752932 /nfs/dbraw/zinc/75/29/32/860752932.db2.gz MOAUSGANDONIDT-UHFFFAOYSA-N 1 2 383.879 3.568 20 30 GHEDLO COc1ccc(C#N)cc1C[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000156323184 860752939 /nfs/dbraw/zinc/75/29/39/860752939.db2.gz MOAUSGANDONIDT-UHFFFAOYSA-N 1 2 383.879 3.568 20 30 GHEDLO N#Cc1cccc([C@@H]2C[N@H+](Cc3ccc(OC[C@H]4CCCO4)cc3)CCO2)c1 ZINC000509070191 860793298 /nfs/dbraw/zinc/79/32/98/860793298.db2.gz MIWKOHUBWBEPFW-PKTZIBPZSA-N 1 2 378.472 3.690 20 30 GHEDLO N#Cc1cccc([C@@H]2C[N@@H+](Cc3ccc(OC[C@H]4CCCO4)cc3)CCO2)c1 ZINC000509070191 860793303 /nfs/dbraw/zinc/79/33/03/860793303.db2.gz MIWKOHUBWBEPFW-PKTZIBPZSA-N 1 2 378.472 3.690 20 30 GHEDLO N#CCc1ccccc1CC(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000776892518 881593606 /nfs/dbraw/zinc/59/36/06/881593606.db2.gz YMEYKWFFXACZGH-UHFFFAOYSA-N 1 2 398.470 3.570 20 30 GHEDLO Cc1noc([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3nc4ccc(F)cc4s3)C2)n1 ZINC000329022846 860954197 /nfs/dbraw/zinc/95/41/97/860954197.db2.gz IMXYPRYXIQSTIR-KOLCDFICSA-N 1 2 375.429 3.593 20 30 GHEDLO Cc1noc([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3nc4ccc(F)cc4s3)C2)n1 ZINC000329022846 860954212 /nfs/dbraw/zinc/95/42/12/860954212.db2.gz IMXYPRYXIQSTIR-KOLCDFICSA-N 1 2 375.429 3.593 20 30 GHEDLO Cc1cc(C)c(CC(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)c(C)c1 ZINC000329045409 860974051 /nfs/dbraw/zinc/97/40/51/860974051.db2.gz USSGSDMIYAKFSD-AUSIDOKSSA-N 1 2 394.519 3.739 20 30 GHEDLO N#CC1CCC(CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CC1 ZINC000281601240 863262401 /nfs/dbraw/zinc/26/24/01/863262401.db2.gz AIKXOWKEURYJBR-XRUXWCASSA-N 1 2 377.492 3.741 20 30 GHEDLO C[C@H](C#N)CNC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000182844944 863376962 /nfs/dbraw/zinc/37/69/62/863376962.db2.gz LYBZYAFPDAJIBX-OAHLLOKOSA-N 1 2 386.496 3.541 20 30 GHEDLO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000554222180 863922598 /nfs/dbraw/zinc/92/25/98/863922598.db2.gz FQQYTSBOWGHRES-HOCLYGCPSA-N 1 2 392.341 3.838 20 30 GHEDLO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000554222180 863922611 /nfs/dbraw/zinc/92/26/11/863922611.db2.gz FQQYTSBOWGHRES-HOCLYGCPSA-N 1 2 392.341 3.838 20 30 GHEDLO Cc1ccc(NC(=O)C[N@@H+](C)Cc2cn(CCC#N)nc2-c2ccccc2)cc1 ZINC000159156931 864049548 /nfs/dbraw/zinc/04/95/48/864049548.db2.gz NVGXLGHEHJRPIF-UHFFFAOYSA-N 1 2 387.487 3.843 20 30 GHEDLO Cc1ccc(NC(=O)C[N@H+](C)Cc2cn(CCC#N)nc2-c2ccccc2)cc1 ZINC000159156931 864049565 /nfs/dbraw/zinc/04/95/65/864049565.db2.gz NVGXLGHEHJRPIF-UHFFFAOYSA-N 1 2 387.487 3.843 20 30 GHEDLO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000735308993 864712864 /nfs/dbraw/zinc/71/28/64/864712864.db2.gz BEPHXXYYCLOZOH-UHFFFAOYSA-N 1 2 389.927 3.857 20 30 GHEDLO N#CCOc1ccc(Cl)cc1C[N@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000735308993 864712869 /nfs/dbraw/zinc/71/28/69/864712869.db2.gz BEPHXXYYCLOZOH-UHFFFAOYSA-N 1 2 389.927 3.857 20 30 GHEDLO COc1cc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)cc(OC)c1 ZINC000475346987 864825791 /nfs/dbraw/zinc/82/57/91/864825791.db2.gz QFPXPIMXDCTJIT-NRFANRHFSA-N 1 2 385.895 3.740 20 30 GHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCC(F)(F)[C@H](C)C2)c1C#N ZINC000554945795 865190318 /nfs/dbraw/zinc/19/03/18/865190318.db2.gz KFTUTPWTJPOOFE-CQSZACIVSA-N 1 2 386.446 3.881 20 30 GHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CCC(F)(F)[C@H](C)C2)c1C#N ZINC000554945795 865190324 /nfs/dbraw/zinc/19/03/24/865190324.db2.gz KFTUTPWTJPOOFE-CQSZACIVSA-N 1 2 386.446 3.881 20 30 GHEDLO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NCC(F)(C(F)(F)F)C(F)(F)F ZINC000899094387 865257257 /nfs/dbraw/zinc/25/72/57/865257257.db2.gz NEONTYDLSDXPGZ-LLVKDONJSA-N 1 2 397.294 3.881 20 30 GHEDLO CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc3[nH+]c(C)cn3c2)ccc1OC ZINC000738920669 865673713 /nfs/dbraw/zinc/67/37/13/865673713.db2.gz VHFMGSWBRQSVPE-QGZVFWFLSA-N 1 2 393.447 3.654 20 30 GHEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCO[C@H](c4ccco4)C3)sc2C1 ZINC000121340826 865764955 /nfs/dbraw/zinc/76/49/55/865764955.db2.gz WOFKCZKLRJXOGB-KSSFIOAISA-N 1 2 399.516 3.740 20 30 GHEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCO[C@H](c4ccco4)C3)sc2C1 ZINC000121340826 865764963 /nfs/dbraw/zinc/76/49/63/865764963.db2.gz WOFKCZKLRJXOGB-KSSFIOAISA-N 1 2 399.516 3.740 20 30 GHEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000121205180 881966318 /nfs/dbraw/zinc/96/63/18/881966318.db2.gz MIBQKSSNSHFGEI-AWEZNQCLSA-N 1 2 375.394 3.871 20 30 GHEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000121205180 881966328 /nfs/dbraw/zinc/96/63/28/881966328.db2.gz MIBQKSSNSHFGEI-AWEZNQCLSA-N 1 2 375.394 3.871 20 30 GHEDLO N#Cc1ccc(-c2ccc(-c3noc(CC4=CC[NH2+]CC4(F)F)n3)cc2)cc1 ZINC001211900050 866531647 /nfs/dbraw/zinc/53/16/47/866531647.db2.gz XWNFXTBPPJAZOW-UHFFFAOYSA-N 1 2 378.382 3.983 20 30 GHEDLO N#Cc1ccncc1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000553601629 867771404 /nfs/dbraw/zinc/77/14/04/867771404.db2.gz FUIGJSSQEVKIEN-UHFFFAOYSA-N 1 2 389.286 3.654 20 30 GHEDLO C#CCOc1cc(F)ccc1NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000743074103 867796804 /nfs/dbraw/zinc/79/68/04/867796804.db2.gz BINJUCMUDIXNLG-UHFFFAOYSA-N 1 2 388.468 3.924 20 30 GHEDLO N#Cc1ccc(C2=CC[N@H+]([C@@H]3CC(=O)N(c4cccc(Cl)c4)C3=O)CC2)cc1 ZINC000535059146 868061457 /nfs/dbraw/zinc/06/14/57/868061457.db2.gz CARVUWMDUIDONO-HXUWFJFHSA-N 1 2 391.858 3.633 20 30 GHEDLO N#Cc1ccc(C2=CC[N@@H+]([C@@H]3CC(=O)N(c4cccc(Cl)c4)C3=O)CC2)cc1 ZINC000535059146 868061470 /nfs/dbraw/zinc/06/14/70/868061470.db2.gz CARVUWMDUIDONO-HXUWFJFHSA-N 1 2 391.858 3.633 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](CN3C(=O)C[C@@H]3c3ccc(Cl)cc3)CC2)cc1 ZINC000743361948 868113351 /nfs/dbraw/zinc/11/33/51/868113351.db2.gz BBQRMBOOKQUHPD-OAQYLSRUSA-N 1 2 395.890 3.986 20 30 GHEDLO CCOC(=O)[C@H](c1ccccc1)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000553825254 868315714 /nfs/dbraw/zinc/31/57/14/868315714.db2.gz JQWYUYDVRBLROM-NRFANRHFSA-N 1 2 391.471 3.513 20 30 GHEDLO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793482093 882219271 /nfs/dbraw/zinc/21/92/71/882219271.db2.gz FSFQMXJNZCGMNE-UHFFFAOYSA-N 1 2 375.394 3.707 20 30 GHEDLO C[N@H+](Cc1ccc(C(F)(F)F)cc1)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793482093 882219286 /nfs/dbraw/zinc/21/92/86/882219286.db2.gz FSFQMXJNZCGMNE-UHFFFAOYSA-N 1 2 375.394 3.707 20 30 GHEDLO Cc1cc(S(=O)(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)ccc1C#N ZINC000446944537 870754348 /nfs/dbraw/zinc/75/43/48/870754348.db2.gz UPDFSDRTLQLHFQ-UHFFFAOYSA-N 1 2 392.484 3.867 20 30 GHEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)Nc3ccc4c(c3)OC(F)(F)O4)CC2)cc1 ZINC001192948539 870779227 /nfs/dbraw/zinc/77/92/27/870779227.db2.gz YHMSFNWAYFMVRX-UHFFFAOYSA-N 1 2 397.381 3.608 20 30 GHEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)Nc3ccc4c(c3)OC(F)(F)O4)CC2)cc1 ZINC001192948539 870779235 /nfs/dbraw/zinc/77/92/35/870779235.db2.gz YHMSFNWAYFMVRX-UHFFFAOYSA-N 1 2 397.381 3.608 20 30 GHEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1scc(-c2ccccc2Cl)c1C(=O)OC ZINC001193921193 871395002 /nfs/dbraw/zinc/39/50/02/871395002.db2.gz WJPVIBHLKMZUKO-LBPRGKRZSA-N 1 2 390.892 3.747 20 30 GHEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1scc(-c2ccccc2Cl)c1C(=O)OC ZINC001193921193 871395022 /nfs/dbraw/zinc/39/50/22/871395022.db2.gz WJPVIBHLKMZUKO-LBPRGKRZSA-N 1 2 390.892 3.747 20 30 GHEDLO CCOC(=O)[C@H](CCc1ccccc1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC001169746371 871818873 /nfs/dbraw/zinc/81/88/73/871818873.db2.gz YWHRHEYYWVISLV-FQEVSTJZSA-N 1 2 377.488 3.503 20 30 GHEDLO C[C@@H](c1cccc(NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)c1)[NH+]1CCOCC1 ZINC000618753743 871952950 /nfs/dbraw/zinc/95/29/50/871952950.db2.gz GCDCBGHBHJBQEO-KSFYIVLOSA-N 1 2 390.487 3.760 20 30 GHEDLO Cn1c[nH+]cc1-c1cccc(C(=O)Nc2c(C#N)cnnc2-c2ccccc2)c1 ZINC001194887615 872038808 /nfs/dbraw/zinc/03/88/08/872038808.db2.gz UJNMYFVMDHEGSI-UHFFFAOYSA-N 1 2 380.411 3.668 20 30 GHEDLO CCc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)o1 ZINC000477997331 872301875 /nfs/dbraw/zinc/30/18/75/872301875.db2.gz CNWRFIDYIHEIBD-JXFKEZNVSA-N 1 2 386.517 3.961 20 30 GHEDLO CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)o1 ZINC000477997331 872301894 /nfs/dbraw/zinc/30/18/94/872301894.db2.gz CNWRFIDYIHEIBD-JXFKEZNVSA-N 1 2 386.517 3.961 20 30 GHEDLO N#CCCCOc1ccc[nH+]c1NCc1ccccc1I ZINC000767293877 872382194 /nfs/dbraw/zinc/38/21/94/872382194.db2.gz OVTYEBYSEXDGDU-UHFFFAOYSA-N 1 2 393.228 3.981 20 30 GHEDLO C#CC[N@@H+](CC(OCC)OCC)[C@@H]1CCOc2ccc(Br)cc21 ZINC000767787445 872846750 /nfs/dbraw/zinc/84/67/50/872846750.db2.gz JMKNKPFKADMRDE-MRXNPFEDSA-N 1 2 382.298 3.607 20 30 GHEDLO C#CC[N@H+](CC(OCC)OCC)[C@@H]1CCOc2ccc(Br)cc21 ZINC000767787445 872846760 /nfs/dbraw/zinc/84/67/60/872846760.db2.gz JMKNKPFKADMRDE-MRXNPFEDSA-N 1 2 382.298 3.607 20 30 GHEDLO C#CC[N@@H+](CC(=O)Nc1cc(C)ccc1-c1n[nH]c(C)n1)[C@H]1CCc2ccccc21 ZINC000767889046 872917897 /nfs/dbraw/zinc/91/78/97/872917897.db2.gz GHOAITPVLYFYDQ-QFIPXVFZSA-N 1 2 399.498 3.650 20 30 GHEDLO C#CC[N@H+](CC(=O)Nc1cc(C)ccc1-c1n[nH]c(C)n1)[C@H]1CCc2ccccc21 ZINC000767889046 872917900 /nfs/dbraw/zinc/91/79/00/872917900.db2.gz GHOAITPVLYFYDQ-QFIPXVFZSA-N 1 2 399.498 3.650 20 30 GHEDLO COc1ccc(OC)c(C[NH+]2CCN([C@H](C#N)c3ccc(Cl)cc3)CC2)c1 ZINC000619784794 872999675 /nfs/dbraw/zinc/99/96/75/872999675.db2.gz SKGNGRUHLPBHTD-HXUWFJFHSA-N 1 2 385.895 3.740 20 30 GHEDLO CC1(F)CC[NH+](CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)CC1 ZINC001196582919 873240690 /nfs/dbraw/zinc/24/06/90/873240690.db2.gz IROCJPUYVCIMOP-UHFFFAOYSA-N 1 2 394.494 3.990 20 30 GHEDLO C=CC[N@@H+](Cc1ccc(N(CC)Cc2ccccc2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000768981466 873719734 /nfs/dbraw/zinc/71/97/34/873719734.db2.gz HBUKLWFGBSEZRO-HSZRJFAPSA-N 1 2 398.572 3.888 20 30 GHEDLO C=CC[N@H+](Cc1ccc(N(CC)Cc2ccccc2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000768981466 873719743 /nfs/dbraw/zinc/71/97/43/873719743.db2.gz HBUKLWFGBSEZRO-HSZRJFAPSA-N 1 2 398.572 3.888 20 30 GHEDLO C#C[C@H]([NH2+][C@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1)[C@@H]1CCCO1 ZINC000775789479 874063161 /nfs/dbraw/zinc/06/31/61/874063161.db2.gz CXDSUPKGXSBNMW-JBACZVJFSA-N 1 2 398.890 3.799 20 30 GHEDLO C[N@H+](CC(F)F)C1CCN(c2c(C#N)cnc3ccc(OC(F)F)cc32)CC1 ZINC000771153557 875053720 /nfs/dbraw/zinc/05/37/20/875053720.db2.gz HZGMYSYRYKIQST-UHFFFAOYSA-N 1 2 396.388 3.874 20 30 GHEDLO C[N@@H+](CC(F)F)C1CCN(c2c(C#N)cnc3ccc(OC(F)F)cc32)CC1 ZINC000771153557 875053731 /nfs/dbraw/zinc/05/37/31/875053731.db2.gz HZGMYSYRYKIQST-UHFFFAOYSA-N 1 2 396.388 3.874 20 30 GHEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1cc(C)nn1-c1ccc(F)cc1 ZINC000491342632 875494772 /nfs/dbraw/zinc/49/47/72/875494772.db2.gz KARSCWKYWNSJAP-UHFFFAOYSA-N 1 2 382.439 3.582 20 30 GHEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1cc(C)nn1-c1ccc(F)cc1 ZINC000491342632 875494780 /nfs/dbraw/zinc/49/47/80/875494780.db2.gz KARSCWKYWNSJAP-UHFFFAOYSA-N 1 2 382.439 3.582 20 30 GHEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000491411656 875676400 /nfs/dbraw/zinc/67/64/00/875676400.db2.gz ZKKQDRRMLSTGOV-UHFFFAOYSA-N 1 2 378.856 3.619 20 30 GHEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000491411656 875676409 /nfs/dbraw/zinc/67/64/09/875676409.db2.gz ZKKQDRRMLSTGOV-UHFFFAOYSA-N 1 2 378.856 3.619 20 30 GHEDLO CCC[C@H]([NH2+]Cc1cc(C#N)ccc1Br)c1nnc2ccccn21 ZINC000491603621 875837383 /nfs/dbraw/zinc/83/73/83/875837383.db2.gz FIFLYIPLAXLKRQ-INIZCTEOSA-N 1 2 384.281 3.994 20 30 GHEDLO CCCCCCCCCCN1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001201874694 875918477 /nfs/dbraw/zinc/91/84/77/875918477.db2.gz CSZHWXIRJXDJOG-UHFFFAOYSA-N 1 2 375.605 3.587 20 30 GHEDLO C[N@H+](CC(=O)Nc1sccc1C#N)Cc1ccc(OCC(F)(F)F)cc1 ZINC000285386120 912269888 /nfs/dbraw/zinc/26/98/88/912269888.db2.gz SBJYNQAIMZTSGS-UHFFFAOYSA-N 1 2 383.395 3.631 20 30 GHEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)Cc1ccc(OCC(F)(F)F)cc1 ZINC000285386120 912269919 /nfs/dbraw/zinc/26/99/19/912269919.db2.gz SBJYNQAIMZTSGS-UHFFFAOYSA-N 1 2 383.395 3.631 20 30 GHEDLO N#CCn1c(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)cc2ccccc21 ZINC000615487957 877810309 /nfs/dbraw/zinc/81/03/09/877810309.db2.gz MDTLKMUVMUDGAC-UHFFFAOYSA-N 1 2 392.890 3.606 20 30 GHEDLO N#CCn1c(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)cc2ccccc21 ZINC000615487957 877810324 /nfs/dbraw/zinc/81/03/24/877810324.db2.gz MDTLKMUVMUDGAC-UHFFFAOYSA-N 1 2 392.890 3.606 20 30 GHEDLO C#CCC(CC#C)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000788275676 877988990 /nfs/dbraw/zinc/98/89/90/877988990.db2.gz ITBFLYKPAXVPOS-UHFFFAOYSA-N 1 2 394.515 3.861 20 30 GHEDLO C=CCc1cc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)cc(OC)c1OC ZINC000788444179 878071356 /nfs/dbraw/zinc/07/13/56/878071356.db2.gz NLWROOOEJZYHDL-UHFFFAOYSA-N 1 2 391.471 3.607 20 30 GHEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)C1 ZINC000852319585 878235790 /nfs/dbraw/zinc/23/57/90/878235790.db2.gz PTVBRKNNIQTLCL-INIZCTEOSA-N 1 2 394.450 3.642 20 30 GHEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)C1 ZINC000852319585 878235804 /nfs/dbraw/zinc/23/58/04/878235804.db2.gz PTVBRKNNIQTLCL-INIZCTEOSA-N 1 2 394.450 3.642 20 30 GHEDLO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@](C#N)(c3ccccn3)C2)cc1Cl ZINC000852331612 878249592 /nfs/dbraw/zinc/24/95/92/878249592.db2.gz KKSDVTIHOZEDRH-OAQYLSRUSA-N 1 2 398.894 3.630 20 30 GHEDLO COc1ccc(NC(=O)CC[N@H+]2CCC[C@](C#N)(c3ccccn3)C2)cc1Cl ZINC000852331612 878249611 /nfs/dbraw/zinc/24/96/11/878249611.db2.gz KKSDVTIHOZEDRH-OAQYLSRUSA-N 1 2 398.894 3.630 20 30 GHEDLO CC(C)(C#N)CCC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1 ZINC000852499033 878377950 /nfs/dbraw/zinc/37/79/50/878377950.db2.gz XHEUTEYYAJGQEI-IAGOWNOFSA-N 1 2 399.432 3.992 20 30 GHEDLO CC(C)(C#N)CCC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1 ZINC000852499033 878377966 /nfs/dbraw/zinc/37/79/66/878377966.db2.gz XHEUTEYYAJGQEI-IAGOWNOFSA-N 1 2 399.432 3.992 20 30 GHEDLO N#Cc1ccc(OCc2ccc(C(=O)NCCCCNc3cccc[nH+]3)o2)cc1 ZINC000068422811 878488115 /nfs/dbraw/zinc/48/81/15/878488115.db2.gz SWYOWCXUAVBKTN-UHFFFAOYSA-N 1 2 390.443 3.747 20 30 GHEDLO CC(=[NH+]Nc1cc(C#N)ccc1Br)c1ccc(N2CCOCC2)cc1 ZINC000853396087 879001346 /nfs/dbraw/zinc/00/13/46/879001346.db2.gz VDHTZTJSXMULFD-UHFFFAOYSA-N 1 2 399.292 3.993 20 30 GHEDLO C=C(C)[C@H](NC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1)c1ccc(F)c(F)c1 ZINC000185785467 880692075 /nfs/dbraw/zinc/69/20/75/880692075.db2.gz AKQRGBHEAOYDBM-IBGZPJMESA-N 1 2 396.397 3.523 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+](Cc3nc(C(F)(F)F)cs3)CC2)C1=O ZINC001275206875 912615291 /nfs/dbraw/zinc/61/52/91/912615291.db2.gz HPVLACNFQMQDPY-KRWDZBQOSA-N 1 2 387.471 3.943 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+](Cc3nc(C(F)(F)F)cs3)CC2)C1=O ZINC001275206875 912615300 /nfs/dbraw/zinc/61/53/00/912615300.db2.gz HPVLACNFQMQDPY-KRWDZBQOSA-N 1 2 387.471 3.943 20 30 GHEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1sc2ccccc2c1Cl ZINC000532058388 881049173 /nfs/dbraw/zinc/04/91/73/881049173.db2.gz YDALCOQJWNBUMC-ZDUSSCGKSA-N 1 2 383.908 3.927 20 30 GHEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1sc2ccccc2c1Cl ZINC000532058388 881049190 /nfs/dbraw/zinc/04/91/90/881049190.db2.gz YDALCOQJWNBUMC-ZDUSSCGKSA-N 1 2 383.908 3.927 20 30 GHEDLO C=C[C@H](CC(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1)c1ccccc1 ZINC000187166956 881088270 /nfs/dbraw/zinc/08/82/70/881088270.db2.gz PFYLXBNYWXXMHG-OAQYLSRUSA-N 1 2 391.515 3.649 20 30 GHEDLO CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000556968320 881245672 /nfs/dbraw/zinc/24/56/72/881245672.db2.gz HBZWCBLBKFGSJL-QGZVFWFLSA-N 1 2 397.500 3.796 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(c2nc(Cl)c(C#N)s2)[C@@H](C)C1 ZINC000804691165 883252606 /nfs/dbraw/zinc/25/26/06/883252606.db2.gz QFQANAJYHDNRGW-ZDUSSCGKSA-N 1 2 376.913 3.778 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(c2nc(Cl)c(C#N)s2)[C@@H](C)C1 ZINC000804691165 883252624 /nfs/dbraw/zinc/25/26/24/883252624.db2.gz QFQANAJYHDNRGW-ZDUSSCGKSA-N 1 2 376.913 3.778 20 30 GHEDLO C=C(CC)CNC(=O)c1cccnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001129838767 883271774 /nfs/dbraw/zinc/27/17/74/883271774.db2.gz CBHFOCQUFFLMFV-UHFFFAOYSA-N 1 2 398.938 3.753 20 30 GHEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)CN1C[C@H](c2cccc(OC)c2)CC1=O ZINC000760530814 883445811 /nfs/dbraw/zinc/44/58/11/883445811.db2.gz KUJIYCLBLILTDB-HXUWFJFHSA-N 1 2 380.488 3.665 20 30 GHEDLO C=CC[N@H+](Cc1ccc(OC)cc1)CN1C[C@H](c2cccc(OC)c2)CC1=O ZINC000760530814 883445815 /nfs/dbraw/zinc/44/58/15/883445815.db2.gz KUJIYCLBLILTDB-HXUWFJFHSA-N 1 2 380.488 3.665 20 30 GHEDLO C=CC[C@@H](C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)c1ccccc1 ZINC000494891273 884127107 /nfs/dbraw/zinc/12/71/07/884127107.db2.gz PFYRPZNXMJACSB-HXUWFJFHSA-N 1 2 378.520 3.917 20 30 GHEDLO C[C@@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)c1nc(C(C)(C)C)no1 ZINC000191570360 884199742 /nfs/dbraw/zinc/19/97/42/884199742.db2.gz FOOYPGISHHKIBF-OAHLLOKOSA-N 1 2 378.480 3.995 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@](CF)(C(F)(F)F)C1 ZINC001183828442 912835021 /nfs/dbraw/zinc/83/50/21/912835021.db2.gz HARWTOVZIPSMIY-IEBWSBKVSA-N 1 2 397.416 3.663 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@](CF)(C(F)(F)F)C1 ZINC001183828442 912835035 /nfs/dbraw/zinc/83/50/35/912835035.db2.gz HARWTOVZIPSMIY-IEBWSBKVSA-N 1 2 397.416 3.663 20 30 GHEDLO CCN(CCC#N)C(=O)C[N@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000556510036 885175510 /nfs/dbraw/zinc/17/55/10/885175510.db2.gz HQUNFNPJQZQOKQ-UHFFFAOYSA-N 1 2 395.347 3.918 20 30 GHEDLO CCN(CCC#N)C(=O)C[N@@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000556510036 885175517 /nfs/dbraw/zinc/17/55/17/885175517.db2.gz HQUNFNPJQZQOKQ-UHFFFAOYSA-N 1 2 395.347 3.918 20 30 GHEDLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c(F)c1 ZINC000104713282 885571642 /nfs/dbraw/zinc/57/16/42/885571642.db2.gz ZPGUEXNSCBZOGL-INIZCTEOSA-N 1 2 381.451 3.876 20 30 GHEDLO N#Cc1ccc(N2CCN(c3cc[nH+]c4c(Br)cccc34)CC2)cn1 ZINC000808060168 885965047 /nfs/dbraw/zinc/96/50/47/885965047.db2.gz IAIMXPGHLGVJBV-UHFFFAOYSA-N 1 2 394.276 3.591 20 30 GHEDLO COc1ccc([C@H](C)[NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)c(C)c1OC ZINC000287044698 913055323 /nfs/dbraw/zinc/05/53/23/913055323.db2.gz TXOOKZKYCNKPHQ-AWEZNQCLSA-N 1 2 378.432 3.785 20 30 GHEDLO C#CCNC(=O)NC[C@H](c1ccc(SC)cc1)[N@@H+]1CCc2sccc2C1 ZINC000915694240 887323478 /nfs/dbraw/zinc/32/34/78/887323478.db2.gz VTFQBOSSPVKKFQ-GOSISDBHSA-N 1 2 385.558 3.502 20 30 GHEDLO C#CCNC(=O)NC[C@H](c1ccc(SC)cc1)[N@H+]1CCc2sccc2C1 ZINC000915694240 887323486 /nfs/dbraw/zinc/32/34/86/887323486.db2.gz VTFQBOSSPVKKFQ-GOSISDBHSA-N 1 2 385.558 3.502 20 30 GHEDLO Nc1nc(Cl)c(C=[NH+]Nc2ccccc2C(F)(F)F)c(N2CCCC2)n1 ZINC000863950590 887479822 /nfs/dbraw/zinc/47/98/22/887479822.db2.gz CXRJGXABNBEPIE-UHFFFAOYSA-N 1 2 384.793 3.777 20 30 GHEDLO N#CCC[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1 ZINC000132214044 887633587 /nfs/dbraw/zinc/63/35/87/887633587.db2.gz MKUNXJRAOWXSHD-LJQANCHMSA-N 1 2 377.423 3.856 20 30 GHEDLO COc1ccc(C(=O)/C=C/c2ncc(C[NH+](C)C)s2)cc1Br ZINC000794701347 887874171 /nfs/dbraw/zinc/87/41/71/887874171.db2.gz ZYPZSGMYGLZBNM-FNORWQNLSA-N 1 2 381.295 3.872 20 30 GHEDLO CC[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccc(Cl)s1 ZINC000139178314 888432245 /nfs/dbraw/zinc/43/22/45/888432245.db2.gz CLKVHQWOAPARHJ-UHFFFAOYSA-N 1 2 399.907 3.919 20 30 GHEDLO CC[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccc(Cl)s1 ZINC000139178314 888432252 /nfs/dbraw/zinc/43/22/52/888432252.db2.gz CLKVHQWOAPARHJ-UHFFFAOYSA-N 1 2 399.907 3.919 20 30 GHEDLO N#C[C@H](COC(=O)Cc1c[nH+]cn1Cc1ccccc1)Cc1ccc(F)cc1 ZINC000810555225 888614652 /nfs/dbraw/zinc/61/46/52/888614652.db2.gz CDMQFDIJKSUGHS-LJQANCHMSA-N 1 2 377.419 3.539 20 30 GHEDLO Cc1ccc2c(C[NH+]3CCN([C@@H](C#N)c4ccccc4)CC3)cc(=O)oc2c1C ZINC000153849731 888727832 /nfs/dbraw/zinc/72/78/32/888727832.db2.gz MXPVVWUIHKWMAU-QFIPXVFZSA-N 1 2 387.483 3.792 20 30 GHEDLO Cc1cc2oc(=O)cc(C[NH+]3CCN(Cc4ccc(C#N)cc4)CC3)c2cc1C ZINC000916149070 888785935 /nfs/dbraw/zinc/78/59/35/888785935.db2.gz ISZKXRQJGNHYPZ-UHFFFAOYSA-N 1 2 387.483 3.599 20 30 GHEDLO CC[C@H](C)c1ccc(NC(=O)CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000916149010 888786159 /nfs/dbraw/zinc/78/61/59/888786159.db2.gz ABEDTVUAMAGUCV-IBGZPJMESA-N 1 2 390.531 3.828 20 30 GHEDLO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1cc(F)ccc1N1CCC(O)CC1 ZINC000866266433 888807313 /nfs/dbraw/zinc/80/73/13/888807313.db2.gz IIAPZXBTNRSFSE-LSDHHAIUSA-N 1 2 383.467 3.776 20 30 GHEDLO CC(C)(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000454331053 888868859 /nfs/dbraw/zinc/86/88/59/888868859.db2.gz QJKJCYXNGMIPHD-UHFFFAOYSA-N 1 2 377.488 3.598 20 30 GHEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCc2ccc(C#N)c(F)c2)C[C@H](C)O1 ZINC000454497734 889138950 /nfs/dbraw/zinc/13/89/50/889138950.db2.gz CYOGIQCVOUGNNB-HOTGVXAUSA-N 1 2 396.466 3.628 20 30 GHEDLO N#Cc1ccc(OCC[N@H+]2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)cc1 ZINC000287430959 913329801 /nfs/dbraw/zinc/32/98/01/913329801.db2.gz PMHXOFDZRXSBEL-HNNXBMFYSA-N 1 2 380.370 3.652 20 30 GHEDLO N#Cc1ccc(OCC[N@@H+]2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)cc1 ZINC000287430959 913329813 /nfs/dbraw/zinc/32/98/13/913329813.db2.gz PMHXOFDZRXSBEL-HNNXBMFYSA-N 1 2 380.370 3.652 20 30 GHEDLO C=CC[N@@H+](CC(=O)Nc1cc(OC)c(Cl)cc1OC)Cc1cccc(C#N)c1 ZINC000063300336 889562918 /nfs/dbraw/zinc/56/29/18/889562918.db2.gz SMVZUCMDDDYTKX-UHFFFAOYSA-N 1 2 399.878 3.856 20 30 GHEDLO C=CC[N@H+](CC(=O)Nc1cc(OC)c(Cl)cc1OC)Cc1cccc(C#N)c1 ZINC000063300336 889562930 /nfs/dbraw/zinc/56/29/30/889562930.db2.gz SMVZUCMDDDYTKX-UHFFFAOYSA-N 1 2 399.878 3.856 20 30 GHEDLO COc1cc(C[NH2+]Cc2nc(N(C)C)n(-c3ccccc3)c2Cl)ccc1C#N ZINC000811513874 889710431 /nfs/dbraw/zinc/71/04/31/889710431.db2.gz UHWKELLVTYBWRZ-UHFFFAOYSA-N 1 2 395.894 3.762 20 30 GHEDLO CC(C)(Cc1ccc(C#N)cc1)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000454799061 889783060 /nfs/dbraw/zinc/78/30/60/889783060.db2.gz AKSSYTVBBHMMLH-UHFFFAOYSA-N 1 2 376.504 3.829 20 30 GHEDLO COc1ccc2c(c1)C[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)CC2 ZINC000125862530 890212593 /nfs/dbraw/zinc/21/25/93/890212593.db2.gz FSWAAMJQKPPYBI-UHFFFAOYSA-N 1 2 383.879 3.654 20 30 GHEDLO COc1ccc2c(c1)C[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)CC2 ZINC000125862530 890212610 /nfs/dbraw/zinc/21/26/10/890212610.db2.gz FSWAAMJQKPPYBI-UHFFFAOYSA-N 1 2 383.879 3.654 20 30 GHEDLO C=CCSc1ccccc1C(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000871542371 890907456 /nfs/dbraw/zinc/90/74/56/890907456.db2.gz DWISMNCGEGUQLZ-UHFFFAOYSA-N 1 2 390.549 3.501 20 30 GHEDLO N#Cc1ccc(OCCC[NH+]2CCN(c3ncc(Cl)cc3Cl)CC2)cc1 ZINC000917063561 890910844 /nfs/dbraw/zinc/91/08/44/890910844.db2.gz UXOVCAGUTAEORP-UHFFFAOYSA-N 1 2 391.302 3.851 20 30 GHEDLO C=CC[N@@H+](CCc1ccccc1)Cc1nnnn1-c1ccccc1Br ZINC000068970024 893015626 /nfs/dbraw/zinc/01/56/26/893015626.db2.gz NVKFFCLUKKDYMD-UHFFFAOYSA-N 1 2 398.308 3.656 20 30 GHEDLO C=CC[N@H+](CCc1ccccc1)Cc1nnnn1-c1ccccc1Br ZINC000068970024 893015649 /nfs/dbraw/zinc/01/56/49/893015649.db2.gz NVKFFCLUKKDYMD-UHFFFAOYSA-N 1 2 398.308 3.656 20 30 GHEDLO CC(C)c1nc(C#N)c(N[NH2+]C=C(CC(F)(F)F)NC(=O)OC(C)(C)C)o1 ZINC000814821059 893205660 /nfs/dbraw/zinc/20/56/60/893205660.db2.gz UVJMOKLGOWIHQH-JTQLQIEISA-N 1 2 389.378 3.913 20 30 GHEDLO N#Cc1cnc(Cl)c(C[NH+]2CCC([C@@H](O)c3cc(F)ccc3F)CC2)c1 ZINC000877584739 893703171 /nfs/dbraw/zinc/70/31/71/893703171.db2.gz XOWGHJKFRKIVGR-GOSISDBHSA-N 1 2 377.822 3.830 20 30 GHEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1cccc(O)c1Br ZINC000459562323 893780229 /nfs/dbraw/zinc/78/02/29/893780229.db2.gz AZNBXABNIATZPQ-UHFFFAOYSA-N 1 2 375.266 3.675 20 30 GHEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1cccc(O)c1Br ZINC000459562323 893780256 /nfs/dbraw/zinc/78/02/56/893780256.db2.gz AZNBXABNIATZPQ-UHFFFAOYSA-N 1 2 375.266 3.675 20 30 GHEDLO N#Cc1ccc(NC(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)cc1F ZINC000564429455 894973989 /nfs/dbraw/zinc/97/39/89/894973989.db2.gz VTXWUICPEGDQGT-HNNXBMFYSA-N 1 2 388.393 3.762 20 30 GHEDLO N#Cc1ccc(NC(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)cc1F ZINC000564429455 894974000 /nfs/dbraw/zinc/97/40/00/894974000.db2.gz VTXWUICPEGDQGT-HNNXBMFYSA-N 1 2 388.393 3.762 20 30 GHEDLO COC(=O)[C@@](C)(Cc1ccc(Cl)cc1)[NH2+]CCCC1(C#N)CCOCC1 ZINC000879401110 895033377 /nfs/dbraw/zinc/03/33/77/895033377.db2.gz KSSOYRSTCOPNTE-LJQANCHMSA-N 1 2 378.900 3.504 20 30 GHEDLO CC[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1cccc(OC)c1OC ZINC000879464995 895074357 /nfs/dbraw/zinc/07/43/57/895074357.db2.gz YWRLRBXRCGIALT-QGZVFWFLSA-N 1 2 378.432 3.866 20 30 GHEDLO CC(C)(C#N)c1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000032163994 895171126 /nfs/dbraw/zinc/17/11/26/895171126.db2.gz BZVXBSBIOSIYSU-UHFFFAOYSA-N 1 2 375.388 3.834 20 30 GHEDLO Nc1ccc2c(c1)C(=[NH+]Nc1ccc(S(=O)(=O)C(F)F)cc1)CCCC2 ZINC000817326838 895466982 /nfs/dbraw/zinc/46/69/82/895466982.db2.gz XRHJDDOVOQPOKN-UHFFFAOYSA-N 1 2 379.432 3.808 20 30 GHEDLO C[C@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000565284020 895506295 /nfs/dbraw/zinc/50/62/95/895506295.db2.gz MXJCZEZUPAPVHX-HNNXBMFYSA-N 1 2 393.878 3.972 20 30 GHEDLO C[C@H]1CN(c2cccc(Cl)c2)CC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000565284020 895506304 /nfs/dbraw/zinc/50/63/04/895506304.db2.gz MXJCZEZUPAPVHX-HNNXBMFYSA-N 1 2 393.878 3.972 20 30 GHEDLO COC(=O)c1scc(C)c1NC(=O)[C@@H](C)[N@H+](Cc1ccc(C#N)o1)C(C)C ZINC000880215930 895575859 /nfs/dbraw/zinc/57/58/59/895575859.db2.gz KNOQXMOHSYCZAL-CYBMUJFWSA-N 1 2 389.477 3.545 20 30 GHEDLO COC(=O)c1scc(C)c1NC(=O)[C@@H](C)[N@@H+](Cc1ccc(C#N)o1)C(C)C ZINC000880215930 895575870 /nfs/dbraw/zinc/57/58/70/895575870.db2.gz KNOQXMOHSYCZAL-CYBMUJFWSA-N 1 2 389.477 3.545 20 30 GHEDLO N#CCC[C@@H](C#N)C[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000566232102 896192403 /nfs/dbraw/zinc/19/24/03/896192403.db2.gz YSVRWLKLWQQPRT-HZMBPMFUSA-N 1 2 390.203 3.534 20 30 GHEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1[C@H]1CCc2c(Cl)cccc2C1 ZINC001171045786 899376427 /nfs/dbraw/zinc/37/64/27/899376427.db2.gz RQXPDXGZODUSBL-JXFKEZNVSA-N 1 2 386.927 3.611 20 30 GHEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1[C@H]1CCc2c(Cl)cccc2C1 ZINC001171045786 899376442 /nfs/dbraw/zinc/37/64/42/899376442.db2.gz RQXPDXGZODUSBL-JXFKEZNVSA-N 1 2 386.927 3.611 20 30 GHEDLO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1csc(CNC(=O)c3ccccc3)n1)CC2 ZINC000570556188 899383590 /nfs/dbraw/zinc/38/35/90/899383590.db2.gz UUYMYRIIXIAIFX-HXUWFJFHSA-N 1 2 388.496 3.722 20 30 GHEDLO N#Cc1ccncc1C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000570995639 899704936 /nfs/dbraw/zinc/70/49/36/899704936.db2.gz ZGIKKIVBOLJOAB-UHFFFAOYSA-N 1 2 393.450 3.795 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1cnc3c(C)cccn13)CC2 ZINC001136962075 899870227 /nfs/dbraw/zinc/87/02/27/899870227.db2.gz ZNPOFUIDNIYMOF-UHFFFAOYSA-N 1 2 391.519 3.510 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1cnc3c(C)cccn13)CC2 ZINC001136962075 899870232 /nfs/dbraw/zinc/87/02/32/899870232.db2.gz ZNPOFUIDNIYMOF-UHFFFAOYSA-N 1 2 391.519 3.510 20 30 GHEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CC[C@H]2O[C@H](COCc3ccccn3)CC[C@H]21 ZINC001143725278 900445876 /nfs/dbraw/zinc/44/58/76/900445876.db2.gz XMUUZJUUNSRUJP-VLCRHTCISA-N 1 2 397.906 3.945 20 30 GHEDLO N#Cc1cccc(Cl)c1C[N@H+]1CC[C@H]2O[C@H](COCc3ccccn3)CC[C@H]21 ZINC001143725278 900445886 /nfs/dbraw/zinc/44/58/86/900445886.db2.gz XMUUZJUUNSRUJP-VLCRHTCISA-N 1 2 397.906 3.945 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccc(C#N)cn2)[C@@H](Cc2ccccc2)C1 ZINC001144163095 901176437 /nfs/dbraw/zinc/17/64/37/901176437.db2.gz MDZNHURUOQKLIF-NRFANRHFSA-N 1 2 392.503 3.617 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2ccc(C#N)cn2)[C@@H](Cc2ccccc2)C1 ZINC001144163095 901176445 /nfs/dbraw/zinc/17/64/45/901176445.db2.gz MDZNHURUOQKLIF-NRFANRHFSA-N 1 2 392.503 3.617 20 30 GHEDLO CCCCn1c(SC[C@@H](O)c2ccc(C#N)cc2)nnc1[C@H](CC)[NH+](C)C ZINC000126718026 902356722 /nfs/dbraw/zinc/35/67/22/902356722.db2.gz WDZJWLARLUBCEP-ZWKOTPCHSA-N 1 2 387.553 3.788 20 30 GHEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)C1=O ZINC000577589874 902926390 /nfs/dbraw/zinc/92/63/90/902926390.db2.gz TVDHSIUOOUHAAQ-KBPBESRZSA-N 1 2 383.439 3.780 20 30 GHEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)C1=O ZINC000577589874 902926399 /nfs/dbraw/zinc/92/63/99/902926399.db2.gz TVDHSIUOOUHAAQ-KBPBESRZSA-N 1 2 383.439 3.780 20 30 GHEDLO C[C@H](c1cccc(NC(=O)N(C)Cc2ccc(C#N)cc2)c1)[NH+]1CCOCC1 ZINC000264210683 902927531 /nfs/dbraw/zinc/92/75/31/902927531.db2.gz HACNZZSCYFISPD-QGZVFWFLSA-N 1 2 378.476 3.615 20 30 GHEDLO C=CCC(C)(C)CNC(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000578652238 904028341 /nfs/dbraw/zinc/02/83/41/904028341.db2.gz GKPWOJDZDXHLMV-UHFFFAOYSA-N 1 2 380.492 3.543 20 30 GHEDLO CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=O)c1cccc([C@@H](C)C#N)c1 ZINC001148614402 904139817 /nfs/dbraw/zinc/13/98/17/904139817.db2.gz SDKWPIAXSXZMCB-AWEZNQCLSA-N 1 2 375.432 3.718 20 30 GHEDLO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCn2c(COc3cccnc3)cnc2[C@@H]1C ZINC001172307516 905463758 /nfs/dbraw/zinc/46/37/58/905463758.db2.gz HQRQEIYQLKXHTH-MSOLQXFVSA-N 1 2 387.487 3.737 20 30 GHEDLO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCn2c(COc3cccnc3)cnc2[C@@H]1C ZINC001172307516 905463769 /nfs/dbraw/zinc/46/37/69/905463769.db2.gz HQRQEIYQLKXHTH-MSOLQXFVSA-N 1 2 387.487 3.737 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1[C@@H](C)CSc1ccc(Cl)cc1 ZINC001172874381 905952698 /nfs/dbraw/zinc/95/26/98/905952698.db2.gz AJOKLMRGGRRLDM-KBXCAEBGSA-N 1 2 392.956 3.751 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1[C@@H](C)CSc1ccc(Cl)cc1 ZINC001172874381 905952723 /nfs/dbraw/zinc/95/27/23/905952723.db2.gz AJOKLMRGGRRLDM-KBXCAEBGSA-N 1 2 392.956 3.751 20 30 GHEDLO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H]([NH2+]Cc2cccc(-c3ccccn3)c2)C1 ZINC000779413077 906865844 /nfs/dbraw/zinc/86/58/44/906865844.db2.gz RIIRUOBBAIFGAS-AZUAARDMSA-N 1 2 378.476 3.597 20 30 GHEDLO CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3cccc(C#N)c3F)c[nH+]2)CC1 ZINC001174453938 907059274 /nfs/dbraw/zinc/05/92/74/907059274.db2.gz VHFUGGVHOQCTTF-UHFFFAOYSA-N 1 2 397.454 3.893 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@H](C(F)(F)F)O[C@@H](C)C2)cc1 ZINC001175873116 907810662 /nfs/dbraw/zinc/81/06/62/907810662.db2.gz MPGRTYMZSAMFRB-XYJFISCASA-N 1 2 397.441 3.672 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@H](C(F)(F)F)O[C@@H](C)C2)cc1 ZINC001175873116 907810673 /nfs/dbraw/zinc/81/06/73/907810673.db2.gz MPGRTYMZSAMFRB-XYJFISCASA-N 1 2 397.441 3.672 20 30 GHEDLO C=CC[C@@H](C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1)c1ccccc1 ZINC000186420080 907923641 /nfs/dbraw/zinc/92/36/41/907923641.db2.gz NDVUSJPEWGVZQL-JOCHJYFZSA-N 1 2 391.515 3.566 20 30 GHEDLO CCC[C@H](C(=O)OCC)[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001176691475 908213657 /nfs/dbraw/zinc/21/36/57/908213657.db2.gz WEPPCKCSIKIRMO-LPEHRKFASA-N 1 2 397.306 3.821 20 30 GHEDLO CCc1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c1ccccc1OC)C2 ZINC001177008412 908361145 /nfs/dbraw/zinc/36/11/45/908361145.db2.gz JSEDNGAWXFFHSV-SFHVURJKSA-N 1 2 391.515 3.951 20 30 GHEDLO CCc1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c1ccccc1OC)C2 ZINC001177008412 908361158 /nfs/dbraw/zinc/36/11/58/908361158.db2.gz JSEDNGAWXFFHSV-SFHVURJKSA-N 1 2 391.515 3.951 20 30 GHEDLO COc1ccc(CNc2cc(CSCCO)cc[nH+]2)cc1OCCCC#N ZINC000270699322 910664626 /nfs/dbraw/zinc/66/46/26/910664626.db2.gz XSTIEUNUFGJESC-UHFFFAOYSA-N 1 2 387.505 3.610 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccccc2OCc2ccccn2)c1 ZINC000092143408 911421526 /nfs/dbraw/zinc/42/15/26/911421526.db2.gz ISBQFIBVDBWKQB-UHFFFAOYSA-N 1 2 385.467 3.712 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccccc2OCc2ccccn2)c1 ZINC000092143408 911421535 /nfs/dbraw/zinc/42/15/35/911421535.db2.gz ISBQFIBVDBWKQB-UHFFFAOYSA-N 1 2 385.467 3.712 20 30 GHEDLO CC#CCCCCCCCC(=O)N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001182769204 912037612 /nfs/dbraw/zinc/03/76/12/912037612.db2.gz VHXLCXLJJIQQPZ-UHFFFAOYSA-N 1 2 387.572 3.605 20 30 GHEDLO CC#CCCCCCCCC(=O)N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001182769204 912037643 /nfs/dbraw/zinc/03/76/43/912037643.db2.gz VHXLCXLJJIQQPZ-UHFFFAOYSA-N 1 2 387.572 3.605 20 30 GHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCS[C@@H](C)[C@H]2C)c1C#N ZINC000303694643 915062571 /nfs/dbraw/zinc/06/25/71/915062571.db2.gz MYZQGYUUPZFWGI-MSOLQXFVSA-N 1 2 396.560 3.789 20 30 GHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCS[C@@H](C)[C@H]2C)c1C#N ZINC000303694643 915062591 /nfs/dbraw/zinc/06/25/91/915062591.db2.gz MYZQGYUUPZFWGI-MSOLQXFVSA-N 1 2 396.560 3.789 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000796382747 915336286 /nfs/dbraw/zinc/33/62/86/915336286.db2.gz LOFDFYNRHJQRIE-NRFANRHFSA-N 1 2 382.504 3.881 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000796382747 915336305 /nfs/dbraw/zinc/33/63/05/915336305.db2.gz LOFDFYNRHJQRIE-NRFANRHFSA-N 1 2 382.504 3.881 20 30 GHEDLO C[C@H]1C[NH+](CCN(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C[C@H](C)O1 ZINC001191637109 918086661 /nfs/dbraw/zinc/08/66/61/918086661.db2.gz ZYWWFSVSQFTWEJ-OALUTQOASA-N 1 2 381.495 3.809 20 30 GHEDLO N#CCCCn1cc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)c2ccccc21 ZINC000368916640 922970938 /nfs/dbraw/zinc/97/09/38/922970938.db2.gz SFOQBKDYFATGBH-UHFFFAOYSA-N 1 2 387.487 3.739 20 30 GHEDLO C[C@@H]([NH2+]CC1(c2ccccc2)CC(O)(C(F)(F)F)C1)c1cccc(C#N)c1O ZINC000903399227 922989228 /nfs/dbraw/zinc/98/92/28/922989228.db2.gz MFDAVPMEBQEEEJ-WPUWVODUSA-N 1 2 390.405 3.940 20 30 GHEDLO COc1ccccc1-c1noc([C@H](C)[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)n1 ZINC000369671947 923534414 /nfs/dbraw/zinc/53/44/14/923534414.db2.gz KLQKBJVVHTUUDT-GJZGRUSLSA-N 1 2 378.432 3.887 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(Br)c(F)c2)c1 ZINC000748814311 923843253 /nfs/dbraw/zinc/84/32/53/923843253.db2.gz ZDTRYHASZSVNOK-UHFFFAOYSA-N 1 2 375.241 3.640 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(Br)c(F)c2)c1 ZINC000748814311 923843262 /nfs/dbraw/zinc/84/32/62/923843262.db2.gz ZDTRYHASZSVNOK-UHFFFAOYSA-N 1 2 375.241 3.640 20 30 GHEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000372397422 925390909 /nfs/dbraw/zinc/39/09/09/925390909.db2.gz UDIDPGWXDQVFGA-MRXNPFEDSA-N 1 2 382.464 3.761 20 30 GHEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000372397422 925390917 /nfs/dbraw/zinc/39/09/17/925390917.db2.gz UDIDPGWXDQVFGA-MRXNPFEDSA-N 1 2 382.464 3.761 20 30 GHEDLO C[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1nc(-c2ccc(Cl)cc2)no1 ZINC000372815314 925725052 /nfs/dbraw/zinc/72/50/52/925725052.db2.gz ODLVTNGNLSPHEU-LBPRGKRZSA-N 1 2 378.823 3.760 20 30 GHEDLO CN1CCCc2cc(C=[NH+]Nc3ccc(S(=O)(=O)C(F)F)cc3)ccc21 ZINC000726424693 926657045 /nfs/dbraw/zinc/65/70/45/926657045.db2.gz DSJAQMJJDXDWRK-UHFFFAOYSA-N 1 2 379.432 3.511 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411949961 926937595 /nfs/dbraw/zinc/93/75/95/926937595.db2.gz QTFFUNXTWTYVLN-KPFFTGBYSA-N 1 2 395.528 3.827 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411949961 926937608 /nfs/dbraw/zinc/93/76/08/926937608.db2.gz QTFFUNXTWTYVLN-KPFFTGBYSA-N 1 2 395.528 3.827 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411949965 926938039 /nfs/dbraw/zinc/93/80/39/926938039.db2.gz QTFFUNXTWTYVLN-YVWKXTFCSA-N 1 2 395.528 3.827 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411949965 926938048 /nfs/dbraw/zinc/93/80/48/926938048.db2.gz QTFFUNXTWTYVLN-YVWKXTFCSA-N 1 2 395.528 3.827 20 30 GHEDLO C#CCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC1 ZINC000749657236 927224984 /nfs/dbraw/zinc/22/49/84/927224984.db2.gz JNOURHMKTUKDRT-UHFFFAOYSA-N 1 2 395.484 3.527 20 30 GHEDLO CCOCCCn1c(N[NH+]=C(C)c2ccc(N)cc2C)nc2ccccc2c1=O ZINC000758100804 929919004 /nfs/dbraw/zinc/91/90/04/929919004.db2.gz ZKSCHZUYPIOOPI-UHFFFAOYSA-N 1 2 393.491 3.550 20 30 GHEDLO CCCC[C@H](ON=C(C)C)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000780979218 930659638 /nfs/dbraw/zinc/65/96/38/930659638.db2.gz PDQACWAHSHJVPQ-SFHVURJKSA-N 1 2 389.544 3.528 20 30 GHEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccc(SC(F)(F)F)c1 ZINC000781335983 930801134 /nfs/dbraw/zinc/80/11/34/930801134.db2.gz KTZZPOIISJRUCD-CYBMUJFWSA-N 1 2 393.438 3.671 20 30 GHEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccc(SC(F)(F)F)c1 ZINC000781335983 930801143 /nfs/dbraw/zinc/80/11/43/930801143.db2.gz KTZZPOIISJRUCD-CYBMUJFWSA-N 1 2 393.438 3.671 20 30 GHEDLO Cc1noc(C2(C)CC[NH+](CC(=O)/C=C3/N(C)c4ccccc4C3(C)C)CC2)n1 ZINC000781350571 930807235 /nfs/dbraw/zinc/80/72/35/930807235.db2.gz OQWVUONCTYLNFU-XSFVSMFZSA-N 1 2 394.519 3.612 20 30 GHEDLO NC(=[NH+]OCCOCC(F)(F)F)c1ccc(COc2ccccc2F)cc1 ZINC000782321577 931175656 /nfs/dbraw/zinc/17/56/56/931175656.db2.gz QAPWDVBUAYHMSX-UHFFFAOYSA-N 1 2 386.345 3.621 20 30 GHEDLO Cc1ccc(-c2nnc(CO[NH+]=C(N)c3ccc(Br)cc3)o2)cc1 ZINC000782949790 931373088 /nfs/dbraw/zinc/37/30/88/931373088.db2.gz LQHFWMQZXJRFCI-UHFFFAOYSA-N 1 2 387.237 3.645 20 30 GHEDLO C#Cc1cccc(N(C(C)C)S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)c1 ZINC000784041245 931764767 /nfs/dbraw/zinc/76/47/67/931764767.db2.gz VSCUMKPHNUODSI-UHFFFAOYSA-N 1 2 379.485 3.516 20 30 GHEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[NH+]1CCC(Cc2cccc(OC)c2)CC1 ZINC000784309768 931851977 /nfs/dbraw/zinc/85/19/77/931851977.db2.gz ZJBKVKSPGMPPMR-QFIPXVFZSA-N 1 2 378.472 3.736 20 30 GHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)OC[C@@H](C#N)Cc1ccc(F)cc1 ZINC000796670016 932024829 /nfs/dbraw/zinc/02/48/29/932024829.db2.gz KZZTVWSDAYXNFN-CQSZACIVSA-N 1 2 387.361 3.688 20 30 GHEDLO C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000559004919 932368114 /nfs/dbraw/zinc/36/81/14/932368114.db2.gz UBUGWEXYRPTFJM-UHFFFAOYSA-N 1 2 394.910 3.896 20 30 GHEDLO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2cc(Cl)cc3cccnc32)[C@@H](C#N)C1 ZINC000798274811 932587407 /nfs/dbraw/zinc/58/74/07/932587407.db2.gz KUVQITHTHANJTO-RDJZCZTQSA-N 1 2 386.883 3.737 20 30 GHEDLO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1Br ZINC000798274352 932588315 /nfs/dbraw/zinc/58/83/15/932588315.db2.gz CPVLNAOGJORLAW-GDBMZVCRSA-N 1 2 394.313 3.606 20 30 GHEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H]([NH2+]Cc2ccc(Cl)c3cccnc23)C1 ZINC000798275136 932588810 /nfs/dbraw/zinc/58/88/10/932588810.db2.gz NTTFNMDIJNYPBE-PBHICJAKSA-N 1 2 386.883 3.737 20 30 GHEDLO C#CCOc1cccc(Cl)c1C[NH2+]Cc1ccncc1OCC(F)(F)F ZINC000798504749 932678813 /nfs/dbraw/zinc/67/88/13/932678813.db2.gz ROUHLKNRLXSCJX-UHFFFAOYSA-N 1 2 384.785 3.978 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799194883 932909630 /nfs/dbraw/zinc/90/96/30/932909630.db2.gz ABFVAQHHDZKSJB-DLBZAZTESA-N 1 2 380.517 3.761 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799194883 932909634 /nfs/dbraw/zinc/90/96/34/932909634.db2.gz ABFVAQHHDZKSJB-DLBZAZTESA-N 1 2 380.517 3.761 20 30 GHEDLO C[N@H+](CC(=O)NCC(F)(F)F)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000560173357 933111164 /nfs/dbraw/zinc/11/11/64/933111164.db2.gz FKWAOIYTKWJFQU-UHFFFAOYSA-N 1 2 396.253 3.835 20 30 GHEDLO C[N@@H+](CC(=O)NCC(F)(F)F)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000560173357 933111168 /nfs/dbraw/zinc/11/11/68/933111168.db2.gz FKWAOIYTKWJFQU-UHFFFAOYSA-N 1 2 396.253 3.835 20 30 GHEDLO Cc1ccn(C[NH+]2CCC(c3ccc(Br)cc3)CC2)c(=O)c1C#N ZINC000799944469 933182274 /nfs/dbraw/zinc/18/22/74/933182274.db2.gz ZNFJSWULCXFDBQ-UHFFFAOYSA-N 1 2 386.293 3.628 20 30 GHEDLO C=CCOc1ccccc1C[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000560807127 933576272 /nfs/dbraw/zinc/57/62/72/933576272.db2.gz GTJVMROTMZEWNG-UHFFFAOYSA-N 1 2 399.292 3.884 20 30 GHEDLO N#Cc1cc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)nc2ccccc12 ZINC000561838498 934495100 /nfs/dbraw/zinc/49/51/00/934495100.db2.gz AWCXGTJRXRKURR-OAQYLSRUSA-N 1 2 388.496 3.835 20 30 GHEDLO CSc1[nH]c(=O)c(C(=O)N(C[C@@H](C)[NH+](C)C)c2c(C)cccc2C)cc1C#N ZINC001121222568 934592994 /nfs/dbraw/zinc/59/29/94/934592994.db2.gz XGCJWWBTZWHSRG-OAHLLOKOSA-N 1 2 398.532 3.595 20 30 GHEDLO C[C@H]1CCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2C)CC12CCCCC2 ZINC001121324467 934627703 /nfs/dbraw/zinc/62/77/03/934627703.db2.gz RCJQICFZSSTNLN-SFHVURJKSA-N 1 2 384.572 3.705 20 30 GHEDLO C=CCn1c([C@H]2C[C@@H]2OCCCC)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001121566303 934699864 /nfs/dbraw/zinc/69/98/64/934699864.db2.gz REEMDFJLYAAXAJ-OALUTQOASA-N 1 2 396.539 3.613 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N(C)[C@H]1CCC[C@@H]1C#N ZINC001121582200 934705818 /nfs/dbraw/zinc/70/58/18/934705818.db2.gz SFCCTXUGAXFVFG-SXLOBPIMSA-N 1 2 378.524 3.786 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N(C)[C@H]1CCC[C@@H]1C#N ZINC001121582200 934705823 /nfs/dbraw/zinc/70/58/23/934705823.db2.gz SFCCTXUGAXFVFG-SXLOBPIMSA-N 1 2 378.524 3.786 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)Cc1ccccc1C ZINC001121584804 934707904 /nfs/dbraw/zinc/70/79/04/934707904.db2.gz XHWMDOYUCQWECF-UHFFFAOYSA-N 1 2 378.524 3.502 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@@H](C/C=C\C)C1 ZINC001121584822 934707947 /nfs/dbraw/zinc/70/79/47/934707947.db2.gz YCSZJIGAGLNMFU-SIEMBAAWSA-N 1 2 382.556 3.740 20 30 GHEDLO COc1ccc(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3)CC2)c(C#N)c1 ZINC001137698360 935729958 /nfs/dbraw/zinc/72/99/58/935729958.db2.gz UAGMUYCTYHWUFT-UHFFFAOYSA-N 1 2 375.394 3.908 20 30 GHEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)cc1 ZINC000468110112 1015276938 /nfs/dbraw/zinc/27/69/38/1015276938.db2.gz UETQOZPRJXVYPE-JOCHJYFZSA-N 1 2 389.499 3.714 20 30 GHEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)cc1 ZINC000468110112 1015276947 /nfs/dbraw/zinc/27/69/47/1015276947.db2.gz UETQOZPRJXVYPE-JOCHJYFZSA-N 1 2 389.499 3.714 20 30 GHEDLO CCOc1cc(CNc2cc(CC#N)cc[nH+]2)cc(Br)c1OC ZINC000545219724 1015669968 /nfs/dbraw/zinc/66/99/68/1015669968.db2.gz IKLPSLUOKMLHOF-UHFFFAOYSA-N 1 2 376.254 3.930 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3cccc(Cl)c3Cl)CC2)cc1 ZINC000469115242 1016507461 /nfs/dbraw/zinc/50/74/61/1016507461.db2.gz VHEMRVAVBQCULC-UHFFFAOYSA-N 1 2 388.298 3.752 20 30 GHEDLO CC[C@H]([NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1)c1cccc(C#N)c1O ZINC000924677196 1017004441 /nfs/dbraw/zinc/00/44/41/1017004441.db2.gz KBYLWASHVPMHLE-FTRWYGJKSA-N 1 2 380.492 3.513 20 30 GHEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2c(SC(C)C)nc3sccn23)C1=O ZINC001277175672 1032244151 /nfs/dbraw/zinc/24/41/51/1032244151.db2.gz KJFFCNLXFQFEAM-IBGZPJMESA-N 1 2 390.578 3.649 20 30 GHEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2c(SC(C)C)nc3sccn23)C1=O ZINC001277175672 1032244154 /nfs/dbraw/zinc/24/41/54/1032244154.db2.gz KJFFCNLXFQFEAM-IBGZPJMESA-N 1 2 390.578 3.649 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(CCC#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000932567245 1018467734 /nfs/dbraw/zinc/46/77/34/1018467734.db2.gz SIBVTADEVBFBJA-VQTJNVASSA-N 1 2 384.430 3.988 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)Nc2ccc(CCC#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000932567245 1018467743 /nfs/dbraw/zinc/46/77/43/1018467743.db2.gz SIBVTADEVBFBJA-VQTJNVASSA-N 1 2 384.430 3.988 20 30 GHEDLO C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(C(F)(F)F)cnc1Cl)CC2 ZINC001277274911 1032803742 /nfs/dbraw/zinc/80/37/42/1032803742.db2.gz RNKXOVYJGWURDO-CQSZACIVSA-N 1 2 387.833 3.658 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@@H+]2C[C@@H](C)OC3(CCOCC3)C2)cc1OC ZINC000628255050 1020683056 /nfs/dbraw/zinc/68/30/56/1020683056.db2.gz ZLYJFODVDUJDHA-OAHLLOKOSA-N 1 2 381.900 3.683 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@H+]2C[C@@H](C)OC3(CCOCC3)C2)cc1OC ZINC000628255050 1020683063 /nfs/dbraw/zinc/68/30/63/1020683063.db2.gz ZLYJFODVDUJDHA-OAHLLOKOSA-N 1 2 381.900 3.683 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@H+]2C[C@@H](CC)O[C@@]3(CCOC3)C2)cc1OC ZINC000628256151 1020684517 /nfs/dbraw/zinc/68/45/17/1020684517.db2.gz LBOYDCSBXCEVJE-UZLBHIALSA-N 1 2 381.900 3.683 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@@H+]2C[C@@H](CC)O[C@@]3(CCOC3)C2)cc1OC ZINC000628256151 1020684524 /nfs/dbraw/zinc/68/45/24/1020684524.db2.gz LBOYDCSBXCEVJE-UZLBHIALSA-N 1 2 381.900 3.683 20 30 GHEDLO N#Cc1ccc(Cl)c(C[N@H+]2Cc3cncn3C[C@H](COc3ccccn3)C2)c1 ZINC001140600929 1022047880 /nfs/dbraw/zinc/04/78/80/1022047880.db2.gz BAIOXDUICXRZLO-QGZVFWFLSA-N 1 2 393.878 3.514 20 30 GHEDLO N#Cc1ccc(Cl)c(C[N@@H+]2Cc3cncn3C[C@H](COc3ccccn3)C2)c1 ZINC001140600929 1022047892 /nfs/dbraw/zinc/04/78/92/1022047892.db2.gz BAIOXDUICXRZLO-QGZVFWFLSA-N 1 2 393.878 3.514 20 30 GHEDLO COc1cc(C#N)ccc1OCCCC(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000754493370 1022738572 /nfs/dbraw/zinc/73/85/72/1022738572.db2.gz LQQZQKSNJQFMFQ-UHFFFAOYSA-N 1 2 391.427 3.655 20 30 GHEDLO Cc1nc(SCC(=O)OCc2ccc(-n3cc[nH+]c3)cc2)c(C#N)c(C)c1C ZINC000754499116 1022741808 /nfs/dbraw/zinc/74/18/08/1022741808.db2.gz VQWZTXVQJZZLCJ-UHFFFAOYSA-N 1 2 392.484 3.900 20 30 GHEDLO CC(C)C[C@@H](C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1)n1cc[nH+]c1 ZINC001156561957 1033104179 /nfs/dbraw/zinc/10/41/79/1033104179.db2.gz PDZPBODUBJMFLJ-VQTJNVASSA-N 1 2 399.926 3.533 20 30 GHEDLO C[C@H]1C[N@H+](Cc2sc(N)c(C#N)c2Cl)CCCN1C(=O)OC(C)(C)C ZINC001141112822 1023529594 /nfs/dbraw/zinc/52/95/94/1023529594.db2.gz NSXKSHZFYAHGPD-NSHDSACASA-N 1 2 384.933 3.687 20 30 GHEDLO C[C@H]1C[N@@H+](Cc2sc(N)c(C#N)c2Cl)CCCN1C(=O)OC(C)(C)C ZINC001141112822 1023529602 /nfs/dbraw/zinc/52/96/02/1023529602.db2.gz NSXKSHZFYAHGPD-NSHDSACASA-N 1 2 384.933 3.687 20 30 GHEDLO C[C@@H](c1ccc(F)cc1)[NH+]1CCN(Cc2sc(N)c(C#N)c2Cl)CC1 ZINC001141116233 1023534617 /nfs/dbraw/zinc/53/46/17/1023534617.db2.gz UWDQYIVSQNLSBR-LBPRGKRZSA-N 1 2 378.904 3.873 20 30 GHEDLO Cc1nc(CN2C(=O)CCC23CC[NH+](Cc2ccc(F)cc2C#N)CC3)cs1 ZINC001141163711 1023989606 /nfs/dbraw/zinc/98/96/06/1023989606.db2.gz PNUQLIJMMPSAJA-UHFFFAOYSA-N 1 2 398.507 3.620 20 30 GHEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1cnc3[nH]ccc3c1Cl)CCO2 ZINC001138932043 1025603443 /nfs/dbraw/zinc/60/34/43/1025603443.db2.gz OONVEKDUOCEWCX-OXJNMPFZSA-N 1 2 375.900 3.742 20 30 GHEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1cnc3[nH]ccc3c1Cl)CCO2 ZINC001138932043 1025603467 /nfs/dbraw/zinc/60/34/67/1025603467.db2.gz OONVEKDUOCEWCX-OXJNMPFZSA-N 1 2 375.900 3.742 20 30 GHEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1ccc(OC)c(OC)c1Cl)CCO2 ZINC001139115962 1025924538 /nfs/dbraw/zinc/92/45/38/1025924538.db2.gz KCDDXSDEMBLIQT-DYESRHJHSA-N 1 2 395.927 3.931 20 30 GHEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1ccc(OC)c(OC)c1Cl)CCO2 ZINC001139115962 1025924557 /nfs/dbraw/zinc/92/45/57/1025924557.db2.gz KCDDXSDEMBLIQT-DYESRHJHSA-N 1 2 395.927 3.931 20 30 GHEDLO COC(=O)c1ncc(NC(=[NH2+])c2ccc(C(F)(F)F)cc2)cc1C(F)(F)F ZINC001163680042 1026280553 /nfs/dbraw/zinc/28/05/53/1026280553.db2.gz IEMOVIIRABGGBI-UHFFFAOYSA-N 1 2 391.271 3.943 20 30 GHEDLO N#Cc1ccc(C(F)(F)N2CC[NH+](C/C=C/c3ccccc3)CC2)nc1Cl ZINC001163845338 1026337977 /nfs/dbraw/zinc/33/79/77/1026337977.db2.gz KPUXGCJOLCTQMT-QPJJXVBHSA-N 1 2 388.849 3.987 20 30 GHEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cccc(Br)c1F)C2 ZINC001139532692 1026391127 /nfs/dbraw/zinc/39/11/27/1026391127.db2.gz MBRMDYHQICYPHX-QAPCUYQASA-N 1 2 384.289 3.914 20 30 GHEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1cccc(Br)c1F)C2 ZINC001139532692 1026391140 /nfs/dbraw/zinc/39/11/40/1026391140.db2.gz MBRMDYHQICYPHX-QAPCUYQASA-N 1 2 384.289 3.914 20 30 GHEDLO N#Cc1c(Cl)cccc1C[N@@H+]1CCC[C@@]2(C[C@@H](Oc3ccccn3)CO2)C1 ZINC001139691075 1026543347 /nfs/dbraw/zinc/54/33/47/1026543347.db2.gz QZBVFTPSUPSCIT-DYESRHJHSA-N 1 2 383.879 3.809 20 30 GHEDLO N#Cc1c(Cl)cccc1C[N@H+]1CCC[C@@]2(C[C@@H](Oc3ccccn3)CO2)C1 ZINC001139691075 1026543353 /nfs/dbraw/zinc/54/33/53/1026543353.db2.gz QZBVFTPSUPSCIT-DYESRHJHSA-N 1 2 383.879 3.809 20 30 GHEDLO N#Cc1ccc2[nH]cc(C[NH+]3CCN(C(=O)c4ccc(Cl)cc4)CC3)c2c1 ZINC001140116114 1026898380 /nfs/dbraw/zinc/89/83/80/1026898380.db2.gz RTJRSLCDGPMQBU-UHFFFAOYSA-N 1 2 378.863 3.651 20 30 GHEDLO Cc1c(F)cc[nH+]c1N1CCC[C@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001166456314 1027005652 /nfs/dbraw/zinc/00/56/52/1027005652.db2.gz WPQGTUZCPQYCOO-QFIPXVFZSA-N 1 2 380.467 3.524 20 30 GHEDLO CC(C)(C)OC(=O)NC1CCN(c2[nH+]cccc2Nc2cncc(C#N)c2)CC1 ZINC001210083018 1027335586 /nfs/dbraw/zinc/33/55/86/1027335586.db2.gz DILKOXZMFKHODY-UHFFFAOYSA-N 1 2 394.479 3.585 20 30 GHEDLO CC(C)(C)OC(=O)NC1CCN(c2ccc(Nc3cccnc3C#N)c[nH+]2)CC1 ZINC001210142803 1027357235 /nfs/dbraw/zinc/35/72/35/1027357235.db2.gz JTRJATLTLXFMKK-UHFFFAOYSA-N 1 2 394.479 3.585 20 30 GHEDLO Cc1ccc(Nc2cncnc2[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(C#N)c1 ZINC001210563663 1027557594 /nfs/dbraw/zinc/55/75/94/1027557594.db2.gz QQCCFVHMUWVUOP-QFIPXVFZSA-N 1 2 385.471 3.974 20 30 GHEDLO Cc1ccc(Nc2cncnc2[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(C#N)c1 ZINC001210563663 1027557606 /nfs/dbraw/zinc/55/76/06/1027557606.db2.gz QQCCFVHMUWVUOP-QFIPXVFZSA-N 1 2 385.471 3.974 20 30 GHEDLO CSc1nc(C[N@@H+]2CCC[C@]3(CCN3C(=O)OC(C)(C)C)C2)ccc1C#N ZINC001141931991 1027691180 /nfs/dbraw/zinc/69/11/80/1027691180.db2.gz PYMGZQACCYQGMC-FQEVSTJZSA-N 1 2 388.537 3.651 20 30 GHEDLO CSc1nc(C[N@H+]2CCC[C@]3(CCN3C(=O)OC(C)(C)C)C2)ccc1C#N ZINC001141931991 1027691193 /nfs/dbraw/zinc/69/11/93/1027691193.db2.gz PYMGZQACCYQGMC-FQEVSTJZSA-N 1 2 388.537 3.651 20 30 GHEDLO N#Cc1ccc(CN2CCO[C@@H](c3[nH+]cn4c3cccc4Br)C2)cc1 ZINC001203900287 1027692559 /nfs/dbraw/zinc/69/25/59/1027692559.db2.gz YGKGOXZUSLPLIZ-QGZVFWFLSA-N 1 2 397.276 3.542 20 30 GHEDLO N#Cc1ccc(C[N@H+]2Cc3c(cnn3CC3CC3)[C@@H](COCC3CC3)C2)cc1 ZINC001203901146 1027694278 /nfs/dbraw/zinc/69/42/78/1027694278.db2.gz GULNTMSKIUTMKX-OAQYLSRUSA-N 1 2 376.504 3.691 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2Cc3c(cnn3CC3CC3)[C@@H](COCC3CC3)C2)cc1 ZINC001203901146 1027694287 /nfs/dbraw/zinc/69/42/87/1027694287.db2.gz GULNTMSKIUTMKX-OAQYLSRUSA-N 1 2 376.504 3.691 20 30 GHEDLO C=CCc1cc(C[NH2+][C@@H](C)c2ncc(C(=O)OC)s2)cc(OC)c1OC ZINC000840725266 1027764461 /nfs/dbraw/zinc/76/44/61/1027764461.db2.gz FVFHQGDPVJLBFF-LBPRGKRZSA-N 1 2 376.478 3.526 20 30 GHEDLO CC(C)(C)OC(=O)N1CCN(c2[nH+]cccc2Nc2ccc(C#N)c(F)c2)CC1 ZINC001204036828 1027825375 /nfs/dbraw/zinc/82/53/75/1027825375.db2.gz MPPXLUXCACHBNU-UHFFFAOYSA-N 1 2 397.454 3.893 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1CCN(c2[nH+]cccc2Nc2ccc(C#N)c(F)c2)C1 ZINC001204059603 1027843573 /nfs/dbraw/zinc/84/35/73/1027843573.db2.gz PSQKQAYTHNHUOR-MRXNPFEDSA-N 1 2 397.454 3.939 20 30 GHEDLO C=CCOC[C@@H]1C[N@H+](Cc2ccnc3ccccc23)Cc2nnn(CC3CC3)c21 ZINC001204084926 1027860007 /nfs/dbraw/zinc/86/00/07/1027860007.db2.gz QCWUYIZTULODLV-IBGZPJMESA-N 1 2 389.503 3.538 20 30 GHEDLO C=CCOC[C@@H]1C[N@@H+](Cc2ccnc3ccccc23)Cc2nnn(CC3CC3)c21 ZINC001204084926 1027860024 /nfs/dbraw/zinc/86/00/24/1027860024.db2.gz QCWUYIZTULODLV-IBGZPJMESA-N 1 2 389.503 3.538 20 30 GHEDLO COC1(C(F)(F)F)CC[NH+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)CC1 ZINC000842159892 1029115577 /nfs/dbraw/zinc/11/55/77/1029115577.db2.gz CQVRKXYILYMHEP-UHFFFAOYSA-N 1 2 397.441 3.593 20 30 GHEDLO N#Cc1ccc(F)c(C[NH+]2CCC(N3Cc4ccccc4NC3=O)CC2)c1F ZINC001143173204 1029882334 /nfs/dbraw/zinc/88/23/34/1029882334.db2.gz RKFOTNHHQOAJLR-UHFFFAOYSA-N 1 2 382.414 3.849 20 30 GHEDLO N#Cc1cc(NCc2ccc(OCC[NH+]3CCOCC3)cc2)ccc1C1CC1 ZINC001461705813 1069690290 /nfs/dbraw/zinc/69/02/90/1069690290.db2.gz CDTUJWWNZQBSSM-UHFFFAOYSA-N 1 2 377.488 3.759 20 30 GHEDLO N#Cc1cc(C[N@@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)ccc1F ZINC001205467405 1033425463 /nfs/dbraw/zinc/42/54/63/1033425463.db2.gz PUPZDLSSBMVMHV-SIKLNZKXSA-N 1 2 381.451 3.542 20 30 GHEDLO N#Cc1cc(C[N@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)ccc1F ZINC001205467405 1033425468 /nfs/dbraw/zinc/42/54/68/1033425468.db2.gz PUPZDLSSBMVMHV-SIKLNZKXSA-N 1 2 381.451 3.542 20 30 GHEDLO CCOC(=O)[C@H]1CCC[C@@H]1Oc1nc(C)c(-c2ccc3[nH+]ccn3c2)cc1C#N ZINC001229765596 1033696211 /nfs/dbraw/zinc/69/62/11/1033696211.db2.gz FKMFBVXQJKRVIK-HKUYNNGSSA-N 1 2 390.443 3.687 20 30 GHEDLO Cc1nc(O[C@H](C)C(=O)OC(C)(C)C)c(C#N)cc1-c1ccc2[nH+]ccn2c1 ZINC001229767606 1033699012 /nfs/dbraw/zinc/69/90/12/1033699012.db2.gz FBLMBTWBSYSOHX-CQSZACIVSA-N 1 2 378.432 3.685 20 30 GHEDLO Cc1cn2c(n1)[C@H](Oc1nc(C)c(-c3ccc4[nH+]ccn4c3)cc1C#N)CCC2 ZINC001229769926 1033700746 /nfs/dbraw/zinc/70/07/46/1033700746.db2.gz VBZSMQZMOOXFJW-LJQANCHMSA-N 1 2 384.443 3.995 20 30 GHEDLO CC(C)(C)OC(=O)NCc1cccc(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)c1 ZINC001206195628 1033760577 /nfs/dbraw/zinc/76/05/77/1033760577.db2.gz YUHLPFFZMOSJIX-UHFFFAOYSA-N 1 2 393.487 3.846 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2ccc(C(=O)c3ccncc3)cc2)C1 ZINC001231021460 1034347673 /nfs/dbraw/zinc/34/76/73/1034347673.db2.gz WXETVCWYNILUCJ-HSZRJFAPSA-N 1 2 383.451 3.838 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2ccc(C(=O)c3ccncc3)cc2)C1 ZINC001231021460 1034347684 /nfs/dbraw/zinc/34/76/84/1034347684.db2.gz WXETVCWYNILUCJ-HSZRJFAPSA-N 1 2 383.451 3.838 20 30 GHEDLO CC[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(C)c(F)c1 ZINC001231119259 1034409397 /nfs/dbraw/zinc/40/93/97/1034409397.db2.gz BXFYWDJDGRZXIN-JOCHJYFZSA-N 1 2 394.494 3.984 20 30 GHEDLO C=CCOc1cccc(C[N@@H+]2Cc3nn(CC4CC4)cc3[C@@H](COCC)C2)c1 ZINC001231622167 1034779886 /nfs/dbraw/zinc/77/98/86/1034779886.db2.gz SLTDXGHGCXEDRI-HXUWFJFHSA-N 1 2 381.520 3.994 20 30 GHEDLO C=CCOc1cccc(C[N@H+]2Cc3nn(CC4CC4)cc3[C@@H](COCC)C2)c1 ZINC001231622167 1034779894 /nfs/dbraw/zinc/77/98/94/1034779894.db2.gz SLTDXGHGCXEDRI-HXUWFJFHSA-N 1 2 381.520 3.994 20 30 GHEDLO CN(CCC#N)c1ccc(CN2CC[C@@H]([NH+]3CCCCC3)C(F)(F)C2)cc1 ZINC001231821984 1034929433 /nfs/dbraw/zinc/92/94/33/1034929433.db2.gz QJOKETFZCKTQHN-HXUWFJFHSA-N 1 2 376.495 3.732 20 30 GHEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1CCCCCOCc1ccccc1 ZINC001208811832 1035033583 /nfs/dbraw/zinc/03/35/83/1035033583.db2.gz TWSLEFKYTOJGMO-QFIPXVFZSA-N 1 2 398.551 3.787 20 30 GHEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1CCCCCOCc1ccccc1 ZINC001208811832 1035033589 /nfs/dbraw/zinc/03/35/89/1035033589.db2.gz TWSLEFKYTOJGMO-QFIPXVFZSA-N 1 2 398.551 3.787 20 30 GHEDLO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccnc(Br)c1F)C2 ZINC001232027696 1035050078 /nfs/dbraw/zinc/05/00/78/1035050078.db2.gz HXRLFRGJCLJZPT-CRAIPNDOSA-N 1 2 399.304 3.557 20 30 GHEDLO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1ccnc(Br)c1F)C2 ZINC001232027696 1035050084 /nfs/dbraw/zinc/05/00/84/1035050084.db2.gz HXRLFRGJCLJZPT-CRAIPNDOSA-N 1 2 399.304 3.557 20 30 GHEDLO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccc(C#N)c(Cl)c3)CC2)cc1 ZINC001232117265 1035104434 /nfs/dbraw/zinc/10/44/34/1035104434.db2.gz XAYHAFGVGSIGJO-UHFFFAOYSA-N 1 2 383.879 3.711 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1cccn1Cc1ccccc1 ZINC001232233046 1035175024 /nfs/dbraw/zinc/17/50/24/1035175024.db2.gz XFJBRKUUNZUVKY-QFIPXVFZSA-N 1 2 376.504 3.572 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1cccn1Cc1ccccc1 ZINC001232233046 1035175028 /nfs/dbraw/zinc/17/50/28/1035175028.db2.gz XFJBRKUUNZUVKY-QFIPXVFZSA-N 1 2 376.504 3.572 20 30 GHEDLO N#C[C@@H]1C[C@H](N2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)CCN1 ZINC001246833862 1037663508 /nfs/dbraw/zinc/66/35/08/1037663508.db2.gz IIFTWSLOEYGXAO-YTFSRNRJSA-N 1 2 394.950 3.691 20 30 GHEDLO CCCCCCCCNC(=S)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001247142345 1037942606 /nfs/dbraw/zinc/94/26/06/1037942606.db2.gz OMNIHBICXHNMDS-UHFFFAOYSA-N 1 2 375.542 3.513 20 30 GHEDLO N#Cc1cccc(N2CC[NH+](Cc3ccc(OCc4ccccc4)nc3)CC2)c1 ZINC001232358598 1038139158 /nfs/dbraw/zinc/13/91/58/1038139158.db2.gz NAKDHGMUVOWSBO-UHFFFAOYSA-N 1 2 384.483 3.854 20 30 GHEDLO Cc1cccc(C[NH+]2CCN(c3nccnc3C#N)CC2)c1OCc1ccccc1 ZINC001232399811 1038183630 /nfs/dbraw/zinc/18/36/30/1038183630.db2.gz DHUDILAWYOUBQU-UHFFFAOYSA-N 1 2 399.498 3.558 20 30 GHEDLO N#Cc1ccnc(C[NH+]2CCC(C(=O)c3ccc(Br)cc3)CC2)c1 ZINC001232477980 1038260619 /nfs/dbraw/zinc/26/06/19/1038260619.db2.gz GIKMBECFZUTMDS-UHFFFAOYSA-N 1 2 384.277 3.811 20 30 GHEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001232606866 1038389607 /nfs/dbraw/zinc/38/96/07/1038389607.db2.gz AEUSWODNORYAGD-LEWJYISDSA-N 1 2 383.879 3.809 20 30 GHEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001232606866 1038389618 /nfs/dbraw/zinc/38/96/18/1038389618.db2.gz AEUSWODNORYAGD-LEWJYISDSA-N 1 2 383.879 3.809 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2ccc(Br)c(C#N)c2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001232898193 1038692887 /nfs/dbraw/zinc/69/28/87/1038692887.db2.gz SISSVXNELUMDDH-WBMJQRKESA-N 1 2 394.313 3.666 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2ccc(Br)c(C#N)c2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001232898193 1038692890 /nfs/dbraw/zinc/69/28/90/1038692890.db2.gz SISSVXNELUMDDH-WBMJQRKESA-N 1 2 394.313 3.666 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@@H](C[N@H+](Cc2ccc(C#N)cc2O)C2CC2)C1 ZINC001233387999 1039211586 /nfs/dbraw/zinc/21/15/86/1039211586.db2.gz HUHHYPBLYAVZAM-QGZVFWFLSA-N 1 2 385.508 3.875 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@@H](C[N@@H+](Cc2ccc(C#N)cc2O)C2CC2)C1 ZINC001233387999 1039211603 /nfs/dbraw/zinc/21/16/03/1039211603.db2.gz HUHHYPBLYAVZAM-QGZVFWFLSA-N 1 2 385.508 3.875 20 30 GHEDLO CCCCCCCCCC[C@@H](O)C[N@@H+]1CCc2c(nnn2CC)[C@H]1COC ZINC001252978363 1039307461 /nfs/dbraw/zinc/30/74/61/1039307461.db2.gz ADWMJAKOAIVRFM-UYAOXDASSA-N 1 2 380.577 3.735 20 30 GHEDLO CCCCCCCCCC[C@@H](O)C[N@H+]1CCc2c(nnn2CC)[C@H]1COC ZINC001252978363 1039307481 /nfs/dbraw/zinc/30/74/81/1039307481.db2.gz ADWMJAKOAIVRFM-UYAOXDASSA-N 1 2 380.577 3.735 20 30 GHEDLO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cn4c(cccc4Cl)n3)C2)C1 ZINC001233549500 1039431585 /nfs/dbraw/zinc/43/15/85/1039431585.db2.gz AYZUIKQAIOPMEO-FQEVSTJZSA-N 1 2 388.899 3.598 20 30 GHEDLO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](Cc3cn4c(cccc4Cl)n3)C2)C1 ZINC001233549500 1039431592 /nfs/dbraw/zinc/43/15/92/1039431592.db2.gz AYZUIKQAIOPMEO-FQEVSTJZSA-N 1 2 388.899 3.598 20 30 GHEDLO CC(C)OCc1nnc2n1CC[N@H+](C1CCC(C#N)(c3ccc(F)cc3)CC1)C2 ZINC001254355574 1040188319 /nfs/dbraw/zinc/18/83/19/1040188319.db2.gz VQMPSSYWCWBVRG-UHFFFAOYSA-N 1 2 397.498 3.562 20 30 GHEDLO CC(C)OCc1nnc2n1CC[N@@H+](C1CCC(C#N)(c3ccc(F)cc3)CC1)C2 ZINC001254355574 1040188323 /nfs/dbraw/zinc/18/83/23/1040188323.db2.gz VQMPSSYWCWBVRG-UHFFFAOYSA-N 1 2 397.498 3.562 20 30 GHEDLO C=CCO[C@@H]1CC[N@@H+](CC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccco2)C1 ZINC001254556955 1040326091 /nfs/dbraw/zinc/32/60/91/1040326091.db2.gz NOCOFOQROMGJEL-CTNGQTDRSA-N 1 2 393.487 3.543 20 30 GHEDLO C=CCO[C@@H]1CC[N@H+](CC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccco2)C1 ZINC001254556955 1040326106 /nfs/dbraw/zinc/32/61/06/1040326106.db2.gz NOCOFOQROMGJEL-CTNGQTDRSA-N 1 2 393.487 3.543 20 30 GHEDLO CN1C(=O)[C@H](c2ccccc2)CC12CC[NH+](Cc1c(F)cc(C#N)cc1F)CC2 ZINC001235654796 1041101544 /nfs/dbraw/zinc/10/15/44/1041101544.db2.gz QLHXYKFVIZYSKZ-SFHVURJKSA-N 1 2 395.453 3.817 20 30 GHEDLO N#Cc1cc(F)c(C[N@@H+]2CCC[C@@]3(C[C@H](OCc4cccnc4)CO3)C2)c(F)c1 ZINC001235655005 1041102741 /nfs/dbraw/zinc/10/27/41/1041102741.db2.gz TTXLHIJURZJCPK-PGRDOPGGSA-N 1 2 399.441 3.572 20 30 GHEDLO N#Cc1cc(F)c(C[N@H+]2CCC[C@@]3(C[C@H](OCc4cccnc4)CO3)C2)c(F)c1 ZINC001235655005 1041102758 /nfs/dbraw/zinc/10/27/58/1041102758.db2.gz TTXLHIJURZJCPK-PGRDOPGGSA-N 1 2 399.441 3.572 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1[C@@H](C)CSc1ccc(F)cc1 ZINC001255743830 1041264197 /nfs/dbraw/zinc/26/41/97/1041264197.db2.gz WNFPBNXDAPFVLX-HNAYVOBHSA-N 1 2 390.528 3.720 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1[C@@H](C)CSc1ccc(F)cc1 ZINC001255743830 1041264208 /nfs/dbraw/zinc/26/42/08/1041264208.db2.gz WNFPBNXDAPFVLX-HNAYVOBHSA-N 1 2 390.528 3.720 20 30 GHEDLO C[NH+]1CCN(C(=O)c2ccc(-c3cc(/C=N/O)cc(C(F)(F)F)c3)cc2)CC1 ZINC001236563828 1041764007 /nfs/dbraw/zinc/76/40/07/1041764007.db2.gz VMQWPFDOQPNOSQ-ZMOGYAJESA-N 1 2 391.393 3.568 20 30 GHEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1cc(Cl)cc(C(=O)OC)c1)CCO2 ZINC001236767578 1041880212 /nfs/dbraw/zinc/88/02/12/1041880212.db2.gz CRIREJYKDGUWIC-GHTZIAJQSA-N 1 2 393.911 3.700 20 30 GHEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1cc(Cl)cc(C(=O)OC)c1)CCO2 ZINC001236767578 1041880218 /nfs/dbraw/zinc/88/02/18/1041880218.db2.gz CRIREJYKDGUWIC-GHTZIAJQSA-N 1 2 393.911 3.700 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](F)[C@](O)(C(F)(F)F)CC2)cc1Br ZINC001236858011 1041930940 /nfs/dbraw/zinc/93/09/40/1041930940.db2.gz TZLVKNQBXMKFLZ-KBPBESRZSA-N 1 2 395.194 3.548 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CC[C@H](F)[C@](O)(C(F)(F)F)CC2)cc1Br ZINC001236858011 1041930942 /nfs/dbraw/zinc/93/09/42/1041930942.db2.gz TZLVKNQBXMKFLZ-KBPBESRZSA-N 1 2 395.194 3.548 20 30 GHEDLO C=C(C)CNC(=O)[C@@H]1CC12CC[NH+](Cc1c(F)cc(Cl)cc1OC)CC2 ZINC001278034517 1041972097 /nfs/dbraw/zinc/97/20/97/1041972097.db2.gz JTNMRFDZMPFQKV-INIZCTEOSA-N 1 2 380.891 3.782 20 30 GHEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1[nH]c(-c3ccc[nH]3)cc1OC)CCO2 ZINC001237874706 1042404003 /nfs/dbraw/zinc/40/40/03/1042404003.db2.gz ZNCPKEPDDXEWBN-VGOFRKELSA-N 1 2 385.508 3.592 20 30 GHEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1[nH]c(-c3ccc[nH]3)cc1OC)CCO2 ZINC001237874706 1042404005 /nfs/dbraw/zinc/40/40/05/1042404005.db2.gz ZNCPKEPDDXEWBN-VGOFRKELSA-N 1 2 385.508 3.592 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](Cc3cccnc3OCc3ccccc3)CC2)cc1 ZINC001238773879 1042722394 /nfs/dbraw/zinc/72/23/94/1042722394.db2.gz MSVOLUVAJMFDHR-UHFFFAOYSA-N 1 2 384.483 3.854 20 30 GHEDLO Cc1cccc(COCc2cnc3n2CC[N@H+](C2CCC(C#N)CC2)[C@@H]3C)n1 ZINC001256967085 1043777282 /nfs/dbraw/zinc/77/72/82/1043777282.db2.gz UYEZDNZCGJOSGE-PGYGNJIDSA-N 1 2 379.508 3.762 20 30 GHEDLO Cc1cccc(COCc2cnc3n2CC[N@@H+](C2CCC(C#N)CC2)[C@@H]3C)n1 ZINC001256967085 1043777291 /nfs/dbraw/zinc/77/72/91/1043777291.db2.gz UYEZDNZCGJOSGE-PGYGNJIDSA-N 1 2 379.508 3.762 20 30 GHEDLO C=C(Cl)CSc1nc(C)c(CC(=O)NCc2ccn3cc[nH+]c3c2)s1 ZINC001294905639 1044837329 /nfs/dbraw/zinc/83/73/29/1044837329.db2.gz PBQSGZDREMYOEW-UHFFFAOYSA-N 1 2 392.937 3.803 20 30 GHEDLO N#Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)c1 ZINC001259124865 1044971225 /nfs/dbraw/zinc/97/12/25/1044971225.db2.gz VXYLXKMCBLHGCE-UHFFFAOYSA-N 1 2 389.480 3.875 20 30 GHEDLO N#Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)c1 ZINC001259124865 1044971226 /nfs/dbraw/zinc/97/12/26/1044971226.db2.gz VXYLXKMCBLHGCE-UHFFFAOYSA-N 1 2 389.480 3.875 20 30 GHEDLO C=CCCCn1c(-c2ccccc2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001301211380 1046405733 /nfs/dbraw/zinc/40/57/33/1046405733.db2.gz GLVCCJVGALASMQ-UHFFFAOYSA-N 1 2 392.507 3.530 20 30 GHEDLO C=CCCCn1c(Cc2ccsc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001301227101 1046415599 /nfs/dbraw/zinc/41/55/99/1046415599.db2.gz LVCCTAQITDENCM-UHFFFAOYSA-N 1 2 394.548 3.618 20 30 GHEDLO C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCNc1cccc[nH+]1 ZINC001301310878 1046473593 /nfs/dbraw/zinc/47/35/93/1046473593.db2.gz UKQVJXOZYAAZMP-IEBWSBKVSA-N 1 2 398.555 3.716 20 30 GHEDLO C=CC1CCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC001286658904 1048426777 /nfs/dbraw/zinc/42/67/77/1048426777.db2.gz BYOHHLUIVOHNKZ-UHFFFAOYSA-N 1 2 394.567 3.923 20 30 GHEDLO C=CCCCCn1c(CC)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001286687392 1048448520 /nfs/dbraw/zinc/44/85/20/1048448520.db2.gz JDQJRYZZMBRGGU-UHFFFAOYSA-N 1 2 397.571 3.745 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1CCCCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC001307993766 1049744721 /nfs/dbraw/zinc/74/47/21/1049744721.db2.gz SVISZVOUGRKWFO-MRXNPFEDSA-N 1 2 388.468 3.736 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1CCCCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC001307993766 1049744742 /nfs/dbraw/zinc/74/47/42/1049744742.db2.gz SVISZVOUGRKWFO-MRXNPFEDSA-N 1 2 388.468 3.736 20 30 GHEDLO CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001308083085 1049829368 /nfs/dbraw/zinc/82/93/68/1049829368.db2.gz BOCQFUWXGGMBTB-INIZCTEOSA-N 1 2 398.425 3.926 20 30 GHEDLO CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001308083085 1049829380 /nfs/dbraw/zinc/82/93/80/1049829380.db2.gz BOCQFUWXGGMBTB-INIZCTEOSA-N 1 2 398.425 3.926 20 30 GHEDLO N#Cc1ccc(Br)c(C[NH2+][C@H](CC(N)=O)c2ccccc2Cl)c1 ZINC001308351731 1049955698 /nfs/dbraw/zinc/95/56/98/1049955698.db2.gz XKSVBJIRNMTJAN-MRXNPFEDSA-N 1 2 392.684 3.680 20 30 GHEDLO Cc1nn(-c2ccccc2F)cc1C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC001308616936 1050034273 /nfs/dbraw/zinc/03/42/73/1050034273.db2.gz YBNJBZCPCGGNPS-UHFFFAOYSA-N 1 2 393.441 3.653 20 30 GHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c1=S ZINC001333606284 1051784228 /nfs/dbraw/zinc/78/42/28/1051784228.db2.gz QCGVLOQKUSFIGA-RTBURBONSA-N 1 2 384.549 3.649 20 30 GHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c1=S ZINC001333606284 1051784239 /nfs/dbraw/zinc/78/42/39/1051784239.db2.gz QCGVLOQKUSFIGA-RTBURBONSA-N 1 2 384.549 3.649 20 30 GHEDLO N#Cc1ccc(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)nc1 ZINC001311056965 1051811622 /nfs/dbraw/zinc/81/16/22/1051811622.db2.gz QKMKVVVUOOQXKL-INIZCTEOSA-N 1 2 387.846 3.532 20 30 GHEDLO N#Cc1ccc(NC(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)nc1 ZINC001311056965 1051811633 /nfs/dbraw/zinc/81/16/33/1051811633.db2.gz QKMKVVVUOOQXKL-INIZCTEOSA-N 1 2 387.846 3.532 20 30 GHEDLO C[N@@H+]1CCCC[C@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CCc1ccccc1 ZINC001342399825 1053147819 /nfs/dbraw/zinc/14/78/19/1053147819.db2.gz WOHAWPSVGHBLTN-FQEVSTJZSA-N 1 2 392.551 3.808 20 30 GHEDLO C[N@H+]1CCCC[C@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CCc1ccccc1 ZINC001342399825 1053147823 /nfs/dbraw/zinc/14/78/23/1053147823.db2.gz WOHAWPSVGHBLTN-FQEVSTJZSA-N 1 2 392.551 3.808 20 30 GHEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CC[C@H](C)[C@@H]1c1ccccc1 ZINC001343420870 1053761738 /nfs/dbraw/zinc/76/17/38/1053761738.db2.gz VWHDNZQTWZVPSS-LAUBAEHRSA-N 1 2 376.508 3.766 20 30 GHEDLO CC1=CCCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2Cc2cccs2)C1 ZINC001343557357 1053876478 /nfs/dbraw/zinc/87/64/78/1053876478.db2.gz DLJKEHBNMIABMA-UHFFFAOYSA-N 1 2 396.564 3.637 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@H](OC2CCC2)CC1 ZINC001343767875 1054010944 /nfs/dbraw/zinc/01/09/44/1054010944.db2.gz GNBPORPDRYFNBD-WOJBJXKFSA-N 1 2 387.572 3.939 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@H](OC2CCC2)CC1 ZINC001343767875 1054010952 /nfs/dbraw/zinc/01/09/52/1054010952.db2.gz GNBPORPDRYFNBD-WOJBJXKFSA-N 1 2 387.572 3.939 20 30 GHEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC001343771992 1054014684 /nfs/dbraw/zinc/01/46/84/1054014684.db2.gz IFMXLPQWVZHMRY-WOJBJXKFSA-N 1 2 387.572 3.626 20 30 GHEDLO N#CCOc1ccccc1C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001318230078 1054514292 /nfs/dbraw/zinc/51/42/92/1054514292.db2.gz RRCLJMXTOQFQSC-UHFFFAOYSA-N 1 2 389.459 3.703 20 30 GHEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+](C)[C@@H]2CC[C@H](SC)C2)c1=S ZINC001318835726 1054908517 /nfs/dbraw/zinc/90/85/17/1054908517.db2.gz IAXPKOGGEMUIIF-CVEARBPZSA-N 1 2 375.567 3.835 20 30 GHEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+](C)[C@@H]2CC[C@H](SC)C2)c1=S ZINC001318835726 1054908521 /nfs/dbraw/zinc/90/85/21/1054908521.db2.gz IAXPKOGGEMUIIF-CVEARBPZSA-N 1 2 375.567 3.835 20 30 GHEDLO C[N@@H+]1CCCC[C@H]1c1nnc(N2Cc3ccc(C#N)cc3C2)n1Cc1ccccc1 ZINC001353948292 1056171055 /nfs/dbraw/zinc/17/10/55/1056171055.db2.gz FTRGJUBQOIXGJK-QFIPXVFZSA-N 1 2 398.514 3.875 20 30 GHEDLO C[N@H+]1CCCC[C@H]1c1nnc(N2Cc3ccc(C#N)cc3C2)n1Cc1ccccc1 ZINC001353948292 1056171063 /nfs/dbraw/zinc/17/10/63/1056171063.db2.gz FTRGJUBQOIXGJK-QFIPXVFZSA-N 1 2 398.514 3.875 20 30 GHEDLO N#Cc1ccc2c(c1)CN(c1nnc(C[NH+]3CCCCC3)n1Cc1ccccc1)C2 ZINC001353957214 1056184647 /nfs/dbraw/zinc/18/46/47/1056184647.db2.gz CHYPZWLQJBQQJJ-UHFFFAOYSA-N 1 2 398.514 3.704 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2C[C@@H](CC)c2ccccc2)CC1 ZINC001300681772 1056857559 /nfs/dbraw/zinc/85/75/59/1056857559.db2.gz BGPLCTWDQDULMV-WOJBJXKFSA-N 1 2 379.552 3.741 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC(C)(C)CC=C)CC1 ZINC001300685695 1056869541 /nfs/dbraw/zinc/86/95/41/1056869541.db2.gz SCPGNIUQUOKKBD-UHFFFAOYSA-N 1 2 397.954 3.956 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCC[C@@H]2C)CC1 ZINC001300688215 1056875988 /nfs/dbraw/zinc/87/59/88/1056875988.db2.gz CLEYUCCQULVLKZ-HKUYNNGSSA-N 1 2 397.954 3.790 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3C)n2CC(C)(C)CC=C)CC1 ZINC001300693379 1056894165 /nfs/dbraw/zinc/89/41/65/1056894165.db2.gz XGBCQVSOAWOOGN-UHFFFAOYSA-N 1 2 377.536 3.611 20 30 GHEDLO COc1cc[nH+]cc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCC1(C)C ZINC001300694988 1056900051 /nfs/dbraw/zinc/90/00/51/1056900051.db2.gz ZJSSVPJTRFDDLH-UHFFFAOYSA-N 1 2 388.475 3.647 20 30 GHEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1C[C@H](c2ccccc2)C[C@H]1C ZINC001355976616 1057340770 /nfs/dbraw/zinc/34/07/70/1057340770.db2.gz NBVXIGPKRKPEMS-IEBWSBKVSA-N 1 2 376.508 3.561 20 30 GHEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1C[C@H](c2ccccc2)C[C@@H]1C ZINC001355976624 1057340783 /nfs/dbraw/zinc/34/07/83/1057340783.db2.gz NBVXIGPKRKPEMS-PKOBYXMFSA-N 1 2 376.508 3.561 20 30 GHEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC(c2ccc(F)cc2)CC1 ZINC001355978935 1057341490 /nfs/dbraw/zinc/34/14/90/1057341490.db2.gz YVCMOVFAYPAKPK-UHFFFAOYSA-N 1 2 394.498 3.702 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC[C@H](OC)C1 ZINC001356200747 1057426724 /nfs/dbraw/zinc/42/67/24/1057426724.db2.gz XCVMCYSMNQSLOO-ICSRJNTNSA-N 1 2 383.540 3.662 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC[C@H](OC)C1 ZINC001356200747 1057426726 /nfs/dbraw/zinc/42/67/26/1057426726.db2.gz XCVMCYSMNQSLOO-ICSRJNTNSA-N 1 2 383.540 3.662 20 30 GHEDLO Cn1c([C@H]2CCCC[N@@H+]2Cc2ccccc2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001338394762 1058545738 /nfs/dbraw/zinc/54/57/38/1058545738.db2.gz LJKKMBXJSRXLEV-KNQAVFIVSA-N 1 2 378.524 3.672 20 30 GHEDLO Cn1c([C@H]2CCCC[N@H+]2Cc2ccccc2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001338394762 1058545757 /nfs/dbraw/zinc/54/57/57/1058545757.db2.gz LJKKMBXJSRXLEV-KNQAVFIVSA-N 1 2 378.524 3.672 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@H]1c1ccsc1 ZINC001338995269 1058918148 /nfs/dbraw/zinc/91/81/48/1058918148.db2.gz NCFKQEZXEFVGJD-IBGZPJMESA-N 1 2 396.564 3.960 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC[C@@H](OCC2CC2)C1 ZINC001339023944 1058929300 /nfs/dbraw/zinc/92/93/00/1058929300.db2.gz SPOHLTXSPPMSML-WOJBJXKFSA-N 1 2 398.555 3.692 20 30 GHEDLO CC1(C)CN(C(=O)C(=O)/C=C/c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001443551592 1059149254 /nfs/dbraw/zinc/14/92/54/1059149254.db2.gz NTTCIHUYOYNZNY-JLHYYAGUSA-N 1 2 380.463 3.531 20 30 GHEDLO CC1(C)CN(C(=O)C(=O)/C=C/c2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC001443551592 1059149266 /nfs/dbraw/zinc/14/92/66/1059149266.db2.gz NTTCIHUYOYNZNY-JLHYYAGUSA-N 1 2 380.463 3.531 20 30 GHEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)[C@H](C)c1cccs1 ZINC001339484398 1059247440 /nfs/dbraw/zinc/24/74/40/1059247440.db2.gz GALWEGBEDJDUBY-HZPDHXFCSA-N 1 2 375.542 3.505 20 30 GHEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)[C@H](C)c1cccs1 ZINC001339484398 1059247457 /nfs/dbraw/zinc/24/74/57/1059247457.db2.gz GALWEGBEDJDUBY-HZPDHXFCSA-N 1 2 375.542 3.505 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@]2(C1)OCc1ccccc12 ZINC001339528054 1059279772 /nfs/dbraw/zinc/27/97/72/1059279772.db2.gz AYSCMJVPAAWFBR-NFBKMPQASA-N 1 2 393.535 3.647 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@]2(C1)OCc1ccccc12 ZINC001339528054 1059279793 /nfs/dbraw/zinc/27/97/93/1059279793.db2.gz AYSCMJVPAAWFBR-NFBKMPQASA-N 1 2 393.535 3.647 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC001339528100 1059280157 /nfs/dbraw/zinc/28/01/57/1059280157.db2.gz CEYOQHKJFCBIJJ-IHPCNDPISA-N 1 2 381.524 3.587 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC001339528100 1059280170 /nfs/dbraw/zinc/28/01/70/1059280170.db2.gz CEYOQHKJFCBIJJ-IHPCNDPISA-N 1 2 381.524 3.587 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC(OCCC(C)C)CC1 ZINC001340265068 1059802145 /nfs/dbraw/zinc/80/21/45/1059802145.db2.gz XCKZAVOKXMGRED-IBGZPJMESA-N 1 2 375.561 3.652 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC(OCCC(C)C)CC1 ZINC001340265068 1059802168 /nfs/dbraw/zinc/80/21/68/1059802168.db2.gz XCKZAVOKXMGRED-IBGZPJMESA-N 1 2 375.561 3.652 20 30 GHEDLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)C1 ZINC001340540597 1059968916 /nfs/dbraw/zinc/96/89/16/1059968916.db2.gz OSWRVNKCTCFGOO-UYAOXDASSA-N 1 2 391.519 3.566 20 30 GHEDLO C[C@@H]1C[C@@H](C)N(c2nnc(C3CC[NH+](CCC#N)CC3)n2Cc2ccccc2)C1 ZINC001340661512 1060028681 /nfs/dbraw/zinc/02/86/81/1060028681.db2.gz PYTUMEPRQCYUQP-RTBURBONSA-N 1 2 392.551 3.654 20 30 GHEDLO C[C@H]1CCCN1c1nnc(C2CC[NH+](CCC#N)CC2)n1CCc1ccccc1 ZINC001340767422 1060108891 /nfs/dbraw/zinc/10/88/91/1060108891.db2.gz HPIGEUGIDHODBY-IBGZPJMESA-N 1 2 392.551 3.603 20 30 GHEDLO N#Cc1c(F)cc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)cc1F ZINC001448187772 1060131129 /nfs/dbraw/zinc/13/11/29/1060131129.db2.gz QAYIOEDEQSFFEC-IBGZPJMESA-N 1 2 389.833 3.771 20 30 GHEDLO N#Cc1c(F)cc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)cc1F ZINC001448187772 1060131139 /nfs/dbraw/zinc/13/11/39/1060131139.db2.gz QAYIOEDEQSFFEC-IBGZPJMESA-N 1 2 389.833 3.771 20 30 GHEDLO COc1cc(C#N)ccc1C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC001448498591 1060200367 /nfs/dbraw/zinc/20/03/67/1060200367.db2.gz BGOLPMWRNQBTBY-INIZCTEOSA-N 1 2 378.476 3.625 20 30 GHEDLO COc1cc(C#N)ccc1C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC001448498591 1060200394 /nfs/dbraw/zinc/20/03/94/1060200394.db2.gz BGOLPMWRNQBTBY-INIZCTEOSA-N 1 2 378.476 3.625 20 30 GHEDLO Cc1cccc(C)c1[C@H]1CCCN1c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001341441552 1060684060 /nfs/dbraw/zinc/68/40/60/1060684060.db2.gz XSRUFBUYZZCXML-HXUWFJFHSA-N 1 2 392.551 3.867 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCCC[C@@H](C2CCOCC2)C1 ZINC001342006160 1060992917 /nfs/dbraw/zinc/99/29/17/1060992917.db2.gz WTIJSTVDCDRHGS-WOJBJXKFSA-N 1 2 387.572 3.654 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCCC[C@@H](C2CCOCC2)C1 ZINC001342006160 1060992920 /nfs/dbraw/zinc/99/29/20/1060992920.db2.gz WTIJSTVDCDRHGS-WOJBJXKFSA-N 1 2 387.572 3.654 20 30 GHEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCc2ccccc2[C@@H]1C ZINC001342012945 1060996208 /nfs/dbraw/zinc/99/62/08/1060996208.db2.gz OMUYZWXWXKKIDB-CUWPLCDZSA-N 1 2 393.535 3.514 20 30 GHEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCc2ccccc2[C@@H]1C ZINC001342012945 1060996215 /nfs/dbraw/zinc/99/62/15/1060996215.db2.gz OMUYZWXWXKKIDB-CUWPLCDZSA-N 1 2 393.535 3.514 20 30 GHEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC[C@@H]1c1ccccc1 ZINC001342018709 1060998762 /nfs/dbraw/zinc/99/87/62/1060998762.db2.gz GIQDXIUIIJFQFD-WOJBJXKFSA-N 1 2 381.524 3.587 20 30 GHEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC[C@@H]1c1ccccc1 ZINC001342018709 1060998766 /nfs/dbraw/zinc/99/87/66/1060998766.db2.gz GIQDXIUIIJFQFD-WOJBJXKFSA-N 1 2 381.524 3.587 20 30 GHEDLO CC(C)C[C@H](c1nnc(N2CCC(CC#N)CC2)n1CC1CC1)n1cc[nH+]c1 ZINC001346038641 1061310523 /nfs/dbraw/zinc/31/05/23/1061310523.db2.gz ITTYIZSXEYFPDJ-LJQANCHMSA-N 1 2 381.528 3.650 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC001346188509 1061439538 /nfs/dbraw/zinc/43/95/38/1061439538.db2.gz ZYYNSQZXZAFRPY-YZGWKJHDSA-N 1 2 381.524 3.587 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC001346188509 1061439553 /nfs/dbraw/zinc/43/95/53/1061439553.db2.gz ZYYNSQZXZAFRPY-YZGWKJHDSA-N 1 2 381.524 3.587 20 30 GHEDLO N#CCn1c(C(=O)N2CC[NH2+][C@@H](c3ccc(Cl)cc3)C2)cc2ccccc21 ZINC001454254165 1061670139 /nfs/dbraw/zinc/67/01/39/1061670139.db2.gz AUSMIGVUXQXUKS-GOSISDBHSA-N 1 2 378.863 3.605 20 30 GHEDLO CN(Cc1cccc(F)c1)c1nnc(C2CC[NH+](CCC#N)CC2)n1CC1CC1 ZINC001346861233 1061944152 /nfs/dbraw/zinc/94/41/52/1061944152.db2.gz SGSWLFNJIYTMLV-UHFFFAOYSA-N 1 2 396.514 3.557 20 30 GHEDLO Cc1cc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)cc(C)c1C#N ZINC001435751573 1062910795 /nfs/dbraw/zinc/91/07/95/1062910795.db2.gz WDQZUPDYODMDNN-RTWAWAEBSA-N 1 2 397.906 3.630 20 30 GHEDLO Cc1cc(C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)cc(C)c1C#N ZINC001435751573 1062910798 /nfs/dbraw/zinc/91/07/98/1062910798.db2.gz WDQZUPDYODMDNN-RTWAWAEBSA-N 1 2 397.906 3.630 20 30 GHEDLO C=CCOc1ccc(CC(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC001437967998 1063957077 /nfs/dbraw/zinc/95/70/77/1063957077.db2.gz ONAIPZOTBAWCKH-NRFANRHFSA-N 1 2 375.472 3.628 20 30 GHEDLO O=[N+]([O-])c1cccc(N2CC[NH+](CC#Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC001459310157 1064057313 /nfs/dbraw/zinc/05/73/13/1064057313.db2.gz HKOMKSHDQGDUIC-UHFFFAOYSA-N 1 2 389.377 3.787 20 30 GHEDLO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1Br ZINC001460063139 1064389136 /nfs/dbraw/zinc/38/91/36/1064389136.db2.gz RPGMIAYIINHYAJ-MRXNPFEDSA-N 1 2 394.313 3.764 20 30 GHEDLO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1Br ZINC001460063139 1064389141 /nfs/dbraw/zinc/38/91/41/1064389141.db2.gz RPGMIAYIINHYAJ-MRXNPFEDSA-N 1 2 394.313 3.764 20 30 GHEDLO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1Br ZINC001460066691 1064393930 /nfs/dbraw/zinc/39/39/30/1064393930.db2.gz SINLBGWUKBUWFI-MRXNPFEDSA-N 1 2 394.313 3.811 20 30 GHEDLO CCCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Br ZINC001460066691 1064393937 /nfs/dbraw/zinc/39/39/37/1064393937.db2.gz SINLBGWUKBUWFI-MRXNPFEDSA-N 1 2 394.313 3.811 20 30 GHEDLO C=CCC[C@@H]1CCCN1c1nnc([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)n1CC1CC1 ZINC001351454031 1064455652 /nfs/dbraw/zinc/45/56/52/1064455652.db2.gz JCWJLKCFYIPFRF-AQNXPRMDSA-N 1 2 385.556 3.549 20 30 GHEDLO C=CCC[C@@H]1CCCN1c1nnc([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)n1CC1CC1 ZINC001351454031 1064455656 /nfs/dbraw/zinc/45/56/56/1064455656.db2.gz JCWJLKCFYIPFRF-AQNXPRMDSA-N 1 2 385.556 3.549 20 30 GHEDLO C[C@@H]1c2ccccc2CN1c1nnc(C2CC[NH+](CCC#N)CC2)n1CC1CC1 ZINC001351501319 1064484797 /nfs/dbraw/zinc/48/47/97/1064484797.db2.gz MFLPHCYLJFDMPT-QGZVFWFLSA-N 1 2 390.535 3.862 20 30 GHEDLO N#Cc1ccc(Oc2ccc(NC(=O)NCCCCn3cc[nH+]c3)cc2)nc1 ZINC001465432232 1065609567 /nfs/dbraw/zinc/60/95/67/1065609567.db2.gz ZAKRWMNBDMITQM-UHFFFAOYSA-N 1 2 376.420 3.544 20 30 GHEDLO C=C1CCN(c2nnc([C@@H](CC(C)C)n3cc[nH+]c3)n2CCCOCC)CC1 ZINC001357416252 1067091184 /nfs/dbraw/zinc/09/11/84/1067091184.db2.gz YAOVKTKGUMTSRI-LJQANCHMSA-N 1 2 386.544 3.693 20 30 GHEDLO C#C[C@@H](C)N(C)c1nnc(C2CCCC2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001358888688 1067597730 /nfs/dbraw/zinc/59/77/30/1067597730.db2.gz QKYCSOSREBDFDP-GOSISDBHSA-N 1 2 392.551 3.827 20 30 GHEDLO C[C@@H](CC#N)N(C)c1nnc(-c2ccccc2)n1CCc1cn2ccccc2[nH+]1 ZINC001360471951 1068520056 /nfs/dbraw/zinc/52/00/56/1068520056.db2.gz SAJSQJKMJYHDGP-KRWDZBQOSA-N 1 2 385.475 3.574 20 30 GHEDLO Cc1sc(NC(=O)C[N@H+]2C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]2C)c(C#N)c1C ZINC001460269337 1068897038 /nfs/dbraw/zinc/89/70/38/1068897038.db2.gz JYTUMNSDJVHMHK-WFASDCNBSA-N 1 2 391.537 3.617 20 30 GHEDLO Cc1sc(NC(=O)C[N@@H+]2C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]2C)c(C#N)c1C ZINC001460269337 1068897044 /nfs/dbraw/zinc/89/70/44/1068897044.db2.gz JYTUMNSDJVHMHK-WFASDCNBSA-N 1 2 391.537 3.617 20 30 GHEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H]2Cc2ccccc2Br)c1 ZINC001460273414 1068901497 /nfs/dbraw/zinc/90/14/97/1068901497.db2.gz XJQFMHOLYGRTCR-GOSISDBHSA-N 1 2 398.304 3.966 20 30 GHEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2Cc2ccccc2Br)c1 ZINC001460273414 1068901500 /nfs/dbraw/zinc/90/15/00/1068901500.db2.gz XJQFMHOLYGRTCR-GOSISDBHSA-N 1 2 398.304 3.966 20 30 GHEDLO CC(C)[C@H]1CCC[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC001478487436 1078888685 /nfs/dbraw/zinc/88/86/85/1078888685.db2.gz USQSQUXNLLJLIZ-FCHUYYIVSA-N 1 2 382.552 3.990 20 30 GHEDLO COc1cccc([C@H]2CN(C(=O)c3c(Cl)cc(C#N)cc3Cl)CC[NH2+]2)c1 ZINC001470858517 1072776125 /nfs/dbraw/zinc/77/61/25/1072776125.db2.gz LURDTDTUIOVWJC-QGZVFWFLSA-N 1 2 390.270 3.660 20 30 GHEDLO C#CC[N@@H+](Cc1ccc(OC)nc1)[C@H]1CCOc2ccc(Br)cc21 ZINC001473169254 1073828534 /nfs/dbraw/zinc/82/85/34/1073828534.db2.gz WBOYPOJZNPVXTG-KRWDZBQOSA-N 1 2 387.277 3.812 20 30 GHEDLO C#CC[N@H+](Cc1ccc(OC)nc1)[C@H]1CCOc2ccc(Br)cc21 ZINC001473169254 1073828537 /nfs/dbraw/zinc/82/85/37/1073828537.db2.gz WBOYPOJZNPVXTG-KRWDZBQOSA-N 1 2 387.277 3.812 20 30 GHEDLO CCCCCCC[NH+]1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC001473299080 1073911087 /nfs/dbraw/zinc/91/10/87/1073911087.db2.gz FQHAEMYRLAWEPX-UHFFFAOYSA-N 1 2 376.925 3.756 20 30 GHEDLO Cn1c(C[N@@H+]2CCC[C@@H](Nc3ccc(C#N)cn3)C2)nc2cc(Cl)ccc21 ZINC001474717361 1074531849 /nfs/dbraw/zinc/53/18/49/1074531849.db2.gz LBFNGKHYFDGJDZ-MRXNPFEDSA-N 1 2 380.883 3.570 20 30 GHEDLO Cn1c(C[N@H+]2CCC[C@@H](Nc3ccc(C#N)cn3)C2)nc2cc(Cl)ccc21 ZINC001474717361 1074531852 /nfs/dbraw/zinc/53/18/52/1074531852.db2.gz LBFNGKHYFDGJDZ-MRXNPFEDSA-N 1 2 380.883 3.570 20 30 GHEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(c2nc3c(cc2C#N)COCC3)CC1 ZINC000581291285 837505952 /nfs/dbraw/zinc/50/59/52/837505952.db2.gz NUZPMHHNMWISAY-HNNXBMFYSA-N 1 2 382.895 3.563 20 30 GHEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000431789287 837529804 /nfs/dbraw/zinc/52/98/04/837529804.db2.gz APYGGIKLZDNUBX-UHFFFAOYSA-N 1 2 375.472 3.697 20 30 GHEDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000376486263 837536412 /nfs/dbraw/zinc/53/64/12/837536412.db2.gz QWHMSLXVYYTMPX-KRWDZBQOSA-N 1 2 389.434 3.861 20 30 GHEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000376511900 837758590 /nfs/dbraw/zinc/75/85/90/837758590.db2.gz PHFUBYNUEQTCOQ-SFTDATJTSA-N 1 2 390.531 3.743 20 30 GHEDLO Cc1cc(F)cc([C@]2(F)CC[N@H+](CCC(=O)Nc3sccc3C#N)C2)c1 ZINC000548796515 834427872 /nfs/dbraw/zinc/42/78/72/834427872.db2.gz WEQZXGAYJGHASC-IBGZPJMESA-N 1 2 375.444 3.967 20 30 GHEDLO Cc1cc(F)cc([C@]2(F)CC[N@@H+](CCC(=O)Nc3sccc3C#N)C2)c1 ZINC000548796515 834427882 /nfs/dbraw/zinc/42/78/82/834427882.db2.gz WEQZXGAYJGHASC-IBGZPJMESA-N 1 2 375.444 3.967 20 30 GHEDLO CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000329168610 834500853 /nfs/dbraw/zinc/50/08/53/834500853.db2.gz JEGSPSPUGDFODT-DZGCQCFKSA-N 1 2 396.582 3.665 20 30 GHEDLO Cc1cc(F)ccc1N1CCC[C@@H]([NH+]2CCC(C#N)(c3ccccn3)CC2)C1=O ZINC000548798706 834506737 /nfs/dbraw/zinc/50/67/37/834506737.db2.gz PUEFCYDMFIFFKD-HXUWFJFHSA-N 1 2 392.478 3.582 20 30 GHEDLO CC(C)Oc1cccc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 ZINC000052534748 834908662 /nfs/dbraw/zinc/90/86/62/834908662.db2.gz DIRPHMFIRQNHKA-UHFFFAOYSA-N 1 2 392.459 3.916 20 30 GHEDLO N#Cc1ccccc1N1CC[NH+](Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000126923220 835246578 /nfs/dbraw/zinc/24/65/78/835246578.db2.gz GTGLPBFGRCDHQO-UHFFFAOYSA-N 1 2 379.414 3.549 20 30 GHEDLO N#CCSc1cccc(-c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)c1 ZINC000500814356 844035530 /nfs/dbraw/zinc/03/55/30/844035530.db2.gz JHBVJSHCIUUYQP-LJQANCHMSA-N 1 2 392.484 3.926 20 30 GHEDLO N#CCSc1cccc(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)c1 ZINC000500814356 844035540 /nfs/dbraw/zinc/03/55/40/844035540.db2.gz JHBVJSHCIUUYQP-LJQANCHMSA-N 1 2 392.484 3.926 20 30 GHEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]1c1ccc(Br)c(C)c1 ZINC000430239170 835330519 /nfs/dbraw/zinc/33/05/19/835330519.db2.gz JQZUNSWJRCURSL-KRWDZBQOSA-N 1 2 378.314 3.657 20 30 GHEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]1c1ccc(Br)c(C)c1 ZINC000430239170 835330528 /nfs/dbraw/zinc/33/05/28/835330528.db2.gz JQZUNSWJRCURSL-KRWDZBQOSA-N 1 2 378.314 3.657 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)c(C#N)c1C ZINC000179632085 835902908 /nfs/dbraw/zinc/90/29/08/835902908.db2.gz JKZCYVVTWOEHNK-JKSUJKDBSA-N 1 2 398.482 3.613 20 30 GHEDLO C=CCC1(NC(=O)C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CCCC1 ZINC000658728995 835954972 /nfs/dbraw/zinc/95/49/72/835954972.db2.gz JBBSHSSDORTTNL-UHFFFAOYSA-N 1 2 392.503 3.830 20 30 GHEDLO C[C@]1(C#N)CCCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000612366834 836124468 /nfs/dbraw/zinc/12/44/68/836124468.db2.gz XQRSANOKKKFCDO-PKOBYXMFSA-N 1 2 390.325 3.738 20 30 GHEDLO CC[C@H](CC#N)[NH2+]CC(=O)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1 ZINC000584478322 836202822 /nfs/dbraw/zinc/20/28/22/836202822.db2.gz PAIZEFURKMQAGV-AEFFLSMTSA-N 1 2 390.443 3.985 20 30 GHEDLO C=CCn1c(CC)nnc1N1CC[NH+]([C@@H](CC)c2ccc(F)cc2F)CC1 ZINC000548948344 836513042 /nfs/dbraw/zinc/51/30/42/836513042.db2.gz NHWWECUDFBHFDQ-SFHVURJKSA-N 1 2 375.467 3.578 20 30 GHEDLO Cc1ccc([C@@H](CNc2c(C#N)cnc3c(C)cccc32)[NH+]2CCOCC2)cc1 ZINC000610273921 837331721 /nfs/dbraw/zinc/33/17/21/837331721.db2.gz CTJDJVQMHTWIFQ-JOCHJYFZSA-N 1 2 386.499 3.631 20 30 GHEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C[C@@H](C)O1 ZINC000580628553 837377621 /nfs/dbraw/zinc/37/76/21/837377621.db2.gz DRVHRZIBMMTKJN-FTIBCMOBSA-N 1 2 389.499 3.910 20 30 GHEDLO COc1ccccc1[C@H]1[C@@H](NC(=O)C(F)(F)F)CCC[N@@H+]1CCCCC#N ZINC000376539022 837947184 /nfs/dbraw/zinc/94/71/84/837947184.db2.gz ZSLKNCRZEKAPRX-RDJZCZTQSA-N 1 2 383.414 3.573 20 30 GHEDLO COc1ccccc1[C@H]1[C@@H](NC(=O)C(F)(F)F)CCC[N@H+]1CCCCC#N ZINC000376539022 837947189 /nfs/dbraw/zinc/94/71/89/837947189.db2.gz ZSLKNCRZEKAPRX-RDJZCZTQSA-N 1 2 383.414 3.573 20 30 GHEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000376616589 838592646 /nfs/dbraw/zinc/59/26/46/838592646.db2.gz AFJWISPOBCQJCR-UHFFFAOYSA-N 1 2 388.269 3.517 20 30 GHEDLO Cn1ccnc1C[NH+]1CCC(C(=O)Nc2cc(C(C)(C)C)sc2C#N)CC1 ZINC000378418595 839071544 /nfs/dbraw/zinc/07/15/44/839071544.db2.gz FMEFOBFGBPPOFD-UHFFFAOYSA-N 1 2 385.537 3.501 20 30 GHEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000046341559 839501613 /nfs/dbraw/zinc/50/16/13/839501613.db2.gz IBEITSRAMITSJH-FGTMMUONSA-N 1 2 393.487 3.573 20 30 GHEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000046341559 839501619 /nfs/dbraw/zinc/50/16/19/839501619.db2.gz IBEITSRAMITSJH-FGTMMUONSA-N 1 2 393.487 3.573 20 30 GHEDLO COc1c(Br)cc(C[N@H+](C)C[C@H](C)C#N)cc1Br ZINC000535787773 844456509 /nfs/dbraw/zinc/45/65/09/844456509.db2.gz KVXVBMAOTAWNHG-SECBINFHSA-N 1 2 376.092 3.812 20 30 GHEDLO COc1c(Br)cc(C[N@@H+](C)C[C@H](C)C#N)cc1Br ZINC000535787773 844456510 /nfs/dbraw/zinc/45/65/10/844456510.db2.gz KVXVBMAOTAWNHG-SECBINFHSA-N 1 2 376.092 3.812 20 30 GHEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046943425 840094661 /nfs/dbraw/zinc/09/46/61/840094661.db2.gz AUAOXNJERUXHSE-UHFFFAOYSA-N 1 2 377.492 3.544 20 30 GHEDLO CC1(C)CO[C@H](c2cccc(Cl)c2)C[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000599468848 861217425 /nfs/dbraw/zinc/21/74/25/861217425.db2.gz QSSGWZPXFMKHIO-MOPGFXCFSA-N 1 2 392.927 3.563 20 30 GHEDLO CC1(C)CO[C@H](c2cccc(Cl)c2)C[N@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000599468848 861217441 /nfs/dbraw/zinc/21/74/41/861217441.db2.gz QSSGWZPXFMKHIO-MOPGFXCFSA-N 1 2 392.927 3.563 20 30 GHEDLO Cc1cc(C2CC[NH+](CC(=O)Nc3ccc4c(c3)OC(F)(F)O4)CC2)[nH]n1 ZINC000329327743 861287852 /nfs/dbraw/zinc/28/78/52/861287852.db2.gz XKNPGJQDYMDWAO-UHFFFAOYSA-N 1 2 378.379 3.507 20 30 GHEDLO Cc1cc(C2CC[NH+](CC(=O)Nc3ccc4c(c3)OC(F)(F)O4)CC2)n[nH]1 ZINC000329327743 861287862 /nfs/dbraw/zinc/28/78/62/861287862.db2.gz XKNPGJQDYMDWAO-UHFFFAOYSA-N 1 2 378.379 3.507 20 30 GHEDLO Cn1ncc(NC(=O)OC(C)(C)C)c1C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000891596529 842398136 /nfs/dbraw/zinc/39/81/36/842398136.db2.gz VHBQKVTWDVTUGA-UHFFFAOYSA-N 1 2 381.480 3.803 20 30 GHEDLO Cn1ncc(NC(=O)OC(C)(C)C)c1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000891596529 842398148 /nfs/dbraw/zinc/39/81/48/842398148.db2.gz VHBQKVTWDVTUGA-UHFFFAOYSA-N 1 2 381.480 3.803 20 30 GHEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2cnc(CC(F)(F)F)s2)CC1 ZINC000891705326 842704765 /nfs/dbraw/zinc/70/47/65/842704765.db2.gz CTBIZKBTTGALEO-UHFFFAOYSA-N 1 2 384.402 3.581 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@@H](c3ccccc3)C3CC3)CC2)cc1 ZINC000432617059 843303103 /nfs/dbraw/zinc/30/31/03/843303103.db2.gz NHHBQAWXVYAXHC-QHCPKHFHSA-N 1 2 388.515 3.579 20 30 GHEDLO Cc1nnc([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc(Br)c3)C2)[nH]1 ZINC000329429919 861409682 /nfs/dbraw/zinc/40/96/82/861409682.db2.gz HYWLQEOGMBYMFM-YPMHNXCESA-N 1 2 392.301 3.732 20 30 GHEDLO Cc1nnc([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc(Br)c3)C2)[nH]1 ZINC000329429919 861409695 /nfs/dbraw/zinc/40/96/95/861409695.db2.gz HYWLQEOGMBYMFM-YPMHNXCESA-N 1 2 392.301 3.732 20 30 GHEDLO O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000330313051 843663062 /nfs/dbraw/zinc/66/30/62/843663062.db2.gz WYJKDPLMRBXXDV-GOSISDBHSA-N 1 2 398.956 3.867 20 30 GHEDLO O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000330313051 843663067 /nfs/dbraw/zinc/66/30/67/843663067.db2.gz WYJKDPLMRBXXDV-GOSISDBHSA-N 1 2 398.956 3.867 20 30 GHEDLO C[C@@H](C#N)CN(C)Cc1cc(Br)ccc1C[N@H+](C)C[C@H](C)C#N ZINC000432944199 844681165 /nfs/dbraw/zinc/68/11/65/844681165.db2.gz QQXQRTIWCOJLFQ-CABCVRRESA-N 1 2 377.330 3.632 20 30 GHEDLO C[C@@H](C#N)CN(C)Cc1cc(Br)ccc1C[N@@H+](C)C[C@H](C)C#N ZINC000432944199 844681168 /nfs/dbraw/zinc/68/11/68/844681168.db2.gz QQXQRTIWCOJLFQ-CABCVRRESA-N 1 2 377.330 3.632 20 30 GHEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000126126845 844716474 /nfs/dbraw/zinc/71/64/74/844716474.db2.gz MQJXIKIHYNDRNA-MAUKXSAKSA-N 1 2 390.270 3.545 20 30 GHEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000126126845 844716482 /nfs/dbraw/zinc/71/64/82/844716482.db2.gz MQJXIKIHYNDRNA-MAUKXSAKSA-N 1 2 390.270 3.545 20 30 GHEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000411195529 845067380 /nfs/dbraw/zinc/06/73/80/845067380.db2.gz SSZDBFWETSTPCB-OXJNMPFZSA-N 1 2 395.459 3.611 20 30 GHEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000411195529 845067420 /nfs/dbraw/zinc/06/74/20/845067420.db2.gz SSZDBFWETSTPCB-OXJNMPFZSA-N 1 2 395.459 3.611 20 30 GHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000614235914 845371973 /nfs/dbraw/zinc/37/19/73/845371973.db2.gz PKSVYCMMGIREOC-GCJKJVERSA-N 1 2 388.471 3.534 20 30 GHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000614235914 845371979 /nfs/dbraw/zinc/37/19/79/845371979.db2.gz PKSVYCMMGIREOC-GCJKJVERSA-N 1 2 388.471 3.534 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[NH+]1[C@@H](C)CC(C(=O)OC)C[C@@H]1C ZINC000599705896 861560980 /nfs/dbraw/zinc/56/09/80/861560980.db2.gz JHUOGSLRZLEBIA-GJZGRUSLSA-N 1 2 376.522 3.565 20 30 GHEDLO COc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512811722 845631391 /nfs/dbraw/zinc/63/13/91/845631391.db2.gz KGTYIPAZMIKLTJ-HNNXBMFYSA-N 1 2 397.450 3.576 20 30 GHEDLO C=CC[N@H+](CC(=O)N1c2ccccc2NC(=O)C12CCCC2)Cc1ccccc1 ZINC000502309346 847745475 /nfs/dbraw/zinc/74/54/75/847745475.db2.gz AEHDXMLACNABDS-UHFFFAOYSA-N 1 2 389.499 3.973 20 30 GHEDLO C=CC[N@@H+](CC(=O)N1c2ccccc2NC(=O)C12CCCC2)Cc1ccccc1 ZINC000502309346 847745478 /nfs/dbraw/zinc/74/54/78/847745478.db2.gz AEHDXMLACNABDS-UHFFFAOYSA-N 1 2 389.499 3.973 20 30 GHEDLO COc1ccc(Cl)cc1CNC(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502505885 847947660 /nfs/dbraw/zinc/94/76/60/847947660.db2.gz HAWLCMNFENSJKD-UHFFFAOYSA-N 1 2 395.890 3.626 20 30 GHEDLO COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502505885 847947668 /nfs/dbraw/zinc/94/76/68/847947668.db2.gz HAWLCMNFENSJKD-UHFFFAOYSA-N 1 2 395.890 3.626 20 30 GHEDLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000135607084 848205176 /nfs/dbraw/zinc/20/51/76/848205176.db2.gz JMXCPGSNNWWABY-KRWDZBQOSA-N 1 2 397.548 3.570 20 30 GHEDLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000135607084 848205185 /nfs/dbraw/zinc/20/51/85/848205185.db2.gz JMXCPGSNNWWABY-KRWDZBQOSA-N 1 2 397.548 3.570 20 30 GHEDLO CSc1nc(C[N@@H+]2CCC[C@](C)(NC(=O)OC(C)(C)C)C2)ccc1C#N ZINC001141929650 862005166 /nfs/dbraw/zinc/00/51/66/862005166.db2.gz ZUJNQXJVRJRKOM-IBGZPJMESA-N 1 2 376.526 3.554 20 30 GHEDLO CSc1nc(C[N@H+]2CCC[C@](C)(NC(=O)OC(C)(C)C)C2)ccc1C#N ZINC001141929650 862005181 /nfs/dbraw/zinc/00/51/81/862005181.db2.gz ZUJNQXJVRJRKOM-IBGZPJMESA-N 1 2 376.526 3.554 20 30 GHEDLO C[N@H+](Cc1ccccc1)[C@@H](CO)c1nc(-c2ccc(C#N)c3ccccc23)no1 ZINC001211570662 849370523 /nfs/dbraw/zinc/37/05/23/849370523.db2.gz DLOJOAGPKUGCDM-NRFANRHFSA-N 1 2 384.439 3.927 20 30 GHEDLO C[N@@H+](Cc1ccccc1)[C@@H](CO)c1nc(-c2ccc(C#N)c3ccccc23)no1 ZINC001211570662 849370534 /nfs/dbraw/zinc/37/05/34/849370534.db2.gz DLOJOAGPKUGCDM-NRFANRHFSA-N 1 2 384.439 3.927 20 30 GHEDLO N#Cc1ccc(CC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cc1 ZINC000504658797 850204475 /nfs/dbraw/zinc/20/44/75/850204475.db2.gz APKLWXCXNCLADO-LJQANCHMSA-N 1 2 385.870 3.847 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC000027882351 850750866 /nfs/dbraw/zinc/75/08/66/850750866.db2.gz HDCDEKVKSIRYTL-OAQYLSRUSA-N 1 2 390.531 3.761 20 30 GHEDLO CCOC1(C)CC[NH+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000428723165 851038559 /nfs/dbraw/zinc/03/85/59/851038559.db2.gz JERHTYQZKYFLDZ-UHFFFAOYSA-N 1 2 375.538 3.718 20 30 GHEDLO N#C[C@@H]1C[N@@H+](Cc2ccccc2Oc2cccnc2)C[C@]12C(=O)Nc1ccccc12 ZINC000513976423 851068971 /nfs/dbraw/zinc/06/89/71/851068971.db2.gz WSXLPIGNQKNLJL-KOSHJBKYSA-N 1 2 396.450 3.719 20 30 GHEDLO N#C[C@@H]1C[N@H+](Cc2ccccc2Oc2cccnc2)C[C@]12C(=O)Nc1ccccc12 ZINC000513976423 851068980 /nfs/dbraw/zinc/06/89/80/851068980.db2.gz WSXLPIGNQKNLJL-KOSHJBKYSA-N 1 2 396.450 3.719 20 30 GHEDLO CCOc1ccccc1C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000514116764 851243784 /nfs/dbraw/zinc/24/37/84/851243784.db2.gz LVYRXNDCBCZHIC-SFHVURJKSA-N 1 2 395.503 3.861 20 30 GHEDLO CCOc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000514116764 851243793 /nfs/dbraw/zinc/24/37/93/851243793.db2.gz LVYRXNDCBCZHIC-SFHVURJKSA-N 1 2 395.503 3.861 20 30 GHEDLO N#Cc1cc(CN(CCn2cc[nH+]c2)Cc2ccc(Br)o2)cs1 ZINC000894476611 851433342 /nfs/dbraw/zinc/43/33/42/851433342.db2.gz QUKGHGWPIRXZJC-UHFFFAOYSA-N 1 2 391.294 3.874 20 30 GHEDLO C=C(C)COc1cc(C[N@@H+]2CCc3nnc(N4CCCC4)cc3C2)ccc1OC ZINC000668874047 851758779 /nfs/dbraw/zinc/75/87/79/851758779.db2.gz CRRPZFFLZNEDHH-UHFFFAOYSA-N 1 2 394.519 3.599 20 30 GHEDLO C=C(C)COc1cc(C[N@H+]2CCc3nnc(N4CCCC4)cc3C2)ccc1OC ZINC000668874047 851758789 /nfs/dbraw/zinc/75/87/89/851758789.db2.gz CRRPZFFLZNEDHH-UHFFFAOYSA-N 1 2 394.519 3.599 20 30 GHEDLO CC1(C)C[N@H+](CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)[C@@H]1[C@@H]1CCCO1 ZINC000329806768 862333326 /nfs/dbraw/zinc/33/33/26/862333326.db2.gz BFSVYOBXMUJZHG-MBMGVGJDSA-N 1 2 389.540 3.715 20 30 GHEDLO CC1(C)C[N@@H+](CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)[C@@H]1[C@@H]1CCCO1 ZINC000329806768 862333345 /nfs/dbraw/zinc/33/33/45/862333345.db2.gz BFSVYOBXMUJZHG-MBMGVGJDSA-N 1 2 389.540 3.715 20 30 GHEDLO CCC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490087177 852763822 /nfs/dbraw/zinc/76/38/22/852763822.db2.gz YSYVNEXWTBJRSE-IBGZPJMESA-N 1 2 398.551 3.719 20 30 GHEDLO CCC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490087177 852763827 /nfs/dbraw/zinc/76/38/27/852763827.db2.gz YSYVNEXWTBJRSE-IBGZPJMESA-N 1 2 398.551 3.719 20 30 GHEDLO O=C(C[N@H+]1CCSC[C@H]1CCO)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000329923461 862428583 /nfs/dbraw/zinc/42/85/83/862428583.db2.gz ULARELQGGHREKO-MRXNPFEDSA-N 1 2 392.521 3.506 20 30 GHEDLO O=C(C[N@@H+]1CCSC[C@H]1CCO)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000329923461 862428586 /nfs/dbraw/zinc/42/85/86/862428586.db2.gz ULARELQGGHREKO-MRXNPFEDSA-N 1 2 392.521 3.506 20 30 GHEDLO COc1ccc(OC)c(C[NH+]2CCN(Cc3ccc(C#N)cc3Cl)CC2)c1 ZINC000439431827 853645285 /nfs/dbraw/zinc/64/52/85/853645285.db2.gz RSJNDZNZLDBAHQ-UHFFFAOYSA-N 1 2 385.895 3.547 20 30 GHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000330013886 862508243 /nfs/dbraw/zinc/50/82/43/862508243.db2.gz MPICQJXCPBZCFZ-GESALYCCSA-N 1 2 375.419 3.927 20 30 GHEDLO Cc1cc(C2CC[NH+](CC(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)n[nH]1 ZINC000543897866 853994022 /nfs/dbraw/zinc/99/40/22/853994022.db2.gz BFUDQTHYNOSKLE-MRXNPFEDSA-N 1 2 397.548 3.931 20 30 GHEDLO Cc1cc(C2CC[NH+](CC(=O)Nc3ccccc3S[C@H](C)CC#N)CC2)[nH]n1 ZINC000543897866 853994031 /nfs/dbraw/zinc/99/40/31/853994031.db2.gz BFUDQTHYNOSKLE-MRXNPFEDSA-N 1 2 397.548 3.931 20 30 GHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000441331506 854117773 /nfs/dbraw/zinc/11/77/73/854117773.db2.gz OIKHFSMNDTTYFJ-IRXDYDNUSA-N 1 2 396.922 3.917 20 30 GHEDLO N#Cc1ccccc1OCC[N@@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000520388909 854160408 /nfs/dbraw/zinc/16/04/08/854160408.db2.gz LRVJQVPLYYUHQY-IBGZPJMESA-N 1 2 387.277 3.773 20 30 GHEDLO N#Cc1ccccc1OCC[N@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000520388909 854160410 /nfs/dbraw/zinc/16/04/10/854160410.db2.gz LRVJQVPLYYUHQY-IBGZPJMESA-N 1 2 387.277 3.773 20 30 GHEDLO O=C(Nc1cccc(-n2cccn2)c1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000328660609 854494353 /nfs/dbraw/zinc/49/43/53/854494353.db2.gz VQXSKSXYGAXOSV-KRWDZBQOSA-N 1 2 390.491 3.830 20 30 GHEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000328692872 854511314 /nfs/dbraw/zinc/51/13/14/854511314.db2.gz JHYPVEAWTHVCBC-ZIFCJYIRSA-N 1 2 378.476 3.521 20 30 GHEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000328692872 854511322 /nfs/dbraw/zinc/51/13/22/854511322.db2.gz JHYPVEAWTHVCBC-ZIFCJYIRSA-N 1 2 378.476 3.521 20 30 GHEDLO O=C(NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)N[C@H]1CCCC12CCOCC2 ZINC000328730631 854539350 /nfs/dbraw/zinc/53/93/50/854539350.db2.gz WQPCZCZCSFBTKJ-BQFCYCMXSA-N 1 2 395.544 3.513 20 30 GHEDLO O=C(NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)N[C@H]1CCCC12CCOCC2 ZINC000328730631 854539356 /nfs/dbraw/zinc/53/93/56/854539356.db2.gz WQPCZCZCSFBTKJ-BQFCYCMXSA-N 1 2 395.544 3.513 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCc3c2cccc3O)[C@H]1c1ccc(F)c(F)c1 ZINC000328967789 854635421 /nfs/dbraw/zinc/63/54/21/854635421.db2.gz TXTXLSLNHUNGPE-WSTZPKSXSA-N 1 2 387.430 3.607 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCc3c2cccc3O)[C@H]1c1ccc(F)c(F)c1 ZINC000328967789 854635428 /nfs/dbraw/zinc/63/54/28/854635428.db2.gz TXTXLSLNHUNGPE-WSTZPKSXSA-N 1 2 387.430 3.607 20 30 GHEDLO CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H](C)c1ccc(C#N)cc1 ZINC000045499420 854942347 /nfs/dbraw/zinc/94/23/47/854942347.db2.gz KYKUXCSCVONVDV-OAHLLOKOSA-N 1 2 389.415 3.875 20 30 GHEDLO N#Cc1cccnc1N1CCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000301153815 855629974 /nfs/dbraw/zinc/62/99/74/855629974.db2.gz FHAGDIGICYSDDZ-UHFFFAOYSA-N 1 2 394.276 3.591 20 30 GHEDLO COc1ccc([C@H](CNc2cc(C#N)nc3ccccc32)[NH+]2CCOCC2)cc1 ZINC000301348427 855674250 /nfs/dbraw/zinc/67/42/50/855674250.db2.gz LMARORFXZYWQAX-QHCPKHFHSA-N 1 2 388.471 3.600 20 30 GHEDLO CN(C)c1ccc([NH+]2CCC(Nc3nc4c(cc3C#N)CCCC4)CC2)cc1 ZINC000301905984 855779693 /nfs/dbraw/zinc/77/96/93/855779693.db2.gz YWPITUHUTDUGFU-UHFFFAOYSA-N 1 2 375.520 3.979 20 30 GHEDLO COc1ccc(-c2nnc(C[NH+]3CCC(Oc4ccc(C#N)cc4)CC3)o2)cc1 ZINC000507788172 855823637 /nfs/dbraw/zinc/82/36/37/855823637.db2.gz KMAGWTVXSRLSFV-UHFFFAOYSA-N 1 2 390.443 3.660 20 30 GHEDLO C=CCn1c(SCc2cc[nH+]c(N)c2)nc2sc3c(c2c1=O)CCCC3 ZINC000193058709 855861756 /nfs/dbraw/zinc/86/17/56/855861756.db2.gz ANSSERFAHXHNQA-UHFFFAOYSA-N 1 2 384.530 3.792 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](Cc3csc(-c4ncccn4)n3)CC2)cc1 ZINC000507862366 856590562 /nfs/dbraw/zinc/59/05/62/856590562.db2.gz VDZDMKIVEDQWRV-UHFFFAOYSA-N 1 2 377.473 3.515 20 30 GHEDLO CC(C)[C@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)c(F)c3)c2C1 ZINC000427751342 856668022 /nfs/dbraw/zinc/66/80/22/856668022.db2.gz CGACDJDSOKHRKL-AWEZNQCLSA-N 1 2 387.480 3.858 20 30 GHEDLO CC(C)[C@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)c(F)c3)c2C1 ZINC000427751342 856668025 /nfs/dbraw/zinc/66/80/25/856668025.db2.gz CGACDJDSOKHRKL-AWEZNQCLSA-N 1 2 387.480 3.858 20 30 GHEDLO CCCNc1ccc(C#N)cc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000173040722 856700779 /nfs/dbraw/zinc/70/07/79/856700779.db2.gz XSHWCDSITUVCST-UHFFFAOYSA-N 1 2 390.403 3.726 20 30 GHEDLO N#Cc1cccc(COc2cccc(C[N@@H+]3CCO[C@@H](COCC4CC4)C3)c2)c1 ZINC000485700786 856974785 /nfs/dbraw/zinc/97/47/85/856974785.db2.gz ZWWCHMHDXKFOTD-XMMPIXPASA-N 1 2 392.499 3.765 20 30 GHEDLO N#Cc1cccc(COc2cccc(C[N@H+]3CCO[C@@H](COCC4CC4)C3)c2)c1 ZINC000485700786 856974789 /nfs/dbraw/zinc/97/47/89/856974789.db2.gz ZWWCHMHDXKFOTD-XMMPIXPASA-N 1 2 392.499 3.765 20 30 GHEDLO Cc1cccc(C#N)c1S(=O)(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC001212367870 857228806 /nfs/dbraw/zinc/22/88/06/857228806.db2.gz VGAJNHQKJSQBFC-OTWHNJEPSA-N 1 2 397.544 3.539 20 30 GHEDLO Cc1cccc(C#N)c1S(=O)(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC001212367870 857228813 /nfs/dbraw/zinc/22/88/13/857228813.db2.gz VGAJNHQKJSQBFC-OTWHNJEPSA-N 1 2 397.544 3.539 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)Nc2nc(Cl)c(C#N)s2)[C@@H]1c1ccc(F)c(F)c1 ZINC000888419018 857636826 /nfs/dbraw/zinc/63/68/26/857636826.db2.gz GOCCFYGYVQTTJX-AAEUAGOBSA-N 1 2 397.838 3.513 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)Nc2nc(Cl)c(C#N)s2)[C@@H]1c1ccc(F)c(F)c1 ZINC000888419018 857636828 /nfs/dbraw/zinc/63/68/28/857636828.db2.gz GOCCFYGYVQTTJX-AAEUAGOBSA-N 1 2 397.838 3.513 20 30 GHEDLO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000466020790 857852885 /nfs/dbraw/zinc/85/28/85/857852885.db2.gz JMWWICUXWGUCID-FCHUYYIVSA-N 1 2 385.471 3.854 20 30 GHEDLO COc1ccc(-c2noc(C[NH2+]C(C)(C)c3cccc(C#N)c3)n2)c(OC)c1 ZINC000595635854 858625229 /nfs/dbraw/zinc/62/52/29/858625229.db2.gz NEXZBHQMBWGAKV-UHFFFAOYSA-N 1 2 378.432 3.650 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](CO)c2cccc(Cl)c2Cl)c(C#N)c1C ZINC000595827955 858701313 /nfs/dbraw/zinc/70/13/13/858701313.db2.gz GEJOMUHHJLBIBG-BONVTDFDSA-N 1 2 396.274 3.725 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H](CC(F)(F)F)O1 ZINC000595893383 858708536 /nfs/dbraw/zinc/70/85/36/858708536.db2.gz WLEXASGEGHAFHX-DYVFJYSZSA-N 1 2 378.398 3.500 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H](CC(F)(F)F)O1 ZINC000595893383 858708540 /nfs/dbraw/zinc/70/85/40/858708540.db2.gz WLEXASGEGHAFHX-DYVFJYSZSA-N 1 2 378.398 3.500 20 30 GHEDLO N#Cc1cc2cccnc2nc1N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000596057625 858759206 /nfs/dbraw/zinc/75/92/06/858759206.db2.gz VLBCCDYSUZEBSV-UHFFFAOYSA-N 1 2 397.404 3.842 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCCc3ccc(C#N)cc3)n2)C1 ZINC000596440271 858898303 /nfs/dbraw/zinc/89/83/03/858898303.db2.gz BSGCMEBCIAFECK-OAHLLOKOSA-N 1 2 383.521 3.611 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCCc3ccc(C#N)cc3)n2)C1 ZINC000596440271 858898311 /nfs/dbraw/zinc/89/83/11/858898311.db2.gz BSGCMEBCIAFECK-OAHLLOKOSA-N 1 2 383.521 3.611 20 30 GHEDLO COC[C@H]([NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(C)o1 ZINC000184704015 858985167 /nfs/dbraw/zinc/98/51/67/858985167.db2.gz KKZIUZGFQYGMSE-YOEHRIQHSA-N 1 2 387.505 3.756 20 30 GHEDLO COc1ccccc1C[NH+]1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000160736455 859144200 /nfs/dbraw/zinc/14/42/00/859144200.db2.gz ZRAUDNNJDFWUOZ-OAQYLSRUSA-N 1 2 392.503 3.567 20 30 GHEDLO Cn1cc(C[N@@H+]2CCC[C@H]2c2ccc(I)cc2)cc1C#N ZINC000483242055 859236130 /nfs/dbraw/zinc/23/61/30/859236130.db2.gz AHVCSDWSKOLOES-KRWDZBQOSA-N 1 2 391.256 3.838 20 30 GHEDLO Cn1cc(C[N@H+]2CCC[C@H]2c2ccc(I)cc2)cc1C#N ZINC000483242055 859236141 /nfs/dbraw/zinc/23/61/41/859236141.db2.gz AHVCSDWSKOLOES-KRWDZBQOSA-N 1 2 391.256 3.838 20 30 GHEDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)CC1(C#N)CCCCC1 ZINC000597130947 859306330 /nfs/dbraw/zinc/30/63/30/859306330.db2.gz SYONOBJMZNVFQS-FQEVSTJZSA-N 1 2 383.536 3.600 20 30 GHEDLO Cc1ccccc1[C@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000466396222 859319618 /nfs/dbraw/zinc/31/96/18/859319618.db2.gz OBOGRCOSBVZGNQ-HZCBDIJESA-N 1 2 388.515 3.640 20 30 GHEDLO COc1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000597230868 859364374 /nfs/dbraw/zinc/36/43/74/859364374.db2.gz UNCXMGDHZMDFBR-NRFANRHFSA-N 1 2 381.432 3.918 20 30 GHEDLO COc1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000597230868 859364381 /nfs/dbraw/zinc/36/43/81/859364381.db2.gz UNCXMGDHZMDFBR-NRFANRHFSA-N 1 2 381.432 3.918 20 30 GHEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000474189002 859568704 /nfs/dbraw/zinc/56/87/04/859568704.db2.gz JUSFTOQFZCMUPH-IMFGXOCKSA-N 1 2 384.442 3.584 20 30 GHEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000474189002 859568711 /nfs/dbraw/zinc/56/87/11/859568711.db2.gz JUSFTOQFZCMUPH-IMFGXOCKSA-N 1 2 384.442 3.584 20 30 GHEDLO N#Cc1cnc(Cl)c(C[NH2+][C@@]2(c3ccc(Br)cc3)C[C@@H](O)C2)c1 ZINC000895511784 859608689 /nfs/dbraw/zinc/60/86/89/859608689.db2.gz CXTBYWODELKCCR-WOVMCDHWSA-N 1 2 392.684 3.509 20 30 GHEDLO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000611346802 859722195 /nfs/dbraw/zinc/72/21/95/859722195.db2.gz KMWYECBYYJPUES-PKOBYXMFSA-N 1 2 393.535 3.569 20 30 GHEDLO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000611346802 859722205 /nfs/dbraw/zinc/72/22/05/859722205.db2.gz KMWYECBYYJPUES-PKOBYXMFSA-N 1 2 393.535 3.569 20 30 GHEDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCC3(C#N)CCCCC3)c2C1 ZINC000598302790 860206588 /nfs/dbraw/zinc/20/65/88/860206588.db2.gz PZLBDZBPJHYLKY-UHFFFAOYSA-N 1 2 376.504 3.817 20 30 GHEDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCC3(C#N)CCCCC3)c2C1 ZINC000598302790 860206593 /nfs/dbraw/zinc/20/65/93/860206593.db2.gz PZLBDZBPJHYLKY-UHFFFAOYSA-N 1 2 376.504 3.817 20 30 GHEDLO C#CC[N@@H+](CC(=O)Nc1nnc(-c2sccc2C)o1)[C@H]1CCc2ccccc21 ZINC000727758044 860218284 /nfs/dbraw/zinc/21/82/84/860218284.db2.gz LBEMZWSDOIPVNS-KRWDZBQOSA-N 1 2 392.484 3.668 20 30 GHEDLO C#CC[N@H+](CC(=O)Nc1nnc(-c2sccc2C)o1)[C@H]1CCc2ccccc21 ZINC000727758044 860218296 /nfs/dbraw/zinc/21/82/96/860218296.db2.gz LBEMZWSDOIPVNS-KRWDZBQOSA-N 1 2 392.484 3.668 20 30 GHEDLO C[C@H](c1nnc(-c2ccc3ccccc3c2)o1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602851910 860314575 /nfs/dbraw/zinc/31/45/75/860314575.db2.gz YDSNCHSSZJHBOG-IXDOHACOSA-N 1 2 375.476 3.869 20 30 GHEDLO C[C@H](c1nnc(-c2ccc3ccccc3c2)o1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602851910 860314579 /nfs/dbraw/zinc/31/45/79/860314579.db2.gz YDSNCHSSZJHBOG-IXDOHACOSA-N 1 2 375.476 3.869 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@H](c2cccnc2)C1 ZINC000602855967 860316524 /nfs/dbraw/zinc/31/65/24/860316524.db2.gz QTJRKNXZHSKASK-ZBFHGGJFSA-N 1 2 380.517 3.710 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@H](c2cccnc2)C1 ZINC000602855967 860316530 /nfs/dbraw/zinc/31/65/30/860316530.db2.gz QTJRKNXZHSKASK-ZBFHGGJFSA-N 1 2 380.517 3.710 20 30 GHEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000093669903 860327598 /nfs/dbraw/zinc/32/75/98/860327598.db2.gz PPLCJIYEBCYXMP-INIZCTEOSA-N 1 2 379.895 3.738 20 30 GHEDLO CC(=O)N1CC[N@@H+]([C@@H](C)C(=O)Nc2cc(F)ccc2C)CC12CCCCC2 ZINC000329026777 860956875 /nfs/dbraw/zinc/95/68/75/860956875.db2.gz JYIIDTGMSLIFEH-INIZCTEOSA-N 1 2 375.488 3.978 20 30 GHEDLO CC(=O)N1CC[N@H+]([C@@H](C)C(=O)Nc2cc(F)ccc2C)CC12CCCCC2 ZINC000329026777 860956881 /nfs/dbraw/zinc/95/68/81/860956881.db2.gz JYIIDTGMSLIFEH-INIZCTEOSA-N 1 2 375.488 3.978 20 30 GHEDLO C#CCOc1ccc([C@H](C)OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000730426256 861106406 /nfs/dbraw/zinc/10/64/06/861106406.db2.gz USSDTFUAOLLTKU-HNNXBMFYSA-N 1 2 391.383 3.711 20 30 GHEDLO C=CCOc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1OC ZINC000063110092 864191413 /nfs/dbraw/zinc/19/14/13/864191413.db2.gz ZBPXRFALMKJTHJ-UHFFFAOYSA-N 1 2 381.407 3.515 20 30 GHEDLO Cc1csc([C@@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)n1 ZINC000184237548 864265376 /nfs/dbraw/zinc/26/53/76/864265376.db2.gz JDTHZRKAKHRUKZ-CQSZACIVSA-N 1 2 397.504 3.672 20 30 GHEDLO CCn1nccc1C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000897054508 864370361 /nfs/dbraw/zinc/37/03/61/864370361.db2.gz ICICNIUKBGEVGT-AOOOYVTPSA-N 1 2 377.279 3.506 20 30 GHEDLO CCn1nccc1C[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000897054508 864370376 /nfs/dbraw/zinc/37/03/76/864370376.db2.gz ICICNIUKBGEVGT-AOOOYVTPSA-N 1 2 377.279 3.506 20 30 GHEDLO CCCn1nccc1C[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000897056044 864372448 /nfs/dbraw/zinc/37/24/48/864372448.db2.gz SWGZCFZPGLOXSC-GHMZBOCLSA-N 1 2 391.306 3.896 20 30 GHEDLO N#Cc1cccc(C[NH+]2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n1 ZINC000897056887 864373780 /nfs/dbraw/zinc/37/37/80/864373780.db2.gz ZEQRUPMTDWCJKP-GHMZBOCLSA-N 1 2 385.258 3.556 20 30 GHEDLO C=CC[C@H](NC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)c1ccncc1 ZINC000734682888 864381542 /nfs/dbraw/zinc/38/15/42/864381542.db2.gz HBIDYYAHNGQRQG-LPLSSMDUSA-N 1 2 376.504 3.739 20 30 GHEDLO C=CC[C@H](NC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccncc1 ZINC000734682886 864381916 /nfs/dbraw/zinc/38/19/16/864381916.db2.gz HBIDYYAHNGQRQG-FLVSMNSFSA-N 1 2 376.504 3.739 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCCN(CC(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000025933848 864809872 /nfs/dbraw/zinc/80/98/72/864809872.db2.gz OPSPUJPRSLGQMQ-UHFFFAOYSA-N 1 2 391.559 3.851 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCCN(CC(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000025933848 864809891 /nfs/dbraw/zinc/80/98/91/864809891.db2.gz OPSPUJPRSLGQMQ-UHFFFAOYSA-N 1 2 391.559 3.851 20 30 GHEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000475346837 864835968 /nfs/dbraw/zinc/83/59/68/864835968.db2.gz IWPFJSYINIRBPS-HXUWFJFHSA-N 1 2 392.894 3.508 20 30 GHEDLO CC(=NNC(=S)Nc1cccc(C)c1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735610694 864879809 /nfs/dbraw/zinc/87/98/09/864879809.db2.gz TYQRFPONEBBFNN-OAQYLSRUSA-N 1 2 396.560 3.867 20 30 GHEDLO CC(=NNC(=S)Nc1cccc(C)c1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735610694 864879816 /nfs/dbraw/zinc/87/98/16/864879816.db2.gz TYQRFPONEBBFNN-OAQYLSRUSA-N 1 2 396.560 3.867 20 30 GHEDLO CC(=NNC(=S)Nc1ccccc1C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735610759 864880132 /nfs/dbraw/zinc/88/01/32/864880132.db2.gz WIYGYJVEGZYZCP-FQEVSTJZSA-N 1 2 382.533 3.558 20 30 GHEDLO CC(=NNC(=S)Nc1ccccc1C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735610759 864880135 /nfs/dbraw/zinc/88/01/35/864880135.db2.gz WIYGYJVEGZYZCP-FQEVSTJZSA-N 1 2 382.533 3.558 20 30 GHEDLO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)o1 ZINC000184796075 864946320 /nfs/dbraw/zinc/94/63/20/864946320.db2.gz HFXSLSABWSIOMT-YVEFUNNKSA-N 1 2 375.856 3.671 20 30 GHEDLO N#Cc1ccc(C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c(Br)c1 ZINC000480655500 865049914 /nfs/dbraw/zinc/04/99/14/865049914.db2.gz SUJDYAQVEJYYSR-UHFFFAOYSA-N 1 2 384.277 3.584 20 30 GHEDLO N#Cc1ccc(C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c(Br)c1 ZINC000480655500 865049920 /nfs/dbraw/zinc/04/99/20/865049920.db2.gz SUJDYAQVEJYYSR-UHFFFAOYSA-N 1 2 384.277 3.584 20 30 GHEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@H](Cc2ccccc2)C2CC2)CC1=O ZINC000736729388 865268849 /nfs/dbraw/zinc/26/88/49/865268849.db2.gz KEZGWHRWNWDACI-HXUWFJFHSA-N 1 2 386.499 3.667 20 30 GHEDLO COCC[N@H+](CC(=O)N[C@@H](c1ccc(C)cc1)C1CC1)Cc1ccc(C#N)cc1 ZINC000063753932 865303659 /nfs/dbraw/zinc/30/36/59/865303659.db2.gz CSEJKZNNXAZJRG-DEOSSOPVSA-N 1 2 391.515 3.583 20 30 GHEDLO COCC[N@@H+](CC(=O)N[C@@H](c1ccc(C)cc1)C1CC1)Cc1ccc(C#N)cc1 ZINC000063753932 865303674 /nfs/dbraw/zinc/30/36/74/865303674.db2.gz CSEJKZNNXAZJRG-DEOSSOPVSA-N 1 2 391.515 3.583 20 30 GHEDLO C=CCN1CC[C@@H]([N@@H+](CC(=O)Nc2ccccc2C(F)(F)F)[C@@H](C)CC)C1=O ZINC000282003557 865486324 /nfs/dbraw/zinc/48/63/24/865486324.db2.gz NQRJTAAFLFFGNR-WMLDXEAASA-N 1 2 397.441 3.531 20 30 GHEDLO C=CCN1CC[C@@H]([N@H+](CC(=O)Nc2ccccc2C(F)(F)F)[C@@H](C)CC)C1=O ZINC000282003557 865486327 /nfs/dbraw/zinc/48/63/27/865486327.db2.gz NQRJTAAFLFFGNR-WMLDXEAASA-N 1 2 397.441 3.531 20 30 GHEDLO C=CCn1c([C@@H]2COc3ccccc3O2)nn(C[N@@H+](CC)C2CCC2)c1=S ZINC000738054416 865488484 /nfs/dbraw/zinc/48/84/84/865488484.db2.gz PDNIGNVNOWGBRO-SFHVURJKSA-N 1 2 386.521 3.944 20 30 GHEDLO C=CCn1c([C@@H]2COc3ccccc3O2)nn(C[N@H+](CC)C2CCC2)c1=S ZINC000738054416 865488487 /nfs/dbraw/zinc/48/84/87/865488487.db2.gz PDNIGNVNOWGBRO-SFHVURJKSA-N 1 2 386.521 3.944 20 30 GHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2Cc3ccc(C#N)cc3C2)c(C)c1 ZINC000594229606 865517537 /nfs/dbraw/zinc/51/75/37/865517537.db2.gz JOWRZWBSYGEEBF-QFIPXVFZSA-N 1 2 385.471 3.838 20 30 GHEDLO CO[C@H](C)c1cccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000608893324 865821072 /nfs/dbraw/zinc/82/10/72/865821072.db2.gz RMDPOQALLSNFCL-QGZVFWFLSA-N 1 2 378.476 3.615 20 30 GHEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000739904293 865825358 /nfs/dbraw/zinc/82/53/58/865825358.db2.gz QTTCCWQTMLZRJF-YLJYHZDGSA-N 1 2 375.428 3.793 20 30 GHEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000739904293 865825369 /nfs/dbraw/zinc/82/53/69/865825369.db2.gz QTTCCWQTMLZRJF-YLJYHZDGSA-N 1 2 375.428 3.793 20 30 GHEDLO C=CCC1(CNC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)CCCC1 ZINC000456490594 866720238 /nfs/dbraw/zinc/72/02/38/866720238.db2.gz XIJZPMNHHNRGOC-UHFFFAOYSA-N 1 2 380.492 3.778 20 30 GHEDLO C=CCn1c2nn(C[N@@H+]3C[C@@H](C)CCC[C@H]3C)c(=S)n2c2ccccc2c1=O ZINC000742154164 867107731 /nfs/dbraw/zinc/10/77/31/867107731.db2.gz DSNHFZDUIMNMKP-JKSUJKDBSA-N 1 2 397.548 3.834 20 30 GHEDLO C=CCn1c2nn(C[N@H+]3C[C@@H](C)CCC[C@H]3C)c(=S)n2c2ccccc2c1=O ZINC000742154164 867107740 /nfs/dbraw/zinc/10/77/40/867107740.db2.gz DSNHFZDUIMNMKP-JKSUJKDBSA-N 1 2 397.548 3.834 20 30 GHEDLO C#CCOc1cccc(NC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c1 ZINC000743148181 867900067 /nfs/dbraw/zinc/90/00/67/867900067.db2.gz WMTDNROSAKJNDY-UHFFFAOYSA-N 1 2 392.503 3.555 20 30 GHEDLO C=CCc1cc(CNC(=O)Nc2ccc3[nH+]c(C)cn3c2)cc(OC)c1OC ZINC000524127093 868575202 /nfs/dbraw/zinc/57/52/02/868575202.db2.gz BSWMFNWHUXWLFX-UHFFFAOYSA-N 1 2 380.448 3.710 20 30 GHEDLO CCC(CC)C[N@H+](CCC#N)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000744405823 868815143 /nfs/dbraw/zinc/81/51/43/868815143.db2.gz XDIXGHIBVMAXKS-GOSISDBHSA-N 1 2 375.476 3.876 20 30 GHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000744405823 868815162 /nfs/dbraw/zinc/81/51/62/868815162.db2.gz XDIXGHIBVMAXKS-GOSISDBHSA-N 1 2 375.476 3.876 20 30 GHEDLO CC[NH+](CC)[C@H](C(=O)O[C@H](C)C(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000744995156 869219186 /nfs/dbraw/zinc/21/91/86/869219186.db2.gz ATWTZKXLBFQGOG-UZLBHIALSA-N 1 2 379.460 3.512 20 30 GHEDLO C[C@@H](C(=O)N1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1)c1cccc(C#N)c1 ZINC000462559570 869652069 /nfs/dbraw/zinc/65/20/69/869652069.db2.gz YMISZHXDAZCJJW-APWZRJJASA-N 1 2 394.544 3.631 20 30 GHEDLO C[C@@H](C(=O)N1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1)c1cccc(C#N)c1 ZINC000462559570 869652074 /nfs/dbraw/zinc/65/20/74/869652074.db2.gz YMISZHXDAZCJJW-APWZRJJASA-N 1 2 394.544 3.631 20 30 GHEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000746050411 869972260 /nfs/dbraw/zinc/97/22/60/869972260.db2.gz GFGVJVDEQDHZEI-UHFFFAOYSA-N 1 2 398.444 3.850 20 30 GHEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000746050411 869972268 /nfs/dbraw/zinc/97/22/68/869972268.db2.gz GFGVJVDEQDHZEI-UHFFFAOYSA-N 1 2 398.444 3.850 20 30 GHEDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1ccc(Cl)c(C#N)c1 ZINC000538686208 870346061 /nfs/dbraw/zinc/34/60/61/870346061.db2.gz RVLIOISELIJEGN-QGZVFWFLSA-N 1 2 397.906 3.575 20 30 GHEDLO C=CCO[C@@H]1CC[N@@H+](CC(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)C1 ZINC001192499142 870436622 /nfs/dbraw/zinc/43/66/22/870436622.db2.gz ARCPMCOAHMLBLH-QGZVFWFLSA-N 1 2 385.533 3.951 20 30 GHEDLO C=CCO[C@@H]1CC[N@H+](CC(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)C1 ZINC001192499142 870436626 /nfs/dbraw/zinc/43/66/26/870436626.db2.gz ARCPMCOAHMLBLH-QGZVFWFLSA-N 1 2 385.533 3.951 20 30 GHEDLO N#Cc1c2c(cn(C[N@H+]3CC[C@H](Sc4cccc(Cl)c4)C3)c1=O)CCC2 ZINC000793792376 882413566 /nfs/dbraw/zinc/41/35/66/882413566.db2.gz PRDXKMMHTGUBSR-KRWDZBQOSA-N 1 2 385.920 3.686 20 30 GHEDLO N#Cc1c2c(cn(C[N@@H+]3CC[C@H](Sc4cccc(Cl)c4)C3)c1=O)CCC2 ZINC000793792376 882413571 /nfs/dbraw/zinc/41/35/71/882413571.db2.gz PRDXKMMHTGUBSR-KRWDZBQOSA-N 1 2 385.920 3.686 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3ccc(C(F)F)cc3)CC2)cc1 ZINC000463020721 870702077 /nfs/dbraw/zinc/70/20/77/870702077.db2.gz MVGREGOYOOMQJL-UHFFFAOYSA-N 1 2 384.430 3.523 20 30 GHEDLO C[C@@H]([NH2+]Cc1ccccc1C#N)c1ccc(Br)cc1OCCCO ZINC000463031134 870730203 /nfs/dbraw/zinc/73/02/03/870730203.db2.gz XAWFFZHMQFTPHA-CQSZACIVSA-N 1 2 389.293 3.933 20 30 GHEDLO COc1ccc(F)cc1C[NH+]1CCN(c2ccc3cc(C#N)ccc3n2)CC1 ZINC000538979625 871022272 /nfs/dbraw/zinc/02/22/72/871022272.db2.gz RLHJJONQMXDSPG-UHFFFAOYSA-N 1 2 376.435 3.576 20 30 GHEDLO C[C@H](CCc1cccc(F)c1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000463277233 871313274 /nfs/dbraw/zinc/31/32/74/871313274.db2.gz CDNDFVJOKPAHDK-GOSISDBHSA-N 1 2 379.479 3.610 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)Nc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000441238646 871356188 /nfs/dbraw/zinc/35/61/88/871356188.db2.gz ZBQUITLSEMPAHT-KRWDZBQOSA-N 1 2 378.476 3.695 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)Nc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000441238646 871356204 /nfs/dbraw/zinc/35/62/04/871356204.db2.gz ZBQUITLSEMPAHT-KRWDZBQOSA-N 1 2 378.476 3.695 20 30 GHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)CCc1cccc(Br)c1 ZINC000463424801 871705036 /nfs/dbraw/zinc/70/50/36/871705036.db2.gz PURGYQXEPDTYCL-SFHVURJKSA-N 1 2 387.277 3.709 20 30 GHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)CCc1cccc(Br)c1 ZINC000463424801 871705051 /nfs/dbraw/zinc/70/50/51/871705051.db2.gz PURGYQXEPDTYCL-SFHVURJKSA-N 1 2 387.277 3.709 20 30 GHEDLO C[C@@H]1CN(c2ccc(NCc3cccc(OCCCC#N)c3)c[nH+]2)C[C@H](C)O1 ZINC000525998005 871915040 /nfs/dbraw/zinc/91/50/40/871915040.db2.gz RWMHPARBBRAHCI-HDICACEKSA-N 1 2 380.492 3.990 20 30 GHEDLO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000618752759 871951518 /nfs/dbraw/zinc/95/15/18/871951518.db2.gz XRSSDUNAARCDAN-QFIPXVFZSA-N 1 2 399.970 3.867 20 30 GHEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)CC1 ZINC000618854372 872080555 /nfs/dbraw/zinc/08/05/55/872080555.db2.gz VRDZAFCEVDKWHT-MGPUTAFESA-N 1 2 380.517 3.695 20 30 GHEDLO CCOc1cccc(C[N@H+](CCO)Cc2ccc(Br)cc2C#N)c1 ZINC001195153473 872219969 /nfs/dbraw/zinc/21/99/69/872219969.db2.gz BYDUQGQLEJVGEO-UHFFFAOYSA-N 1 2 389.293 3.714 20 30 GHEDLO CCOc1cccc(C[N@@H+](CCO)Cc2ccc(Br)cc2C#N)c1 ZINC001195153473 872219982 /nfs/dbraw/zinc/21/99/82/872219982.db2.gz BYDUQGQLEJVGEO-UHFFFAOYSA-N 1 2 389.293 3.714 20 30 GHEDLO N#Cc1ccccc1COc1cccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000152951716 872500112 /nfs/dbraw/zinc/50/01/12/872500112.db2.gz MLDGUTAXUXKZAL-NRFANRHFSA-N 1 2 398.466 3.541 20 30 GHEDLO N#Cc1cnc2c(Br)cccc2c1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000619651115 872845176 /nfs/dbraw/zinc/84/51/76/872845176.db2.gz BZESZCPKZUWZMR-AWEZNQCLSA-N 1 2 382.265 3.907 20 30 GHEDLO C[C@@H](c1cccc(NC(=O)NCc2ccc(C#N)c(Cl)c2)c1)[NH+]1CCOCC1 ZINC000619788335 873028491 /nfs/dbraw/zinc/02/84/91/873028491.db2.gz NCXQZJAXRONNHP-HNNXBMFYSA-N 1 2 398.894 3.927 20 30 GHEDLO Cc1cc(C[NH+]2CCN(c3c(C#N)cnc4c(Cl)cc(C)cc43)CC2)on1 ZINC000619792153 873035550 /nfs/dbraw/zinc/03/55/50/873035550.db2.gz OOMPWLNOLZYSQM-UHFFFAOYSA-N 1 2 381.867 3.687 20 30 GHEDLO N#Cc1ccccc1COc1ccc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000609131215 873782577 /nfs/dbraw/zinc/78/25/77/873782577.db2.gz KLJOBLKYYVECPJ-OAQYLSRUSA-N 1 2 386.455 3.811 20 30 GHEDLO CCc1ccc([C@H](COC)[NH2+]CC(=O)N(CCC#N)c2cccc(C)c2C)o1 ZINC000541628830 873992430 /nfs/dbraw/zinc/99/24/30/873992430.db2.gz PPRVNHBHRVJGRD-IBGZPJMESA-N 1 2 383.492 3.683 20 30 GHEDLO COc1cc(C[NH2+]C[C@H](C)C#N)ccc1OCC(=O)Nc1ccccc1Cl ZINC000541762037 874229046 /nfs/dbraw/zinc/22/90/46/874229046.db2.gz MTVCGCDDXWGPTG-CQSZACIVSA-N 1 2 387.867 3.615 20 30 GHEDLO CC[C@H]1C[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)CCS1 ZINC000464790362 874504159 /nfs/dbraw/zinc/50/41/59/874504159.db2.gz QPTWANOHZVPNIL-IBGZPJMESA-N 1 2 396.560 3.791 20 30 GHEDLO CC[C@H]1C[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)CCS1 ZINC000464790362 874504164 /nfs/dbraw/zinc/50/41/64/874504164.db2.gz QPTWANOHZVPNIL-IBGZPJMESA-N 1 2 396.560 3.791 20 30 GHEDLO C#C[C@H](NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21)c1ccc(Cl)cc1F ZINC000804425241 882835079 /nfs/dbraw/zinc/83/50/79/882835079.db2.gz UFDNMRAYINRFBP-INIZCTEOSA-N 1 2 391.780 3.906 20 30 GHEDLO COc1cccc([C@H]([NH2+]CC(=O)N[C@](C)(C#N)C2CC2)c2ccccc2Cl)c1 ZINC000172921595 876015889 /nfs/dbraw/zinc/01/58/89/876015889.db2.gz FWQABWCNFOTXPZ-FCHUYYIVSA-N 1 2 397.906 3.836 20 30 GHEDLO N#Cc1ccnc(N2CCN(c3[nH+]ccc4cc(C(F)(F)F)ccc43)CC2)c1 ZINC000450243493 876121383 /nfs/dbraw/zinc/12/13/83/876121383.db2.gz NQFHQZZATAHUAW-UHFFFAOYSA-N 1 2 383.377 3.847 20 30 GHEDLO C[N@@H+]1CCO[C@@H]([C@@H](Nc2cccc(C#N)c2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000450403589 876383234 /nfs/dbraw/zinc/38/32/34/876383234.db2.gz BMKUUDUEJHMFPC-MSOLQXFVSA-N 1 2 386.839 3.604 20 30 GHEDLO C[N@H+]1CCO[C@@H]([C@@H](Nc2cccc(C#N)c2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000450403589 876383249 /nfs/dbraw/zinc/38/32/49/876383249.db2.gz BMKUUDUEJHMFPC-MSOLQXFVSA-N 1 2 386.839 3.604 20 30 GHEDLO Cc1ccc(Br)cc1C[N@@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000450618959 876692485 /nfs/dbraw/zinc/69/24/85/876692485.db2.gz VXONEWUWTPWLPG-FOIQADDNSA-N 1 2 396.288 3.603 20 30 GHEDLO Cc1ccc(Br)cc1C[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000450618959 876692491 /nfs/dbraw/zinc/69/24/91/876692491.db2.gz VXONEWUWTPWLPG-FOIQADDNSA-N 1 2 396.288 3.603 20 30 GHEDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[NH+]1CCC(Nc2ccc(C#N)cc2)CC1 ZINC000450785089 876886453 /nfs/dbraw/zinc/88/64/53/876886453.db2.gz DQDBGIREDHURIJ-INIZCTEOSA-N 1 2 383.517 3.599 20 30 GHEDLO Cc1cc(-c2nnc(C[NH+]3CCC(Oc4ccc(C#N)cc4)CC3)o2)c(C)o1 ZINC000551500446 877310227 /nfs/dbraw/zinc/31/02/27/877310227.db2.gz OTJUQIDSZYVQNF-UHFFFAOYSA-N 1 2 378.432 3.862 20 30 GHEDLO C[C@H](CS(C)(=O)=O)[N@H+](Cc1cccc(OCc2ccccc2C#N)c1)C1CC1 ZINC000093392990 912238754 /nfs/dbraw/zinc/23/87/54/912238754.db2.gz CRNRPTLYGPRYHD-QGZVFWFLSA-N 1 2 398.528 3.535 20 30 GHEDLO C[C@H](CS(C)(=O)=O)[N@@H+](Cc1cccc(OCc2ccccc2C#N)c1)C1CC1 ZINC000093392990 912238772 /nfs/dbraw/zinc/23/87/72/912238772.db2.gz CRNRPTLYGPRYHD-QGZVFWFLSA-N 1 2 398.528 3.535 20 30 GHEDLO C=CCc1ccc(OCC(=O)OCC2CCN(c3cccc[nH+]3)CC2)c(OC)c1 ZINC000851398391 877660757 /nfs/dbraw/zinc/66/07/57/877660757.db2.gz UKXUZXYNBXJVKY-UHFFFAOYSA-N 1 2 396.487 3.657 20 30 GHEDLO N#Cc1ccc(CN2CCC[N@H+](Cc3c(C4CC4)nc4sccn34)CC2)cc1 ZINC000179639071 877810598 /nfs/dbraw/zinc/81/05/98/877810598.db2.gz VHQPSFFGWQVNKX-UHFFFAOYSA-N 1 2 391.544 3.853 20 30 GHEDLO N#Cc1ccc(CN2CCC[N@@H+](Cc3c(C4CC4)nc4sccn34)CC2)cc1 ZINC000179639071 877810604 /nfs/dbraw/zinc/81/06/04/877810604.db2.gz VHQPSFFGWQVNKX-UHFFFAOYSA-N 1 2 391.544 3.853 20 30 GHEDLO N#Cc1ccc(-c2ccn(C[NH+]3CCC(c4ncc5n4CCCC5)CC3)n2)cc1 ZINC000788381584 878045247 /nfs/dbraw/zinc/04/52/47/878045247.db2.gz FVWSHZAQZXLOSC-UHFFFAOYSA-N 1 2 386.503 3.792 20 30 GHEDLO CO[C@H]1CC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1(C)C ZINC000451562361 878200424 /nfs/dbraw/zinc/20/04/24/878200424.db2.gz JKFOURIMMAOFCA-KRWDZBQOSA-N 1 2 375.538 3.574 20 30 GHEDLO CO[C@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1(C)C ZINC000451562361 878200446 /nfs/dbraw/zinc/20/04/46/878200446.db2.gz JKFOURIMMAOFCA-KRWDZBQOSA-N 1 2 375.538 3.574 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000451652888 878268461 /nfs/dbraw/zinc/26/84/61/878268461.db2.gz LQUKCXMCTWWLEU-WMLDXEAASA-N 1 2 375.563 3.847 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCSC[C@@H]1C1CC1 ZINC000451652888 878268465 /nfs/dbraw/zinc/26/84/65/878268465.db2.gz LQUKCXMCTWWLEU-WMLDXEAASA-N 1 2 375.563 3.847 20 30 GHEDLO Cc1c[nH+]c(N(C)Cc2cccc(C#N)c2)nc1N(C)Cc1cccc(C#N)c1 ZINC000530776482 878473488 /nfs/dbraw/zinc/47/34/88/878473488.db2.gz SQOGLNHBYFYFOA-UHFFFAOYSA-N 1 2 382.471 3.801 20 30 GHEDLO CC(C)(C)OC(=O)[C@H]1c2ccccc2CC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000852779734 878594321 /nfs/dbraw/zinc/59/43/21/878594321.db2.gz IFKQWQPYJXQYTB-NHCUHLMSSA-N 1 2 378.472 3.533 20 30 GHEDLO CC(C)(C)OC(=O)[C@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000852779734 878594330 /nfs/dbraw/zinc/59/43/30/878594330.db2.gz IFKQWQPYJXQYTB-NHCUHLMSSA-N 1 2 378.472 3.533 20 30 GHEDLO CC/C(=C\C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(OC)cc1 ZINC000746805600 878876041 /nfs/dbraw/zinc/87/60/41/878876041.db2.gz ARLUQKUZEOASJI-LTGZKZEYSA-N 1 2 389.499 3.705 20 30 GHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1nc(Cc2ccc(OC)c(OC)c2)oc1=S ZINC000853597851 879155583 /nfs/dbraw/zinc/15/55/83/879155583.db2.gz HGOIWKQPTFLZQO-IYBDPMFKSA-N 1 2 387.505 3.954 20 30 GHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1nc(Cc2ccc(OC)c(OC)c2)oc1=S ZINC000853597851 879155592 /nfs/dbraw/zinc/15/55/92/879155592.db2.gz HGOIWKQPTFLZQO-IYBDPMFKSA-N 1 2 387.505 3.954 20 30 GHEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(Oc3cccnc3)c(C)c2)n1 ZINC000789762265 879242193 /nfs/dbraw/zinc/24/21/93/879242193.db2.gz UPMSKTRTJIVOFG-UHFFFAOYSA-N 1 2 390.487 3.661 20 30 GHEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(Oc3cccnc3)c(C)c2)n1 ZINC000789762265 879242212 /nfs/dbraw/zinc/24/22/12/879242212.db2.gz UPMSKTRTJIVOFG-UHFFFAOYSA-N 1 2 390.487 3.661 20 30 GHEDLO Cc1[nH+]cn(-c2ccc(NS(=O)(=O)c3ccc(C#N)c(Cl)c3)cc2)c1C ZINC000461209623 879353356 /nfs/dbraw/zinc/35/33/56/879353356.db2.gz DTYGNLQEYUPRNG-UHFFFAOYSA-N 1 2 386.864 3.815 20 30 GHEDLO COc1c(C)c[nH+]c(CNC(=O)Nc2cccc(C#Cc3ccccn3)c2)c1C ZINC000111770082 879404629 /nfs/dbraw/zinc/40/46/29/879404629.db2.gz LYPRUIUMWWYGPX-UHFFFAOYSA-N 1 2 386.455 3.824 20 30 GHEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000790272213 879584285 /nfs/dbraw/zinc/58/42/85/879584285.db2.gz UBJYSVGLKRROQG-NRFANRHFSA-N 1 2 379.460 3.774 20 30 GHEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000790272213 879584295 /nfs/dbraw/zinc/58/42/95/879584295.db2.gz UBJYSVGLKRROQG-NRFANRHFSA-N 1 2 379.460 3.774 20 30 GHEDLO CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000532124261 881187219 /nfs/dbraw/zinc/18/72/19/881187219.db2.gz SIKKXTBUHOGPDV-GOSISDBHSA-N 1 2 385.309 3.989 20 30 GHEDLO C=C(C)[C@@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccc(F)c(F)c1 ZINC000187539167 881225475 /nfs/dbraw/zinc/22/54/75/881225475.db2.gz SKSGUSWIRBJVBQ-HXUWFJFHSA-N 1 2 386.446 3.945 20 30 GHEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@@H](O)Cc3ccccc3C(F)(F)F)CCO2)c1 ZINC000761765023 884151130 /nfs/dbraw/zinc/15/11/30/884151130.db2.gz HIHNKHZHCFUUKY-AZUAARDMSA-N 1 2 390.405 3.554 20 30 GHEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@@H](O)Cc3ccccc3C(F)(F)F)CCO2)c1 ZINC000761765023 884151135 /nfs/dbraw/zinc/15/11/35/884151135.db2.gz HIHNKHZHCFUUKY-AZUAARDMSA-N 1 2 390.405 3.554 20 30 GHEDLO C=CCOc1ccc(COC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)cc1 ZINC000805919384 884203185 /nfs/dbraw/zinc/20/31/85/884203185.db2.gz BENBZYGJVTYTEA-UHFFFAOYSA-N 1 2 386.517 3.972 20 30 GHEDLO C=CCOc1c(Br)cc(C[NH2+]Cc2nc(C#N)cs2)cc1OC ZINC000897633249 884221010 /nfs/dbraw/zinc/22/10/10/884221010.db2.gz YSPUFNLFHKXMQE-UHFFFAOYSA-N 1 2 394.294 3.640 20 30 GHEDLO CC(=[NH+]Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1ccc(N(C)C)cc1 ZINC000914699322 884546660 /nfs/dbraw/zinc/54/66/60/884546660.db2.gz BATXRLXAFAAAEX-UHFFFAOYSA-N 1 2 385.411 3.882 20 30 GHEDLO Cn1nc(C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)cc1C(F)(F)F ZINC000898021653 884558313 /nfs/dbraw/zinc/55/83/13/884558313.db2.gz PHIGQAAARANXDR-UHFFFAOYSA-N 1 2 385.283 3.809 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001183840902 912843938 /nfs/dbraw/zinc/84/39/38/912843938.db2.gz JNDZWAPWKLHSMQ-BDTNDASRSA-N 1 2 377.463 3.724 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001183840902 912843958 /nfs/dbraw/zinc/84/39/58/912843958.db2.gz JNDZWAPWKLHSMQ-BDTNDASRSA-N 1 2 377.463 3.724 20 30 GHEDLO N#Cc1cccc(OC2CC[NH+]([C@H](C(=O)NC3CC3)c3ccc(F)cc3)CC2)c1 ZINC000104713610 885573364 /nfs/dbraw/zinc/57/33/64/885573364.db2.gz LYJBMCKZXPKDFS-QFIPXVFZSA-N 1 2 393.462 3.560 20 30 GHEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000807949511 885888707 /nfs/dbraw/zinc/88/87/07/885888707.db2.gz ZQTIEQPZHMDPJN-YJBOKZPZSA-N 1 2 392.503 3.770 20 30 GHEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000807949511 885888723 /nfs/dbraw/zinc/88/87/23/885888723.db2.gz ZQTIEQPZHMDPJN-YJBOKZPZSA-N 1 2 392.503 3.770 20 30 GHEDLO COc1cc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c(OC)cc1Cl ZINC000194962049 885995736 /nfs/dbraw/zinc/99/57/36/885995736.db2.gz IVYIMHQCAPERFG-UHFFFAOYSA-N 1 2 399.878 3.832 20 30 GHEDLO COc1cc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c(OC)cc1Cl ZINC000194962049 885995744 /nfs/dbraw/zinc/99/57/44/885995744.db2.gz IVYIMHQCAPERFG-UHFFFAOYSA-N 1 2 399.878 3.832 20 30 GHEDLO C=CCc1cc(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)cc(OC)c1OC ZINC000117637480 886087578 /nfs/dbraw/zinc/08/75/78/886087578.db2.gz ALTYLOJEJPCBLJ-UHFFFAOYSA-N 1 2 377.444 3.548 20 30 GHEDLO N#Cc1c(NC(=O)CC[N@@H+]2CCOC[C@@H]2c2ccccc2)sc2c1CCCC2 ZINC000532590185 886204105 /nfs/dbraw/zinc/20/41/05/886204105.db2.gz WEASBQJINQSRBY-LJQANCHMSA-N 1 2 395.528 3.901 20 30 GHEDLO N#Cc1c(NC(=O)CC[N@H+]2CCOC[C@@H]2c2ccccc2)sc2c1CCCC2 ZINC000532590185 886204120 /nfs/dbraw/zinc/20/41/20/886204120.db2.gz WEASBQJINQSRBY-LJQANCHMSA-N 1 2 395.528 3.901 20 30 GHEDLO CCCC#CC(=O)Nc1c2c(sc1C(=O)OC)C[N@@H+](Cc1ccccc1)CC2 ZINC001184267213 913109325 /nfs/dbraw/zinc/10/93/25/913109325.db2.gz BGCOQLAPSOGRDR-UHFFFAOYSA-N 1 2 396.512 3.835 20 30 GHEDLO CCCC#CC(=O)Nc1c2c(sc1C(=O)OC)C[N@H+](Cc1ccccc1)CC2 ZINC001184267213 913109331 /nfs/dbraw/zinc/10/93/31/913109331.db2.gz BGCOQLAPSOGRDR-UHFFFAOYSA-N 1 2 396.512 3.835 20 30 GHEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC000794534315 887185181 /nfs/dbraw/zinc/18/51/81/887185181.db2.gz YKSMUHXPHAXJNE-GOSISDBHSA-N 1 2 381.451 3.836 20 30 GHEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC000794534315 887185188 /nfs/dbraw/zinc/18/51/88/887185188.db2.gz YKSMUHXPHAXJNE-GOSISDBHSA-N 1 2 381.451 3.836 20 30 GHEDLO CC(C)(C)C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000488013253 887389352 /nfs/dbraw/zinc/38/93/52/887389352.db2.gz JYAZTLVNCBZTDE-KRWDZBQOSA-N 1 2 396.457 3.753 20 30 GHEDLO C#CC[C@@]1(C(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)CCCN1C(=O)OC(C)(C)C ZINC000809571102 887550492 /nfs/dbraw/zinc/55/04/92/887550492.db2.gz JZZVAILJQAUOKV-NRFANRHFSA-N 1 2 382.464 3.603 20 30 GHEDLO COC(=O)c1cccc(C[NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)c1C#N ZINC000794669681 887717811 /nfs/dbraw/zinc/71/78/11/887717811.db2.gz WCZDUBWLPNZTOI-PKTZIBPZSA-N 1 2 386.451 3.909 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCCC[C@@H]2COC(=O)NC2CC2)c1 ZINC000810039655 888121806 /nfs/dbraw/zinc/12/18/06/888121806.db2.gz GPJPDGNZWXYFPF-MRXNPFEDSA-N 1 2 392.297 3.564 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@H+]2CCCC[C@@H]2COC(=O)NC2CC2)c1 ZINC000810039655 888121809 /nfs/dbraw/zinc/12/18/09/888121809.db2.gz GPJPDGNZWXYFPF-MRXNPFEDSA-N 1 2 392.297 3.564 20 30 GHEDLO C=CCn1c(CCC2CCCCC2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000508886153 888440061 /nfs/dbraw/zinc/44/00/61/888440061.db2.gz XNMYRKCIJKFFRH-UHFFFAOYSA-N 1 2 380.540 3.699 20 30 GHEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@H](C3CC3)C2)nc1[C@@H]1COc2ccccc2O1 ZINC000763330852 888505203 /nfs/dbraw/zinc/50/52/03/888505203.db2.gz FDQNFDRJINSDLZ-LPHOPBHVSA-N 1 2 398.532 3.802 20 30 GHEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@H](C3CC3)C2)nc1[C@@H]1COc2ccccc2O1 ZINC000763330852 888505216 /nfs/dbraw/zinc/50/52/16/888505216.db2.gz FDQNFDRJINSDLZ-LPHOPBHVSA-N 1 2 398.532 3.802 20 30 GHEDLO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc32)C1 ZINC000810531546 888603943 /nfs/dbraw/zinc/60/39/43/888603943.db2.gz MZZJOSCPERNDTB-HTAPYJJXSA-N 1 2 381.451 3.700 20 30 GHEDLO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc32)C1 ZINC000810531546 888603949 /nfs/dbraw/zinc/60/39/49/888603949.db2.gz MZZJOSCPERNDTB-HTAPYJJXSA-N 1 2 381.451 3.700 20 30 GHEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000810994731 889084987 /nfs/dbraw/zinc/08/49/87/889084987.db2.gz QOEGJKLLJHVANO-UGKGYDQZSA-N 1 2 386.417 3.579 20 30 GHEDLO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000810994731 889085002 /nfs/dbraw/zinc/08/50/02/889085002.db2.gz QOEGJKLLJHVANO-UGKGYDQZSA-N 1 2 386.417 3.579 20 30 GHEDLO Cc1noc(C)c1C[NH+](Cc1c(C)noc1C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763409906 889234105 /nfs/dbraw/zinc/23/41/05/889234105.db2.gz HWWZRSLAZSBJJF-OAQYLSRUSA-N 1 2 380.448 3.504 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@@H]1C1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000811455588 889616888 /nfs/dbraw/zinc/61/68/88/889616888.db2.gz MMLAWEKMYAEURW-MRXNPFEDSA-N 1 2 376.526 3.626 20 30 GHEDLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)Nc2ccc(CC#N)cc2)c2ccc(Cl)cc2)C1 ZINC000245772611 889688349 /nfs/dbraw/zinc/68/83/49/889688349.db2.gz SMMNMYIRDJMPMR-PMACEKPBSA-N 1 2 398.894 3.599 20 30 GHEDLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)Nc2ccc(CC#N)cc2)c2ccc(Cl)cc2)C1 ZINC000245772611 889688358 /nfs/dbraw/zinc/68/83/58/889688358.db2.gz SMMNMYIRDJMPMR-PMACEKPBSA-N 1 2 398.894 3.599 20 30 GHEDLO CCc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2CCS(=O)(=O)c2cccc(C#N)c2)o1 ZINC000533148859 889889924 /nfs/dbraw/zinc/88/99/24/889889924.db2.gz MTKSLSFHCJINDU-OXJNMPFZSA-N 1 2 386.517 3.961 20 30 GHEDLO CCc1ccc([C@H]2C[C@@H](C)CC[N@H+]2CCS(=O)(=O)c2cccc(C#N)c2)o1 ZINC000533148859 889889929 /nfs/dbraw/zinc/88/99/29/889889929.db2.gz MTKSLSFHCJINDU-OXJNMPFZSA-N 1 2 386.517 3.961 20 30 GHEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)Cc1cc(OC)c(OC)cc1SC ZINC000533431192 890547521 /nfs/dbraw/zinc/54/75/21/890547521.db2.gz OYXASAXIEPMSQW-HNNXBMFYSA-N 1 2 380.554 3.671 20 30 GHEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)Cc1cc(OC)c(OC)cc1SC ZINC000533431192 890547529 /nfs/dbraw/zinc/54/75/29/890547529.db2.gz OYXASAXIEPMSQW-HNNXBMFYSA-N 1 2 380.554 3.671 20 30 GHEDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000533483625 890695010 /nfs/dbraw/zinc/69/50/10/890695010.db2.gz XVSNJUQXNSDCHU-AWEZNQCLSA-N 1 2 391.899 3.594 20 30 GHEDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000533483625 890695015 /nfs/dbraw/zinc/69/50/15/890695015.db2.gz XVSNJUQXNSDCHU-AWEZNQCLSA-N 1 2 391.899 3.594 20 30 GHEDLO CN(CC(C)(C)C#N)C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000497323339 890852872 /nfs/dbraw/zinc/85/28/72/890852872.db2.gz XUGVHAABCGTXOC-MRXNPFEDSA-N 1 2 378.314 3.594 20 30 GHEDLO C[C@H](c1nc(-c2cccs2)no1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000105901984 890930649 /nfs/dbraw/zinc/93/06/49/890930649.db2.gz XAOYLWOUBMKBFH-OAHLLOKOSA-N 1 2 379.489 3.549 20 30 GHEDLO Cc1cc(C)c(NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)c(C)[nH+]1 ZINC000455489713 891042910 /nfs/dbraw/zinc/04/29/10/891042910.db2.gz VZLZVUJLKVDHKV-KRWDZBQOSA-N 1 2 381.455 3.808 20 30 GHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1=S ZINC000747831337 891203127 /nfs/dbraw/zinc/20/31/27/891203127.db2.gz MAAZGNUCSRASBQ-PMACEKPBSA-N 1 2 398.576 3.897 20 30 GHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1=S ZINC000747831337 891203143 /nfs/dbraw/zinc/20/31/43/891203143.db2.gz MAAZGNUCSRASBQ-PMACEKPBSA-N 1 2 398.576 3.897 20 30 GHEDLO C=CCn1c(-c2ccccc2OC)nn(C[N@H+](C)CC2CCOCC2)c1=S ZINC000124748974 891899244 /nfs/dbraw/zinc/89/92/44/891899244.db2.gz ASNXFXHGZQIWPE-UHFFFAOYSA-N 1 2 388.537 3.592 20 30 GHEDLO C=CCn1c(-c2ccccc2OC)nn(C[N@@H+](C)CC2CCOCC2)c1=S ZINC000124748974 891899252 /nfs/dbraw/zinc/89/92/52/891899252.db2.gz ASNXFXHGZQIWPE-UHFFFAOYSA-N 1 2 388.537 3.592 20 30 GHEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000747958929 892947856 /nfs/dbraw/zinc/94/78/56/892947856.db2.gz HGHUNRHWRDBLFG-UHFFFAOYSA-N 1 2 396.434 3.873 20 30 GHEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000747958929 892947864 /nfs/dbraw/zinc/94/78/64/892947864.db2.gz HGHUNRHWRDBLFG-UHFFFAOYSA-N 1 2 396.434 3.873 20 30 GHEDLO COc1ccc(-c2noc(C[N@H+](Cc3ccc(C#N)cc3)C3CC3)n2)c(OC)c1 ZINC000194538522 893001129 /nfs/dbraw/zinc/00/11/29/893001129.db2.gz PECIPFBIBFHMQO-UHFFFAOYSA-N 1 2 390.443 3.790 20 30 GHEDLO COc1ccc(-c2noc(C[N@@H+](Cc3ccc(C#N)cc3)C3CC3)n2)c(OC)c1 ZINC000194538522 893001149 /nfs/dbraw/zinc/00/11/49/893001149.db2.gz PECIPFBIBFHMQO-UHFFFAOYSA-N 1 2 390.443 3.790 20 30 GHEDLO O=C1C=COC2(CC[NH+](Cc3nnc(-c4c(Cl)cccc4Cl)o3)CC2)C1 ZINC000933652298 893118316 /nfs/dbraw/zinc/11/83/16/893118316.db2.gz OJLAPCAAGCIPOG-UHFFFAOYSA-N 1 2 394.258 3.881 20 30 GHEDLO CC(C)(C)Oc1ccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1C#N ZINC000455761839 893225855 /nfs/dbraw/zinc/22/58/55/893225855.db2.gz ACASJARQWRAESR-QGZVFWFLSA-N 1 2 379.464 3.531 20 30 GHEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)C1=O ZINC000563233167 893506700 /nfs/dbraw/zinc/50/67/00/893506700.db2.gz OKMZYNYNPUAGSM-OALUTQOASA-N 1 2 393.512 3.579 20 30 GHEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)C1=O ZINC000563233167 893506716 /nfs/dbraw/zinc/50/67/16/893506716.db2.gz OKMZYNYNPUAGSM-OALUTQOASA-N 1 2 393.512 3.579 20 30 GHEDLO C=CCN(CCc1ccco1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000498282003 893918796 /nfs/dbraw/zinc/91/87/96/893918796.db2.gz PSJKJXBLDXGSQT-WOJBJXKFSA-N 1 2 389.446 3.743 20 30 GHEDLO C=CCN(CCc1ccco1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000498282003 893918809 /nfs/dbraw/zinc/91/88/09/893918809.db2.gz PSJKJXBLDXGSQT-WOJBJXKFSA-N 1 2 389.446 3.743 20 30 GHEDLO C=CCN(CCc1ccco1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000498282002 893919330 /nfs/dbraw/zinc/91/93/30/893919330.db2.gz PSJKJXBLDXGSQT-VQTJNVASSA-N 1 2 389.446 3.743 20 30 GHEDLO C=CCN(CCc1ccco1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000498282002 893919338 /nfs/dbraw/zinc/91/93/38/893919338.db2.gz PSJKJXBLDXGSQT-VQTJNVASSA-N 1 2 389.446 3.743 20 30 GHEDLO Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(C[NH+]4CCSCC4)cc3)[nH]c21 ZINC000563730003 894120456 /nfs/dbraw/zinc/12/04/56/894120456.db2.gz FCNKBWYFBBYWGS-SFHVURJKSA-N 1 2 390.512 3.910 20 30 GHEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000537121568 894343027 /nfs/dbraw/zinc/34/30/27/894343027.db2.gz AQGAXMCJLXSTSN-VQIMIIECSA-N 1 2 389.858 3.614 20 30 GHEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000537121568 894343036 /nfs/dbraw/zinc/34/30/36/894343036.db2.gz AQGAXMCJLXSTSN-VQIMIIECSA-N 1 2 389.858 3.614 20 30 GHEDLO N#CC1(c2ccccn2)CC[NH+](Cc2cn3ccc(Br)cc3n2)CC1 ZINC000566828171 896607225 /nfs/dbraw/zinc/60/72/25/896607225.db2.gz OGLPEFWUQARFNE-UHFFFAOYSA-N 1 2 396.292 3.549 20 30 GHEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC000568789684 898101706 /nfs/dbraw/zinc/10/17/06/898101706.db2.gz PROKPCAEWGQDLF-ZDUSSCGKSA-N 1 2 383.945 3.937 20 30 GHEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC000568789684 898101717 /nfs/dbraw/zinc/10/17/17/898101717.db2.gz PROKPCAEWGQDLF-ZDUSSCGKSA-N 1 2 383.945 3.937 20 30 GHEDLO C=CCOCc1ncn2c1C[N@H+](Cc1cc3ccccc3nc1OC)CCC2 ZINC001137202776 898876607 /nfs/dbraw/zinc/87/66/07/898876607.db2.gz YFUIWQBMQVNKAH-UHFFFAOYSA-N 1 2 378.476 3.548 20 30 GHEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1cc3ccccc3nc1OC)CCC2 ZINC001137202776 898876616 /nfs/dbraw/zinc/87/66/16/898876616.db2.gz YFUIWQBMQVNKAH-UHFFFAOYSA-N 1 2 378.476 3.548 20 30 GHEDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cc2ccccc2o1 ZINC000043876618 899009053 /nfs/dbraw/zinc/00/90/53/899009053.db2.gz ISMDVOZFNYTMGP-KRWDZBQOSA-N 1 2 388.471 3.893 20 30 GHEDLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C#N)cc1 ZINC000155832760 899123471 /nfs/dbraw/zinc/12/34/71/899123471.db2.gz KIVNUVOFKMDGLP-VGSWGCGISA-N 1 2 376.504 3.634 20 30 GHEDLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C#N)cc1 ZINC000155832760 899123476 /nfs/dbraw/zinc/12/34/76/899123476.db2.gz KIVNUVOFKMDGLP-VGSWGCGISA-N 1 2 376.504 3.634 20 30 GHEDLO Cc1oc(NC(=O)C[NH+]2CCC(c3noc4cc(F)ccc43)CC2)c(C#N)c1C ZINC000289727457 914316913 /nfs/dbraw/zinc/31/69/13/914316913.db2.gz IURSLQFOALDZSR-UHFFFAOYSA-N 1 2 396.422 3.867 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1CCN(c2[nH+]cccc2NC2=CC[C@H](C#N)CC2)C1 ZINC001212859530 900007867 /nfs/dbraw/zinc/00/78/67/900007867.db2.gz LFTVJDNRXLBAJW-DOTOQJQBSA-N 1 2 383.496 3.804 20 30 GHEDLO COc1ccc(-c2csc(NC(=O)C[NH+]3CCC(CCC#N)CC3)n2)cc1 ZINC000572517464 900212931 /nfs/dbraw/zinc/21/29/31/900212931.db2.gz TWMNTODLZSNJEX-UHFFFAOYSA-N 1 2 384.505 3.773 20 30 GHEDLO CCN(C(=O)C[N@H+](C)C[C@H](O)c1cccc(C#N)c1)c1cccc2ccccc21 ZINC000844367972 900779170 /nfs/dbraw/zinc/77/91/70/900779170.db2.gz PWFLFDSGEOHMQD-QHCPKHFHSA-N 1 2 387.483 3.730 20 30 GHEDLO CCN(C(=O)C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1)c1cccc2ccccc21 ZINC000844367972 900779177 /nfs/dbraw/zinc/77/91/77/900779177.db2.gz PWFLFDSGEOHMQD-QHCPKHFHSA-N 1 2 387.483 3.730 20 30 GHEDLO C=CC[C@@H](C)C(=O)N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@H+]2CC ZINC001144015498 900927410 /nfs/dbraw/zinc/92/74/10/900927410.db2.gz WWEIAXCRBKRJLE-LJQANCHMSA-N 1 2 392.547 3.916 20 30 GHEDLO C=CC[C@@H](C)C(=O)N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@@H+]2CC ZINC001144015498 900927415 /nfs/dbraw/zinc/92/74/15/900927415.db2.gz WWEIAXCRBKRJLE-LJQANCHMSA-N 1 2 392.547 3.916 20 30 GHEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H]3CC(=O)c3cccs3)o2)cc1 ZINC000121760722 901670629 /nfs/dbraw/zinc/67/06/29/901670629.db2.gz ZGRMPJQIWHAJNS-INIZCTEOSA-N 1 2 378.457 3.907 20 30 GHEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H]3CC(=O)c3cccs3)o2)cc1 ZINC000121760722 901670638 /nfs/dbraw/zinc/67/06/38/901670638.db2.gz ZGRMPJQIWHAJNS-INIZCTEOSA-N 1 2 378.457 3.907 20 30 GHEDLO C[C@H]1CCN(C(=O)c2occc2COc2cccc(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000123133800 901901914 /nfs/dbraw/zinc/90/19/14/901901914.db2.gz NYPXODZQGUWGFU-JXFKEZNVSA-N 1 2 390.443 3.650 20 30 GHEDLO CC[C@@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@H](C)[S@@]1=O ZINC000576504220 902064096 /nfs/dbraw/zinc/06/40/96/902064096.db2.gz SCTNRJHVIZFVQB-UWMNEONRSA-N 1 2 382.529 3.869 20 30 GHEDLO CC[C@@H]1C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@H](C)[S@@]1=O ZINC000576504220 902064108 /nfs/dbraw/zinc/06/41/08/902064108.db2.gz SCTNRJHVIZFVQB-UWMNEONRSA-N 1 2 382.529 3.869 20 30 GHEDLO CC[C@@H](CC#N)[NH2+][C@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O ZINC000576596154 902115410 /nfs/dbraw/zinc/11/54/10/902115410.db2.gz SHUKNUGUFMUSPS-HOTGVXAUSA-N 1 2 378.314 3.843 20 30 GHEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N(C)Cc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000047569801 902157957 /nfs/dbraw/zinc/15/79/57/902157957.db2.gz RCNYEQQMCRPGOD-ROUUACIJSA-N 1 2 392.503 3.831 20 30 GHEDLO C[C@H](C#N)CN(C)C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000264024937 902782741 /nfs/dbraw/zinc/78/27/41/902782741.db2.gz AILOOHWEXPGVDA-GOSISDBHSA-N 1 2 387.487 3.899 20 30 GHEDLO N#CC1(C[C@H](O)CNc2ccc3[nH]c(-c4ccccc4)[nH+]c3c2)CCOCC1 ZINC000600739317 902861733 /nfs/dbraw/zinc/86/17/33/902861733.db2.gz QYISBIKJANRJKY-SFHVURJKSA-N 1 2 376.460 3.713 20 30 GHEDLO C=CCOc1ccccc1[C@H](C)Nc1cc(N2CCC(C(=O)OC)CC2)nc[nH+]1 ZINC001171369188 904366745 /nfs/dbraw/zinc/36/67/45/904366745.db2.gz LWZXWOOGKAPIRL-INIZCTEOSA-N 1 2 396.491 3.604 20 30 GHEDLO C=CCOc1ccccc1[C@H](C)Nc1cc(N2CCC(C(=O)OC)CC2)[nH+]cn1 ZINC001171369188 904366758 /nfs/dbraw/zinc/36/67/58/904366758.db2.gz LWZXWOOGKAPIRL-INIZCTEOSA-N 1 2 396.491 3.604 20 30 GHEDLO CC(C)[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)Cc1cccc(F)c1 ZINC000299136524 921218532 /nfs/dbraw/zinc/21/85/32/921218532.db2.gz POZUNQXZXCKVGG-SFHVURJKSA-N 1 2 392.434 3.561 20 30 GHEDLO CC(C)[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)Cc1cccc(F)c1 ZINC000299136524 921218541 /nfs/dbraw/zinc/21/85/41/921218541.db2.gz POZUNQXZXCKVGG-SFHVURJKSA-N 1 2 392.434 3.561 20 30 GHEDLO COC(=O)[C@H](Cc1ccccc1Br)[NH2+]C1CCC(CC#N)CC1 ZINC001173329775 906375988 /nfs/dbraw/zinc/37/59/88/906375988.db2.gz BCXWMAZJLCGPQR-PGEKIEPBSA-N 1 2 379.298 3.595 20 30 GHEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCCSC[C@H]2c2ccccc2)c1 ZINC001175770436 907735968 /nfs/dbraw/zinc/73/59/68/907735968.db2.gz ZWLNJMMQMWFJNQ-FQEVSTJZSA-N 1 2 386.542 3.512 20 30 GHEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCCSC[C@H]2c2ccccc2)c1 ZINC001175770436 907735973 /nfs/dbraw/zinc/73/59/73/907735973.db2.gz ZWLNJMMQMWFJNQ-FQEVSTJZSA-N 1 2 386.542 3.512 20 30 GHEDLO N#Cc1ccc(-c2csc(NC(=O)[C@H]3CCCN(c4cccc[nH+]4)C3)n2)s1 ZINC001176958943 908327743 /nfs/dbraw/zinc/32/77/43/908327743.db2.gz XSBRHCHYIAYHML-ZDUSSCGKSA-N 1 2 395.513 3.993 20 30 GHEDLO Cc1cc(F)cc2c1ncc(C#N)c2N1CCC[N@H+](Cc2cscn2)CC1 ZINC000266424328 909147556 /nfs/dbraw/zinc/14/75/56/909147556.db2.gz SOROGUSFWKLGLY-UHFFFAOYSA-N 1 2 381.480 3.723 20 30 GHEDLO Cc1cc(F)cc2c1ncc(C#N)c2N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000266424328 909147563 /nfs/dbraw/zinc/14/75/63/909147563.db2.gz SOROGUSFWKLGLY-UHFFFAOYSA-N 1 2 381.480 3.723 20 30 GHEDLO C=CCN(Cc1ccccc1)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000637682273 909923385 /nfs/dbraw/zinc/92/33/85/909923385.db2.gz IIHUBCWEQFMVQZ-UHFFFAOYSA-N 1 2 382.533 3.533 20 30 GHEDLO Fc1cc(CN2CC[NH+](CC#Cc3ccccc3)CC2)ccc1Br ZINC001180081632 909934772 /nfs/dbraw/zinc/93/47/72/909934772.db2.gz MDOVNMTZRJHANW-UHFFFAOYSA-N 1 2 387.296 3.758 20 30 GHEDLO C#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H](C)Oc3ccc(C)cc3Cl)CC2)cc1 ZINC001180099004 909952299 /nfs/dbraw/zinc/95/22/99/909952299.db2.gz RILLHLLMCGNPMV-GOSISDBHSA-N 1 2 396.918 3.741 20 30 GHEDLO N#C[C@@H](Cc1ccc(F)cc1F)OC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000774310816 911640122 /nfs/dbraw/zinc/64/01/22/911640122.db2.gz LHVIXPQTELWOMT-CTNGQTDRSA-N 1 2 384.426 3.997 20 30 GHEDLO N#C[C@@H](Cc1ccc(F)cc1F)OC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000774310816 911640127 /nfs/dbraw/zinc/64/01/27/911640127.db2.gz LHVIXPQTELWOMT-CTNGQTDRSA-N 1 2 384.426 3.997 20 30 GHEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2cc(Br)ccc2OCC)C1=O ZINC001275603528 915255498 /nfs/dbraw/zinc/25/54/98/915255498.db2.gz HZQHOWNDLZUUCW-LJQANCHMSA-N 1 2 393.325 3.601 20 30 GHEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2cc(Br)ccc2OCC)C1=O ZINC001275603528 915255514 /nfs/dbraw/zinc/25/55/14/915255514.db2.gz HZQHOWNDLZUUCW-LJQANCHMSA-N 1 2 393.325 3.601 20 30 GHEDLO Cc1ccoc1C[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000292155009 915539450 /nfs/dbraw/zinc/53/94/50/915539450.db2.gz KJGAZGWPGIOANV-UHFFFAOYSA-N 1 2 380.448 3.590 20 30 GHEDLO Cc1ccoc1C[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000292155009 915539461 /nfs/dbraw/zinc/53/94/61/915539461.db2.gz KJGAZGWPGIOANV-UHFFFAOYSA-N 1 2 380.448 3.590 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1cccc(Cl)c1Cl)C2 ZINC001275653467 915666991 /nfs/dbraw/zinc/66/69/91/915666991.db2.gz NVPLWWRYDJXCIV-LJQANCHMSA-N 1 2 383.319 3.620 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cccc(Cl)c1Cl)C2 ZINC001275653467 915667000 /nfs/dbraw/zinc/66/70/00/915667000.db2.gz NVPLWWRYDJXCIV-LJQANCHMSA-N 1 2 383.319 3.620 20 30 GHEDLO C[C@H](O[NH+]=C(N)c1ccc(OCc2ccccc2)cc1)C(=O)N1CCCCCC1 ZINC000097571207 915702227 /nfs/dbraw/zinc/70/22/27/915702227.db2.gz YSWDKIIXFPFGEN-SFHVURJKSA-N 1 2 395.503 3.694 20 30 GHEDLO C#C[C@H]([NH2+]Cc1csc(-c2cccc(Br)c2)n1)[C@@H]1CCCO1 ZINC000775341110 917076238 /nfs/dbraw/zinc/07/62/38/917076238.db2.gz JYJGOUQGNVDDEH-HOTGVXAUSA-N 1 2 377.307 3.843 20 30 GHEDLO COc1cc(C#N)cc(Cl)c1OC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000796534130 918083390 /nfs/dbraw/zinc/08/33/90/918083390.db2.gz CHEISTXNQDSTMJ-UHFFFAOYSA-N 1 2 391.761 3.762 20 30 GHEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(C(=O)c2cccs2)CC1 ZINC000363642945 918582102 /nfs/dbraw/zinc/58/21/02/918582102.db2.gz HRGOUXQZYQHNOS-QGZVFWFLSA-N 1 2 395.528 3.978 20 30 GHEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1sc(NC(C)(C)C)nc1Cl ZINC001275868178 918966707 /nfs/dbraw/zinc/96/67/07/918966707.db2.gz OZYKJCGNTIMXGE-IBGZPJMESA-N 1 2 394.972 3.597 20 30 GHEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1sc(NC(C)(C)C)nc1Cl ZINC001275868178 918966712 /nfs/dbraw/zinc/96/67/12/918966712.db2.gz OZYKJCGNTIMXGE-IBGZPJMESA-N 1 2 394.972 3.597 20 30 GHEDLO N#Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cn1 ZINC000115377066 919449676 /nfs/dbraw/zinc/44/96/76/919449676.db2.gz VFKOGGGNOSMBHC-UHFFFAOYSA-N 1 2 389.286 3.654 20 30 GHEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c(F)cccc1Br ZINC001275946734 920039670 /nfs/dbraw/zinc/03/96/70/920039670.db2.gz WKJXQUPMZZYTDS-GOSISDBHSA-N 1 2 381.289 3.731 20 30 GHEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c(F)cccc1Br ZINC001275946734 920039691 /nfs/dbraw/zinc/03/96/91/920039691.db2.gz WKJXQUPMZZYTDS-GOSISDBHSA-N 1 2 381.289 3.731 20 30 GHEDLO C[C@@H](c1nnc(SCc2cc(C#N)ccn2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000901364446 921039468 /nfs/dbraw/zinc/03/94/68/921039468.db2.gz KBXIKOOSFRQSHB-ZDUSSCGKSA-N 1 2 382.468 3.588 20 30 GHEDLO C[C@@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902917133 922600610 /nfs/dbraw/zinc/60/06/10/922600610.db2.gz LZVQWNRFNIBOFK-QGZVFWFLSA-N 1 2 387.487 3.878 20 30 GHEDLO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000369206964 923203450 /nfs/dbraw/zinc/20/34/50/923203450.db2.gz OOGLSPIRILSYDM-MRXNPFEDSA-N 1 2 382.895 3.928 20 30 GHEDLO CC[N@@H+]1CC[C@@H](NC(=O)N2CCC(C)(C#N)CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000370336195 924043226 /nfs/dbraw/zinc/04/32/26/924043226.db2.gz XXXJPQMEPKICFY-AEFFLSMTSA-N 1 2 394.441 3.574 20 30 GHEDLO CC[N@H+]1CC[C@@H](NC(=O)N2CCC(C)(C#N)CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000370336195 924043233 /nfs/dbraw/zinc/04/32/33/924043233.db2.gz XXXJPQMEPKICFY-AEFFLSMTSA-N 1 2 394.441 3.574 20 30 GHEDLO CCN(C(=O)c1cc(C#N)oc1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000370468535 924109363 /nfs/dbraw/zinc/10/93/63/924109363.db2.gz LUMBXIRXNJXVIY-UHFFFAOYSA-N 1 2 395.507 3.813 20 30 GHEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(C(F)(F)F)ccc1Cl ZINC001276081854 925349817 /nfs/dbraw/zinc/34/98/17/925349817.db2.gz YMQHCFZGBXPGMR-SFHVURJKSA-N 1 2 384.829 3.949 20 30 GHEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(C(F)(F)F)ccc1Cl ZINC001276081854 925349828 /nfs/dbraw/zinc/34/98/28/925349828.db2.gz YMQHCFZGBXPGMR-SFHVURJKSA-N 1 2 384.829 3.949 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@H+](Cc3ncc(Br)s3)CC2)C1=O ZINC001276204942 927357068 /nfs/dbraw/zinc/35/70/68/927357068.db2.gz QDJUOYJOHZELCG-QGZVFWFLSA-N 1 2 398.370 3.686 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+](Cc3ncc(Br)s3)CC2)C1=O ZINC001276204942 927357078 /nfs/dbraw/zinc/35/70/78/927357078.db2.gz QDJUOYJOHZELCG-QGZVFWFLSA-N 1 2 398.370 3.686 20 30 GHEDLO NC(=[NH+]OCc1nccn1C(F)F)c1ccc(COc2ccccc2F)cc1 ZINC000751260494 928098215 /nfs/dbraw/zinc/09/82/15/928098215.db2.gz QNYRHMNVAQKHFP-UHFFFAOYSA-N 1 2 390.365 3.833 20 30 GHEDLO C=CCn1c([C@@H]2COc3ccccc3O2)nn(C[N@H+]2CC[C@H](C)[C@H]2C)c1=S ZINC000751939052 928495514 /nfs/dbraw/zinc/49/55/14/928495514.db2.gz CQTCLJFBCIXGMT-DAYGRLMNSA-N 1 2 386.521 3.800 20 30 GHEDLO C=CCn1c([C@@H]2COc3ccccc3O2)nn(C[N@@H+]2CC[C@H](C)[C@H]2C)c1=S ZINC000751939052 928495526 /nfs/dbraw/zinc/49/55/26/928495526.db2.gz CQTCLJFBCIXGMT-DAYGRLMNSA-N 1 2 386.521 3.800 20 30 GHEDLO CCc1ccc([C@H](COC)[NH2+]CC(=O)N(CCC#N)c2cc(C)cc(C)c2)o1 ZINC000544449346 929196352 /nfs/dbraw/zinc/19/63/52/929196352.db2.gz MTBDTQDZHDFMEL-FQEVSTJZSA-N 1 2 383.492 3.683 20 30 GHEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000469756390 930139380 /nfs/dbraw/zinc/13/93/80/930139380.db2.gz LZQFFGZFXWIYED-GRGSLBFTSA-N 1 2 380.891 3.712 20 30 GHEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000469756390 930139384 /nfs/dbraw/zinc/13/93/84/930139384.db2.gz LZQFFGZFXWIYED-GRGSLBFTSA-N 1 2 380.891 3.712 20 30 GHEDLO C[C@@H](Oc1ccccc1C#N)c1nc(-c2ccccc2C[NH+]2CCOCC2)no1 ZINC000547009337 930609645 /nfs/dbraw/zinc/60/96/45/930609645.db2.gz OSJDKPWZFGWRGW-MRXNPFEDSA-N 1 2 390.443 3.580 20 30 GHEDLO Cc1nc2cc(NC(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)ccc2s1 ZINC000781497688 930870340 /nfs/dbraw/zinc/87/03/40/930870340.db2.gz MSIMBZPVIOORAK-UHFFFAOYSA-N 1 2 391.500 3.826 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccccc1)Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[nH]1 ZINC000470926464 931039307 /nfs/dbraw/zinc/03/93/07/931039307.db2.gz QNQWERCHQBYTGE-UHFFFAOYSA-N 1 2 397.500 3.658 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccccc1)Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[nH]1 ZINC000470926464 931039313 /nfs/dbraw/zinc/03/93/13/931039313.db2.gz QNQWERCHQBYTGE-UHFFFAOYSA-N 1 2 397.500 3.658 20 30 GHEDLO COC(=O)c1ccc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)cc1 ZINC000470999388 931085354 /nfs/dbraw/zinc/08/53/54/931085354.db2.gz AUJGGYRDRKIXIF-FQEVSTJZSA-N 1 2 383.879 3.509 20 30 GHEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C2(c3cccc(C#N)c3)CC2)CC1 ZINC000557584722 931559387 /nfs/dbraw/zinc/55/93/87/931559387.db2.gz HUZSCVQGDXVGFB-KRWDZBQOSA-N 1 2 377.463 3.634 20 30 GHEDLO CC[C@H]([NH2+]CC1CCN(C(=O)c2ccccc2)CC1)c1cccc(C#N)c1O ZINC000925109050 931650096 /nfs/dbraw/zinc/65/00/96/931650096.db2.gz VFYOVGWGUADAOI-NRFANRHFSA-N 1 2 377.488 3.857 20 30 GHEDLO CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccc(C[N@H+](CC)C3CC3)cc2)n1 ZINC000558859283 932278171 /nfs/dbraw/zinc/27/81/71/932278171.db2.gz YAHMKLRMLXKYHK-KRWDZBQOSA-N 1 2 397.500 3.794 20 30 GHEDLO CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccc(C[N@@H+](CC)C3CC3)cc2)n1 ZINC000558859283 932278176 /nfs/dbraw/zinc/27/81/76/932278176.db2.gz YAHMKLRMLXKYHK-KRWDZBQOSA-N 1 2 397.500 3.794 20 30 GHEDLO N#Cc1cc(Cl)c(C(=O)N2CCC(Nc3cccc[nH+]3)CC2)c(Cl)c1 ZINC000927088696 932405454 /nfs/dbraw/zinc/40/54/54/932405454.db2.gz SGJNEXXHSZBKKL-UHFFFAOYSA-N 1 2 375.259 3.977 20 30 GHEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H]([NH2+]Cc2cc(Cl)cc3cccnc32)C1 ZINC000798274810 932587281 /nfs/dbraw/zinc/58/72/81/932587281.db2.gz KUVQITHTHANJTO-NVXWUHKLSA-N 1 2 386.883 3.737 20 30 GHEDLO O=S(=O)(c1ccc(N[NH+]=Cc2ccc(N3CCCC3)cc2)cc1)C(F)F ZINC001115949339 933255115 /nfs/dbraw/zinc/25/51/15/933255115.db2.gz KQFYPRVIDYOZOS-UHFFFAOYSA-N 1 2 379.432 3.729 20 30 GHEDLO C[C@H](c1cccc(NC(=O)N(C)Cc2cc(C#N)cs2)c1)[NH+]1CCOCC1 ZINC000930229678 933908595 /nfs/dbraw/zinc/90/85/95/933908595.db2.gz SBMICAMLOQZLMN-OAHLLOKOSA-N 1 2 384.505 3.677 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N(C)[C@H]1CCC[C@H]1C#N ZINC001121582199 934705770 /nfs/dbraw/zinc/70/57/70/934705770.db2.gz SFCCTXUGAXFVFG-IHPCNDPISA-N 1 2 378.524 3.786 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N(C)[C@H]1CCC[C@H]1C#N ZINC001121582199 934705772 /nfs/dbraw/zinc/70/57/72/934705772.db2.gz SFCCTXUGAXFVFG-IHPCNDPISA-N 1 2 378.524 3.786 20 30 GHEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N(Cc1cccs1)C1CC1 ZINC001121593990 934710020 /nfs/dbraw/zinc/71/00/20/934710020.db2.gz KORXXWLYZAVSRU-MJGOQNOKSA-N 1 2 399.564 3.620 20 30 GHEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N(Cc1cccs1)C1CC1 ZINC001121593990 934710022 /nfs/dbraw/zinc/71/00/22/934710022.db2.gz KORXXWLYZAVSRU-MJGOQNOKSA-N 1 2 399.564 3.620 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@@H]1c1ccccc1Cl ZINC001121620680 934717372 /nfs/dbraw/zinc/71/73/72/934717372.db2.gz RDJXUSKKONJJCU-QGZVFWFLSA-N 1 2 382.899 3.783 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1C[C@@H](c2ccccc2)C[C@@H]1C ZINC001121800583 934768009 /nfs/dbraw/zinc/76/80/09/934768009.db2.gz ISYNDSOQRQKHIJ-RXVVDRJESA-N 1 2 392.551 3.773 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(Cc2noc(C)n2)CC1 ZINC000932247533 934858976 /nfs/dbraw/zinc/85/89/76/934858976.db2.gz PLXZZXHBVFKWLE-UHFFFAOYSA-N 1 2 386.521 3.549 20 30 GHEDLO C=C(C)Cn1c(C[C@H](C)SC)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001122596487 934912852 /nfs/dbraw/zinc/91/28/52/934912852.db2.gz UQPGXGCYFXNBTI-INIZCTEOSA-N 1 2 386.569 3.624 20 30 GHEDLO C=CCN(c1nnc([C@H](C)[N@H+](C)Cc2ccccc2)n1C[C@H]1CCOC1)C1CC1 ZINC001123227240 935123332 /nfs/dbraw/zinc/12/33/32/935123332.db2.gz QJDONSXCHFFUFU-AZUAARDMSA-N 1 2 395.551 3.662 20 30 GHEDLO C=CCN(c1nnc([C@H](C)[N@@H+](C)Cc2ccccc2)n1C[C@H]1CCOC1)C1CC1 ZINC001123227240 935123336 /nfs/dbraw/zinc/12/33/36/935123336.db2.gz QJDONSXCHFFUFU-AZUAARDMSA-N 1 2 395.551 3.662 20 30 GHEDLO Cc1ccc(S(=O)(=O)n2cc(C[NH+]3CC(CC#N)C3)c3ccccc32)cc1 ZINC001137587064 935604287 /nfs/dbraw/zinc/60/42/87/935604287.db2.gz OMPQWJMSPQVZCM-UHFFFAOYSA-N 1 2 379.485 3.532 20 30 GHEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3ccc(Oc4ccc(C#N)cn4)cc3)n2)C1 ZINC000545118278 1015552466 /nfs/dbraw/zinc/55/24/66/1015552466.db2.gz FBNPFRFIYYDVAF-SFHVURJKSA-N 1 2 391.431 3.577 20 30 GHEDLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3ccc(Oc4ccc(C#N)cn4)cc3)n2)C1 ZINC000545118278 1015552475 /nfs/dbraw/zinc/55/24/75/1015552475.db2.gz FBNPFRFIYYDVAF-SFHVURJKSA-N 1 2 391.431 3.577 20 30 GHEDLO N#Cc1ccc(OC2CCN(C(=O)c3cccc4[nH+]ccn43)CC2)cc1Cl ZINC001154522562 1032160306 /nfs/dbraw/zinc/16/03/06/1032160306.db2.gz ZXBPDSMPHUMUMR-UHFFFAOYSA-N 1 2 380.835 3.543 20 30 GHEDLO N#Cc1ccc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(C(F)(F)F)c1 ZINC001227162339 1032301044 /nfs/dbraw/zinc/30/10/44/1032301044.db2.gz LQPLEAVYDFCDNY-KRWDZBQOSA-N 1 2 376.378 3.857 20 30 GHEDLO N#Cc1ccc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(C(F)(F)F)c1 ZINC001227162339 1032301051 /nfs/dbraw/zinc/30/10/51/1032301051.db2.gz LQPLEAVYDFCDNY-KRWDZBQOSA-N 1 2 376.378 3.857 20 30 GHEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2cc(Br)cc(C)c2OC)C1=O ZINC001277206809 1032411386 /nfs/dbraw/zinc/41/13/86/1032411386.db2.gz YGYPSQLYZUGKEW-IBGZPJMESA-N 1 2 393.325 3.519 20 30 GHEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(Br)cc(C)c2OC)C1=O ZINC001277206809 1032411394 /nfs/dbraw/zinc/41/13/94/1032411394.db2.gz YGYPSQLYZUGKEW-IBGZPJMESA-N 1 2 393.325 3.519 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(OCC)ncc1Cl ZINC001277212488 1032433992 /nfs/dbraw/zinc/43/39/92/1032433992.db2.gz JKAWRGQPXLBVSC-FQEVSTJZSA-N 1 2 377.916 3.667 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(OCC)ncc1Cl ZINC001277212488 1032433996 /nfs/dbraw/zinc/43/39/96/1032433996.db2.gz JKAWRGQPXLBVSC-FQEVSTJZSA-N 1 2 377.916 3.667 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)cc1OC ZINC000628254630 1020683301 /nfs/dbraw/zinc/68/33/01/1020683301.db2.gz JEUQRECVMHTSTO-AUSJPIAWSA-N 1 2 381.900 3.682 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)cc1OC ZINC000628254630 1020683304 /nfs/dbraw/zinc/68/33/04/1020683304.db2.gz JEUQRECVMHTSTO-AUSJPIAWSA-N 1 2 381.900 3.682 20 30 GHEDLO N#C[C@H]1C[NH2+]CCN1C(F)(F)c1cnc(Cl)c(-c2ccc(Cl)cc2)c1 ZINC001156333213 1032989891 /nfs/dbraw/zinc/98/98/91/1032989891.db2.gz XHZJPKFFPSIBKU-AWEZNQCLSA-N 1 2 383.229 3.902 20 30 GHEDLO N#Cc1ccc(Cl)c(C[N@H+]2CCC[C@@H](N3Cc4c(cccc4F)C3=O)C2)c1 ZINC001140603313 1022049878 /nfs/dbraw/zinc/04/98/78/1022049878.db2.gz JMEPGYPVZWLRMU-MRXNPFEDSA-N 1 2 383.854 3.971 20 30 GHEDLO N#Cc1ccc(Cl)c(C[N@@H+]2CCC[C@@H](N3Cc4c(cccc4F)C3=O)C2)c1 ZINC001140603313 1022049895 /nfs/dbraw/zinc/04/98/95/1022049895.db2.gz JMEPGYPVZWLRMU-MRXNPFEDSA-N 1 2 383.854 3.971 20 30 GHEDLO N#Cc1c(F)cc(C[N@@H+]2CCC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)cc1F ZINC001140755561 1022445348 /nfs/dbraw/zinc/44/53/48/1022445348.db2.gz KQQRBKHKIIZFJT-LBPRGKRZSA-N 1 2 398.335 3.689 20 30 GHEDLO N#Cc1c(F)cc(C[N@H+]2CCC[C@H](Oc3cc(C(F)(F)F)ncn3)C2)cc1F ZINC001140755561 1022445354 /nfs/dbraw/zinc/44/53/54/1022445354.db2.gz KQQRBKHKIIZFJT-LBPRGKRZSA-N 1 2 398.335 3.689 20 30 GHEDLO CC[C@@H]([NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)c1nc(C)cs1 ZINC000754321879 1022619794 /nfs/dbraw/zinc/61/97/94/1022619794.db2.gz DCWMHZUALMHKMS-HUUCEWRRSA-N 1 2 377.473 3.730 20 30 GHEDLO Cc1nc(C#N)cnc1NCC1([NH+](Cc2ccccc2)Cc2ccccc2)COC1 ZINC001156585811 1033116441 /nfs/dbraw/zinc/11/64/41/1033116441.db2.gz AUTUVUJEFMBNLP-UHFFFAOYSA-N 1 2 399.498 3.540 20 30 GHEDLO Cc1cnc(NCC2([NH+](Cc3ccccc3)Cc3ccccc3)COC2)c(C#N)n1 ZINC001156586119 1033116812 /nfs/dbraw/zinc/11/68/12/1033116812.db2.gz KNQREFOMNVELJN-UHFFFAOYSA-N 1 2 399.498 3.540 20 30 GHEDLO C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@@H+]1Cc1sc(N)c(C#N)c1Cl ZINC001141107078 1023515459 /nfs/dbraw/zinc/51/54/59/1023515459.db2.gz OVJHUXRPSRQNMQ-NSHDSACASA-N 1 2 384.933 3.687 20 30 GHEDLO C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@H+]1Cc1sc(N)c(C#N)c1Cl ZINC001141107078 1023515463 /nfs/dbraw/zinc/51/54/63/1023515463.db2.gz OVJHUXRPSRQNMQ-NSHDSACASA-N 1 2 384.933 3.687 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCN1Cc1sc(N)c(C#N)c1Cl ZINC001141108754 1023521506 /nfs/dbraw/zinc/52/15/06/1023521506.db2.gz GHQIVYVARDQEMA-GFCCVEGCSA-N 1 2 378.904 3.701 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCN1Cc1sc(N)c(C#N)c1Cl ZINC001141108754 1023521511 /nfs/dbraw/zinc/52/15/11/1023521511.db2.gz GHQIVYVARDQEMA-GFCCVEGCSA-N 1 2 378.904 3.701 20 30 GHEDLO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ncc(Cl)nc1Cl)CC2 ZINC001141133131 1023556770 /nfs/dbraw/zinc/55/67/70/1023556770.db2.gz JRCGEIMGZONPDD-UHFFFAOYSA-N 1 2 399.322 3.784 20 30 GHEDLO Cc1nn(-c2ccccc2F)cc1C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC001204881958 1033144104 /nfs/dbraw/zinc/14/41/04/1033144104.db2.gz XQXQRNWTYZIVNX-UHFFFAOYSA-N 1 2 393.441 3.653 20 30 GHEDLO N#Cc1ccsc1NC(=O)C[N@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000756903819 1023855124 /nfs/dbraw/zinc/85/51/24/1023855124.db2.gz NYPWNCPJMQPCBP-SFHVURJKSA-N 1 2 397.525 3.856 20 30 GHEDLO N#Cc1ccsc1NC(=O)C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000756903819 1023855131 /nfs/dbraw/zinc/85/51/31/1023855131.db2.gz NYPWNCPJMQPCBP-SFHVURJKSA-N 1 2 397.525 3.856 20 30 GHEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H]2OCCC[C@]2(COc2ncccc2F)C1 ZINC001141164931 1023992816 /nfs/dbraw/zinc/99/28/16/1023992816.db2.gz NJORPSVUKBHMDW-RBBKRZOGSA-N 1 2 399.441 3.682 20 30 GHEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H]2OCCC[C@]2(COc2ncccc2F)C1 ZINC001141164931 1023992821 /nfs/dbraw/zinc/99/28/21/1023992821.db2.gz NJORPSVUKBHMDW-RBBKRZOGSA-N 1 2 399.441 3.682 20 30 GHEDLO N#CCCN(C(=O)C[NH+]1CCC(Oc2ccc(Cl)cn2)CC1)c1ccccc1 ZINC000839201250 1025719779 /nfs/dbraw/zinc/71/97/79/1025719779.db2.gz QIBIKGUIFOKNMI-UHFFFAOYSA-N 1 2 398.894 3.525 20 30 GHEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2cc3cc(Br)ccc3[nH]2)CC1 ZINC001139185301 1026020615 /nfs/dbraw/zinc/02/06/15/1026020615.db2.gz RNUJPDHTOQWQDM-UHFFFAOYSA-N 1 2 390.281 3.599 20 30 GHEDLO N#Cc1nccnc1N1CC[NH+](Cc2ccccc2Oc2ccc(F)cc2)CC1 ZINC001139298353 1026152595 /nfs/dbraw/zinc/15/25/95/1026152595.db2.gz HAJPCKMSQHTVTR-UHFFFAOYSA-N 1 2 389.434 3.602 20 30 GHEDLO CN(C(=O)OC(C)(C)C)C1C[NH+](Cc2ccc(-c3cc(C#N)ccn3)cc2)C1 ZINC001139400050 1026270665 /nfs/dbraw/zinc/27/06/65/1026270665.db2.gz DKNYYZANHXQHNE-UHFFFAOYSA-N 1 2 378.476 3.671 20 30 GHEDLO CC(C)(C)OC(=O)NCC1C[NH+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC001139427200 1026297511 /nfs/dbraw/zinc/29/75/11/1026297511.db2.gz XQNVCRMKNIVUPQ-UHFFFAOYSA-N 1 2 394.475 3.702 20 30 GHEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(NCCOc2ccccc2F)[nH+]1 ZINC001163954304 1026370828 /nfs/dbraw/zinc/37/08/28/1026370828.db2.gz LCSGZCOFDOPSLR-WAPOMMKJSA-N 1 2 377.485 3.901 20 30 GHEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(NCCOc2ccccc2F)[nH+]1 ZINC001163954303 1026370880 /nfs/dbraw/zinc/37/08/80/1026370880.db2.gz LCSGZCOFDOPSLR-IHPIMTRISA-N 1 2 377.485 3.901 20 30 GHEDLO N#CC1(c2ccc(Br)cc2)CC[NH+](Cc2cn3ccncc3n2)CC1 ZINC001139696170 1026544302 /nfs/dbraw/zinc/54/43/02/1026544302.db2.gz FAHDCRDRIHUFKV-UHFFFAOYSA-N 1 2 396.292 3.549 20 30 GHEDLO N#Cc1nc(N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)c(Cl)cc1Cl ZINC001165694444 1026800820 /nfs/dbraw/zinc/80/08/20/1026800820.db2.gz XFVNAONAQCJRSI-CYBMUJFWSA-N 1 2 392.290 3.520 20 30 GHEDLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NCC(F)(F)c1ccc(F)cc1F ZINC000834292250 1026908656 /nfs/dbraw/zinc/90/86/56/1026908656.db2.gz UOPZLLGECFSXMR-LBPRGKRZSA-N 1 2 383.267 3.563 20 30 GHEDLO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2cc(Br)ccc2C#N)C1 ZINC001141902798 1027627292 /nfs/dbraw/zinc/62/72/92/1027627292.db2.gz DYJYVCOPDJCMPY-ZDUSSCGKSA-N 1 2 394.313 3.667 20 30 GHEDLO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2C#N)C1 ZINC001141902798 1027627300 /nfs/dbraw/zinc/62/73/00/1027627300.db2.gz DYJYVCOPDJCMPY-ZDUSSCGKSA-N 1 2 394.313 3.667 20 30 GHEDLO N#Cc1ccc(Cl)cc1Nc1ccc(OCC[NH+]2CCOCC2)cc1F ZINC001213484848 1028217239 /nfs/dbraw/zinc/21/72/39/1028217239.db2.gz FMCGUMGUAXYEMZ-UHFFFAOYSA-N 1 2 375.831 3.805 20 30 GHEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+]2CC3(C[C@H]2C)CCOCC3)c1=S ZINC000842637012 1029441498 /nfs/dbraw/zinc/44/14/98/1029441498.db2.gz IFNCHDGGEAAURT-MRXNPFEDSA-N 1 2 385.537 3.511 20 30 GHEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+]2CC3(C[C@H]2C)CCOCC3)c1=S ZINC000842637012 1029441507 /nfs/dbraw/zinc/44/15/07/1029441507.db2.gz IFNCHDGGEAAURT-MRXNPFEDSA-N 1 2 385.537 3.511 20 30 GHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+]2CC3(C[C@H]2C)CCOCC3)c1=S ZINC000842641220 1029447516 /nfs/dbraw/zinc/44/75/16/1029447516.db2.gz ZCALEJGGYBGNBG-QGZVFWFLSA-N 1 2 399.564 3.901 20 30 GHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+]2CC3(C[C@H]2C)CCOCC3)c1=S ZINC000842641220 1029447527 /nfs/dbraw/zinc/44/75/27/1029447527.db2.gz ZCALEJGGYBGNBG-QGZVFWFLSA-N 1 2 399.564 3.901 20 30 GHEDLO CC(C)(C)OC(=O)n1cc(C[N@@H+]2CCC[C@H](Oc3ccccc3C#N)C2)cn1 ZINC001142801576 1029488041 /nfs/dbraw/zinc/48/80/41/1029488041.db2.gz MFTWBZCXIADRNH-SFHVURJKSA-N 1 2 382.464 3.581 20 30 GHEDLO CC(C)(C)OC(=O)n1cc(C[N@H+]2CCC[C@H](Oc3ccccc3C#N)C2)cn1 ZINC001142801576 1029488051 /nfs/dbraw/zinc/48/80/51/1029488051.db2.gz MFTWBZCXIADRNH-SFHVURJKSA-N 1 2 382.464 3.581 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@@]12CC[N@H+](Cc1c(F)ccc(C#N)c1F)C2 ZINC001143164169 1029876602 /nfs/dbraw/zinc/87/66/02/1029876602.db2.gz BCEITDRNQSWGKS-FQEVSTJZSA-N 1 2 377.435 3.812 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@@]12CC[N@@H+](Cc1c(F)ccc(C#N)c1F)C2 ZINC001143164169 1029876608 /nfs/dbraw/zinc/87/66/08/1029876608.db2.gz BCEITDRNQSWGKS-FQEVSTJZSA-N 1 2 377.435 3.812 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[N@H+](Cc1c(F)ccc(C#N)c1F)C2 ZINC001143167775 1029878821 /nfs/dbraw/zinc/87/88/21/1029878821.db2.gz YYBDEJRSONTKBM-JLTOFOAXSA-N 1 2 377.435 3.716 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[N@@H+](Cc1c(F)ccc(C#N)c1F)C2 ZINC001143167775 1029878827 /nfs/dbraw/zinc/87/88/27/1029878827.db2.gz YYBDEJRSONTKBM-JLTOFOAXSA-N 1 2 377.435 3.716 20 30 GHEDLO COc1ccnc(O[C@H]2CC[N@H+](Cc3ccc(Cl)c(Cl)c3)C2)c1C#N ZINC001225566978 1031483616 /nfs/dbraw/zinc/48/36/16/1031483616.db2.gz LVQARIMZHWIMTA-ZDUSSCGKSA-N 1 2 378.259 3.922 20 30 GHEDLO COc1ccnc(O[C@H]2CC[N@@H+](Cc3ccc(Cl)c(Cl)c3)C2)c1C#N ZINC001225566978 1031483624 /nfs/dbraw/zinc/48/36/24/1031483624.db2.gz LVQARIMZHWIMTA-ZDUSSCGKSA-N 1 2 378.259 3.922 20 30 GHEDLO CCc1ccc(C[NH+]2CCN(C(=O)[C@H](C#N)CCc3ccccc3)CC2)cc1 ZINC001153437644 1031590234 /nfs/dbraw/zinc/59/02/34/1031590234.db2.gz OHCHHQFRBHCQGG-QHCPKHFHSA-N 1 2 375.516 3.666 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2ncc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001225846968 1031648046 /nfs/dbraw/zinc/64/80/46/1031648046.db2.gz LYWQUKJJPCMYGN-OAHLLOKOSA-N 1 2 392.337 3.534 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2ncc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001225846968 1031648053 /nfs/dbraw/zinc/64/80/53/1031648053.db2.gz LYWQUKJJPCMYGN-OAHLLOKOSA-N 1 2 392.337 3.534 20 30 GHEDLO Cc1csc2[nH]c(=S)nc(O[C@H]3CC[N@H+](Cc4ccccc4C#N)C3)c12 ZINC001229352167 1033432140 /nfs/dbraw/zinc/43/21/40/1033432140.db2.gz GUUZDSITBQYBQA-HNNXBMFYSA-N 1 2 382.514 3.813 20 30 GHEDLO Cc1csc2[nH]c(=S)nc(O[C@H]3CC[N@@H+](Cc4ccccc4C#N)C3)c12 ZINC001229352167 1033432144 /nfs/dbraw/zinc/43/21/44/1033432144.db2.gz GUUZDSITBQYBQA-HNNXBMFYSA-N 1 2 382.514 3.813 20 30 GHEDLO Cc1nnc(O[C@@H]2CC[N@H+](Cc3ccc(Cl)c(Cl)c3)C2)c(C#N)c1C ZINC001229446014 1033485521 /nfs/dbraw/zinc/48/55/21/1033485521.db2.gz XWHGSEMNNTXOQC-CQSZACIVSA-N 1 2 377.275 3.925 20 30 GHEDLO Cc1nnc(O[C@@H]2CC[N@@H+](Cc3ccc(Cl)c(Cl)c3)C2)c(C#N)c1C ZINC001229446014 1033485522 /nfs/dbraw/zinc/48/55/22/1033485522.db2.gz XWHGSEMNNTXOQC-CQSZACIVSA-N 1 2 377.275 3.925 20 30 GHEDLO CC(C)(C)[NH+]1CC(Oc2cc(O)ccc2C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC001229587195 1033575065 /nfs/dbraw/zinc/57/50/65/1033575065.db2.gz SWVYIWXQHMKYBD-XBXARRHUSA-N 1 2 383.444 3.561 20 30 GHEDLO COC(=O)C1CCC(Oc2nc(C)c(-c3ccc4[nH+]ccn4c3)cc2C#N)CC1 ZINC001229766174 1033698083 /nfs/dbraw/zinc/69/80/83/1033698083.db2.gz KHSGLFPVVCAQMT-UHFFFAOYSA-N 1 2 390.443 3.687 20 30 GHEDLO CCCCCCC/C=C/C[N@@H+]1CCc2onc(COCC(=O)N(C)C)c2C1 ZINC001208120785 1034747054 /nfs/dbraw/zinc/74/70/54/1034747054.db2.gz UAQRZGPKGLIZAT-ZHACJKMWSA-N 1 2 377.529 3.554 20 30 GHEDLO CCCCCCC/C=C/C[N@H+]1CCc2onc(COCC(=O)N(C)C)c2C1 ZINC001208120785 1034747071 /nfs/dbraw/zinc/74/70/71/1034747071.db2.gz UAQRZGPKGLIZAT-ZHACJKMWSA-N 1 2 377.529 3.554 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1Cc1ccccc1-c1ccc(F)cc1 ZINC001231821888 1034929279 /nfs/dbraw/zinc/92/92/79/1034929279.db2.gz GRWGOYMHJKGYFA-JOCHJYFZSA-N 1 2 392.478 3.923 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1Cc1ccccc1-c1ccc(F)cc1 ZINC001231821888 1034929285 /nfs/dbraw/zinc/92/92/85/1034929285.db2.gz GRWGOYMHJKGYFA-JOCHJYFZSA-N 1 2 392.478 3.923 20 30 GHEDLO O[C@]1(C(F)(F)F)CC[N@H+](Cc2cnc(C(F)(F)F)cc2Cl)CC[C@H]1F ZINC001231899261 1034977758 /nfs/dbraw/zinc/97/77/58/1034977758.db2.gz DGKNWFMGFXMCGJ-ZYHUDNBSSA-N 1 2 394.718 3.981 20 30 GHEDLO O[C@]1(C(F)(F)F)CC[N@@H+](Cc2cnc(C(F)(F)F)cc2Cl)CC[C@H]1F ZINC001231899261 1034977762 /nfs/dbraw/zinc/97/77/62/1034977762.db2.gz DGKNWFMGFXMCGJ-ZYHUDNBSSA-N 1 2 394.718 3.981 20 30 GHEDLO N#Cc1cccc(N2C[C@@]3(CC[N@@H+](Cc4cccc(Cl)c4O)C3)CC2=O)c1 ZINC001231911108 1034985693 /nfs/dbraw/zinc/98/56/93/1034985693.db2.gz BRKMBSDVQGLTRA-NRFANRHFSA-N 1 2 381.863 3.546 20 30 GHEDLO N#Cc1cccc(N2C[C@@]3(CC[N@H+](Cc4cccc(Cl)c4O)C3)CC2=O)c1 ZINC001231911108 1034985694 /nfs/dbraw/zinc/98/56/94/1034985694.db2.gz BRKMBSDVQGLTRA-NRFANRHFSA-N 1 2 381.863 3.546 20 30 GHEDLO C[C@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[NH2+]CC(F)(F)C1 ZINC001160949122 1035102007 /nfs/dbraw/zinc/10/20/07/1035102007.db2.gz RCYYSNBZPWNFTN-UZLBHIALSA-N 1 2 383.442 3.893 20 30 GHEDLO N#Cc1ccc(C[N@H+]2Cc3cncn3C[C@H](COc3cccnc3)C2)cc1Cl ZINC001232114908 1035104209 /nfs/dbraw/zinc/10/42/09/1035104209.db2.gz ZJAPREVKSSXZKX-QGZVFWFLSA-N 1 2 393.878 3.514 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2Cc3cncn3C[C@H](COc3cccnc3)C2)cc1Cl ZINC001232114908 1035104234 /nfs/dbraw/zinc/10/42/34/1035104234.db2.gz ZJAPREVKSSXZKX-QGZVFWFLSA-N 1 2 393.878 3.514 20 30 GHEDLO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1c(F)cncc1Br)C2 ZINC001232127543 1035111472 /nfs/dbraw/zinc/11/14/72/1035111472.db2.gz RKFJNKTWDRXANP-ROUUACIJSA-N 1 2 399.304 3.557 20 30 GHEDLO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1c(F)cncc1Br)C2 ZINC001232127543 1035111473 /nfs/dbraw/zinc/11/14/73/1035111473.db2.gz RKFJNKTWDRXANP-ROUUACIJSA-N 1 2 399.304 3.557 20 30 GHEDLO N#Cc1ccnc(NCc2c[nH+]cn2Cc2ccccc2Br)c1F ZINC001161520361 1035248550 /nfs/dbraw/zinc/24/85/50/1035248550.db2.gz ZLAFGSVHUGSKOI-UHFFFAOYSA-N 1 2 386.228 3.712 20 30 GHEDLO N#Cc1cc(F)cc(-c2noc([C@@H]3[NH2+]CCc4cc(Br)ccc43)n2)c1 ZINC001248631222 1036008142 /nfs/dbraw/zinc/00/81/42/1036008142.db2.gz SSOQFIPUDAKZKI-MRXNPFEDSA-N 1 2 399.223 3.745 20 30 GHEDLO COc1cc(CCC#N)c(-c2cc(F)ccc2C[NH+]2CCOCC2)cc1OC ZINC001243087230 1036028896 /nfs/dbraw/zinc/02/88/96/1036028896.db2.gz HDTYKTHZMMEWAA-UHFFFAOYSA-N 1 2 384.451 3.798 20 30 GHEDLO COCc1c(C)cc(C)c(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1C ZINC001462063529 1069975144 /nfs/dbraw/zinc/97/51/44/1069975144.db2.gz VMQAUIWFYOLVFZ-PXNSSMCTSA-N 1 2 387.524 3.607 20 30 GHEDLO C=CC[C@@]1(C(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)CCCN1C(=O)OC(C)(C)C ZINC001462261660 1070129711 /nfs/dbraw/zinc/12/97/11/1070129711.db2.gz ZGGLRVJIWSNVLC-XXBNENTESA-N 1 2 399.535 3.635 20 30 GHEDLO C=CC[C@@]1(C(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)CCCN1C(=O)OC(C)(C)C ZINC001462261660 1070129715 /nfs/dbraw/zinc/12/97/15/1070129715.db2.gz ZGGLRVJIWSNVLC-XXBNENTESA-N 1 2 399.535 3.635 20 30 GHEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(OC)c(Cl)cc1OC ZINC001277705332 1038517534 /nfs/dbraw/zinc/51/75/34/1038517534.db2.gz PSGIQGMPPUGNTN-FQEVSTJZSA-N 1 2 378.900 3.500 20 30 GHEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(OC)c(Cl)cc1OC ZINC001277705332 1038517540 /nfs/dbraw/zinc/51/75/40/1038517540.db2.gz PSGIQGMPPUGNTN-FQEVSTJZSA-N 1 2 378.900 3.500 20 30 GHEDLO Cc1ccc2c(n1)N(Cc1cccnc1)CC[N@@H+](Cc1ccc(C#N)s1)C2 ZINC001232842800 1038593581 /nfs/dbraw/zinc/59/35/81/1038593581.db2.gz DYBJRIXMVMRKOL-UHFFFAOYSA-N 1 2 375.501 3.741 20 30 GHEDLO Cc1ccc2c(n1)N(Cc1cccnc1)CC[N@H+](Cc1ccc(C#N)s1)C2 ZINC001232842800 1038593584 /nfs/dbraw/zinc/59/35/84/1038593584.db2.gz DYBJRIXMVMRKOL-UHFFFAOYSA-N 1 2 375.501 3.741 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCO[C@]3(CCC[C@H]3COCc3ccncc3)C2)s1 ZINC001232843429 1038595327 /nfs/dbraw/zinc/59/53/27/1038595327.db2.gz XEMVSKOANLEAQT-GHTZIAJQSA-N 1 2 383.517 3.603 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCO[C@]3(CCC[C@H]3COCc3ccncc3)C2)s1 ZINC001232843429 1038595333 /nfs/dbraw/zinc/59/53/33/1038595333.db2.gz XEMVSKOANLEAQT-GHTZIAJQSA-N 1 2 383.517 3.603 20 30 GHEDLO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(N(C)C)c(C#N)c1F ZINC001233096431 1038868838 /nfs/dbraw/zinc/86/88/38/1038868838.db2.gz GBRATYQQWJUQEJ-OAHLLOKOSA-N 1 2 390.503 3.595 20 30 GHEDLO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(N(C)C)c(C#N)c1F ZINC001233096431 1038868860 /nfs/dbraw/zinc/86/88/60/1038868860.db2.gz GBRATYQQWJUQEJ-OAHLLOKOSA-N 1 2 390.503 3.595 20 30 GHEDLO COc1ccc(C(=O)C2CC[NH+](Cc3ccc(N(C)C)c(C#N)c3F)CC2)cc1 ZINC001233100353 1038878432 /nfs/dbraw/zinc/87/84/32/1038878432.db2.gz GSLNJKUACJBFQC-UHFFFAOYSA-N 1 2 395.478 3.867 20 30 GHEDLO CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC(C)(C)C)c(F)c1C#N ZINC001233100937 1038881333 /nfs/dbraw/zinc/88/13/33/1038881333.db2.gz OSFKMXHKDMZDRS-UVFQYZLESA-N 1 2 387.499 3.706 20 30 GHEDLO CN(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC(C)(C)C)c(F)c1C#N ZINC001233100937 1038881349 /nfs/dbraw/zinc/88/13/49/1038881349.db2.gz OSFKMXHKDMZDRS-UVFQYZLESA-N 1 2 387.499 3.706 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c(O)c1 ZINC001233387718 1039212377 /nfs/dbraw/zinc/21/23/77/1039212377.db2.gz VKNBSYJPDMDLTD-UHFFFAOYSA-N 1 2 390.270 3.529 20 30 GHEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3csc(Br)c3)C2)CC1 ZINC001233412135 1039262301 /nfs/dbraw/zinc/26/23/01/1039262301.db2.gz JYECIAHCWYLQIF-UHFFFAOYSA-N 1 2 385.327 3.731 20 30 GHEDLO CCCCCCCCCC[C@H](O)C[N@H+]1Cc2nnn(CC)c2[C@@H](COC)C1 ZINC001252979339 1039309726 /nfs/dbraw/zinc/30/97/26/1039309726.db2.gz KPWRKSCKGYIHEO-MOPGFXCFSA-N 1 2 380.577 3.735 20 30 GHEDLO CCCCCCCCCC[C@H](O)C[N@@H+]1Cc2nnn(CC)c2[C@@H](COC)C1 ZINC001252979339 1039309745 /nfs/dbraw/zinc/30/97/45/1039309745.db2.gz KPWRKSCKGYIHEO-MOPGFXCFSA-N 1 2 380.577 3.735 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCc4ccc(Cl)cc43)CC2)cc1 ZINC001233917645 1039705500 /nfs/dbraw/zinc/70/55/00/1039705500.db2.gz MGYCTDDABOEVJJ-OAQYLSRUSA-N 1 2 394.906 3.726 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[NH+](Cc2ccc(O[C@@H]3CC[C@H](C#N)C3)cc2)CC1 ZINC001234057903 1039792094 /nfs/dbraw/zinc/79/20/94/1039792094.db2.gz BGZJRNTWILCLIA-AZUAARDMSA-N 1 2 385.508 3.810 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(OC)c(Cl)c1O ZINC001277834756 1039883431 /nfs/dbraw/zinc/88/34/31/1039883431.db2.gz UILDTKXFPUEHID-HXUWFJFHSA-N 1 2 378.900 3.587 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(OC)c(Cl)c1O ZINC001277834756 1039883450 /nfs/dbraw/zinc/88/34/50/1039883450.db2.gz UILDTKXFPUEHID-HXUWFJFHSA-N 1 2 378.900 3.587 20 30 GHEDLO C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(F)c(F)c(Br)c1)CC2 ZINC001277861611 1040092427 /nfs/dbraw/zinc/09/24/27/1040092427.db2.gz HVKKCRITUUICTP-ZDUSSCGKSA-N 1 2 399.279 3.632 20 30 GHEDLO C=CCN(CC1CCCCC1)C(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC001254330909 1040173443 /nfs/dbraw/zinc/17/34/43/1040173443.db2.gz DNIDQGCNRZYGBS-UHFFFAOYSA-N 1 2 393.572 3.570 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@]12CC[N@H+](Cc1c(F)cc(C#N)cc1F)C2 ZINC001235651081 1041094776 /nfs/dbraw/zinc/09/47/76/1041094776.db2.gz KHRBXWDVTMYSNU-HXUWFJFHSA-N 1 2 377.435 3.812 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@]12CC[N@@H+](Cc1c(F)cc(C#N)cc1F)C2 ZINC001235651081 1041094799 /nfs/dbraw/zinc/09/47/99/1041094799.db2.gz KHRBXWDVTMYSNU-HXUWFJFHSA-N 1 2 377.435 3.812 20 30 GHEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(OCC)c(Br)c2)C1 ZINC001236672254 1041819643 /nfs/dbraw/zinc/81/96/43/1041819643.db2.gz DPQSOBRPBBGXQD-HNNXBMFYSA-N 1 2 397.313 3.724 20 30 GHEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccc(OCC)c(Br)c2)C1 ZINC001236672254 1041819644 /nfs/dbraw/zinc/81/96/44/1041819644.db2.gz DPQSOBRPBBGXQD-HNNXBMFYSA-N 1 2 397.313 3.724 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCC(NC(=O)C3CCCC3)CC2)cc1Br ZINC001236863320 1041933120 /nfs/dbraw/zinc/93/31/20/1041933120.db2.gz IHPHDIBGOMIHEJ-UHFFFAOYSA-N 1 2 390.325 3.592 20 30 GHEDLO COc1cc(C[NH+]2CCC(C)(C#N)CC2)c(Br)c(OC)c1OC ZINC001237954058 1042436223 /nfs/dbraw/zinc/43/62/23/1042436223.db2.gz RBKGTYFRKYNIGD-UHFFFAOYSA-N 1 2 383.286 3.601 20 30 GHEDLO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cc(F)c(O)c(Cl)c3)C2)C1 ZINC001237985535 1042445190 /nfs/dbraw/zinc/44/51/90/1042445190.db2.gz YYROZXNUBWPZQY-IBGZPJMESA-N 1 2 382.863 3.795 20 30 GHEDLO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](Cc3cc(F)c(O)c(Cl)c3)C2)C1 ZINC001237985535 1042445193 /nfs/dbraw/zinc/44/51/93/1042445193.db2.gz YYROZXNUBWPZQY-IBGZPJMESA-N 1 2 382.863 3.795 20 30 GHEDLO CC(C)(C)OC(=O)N1CCc2cccc(C[N@@H+]3CC[C@H]4SC(=O)C=C4C3)c21 ZINC001238201732 1042517996 /nfs/dbraw/zinc/51/79/96/1042517996.db2.gz HUZNCIRRKUYRJD-QGZVFWFLSA-N 1 2 386.517 3.758 20 30 GHEDLO CC(C)(C)OC(=O)N1CCc2cccc(C[N@H+]3CC[C@H]4SC(=O)C=C4C3)c21 ZINC001238201732 1042517998 /nfs/dbraw/zinc/51/79/98/1042517998.db2.gz HUZNCIRRKUYRJD-QGZVFWFLSA-N 1 2 386.517 3.758 20 30 GHEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC001258681256 1044708595 /nfs/dbraw/zinc/70/85/95/1044708595.db2.gz JXSOQZPWALBFCS-UGSOOPFHSA-N 1 2 395.334 3.855 20 30 GHEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC001258681256 1044708612 /nfs/dbraw/zinc/70/86/12/1044708612.db2.gz JXSOQZPWALBFCS-UGSOOPFHSA-N 1 2 395.334 3.855 20 30 GHEDLO C=CCCCn1c(CC2CCCC2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001301228920 1046416654 /nfs/dbraw/zinc/41/66/54/1046416654.db2.gz ANRDQWQVXLPKRY-UHFFFAOYSA-N 1 2 380.540 3.699 20 30 GHEDLO CC(C)C[C@H](c1nnc(N(C)[C@H]2CCC[C@H]2C#N)n1CC(C)C)n1cc[nH+]c1 ZINC001263412986 1046795253 /nfs/dbraw/zinc/79/52/53/1046795253.db2.gz NPNQTQHTRZVWBV-GBESFXJTSA-N 1 2 383.544 3.895 20 30 GHEDLO CCN(C(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1ccc(C#N)cc1Br)C(C)C ZINC001279962309 1048015307 /nfs/dbraw/zinc/01/53/07/1048015307.db2.gz VMGKJWVMGZGOCD-APWZRJJASA-N 1 2 390.325 3.542 20 30 GHEDLO CCN(C(=O)[C@]12C[C@H]1CC[N@H+]2Cc1ccc(C#N)cc1Br)C(C)C ZINC001279962309 1048015323 /nfs/dbraw/zinc/01/53/23/1048015323.db2.gz VMGKJWVMGZGOCD-APWZRJJASA-N 1 2 390.325 3.542 20 30 GHEDLO C=C(C)CN(CC)c1nnc(C2CC2)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001286577973 1048372314 /nfs/dbraw/zinc/37/23/14/1048372314.db2.gz CMAYCYNJXHXLQE-NRFANRHFSA-N 1 2 395.551 3.631 20 30 GHEDLO C=C(C)CN(CC)c1nnc(CC2CC2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001286583770 1048377273 /nfs/dbraw/zinc/37/72/73/1048377273.db2.gz QGIHCXOPFUVRIT-UHFFFAOYSA-N 1 2 376.508 3.867 20 30 GHEDLO C=CC1CCN(c2nnc(CC(C)C)n2CCc2cn3ccccc3[nH+]2)CC1 ZINC001286658882 1048425352 /nfs/dbraw/zinc/42/53/52/1048425352.db2.gz AXJKWYLQQZPUDG-UHFFFAOYSA-N 1 2 378.524 3.769 20 30 GHEDLO CC(C)(C)OC(=O)C1([NH2+]CCC(=O)Nc2ccc(C#N)cc2)CCCCCC1 ZINC001307894648 1049673505 /nfs/dbraw/zinc/67/35/05/1049673505.db2.gz KZEKMAQOKNPFPE-UHFFFAOYSA-N 1 2 385.508 3.911 20 30 GHEDLO C=CCn1c(=S)n(C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)nc1-c1ccncc1 ZINC001330664436 1051060124 /nfs/dbraw/zinc/06/01/24/1051060124.db2.gz IDZVNRGNZWWPJH-MOPGFXCFSA-N 1 2 399.564 3.901 20 30 GHEDLO C=CCn1c(=S)n(C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)nc1-c1ccncc1 ZINC001330664436 1051060132 /nfs/dbraw/zinc/06/01/32/1051060132.db2.gz IDZVNRGNZWWPJH-MOPGFXCFSA-N 1 2 399.564 3.901 20 30 GHEDLO C=CC[C@@H]1NC(=O)N(Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)C1=O ZINC001332405171 1051514511 /nfs/dbraw/zinc/51/45/11/1051514511.db2.gz RXKRXFJBBVYCSQ-NRFANRHFSA-N 1 2 386.455 3.595 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC001332834163 1051579884 /nfs/dbraw/zinc/57/98/84/1051579884.db2.gz UAFVRLRZCIPPJJ-CYBMUJFWSA-N 1 2 389.550 3.921 20 30 GHEDLO C#C[C@H](NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)c1ccc(F)cc1 ZINC001312935249 1052915339 /nfs/dbraw/zinc/91/53/39/1052915339.db2.gz YWZFPEDYKCXPQO-BHDDXSALSA-N 1 2 388.446 3.925 20 30 GHEDLO O=C1C=COC2(CC[NH+](Cc3ccc(OC(F)F)cc3OC(F)F)CC2)C1 ZINC001343307524 1053693692 /nfs/dbraw/zinc/69/36/92/1053693692.db2.gz YMJKHLXFYOBOLZ-UHFFFAOYSA-N 1 2 389.345 3.727 20 30 GHEDLO CC(C)Cn1c([C@H]2C[C@H]2C#N)nnc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001343556177 1053875037 /nfs/dbraw/zinc/87/50/37/1053875037.db2.gz AJRMMAIZOQZLAC-HKUYNNGSSA-N 1 2 398.942 3.537 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1C[C@@H](OC)CC[C@@H]1C ZINC001343577699 1053901840 /nfs/dbraw/zinc/90/18/40/1053901840.db2.gz RNSLFORSTKGCFH-GBESFXJTSA-N 1 2 386.544 3.690 20 30 GHEDLO COc1cc[nH+]cc1Cn1c(C2CCCC2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001315673184 1053908998 /nfs/dbraw/zinc/90/89/98/1053908998.db2.gz ZEPZMYGHVCNVRW-OAQYLSRUSA-N 1 2 380.496 3.518 20 30 GHEDLO O=C(Nc1cccc(C#Cc2ccccn2)c1)[C@@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC001318313834 1054561641 /nfs/dbraw/zinc/56/16/41/1054561641.db2.gz SKMNLTCMMBNFFW-DEOSSOPVSA-N 1 2 396.494 3.870 20 30 GHEDLO O=C(Nc1cccc(C#Cc2ccccn2)c1)[C@@H]1CCCC[N@H+]1Cc1ccncc1 ZINC001318313834 1054561656 /nfs/dbraw/zinc/56/16/56/1054561656.db2.gz SKMNLTCMMBNFFW-DEOSSOPVSA-N 1 2 396.494 3.870 20 30 GHEDLO CCOc1ccc(C[N@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)cc1OC ZINC001319889786 1055525459 /nfs/dbraw/zinc/52/54/59/1055525459.db2.gz JBJVEURRUDHZBC-UHFFFAOYSA-N 1 2 387.505 3.714 20 30 GHEDLO CCOc1ccc(C[N@@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)cc1OC ZINC001319889786 1055525474 /nfs/dbraw/zinc/52/54/74/1055525474.db2.gz JBJVEURRUDHZBC-UHFFFAOYSA-N 1 2 387.505 3.714 20 30 GHEDLO N#CCc1cccc(NC[C@@H](c2ccc(C(F)(F)F)cc2)[NH+]2CCOCC2)n1 ZINC001320490146 1055836507 /nfs/dbraw/zinc/83/65/07/1055836507.db2.gz LQIMDBTYPHIUHK-SFHVURJKSA-N 1 2 390.409 3.652 20 30 GHEDLO N#Cc1cc(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)ccc1F ZINC001321891855 1056434217 /nfs/dbraw/zinc/43/42/17/1056434217.db2.gz ZXQPZKRRWSKMSB-UHFFFAOYSA-N 1 2 377.423 3.812 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2C[C@@H](C)c2ccc(C)cc2)CC1 ZINC001300682220 1056858942 /nfs/dbraw/zinc/85/89/42/1056858942.db2.gz HZTOQXAGPGQFAJ-WOJBJXKFSA-N 1 2 379.552 3.659 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccccc2)C2CC2)CC1 ZINC001300682287 1056859482 /nfs/dbraw/zinc/85/94/82/1056859482.db2.gz JVGCYWPSHBPFER-NRFANRHFSA-N 1 2 391.563 3.525 20 30 GHEDLO N#Cc1cccc(NC(=O)CCSCc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC001325419105 1057325524 /nfs/dbraw/zinc/32/55/24/1057325524.db2.gz HMDJYHCFVFRRSJ-UHFFFAOYSA-N 1 2 395.528 3.652 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 ZINC001356239173 1057443449 /nfs/dbraw/zinc/44/34/49/1057443449.db2.gz PBQBMOCJHDTQIZ-AQNXPRMDSA-N 1 2 398.555 3.692 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@H]1c1ccc(OCC)cc1 ZINC001339090950 1058955931 /nfs/dbraw/zinc/95/59/31/1058955931.db2.gz IXCDEZRDRKLFJR-IBGZPJMESA-N 1 2 392.507 3.529 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@@H]1[C@@H](C)c1ccccc1 ZINC001339094355 1058956805 /nfs/dbraw/zinc/95/68/05/1058956805.db2.gz FEKJZPUOTKCSFZ-PKOBYXMFSA-N 1 2 376.508 3.561 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC2(CC2)c2ccccc21 ZINC001339501209 1059258615 /nfs/dbraw/zinc/25/86/15/1059258615.db2.gz PBHQLVAPXYZHCS-UHFFFAOYSA-N 1 2 376.508 3.574 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@]2(C1)OCc1ccccc12 ZINC001339528056 1059279934 /nfs/dbraw/zinc/27/99/34/1059279934.db2.gz AYSCMJVPAAWFBR-OFNKIYASSA-N 1 2 393.535 3.647 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@]2(C1)OCc1ccccc12 ZINC001339528056 1059279948 /nfs/dbraw/zinc/27/99/48/1059279948.db2.gz AYSCMJVPAAWFBR-OFNKIYASSA-N 1 2 393.535 3.647 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N(C)C[C@@H]1CCCOC1 ZINC001339773829 1059459224 /nfs/dbraw/zinc/45/92/24/1059459224.db2.gz FYXLAGATWAFYEH-ICSRJNTNSA-N 1 2 383.540 3.520 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N(C)C[C@@H]1CCCOC1 ZINC001339773829 1059459231 /nfs/dbraw/zinc/45/92/31/1059459231.db2.gz FYXLAGATWAFYEH-ICSRJNTNSA-N 1 2 383.540 3.520 20 30 GHEDLO C=CCn1c(-c2ccccc2Cl)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC001339968339 1059586897 /nfs/dbraw/zinc/58/68/97/1059586897.db2.gz WHXPWQPOJLFPPA-UHFFFAOYSA-N 1 2 394.910 3.502 20 30 GHEDLO C=CCO[C@@H]1CC[N@@H+](Cc2csc(CC(=O)Nc3cc(C)ccc3C)n2)C1 ZINC001342229658 1061158664 /nfs/dbraw/zinc/15/86/64/1061158664.db2.gz WQCVLEYKQDZWBN-GOSISDBHSA-N 1 2 385.533 3.718 20 30 GHEDLO C=CCO[C@@H]1CC[N@H+](Cc2csc(CC(=O)Nc3cc(C)ccc3C)n2)C1 ZINC001342229658 1061158679 /nfs/dbraw/zinc/15/86/79/1061158679.db2.gz WQCVLEYKQDZWBN-GOSISDBHSA-N 1 2 385.533 3.718 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2Cc2ccccc2)nnc1N1CCC(C#N)CC1 ZINC001342232646 1061159800 /nfs/dbraw/zinc/15/98/00/1061159800.db2.gz MCWOVLHDVKIXKJ-NRFANRHFSA-N 1 2 390.535 3.931 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@H+]2Cc2ccccc2)nnc1N1CCC(C#N)CC1 ZINC001342232646 1061159808 /nfs/dbraw/zinc/15/98/08/1061159808.db2.gz MCWOVLHDVKIXKJ-NRFANRHFSA-N 1 2 390.535 3.931 20 30 GHEDLO N#CCC[NH+]1CCC(c2nnc(N3CCC[C@@H]3C3CCC3)n2CC2CC2)CC1 ZINC001346601373 1061719902 /nfs/dbraw/zinc/71/99/02/1061719902.db2.gz DCIZTJSPKCXCBB-HXUWFJFHSA-N 1 2 382.556 3.550 20 30 GHEDLO N#Cc1ccccc1OCc1ccc(C(=O)N2CCC(Cc3c[nH]c[nH+]3)CC2)o1 ZINC001348558623 1063214457 /nfs/dbraw/zinc/21/44/57/1063214457.db2.gz NZGYXMGIKKQZQB-UHFFFAOYSA-N 1 2 390.443 3.548 20 30 GHEDLO CCOc1cc(C[N@H+](CCC#N)CC(CC)CC)nc2nc(C(F)(F)F)nn21 ZINC001459610270 1064141925 /nfs/dbraw/zinc/14/19/25/1064141925.db2.gz PKHLBAOBQWXAML-UHFFFAOYSA-N 1 2 398.433 3.694 20 30 GHEDLO CCOc1cc(C[N@@H+](CCC#N)CC(CC)CC)nc2nc(C(F)(F)F)nn21 ZINC001459610270 1064141932 /nfs/dbraw/zinc/14/19/32/1064141932.db2.gz PKHLBAOBQWXAML-UHFFFAOYSA-N 1 2 398.433 3.694 20 30 GHEDLO N#Cc1ccc(Oc2ccc(NC(=O)NCCCNc3cccc[nH+]3)cc2)nc1 ZINC001465431386 1065608206 /nfs/dbraw/zinc/60/82/06/1065608206.db2.gz GWDXMJNMDDSAKH-UHFFFAOYSA-N 1 2 388.431 3.764 20 30 GHEDLO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC001465896234 1065914041 /nfs/dbraw/zinc/91/40/41/1065914041.db2.gz AXQUSGSHBLOEQN-HNNXBMFYSA-N 1 2 378.860 3.846 20 30 GHEDLO CC(C)C[C@H](C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)n1cc[nH+]c1 ZINC001466335768 1066097811 /nfs/dbraw/zinc/09/78/11/1066097811.db2.gz FHADJSJJHCFMKV-QGZVFWFLSA-N 1 2 382.855 3.820 20 30 GHEDLO Cc1nsc(NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)c1C#N ZINC001466466736 1066165573 /nfs/dbraw/zinc/16/55/73/1066165573.db2.gz UBNOBJVJIQVBSL-UHFFFAOYSA-N 1 2 376.445 3.882 20 30 GHEDLO C=C[C@@H](CC)CC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC001467931593 1067532919 /nfs/dbraw/zinc/53/29/19/1067532919.db2.gz FADPNTCAWBWZOZ-AWEZNQCLSA-N 1 2 380.286 3.870 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2[C@H]2C[C@@H]2C)CC1 ZINC001359032234 1067659176 /nfs/dbraw/zinc/65/91/76/1067659176.db2.gz HBOMAWHQIVUNSB-GUYCJALGSA-N 1 2 390.318 3.588 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCC=C(C)C)CC1 ZINC001359030354 1067659411 /nfs/dbraw/zinc/65/94/11/1067659411.db2.gz UPMDEORCJANMKA-JOCHJYFZSA-N 1 2 391.563 3.932 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccccc3C)n2CCCC(C)(C)C)CC1 ZINC001359036732 1067660356 /nfs/dbraw/zinc/66/03/56/1067660356.db2.gz GWYZQJCHSSFYEH-UHFFFAOYSA-N 1 2 393.579 3.759 20 30 GHEDLO C#C[C@]1(C)CCCN1c1nnc(CC(C)C)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001359071077 1067671489 /nfs/dbraw/zinc/67/14/89/1067671489.db2.gz CBPWODMTNXPBDP-PGRDOPGGSA-N 1 2 380.540 3.551 20 30 GHEDLO C=CCN(CC=C)c1nnc(-c2ccccc2C)n1Cc1c[nH+]ccc1OC ZINC001359268795 1067932677 /nfs/dbraw/zinc/93/26/77/1067932677.db2.gz DCVWVPHEHOKIRO-UHFFFAOYSA-N 1 2 375.476 3.884 20 30 GHEDLO C=CCC1(O)CC[NH+](Cc2ccc(I)c(Cl)c2)CC1 ZINC001460799586 1069187944 /nfs/dbraw/zinc/18/79/44/1069187944.db2.gz FQXUDALCGKEKPP-UHFFFAOYSA-N 1 2 391.680 3.848 20 30 GHEDLO N#Cc1cccc([C@@H](NC(=O)Cc2c[nH+]cn2Cc2ccccc2)C(F)(F)F)c1 ZINC001471421724 1073065173 /nfs/dbraw/zinc/06/51/73/1073065173.db2.gz QFAVTGHOIIZQPP-HXUWFJFHSA-N 1 2 398.388 3.765 20 30 GHEDLO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2c[nH]c(C(C)C)[nH+]2)cc1C ZINC001472095248 1073332257 /nfs/dbraw/zinc/33/22/57/1073332257.db2.gz VBJZXMFHQKHQAA-UHFFFAOYSA-N 1 2 390.491 3.857 20 30 GHEDLO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2c[nH+]c(C(C)C)[nH]2)cc1C ZINC001472095248 1073332266 /nfs/dbraw/zinc/33/22/66/1073332266.db2.gz VBJZXMFHQKHQAA-UHFFFAOYSA-N 1 2 390.491 3.857 20 30 GHEDLO N#Cc1nc(N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)sc1Cl ZINC001472640427 1073590470 /nfs/dbraw/zinc/59/04/70/1073590470.db2.gz XMMNDWDAUHAHGG-UHFFFAOYSA-N 1 2 383.304 3.523 20 30 GHEDLO N#Cc1ccc(-c2cc(N3CC[NH+](Cc4ccccc4Cl)CC3)n[nH]2)cc1 ZINC001473623284 1074053810 /nfs/dbraw/zinc/05/38/10/1074053810.db2.gz NKKCRQVAMSILGK-UHFFFAOYSA-N 1 2 377.879 3.924 20 30 GHEDLO C=CCC1(O)CC[NH+]([C@H](C)C(=O)Nc2nc(-c3ccc(C)cc3)cs2)CC1 ZINC001473808314 1074153750 /nfs/dbraw/zinc/15/37/50/1074153750.db2.gz DGIRXAJRYUCRED-MRXNPFEDSA-N 1 2 385.533 3.849 20 30 GHEDLO CCOc1ccccc1CN1CC[N@H+](Cc2ccc(C#N)c(OC)c2)[C@H](C)C1 ZINC001474470370 1074420793 /nfs/dbraw/zinc/42/07/93/1074420793.db2.gz IRUVENISZWHPDH-GOSISDBHSA-N 1 2 379.504 3.672 20 30 GHEDLO CCOc1ccccc1CN1CC[N@@H+](Cc2ccc(C#N)c(OC)c2)[C@H](C)C1 ZINC001474470370 1074420795 /nfs/dbraw/zinc/42/07/95/1074420795.db2.gz IRUVENISZWHPDH-GOSISDBHSA-N 1 2 379.504 3.672 20 30 GHEDLO CC(C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(Cl)c(C#N)c3)c2C1 ZINC000180714142 837481653 /nfs/dbraw/zinc/48/16/53/837481653.db2.gz AUZOHINYCFNBSN-UHFFFAOYSA-N 1 2 375.881 3.736 20 30 GHEDLO CC(C)[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(Cl)c(C#N)c3)c2C1 ZINC000180714142 837481658 /nfs/dbraw/zinc/48/16/58/837481658.db2.gz AUZOHINYCFNBSN-UHFFFAOYSA-N 1 2 375.881 3.736 20 30 GHEDLO N#CCC1(CNC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000430164231 834714518 /nfs/dbraw/zinc/71/45/18/834714518.db2.gz AZERDOLSUGACDJ-MRXNPFEDSA-N 1 2 378.879 3.609 20 30 GHEDLO COc1cc(Cl)c(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1Cl ZINC000430181368 834812678 /nfs/dbraw/zinc/81/26/78/834812678.db2.gz VNQVWEBZFLXYFF-AWEZNQCLSA-N 1 2 378.259 3.922 20 30 GHEDLO COc1cc(Cl)c(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1Cl ZINC000430181368 834812685 /nfs/dbraw/zinc/81/26/85/834812685.db2.gz VNQVWEBZFLXYFF-AWEZNQCLSA-N 1 2 378.259 3.922 20 30 GHEDLO Cc1ccc(OC2CC[NH+]([C@@H]3CCN(c4sccc4C#N)C3=O)CC2)cc1C ZINC000177012537 837826827 /nfs/dbraw/zinc/82/68/27/837826827.db2.gz DHEJUSBNDWBCMQ-HXUWFJFHSA-N 1 2 395.528 3.885 20 30 GHEDLO C[C@@H](C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)[NH+]1CCSCC1 ZINC000151512495 835477778 /nfs/dbraw/zinc/47/77/78/835477778.db2.gz JFRYVQPRGJRISK-KRWDZBQOSA-N 1 2 395.528 3.707 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(C#N)s2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000584046402 835509677 /nfs/dbraw/zinc/50/96/77/835509677.db2.gz IYOXUDVXOJDYKP-SJORKVTESA-N 1 2 392.887 3.657 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)NCc2ccc(C#N)s2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000584046402 835509682 /nfs/dbraw/zinc/50/96/82/835509682.db2.gz IYOXUDVXOJDYKP-SJORKVTESA-N 1 2 392.887 3.657 20 30 GHEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@H](CCCC#N)c2ccccc2)CC1 ZINC000458795648 835582531 /nfs/dbraw/zinc/58/25/31/835582531.db2.gz CUBZUPAXCLNSKV-SIKLNZKXSA-N 1 2 391.519 3.905 20 30 GHEDLO COc1ccc(C(N)=[NH+]OCc2ncc(-c3ccc(Cl)cc3)o2)cc1OC ZINC000102704038 835783470 /nfs/dbraw/zinc/78/34/70/835783470.db2.gz JJPYQAHISYJNDQ-UHFFFAOYSA-N 1 2 387.823 3.849 20 30 GHEDLO N#Cc1ccccc1-c1ccc(CNC(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000179728762 835962367 /nfs/dbraw/zinc/96/23/67/835962367.db2.gz NMSQDOKTCULMTB-UHFFFAOYSA-N 1 2 381.439 3.872 20 30 GHEDLO N#Cc1ccccc1-c1ccc(CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000179743854 835964030 /nfs/dbraw/zinc/96/40/30/835964030.db2.gz ICSPGSXZUBTPOI-OAQYLSRUSA-N 1 2 397.482 3.698 20 30 GHEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H](OCc4ccccc4F)C3)o2)cc1 ZINC000375917692 836205627 /nfs/dbraw/zinc/20/56/27/836205627.db2.gz HDTKNGIHTMIXFN-IBGZPJMESA-N 1 2 392.434 3.929 20 30 GHEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H](OCc4ccccc4F)C3)o2)cc1 ZINC000375917692 836205636 /nfs/dbraw/zinc/20/56/36/836205636.db2.gz HDTKNGIHTMIXFN-IBGZPJMESA-N 1 2 392.434 3.929 20 30 GHEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC000187215221 836221304 /nfs/dbraw/zinc/22/13/04/836221304.db2.gz YZZAYKKJGPWXLO-UHFFFAOYSA-N 1 2 387.936 3.844 20 30 GHEDLO CCN(CC)c1cc(N2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)nc[nH+]1 ZINC001167152213 836666239 /nfs/dbraw/zinc/66/62/39/836666239.db2.gz DISMIOJDSOZTGP-UHFFFAOYSA-N 1 2 385.899 3.896 20 30 GHEDLO CCN(CC)c1cc(N2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)[nH+]cn1 ZINC001167152213 836666245 /nfs/dbraw/zinc/66/62/45/836666245.db2.gz DISMIOJDSOZTGP-UHFFFAOYSA-N 1 2 385.899 3.896 20 30 GHEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000186281018 837133799 /nfs/dbraw/zinc/13/37/99/837133799.db2.gz ZUZVGOMRSNDXGS-OAHLLOKOSA-N 1 2 379.489 3.549 20 30 GHEDLO Cc1[nH+]cc(Nc2cc(Cl)c(I)cc2C#N)cc1N ZINC001210293685 838042109 /nfs/dbraw/zinc/04/21/09/838042109.db2.gz PCBIVAFHXZTPPT-UHFFFAOYSA-N 1 2 384.608 3.846 20 30 GHEDLO Cc1ccc(C(=O)C2CC[NH+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)cc1 ZINC000122770965 838350401 /nfs/dbraw/zinc/35/04/01/838350401.db2.gz NAZAOZCURUBHQN-QFIPXVFZSA-N 1 2 387.483 3.567 20 30 GHEDLO Cc1cccc(O[C@@H](C)C(=O)N2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000584522599 838726522 /nfs/dbraw/zinc/72/65/22/838726522.db2.gz RDTGMQAYYZYMOG-OALUTQOASA-N 1 2 377.488 3.539 20 30 GHEDLO C=C(C)Cn1c(-c2ccncc2)nn(CN2CCC(n3cc[nH+]c3)CC2)c1=S ZINC000160369908 838832990 /nfs/dbraw/zinc/83/29/90/838832990.db2.gz WGTLIOXEPMSDMT-UHFFFAOYSA-N 1 2 395.536 3.543 20 30 GHEDLO C[C@H](c1cccnc1)[NH+]1CCN(c2cc(Br)c(C#N)cc2F)CC1 ZINC000580095012 838856843 /nfs/dbraw/zinc/85/68/43/838856843.db2.gz FOPZWCQQLYIPEC-CYBMUJFWSA-N 1 2 389.272 3.738 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)CN3CCCCCCC3=O)n2)C1 ZINC000328707141 838870277 /nfs/dbraw/zinc/87/02/77/838870277.db2.gz ZISSXPRMBXQPJF-OAHLLOKOSA-N 1 2 378.542 3.756 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)CN3CCCCCCC3=O)n2)C1 ZINC000328707141 838870281 /nfs/dbraw/zinc/87/02/81/838870281.db2.gz ZISSXPRMBXQPJF-OAHLLOKOSA-N 1 2 378.542 3.756 20 30 GHEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cc(OC(F)(F)F)ccc2F)C1 ZINC001143550664 844482822 /nfs/dbraw/zinc/48/28/22/844482822.db2.gz LSDCPYLCFGIGOF-ZDUSSCGKSA-N 1 2 376.350 3.601 20 30 GHEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cc(OC(F)(F)F)ccc2F)C1 ZINC001143550664 844482826 /nfs/dbraw/zinc/48/28/26/844482826.db2.gz LSDCPYLCFGIGOF-ZDUSSCGKSA-N 1 2 376.350 3.601 20 30 GHEDLO CC1(C)CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000599468851 861217508 /nfs/dbraw/zinc/21/75/08/861217508.db2.gz QSSGWZPXFMKHIO-RTBURBONSA-N 1 2 392.927 3.563 20 30 GHEDLO CC1(C)CO[C@@H](c2cccc(Cl)c2)C[N@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000599468851 861217529 /nfs/dbraw/zinc/21/75/29/861217529.db2.gz QSSGWZPXFMKHIO-RTBURBONSA-N 1 2 392.927 3.563 20 30 GHEDLO C=CCCn1cc(CNc2[nH+]c3cc(Br)ccc3n2CC)nn1 ZINC000656772965 841905457 /nfs/dbraw/zinc/90/54/57/841905457.db2.gz ZNKCXXNBBTWYIA-UHFFFAOYSA-N 1 2 375.274 3.598 20 30 GHEDLO COc1cc(C#N)ccc1C[NH2+][C@H](CCO)c1ccccc1Br ZINC000541951757 841989332 /nfs/dbraw/zinc/98/93/32/841989332.db2.gz JVMBUMWBCWYQCC-QGZVFWFLSA-N 1 2 375.266 3.543 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC2(CCCC2=O)CC1 ZINC000661958302 842395906 /nfs/dbraw/zinc/39/59/06/842395906.db2.gz KEVNXYJLWWQRSJ-INIZCTEOSA-N 1 2 385.533 3.712 20 30 GHEDLO O=C(C[N@@H+]1CC[C@@H](n2ncc3ccccc32)C1)Nc1nc2c(s1)CCCC2 ZINC000329343047 861305265 /nfs/dbraw/zinc/30/52/65/861305265.db2.gz PWVRMKUIARHQQV-OAHLLOKOSA-N 1 2 381.505 3.907 20 30 GHEDLO O=C(C[N@H+]1CC[C@@H](n2ncc3ccccc32)C1)Nc1nc2c(s1)CCCC2 ZINC000329343047 861305281 /nfs/dbraw/zinc/30/52/81/861305281.db2.gz PWVRMKUIARHQQV-OAHLLOKOSA-N 1 2 381.505 3.907 20 30 GHEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)CC1 ZINC000329386640 861361028 /nfs/dbraw/zinc/36/10/28/861361028.db2.gz SMXZLTYWEMVLNP-QGPMSJSTSA-N 1 2 392.569 3.874 20 30 GHEDLO C=C[C@H](CC(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1)c1ccccc1 ZINC000186627731 843126147 /nfs/dbraw/zinc/12/61/47/843126147.db2.gz MODGAHSIOQGFPQ-HXUWFJFHSA-N 1 2 391.515 3.649 20 30 GHEDLO Cc1cc(Br)ccc1[C@H]1CCC[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000599637807 861432991 /nfs/dbraw/zinc/43/29/91/861432991.db2.gz VRMMWKJJRLQLJW-IEBWSBKVSA-N 1 2 390.325 3.703 20 30 GHEDLO Cc1cc(Br)ccc1[C@H]1CCC[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000599637807 861432997 /nfs/dbraw/zinc/43/29/97/861432997.db2.gz VRMMWKJJRLQLJW-IEBWSBKVSA-N 1 2 390.325 3.703 20 30 GHEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000024887140 843636818 /nfs/dbraw/zinc/63/68/18/843636818.db2.gz MYECGOIJXZGVDT-HUUCEWRRSA-N 1 2 384.505 3.653 20 30 GHEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000024887140 843636824 /nfs/dbraw/zinc/63/68/24/843636824.db2.gz MYECGOIJXZGVDT-HUUCEWRRSA-N 1 2 384.505 3.653 20 30 GHEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000500617742 843737560 /nfs/dbraw/zinc/73/75/60/843737560.db2.gz MPMIMRMDJFZJPL-MRRJBJDNSA-N 1 2 389.286 3.842 20 30 GHEDLO N#Cc1ccccc1CN(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510905565 843771279 /nfs/dbraw/zinc/77/12/79/843771279.db2.gz GYFYOZCSWMPXHH-UHFFFAOYSA-N 1 2 385.265 3.813 20 30 GHEDLO N#CC1(F)CC[NH+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000510916864 843810300 /nfs/dbraw/zinc/81/03/00/843810300.db2.gz NVNDCWCFQUWUCZ-MRXNPFEDSA-N 1 2 384.282 3.985 20 30 GHEDLO COC(=O)c1cc([C@H](C)[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)oc1C ZINC000433205402 843829645 /nfs/dbraw/zinc/82/96/45/843829645.db2.gz DRLJQMPSTDNNAA-ZDUSSCGKSA-N 1 2 387.867 3.783 20 30 GHEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000512481243 843966311 /nfs/dbraw/zinc/96/63/11/843966311.db2.gz SXQZHEMKEPWYPG-ALCCZGGFSA-N 1 2 399.454 3.850 20 30 GHEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000126126616 844718648 /nfs/dbraw/zinc/71/86/48/844718648.db2.gz MQJXIKIHYNDRNA-YJBOKZPZSA-N 1 2 390.270 3.545 20 30 GHEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000126126616 844718656 /nfs/dbraw/zinc/71/86/56/844718656.db2.gz MQJXIKIHYNDRNA-YJBOKZPZSA-N 1 2 390.270 3.545 20 30 GHEDLO CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(Cc2ccnc(C#N)c2)CC1 ZINC000610992494 845078397 /nfs/dbraw/zinc/07/83/97/845078397.db2.gz KGBOOBDNGXTSSD-FQEVSTJZSA-N 1 2 399.336 3.985 20 30 GHEDLO C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686512 861530082 /nfs/dbraw/zinc/53/00/82/861530082.db2.gz SSUQTXRZKCUIMO-AWEZNQCLSA-N 1 2 385.414 3.739 20 30 GHEDLO C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686512 861530087 /nfs/dbraw/zinc/53/00/87/861530087.db2.gz SSUQTXRZKCUIMO-AWEZNQCLSA-N 1 2 385.414 3.739 20 30 GHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N(C)Cc2ccc(C#N)cc2)c(C)c1 ZINC000611005164 845125865 /nfs/dbraw/zinc/12/58/65/845125865.db2.gz ROZNSZSRSVPDRB-QFIPXVFZSA-N 1 2 387.487 3.955 20 30 GHEDLO C#CCN1C(=O)c2ccccc2NC12CC[NH+](Cc1c(F)cccc1Cl)CC2 ZINC000731301706 861551961 /nfs/dbraw/zinc/55/19/61/861551961.db2.gz LSYBOEWDNMRUGF-UHFFFAOYSA-N 1 2 397.881 3.972 20 30 GHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1[nH]c2ccccc2c1C#N ZINC000896758155 861577504 /nfs/dbraw/zinc/57/75/04/861577504.db2.gz NBNPMKUXRJXBAJ-UHFFFAOYSA-N 1 2 387.487 3.813 20 30 GHEDLO CC(C)OCc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000513558850 845665888 /nfs/dbraw/zinc/66/58/88/845665888.db2.gz QNTJJCRVSZISDV-UHFFFAOYSA-N 1 2 392.503 3.833 20 30 GHEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCO[C@@H](c3cccs3)C1)CCC2 ZINC000157568087 846004063 /nfs/dbraw/zinc/00/40/63/846004063.db2.gz QJFAFLATZBZSLZ-OAHLLOKOSA-N 1 2 387.530 3.572 20 30 GHEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCO[C@@H](c3cccs3)C1)CCC2 ZINC000157568087 846004071 /nfs/dbraw/zinc/00/40/71/846004071.db2.gz QJFAFLATZBZSLZ-OAHLLOKOSA-N 1 2 387.530 3.572 20 30 GHEDLO N#Cc1ccc(C2=CC[N@H+]([C@@H](C(=O)NC3CC3)c3ccc(F)cc3)CC2)cc1 ZINC000502518236 846170929 /nfs/dbraw/zinc/17/09/29/846170929.db2.gz VQVJJIRHAWQALL-JOCHJYFZSA-N 1 2 375.447 3.806 20 30 GHEDLO N#Cc1ccc(C2=CC[N@@H+]([C@@H](C(=O)NC3CC3)c3ccc(F)cc3)CC2)cc1 ZINC000502518236 846170936 /nfs/dbraw/zinc/17/09/36/846170936.db2.gz VQVJJIRHAWQALL-JOCHJYFZSA-N 1 2 375.447 3.806 20 30 GHEDLO CC1CC[NH+](Cc2csc(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)n2)CC1 ZINC000280589379 846453305 /nfs/dbraw/zinc/45/33/05/846453305.db2.gz NPSGTNRYBYBXNO-GOSISDBHSA-N 1 2 393.516 3.568 20 30 GHEDLO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000501247972 846780944 /nfs/dbraw/zinc/78/09/44/846780944.db2.gz MCHSLLMWWBMJGH-LJQANCHMSA-N 1 2 389.455 3.707 20 30 GHEDLO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000501247972 846780952 /nfs/dbraw/zinc/78/09/52/846780952.db2.gz MCHSLLMWWBMJGH-LJQANCHMSA-N 1 2 389.455 3.707 20 30 GHEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000511141924 847421515 /nfs/dbraw/zinc/42/15/15/847421515.db2.gz NWKAQMCTXXZRJR-MRXNPFEDSA-N 1 2 376.485 3.866 20 30 GHEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)cc1 ZINC000502505532 847948487 /nfs/dbraw/zinc/94/84/87/847948487.db2.gz DWCNDWMPJIIKMR-UHFFFAOYSA-N 1 2 376.847 3.811 20 30 GHEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)cc1 ZINC000502505532 847948494 /nfs/dbraw/zinc/94/84/94/847948494.db2.gz DWCNDWMPJIIKMR-UHFFFAOYSA-N 1 2 376.847 3.811 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)c(Cl)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000133761301 848718535 /nfs/dbraw/zinc/71/85/35/848718535.db2.gz SFRDZYGCUDLFTG-ROUUACIJSA-N 1 2 375.806 3.665 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)c(Cl)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000133761301 848718540 /nfs/dbraw/zinc/71/85/40/848718540.db2.gz SFRDZYGCUDLFTG-ROUUACIJSA-N 1 2 375.806 3.665 20 30 GHEDLO CC1(C)CC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC[S@@]1=O ZINC000583124392 849120221 /nfs/dbraw/zinc/12/02/21/849120221.db2.gz JPFCVBWGXQEIAD-MHZLTWQESA-N 1 2 382.529 3.870 20 30 GHEDLO CC1(C)CC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC[S@@]1=O ZINC000583124392 849120229 /nfs/dbraw/zinc/12/02/29/849120229.db2.gz JPFCVBWGXQEIAD-MHZLTWQESA-N 1 2 382.529 3.870 20 30 GHEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000247996367 849156209 /nfs/dbraw/zinc/15/62/09/849156209.db2.gz MTCAWCASSDDTIY-UHFFFAOYSA-N 1 2 389.415 3.703 20 30 GHEDLO COc1ccc(C[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)cc1OCCCC#N ZINC000154081749 849182435 /nfs/dbraw/zinc/18/24/35/849182435.db2.gz CXHJJWRROHKZDS-KRWDZBQOSA-N 1 2 391.475 3.809 20 30 GHEDLO C[C@@H](Oc1ccccc1C#N)C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000029781787 862072363 /nfs/dbraw/zinc/07/23/63/862072363.db2.gz NLEBNGRCPKMTAD-OAHLLOKOSA-N 1 2 384.505 3.653 20 30 GHEDLO N#CCCn1cc(C[N@H+]2CCc3ccc(F)c(F)c3C2)c(-c2ccncc2)n1 ZINC000435134088 850117051 /nfs/dbraw/zinc/11/70/51/850117051.db2.gz FYTKZVYJCSEIMN-UHFFFAOYSA-N 1 2 379.414 3.695 20 30 GHEDLO N#CCCn1cc(C[N@@H+]2CCc3ccc(F)c(F)c3C2)c(-c2ccncc2)n1 ZINC000435134088 850117065 /nfs/dbraw/zinc/11/70/65/850117065.db2.gz FYTKZVYJCSEIMN-UHFFFAOYSA-N 1 2 379.414 3.695 20 30 GHEDLO N#Cc1cccc(C2(c3nc(-c4cccc(C[NH+]5CCOCC5)c4)no3)CC2)c1 ZINC000435241590 850279435 /nfs/dbraw/zinc/27/94/35/850279435.db2.gz HCMUTHDGIWRELD-UHFFFAOYSA-N 1 2 386.455 3.520 20 30 GHEDLO C=CCn1cc(C[NH2+][C@@H](c2ccc(OC)cc2Br)C(C)C)nn1 ZINC000424295094 850339552 /nfs/dbraw/zinc/33/95/52/850339552.db2.gz MEDLBXOFHKDZMX-QGZVFWFLSA-N 1 2 379.302 3.722 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000909285396 850688888 /nfs/dbraw/zinc/68/88/88/850688888.db2.gz JFNMYERWBPEMCE-SFHVURJKSA-N 1 2 382.512 3.572 20 30 GHEDLO Cc1oc(C#N)cc1C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000436067081 851165709 /nfs/dbraw/zinc/16/57/09/851165709.db2.gz FDEMPRYMXPHAIM-QGZVFWFLSA-N 1 2 375.831 3.819 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[C@H](C#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000425494013 851340214 /nfs/dbraw/zinc/34/02/14/851340214.db2.gz WORXMKCSZZNAOL-BAGBSZHRSA-N 1 2 378.879 3.606 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[C@H](C#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000425494013 851340223 /nfs/dbraw/zinc/34/02/23/851340223.db2.gz WORXMKCSZZNAOL-BAGBSZHRSA-N 1 2 378.879 3.606 20 30 GHEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000604526379 862270277 /nfs/dbraw/zinc/27/02/77/862270277.db2.gz IXDFWJZFBFGEHZ-UHFFFAOYSA-N 1 2 396.882 3.824 20 30 GHEDLO Cc1cc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c(C#N)cc1N(C)C ZINC000436500672 851969525 /nfs/dbraw/zinc/96/95/25/851969525.db2.gz YNHNEYKBEFQISD-UHFFFAOYSA-N 1 2 392.507 3.640 20 30 GHEDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000329783047 862319662 /nfs/dbraw/zinc/31/96/62/862319662.db2.gz OEEBLBLBCBSIFG-SJORKVTESA-N 1 2 390.553 3.708 20 30 GHEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCOc3ccc(F)cc3C1)CCCC2 ZINC000489181744 852096270 /nfs/dbraw/zinc/09/62/70/852096270.db2.gz JIHRZXUXWCXCLZ-UHFFFAOYSA-N 1 2 399.491 3.861 20 30 GHEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCOc3ccc(F)cc3C1)CCCC2 ZINC000489181744 852096279 /nfs/dbraw/zinc/09/62/79/852096279.db2.gz JIHRZXUXWCXCLZ-UHFFFAOYSA-N 1 2 399.491 3.861 20 30 GHEDLO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000490070080 852748628 /nfs/dbraw/zinc/74/86/28/852748628.db2.gz WCLYGIZJGZXOFS-HXUWFJFHSA-N 1 2 385.895 3.906 20 30 GHEDLO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000490070080 852748638 /nfs/dbraw/zinc/74/86/38/852748638.db2.gz WCLYGIZJGZXOFS-HXUWFJFHSA-N 1 2 385.895 3.906 20 30 GHEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000029227173 852872371 /nfs/dbraw/zinc/87/23/71/852872371.db2.gz HVKANFBSKNFLMQ-UHFFFAOYSA-N 1 2 376.382 3.765 20 30 GHEDLO CSc1cc2c(cc1[NH+]=C([O-])N1CC[C@@H](C)[C@H](n3cc[nH+]c3)C1)OCCO2 ZINC000329896427 862405312 /nfs/dbraw/zinc/40/53/12/862405312.db2.gz KXHQMPMVSDLDJT-UKRRQHHQSA-N 1 2 388.493 3.505 20 30 GHEDLO [O-]C(NC[C@@H]1CCc2[nH+]ccn2C1)=[NH+]CC1(c2c(F)cccc2F)CCCC1 ZINC000329897595 862406519 /nfs/dbraw/zinc/40/65/19/862406519.db2.gz LLUVAPOVSJHKRF-HNNXBMFYSA-N 1 2 388.462 3.739 20 30 GHEDLO [O-]C(NCC1(c2c(F)cccc2F)CCCC1)=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000329897595 862406526 /nfs/dbraw/zinc/40/65/26/862406526.db2.gz LLUVAPOVSJHKRF-HNNXBMFYSA-N 1 2 388.462 3.739 20 30 GHEDLO O=C(Nc1cc(F)ccc1OC[C@H]1CCCO1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329928515 862431232 /nfs/dbraw/zinc/43/12/32/862431232.db2.gz MLFHALBCVKBEAI-MRXNPFEDSA-N 1 2 388.443 3.532 20 30 GHEDLO O=C(NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)N[C@@H]1CCCc2occc21 ZINC000329929226 862432933 /nfs/dbraw/zinc/43/29/33/862432933.db2.gz YPLNGZBYKRWQKM-GRDNDAEWSA-N 1 2 377.485 3.835 20 30 GHEDLO O=C(NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)N[C@@H]1CCCc2occc21 ZINC000329929226 862432936 /nfs/dbraw/zinc/43/29/36/862432936.db2.gz YPLNGZBYKRWQKM-GRDNDAEWSA-N 1 2 377.485 3.835 20 30 GHEDLO C=CCOc1ccc(C[NH+]2CCN(CC(=O)Nc3ccccc3CC)CC2)cc1 ZINC000506059952 853198653 /nfs/dbraw/zinc/19/86/53/853198653.db2.gz NUVAYENDZPTWQQ-UHFFFAOYSA-N 1 2 393.531 3.570 20 30 GHEDLO O=C(C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12)Nc1ccc2c(c1)OCCCO2 ZINC000329941730 862441783 /nfs/dbraw/zinc/44/17/83/862441783.db2.gz VGFQZDIDWGQVJQ-QFIPXVFZSA-N 1 2 380.444 3.567 20 30 GHEDLO O=C(C[N@H+]1CC[C@@]2(C1)OCc1ccccc12)Nc1ccc2c(c1)OCCCO2 ZINC000329941730 862441791 /nfs/dbraw/zinc/44/17/91/862441791.db2.gz VGFQZDIDWGQVJQ-QFIPXVFZSA-N 1 2 380.444 3.567 20 30 GHEDLO CC1CC[NH+](Cc2csc(NC(=O)c3coc(C4CCOCC4)n3)n2)CC1 ZINC000329970774 862469522 /nfs/dbraw/zinc/46/95/22/862469522.db2.gz VEEBWXKDUHALJL-UHFFFAOYSA-N 1 2 390.509 3.893 20 30 GHEDLO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000441017883 853835963 /nfs/dbraw/zinc/83/59/63/853835963.db2.gz SCCBSJWZHARCPT-FQEVSTJZSA-N 1 2 377.488 3.677 20 30 GHEDLO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000441017883 853835970 /nfs/dbraw/zinc/83/59/70/853835970.db2.gz SCCBSJWZHARCPT-FQEVSTJZSA-N 1 2 377.488 3.677 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccccc2I)nc1 ZINC000571698976 853991349 /nfs/dbraw/zinc/99/13/49/853991349.db2.gz VSYXHIPMXKPERW-QGZVFWFLSA-N 1 2 389.240 3.895 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccccc2I)nc1 ZINC000571698976 853991353 /nfs/dbraw/zinc/99/13/53/853991353.db2.gz VSYXHIPMXKPERW-QGZVFWFLSA-N 1 2 389.240 3.895 20 30 GHEDLO Cc1cc(C#N)cc(N2CC[NH+]([C@@H](C)c3ccc(Br)cc3)CC2)n1 ZINC000587986301 854058168 /nfs/dbraw/zinc/05/81/68/854058168.db2.gz HRYGQHATKZYYDT-HNNXBMFYSA-N 1 2 385.309 3.907 20 30 GHEDLO Cc1nc([C@@H]2CCCN(C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)C2)sc1C ZINC000328748650 854527060 /nfs/dbraw/zinc/52/70/60/854527060.db2.gz QOJHNYZZXMXWOF-SJORKVTESA-N 1 2 385.537 3.527 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000328952649 854615004 /nfs/dbraw/zinc/61/50/04/854615004.db2.gz CZUSUAQBZOAMIS-YPMHNXCESA-N 1 2 397.504 3.835 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000328952649 854615010 /nfs/dbraw/zinc/61/50/10/854615010.db2.gz CZUSUAQBZOAMIS-YPMHNXCESA-N 1 2 397.504 3.835 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)c2cc(O)cc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000589197244 854743216 /nfs/dbraw/zinc/74/32/16/854743216.db2.gz OVTOUEGBACLIAV-OALUTQOASA-N 1 2 387.842 3.622 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)c2cc(O)cc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000589197244 854743222 /nfs/dbraw/zinc/74/32/22/854743222.db2.gz OVTOUEGBACLIAV-OALUTQOASA-N 1 2 387.842 3.622 20 30 GHEDLO O=C(C[N@@H+]1CCS[C@@H]2COCC[C@@H]21)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000330179691 862637119 /nfs/dbraw/zinc/63/71/19/862637119.db2.gz MQEKTHIMZZDIBS-JKSUJKDBSA-N 1 2 393.509 3.744 20 30 GHEDLO O=C(C[N@H+]1CCS[C@@H]2COCC[C@@H]21)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000330179691 862637128 /nfs/dbraw/zinc/63/71/28/862637128.db2.gz MQEKTHIMZZDIBS-JKSUJKDBSA-N 1 2 393.509 3.744 20 30 GHEDLO O=C(C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1)Nc1nc2c(s1)CCCC2 ZINC000330211255 862665105 /nfs/dbraw/zinc/66/51/05/862665105.db2.gz CYEUYFPWUXRJNY-INIZCTEOSA-N 1 2 393.553 3.660 20 30 GHEDLO CC(C)c1cc(N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)nc(C(C)C)[nH+]1 ZINC000302718157 855916355 /nfs/dbraw/zinc/91/63/55/855916355.db2.gz KFGBOYMBCROTHU-SFHVURJKSA-N 1 2 377.492 3.808 20 30 GHEDLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cc(C#N)ccc2OC(F)F)c1C ZINC000171231429 856055127 /nfs/dbraw/zinc/05/51/27/856055127.db2.gz BEFANQAZEKKQRN-UHFFFAOYSA-N 1 2 390.390 3.844 20 30 GHEDLO N#Cc1ccc(CN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C2CC2)cc1 ZINC000171303099 856083468 /nfs/dbraw/zinc/08/34/68/856083468.db2.gz DHFPJQAVNLQKQF-UHFFFAOYSA-N 1 2 385.471 3.677 20 30 GHEDLO CN(CCC#N)C[C@H](O)C[NH2+][C@@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC000591744903 856237894 /nfs/dbraw/zinc/23/78/94/856237894.db2.gz LODKZFUPMNEBMA-QRWLVFNGSA-N 1 2 393.865 3.504 20 30 GHEDLO C[N@H+](CCC#N)C[C@H](O)CN[C@@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC000591744903 856237915 /nfs/dbraw/zinc/23/79/15/856237915.db2.gz LODKZFUPMNEBMA-QRWLVFNGSA-N 1 2 393.865 3.504 20 30 GHEDLO C[N@@H+](CCC#N)C[C@H](O)CN[C@@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC000591744903 856237923 /nfs/dbraw/zinc/23/79/23/856237923.db2.gz LODKZFUPMNEBMA-QRWLVFNGSA-N 1 2 393.865 3.504 20 30 GHEDLO C#CC[N@@H+](Cc1cccc(C(N)=O)c1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000733195517 862774231 /nfs/dbraw/zinc/77/42/31/862774231.db2.gz PPYNXPBFZJPCHM-GOSISDBHSA-N 1 2 399.288 3.507 20 30 GHEDLO C#CC[N@H+](Cc1cccc(C(N)=O)c1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000733195517 862774240 /nfs/dbraw/zinc/77/42/40/862774240.db2.gz PPYNXPBFZJPCHM-GOSISDBHSA-N 1 2 399.288 3.507 20 30 GHEDLO N#Cc1cnc2c(F)cc(F)cc2c1N1CCC[N@H+](Cc2cscn2)CC1 ZINC000171819556 856276585 /nfs/dbraw/zinc/27/65/85/856276585.db2.gz KVSVCWABVPARQE-UHFFFAOYSA-N 1 2 385.443 3.553 20 30 GHEDLO N#Cc1cnc2c(F)cc(F)cc2c1N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000171819556 856276595 /nfs/dbraw/zinc/27/65/95/856276595.db2.gz KVSVCWABVPARQE-UHFFFAOYSA-N 1 2 385.443 3.553 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(COc2ccccc2)CC1 ZINC000171830013 856278191 /nfs/dbraw/zinc/27/81/91/856278191.db2.gz RGYMCWQXSUJQDU-UHFFFAOYSA-N 1 2 383.879 3.941 20 30 GHEDLO N#Cc1cccc(COc2cccc(C[N@@H+]3CCO[C@H](COCC4CC4)C3)c2)c1 ZINC000485700785 856974900 /nfs/dbraw/zinc/97/49/00/856974900.db2.gz ZWWCHMHDXKFOTD-DEOSSOPVSA-N 1 2 392.499 3.765 20 30 GHEDLO N#Cc1cccc(COc2cccc(C[N@H+]3CCO[C@H](COCC4CC4)C3)c2)c1 ZINC000485700785 856974904 /nfs/dbraw/zinc/97/49/04/856974904.db2.gz ZWWCHMHDXKFOTD-DEOSSOPVSA-N 1 2 392.499 3.765 20 30 GHEDLO CCc1cccc(CC)c1NC(=O)C[N@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000063754361 857051620 /nfs/dbraw/zinc/05/16/20/857051620.db2.gz VPAXOLSWOUTJNW-UHFFFAOYSA-N 1 2 379.504 3.770 20 30 GHEDLO CCc1cccc(CC)c1NC(=O)C[N@@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000063754361 857051623 /nfs/dbraw/zinc/05/16/23/857051623.db2.gz VPAXOLSWOUTJNW-UHFFFAOYSA-N 1 2 379.504 3.770 20 30 GHEDLO CC(C)O[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000593055952 857205219 /nfs/dbraw/zinc/20/52/19/857205219.db2.gz VNYPOIRJNFETPB-IAGOWNOFSA-N 1 2 375.538 3.909 20 30 GHEDLO CC(C)O[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000593055952 857205227 /nfs/dbraw/zinc/20/52/27/857205227.db2.gz VNYPOIRJNFETPB-IAGOWNOFSA-N 1 2 375.538 3.909 20 30 GHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCC1CCC(C#N)CC1 ZINC000282219654 857414080 /nfs/dbraw/zinc/41/40/80/857414080.db2.gz MVWVKQKQIZUCER-UHFFFAOYSA-N 1 2 383.540 3.659 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)NCC2(C#N)CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000593386646 857563845 /nfs/dbraw/zinc/56/38/45/857563845.db2.gz WSXZYDBLDVGJGA-SJORKVTESA-N 1 2 378.879 3.607 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)NCC2(C#N)CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000593386646 857563852 /nfs/dbraw/zinc/56/38/52/857563852.db2.gz WSXZYDBLDVGJGA-SJORKVTESA-N 1 2 378.879 3.607 20 30 GHEDLO C[N@@H+](Cc1cccc(F)c1C#N)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000428247784 857736238 /nfs/dbraw/zinc/73/62/38/857736238.db2.gz AUGBYLUTOMIARR-OAHLLOKOSA-N 1 2 382.357 3.588 20 30 GHEDLO C[N@H+](Cc1cccc(F)c1C#N)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000428247784 857736245 /nfs/dbraw/zinc/73/62/45/857736245.db2.gz AUGBYLUTOMIARR-OAHLLOKOSA-N 1 2 382.357 3.588 20 30 GHEDLO C[C@H](NC(=O)c1ccccc1Sc1ccccc1C#N)[C@H](C)[NH+]1CCOCC1 ZINC000078514485 858072177 /nfs/dbraw/zinc/07/21/77/858072177.db2.gz IEBVCMWXJGYASU-IRXDYDNUSA-N 1 2 395.528 3.548 20 30 GHEDLO C=C(C)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000443200238 858469472 /nfs/dbraw/zinc/46/94/72/858469472.db2.gz FVJFAPPLQHLDHT-UHFFFAOYSA-N 1 2 381.501 3.698 20 30 GHEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)Nc2ccc(OC3CCC3)c(F)c2)CCO1 ZINC000330348263 863031650 /nfs/dbraw/zinc/03/16/50/863031650.db2.gz IOFBEPMBEPWEAW-LIRRHRJNSA-N 1 2 388.443 3.546 20 30 GHEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)C1 ZINC000595609584 858629855 /nfs/dbraw/zinc/62/98/55/858629855.db2.gz MRESXWDGAFBBIJ-NVXWUHKLSA-N 1 2 382.489 3.644 20 30 GHEDLO N#CC[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)C1 ZINC000595609584 858629858 /nfs/dbraw/zinc/62/98/58/858629858.db2.gz MRESXWDGAFBBIJ-NVXWUHKLSA-N 1 2 382.489 3.644 20 30 GHEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)C1 ZINC000595609583 858629916 /nfs/dbraw/zinc/62/99/16/858629916.db2.gz MRESXWDGAFBBIJ-DOTOQJQBSA-N 1 2 382.489 3.644 20 30 GHEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)C1 ZINC000595609583 858629920 /nfs/dbraw/zinc/62/99/20/858629920.db2.gz MRESXWDGAFBBIJ-DOTOQJQBSA-N 1 2 382.489 3.644 20 30 GHEDLO C=CC[N@@H+](Cc1cccc2c(Br)cccc12)[C@H]1CCS(=O)(=O)C1 ZINC000429330221 859049335 /nfs/dbraw/zinc/04/93/35/859049335.db2.gz FKZBXTUSKPQDKN-HNNXBMFYSA-N 1 2 394.334 3.777 20 30 GHEDLO C=CC[N@H+](Cc1cccc2c(Br)cccc12)[C@H]1CCS(=O)(=O)C1 ZINC000429330221 859049340 /nfs/dbraw/zinc/04/93/40/859049340.db2.gz FKZBXTUSKPQDKN-HNNXBMFYSA-N 1 2 394.334 3.777 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2cc(F)c(C#N)c(F)c2)C[C@H](C)O1 ZINC000596826738 859110734 /nfs/dbraw/zinc/11/07/34/859110734.db2.gz BZVOZFXWVIAXNV-OKILXGFUSA-N 1 2 385.414 3.698 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2cc(F)c(C#N)c(F)c2)C[C@H](C)O1 ZINC000596826738 859110739 /nfs/dbraw/zinc/11/07/39/859110739.db2.gz BZVOZFXWVIAXNV-OKILXGFUSA-N 1 2 385.414 3.698 20 30 GHEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(c3cccc(Cl)c3)CC2)cc1 ZINC000483125947 859166640 /nfs/dbraw/zinc/16/66/40/859166640.db2.gz XJDOEMLLACVUJP-UHFFFAOYSA-N 1 2 388.920 3.865 20 30 GHEDLO COc1cc(C#N)cc(Br)c1OC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001126954296 859192996 /nfs/dbraw/zinc/19/29/96/859192996.db2.gz AVBZCIBHEMUDDE-UHFFFAOYSA-N 1 2 386.205 3.505 20 30 GHEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1=S ZINC000840112667 859198424 /nfs/dbraw/zinc/19/84/24/859198424.db2.gz AAUNUPNJUWACGO-OTWHNJEPSA-N 1 2 399.564 3.635 20 30 GHEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1=S ZINC000840112667 859198434 /nfs/dbraw/zinc/19/84/34/859198434.db2.gz AAUNUPNJUWACGO-OTWHNJEPSA-N 1 2 399.564 3.635 20 30 GHEDLO Cc1ccccc1-c1noc([C@H](C)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000466711238 859246402 /nfs/dbraw/zinc/24/64/02/859246402.db2.gz AYQDYSIFXFVIOF-SFHVURJKSA-N 1 2 387.487 3.796 20 30 GHEDLO N#Cc1ccc([C@@H]([NH2+]Cc2ccccc2Oc2cccc(F)c2)C(N)=O)cc1 ZINC000522376272 859255017 /nfs/dbraw/zinc/25/50/17/859255017.db2.gz NKZFOSTXXWVGTO-OAQYLSRUSA-N 1 2 375.403 3.806 20 30 GHEDLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cc1C ZINC000042643465 859299131 /nfs/dbraw/zinc/29/91/31/859299131.db2.gz XNEDMXZVFVWIIC-HXUWFJFHSA-N 1 2 390.531 3.710 20 30 GHEDLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cc1C ZINC000042643465 859299141 /nfs/dbraw/zinc/29/91/41/859299141.db2.gz XNEDMXZVFVWIIC-HXUWFJFHSA-N 1 2 390.531 3.710 20 30 GHEDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)CC1(C#N)CCCCC1 ZINC000597130948 859305763 /nfs/dbraw/zinc/30/57/63/859305763.db2.gz SYONOBJMZNVFQS-HXUWFJFHSA-N 1 2 383.536 3.600 20 30 GHEDLO C=CC[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccncc1 ZINC000764406445 859430839 /nfs/dbraw/zinc/43/08/39/859430839.db2.gz IXABUNHMOIDQQU-SLFFLAALSA-N 1 2 386.446 3.722 20 30 GHEDLO C=CC[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccncc1 ZINC000764406445 859430842 /nfs/dbraw/zinc/43/08/42/859430842.db2.gz IXABUNHMOIDQQU-SLFFLAALSA-N 1 2 386.446 3.722 20 30 GHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cc(F)c(C#N)c(F)c1 ZINC000597320130 859453508 /nfs/dbraw/zinc/45/35/08/859453508.db2.gz QAXFUGCYNAXHOA-UHFFFAOYSA-N 1 2 384.430 3.610 20 30 GHEDLO COC[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(=O)OCc1ccccc1 ZINC001170367526 881428423 /nfs/dbraw/zinc/42/84/23/881428423.db2.gz IUUXGGHQRHLXKB-MHIUNMELSA-N 1 2 392.499 3.739 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)c1C#N ZINC000611346066 859721777 /nfs/dbraw/zinc/72/17/77/859721777.db2.gz LVFQOMSHVAXRFS-UHFFFAOYSA-N 1 2 396.498 3.636 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCCN(c3ccccc3C#N)CC2)c1C#N ZINC000611346066 859721783 /nfs/dbraw/zinc/72/17/83/859721783.db2.gz LVFQOMSHVAXRFS-UHFFFAOYSA-N 1 2 396.498 3.636 20 30 GHEDLO C[C@H]([NH2+][C@H](CO)c1cccc(Cl)c1F)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000499963223 860324457 /nfs/dbraw/zinc/32/44/57/860324457.db2.gz IYLPFWQZCLSWBE-MGPLVRAMSA-N 1 2 396.249 3.654 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](c3ccc4cccnc4n3)C2)c(C#N)c1C ZINC000602889937 860345997 /nfs/dbraw/zinc/34/59/97/860345997.db2.gz XHMCOMYDCQBAGK-RHSMWYFYSA-N 1 2 389.459 3.528 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](c3ccc4cccnc4n3)C2)c(C#N)c1C ZINC000602889937 860346005 /nfs/dbraw/zinc/34/60/05/860346005.db2.gz XHMCOMYDCQBAGK-RHSMWYFYSA-N 1 2 389.459 3.528 20 30 GHEDLO CCn1nc(C)c(C[N@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)c1C ZINC000602924144 860371849 /nfs/dbraw/zinc/37/18/49/860371849.db2.gz CZUYDPWPPVMIOI-UHFFFAOYSA-N 1 2 381.524 3.515 20 30 GHEDLO CCn1nc(C)c(C[N@@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)c1C ZINC000602924144 860371852 /nfs/dbraw/zinc/37/18/52/860371852.db2.gz CZUYDPWPPVMIOI-UHFFFAOYSA-N 1 2 381.524 3.515 20 30 GHEDLO COc1ccc(C[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])[C@@H](C)CCCO)cc1 ZINC000602966771 860398401 /nfs/dbraw/zinc/39/84/01/860398401.db2.gz QUEBBFCSXLPGJD-INIZCTEOSA-N 1 2 383.448 3.638 20 30 GHEDLO COc1ccc(C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])[C@@H](C)CCCO)cc1 ZINC000602966771 860398408 /nfs/dbraw/zinc/39/84/08/860398408.db2.gz QUEBBFCSXLPGJD-INIZCTEOSA-N 1 2 383.448 3.638 20 30 GHEDLO CN(CC[N@H+](C)Cc1cc(Br)ccc1C#N)C(=O)OC(C)(C)C ZINC001141893848 860772126 /nfs/dbraw/zinc/77/21/26/860772126.db2.gz CCGMUSRPHBRPCX-UHFFFAOYSA-N 1 2 382.302 3.619 20 30 GHEDLO CN(CC[N@@H+](C)Cc1cc(Br)ccc1C#N)C(=O)OC(C)(C)C ZINC001141893848 860772131 /nfs/dbraw/zinc/77/21/31/860772131.db2.gz CCGMUSRPHBRPCX-UHFFFAOYSA-N 1 2 382.302 3.619 20 30 GHEDLO N#Cc1cc(Br)cnc1N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000599178875 860911631 /nfs/dbraw/zinc/91/16/31/860911631.db2.gz LUSXIGRMARGSNM-UHFFFAOYSA-N 1 2 396.292 3.519 20 30 GHEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@H](c3ccsc3)C2)cc1Cl ZINC000126298983 861014793 /nfs/dbraw/zinc/01/47/93/861014793.db2.gz WXBTVPNGDSAVKX-KRWDZBQOSA-N 1 2 375.881 3.675 20 30 GHEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@H](c3ccsc3)C2)cc1Cl ZINC000126298983 861014809 /nfs/dbraw/zinc/01/48/09/861014809.db2.gz WXBTVPNGDSAVKX-KRWDZBQOSA-N 1 2 375.881 3.675 20 30 GHEDLO O=[N+]([O-])c1cc(C=[NH+]Nc2cnnc3ccccc32)ccc1N1CCCCC1 ZINC000733750096 863143693 /nfs/dbraw/zinc/14/36/93/863143693.db2.gz MBYMSTVNYDLJRY-UHFFFAOYSA-N 1 2 376.420 3.974 20 30 GHEDLO CC[C@@H](NC(=S)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccs1 ZINC000734369543 864180223 /nfs/dbraw/zinc/18/02/23/864180223.db2.gz CSJNOPVLKKNVNU-GOSISDBHSA-N 1 2 384.574 3.763 20 30 GHEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)nc1C1CC1 ZINC000172970197 864203025 /nfs/dbraw/zinc/20/30/25/864203025.db2.gz WAFKAOJLSMVWNL-GOSISDBHSA-N 1 2 384.549 3.974 20 30 GHEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)nc1C1CC1 ZINC000172970197 864203037 /nfs/dbraw/zinc/20/30/37/864203037.db2.gz WAFKAOJLSMVWNL-GOSISDBHSA-N 1 2 384.549 3.974 20 30 GHEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000567311590 864387954 /nfs/dbraw/zinc/38/79/54/864387954.db2.gz KMROLLOSPPTSKU-HNQUOIGGSA-N 1 2 396.397 3.920 20 30 GHEDLO CC[N@H+](Cc1cc(Cl)ccc1OCC#N)[C@H]1CCN(c2ccccc2)C1=O ZINC000735309003 864715417 /nfs/dbraw/zinc/71/54/17/864715417.db2.gz BRDVPQKBASUKKD-IBGZPJMESA-N 1 2 383.879 3.870 20 30 GHEDLO CC[N@@H+](Cc1cc(Cl)ccc1OCC#N)[C@H]1CCN(c2ccccc2)C1=O ZINC000735309003 864715424 /nfs/dbraw/zinc/71/54/24/864715424.db2.gz BRDVPQKBASUKKD-IBGZPJMESA-N 1 2 383.879 3.870 20 30 GHEDLO COC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)c1ccco1 ZINC000184579651 864718889 /nfs/dbraw/zinc/71/88/89/864718889.db2.gz NPSPQIUBURBRDZ-LJQANCHMSA-N 1 2 398.507 3.991 20 30 GHEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCO[C@@H](c3ccccc3)C1)CCC2 ZINC000025949103 864837922 /nfs/dbraw/zinc/83/79/22/864837922.db2.gz HKQXGCYIUFEZLS-GOSISDBHSA-N 1 2 381.501 3.511 20 30 GHEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCO[C@@H](c3ccccc3)C1)CCC2 ZINC000025949103 864837936 /nfs/dbraw/zinc/83/79/36/864837936.db2.gz HKQXGCYIUFEZLS-GOSISDBHSA-N 1 2 381.501 3.511 20 30 GHEDLO CC[C@@H](NC(=O)C[N@H+](CCOC)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000063753927 865303067 /nfs/dbraw/zinc/30/30/67/865303067.db2.gz SXHCCMHSRNBIHN-OAQYLSRUSA-N 1 2 399.922 3.928 20 30 GHEDLO CC[C@@H](NC(=O)C[N@@H+](CCOC)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000063753927 865303082 /nfs/dbraw/zinc/30/30/82/865303082.db2.gz SXHCCMHSRNBIHN-OAQYLSRUSA-N 1 2 399.922 3.928 20 30 GHEDLO N#Cc1ccccc1Oc1ccc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000428343821 865380838 /nfs/dbraw/zinc/38/08/38/865380838.db2.gz DKPTUANSANJJNF-MRXNPFEDSA-N 1 2 392.846 3.945 20 30 GHEDLO N#Cc1cccc(OC2CC[NH+]([C@@H]3CCCN(c4ccccc4F)C3=O)CC2)c1 ZINC000487477866 865432283 /nfs/dbraw/zinc/43/22/83/865432283.db2.gz ODDPNLSNKMPYCK-JOCHJYFZSA-N 1 2 393.462 3.736 20 30 GHEDLO Cc1ccc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(-c2cnn(C)c2)c1 ZINC000555326689 865898005 /nfs/dbraw/zinc/89/80/05/865898005.db2.gz IOLSTFXZFFSTGH-UHFFFAOYSA-N 1 2 399.542 3.975 20 30 GHEDLO Cc1ccc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(-c2cnn(C)c2)c1 ZINC000555326689 865898020 /nfs/dbraw/zinc/89/80/20/865898020.db2.gz IOLSTFXZFFSTGH-UHFFFAOYSA-N 1 2 399.542 3.975 20 30 GHEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000594342781 865902072 /nfs/dbraw/zinc/90/20/72/865902072.db2.gz JYQGNQIRYPNDRX-MRXNPFEDSA-N 1 2 381.907 3.565 20 30 GHEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000594342781 865902081 /nfs/dbraw/zinc/90/20/81/865902081.db2.gz JYQGNQIRYPNDRX-MRXNPFEDSA-N 1 2 381.907 3.565 20 30 GHEDLO C=CCCOCC(=O)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000620185482 866481994 /nfs/dbraw/zinc/48/19/94/866481994.db2.gz SZXCLLRRXLMGCG-UHFFFAOYSA-N 1 2 388.508 3.791 20 30 GHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000475610223 867039950 /nfs/dbraw/zinc/03/99/50/867039950.db2.gz UHKCOXHKDODQTM-UHFFFAOYSA-N 1 2 392.312 3.735 20 30 GHEDLO C=CC[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccc(OC)cc1 ZINC000920411196 882087989 /nfs/dbraw/zinc/08/79/89/882087989.db2.gz RTHMTRYOEORVIN-UHFFFAOYSA-N 1 2 389.839 3.884 20 30 GHEDLO C=CC[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccc(OC)cc1 ZINC000920411196 882088006 /nfs/dbraw/zinc/08/80/06/882088006.db2.gz RTHMTRYOEORVIN-UHFFFAOYSA-N 1 2 389.839 3.884 20 30 GHEDLO COc1cc(OC)c2ncc(C#N)c(NC[C@H]3CCCn4cc(C)[nH+]c43)c2c1 ZINC000553494376 867507482 /nfs/dbraw/zinc/50/74/82/867507482.db2.gz GWKZRHONKILDIR-CQSZACIVSA-N 1 2 377.448 3.618 20 30 GHEDLO CC[N@H+](Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)[C@H](C)c1cccc(C#N)c1 ZINC000442689270 867884415 /nfs/dbraw/zinc/88/44/15/867884415.db2.gz GLKWCGPKEOKIPZ-CQSZACIVSA-N 1 2 392.459 3.807 20 30 GHEDLO CC[N@@H+](Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)[C@H](C)c1cccc(C#N)c1 ZINC000442689270 867884420 /nfs/dbraw/zinc/88/44/20/867884420.db2.gz GLKWCGPKEOKIPZ-CQSZACIVSA-N 1 2 392.459 3.807 20 30 GHEDLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(CC#N)cc1 ZINC000535434630 868760619 /nfs/dbraw/zinc/76/06/19/868760619.db2.gz DDCZIFKXOKVBNK-JPYJTQIMSA-N 1 2 390.531 3.829 20 30 GHEDLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(CC#N)cc1 ZINC000535434630 868760624 /nfs/dbraw/zinc/76/06/24/868760624.db2.gz DDCZIFKXOKVBNK-JPYJTQIMSA-N 1 2 390.531 3.829 20 30 GHEDLO CC[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cc(F)ccc1F ZINC000524927566 869763135 /nfs/dbraw/zinc/76/31/35/869763135.db2.gz ZWBTTZDYIGLZSE-NRFANRHFSA-N 1 2 398.457 3.815 20 30 GHEDLO C=CC[C@@H](NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccncc1 ZINC000745828287 869850548 /nfs/dbraw/zinc/85/05/48/869850548.db2.gz RDPXWWJNMFHFFS-WOJBJXKFSA-N 1 2 375.476 3.716 20 30 GHEDLO CN(C(=O)CO[NH+]=C(N)c1ccc(OCc2ccccc2)cc1)c1ccccc1 ZINC000920767618 882369075 /nfs/dbraw/zinc/36/90/75/882369075.db2.gz CIORKPBEDHEPFU-UHFFFAOYSA-N 1 2 389.455 3.566 20 30 GHEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(Br)c(F)c3)C2)nc1 ZINC000428801511 870359847 /nfs/dbraw/zinc/35/98/47/870359847.db2.gz HUGIGERRMFZRND-CQSZACIVSA-N 1 2 376.229 3.508 20 30 GHEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(Br)c(F)c3)C2)nc1 ZINC000428801511 870359857 /nfs/dbraw/zinc/35/98/57/870359857.db2.gz HUGIGERRMFZRND-CQSZACIVSA-N 1 2 376.229 3.508 20 30 GHEDLO CC[C@@]1(CO)CCC[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000249550711 870860985 /nfs/dbraw/zinc/86/09/85/870860985.db2.gz HVYATUWEYJRFIC-OXQOHEQNSA-N 1 2 375.538 3.504 20 30 GHEDLO CC[C@@]1(CO)CCC[N@@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000249550711 870860992 /nfs/dbraw/zinc/86/09/92/870860992.db2.gz HVYATUWEYJRFIC-OXQOHEQNSA-N 1 2 375.538 3.504 20 30 GHEDLO N#Cc1c2c(cn(C[N@@H+](Cc3ccccc3C(F)(F)F)C3CC3)c1=O)CCC2 ZINC000766612617 871277684 /nfs/dbraw/zinc/27/76/84/871277684.db2.gz PLQYSQCJLHHRLW-UHFFFAOYSA-N 1 2 387.405 3.850 20 30 GHEDLO N#Cc1c2c(cn(C[N@H+](Cc3ccccc3C(F)(F)F)C3CC3)c1=O)CCC2 ZINC000766612617 871277694 /nfs/dbraw/zinc/27/76/94/871277694.db2.gz PLQYSQCJLHHRLW-UHFFFAOYSA-N 1 2 387.405 3.850 20 30 GHEDLO COc1ccc(C[NH+]2CCN(C)CC2)cc1N[C@](C)(C#N)c1ccccc1Cl ZINC001169390740 871463314 /nfs/dbraw/zinc/46/33/14/871463314.db2.gz MIAVJRNYDXDFNF-JOCHJYFZSA-N 1 2 398.938 3.947 20 30 GHEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3csc(CCc4ccccc4)n3)C2)nc1 ZINC000428810845 871553171 /nfs/dbraw/zinc/55/31/71/871553171.db2.gz YTXCMRUZTPNHRT-FQEVSTJZSA-N 1 2 390.512 3.848 20 30 GHEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3csc(CCc4ccccc4)n3)C2)nc1 ZINC000428810845 871553174 /nfs/dbraw/zinc/55/31/74/871553174.db2.gz YTXCMRUZTPNHRT-FQEVSTJZSA-N 1 2 390.512 3.848 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCC(Oc3ncccc3F)CC2)c(Br)c1 ZINC000618554701 871713802 /nfs/dbraw/zinc/71/38/02/871713802.db2.gz QLBQZYZQFLKBEN-UHFFFAOYSA-N 1 2 390.256 3.898 20 30 GHEDLO CCCCCCCCCOC(=O)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001194911550 872028382 /nfs/dbraw/zinc/02/83/82/872028382.db2.gz OVWAVTTWLACWJJ-UHFFFAOYSA-N 1 2 388.516 3.616 20 30 GHEDLO C#CC[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000763545927 872515975 /nfs/dbraw/zinc/51/59/75/872515975.db2.gz JMZIKJSEIQUKMN-PWRODBHTSA-N 1 2 383.442 3.774 20 30 GHEDLO C#CC[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000763545927 872515987 /nfs/dbraw/zinc/51/59/87/872515987.db2.gz JMZIKJSEIQUKMN-PWRODBHTSA-N 1 2 383.442 3.774 20 30 GHEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)C2 ZINC000527248346 872868729 /nfs/dbraw/zinc/86/87/29/872868729.db2.gz XEJDDBZZZYVQFH-LQWHRVPQSA-N 1 2 376.504 3.936 20 30 GHEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)CC2 ZINC000527248346 872868743 /nfs/dbraw/zinc/86/87/43/872868743.db2.gz XEJDDBZZZYVQFH-LQWHRVPQSA-N 1 2 376.504 3.936 20 30 GHEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)C2 ZINC000527248345 872869063 /nfs/dbraw/zinc/86/90/63/872869063.db2.gz XEJDDBZZZYVQFH-DBXWQHBBSA-N 1 2 376.504 3.936 20 30 GHEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)CC2 ZINC000527248345 872869075 /nfs/dbraw/zinc/86/90/75/872869075.db2.gz XEJDDBZZZYVQFH-DBXWQHBBSA-N 1 2 376.504 3.936 20 30 GHEDLO Cn1c[nH+]c(CCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)c1 ZINC001196162746 872922055 /nfs/dbraw/zinc/92/20/55/872922055.db2.gz XNKPZLJLSSOLPY-UHFFFAOYSA-N 1 2 376.485 3.557 20 30 GHEDLO C[C@H](CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1c[nH]c2ccccc21 ZINC000491307648 872944008 /nfs/dbraw/zinc/94/40/08/872944008.db2.gz GITGGKSRWOPKCT-GOSISDBHSA-N 1 2 386.499 3.878 20 30 GHEDLO Cc1cc(Br)cc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1O ZINC000775745606 873419849 /nfs/dbraw/zinc/41/98/49/873419849.db2.gz YJHNELSZDPUPAT-SFHVURJKSA-N 1 2 387.277 3.908 20 30 GHEDLO Cc1cc(Br)cc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1O ZINC000775745606 873419855 /nfs/dbraw/zinc/41/98/55/873419855.db2.gz YJHNELSZDPUPAT-SFHVURJKSA-N 1 2 387.277 3.908 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(OC(F)F)c(Cl)c2)c1 ZINC000768916317 873685027 /nfs/dbraw/zinc/68/50/27/873685027.db2.gz ZGQNIXZMULHDQX-UHFFFAOYSA-N 1 2 378.806 3.993 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(OC(F)F)c(Cl)c2)c1 ZINC000768916317 873685031 /nfs/dbraw/zinc/68/50/31/873685031.db2.gz ZGQNIXZMULHDQX-UHFFFAOYSA-N 1 2 378.806 3.993 20 30 GHEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCO[C@H](c3ccc(F)cc3)C1)CCC2 ZINC000023186576 873876817 /nfs/dbraw/zinc/87/68/17/873876817.db2.gz NSRVBWMUJZSNLR-SFHVURJKSA-N 1 2 399.491 3.650 20 30 GHEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCO[C@H](c3ccc(F)cc3)C1)CCC2 ZINC000023186576 873876830 /nfs/dbraw/zinc/87/68/30/873876830.db2.gz NSRVBWMUJZSNLR-SFHVURJKSA-N 1 2 399.491 3.650 20 30 GHEDLO Cn1c(C#N)ccc1C(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000448948524 874243573 /nfs/dbraw/zinc/24/35/73/874243573.db2.gz DRERCMOPCFJVLH-UHFFFAOYSA-N 1 2 399.857 3.618 20 30 GHEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(SC(F)(F)F)cc1 ZINC000770307534 874589751 /nfs/dbraw/zinc/58/97/51/874589751.db2.gz YNPFQNZTHZZGPB-CYBMUJFWSA-N 1 2 393.438 3.671 20 30 GHEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(SC(F)(F)F)cc1 ZINC000770307534 874589760 /nfs/dbraw/zinc/58/97/60/874589760.db2.gz YNPFQNZTHZZGPB-CYBMUJFWSA-N 1 2 393.438 3.671 20 30 GHEDLO Cc1nc(NCCSCc2csc(C[NH+](C)C)n2)c(C#N)c(C)c1C ZINC001168107651 874591603 /nfs/dbraw/zinc/59/16/03/874591603.db2.gz TZILFZWUOQWTEL-UHFFFAOYSA-N 1 2 375.567 3.742 20 30 GHEDLO CCOC(=O)c1c(CC(C)C)csc1NC(=O)C[NH+]1CCC(CC#N)CC1 ZINC000541947911 874609831 /nfs/dbraw/zinc/60/98/31/874609831.db2.gz CDZMIMVGIYPDKI-UHFFFAOYSA-N 1 2 391.537 3.687 20 30 GHEDLO COc1ccc(CNc2ccc(-c3cnn(C)c3)c(C)[nH+]2)cc1OCCCC#N ZINC000449345743 874736063 /nfs/dbraw/zinc/73/60/63/874736063.db2.gz JNOSFQWTZRQUMV-UHFFFAOYSA-N 1 2 391.475 3.516 20 30 GHEDLO N#Cc1ccc(-c2nnc(C[NH+]3CCC(Oc4cccc(F)c4)CC3)o2)cc1 ZINC000528574164 874758073 /nfs/dbraw/zinc/75/80/73/874758073.db2.gz JVKVUMGANAVTQU-UHFFFAOYSA-N 1 2 378.407 3.791 20 30 GHEDLO S=C1N=NC(c2ccccc2Br)N1N=Cc1cccc2[nH+]ccn21 ZINC000771099142 875039020 /nfs/dbraw/zinc/03/90/20/875039020.db2.gz XBNOVEUQRCUMEQ-UHFFFAOYSA-N 1 2 399.277 3.526 20 30 GHEDLO CSc1ccc(/C=C/C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000858154214 882892203 /nfs/dbraw/zinc/89/22/03/882892203.db2.gz AMQFHNNWJHGWNM-SOFGYWHQSA-N 1 2 383.542 3.699 20 30 GHEDLO COCc1ccc(NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1C#N ZINC000529211835 875836202 /nfs/dbraw/zinc/83/62/02/875836202.db2.gz IZBDXOYOTUYQHJ-UHFFFAOYSA-N 1 2 381.480 3.625 20 30 GHEDLO N#Cc1ccc(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(Cl)c1 ZINC000785958454 876365502 /nfs/dbraw/zinc/36/55/02/876365502.db2.gz QMBOEXAJVPLPSC-UHFFFAOYSA-N 1 2 382.763 3.663 20 30 GHEDLO CCO[C@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC000610002244 877275912 /nfs/dbraw/zinc/27/59/12/877275912.db2.gz STSKCPVMADMPNW-IBGZPJMESA-N 1 2 386.540 3.921 20 30 GHEDLO CCO[C@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC000610002244 877275925 /nfs/dbraw/zinc/27/59/25/877275925.db2.gz STSKCPVMADMPNW-IBGZPJMESA-N 1 2 386.540 3.921 20 30 GHEDLO COc1ccc(CNC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)cc1C#N ZINC000746667576 877312754 /nfs/dbraw/zinc/31/27/54/877312754.db2.gz AULBJFYQGLNLBM-AWEZNQCLSA-N 1 2 399.520 3.577 20 30 GHEDLO COc1ccc(CNC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)cc1C#N ZINC000746667576 877312773 /nfs/dbraw/zinc/31/27/73/877312773.db2.gz AULBJFYQGLNLBM-AWEZNQCLSA-N 1 2 399.520 3.577 20 30 GHEDLO N#Cc1cc(Br)ccc1C[N@@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000451205592 877573048 /nfs/dbraw/zinc/57/30/48/877573048.db2.gz CHOWXAJOXQWSRG-UHFFFAOYSA-N 1 2 384.277 3.584 20 30 GHEDLO N#Cc1cc(Br)ccc1C[N@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000451205592 877573056 /nfs/dbraw/zinc/57/30/56/877573056.db2.gz CHOWXAJOXQWSRG-UHFFFAOYSA-N 1 2 384.277 3.584 20 30 GHEDLO N#Cc1ncc(Br)cc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000787888577 877689178 /nfs/dbraw/zinc/68/91/78/877689178.db2.gz AIYTZTOXJVJYRC-UHFFFAOYSA-N 1 2 391.700 3.691 20 30 GHEDLO C[C@H](NC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)c1cccc(C#N)c1 ZINC000615504561 877803303 /nfs/dbraw/zinc/80/33/03/877803303.db2.gz JHWSQDKIUMHNNX-HNNXBMFYSA-N 1 2 382.895 3.630 20 30 GHEDLO C[C@H](NC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)c1cccc(C#N)c1 ZINC000615504561 877803316 /nfs/dbraw/zinc/80/33/16/877803316.db2.gz JHWSQDKIUMHNNX-HNNXBMFYSA-N 1 2 382.895 3.630 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](Cc3c(Cl)cccc3N3CCCC3)CC2)nc1 ZINC000179672445 877841411 /nfs/dbraw/zinc/84/14/11/877841411.db2.gz BRKPPCHJHXQPKJ-UHFFFAOYSA-N 1 2 381.911 3.529 20 30 GHEDLO C#CCOc1cccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000788290977 877999037 /nfs/dbraw/zinc/99/90/37/877999037.db2.gz KROSNZCBUHQCIZ-PMACEKPBSA-N 1 2 385.414 3.544 20 30 GHEDLO C#CCOc1cccc(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000788290977 877999052 /nfs/dbraw/zinc/99/90/52/877999052.db2.gz KROSNZCBUHQCIZ-PMACEKPBSA-N 1 2 385.414 3.544 20 30 GHEDLO CC[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(OC)c(OC)c1 ZINC000285510769 912319475 /nfs/dbraw/zinc/31/94/75/912319475.db2.gz QXHJMNSBWHMTHF-KRWDZBQOSA-N 1 2 378.432 3.866 20 30 GHEDLO C[C@@H](C#N)Oc1ccc(C[NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000179933717 878223730 /nfs/dbraw/zinc/22/37/30/878223730.db2.gz BDYSJZPDPAURKA-INIZCTEOSA-N 1 2 383.879 3.589 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000451658490 878305203 /nfs/dbraw/zinc/30/52/03/878305203.db2.gz XSVWJTHNEZAOQW-RHSMWYFYSA-N 1 2 375.563 3.704 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCSC[C@@H]1C1CC1 ZINC000451658490 878305216 /nfs/dbraw/zinc/30/52/16/878305216.db2.gz XSVWJTHNEZAOQW-RHSMWYFYSA-N 1 2 375.563 3.704 20 30 GHEDLO C#CCCCOc1ccc[nH+]c1NC1CCN(C(=O)CCc2ccccc2)CC1 ZINC000853172261 878869359 /nfs/dbraw/zinc/86/93/59/878869359.db2.gz ZQMCJSBVNWAFCS-UHFFFAOYSA-N 1 2 391.515 3.910 20 30 GHEDLO COC(=O)c1cccc(N[NH+]=C(C)c2c(F)cccc2N2CCOCC2)c1C ZINC000853397916 879003819 /nfs/dbraw/zinc/00/38/19/879003819.db2.gz MTXPIQUKXWOXES-UHFFFAOYSA-N 1 2 385.439 3.593 20 30 GHEDLO C#CCCCOc1ccc[nH+]c1NCCC(=O)Nc1cc(Cl)ccc1OC ZINC000853401593 879005014 /nfs/dbraw/zinc/00/50/14/879005014.db2.gz WAPUVNIFOWYYSB-UHFFFAOYSA-N 1 2 387.867 3.977 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)ccc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000285754720 912421208 /nfs/dbraw/zinc/42/12/08/912421208.db2.gz IDOPGRVZGQUWCN-QZTJIDSGSA-N 1 2 375.806 3.665 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)ccc2Cl)[C@H]1c1ccc(F)c(F)c1 ZINC000285754720 912421212 /nfs/dbraw/zinc/42/12/12/912421212.db2.gz IDOPGRVZGQUWCN-QZTJIDSGSA-N 1 2 375.806 3.665 20 30 GHEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@@H]2CCC3(CCCCC3)O2)CC1=O ZINC000790104918 879471321 /nfs/dbraw/zinc/47/13/21/879471321.db2.gz YSZBNLHEFXYQGY-INIZCTEOSA-N 1 2 394.519 3.528 20 30 GHEDLO COc1ccccc1-c1ccnc(C2CC[NH+](C[C@@H](C#N)CCC#N)CC2)n1 ZINC000854096873 879526010 /nfs/dbraw/zinc/52/60/10/879526010.db2.gz VALUITVJSJVVBO-QGZVFWFLSA-N 1 2 375.476 3.775 20 30 GHEDLO Cc1cc(S(=O)(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)ccc1C#N ZINC000790425077 879706115 /nfs/dbraw/zinc/70/61/15/879706115.db2.gz XOFOTNJXYYOQIL-UHFFFAOYSA-N 1 2 393.468 3.834 20 30 GHEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+](CCOC)[C@H]2CC[C@@H](C)C2)c1=S ZINC000790482208 879754312 /nfs/dbraw/zinc/75/43/12/879754312.db2.gz ZYFQUZOTBMBHLG-AEFFLSMTSA-N 1 2 387.553 3.757 20 30 GHEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+](CCOC)[C@H]2CC[C@@H](C)C2)c1=S ZINC000790482208 879754322 /nfs/dbraw/zinc/75/43/22/879754322.db2.gz ZYFQUZOTBMBHLG-AEFFLSMTSA-N 1 2 387.553 3.757 20 30 GHEDLO Cc1cc(C)c2ncc(C#N)c(NC[C@H](c3cccs3)[NH+]3CCOCC3)c2c1 ZINC000461463244 879881148 /nfs/dbraw/zinc/88/11/48/879881148.db2.gz LEMKXPRXIWJOSB-LJQANCHMSA-N 1 2 392.528 3.692 20 30 GHEDLO C=CCC1(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)CCC1 ZINC000790956899 880100838 /nfs/dbraw/zinc/10/08/38/880100838.db2.gz WKRZZMOVFWNRAN-UHFFFAOYSA-N 1 2 392.341 3.886 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1c(Cl)cccc1Cl)C2 ZINC001275206915 912617765 /nfs/dbraw/zinc/61/77/65/912617765.db2.gz IOQNMJONASEYCH-IBGZPJMESA-N 1 2 383.319 3.620 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1c(Cl)cccc1Cl)C2 ZINC001275206915 912617772 /nfs/dbraw/zinc/61/77/72/912617772.db2.gz IOQNMJONASEYCH-IBGZPJMESA-N 1 2 383.319 3.620 20 30 GHEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+](C)C2Cc3ccccc3C2)c1=S ZINC000919950720 881239878 /nfs/dbraw/zinc/23/98/78/881239878.db2.gz QRCFLGIOHISQJQ-UHFFFAOYSA-N 1 2 377.517 3.719 20 30 GHEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+](C)C2Cc3ccccc3C2)c1=S ZINC000919950720 881239888 /nfs/dbraw/zinc/23/98/88/881239888.db2.gz QRCFLGIOHISQJQ-UHFFFAOYSA-N 1 2 377.517 3.719 20 30 GHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@](C)(C#N)CCc1ccccc1 ZINC000475754923 883219008 /nfs/dbraw/zinc/21/90/08/883219008.db2.gz KEFQCDGFYYVTPS-OAQYLSRUSA-N 1 2 382.414 3.654 20 30 GHEDLO N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)cn2)c1 ZINC000609553823 883366390 /nfs/dbraw/zinc/36/63/90/883366390.db2.gz KLFAOCGVZMETAU-INIZCTEOSA-N 1 2 388.431 3.880 20 30 GHEDLO N#Cc1ccccc1OCc1cccc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000609629823 883487363 /nfs/dbraw/zinc/48/73/63/883487363.db2.gz HYXWHFBCMJSBMF-OAQYLSRUSA-N 1 2 386.455 3.811 20 30 GHEDLO CCCCOc1ccc([C@H](C)[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cc1OC ZINC000609676607 883532136 /nfs/dbraw/zinc/53/21/36/883532136.db2.gz UDGNMGBITJDMLC-BTYIYWSLSA-N 1 2 381.476 3.623 20 30 GHEDLO CC(C)OCc1cccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000064533985 883607105 /nfs/dbraw/zinc/60/71/05/883607105.db2.gz NQXAEZUJUDFWKW-UHFFFAOYSA-N 1 2 392.503 3.833 20 30 GHEDLO N#Cc1ccc(Cl)c(C[N@H+]2CCC[C@@]23CCN(CCC(F)(F)F)C3=O)c1 ZINC001275233943 912769526 /nfs/dbraw/zinc/76/95/26/912769526.db2.gz HHSJFSPRCWMKIW-KRWDZBQOSA-N 1 2 385.817 3.731 20 30 GHEDLO N#Cc1ccc(Cl)c(C[N@@H+]2CCC[C@@]23CCN(CCC(F)(F)F)C3=O)c1 ZINC001275233943 912769539 /nfs/dbraw/zinc/76/95/39/912769539.db2.gz HHSJFSPRCWMKIW-KRWDZBQOSA-N 1 2 385.817 3.731 20 30 GHEDLO C#CCOc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000189865215 884012377 /nfs/dbraw/zinc/01/23/77/884012377.db2.gz VRFUXCYYGFZJMU-QUCCMNQESA-N 1 2 385.414 3.544 20 30 GHEDLO C#CCOc1ccccc1NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000189865215 884012391 /nfs/dbraw/zinc/01/23/91/884012391.db2.gz VRFUXCYYGFZJMU-QUCCMNQESA-N 1 2 385.414 3.544 20 30 GHEDLO CCOc1ccc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)cc1F ZINC000494940731 884252940 /nfs/dbraw/zinc/25/29/40/884252940.db2.gz MTMMWBKDKUCHQU-UHFFFAOYSA-N 1 2 390.462 3.966 20 30 GHEDLO C#CCN(Cc1ccccc1)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000806213180 884455020 /nfs/dbraw/zinc/45/50/20/884455020.db2.gz MFXCPOYRGGEQPV-WOJBJXKFSA-N 1 2 391.515 3.963 20 30 GHEDLO C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)CCC1(F)F ZINC001183828458 912835266 /nfs/dbraw/zinc/83/52/66/912835266.db2.gz HNRDFPNZMJYMCB-VQIMIIECSA-N 1 2 375.463 3.807 20 30 GHEDLO C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)CCC1(F)F ZINC001183828458 912835271 /nfs/dbraw/zinc/83/52/71/912835271.db2.gz HNRDFPNZMJYMCB-VQIMIIECSA-N 1 2 375.463 3.807 20 30 GHEDLO N#Cc1cc2ccccc2nc1N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000747326392 884636927 /nfs/dbraw/zinc/63/69/27/884636927.db2.gz LMIRULAOAVRFKH-UHFFFAOYSA-N 1 2 392.890 3.961 20 30 GHEDLO CCCCOC(=O)c1ccc(NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000914788882 884796860 /nfs/dbraw/zinc/79/68/60/884796860.db2.gz JHEHCVPXXPXFSI-UHFFFAOYSA-N 1 2 379.460 3.586 20 30 GHEDLO CCCCOC(=O)c1ccc(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000914788882 884796871 /nfs/dbraw/zinc/79/68/71/884796871.db2.gz JHEHCVPXXPXFSI-UHFFFAOYSA-N 1 2 379.460 3.586 20 30 GHEDLO CCc1ccc([C@H]([NH2+]Cc2ccc(C#N)o2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000537500847 884869257 /nfs/dbraw/zinc/86/92/57/884869257.db2.gz UTJPHYZQLXYEQP-QFIPXVFZSA-N 1 2 394.496 3.996 20 30 GHEDLO CN(c1ccccc1)C1CC[NH+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000171635662 885185426 /nfs/dbraw/zinc/18/54/26/885185426.db2.gz RPNLIQNPPZZBFQ-UHFFFAOYSA-N 1 2 394.544 3.842 20 30 GHEDLO CC(C)(CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[NH+]1CCOCC1 ZINC000915351456 886390100 /nfs/dbraw/zinc/39/01/00/886390100.db2.gz CHMFBUJVHIKOIM-NRFANRHFSA-N 1 2 392.503 3.574 20 30 GHEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cccc(C(F)(F)F)c1Cl ZINC001275301880 913131053 /nfs/dbraw/zinc/13/10/53/913131053.db2.gz JTURQPMOIFTUMO-SFHVURJKSA-N 1 2 384.829 3.949 20 30 GHEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(C(F)(F)F)c1Cl ZINC001275301880 913131058 /nfs/dbraw/zinc/13/10/58/913131058.db2.gz JTURQPMOIFTUMO-SFHVURJKSA-N 1 2 384.829 3.949 20 30 GHEDLO C[NH+](C)Cc1cnc(/C=C2\Oc3cc(F)c(Br)cc3C2=O)s1 ZINC000794713202 887961144 /nfs/dbraw/zinc/96/11/44/887961144.db2.gz LGCKTFRPVLCVNE-ACAGNQJTSA-N 1 2 383.242 3.723 20 30 GHEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000609234105 888099854 /nfs/dbraw/zinc/09/98/54/888099854.db2.gz PORGECZWFYCBRJ-LJQANCHMSA-N 1 2 381.501 3.704 20 30 GHEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000609234105 888099870 /nfs/dbraw/zinc/09/98/70/888099870.db2.gz PORGECZWFYCBRJ-LJQANCHMSA-N 1 2 381.501 3.704 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1C ZINC000810092479 888185324 /nfs/dbraw/zinc/18/53/24/888185324.db2.gz BUIMKWIWBBKJBH-UNMCSNQZSA-N 1 2 381.520 3.584 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1C ZINC000810092479 888185330 /nfs/dbraw/zinc/18/53/30/888185330.db2.gz BUIMKWIWBBKJBH-UNMCSNQZSA-N 1 2 381.520 3.584 20 30 GHEDLO C[C@H]([NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cccc(C#N)c1O ZINC000866234258 888789905 /nfs/dbraw/zinc/78/99/05/888789905.db2.gz YDUMQAAVVQQIGD-ZDUSSCGKSA-N 1 2 390.409 3.997 20 30 GHEDLO N#CC[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000454483725 889160582 /nfs/dbraw/zinc/16/05/82/889160582.db2.gz KSCPFNJQLNDHOG-JCGIZDLHSA-N 1 2 392.906 3.825 20 30 GHEDLO N#CC[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000454483725 889160593 /nfs/dbraw/zinc/16/05/93/889160593.db2.gz KSCPFNJQLNDHOG-JCGIZDLHSA-N 1 2 392.906 3.825 20 30 GHEDLO CC(C)[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccc([N+](=O)[O-])cc1 ZINC000173565010 889224729 /nfs/dbraw/zinc/22/47/29/889224729.db2.gz QDTWORVJHADGEU-UHFFFAOYSA-N 1 2 377.404 3.927 20 30 GHEDLO CC(C)[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccc([N+](=O)[O-])cc1 ZINC000173565010 889224735 /nfs/dbraw/zinc/22/47/35/889224735.db2.gz QDTWORVJHADGEU-UHFFFAOYSA-N 1 2 377.404 3.927 20 30 GHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](C)Cc2cccc(O)c2)c1C#N ZINC000533447684 890564266 /nfs/dbraw/zinc/56/42/66/890564266.db2.gz YWBRWJLWMBCPMI-UHFFFAOYSA-N 1 2 388.471 3.742 20 30 GHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](C)Cc2cccc(O)c2)c1C#N ZINC000533447684 890564275 /nfs/dbraw/zinc/56/42/75/890564275.db2.gz YWBRWJLWMBCPMI-UHFFFAOYSA-N 1 2 388.471 3.742 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000123697734 890928490 /nfs/dbraw/zinc/92/84/90/890928490.db2.gz GCXPQLRVMFREBJ-UHFFFAOYSA-N 1 2 395.507 3.516 20 30 GHEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1ccc(Br)o1 ZINC000127177653 890939614 /nfs/dbraw/zinc/93/96/14/890939614.db2.gz YFIBYZDJIFSLTL-CQSZACIVSA-N 1 2 390.281 3.809 20 30 GHEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1ccc(Br)o1 ZINC000127177653 890939618 /nfs/dbraw/zinc/93/96/18/890939618.db2.gz YFIBYZDJIFSLTL-CQSZACIVSA-N 1 2 390.281 3.809 20 30 GHEDLO COc1ccc(C(N)=[NH+]OCC(=O)Nc2cccc(Oc3ccccc3)c2)cc1 ZINC000917401941 891929355 /nfs/dbraw/zinc/92/93/55/891929355.db2.gz KPOISFAJBVZLPV-UHFFFAOYSA-N 1 2 391.427 3.763 20 30 GHEDLO CCOc1ccc([C@@H]2CCCN2C(=O)CO[NH+]=C(N)c2ccc(F)c(C)c2)cc1 ZINC000774822567 913648054 /nfs/dbraw/zinc/64/80/54/913648054.db2.gz ZQTZIAGMONQYBW-FQEVSTJZSA-N 1 2 399.466 3.533 20 30 GHEDLO N#Cc1csc(C[NH+]2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)n1 ZINC000814176756 892335224 /nfs/dbraw/zinc/33/52/24/892335224.db2.gz TYDGLKUGKKUKNJ-RBUKOAKNSA-N 1 2 396.516 3.542 20 30 GHEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cnn(Cc4ccccc4)c3Cl)C2)nc1 ZINC000814171978 892367328 /nfs/dbraw/zinc/36/73/28/892367328.db2.gz VOOIOPFLRMDTLP-LJQANCHMSA-N 1 2 393.878 3.505 20 30 GHEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cnn(Cc4ccccc4)c3Cl)C2)nc1 ZINC000814171978 892367347 /nfs/dbraw/zinc/36/73/47/892367347.db2.gz VOOIOPFLRMDTLP-LJQANCHMSA-N 1 2 393.878 3.505 20 30 GHEDLO C=CCc1cc(OCC)cc(C[N@@H+]2CCc3c(nnn3-c3ccccc3)C2)c1O ZINC000814223091 892415538 /nfs/dbraw/zinc/41/55/38/892415538.db2.gz MNZWAKSFLUQIQB-UHFFFAOYSA-N 1 2 390.487 3.658 20 30 GHEDLO C=CCc1cc(OCC)cc(C[N@H+]2CCc3c(nnn3-c3ccccc3)C2)c1O ZINC000814223091 892415543 /nfs/dbraw/zinc/41/55/43/892415543.db2.gz MNZWAKSFLUQIQB-UHFFFAOYSA-N 1 2 390.487 3.658 20 30 GHEDLO N#Cc1cnc(Cl)c(C[NH+]2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000876618503 893260144 /nfs/dbraw/zinc/26/01/44/893260144.db2.gz XANSGRCLSQGTDX-UHFFFAOYSA-N 1 2 387.846 3.532 20 30 GHEDLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000778220196 893379421 /nfs/dbraw/zinc/37/94/21/893379421.db2.gz DRUJIFGFKZLFHZ-OAHLLOKOSA-N 1 2 394.313 3.762 20 30 GHEDLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000778220196 893379434 /nfs/dbraw/zinc/37/94/34/893379434.db2.gz DRUJIFGFKZLFHZ-OAHLLOKOSA-N 1 2 394.313 3.762 20 30 GHEDLO Cn1cnc2c1[C@@H](COCC1CCCC1)C[N@H+](Cc1ccc(OCC#N)cc1)C2 ZINC001137116928 893502609 /nfs/dbraw/zinc/50/26/09/893502609.db2.gz VOYOPZRINDWYAG-HXUWFJFHSA-N 1 2 394.519 3.629 20 30 GHEDLO Cn1cnc2c1[C@@H](COCC1CCCC1)C[N@@H+](Cc1ccc(OCC#N)cc1)C2 ZINC001137116928 893502621 /nfs/dbraw/zinc/50/26/21/893502621.db2.gz VOYOPZRINDWYAG-HXUWFJFHSA-N 1 2 394.519 3.629 20 30 GHEDLO COc1ccccc1[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CCO1 ZINC000877754637 893792112 /nfs/dbraw/zinc/79/21/12/893792112.db2.gz NUEHPQOWMODAMR-JOCHJYFZSA-N 1 2 388.471 3.541 20 30 GHEDLO COc1ccccc1[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CCO1 ZINC000877754637 893792123 /nfs/dbraw/zinc/79/21/23/893792123.db2.gz NUEHPQOWMODAMR-JOCHJYFZSA-N 1 2 388.471 3.541 20 30 GHEDLO N#Cc1ccccc1OC1CCC([NH2+][C@@H](c2nnc[nH]2)c2ccc(F)cc2)CC1 ZINC000556118680 893829320 /nfs/dbraw/zinc/82/93/20/893829320.db2.gz HHAMOQAUCKFYFE-GZNCHQMQSA-N 1 2 391.450 3.885 20 30 GHEDLO CC(=O)[C@](C#N)(CC[N@@H+](C)Cc1ccc(Br)o1)c1ccccc1 ZINC000877917698 893893790 /nfs/dbraw/zinc/89/37/90/893893790.db2.gz BWFKMQOUGBRQBA-GOSISDBHSA-N 1 2 375.266 3.915 20 30 GHEDLO CC(=O)[C@](C#N)(CC[N@H+](C)Cc1ccc(Br)o1)c1ccccc1 ZINC000877917698 893893813 /nfs/dbraw/zinc/89/38/13/893893813.db2.gz BWFKMQOUGBRQBA-GOSISDBHSA-N 1 2 375.266 3.915 20 30 GHEDLO C=CCOc1c(Br)cc(C[NH+]2CC3(C2)CCCOC3)cc1OC ZINC000459607575 893897853 /nfs/dbraw/zinc/89/78/53/893897853.db2.gz OZIOYQMHVQTBKP-UHFFFAOYSA-N 1 2 382.298 3.635 20 30 GHEDLO C=CCOc1ccc(Br)cc1NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000459663267 894020456 /nfs/dbraw/zinc/02/04/56/894020456.db2.gz WSIACKDGKAEPMX-UHFFFAOYSA-N 1 2 393.285 3.764 20 30 GHEDLO CCOC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000459714699 894137425 /nfs/dbraw/zinc/13/74/25/894137425.db2.gz OOYATOQWUNGMHX-SJORKVTESA-N 1 2 375.538 3.910 20 30 GHEDLO CCOC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000459714699 894137431 /nfs/dbraw/zinc/13/74/31/894137431.db2.gz OOYATOQWUNGMHX-SJORKVTESA-N 1 2 375.538 3.910 20 30 GHEDLO CC(=O)[C@](C#N)(CC[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000878271295 894145075 /nfs/dbraw/zinc/14/50/75/894145075.db2.gz DARAPQCTZSIYBV-DNQXCXABSA-N 1 2 375.516 3.633 20 30 GHEDLO CC(=O)[C@](C#N)(CC[N@H+](C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000878271295 894145078 /nfs/dbraw/zinc/14/50/78/894145078.db2.gz DARAPQCTZSIYBV-DNQXCXABSA-N 1 2 375.516 3.633 20 30 GHEDLO CCc1ccc(-c2noc(C[N@H+](C)CCOCc3ccc(C#N)cc3)n2)cc1 ZINC000564157216 894660522 /nfs/dbraw/zinc/66/05/22/894660522.db2.gz MZGJIHDJFPUTJX-UHFFFAOYSA-N 1 2 376.460 3.819 20 30 GHEDLO CCc1ccc(-c2noc(C[N@@H+](C)CCOCc3ccc(C#N)cc3)n2)cc1 ZINC000564157216 894660526 /nfs/dbraw/zinc/66/05/26/894660526.db2.gz MZGJIHDJFPUTJX-UHFFFAOYSA-N 1 2 376.460 3.819 20 30 GHEDLO C=C[C@@H]1OCCC[C@H]1C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000564842513 895276894 /nfs/dbraw/zinc/27/68/94/895276894.db2.gz FSOWCGPIEBRTCF-AEFFLSMTSA-N 1 2 383.517 3.621 20 30 GHEDLO C=C[C@@H]1OCCC[C@H]1C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000564842513 895276904 /nfs/dbraw/zinc/27/69/04/895276904.db2.gz FSOWCGPIEBRTCF-AEFFLSMTSA-N 1 2 383.517 3.621 20 30 GHEDLO CC(C)(C#N)c1ccc(C(=O)OCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000817187861 895378797 /nfs/dbraw/zinc/37/87/97/895378797.db2.gz VXULBVTXVXWXAH-UHFFFAOYSA-N 1 2 378.472 3.677 20 30 GHEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccccc1SC[C@H]1CC1(Cl)Cl ZINC000819418543 896714122 /nfs/dbraw/zinc/71/41/22/896714122.db2.gz JLCXFWFHJJEVAB-KGLIPLIRSA-N 1 2 388.364 3.591 20 30 GHEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccccc1SC[C@H]1CC1(Cl)Cl ZINC000819418543 896714128 /nfs/dbraw/zinc/71/41/28/896714128.db2.gz JLCXFWFHJJEVAB-KGLIPLIRSA-N 1 2 388.364 3.591 20 30 GHEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccccc1SC[C@H]1CC1(Cl)Cl ZINC000819418546 896714774 /nfs/dbraw/zinc/71/47/74/896714774.db2.gz JLCXFWFHJJEVAB-ZIAGYGMSSA-N 1 2 388.364 3.591 20 30 GHEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccccc1SC[C@H]1CC1(Cl)Cl ZINC000819418546 896714787 /nfs/dbraw/zinc/71/47/87/896714787.db2.gz JLCXFWFHJJEVAB-ZIAGYGMSSA-N 1 2 388.364 3.591 20 30 GHEDLO CC(C)(C)OC(=O)NCc1nc2c(s1)CC[N@@H+]([C@@H]1CCC[C@H](C#N)C1)C2 ZINC000883280834 897439822 /nfs/dbraw/zinc/43/98/22/897439822.db2.gz OVPAIXNADHKYFR-UONOGXRCSA-N 1 2 376.526 3.608 20 30 GHEDLO CC(C)(C)OC(=O)NCc1nc2c(s1)CC[N@H+]([C@@H]1CCC[C@H](C#N)C1)C2 ZINC000883280834 897439836 /nfs/dbraw/zinc/43/98/36/897439836.db2.gz OVPAIXNADHKYFR-UONOGXRCSA-N 1 2 376.526 3.608 20 30 GHEDLO CCOC(=O)c1ccc(NC(=[NH2+])c2ccc(C(=O)OC)cc2)c2ccccc12 ZINC001170984239 898296940 /nfs/dbraw/zinc/29/69/40/898296940.db2.gz RHQMOQAUJNEFOQ-UHFFFAOYSA-N 1 2 376.412 3.840 20 30 GHEDLO COc1cc(C[NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)ccc1C#N ZINC000569860567 898990592 /nfs/dbraw/zinc/99/05/92/898990592.db2.gz DZQNITYRBBCJIM-UHFFFAOYSA-N 1 2 388.258 3.744 20 30 GHEDLO C[C@@H](c1cccc(NC(=O)C(F)(F)c2ccccc2C#N)c1)[NH+]1CCOCC1 ZINC001136717228 899018778 /nfs/dbraw/zinc/01/87/78/899018778.db2.gz FXIQJGULPVZMCW-HNNXBMFYSA-N 1 2 385.414 3.682 20 30 GHEDLO C[C@H](c1cccc(NC(=O)C(F)(F)c2ccccc2C#N)c1)[NH+]1CCOCC1 ZINC001136717229 899019189 /nfs/dbraw/zinc/01/91/89/899019189.db2.gz FXIQJGULPVZMCW-OAHLLOKOSA-N 1 2 385.414 3.682 20 30 GHEDLO COc1cc(C(N)=[NH+]OCc2ccccc2C(C)(C)C#N)ccc1OC(F)F ZINC000133887099 899199639 /nfs/dbraw/zinc/19/96/39/899199639.db2.gz OTAFKLJZZNHHBY-UHFFFAOYSA-N 1 2 389.402 3.935 20 30 GHEDLO C=CCOC[C@H]1C[N@@H+](Cc2c[nH]c3cc(C)ccc23)Cc2nnn(CC3CC3)c21 ZINC001136970850 899922493 /nfs/dbraw/zinc/92/24/93/899922493.db2.gz WBFDQHQZBDESLZ-LJQANCHMSA-N 1 2 391.519 3.780 20 30 GHEDLO C=CCOC[C@H]1C[N@H+](Cc2c[nH]c3cc(C)ccc23)Cc2nnn(CC3CC3)c21 ZINC001136970850 899922501 /nfs/dbraw/zinc/92/25/01/899922501.db2.gz WBFDQHQZBDESLZ-LJQANCHMSA-N 1 2 391.519 3.780 20 30 GHEDLO C=CCSc1nc2ccccc2n1C[N@@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000134835207 900132332 /nfs/dbraw/zinc/13/23/32/900132332.db2.gz PMGHNYIQCXCQNO-CQSZACIVSA-N 1 2 384.471 3.840 20 30 GHEDLO C=CCSc1nc2ccccc2n1C[N@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000134835207 900132335 /nfs/dbraw/zinc/13/23/35/900132335.db2.gz PMGHNYIQCXCQNO-CQSZACIVSA-N 1 2 384.471 3.840 20 30 GHEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001143724795 900444222 /nfs/dbraw/zinc/44/42/22/900444222.db2.gz SCKYDJWSAPJGAP-SIKLNZKXSA-N 1 2 397.906 3.947 20 30 GHEDLO N#Cc1cccc(Cl)c1C[N@H+]1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001143724795 900444225 /nfs/dbraw/zinc/44/42/25/900444225.db2.gz SCKYDJWSAPJGAP-SIKLNZKXSA-N 1 2 397.906 3.947 20 30 GHEDLO C[C@H]1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000282943669 900636763 /nfs/dbraw/zinc/63/67/63/900636763.db2.gz HBRHXFKJYQIWOR-SWLSCSKDSA-N 1 2 393.369 3.768 20 30 GHEDLO C[C@@H]1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000282943668 900636905 /nfs/dbraw/zinc/63/69/05/900636905.db2.gz HBRHXFKJYQIWOR-IUODEOHRSA-N 1 2 393.369 3.768 20 30 GHEDLO Cc1cn2cc(NC(=O)N3CCN(c4ccc(C#N)cc4Cl)CC3)ccc2[nH+]1 ZINC000573907474 900697308 /nfs/dbraw/zinc/69/73/08/900697308.db2.gz JQYIETXNKCWFLA-UHFFFAOYSA-N 1 2 394.866 3.522 20 30 GHEDLO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCn2c(COc3cccnc3)cnc2[C@@H]1C ZINC001171215960 902721213 /nfs/dbraw/zinc/72/12/13/902721213.db2.gz FEZRYKFBNWXRCC-ROUUACIJSA-N 1 2 387.487 3.737 20 30 GHEDLO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCn2c(COc3cccnc3)cnc2[C@@H]1C ZINC001171215960 902721217 /nfs/dbraw/zinc/72/12/17/902721217.db2.gz FEZRYKFBNWXRCC-ROUUACIJSA-N 1 2 387.487 3.737 20 30 GHEDLO Cc1nccn1CCC[N@@H+](C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000130906779 903037793 /nfs/dbraw/zinc/03/77/93/903037793.db2.gz CNACEFTYEYYSAP-INIZCTEOSA-N 1 2 385.537 3.546 20 30 GHEDLO Cc1nccn1CCC[N@H+](C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000130906779 903037807 /nfs/dbraw/zinc/03/78/07/903037807.db2.gz CNACEFTYEYYSAP-INIZCTEOSA-N 1 2 385.537 3.546 20 30 GHEDLO COc1cc([C@H](C)[NH2+]Cc2nc(C#N)cs2)ccc1OCc1ccncc1 ZINC000577683931 903046785 /nfs/dbraw/zinc/04/67/85/903046785.db2.gz JZTPGGXLAWLHOX-AWEZNQCLSA-N 1 2 380.473 3.848 20 30 GHEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000601139187 903381845 /nfs/dbraw/zinc/38/18/45/903381845.db2.gz XSKIQSHCPQILME-HXUWFJFHSA-N 1 2 393.491 3.566 20 30 GHEDLO N#Cc1ccc(C2CCN(C(=O)C[C@H](n3cc[nH+]c3)C(F)(F)F)CC2)cc1 ZINC000887698798 903504103 /nfs/dbraw/zinc/50/41/03/903504103.db2.gz BDDRNPHNXLCZPG-KRWDZBQOSA-N 1 2 376.382 3.654 20 30 GHEDLO C[N@H+](CCOCc1ccc(C#N)cc1)CC(=O)Nc1cccc(Cl)c1Cl ZINC000579400716 904567566 /nfs/dbraw/zinc/56/75/66/904567566.db2.gz JCTPQHYJMJTXSD-UHFFFAOYSA-N 1 2 392.286 3.952 20 30 GHEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)CC(=O)Nc1cccc(Cl)c1Cl ZINC000579400716 904567582 /nfs/dbraw/zinc/56/75/82/904567582.db2.gz JCTPQHYJMJTXSD-UHFFFAOYSA-N 1 2 392.286 3.952 20 30 GHEDLO C#CCOc1cccc(Cl)c1C[N@@H+](Cc1ccc(C(=O)NC)cc1)C1CC1 ZINC000779154346 904769662 /nfs/dbraw/zinc/76/96/62/904769662.db2.gz RCJZAVKKVGXPIS-UHFFFAOYSA-N 1 2 382.891 3.876 20 30 GHEDLO C#CCOc1cccc(Cl)c1C[N@H+](Cc1ccc(C(=O)NC)cc1)C1CC1 ZINC000779154346 904769669 /nfs/dbraw/zinc/76/96/69/904769669.db2.gz RCJZAVKKVGXPIS-UHFFFAOYSA-N 1 2 382.891 3.876 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH+]1CCC(C(F)(F)F)CC1 ZINC000174190495 905222445 /nfs/dbraw/zinc/22/24/45/905222445.db2.gz DDKSRFWGRYRRDY-CQSZACIVSA-N 1 2 383.414 3.605 20 30 GHEDLO CCCCCCCC[C@@H](CC)[N@H+]1Cc2c(n(C)nc2C(=O)N2CCOCC2)C1 ZINC001172505007 905601853 /nfs/dbraw/zinc/60/18/53/905601853.db2.gz IRZISVYPNBVBPM-GOSISDBHSA-N 1 2 390.572 3.737 20 30 GHEDLO CCCCCCCC[C@@H](CC)[N@@H+]1Cc2c(n(C)nc2C(=O)N2CCOCC2)C1 ZINC001172505007 905601859 /nfs/dbraw/zinc/60/18/59/905601859.db2.gz IRZISVYPNBVBPM-GOSISDBHSA-N 1 2 390.572 3.737 20 30 GHEDLO CC[NH+]1CCN(c2ccc(C(O)=C(C#N)c3nc4ccccc4s3)cc2)CC1 ZINC000777297081 905616734 /nfs/dbraw/zinc/61/67/34/905616734.db2.gz USDAXDXTXWYLKZ-GOSISDBHSA-N 1 2 390.512 3.928 20 30 GHEDLO CC[NH+]1CCN(c2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4s3)cc2)CC1 ZINC000777297081 905616743 /nfs/dbraw/zinc/61/67/43/905616743.db2.gz USDAXDXTXWYLKZ-GOSISDBHSA-N 1 2 390.512 3.928 20 30 GHEDLO CC(C)[C@@](C)(C#N)[NH2+]C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC001173382248 906451281 /nfs/dbraw/zinc/45/12/81/906451281.db2.gz BADFPBWSLBZWTE-GOSISDBHSA-N 1 2 378.314 3.582 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000180568962 906794545 /nfs/dbraw/zinc/79/45/45/906794545.db2.gz QDOVZGNSIKJGNT-PMACEKPBSA-N 1 2 381.426 3.695 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000180568962 906794559 /nfs/dbraw/zinc/79/45/59/906794559.db2.gz QDOVZGNSIKJGNT-PMACEKPBSA-N 1 2 381.426 3.695 20 30 GHEDLO N#CCc1ccccc1CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000777397756 907449433 /nfs/dbraw/zinc/44/94/33/907449433.db2.gz FORSAOWXKKKCIB-HXUWFJFHSA-N 1 2 399.897 3.868 20 30 GHEDLO N#CCc1ccccc1CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000777397756 907449438 /nfs/dbraw/zinc/44/94/38/907449438.db2.gz FORSAOWXKKKCIB-HXUWFJFHSA-N 1 2 399.897 3.868 20 30 GHEDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2ccccc2Oc2ccccc2C#N)C[C@H](C)O1 ZINC000194743791 908919091 /nfs/dbraw/zinc/91/90/91/908919091.db2.gz ZGYQFPNWGDSHIE-HDICACEKSA-N 1 2 393.487 3.532 20 30 GHEDLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2ccccc2Oc2ccccc2C#N)C[C@H](C)O1 ZINC000194743791 908919096 /nfs/dbraw/zinc/91/90/96/908919096.db2.gz ZGYQFPNWGDSHIE-HDICACEKSA-N 1 2 393.487 3.532 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)cc1 ZINC000266508537 909200764 /nfs/dbraw/zinc/20/07/64/909200764.db2.gz CORKYRMXFIUZQC-UHFFFAOYSA-N 1 2 385.427 3.523 20 30 GHEDLO C#Cc1cccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000245712752 909849046 /nfs/dbraw/zinc/84/90/46/909849046.db2.gz FQCZBZOQRMIKQG-PMACEKPBSA-N 1 2 383.879 3.515 20 30 GHEDLO C#Cc1cccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000245712752 909849058 /nfs/dbraw/zinc/84/90/58/909849058.db2.gz FQCZBZOQRMIKQG-PMACEKPBSA-N 1 2 383.879 3.515 20 30 GHEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(Br)ccc1Cl ZINC001276031217 921535431 /nfs/dbraw/zinc/53/54/31/921535431.db2.gz FUPIFSMSANFWNW-GOSISDBHSA-N 1 2 395.728 3.693 20 30 GHEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Br)ccc1Cl ZINC001276031217 921535441 /nfs/dbraw/zinc/53/54/41/921535441.db2.gz FUPIFSMSANFWNW-GOSISDBHSA-N 1 2 395.728 3.693 20 30 GHEDLO C[C@H](C#N)OCCN1CC[NH+]([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000801917981 921623169 /nfs/dbraw/zinc/62/31/69/921623169.db2.gz UKWUDLNXIBKLMQ-GCJKJVERSA-N 1 2 383.923 3.976 20 30 GHEDLO COc1cccc([C@H](C)N2CC[NH+](Cc3ccc(O[C@@H](C)C#N)cc3)CC2)c1 ZINC000093078610 912048433 /nfs/dbraw/zinc/04/84/33/912048433.db2.gz WCIMGDUQTANTDL-OALUTQOASA-N 1 2 379.504 3.865 20 30 GHEDLO CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@]12CCN(CCCC#N)C2=O ZINC001275613252 915311685 /nfs/dbraw/zinc/31/16/85/915311685.db2.gz WLGSEOKUGMQEPG-HXUWFJFHSA-N 1 2 375.900 3.609 20 30 GHEDLO CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@]12CCN(CCCC#N)C2=O ZINC001275613252 915311714 /nfs/dbraw/zinc/31/17/14/915311714.db2.gz WLGSEOKUGMQEPG-HXUWFJFHSA-N 1 2 375.900 3.609 20 30 GHEDLO C[C@@H](O[NH+]=C(N)c1ccc(OCc2ccccc2)cc1)C(=O)N1CCCCCC1 ZINC000097571208 915701983 /nfs/dbraw/zinc/70/19/83/915701983.db2.gz YSWDKIIXFPFGEN-GOSISDBHSA-N 1 2 395.503 3.694 20 30 GHEDLO CC(=O)N1CCC([N@H+](Cc2cncs2)Cc2ccc(Cl)cc2C#N)CC1 ZINC000292549039 915735121 /nfs/dbraw/zinc/73/51/21/915735121.db2.gz YJPPMMATMZEPTN-UHFFFAOYSA-N 1 2 388.924 3.681 20 30 GHEDLO CC(=O)N1CCC([N@@H+](Cc2cncs2)Cc2ccc(Cl)cc2C#N)CC1 ZINC000292549039 915735127 /nfs/dbraw/zinc/73/51/27/915735127.db2.gz YJPPMMATMZEPTN-UHFFFAOYSA-N 1 2 388.924 3.681 20 30 GHEDLO C=C(Br)C[NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000775186027 916075205 /nfs/dbraw/zinc/07/52/05/916075205.db2.gz VTSWOKCFNJIBMS-VIFPVBQESA-N 1 2 377.076 3.780 20 30 GHEDLO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2)C1 ZINC001191182590 917836804 /nfs/dbraw/zinc/83/68/04/917836804.db2.gz PQEQBTSRDVTMRG-LJQANCHMSA-N 1 2 383.879 3.637 20 30 GHEDLO N#CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](NC(=O)c2ccccc2)C1 ZINC001191182590 917836815 /nfs/dbraw/zinc/83/68/15/917836815.db2.gz PQEQBTSRDVTMRG-LJQANCHMSA-N 1 2 383.879 3.637 20 30 GHEDLO Cc1ccc(S(=O)(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)[C@H]2C)c(C#N)c1 ZINC001192036016 918368910 /nfs/dbraw/zinc/36/89/10/918368910.db2.gz IZKRKOLLJGUPRP-GBESFXJTSA-N 1 2 397.544 3.539 20 30 GHEDLO Cc1ccc(S(=O)(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@@H](C)[C@H]2C)c(C#N)c1 ZINC001192036016 918368922 /nfs/dbraw/zinc/36/89/22/918368922.db2.gz IZKRKOLLJGUPRP-GBESFXJTSA-N 1 2 397.544 3.539 20 30 GHEDLO C=CCN1CC[C@@]2(CCC[N@H+]2C/C(Br)=C/c2ccccc2)C1=O ZINC001276373530 919594959 /nfs/dbraw/zinc/59/49/59/919594959.db2.gz GNVGTFNNPBIHCE-FCUDFIOSSA-N 1 2 375.310 3.675 20 30 GHEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2C/C(Br)=C/c2ccccc2)C1=O ZINC001276373530 919594966 /nfs/dbraw/zinc/59/49/66/919594966.db2.gz GNVGTFNNPBIHCE-FCUDFIOSSA-N 1 2 375.310 3.675 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](C[C@H](O)c3ccccc3Cl)CC2)c(Cl)c1 ZINC000800382555 920011692 /nfs/dbraw/zinc/01/16/92/920011692.db2.gz YBSOLRUUNPGGQV-IBGZPJMESA-N 1 2 376.287 3.721 20 30 GHEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(Br)cc1Cl ZINC001275965060 920328996 /nfs/dbraw/zinc/32/89/96/920328996.db2.gz BQZSORHAHHRVGQ-HZPDHXFCSA-N 1 2 383.717 3.854 20 30 GHEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(Br)cc1Cl ZINC001275965060 920329014 /nfs/dbraw/zinc/32/90/14/920329014.db2.gz BQZSORHAHHRVGQ-HZPDHXFCSA-N 1 2 383.717 3.854 20 30 GHEDLO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000900905384 920702323 /nfs/dbraw/zinc/70/23/23/920702323.db2.gz SICFQIADGUBVOA-PKTZIBPZSA-N 1 2 399.498 3.907 20 30 GHEDLO C=CCn1c(-c2cccs2)nn(CN2CCc3c([nH+]cn3CC)C2)c1=S ZINC000902550651 922272192 /nfs/dbraw/zinc/27/21/92/922272192.db2.gz FKSZLPHPKFLGMK-UHFFFAOYSA-N 1 2 386.550 3.561 20 30 GHEDLO Cn1cc[nH+]c1CCCOC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000802783938 922404373 /nfs/dbraw/zinc/40/43/73/922404373.db2.gz GCUXFPPLMUBDTL-UHFFFAOYSA-N 1 2 375.428 3.660 20 30 GHEDLO COc1cc(Br)c(C[NH2+][C@H](C)c2cc(C#N)ccn2)cc1OC ZINC000902861307 922564820 /nfs/dbraw/zinc/56/48/20/922564820.db2.gz SEVXKLHETBVAMU-LLVKDONJSA-N 1 2 376.254 3.584 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(C)(c2nc(C)no2)CC1 ZINC000371570473 924682737 /nfs/dbraw/zinc/68/27/37/924682737.db2.gz NQFNBUDQCVNGNF-UHFFFAOYSA-N 1 2 386.521 3.648 20 30 GHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH+]2CCC(CC#N)CC2)c1C#N ZINC000543809000 924847754 /nfs/dbraw/zinc/84/77/54/924847754.db2.gz DMVSZSLAOUDDQW-UHFFFAOYSA-N 1 2 389.503 3.589 20 30 GHEDLO C[N@@H+](Cc1ccc2ccccc2c1)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O ZINC000725765519 926430356 /nfs/dbraw/zinc/43/03/56/926430356.db2.gz OIFXAQMAOXYRAP-DEOSSOPVSA-N 1 2 398.466 3.568 20 30 GHEDLO C[N@H+](Cc1ccc2ccccc2c1)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O ZINC000725765519 926430361 /nfs/dbraw/zinc/43/03/61/926430361.db2.gz OIFXAQMAOXYRAP-DEOSSOPVSA-N 1 2 398.466 3.568 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411949479 926940019 /nfs/dbraw/zinc/94/00/19/926940019.db2.gz QQLZWLTYMXABHT-KPFFTGBYSA-N 1 2 395.528 3.685 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411949479 926940041 /nfs/dbraw/zinc/94/00/41/926940041.db2.gz QQLZWLTYMXABHT-KPFFTGBYSA-N 1 2 395.528 3.685 20 30 GHEDLO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(C#N)(c2ccccn2)CC1)c1ccc(Cl)cc1 ZINC000374292344 926990731 /nfs/dbraw/zinc/99/07/31/926990731.db2.gz NDOHWUVKDJGXFK-IAGOWNOFSA-N 1 2 396.922 3.858 20 30 GHEDLO Cc1[nH+]cc(CN=Nc2ncncc2Cl)n1-c1ccc(Br)cc1 ZINC000780278910 927570080 /nfs/dbraw/zinc/57/00/80/927570080.db2.gz FLFXVOGLFADQHG-UHFFFAOYSA-N 1 2 391.660 3.833 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cnc(-c2ccccc2OC)nc1 ZINC000430070847 928476241 /nfs/dbraw/zinc/47/62/41/928476241.db2.gz ZDAXDPCNOGSLSN-UHFFFAOYSA-N 1 2 379.460 3.816 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cnc(-c2ccccc2OC)nc1 ZINC000430070847 928476247 /nfs/dbraw/zinc/47/62/47/928476247.db2.gz ZDAXDPCNOGSLSN-UHFFFAOYSA-N 1 2 379.460 3.816 20 30 GHEDLO CC(C)c1nn(-c2ccccc2)c(Cl)c1C=NNC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753933246 929599149 /nfs/dbraw/zinc/59/91/49/929599149.db2.gz DMIORGYAYBIXER-IAGOWNOFSA-N 1 2 384.915 3.843 20 30 GHEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000469405228 929853738 /nfs/dbraw/zinc/85/37/38/929853738.db2.gz DNJNQOSTNZXXHM-YQVWRLOYSA-N 1 2 380.891 3.541 20 30 GHEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000469405228 929853746 /nfs/dbraw/zinc/85/37/46/929853746.db2.gz DNJNQOSTNZXXHM-YQVWRLOYSA-N 1 2 380.891 3.541 20 30 GHEDLO Cc1ccn(C[N@@H+](C)Cc2cc(C)c(OCC(F)(F)F)c(C)c2)c(=O)c1C#N ZINC000758199787 929970846 /nfs/dbraw/zinc/97/08/46/929970846.db2.gz UAQRGKMEVGCTAO-UHFFFAOYSA-N 1 2 393.409 3.676 20 30 GHEDLO Cc1ccn(C[N@H+](C)Cc2cc(C)c(OCC(F)(F)F)c(C)c2)c(=O)c1C#N ZINC000758199787 929970850 /nfs/dbraw/zinc/97/08/50/929970850.db2.gz UAQRGKMEVGCTAO-UHFFFAOYSA-N 1 2 393.409 3.676 20 30 GHEDLO CC(C)OC[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)CCO1 ZINC000546736032 930391547 /nfs/dbraw/zinc/39/15/47/930391547.db2.gz GTHVHVRQPAZQSJ-QHCPKHFHSA-N 1 2 380.488 3.763 20 30 GHEDLO CC(C)OC[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)CCO1 ZINC000546736032 930391549 /nfs/dbraw/zinc/39/15/49/930391549.db2.gz GTHVHVRQPAZQSJ-QHCPKHFHSA-N 1 2 380.488 3.763 20 30 GHEDLO Cc1cc(Br)c(O)c(C[NH+]2CCN(c3ccccc3C#N)CC2)c1 ZINC000781898360 931017369 /nfs/dbraw/zinc/01/73/69/931017369.db2.gz XWSIVLTUQTWDLF-UHFFFAOYSA-N 1 2 386.293 3.657 20 30 GHEDLO COC(=O)c1cccc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c1 ZINC000470995127 931084131 /nfs/dbraw/zinc/08/41/31/931084131.db2.gz ODYBBRYSFWHOLZ-HXUWFJFHSA-N 1 2 383.879 3.509 20 30 GHEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000557600037 931566545 /nfs/dbraw/zinc/56/65/45/931566545.db2.gz RFZIXZWTJLICFJ-UHFFFAOYSA-N 1 2 399.516 3.566 20 30 GHEDLO O=C(/C=C\c1cc(-n2cc[nH+]c2)cs1)c1ccc(N2CCC(O)CC2)cc1 ZINC000783706657 931624408 /nfs/dbraw/zinc/62/44/08/931624408.db2.gz JZRPUOVADDMGFU-WAYWQWQTSA-N 1 2 379.485 3.791 20 30 GHEDLO Cc1ccc(N2CC[NH+]([C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)CC2)cc1 ZINC000784390159 931877805 /nfs/dbraw/zinc/87/78/05/931877805.db2.gz OSTSQCGJWQWTJW-IBGZPJMESA-N 1 2 394.494 3.592 20 30 GHEDLO COCc1ccccc1/C=C(/C)C[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000560533354 933317470 /nfs/dbraw/zinc/31/74/70/933317470.db2.gz DPVDSZCFGSDEGY-VBKFSLOCSA-N 1 2 382.533 3.695 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC(SC)CC1 ZINC001121682192 934737074 /nfs/dbraw/zinc/73/70/74/934737074.db2.gz MWMSHCWWHALSKQ-KRWDZBQOSA-N 1 2 385.581 3.989 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC(SC)CC1 ZINC001121682192 934737077 /nfs/dbraw/zinc/73/70/77/934737077.db2.gz MWMSHCWWHALSKQ-KRWDZBQOSA-N 1 2 385.581 3.989 20 30 GHEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001121682915 934737451 /nfs/dbraw/zinc/73/74/51/934737451.db2.gz XRVBEKTZHGAXJO-XMSQKQJNSA-N 1 2 378.524 3.787 20 30 GHEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001121682915 934737452 /nfs/dbraw/zinc/73/74/52/934737452.db2.gz XRVBEKTZHGAXJO-XMSQKQJNSA-N 1 2 378.524 3.787 20 30 GHEDLO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(c3cccc(F)c3F)CC2)C1=O ZINC000562304643 934813658 /nfs/dbraw/zinc/81/36/58/934813658.db2.gz MXCGJCDXAJYSSQ-QGZVFWFLSA-N 1 2 387.455 3.883 20 30 GHEDLO CC(C)CN(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1Cc1ccccc1 ZINC001122077540 934816209 /nfs/dbraw/zinc/81/62/09/934816209.db2.gz OKCJWTMCIKSBNK-UHFFFAOYSA-N 1 2 380.540 3.512 20 30 GHEDLO C=C(C)Cn1c(-c2scnc2C)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001122431540 934867758 /nfs/dbraw/zinc/86/77/58/934867758.db2.gz RGVYBHCOIWHJNC-UHFFFAOYSA-N 1 2 395.536 3.762 20 30 GHEDLO C=CCN(c1nnc([C@H](C)[N@H+](C)Cc2ccccc2)n1C[C@@H]1CCOC1)C1CC1 ZINC001123227241 935123165 /nfs/dbraw/zinc/12/31/65/935123165.db2.gz QJDONSXCHFFUFU-ICSRJNTNSA-N 1 2 395.551 3.662 20 30 GHEDLO C=CCN(c1nnc([C@H](C)[N@@H+](C)Cc2ccccc2)n1C[C@@H]1CCOC1)C1CC1 ZINC001123227241 935123169 /nfs/dbraw/zinc/12/31/69/935123169.db2.gz QJDONSXCHFFUFU-ICSRJNTNSA-N 1 2 395.551 3.662 20 30 GHEDLO COc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001123307052 935152349 /nfs/dbraw/zinc/15/23/49/935152349.db2.gz HPPXVZAEOKUDCK-MRXNPFEDSA-N 1 2 381.480 3.930 20 30 GHEDLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(C(=O)NCc2ccc(C#N)cc2F)C1 ZINC001123505187 935213049 /nfs/dbraw/zinc/21/30/49/935213049.db2.gz ZYMYYVFUZUCVBB-QGZVFWFLSA-N 1 2 383.471 3.738 20 30 GHEDLO CCOC(=O)N1CC[NH+](Cc2ccc(N(C)c3ccc(C#N)cc3)cc2)CC1 ZINC001137902465 935856370 /nfs/dbraw/zinc/85/63/70/935856370.db2.gz CWUCEAQIDPYDDP-UHFFFAOYSA-N 1 2 378.476 3.600 20 30 GHEDLO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000451883247 1014541917 /nfs/dbraw/zinc/54/19/17/1014541917.db2.gz UGXBDXMNDXWMEY-LBPRGKRZSA-N 1 2 390.247 3.637 20 30 GHEDLO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000451883247 1014541928 /nfs/dbraw/zinc/54/19/28/1014541928.db2.gz UGXBDXMNDXWMEY-LBPRGKRZSA-N 1 2 390.247 3.637 20 30 GHEDLO N#Cc1cc(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1Br ZINC001226729096 1032097794 /nfs/dbraw/zinc/09/77/94/1032097794.db2.gz IXBLREJWPBJMSD-GOSISDBHSA-N 1 2 387.277 3.601 20 30 GHEDLO N#Cc1cc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1Br ZINC001226729096 1032097806 /nfs/dbraw/zinc/09/78/06/1032097806.db2.gz IXBLREJWPBJMSD-GOSISDBHSA-N 1 2 387.277 3.601 20 30 GHEDLO C[C@](O)(C1CC[NH+](Cc2ccc(C#N)cc2OC(F)F)CC1)C(F)(F)F ZINC000546637394 1016698469 /nfs/dbraw/zinc/69/84/69/1016698469.db2.gz AWKVZZKYISAWNU-INIZCTEOSA-N 1 2 378.341 3.685 20 30 GHEDLO CC[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1cccc(C#N)c1O ZINC000924677197 1017003991 /nfs/dbraw/zinc/00/39/91/1017003991.db2.gz KBYLWASHVPMHLE-GQIGUUNPSA-N 1 2 380.492 3.513 20 30 GHEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1c(Cl)cc(Cl)cc1Cl)CC2 ZINC001276445190 1032611479 /nfs/dbraw/zinc/61/14/79/1032611479.db2.gz FBIWYUQNFWHQSR-AWEZNQCLSA-N 1 2 385.722 3.998 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2nc3cccc4c3n2CCCC4=O)C1 ZINC001227817657 1032626472 /nfs/dbraw/zinc/62/64/72/1032626472.db2.gz BGXRJYZLHWVTJH-SFHVURJKSA-N 1 2 386.455 3.538 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2nc3cccc4c3n2CCCC4=O)C1 ZINC001227817657 1032626492 /nfs/dbraw/zinc/62/64/92/1032626492.db2.gz BGXRJYZLHWVTJH-SFHVURJKSA-N 1 2 386.455 3.538 20 30 GHEDLO CC[N@@H+]1CC[C@H](Nc2nccc(C#N)c2Cl)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000561268037 1017826304 /nfs/dbraw/zinc/82/63/04/1017826304.db2.gz QGAXNUJTOBJWOB-YOEHRIQHSA-N 1 2 380.801 3.693 20 30 GHEDLO CC[N@H+]1CC[C@H](Nc2nccc(C#N)c2Cl)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000561268037 1017826323 /nfs/dbraw/zinc/82/63/23/1017826323.db2.gz QGAXNUJTOBJWOB-YOEHRIQHSA-N 1 2 380.801 3.693 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H](c1ncccn1)C1CC1 ZINC000932358338 1018221703 /nfs/dbraw/zinc/22/17/03/1018221703.db2.gz WXJKGPNYCTYHDR-LIRRHRJNSA-N 1 2 381.505 3.550 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[NH+](Cc2cccc(Nc3ccc(C#N)nc3)c2)CC1 ZINC001204316727 1032760984 /nfs/dbraw/zinc/76/09/84/1032760984.db2.gz PTNGRVUFNXWSLT-UHFFFAOYSA-N 1 2 393.491 3.750 20 30 GHEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000569419095 1019486025 /nfs/dbraw/zinc/48/60/25/1019486025.db2.gz AKNJWPPFMPVEGF-PXNSSMCTSA-N 1 2 380.492 3.989 20 30 GHEDLO C=C[C@@](C)(O)CC(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000574328353 1019865976 /nfs/dbraw/zinc/86/59/76/1019865976.db2.gz ZTJNBDMMKVUHQP-XZOQPEGZSA-N 1 2 398.934 3.901 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)cc1OC ZINC000628254633 1020683529 /nfs/dbraw/zinc/68/35/29/1020683529.db2.gz JEUQRECVMHTSTO-MDOVXXIYSA-N 1 2 381.900 3.682 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)cc1OC ZINC000628254633 1020683534 /nfs/dbraw/zinc/68/35/34/1020683534.db2.gz JEUQRECVMHTSTO-MDOVXXIYSA-N 1 2 381.900 3.682 20 30 GHEDLO C#CCOc1ccc(Br)cc1CN[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000756997127 1023903262 /nfs/dbraw/zinc/90/32/62/1023903262.db2.gz VAKSYPDLDRARLC-LJQANCHMSA-N 1 2 385.305 3.737 20 30 GHEDLO C#CCOc1ccc(Br)cc1CN[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000756997127 1023903263 /nfs/dbraw/zinc/90/32/63/1023903263.db2.gz VAKSYPDLDRARLC-LJQANCHMSA-N 1 2 385.305 3.737 20 30 GHEDLO COC(=O)c1cc(C#N)cnc1N1c2sc(C)cc2C(=[NH2+])Nc2ccccc21 ZINC001156674107 1033175851 /nfs/dbraw/zinc/17/58/51/1033175851.db2.gz NFHFCYUHVWQYKT-UHFFFAOYSA-N 1 2 389.440 3.930 20 30 GHEDLO C=CCn1cc2ccc(NC(=O)[C@@H]3CCCC[N@@H+]3Cc3ccncc3)cc2n1 ZINC001156690897 1033186961 /nfs/dbraw/zinc/18/69/61/1033186961.db2.gz VISPKWATZLQRRQ-NRFANRHFSA-N 1 2 375.476 3.611 20 30 GHEDLO C=CCn1cc2ccc(NC(=O)[C@@H]3CCCC[N@H+]3Cc3ccncc3)cc2n1 ZINC001156690897 1033186973 /nfs/dbraw/zinc/18/69/73/1033186973.db2.gz VISPKWATZLQRRQ-NRFANRHFSA-N 1 2 375.476 3.611 20 30 GHEDLO N#Cc1cccc(O[C@H]2COCC[N@H+](Cc3ccccc3)C2)c1Br ZINC001229007987 1033229362 /nfs/dbraw/zinc/22/93/62/1033229362.db2.gz QWDSHQIXYLIVIM-QGZVFWFLSA-N 1 2 387.277 3.601 20 30 GHEDLO N#Cc1cccc(O[C@H]2COCC[N@@H+](Cc3ccccc3)C2)c1Br ZINC001229007987 1033229374 /nfs/dbraw/zinc/22/93/74/1033229374.db2.gz QWDSHQIXYLIVIM-QGZVFWFLSA-N 1 2 387.277 3.601 20 30 GHEDLO CC[C@@H]1C[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000838902711 1025429681 /nfs/dbraw/zinc/42/96/81/1025429681.db2.gz ZDGYGPKSCVAHQA-RHSMWYFYSA-N 1 2 388.468 3.592 20 30 GHEDLO CC[C@@H]1C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000838902711 1025429693 /nfs/dbraw/zinc/42/96/93/1025429693.db2.gz ZDGYGPKSCVAHQA-RHSMWYFYSA-N 1 2 388.468 3.592 20 30 GHEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3ccc(OC)c(OC)c3Cl)C2)CC1 ZINC001139115271 1025923365 /nfs/dbraw/zinc/92/33/65/1025923365.db2.gz VOFVWUCQZJAAAC-UHFFFAOYSA-N 1 2 394.899 3.578 20 30 GHEDLO C=CCOC[C@H]1C[N@@H+](Cc2c[nH]c3cccc(C)c23)Cc2nnn(CC3CC3)c21 ZINC001139195717 1026037303 /nfs/dbraw/zinc/03/73/03/1026037303.db2.gz UYQHATREXMPOGG-LJQANCHMSA-N 1 2 391.519 3.780 20 30 GHEDLO C=CCOC[C@H]1C[N@H+](Cc2c[nH]c3cccc(C)c23)Cc2nnn(CC3CC3)c21 ZINC001139195717 1026037319 /nfs/dbraw/zinc/03/73/19/1026037319.db2.gz UYQHATREXMPOGG-LJQANCHMSA-N 1 2 391.519 3.780 20 30 GHEDLO N#Cc1ccc(C[NH+](Cc2cn3ccncc3n2)Cc2ccc(C#N)cc2)cc1 ZINC001139699902 1026545940 /nfs/dbraw/zinc/54/59/40/1026545940.db2.gz PJCOQXGCNKUFOY-UHFFFAOYSA-N 1 2 378.439 3.675 20 30 GHEDLO CCn1ncc2c1C[N@H+](Cc1ccc(C)c(C#N)c1)C[C@H]2COc1cccnc1 ZINC001139724934 1026568596 /nfs/dbraw/zinc/56/85/96/1026568596.db2.gz WIZFTQFGTRKKFA-FQEVSTJZSA-N 1 2 387.487 3.657 20 30 GHEDLO CCn1ncc2c1C[N@@H+](Cc1ccc(C)c(C#N)c1)C[C@H]2COc1cccnc1 ZINC001139724934 1026568599 /nfs/dbraw/zinc/56/85/99/1026568599.db2.gz WIZFTQFGTRKKFA-FQEVSTJZSA-N 1 2 387.487 3.657 20 30 GHEDLO C=CCN1C(=O)CC[C@]12CCCN(c1nc(NCC3CC3)c(C)c[nH+]1)[C@H]2CC ZINC001165595305 1026770899 /nfs/dbraw/zinc/77/08/99/1026770899.db2.gz SXWHJNSTWKAYOZ-AVRDEDQJSA-N 1 2 383.540 3.533 20 30 GHEDLO N#Cc1ccc2cc[nH+]c(N3CCO[C@@H]4C[C@@H](COc5ccccn5)C[C@H]43)c2c1 ZINC001166014149 1026893977 /nfs/dbraw/zinc/89/39/77/1026893977.db2.gz BYKXWQYHKRPQMF-IOMROCGXSA-N 1 2 386.455 3.564 20 30 GHEDLO N#Cc1ccc2cc[nH+]c(N3CCCC[C@@]34CC(=O)N(Cc3cccnc3)C4)c2c1 ZINC001166092123 1026916070 /nfs/dbraw/zinc/91/60/70/1026916070.db2.gz SOGMJFXFMNFKOK-DEOSSOPVSA-N 1 2 397.482 3.663 20 30 GHEDLO Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)N2c1[nH+]ccc2[nH]cc(C#N)c21 ZINC001166879147 1027129285 /nfs/dbraw/zinc/12/92/85/1027129285.db2.gz OVRXARRNVNAPCU-SJPCQFCGSA-N 1 2 375.480 3.830 20 30 GHEDLO Cc1cc(C#N)ccc1Nc1cncnc1[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001210374583 1027476180 /nfs/dbraw/zinc/47/61/80/1027476180.db2.gz NQSPXSBKIJIMSC-QFIPXVFZSA-N 1 2 385.471 3.974 20 30 GHEDLO Cc1cc(C#N)ccc1Nc1cncnc1[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001210374583 1027476190 /nfs/dbraw/zinc/47/61/90/1027476190.db2.gz NQSPXSBKIJIMSC-QFIPXVFZSA-N 1 2 385.471 3.974 20 30 GHEDLO COc1cc(C[NH2+]Cc2nc(C#N)cs2)cc(OC)c1OCc1ccccc1 ZINC001203857216 1027664755 /nfs/dbraw/zinc/66/47/55/1027664755.db2.gz WIOHSROAVVQOLC-UHFFFAOYSA-N 1 2 395.484 3.901 20 30 GHEDLO CSc1nc(C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C)ccc1C#N ZINC001141945684 1027725304 /nfs/dbraw/zinc/72/53/04/1027725304.db2.gz IXMUINAAVNKORV-CZUORRHYSA-N 1 2 376.526 3.553 20 30 GHEDLO CSc1nc(C[N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C)ccc1C#N ZINC001141945684 1027725321 /nfs/dbraw/zinc/72/53/21/1027725321.db2.gz IXMUINAAVNKORV-CZUORRHYSA-N 1 2 376.526 3.553 20 30 GHEDLO N#Cc1ccc(Nc2cncnc2[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1F ZINC001204028261 1027821007 /nfs/dbraw/zinc/82/10/07/1027821007.db2.gz KSIWQAIBCWOKCE-OAQYLSRUSA-N 1 2 389.434 3.804 20 30 GHEDLO N#Cc1ccc(Nc2cncnc2[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1F ZINC001204028261 1027821031 /nfs/dbraw/zinc/82/10/31/1027821031.db2.gz KSIWQAIBCWOKCE-OAQYLSRUSA-N 1 2 389.434 3.804 20 30 GHEDLO C=CCOC[C@@H]1C[N@@H+](Cc2ccc(CCC)cc2)Cc2nnn(CC3CC3)c21 ZINC001142359315 1028742998 /nfs/dbraw/zinc/74/29/98/1028742998.db2.gz JTVSTGWCOVHYGN-NRFANRHFSA-N 1 2 380.536 3.943 20 30 GHEDLO C=CCOC[C@@H]1C[N@H+](Cc2ccc(CCC)cc2)Cc2nnn(CC3CC3)c21 ZINC001142359315 1028743015 /nfs/dbraw/zinc/74/30/15/1028743015.db2.gz JTVSTGWCOVHYGN-NRFANRHFSA-N 1 2 380.536 3.943 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(C)c(Cl)c1Cl)C2 ZINC001276717419 1029029049 /nfs/dbraw/zinc/02/90/49/1029029049.db2.gz ASGGMWNHHFVGHM-FQEVSTJZSA-N 1 2 397.346 3.929 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccc(C)c(Cl)c1Cl)C2 ZINC001276717419 1029029063 /nfs/dbraw/zinc/02/90/63/1029029063.db2.gz ASGGMWNHHFVGHM-FQEVSTJZSA-N 1 2 397.346 3.929 20 30 GHEDLO Cc1cc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cc(NC(=O)OC(C)(C)C)c1 ZINC000842159248 1029116098 /nfs/dbraw/zinc/11/60/98/1029116098.db2.gz ZRKNUYIEEFTCBI-LJQANCHMSA-N 1 2 394.475 3.530 20 30 GHEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+]2CC3(C[C@@H]2C)CCOCC3)c1=S ZINC000842637011 1029441831 /nfs/dbraw/zinc/44/18/31/1029441831.db2.gz IFNCHDGGEAAURT-INIZCTEOSA-N 1 2 385.537 3.511 20 30 GHEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+]2CC3(C[C@@H]2C)CCOCC3)c1=S ZINC000842637011 1029441837 /nfs/dbraw/zinc/44/18/37/1029441837.db2.gz IFNCHDGGEAAURT-INIZCTEOSA-N 1 2 385.537 3.511 20 30 GHEDLO C[NH+]1CCN(c2ccc(-c3nc(-c4cc(F)cc(C#N)c4)no3)cc2Cl)CC1 ZINC001217010018 1030083106 /nfs/dbraw/zinc/08/31/06/1030083106.db2.gz WTCSFKBKPXLIJI-UHFFFAOYSA-N 1 2 397.841 3.820 20 30 GHEDLO C=CCOc1ccc(C(=O)N2CC[NH2+][C@H](c3ccc(Cl)cc3)C2)cc1OC ZINC001149523114 1030206406 /nfs/dbraw/zinc/20/64/06/1030206406.db2.gz HBCKAMXOZJBBPP-SFHVURJKSA-N 1 2 386.879 3.700 20 30 GHEDLO N#CCCCNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(Cl)c(F)c1F)CC2 ZINC001277017196 1031239595 /nfs/dbraw/zinc/23/95/95/1031239595.db2.gz KMPQXTLUPILRPR-CQSZACIVSA-N 1 2 381.854 3.640 20 30 GHEDLO C[C@H](Nc1cc(N2CCN(c3ccccc3)CC2)nc[nH+]1)c1cccc(C#N)c1 ZINC001156876330 1033298073 /nfs/dbraw/zinc/29/80/73/1033298073.db2.gz TZGHKSDNRKKKHX-SFHVURJKSA-N 1 2 384.487 3.848 20 30 GHEDLO C[C@H](Nc1cc(N2CCN(c3ccccc3)CC2)[nH+]cn1)c1cccc(C#N)c1 ZINC001156876330 1033298088 /nfs/dbraw/zinc/29/80/88/1033298088.db2.gz TZGHKSDNRKKKHX-SFHVURJKSA-N 1 2 384.487 3.848 20 30 GHEDLO N#Cc1cc(C[N@@H+]2CCO[C@]3(CCC[C@@H]3COCc3ccccn3)C2)ccc1F ZINC001205473350 1033429141 /nfs/dbraw/zinc/42/91/41/1033429141.db2.gz WLCHQICPBARGIM-NFBKMPQASA-N 1 2 395.478 3.680 20 30 GHEDLO N#Cc1cc(C[N@H+]2CCO[C@]3(CCC[C@@H]3COCc3ccccn3)C2)ccc1F ZINC001205473350 1033429148 /nfs/dbraw/zinc/42/91/48/1033429148.db2.gz WLCHQICPBARGIM-NFBKMPQASA-N 1 2 395.478 3.680 20 30 GHEDLO Cc1nc(O[C@H](C)C(=O)OCCC(C)C)c(C#N)cc1-c1ccc2[nH+]ccn2c1 ZINC001229768471 1033699509 /nfs/dbraw/zinc/69/95/09/1033699509.db2.gz MVJXKLVHVHPNSF-MRXNPFEDSA-N 1 2 392.459 3.933 20 30 GHEDLO C=C(C)CNC(=O)[C@H]1CC12CC[NH+](Cc1c(C)cc(Cl)nc1Cl)CC2 ZINC001277510498 1034547588 /nfs/dbraw/zinc/54/75/88/1034547588.db2.gz OMDJBVQXFHEKQI-OAHLLOKOSA-N 1 2 382.335 3.991 20 30 GHEDLO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ncc(Br)cc1F)CC2 ZINC001231986512 1035024705 /nfs/dbraw/zinc/02/47/05/1035024705.db2.gz BVZLFTXCEIELKG-SFHVURJKSA-N 1 2 396.304 3.516 20 30 GHEDLO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1ncc(Br)cc1F)CC2 ZINC001231986512 1035024715 /nfs/dbraw/zinc/02/47/15/1035024715.db2.gz BVZLFTXCEIELKG-SFHVURJKSA-N 1 2 396.304 3.516 20 30 GHEDLO N#Cc1ccc(C[N@H+]2Cc3cncn3C[C@@H](COc3ccccn3)C2)cc1Cl ZINC001232120716 1035107842 /nfs/dbraw/zinc/10/78/42/1035107842.db2.gz XDKHVZISOYTMHJ-KRWDZBQOSA-N 1 2 393.878 3.514 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2Cc3cncn3C[C@@H](COc3ccccn3)C2)cc1Cl ZINC001232120716 1035107847 /nfs/dbraw/zinc/10/78/47/1035107847.db2.gz XDKHVZISOYTMHJ-KRWDZBQOSA-N 1 2 393.878 3.514 20 30 GHEDLO COc1ccc(Cn2c[nH+]cc2CNc2nc(-c3ccncc3)ccc2C#N)cc1 ZINC001161509925 1035244856 /nfs/dbraw/zinc/24/48/56/1035244856.db2.gz FJDYVSNHRMMYAR-UHFFFAOYSA-N 1 2 396.454 3.881 20 30 GHEDLO N#CC1(c2ccccc2-c2cc(F)ccc2C[NH+]2CCOCC2)CCOCC1 ZINC001243101353 1036034302 /nfs/dbraw/zinc/03/43/02/1036034302.db2.gz QTCJEJYVJHADGB-UHFFFAOYSA-N 1 2 380.463 3.897 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2cc(C#N)ccn2)[C@H](Cc2ccccc2)C1 ZINC001232478705 1038261320 /nfs/dbraw/zinc/26/13/20/1038261320.db2.gz JUJKKFPHQUOLPF-OAQYLSRUSA-N 1 2 392.503 3.617 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2cc(C#N)ccn2)[C@H](Cc2ccccc2)C1 ZINC001232478705 1038261337 /nfs/dbraw/zinc/26/13/37/1038261337.db2.gz JUJKKFPHQUOLPF-OAQYLSRUSA-N 1 2 392.503 3.617 20 30 GHEDLO N#Cc1ccccc1N1CC[NH+](Cc2cc(OCc3ccccc3)ccn2)CC1 ZINC001232585979 1038356893 /nfs/dbraw/zinc/35/68/93/1038356893.db2.gz SHTJKAWAYGAUEE-UHFFFAOYSA-N 1 2 384.483 3.854 20 30 GHEDLO COc1ccccc1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC001232608093 1038392349 /nfs/dbraw/zinc/39/23/49/1038392349.db2.gz DNLKYQUEUVZVJK-UHFFFAOYSA-N 1 2 383.879 3.615 20 30 GHEDLO N#Cc1ccc(O)c(C[NH+]2CCN(c3ccc(C(F)(F)F)c(Cl)n3)CC2)c1 ZINC001232679850 1038476586 /nfs/dbraw/zinc/47/65/86/1038476586.db2.gz TXEUVEBQCVEMLG-UHFFFAOYSA-N 1 2 396.800 3.653 20 30 GHEDLO C#C[C@H]([NH2+]Cc1ncc(Br)cc1O)c1ccc(Br)cc1 ZINC001462277059 1070137717 /nfs/dbraw/zinc/13/77/17/1070137717.db2.gz JANFTMRFYQWVGX-ZDUSSCGKSA-N 1 2 396.082 3.776 20 30 GHEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3ccc(C(F)(F)F)nc3Cl)CC2)nc1 ZINC001232792425 1038559309 /nfs/dbraw/zinc/55/93/09/1038559309.db2.gz FWFADNOINHOEMJ-UHFFFAOYSA-N 1 2 395.816 3.733 20 30 GHEDLO N#Cc1ccc(N2CCC[N@H+](Cc3ccc(C(F)(F)F)nc3Cl)CC2)nc1 ZINC001232792425 1038559311 /nfs/dbraw/zinc/55/93/11/1038559311.db2.gz FWFADNOINHOEMJ-UHFFFAOYSA-N 1 2 395.816 3.733 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C[C@@H]1C(F)(F)F ZINC001232845211 1038596459 /nfs/dbraw/zinc/59/64/59/1038596459.db2.gz PDZSDYMZPADMIA-UONOGXRCSA-N 1 2 389.443 3.897 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1C(F)(F)F ZINC001232845211 1038596464 /nfs/dbraw/zinc/59/64/64/1038596464.db2.gz PDZSDYMZPADMIA-UONOGXRCSA-N 1 2 389.443 3.897 20 30 GHEDLO N#Cc1ccc(F)cc1CN1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001232889180 1038669870 /nfs/dbraw/zinc/66/98/70/1038669870.db2.gz CZGHUVPPHXKOCC-UHFFFAOYSA-N 1 2 397.469 3.703 20 30 GHEDLO N#Cc1ccc(F)cc1CN1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001232889180 1038669993 /nfs/dbraw/zinc/66/99/93/1038669993.db2.gz CZGHUVPPHXKOCC-UHFFFAOYSA-N 1 2 397.469 3.703 20 30 GHEDLO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)c(F)c1C#N ZINC001233097610 1038871046 /nfs/dbraw/zinc/87/10/46/1038871046.db2.gz XVDZTQCYHJGDFY-MRXNPFEDSA-N 1 2 390.503 3.643 20 30 GHEDLO CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)c(F)c1C#N ZINC001233097610 1038871074 /nfs/dbraw/zinc/87/10/74/1038871074.db2.gz XVDZTQCYHJGDFY-MRXNPFEDSA-N 1 2 390.503 3.643 20 30 GHEDLO CC(C)Oc1ncc(Cl)cc1C[N@@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001233167221 1038939831 /nfs/dbraw/zinc/93/98/31/1038939831.db2.gz OHZCOVFKFDEQOZ-UHFFFAOYSA-N 1 2 385.899 3.501 20 30 GHEDLO CC(C)Oc1ncc(Cl)cc1C[N@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001233167221 1038939836 /nfs/dbraw/zinc/93/98/36/1038939836.db2.gz OHZCOVFKFDEQOZ-UHFFFAOYSA-N 1 2 385.899 3.501 20 30 GHEDLO C=CC[C@H]1CCCC[C@H]1NC(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001252971243 1039305430 /nfs/dbraw/zinc/30/54/30/1039305430.db2.gz PGWCBMFAOMRHFI-PZJWPPBQSA-N 1 2 385.552 3.966 20 30 GHEDLO COC(=O)C1=C[C@@H](Oc2c(Cl)cccc2C#N)C[N@H+](Cc2ccccc2)C1 ZINC001233548997 1039431237 /nfs/dbraw/zinc/43/12/37/1039431237.db2.gz ASVYVBAIOIETQN-GOSISDBHSA-N 1 2 382.847 3.574 20 30 GHEDLO COC(=O)C1=C[C@@H](Oc2c(Cl)cccc2C#N)C[N@@H+](Cc2ccccc2)C1 ZINC001233548997 1039431242 /nfs/dbraw/zinc/43/12/42/1039431242.db2.gz ASVYVBAIOIETQN-GOSISDBHSA-N 1 2 382.847 3.574 20 30 GHEDLO C=CCCCCCC[C@H](O)CNc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001253243945 1039500393 /nfs/dbraw/zinc/50/03/93/1039500393.db2.gz CWZPXMJLEFGXAL-NRFANRHFSA-N 1 2 376.541 3.697 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC2(C1)CCC([N@@H+]1CC[C@H]3SC(=O)C=C3C1)CC2 ZINC001254877221 1040622908 /nfs/dbraw/zinc/62/29/08/1040622908.db2.gz FLQYMWZRGNHYEN-BQIYRTECSA-N 1 2 392.565 3.830 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC2(C1)CCC([N@H+]1CC[C@H]3SC(=O)C=C3C1)CC2 ZINC001254877221 1040622924 /nfs/dbraw/zinc/62/29/24/1040622924.db2.gz FLQYMWZRGNHYEN-BQIYRTECSA-N 1 2 392.565 3.830 20 30 GHEDLO C=CCOC(=O)[C@@H](Cc1ccc(OC(C)(C)C)cc1)[NH2+]C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254943059 1040682016 /nfs/dbraw/zinc/68/20/16/1040682016.db2.gz KQPWIXGGFNGLOE-JBYIUTFZSA-N 1 2 399.531 3.852 20 30 GHEDLO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3c(F)cc(C#N)cc3F)C[C@H]12 ZINC001235654688 1041101216 /nfs/dbraw/zinc/10/12/16/1041101216.db2.gz PVWXUIVYBIDXNU-XZOQPEGZSA-N 1 2 395.453 3.601 20 30 GHEDLO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@@H+](Cc3c(F)cc(C#N)cc3F)C[C@H]12 ZINC001235654688 1041101250 /nfs/dbraw/zinc/10/12/50/1041101250.db2.gz PVWXUIVYBIDXNU-XZOQPEGZSA-N 1 2 395.453 3.601 20 30 GHEDLO C[C@](O)(C1CC[NH+](Cc2ccc(C#N)c(Br)c2)CC1)C(F)(F)F ZINC001236860394 1041931736 /nfs/dbraw/zinc/93/17/36/1041931736.db2.gz HLSUTHQPCCDKCO-HNNXBMFYSA-N 1 2 391.231 3.846 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(O)cc(Br)c1 ZINC001278030550 1041966322 /nfs/dbraw/zinc/96/63/22/1041966322.db2.gz MLCQDNFRVPFHOC-LJQANCHMSA-N 1 2 393.325 3.688 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(O)cc(Br)c1 ZINC001278030550 1041966324 /nfs/dbraw/zinc/96/63/24/1041966324.db2.gz MLCQDNFRVPFHOC-LJQANCHMSA-N 1 2 393.325 3.688 20 30 GHEDLO COc1cc(C)ccc1OC1CC[NH+](Cc2cn3cc(C#N)ccc3n2)CC1 ZINC001237606906 1042278824 /nfs/dbraw/zinc/27/88/24/1042278824.db2.gz QFFVCIKFOVKPTD-UHFFFAOYSA-N 1 2 376.460 3.566 20 30 GHEDLO N#Cc1ccc(Br)c(C[NH+]2CC(c3nc(-c4ccccc4)no3)C2)c1 ZINC001462602816 1070406936 /nfs/dbraw/zinc/40/69/36/1070406936.db2.gz HPGCEUFMQKABEL-UHFFFAOYSA-N 1 2 395.260 3.970 20 30 GHEDLO Cn1ncc2c1C[N@H+](Cc1cc(Cl)cc(C#N)c1)C[C@@H]2COc1cccnc1 ZINC001237749123 1042351803 /nfs/dbraw/zinc/35/18/03/1042351803.db2.gz QCWMDCCXKXCOIN-QGZVFWFLSA-N 1 2 393.878 3.519 20 30 GHEDLO Cn1ncc2c1C[N@@H+](Cc1cc(Cl)cc(C#N)c1)C[C@@H]2COc1cccnc1 ZINC001237749123 1042351809 /nfs/dbraw/zinc/35/18/09/1042351809.db2.gz QCWMDCCXKXCOIN-QGZVFWFLSA-N 1 2 393.878 3.519 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](Cc3ccccc3Oc3cnccn3)CC2)c(F)c1 ZINC001238020874 1042462211 /nfs/dbraw/zinc/46/22/11/1042462211.db2.gz VVOCRZUKYCOLRS-UHFFFAOYSA-N 1 2 389.434 3.602 20 30 GHEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(OCC)c2)C1 ZINC001238255714 1042534531 /nfs/dbraw/zinc/53/45/31/1042534531.db2.gz XILJVIJGIQUPHS-MRXNPFEDSA-N 1 2 397.313 3.724 20 30 GHEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Br)cc(OCC)c2)C1 ZINC001238255714 1042534536 /nfs/dbraw/zinc/53/45/36/1042534536.db2.gz XILJVIJGIQUPHS-MRXNPFEDSA-N 1 2 397.313 3.724 20 30 GHEDLO N#C[C@H]1CCC[N@@H+](Cc2cc3cncc(I)c3o2)CC1 ZINC001238261217 1042536140 /nfs/dbraw/zinc/53/61/40/1042536140.db2.gz YLPUUJMZKWJRCK-NSHDSACASA-N 1 2 381.217 3.558 20 30 GHEDLO N#C[C@H]1CCC[N@H+](Cc2cc3cncc(I)c3o2)CC1 ZINC001238261217 1042536142 /nfs/dbraw/zinc/53/61/42/1042536142.db2.gz YLPUUJMZKWJRCK-NSHDSACASA-N 1 2 381.217 3.558 20 30 GHEDLO Cn1cc(C[NH+]2CC3(CN(CCc4c(Cl)cccc4Cl)C3)C2)cc1C#N ZINC001278231922 1042593627 /nfs/dbraw/zinc/59/36/27/1042593627.db2.gz NTZRHEILQUBSCR-UHFFFAOYSA-N 1 2 389.330 3.564 20 30 GHEDLO Cc1cc(Oc2ccc(NS(=O)(=O)Cc3ccc(C#N)cc3)cc2)cc[nH+]1 ZINC001260044842 1045369958 /nfs/dbraw/zinc/36/99/58/1045369958.db2.gz NFRMXLZZUKZEBO-UHFFFAOYSA-N 1 2 379.441 3.996 20 30 GHEDLO C=CC1CCN(c2nnc(C)n2Cc2ccc(N3CCCCCC3)[nH+]c2)CC1 ZINC001301108850 1046345785 /nfs/dbraw/zinc/34/57/85/1046345785.db2.gz BCTYIRSHZSJDCO-UHFFFAOYSA-N 1 2 380.540 3.813 20 30 GHEDLO C=CC1CCN(c2nnc(-c3ccccc3F)n2Cc2c[nH+]ccc2OC)CC1 ZINC001301119265 1046354754 /nfs/dbraw/zinc/35/47/54/1046354754.db2.gz BZJPXBJTBMDAET-UHFFFAOYSA-N 1 2 393.466 3.939 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC001263304984 1046702511 /nfs/dbraw/zinc/70/25/11/1046702511.db2.gz OEYVPIGMQLGQDK-AQNXPRMDSA-N 1 2 398.555 3.692 20 30 GHEDLO CC(C)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001301953105 1046759214 /nfs/dbraw/zinc/75/92/14/1046759214.db2.gz QFIIGJGTSOYYPI-SFHVURJKSA-N 1 2 395.555 3.821 20 30 GHEDLO N#CCC1CN(C(=O)[C@@H]2CCC3(C2)CC[NH+](Cc2csc(Cl)n2)CC3)C1 ZINC001279854438 1047969942 /nfs/dbraw/zinc/96/99/42/1047969942.db2.gz FNQRHNCSPXTSCM-OAHLLOKOSA-N 1 2 392.956 3.551 20 30 GHEDLO CC(C)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001287176855 1048624853 /nfs/dbraw/zinc/62/48/53/1048624853.db2.gz OPHZETIXFXUBAF-KRWDZBQOSA-N 1 2 381.528 3.573 20 30 GHEDLO C=C(C)CC[NH+]1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001307413075 1049254144 /nfs/dbraw/zinc/25/41/44/1049254144.db2.gz JOXLTPKHQXPALM-UHFFFAOYSA-N 1 2 396.862 3.631 20 30 GHEDLO N#Cc1ccccc1CSCCNC(=O)c1c[nH+]ccc1Nc1ccccc1 ZINC001290253006 1049778411 /nfs/dbraw/zinc/77/84/11/1049778411.db2.gz PIUSFVSNIWJVHS-UHFFFAOYSA-N 1 2 388.496 3.782 20 30 GHEDLO COc1ccc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1C(C)(C)C ZINC001308673220 1050055022 /nfs/dbraw/zinc/05/50/22/1050055022.db2.gz WOJOBTVTDMKDMW-AEFFLSMTSA-N 1 2 387.524 3.841 20 30 GHEDLO C#C[C@@H](NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccc(Cl)cc1F ZINC001330715349 1051081644 /nfs/dbraw/zinc/08/16/44/1051081644.db2.gz MHBZLEDNZWGWML-RDTXWAMCSA-N 1 2 388.874 3.551 20 30 GHEDLO N#Cc1cc(F)cc(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)c1 ZINC001311104666 1051860332 /nfs/dbraw/zinc/86/03/32/1051860332.db2.gz XZVAULAVIKIZLN-VQTJNVASSA-N 1 2 375.407 3.944 20 30 GHEDLO C[N@@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@H](CC#N)C2)n1Cc1cccs1 ZINC001343637411 1053941017 /nfs/dbraw/zinc/94/10/17/1053941017.db2.gz VZOCRXJULLJLNF-SJLPKXTDSA-N 1 2 384.553 3.675 20 30 GHEDLO C[N@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@H](CC#N)C2)n1Cc1cccs1 ZINC001343637411 1053941018 /nfs/dbraw/zinc/94/10/18/1053941018.db2.gz VZOCRXJULLJLNF-SJLPKXTDSA-N 1 2 384.553 3.675 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@H](OC2CCC2)CC1 ZINC001343767703 1054010672 /nfs/dbraw/zinc/01/06/72/1054010672.db2.gz GNBPORPDRYFNBD-PMACEKPBSA-N 1 2 387.572 3.939 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@H](OC2CCC2)CC1 ZINC001343767703 1054010687 /nfs/dbraw/zinc/01/06/87/1054010687.db2.gz GNBPORPDRYFNBD-PMACEKPBSA-N 1 2 387.572 3.939 20 30 GHEDLO C=CC1CCN(c2nnc([C@@H](CC(C)C)n3cc[nH+]c3)n2C[C@@H]2CCCO2)CC1 ZINC001345340363 1054994530 /nfs/dbraw/zinc/99/45/30/1054994530.db2.gz MJPWQGNHZLJHDT-VQTJNVASSA-N 1 2 398.555 3.692 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC001354494271 1056713792 /nfs/dbraw/zinc/71/37/92/1056713792.db2.gz IVRWRUHBLGXJJF-CYBMUJFWSA-N 1 2 389.550 3.778 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3F)n2CCC(C)(C)C2CC2)CC1 ZINC001300692462 1056889923 /nfs/dbraw/zinc/88/99/23/1056889923.db2.gz FYAFVPNUYLEOJN-UHFFFAOYSA-N 1 2 395.526 3.666 20 30 GHEDLO C#C[C@]1(C)CCCN1c1nnc([C@@H](C)CC)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001300779686 1057015743 /nfs/dbraw/zinc/01/57/43/1057015743.db2.gz DICRBEDASVSUMK-SGXKBVARSA-N 1 2 380.540 3.866 20 30 GHEDLO C#C[C@]1(C)CCCN1c1nnc(C(C)C)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001300780740 1057017422 /nfs/dbraw/zinc/01/74/22/1057017422.db2.gz VOZJNAOPOGECCI-HSZRJFAPSA-N 1 2 392.551 3.827 20 30 GHEDLO Cn1c([C@H]2CCCC[N@@H+]2Cc2ccccc2)nnc1N1CCC[C@H](CC#N)C1 ZINC001355552897 1057210645 /nfs/dbraw/zinc/21/06/45/1057210645.db2.gz ISYYWSGJHCBBBV-WOJBJXKFSA-N 1 2 378.524 3.672 20 30 GHEDLO Cn1c([C@H]2CCCC[N@H+]2Cc2ccccc2)nnc1N1CCC[C@H](CC#N)C1 ZINC001355552897 1057210650 /nfs/dbraw/zinc/21/06/50/1057210650.db2.gz ISYYWSGJHCBBBV-WOJBJXKFSA-N 1 2 378.524 3.672 20 30 GHEDLO C=CCN(Cc1ccccc1F)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001355767775 1057271768 /nfs/dbraw/zinc/27/17/68/1057271768.db2.gz MGSLRWIQMVSTBN-UHFFFAOYSA-N 1 2 380.379 3.748 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3csc(C4CCCC4)n3)CC2)cc1 ZINC001440424527 1058515163 /nfs/dbraw/zinc/51/51/63/1058515163.db2.gz VWNAQXHSSNIDJS-UHFFFAOYSA-N 1 2 394.544 3.559 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC001339541307 1059288651 /nfs/dbraw/zinc/28/86/51/1059288651.db2.gz CUAKIYFRWKKRFD-MPGHIAIKSA-N 1 2 383.462 3.790 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC001339541307 1059288668 /nfs/dbraw/zinc/28/86/68/1059288668.db2.gz CUAKIYFRWKKRFD-MPGHIAIKSA-N 1 2 383.462 3.790 20 30 GHEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+](C)[C@H]2CC[C@H](SC)C2)c1=S ZINC001339603712 1059337344 /nfs/dbraw/zinc/33/73/44/1059337344.db2.gz DZUXRHZDYMVESU-HOTGVXAUSA-N 1 2 375.567 3.835 20 30 GHEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+](C)[C@H]2CC[C@H](SC)C2)c1=S ZINC001339603712 1059337378 /nfs/dbraw/zinc/33/73/78/1059337378.db2.gz DZUXRHZDYMVESU-HOTGVXAUSA-N 1 2 375.567 3.835 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCc2ccsc2[C@H]1C ZINC001340152298 1059729373 /nfs/dbraw/zinc/72/93/73/1059729373.db2.gz MRMZKSMEYBMIRI-OAHLLOKOSA-N 1 2 384.553 3.576 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC[C@]2(CC2(F)F)C1 ZINC001340640978 1060013114 /nfs/dbraw/zinc/01/31/14/1060013114.db2.gz KZBMOLFNTBEOSK-QAPCUYQASA-N 1 2 376.455 3.532 20 30 GHEDLO CCCN(CC)c1nnc(C2CC[NH+](CCC#N)CC2)n1Cc1ccccc1 ZINC001340785586 1060125441 /nfs/dbraw/zinc/12/54/41/1060125441.db2.gz JJTOPAJJOWUBLB-UHFFFAOYSA-N 1 2 380.540 3.656 20 30 GHEDLO C[N@@H+]1CCCC[C@@H]1c1nnc(N2Cc3cccc(C#N)c3C2)n1Cc1ccccc1 ZINC001341151078 1060453768 /nfs/dbraw/zinc/45/37/68/1060453768.db2.gz XLVPMXGMKDDNHI-JOCHJYFZSA-N 1 2 398.514 3.875 20 30 GHEDLO C[N@H+]1CCCC[C@@H]1c1nnc(N2Cc3cccc(C#N)c3C2)n1Cc1ccccc1 ZINC001341151078 1060453771 /nfs/dbraw/zinc/45/37/71/1060453771.db2.gz XLVPMXGMKDDNHI-JOCHJYFZSA-N 1 2 398.514 3.875 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC[C@@]2(C1)CCCOC2 ZINC001341932340 1060957356 /nfs/dbraw/zinc/95/73/56/1060957356.db2.gz WOLXFIMAMYBDLA-DENIHFKCSA-N 1 2 398.555 3.693 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCCC[C@@H](C2CCOCC2)C1 ZINC001342006151 1060993051 /nfs/dbraw/zinc/99/30/51/1060993051.db2.gz WTIJSTVDCDRHGS-UXHICEINSA-N 1 2 387.572 3.654 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCCC[C@@H](C2CCOCC2)C1 ZINC001342006151 1060993052 /nfs/dbraw/zinc/99/30/52/1060993052.db2.gz WTIJSTVDCDRHGS-UXHICEINSA-N 1 2 387.572 3.654 20 30 GHEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC[C@H]1c1ccccc1 ZINC001342018703 1060998738 /nfs/dbraw/zinc/99/87/38/1060998738.db2.gz GIQDXIUIIJFQFD-VQTJNVASSA-N 1 2 381.524 3.587 20 30 GHEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC[C@H]1c1ccccc1 ZINC001342018703 1060998748 /nfs/dbraw/zinc/99/87/48/1060998748.db2.gz GIQDXIUIIJFQFD-VQTJNVASSA-N 1 2 381.524 3.587 20 30 GHEDLO C=CCn1cnn(C[N@H+]2CCC[C@H](C)[C@H]2CCNC(=O)OC(C)(C)C)c1=S ZINC001346128202 1061385946 /nfs/dbraw/zinc/38/59/46/1061385946.db2.gz PWGJFYZDJUNCFD-JKSUJKDBSA-N 1 2 395.573 3.573 20 30 GHEDLO C=CCn1cnn(C[N@@H+]2CCC[C@H](C)[C@H]2CCNC(=O)OC(C)(C)C)c1=S ZINC001346128202 1061385966 /nfs/dbraw/zinc/38/59/66/1061385966.db2.gz PWGJFYZDJUNCFD-JKSUJKDBSA-N 1 2 395.573 3.573 20 30 GHEDLO CC(C)(C)Oc1cccc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 ZINC001459692637 1064172939 /nfs/dbraw/zinc/17/29/39/1064172939.db2.gz PTRGJDIYLUCLEO-UHFFFAOYSA-N 1 2 380.492 3.923 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC(C)(COC)CC1 ZINC001351948919 1064725690 /nfs/dbraw/zinc/72/56/90/1064725690.db2.gz LDIXGNSRUWNRKI-IBGZPJMESA-N 1 2 397.567 3.910 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC(C)(COC)CC1 ZINC001351948919 1064725705 /nfs/dbraw/zinc/72/57/05/1064725705.db2.gz LDIXGNSRUWNRKI-IBGZPJMESA-N 1 2 397.567 3.910 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCc2ccsc2C1 ZINC001351980693 1064745136 /nfs/dbraw/zinc/74/51/36/1064745136.db2.gz IPCMLZNRWANGKF-QGZVFWFLSA-N 1 2 382.537 3.920 20 30 GHEDLO Cc1cc(CNC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cc(C)[nH+]1 ZINC001465987549 1065947100 /nfs/dbraw/zinc/94/71/00/1065947100.db2.gz AOCLUIVGWVAZAR-UHFFFAOYSA-N 1 2 380.839 3.731 20 30 GHEDLO C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1CCCc1cccc(C)[nH+]1 ZINC001358894926 1067601707 /nfs/dbraw/zinc/60/17/07/1067601707.db2.gz ZNSZDQOVVDYLFO-KRWDZBQOSA-N 1 2 379.533 3.725 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccsc3)n2CC2(CC(C)C)CC2)CC1 ZINC001359037686 1067660518 /nfs/dbraw/zinc/66/05/18/1067660518.db2.gz SSAFKTJYHOZBKL-UHFFFAOYSA-N 1 2 397.592 3.512 20 30 GHEDLO C#C[C@]1(C)CCCN1c1nnc(CC(C)C)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001359071410 1067671683 /nfs/dbraw/zinc/67/16/83/1067671683.db2.gz OUYHWAVPAUNBEL-HSZRJFAPSA-N 1 2 392.551 3.512 20 30 GHEDLO C=C(C)COc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c1 ZINC001359822531 1068205808 /nfs/dbraw/zinc/20/58/08/1068205808.db2.gz KNTMWMUCKDHGBU-UHFFFAOYSA-N 1 2 378.388 3.988 20 30 GHEDLO C=CCCCN(CC)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC001478351604 1078827049 /nfs/dbraw/zinc/82/70/49/1078827049.db2.gz GEJPHYNGFGFFII-OALUTQOASA-N 1 2 379.932 3.709 20 30 GHEDLO C=CCCCN(CC)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC001478351604 1078827060 /nfs/dbraw/zinc/82/70/60/1078827060.db2.gz GEJPHYNGFGFFII-OALUTQOASA-N 1 2 379.932 3.709 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C(C)(C)CC1 ZINC001460650711 1069057765 /nfs/dbraw/zinc/05/77/65/1069057765.db2.gz LRYCFNVTPCLAKG-UHFFFAOYSA-N 1 2 388.468 3.688 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C(C)(C)CC1 ZINC001460650711 1069057779 /nfs/dbraw/zinc/05/77/79/1069057779.db2.gz LRYCFNVTPCLAKG-UHFFFAOYSA-N 1 2 388.468 3.688 20 30 GHEDLO C=CCCC[N@@H+](CC)CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC001460901107 1069264755 /nfs/dbraw/zinc/26/47/55/1069264755.db2.gz NZIDUGCZTVZOID-UHFFFAOYSA-N 1 2 376.456 3.689 20 30 GHEDLO C=CCCC[N@H+](CC)CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC001460901107 1069264777 /nfs/dbraw/zinc/26/47/77/1069264777.db2.gz NZIDUGCZTVZOID-UHFFFAOYSA-N 1 2 376.456 3.689 20 30 GHEDLO C=C1CCC(CNC(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)CC1 ZINC001471283247 1072997770 /nfs/dbraw/zinc/99/77/70/1072997770.db2.gz HAJVZNIQYLJPHG-UHFFFAOYSA-N 1 2 391.943 3.792 20 30 GHEDLO C[C@@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001472532779 1073535512 /nfs/dbraw/zinc/53/55/12/1073535512.db2.gz LZVGWHWROUUXMT-OAHLLOKOSA-N 1 2 383.411 3.890 20 30 GHEDLO C#CC1(O)CC[NH+](CC(=O)Nc2ccc(Sc3cc(C)ccc3C)cc2)CC1 ZINC001473671108 1074076882 /nfs/dbraw/zinc/07/68/82/1074076882.db2.gz BOFSWVZOYVVAMC-UHFFFAOYSA-N 1 2 394.540 3.853 20 30 GHEDLO COC(=O)c1ccc(COc2ccc(C[N@H+](C[C@@H](C)C#N)C3CC3)cc2OC)o1 ZINC001474359397 1074362290 /nfs/dbraw/zinc/36/22/90/1074362290.db2.gz SMGNOVLZRCHOOP-HNNXBMFYSA-N 1 2 398.459 3.778 20 30 GHEDLO COC(=O)c1ccc(COc2ccc(C[N@@H+](C[C@@H](C)C#N)C3CC3)cc2OC)o1 ZINC001474359397 1074362299 /nfs/dbraw/zinc/36/22/99/1074362299.db2.gz SMGNOVLZRCHOOP-HNNXBMFYSA-N 1 2 398.459 3.778 20 30 GHEDLO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 ZINC000613263147 837476685 /nfs/dbraw/zinc/47/66/85/837476685.db2.gz GSLUDNJLUCZIFO-CQSZACIVSA-N 1 2 393.472 3.959 20 30 GHEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000376511899 837758506 /nfs/dbraw/zinc/75/85/06/837758506.db2.gz PHFUBYNUEQTCOQ-RTWAWAEBSA-N 1 2 390.531 3.743 20 30 GHEDLO Cn1cc([C@@H]2CCN(C(=O)Nc3cccc(-c4[nH+]cc5n4CCCC5)c3)C2)cn1 ZINC000329633191 835477702 /nfs/dbraw/zinc/47/77/02/835477702.db2.gz SHEFGJXIWQFUMH-QGZVFWFLSA-N 1 2 390.491 3.655 20 30 GHEDLO N#Cc1cccc(-n2ccc(-c3nc(-c4cccc(-n5cc[nH+]c5)c4)no3)n2)c1 ZINC000584079001 835552281 /nfs/dbraw/zinc/55/22/81/835552281.db2.gz IYGAWEWGWAMQPY-UHFFFAOYSA-N 1 2 379.383 3.647 20 30 GHEDLO C=CCc1cc(C[N@H+](CC)CC(=O)Nc2c(F)cccc2F)cc(OC)c1O ZINC000179574788 835668083 /nfs/dbraw/zinc/66/80/83/835668083.db2.gz DUFMJCMLOXHGOD-UHFFFAOYSA-N 1 2 390.430 3.868 20 30 GHEDLO C=CCc1cc(C[N@@H+](CC)CC(=O)Nc2c(F)cccc2F)cc(OC)c1O ZINC000179574788 835668093 /nfs/dbraw/zinc/66/80/93/835668093.db2.gz DUFMJCMLOXHGOD-UHFFFAOYSA-N 1 2 390.430 3.868 20 30 GHEDLO C=CCn1c2nn(C[N@@H+]3CC[C@@H]4CCCC[C@@H]43)c(=S)n2c2ccccc2c1=O ZINC000159357599 835793781 /nfs/dbraw/zinc/79/37/81/835793781.db2.gz ALRWIQIMCWOPMQ-RDJZCZTQSA-N 1 2 395.532 3.588 20 30 GHEDLO C=CCn1c2nn(C[N@H+]3CC[C@@H]4CCCC[C@@H]43)c(=S)n2c2ccccc2c1=O ZINC000159357599 835793788 /nfs/dbraw/zinc/79/37/88/835793788.db2.gz ALRWIQIMCWOPMQ-RDJZCZTQSA-N 1 2 395.532 3.588 20 30 GHEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000179642002 835917686 /nfs/dbraw/zinc/91/76/86/835917686.db2.gz HPJFKEWBYZZAQC-MRXNPFEDSA-N 1 2 391.450 3.626 20 30 GHEDLO COc1ccccc1[C@H]1CC[C@H](C)C[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000510211873 836773626 /nfs/dbraw/zinc/77/36/26/836773626.db2.gz NMIJRIUQNKJLJC-LAUBAEHRSA-N 1 2 398.528 3.814 20 30 GHEDLO COc1ccccc1[C@H]1CC[C@H](C)C[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000510211873 836773636 /nfs/dbraw/zinc/77/36/36/836773636.db2.gz NMIJRIUQNKJLJC-LAUBAEHRSA-N 1 2 398.528 3.814 20 30 GHEDLO N#Cc1ccc(S(=O)(=O)Oc2cccc(-n3cc[nH+]c3)c2)cc1C(F)(F)F ZINC000177661650 836971208 /nfs/dbraw/zinc/97/12/08/836971208.db2.gz SSNCUOZTUDUTFJ-UHFFFAOYSA-N 1 2 393.346 3.530 20 30 GHEDLO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(COc3ccccc3)CC2)C1=O ZINC000177071336 837854269 /nfs/dbraw/zinc/85/42/69/837854269.db2.gz IDGMAQGBFBWJQO-LJQANCHMSA-N 1 2 381.501 3.516 20 30 GHEDLO Cc1sc(NC(=O)C[NH+]2CCC(Nc3ccc(F)cc3)CC2)c(C#N)c1C ZINC000177097947 837871535 /nfs/dbraw/zinc/87/15/35/837871535.db2.gz VUNMUVLVGYBVLB-UHFFFAOYSA-N 1 2 386.496 3.891 20 30 GHEDLO COc1ccc(-c2noc([C@@H](C)[NH+]3CCC(C#N)(c4ccccn4)CC3)n2)cc1 ZINC000376737083 838672753 /nfs/dbraw/zinc/67/27/53/838672753.db2.gz OLOJNTNYVNDMRP-MRXNPFEDSA-N 1 2 389.459 3.759 20 30 GHEDLO N#CCc1ccc(NC(=O)CNc2cccc3c2CN(c2cccc[nH+]2)C3)cc1 ZINC000378289326 838779945 /nfs/dbraw/zinc/77/99/45/838779945.db2.gz NIDKUISLTNFXQX-UHFFFAOYSA-N 1 2 383.455 3.718 20 30 GHEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000378422522 839085289 /nfs/dbraw/zinc/08/52/89/839085289.db2.gz BIENZJXJBHMIHO-FQEVSTJZSA-N 1 2 385.471 3.658 20 30 GHEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000378648681 839480215 /nfs/dbraw/zinc/48/02/15/839480215.db2.gz LQRWYHBNPVAHGR-KRWDZBQOSA-N 1 2 385.464 3.533 20 30 GHEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000378648681 839480219 /nfs/dbraw/zinc/48/02/19/839480219.db2.gz LQRWYHBNPVAHGR-KRWDZBQOSA-N 1 2 385.464 3.533 20 30 GHEDLO CC[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(C#N)c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543865568 839500135 /nfs/dbraw/zinc/50/01/35/839500135.db2.gz YSBFWLPMZIDIOV-IEBWSBKVSA-N 1 2 388.393 3.933 20 30 GHEDLO CC[N@H+]1CC[C@@H](NC(=O)Nc2cccc(C#N)c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543865568 839500143 /nfs/dbraw/zinc/50/01/43/839500143.db2.gz YSBFWLPMZIDIOV-IEBWSBKVSA-N 1 2 388.393 3.933 20 30 GHEDLO Cc1cc(CO[NH+]=C(N)c2ccc(CNC(=O)OC(C)(C)C)cc2)ccc1C#N ZINC000783047628 839933309 /nfs/dbraw/zinc/93/33/09/839933309.db2.gz IICTVOYQMRKPIX-UHFFFAOYSA-N 1 2 394.475 3.729 20 30 GHEDLO C[C@@H]1C[NH+](Cc2ccc(C(=O)[C@H](C#N)c3nc4ccccc4[nH]3)cc2)C[C@@H](C)O1 ZINC000580732818 840083434 /nfs/dbraw/zinc/08/34/34/840083434.db2.gz KNCWJUGUJHEGGQ-MDZRGWNJSA-N 1 2 388.471 3.662 20 30 GHEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000416765115 840109694 /nfs/dbraw/zinc/10/96/94/840109694.db2.gz CMENQDPAKSLMTF-UHFFFAOYSA-N 1 2 394.475 3.583 20 30 GHEDLO C[N@@H+](Cc1ccc(F)cc1C#N)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000511598583 840366729 /nfs/dbraw/zinc/36/67/29/840366729.db2.gz LPQUOCDCKVWLEK-KRWDZBQOSA-N 1 2 382.357 3.588 20 30 GHEDLO C[N@H+](Cc1ccc(F)cc1C#N)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000511598583 840366736 /nfs/dbraw/zinc/36/67/36/840366736.db2.gz LPQUOCDCKVWLEK-KRWDZBQOSA-N 1 2 382.357 3.588 20 30 GHEDLO C[C@@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000329258924 861211137 /nfs/dbraw/zinc/21/11/37/861211137.db2.gz DLNKFLSKCUXVNK-INIZCTEOSA-N 1 2 375.488 3.917 20 30 GHEDLO C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000329258924 861211153 /nfs/dbraw/zinc/21/11/53/861211153.db2.gz DLNKFLSKCUXVNK-INIZCTEOSA-N 1 2 375.488 3.917 20 30 GHEDLO C=CC[N@H+](CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)[C@@H](C)COC ZINC000661247075 841570423 /nfs/dbraw/zinc/57/04/23/841570423.db2.gz LZZNFXMTVHHBNW-RDJZCZTQSA-N 1 2 387.505 3.542 20 30 GHEDLO C=CC[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)[C@@H](C)COC ZINC000661247075 841570436 /nfs/dbraw/zinc/57/04/36/841570436.db2.gz LZZNFXMTVHHBNW-RDJZCZTQSA-N 1 2 387.505 3.542 20 30 GHEDLO C[C@H]1[C@H](C)[N@H+](CC#Cc2ccc(F)cc2)CCN1CC#Cc1ccc(F)cc1 ZINC000662225543 842970045 /nfs/dbraw/zinc/97/00/45/842970045.db2.gz VNNDNZMNEPKOKE-PMACEKPBSA-N 1 2 378.466 3.763 20 30 GHEDLO C[C@H]1[C@H](C)[N@@H+](CC#Cc2ccc(F)cc2)CCN1CC#Cc1ccc(F)cc1 ZINC000662225543 842970050 /nfs/dbraw/zinc/97/00/50/842970050.db2.gz VNNDNZMNEPKOKE-PMACEKPBSA-N 1 2 378.466 3.763 20 30 GHEDLO O=C(NCC#Cc1cccc(F)c1)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000549588958 843007287 /nfs/dbraw/zinc/00/72/87/843007287.db2.gz DONVYMQFLXSFSI-FGZHOGPDSA-N 1 2 388.446 3.602 20 30 GHEDLO CSc1cc2c(cc1C[NH+]1CCN(c3ccc(C#N)cc3F)CC1)OCCO2 ZINC000512236304 843171699 /nfs/dbraw/zinc/17/16/99/843171699.db2.gz GNGIMQJKNONQNE-UHFFFAOYSA-N 1 2 399.491 3.513 20 30 GHEDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CCO[C@H](C2CCCCC2)C1 ZINC000329413495 861389495 /nfs/dbraw/zinc/38/94/95/861389495.db2.gz FKXOESQDSFZQPU-SFHVURJKSA-N 1 2 392.569 3.956 20 30 GHEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl ZINC000500589424 843675303 /nfs/dbraw/zinc/67/53/03/843675303.db2.gz XTLXBMYMBTZOHF-IOASZLSFSA-N 1 2 389.286 3.842 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC(C)(C)[C@@H]3[C@@H]3CCCO3)n2)C1 ZINC000329456929 861460605 /nfs/dbraw/zinc/46/06/05/861460605.db2.gz QIXIZXPHKWUGML-PVAVHDDUSA-N 1 2 392.569 3.810 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC(C)(C)[C@@H]3[C@@H]3CCCO3)n2)C1 ZINC000329456929 861460610 /nfs/dbraw/zinc/46/06/10/861460610.db2.gz QIXIZXPHKWUGML-PVAVHDDUSA-N 1 2 392.569 3.810 20 30 GHEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc2nc(C(F)F)sc2c1 ZINC000329471698 861494698 /nfs/dbraw/zinc/49/46/98/861494698.db2.gz ZRLIRDLGBPVAGT-YPMHNXCESA-N 1 2 396.463 3.574 20 30 GHEDLO CC(C)C[C@@H](C)n1nccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000481485544 861501780 /nfs/dbraw/zinc/50/17/80/861501780.db2.gz YSRBRYQQDHYTDZ-GOSISDBHSA-N 1 2 394.523 3.712 20 30 GHEDLO N#Cc1cnc(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c(Cl)c1 ZINC000610907809 844836486 /nfs/dbraw/zinc/83/64/86/844836486.db2.gz PJIHQTCGVVPCNI-UHFFFAOYSA-N 1 2 389.286 3.608 20 30 GHEDLO N#Cc1cnc(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c(Cl)c1 ZINC000610907809 844836495 /nfs/dbraw/zinc/83/64/95/844836495.db2.gz PJIHQTCGVVPCNI-UHFFFAOYSA-N 1 2 389.286 3.608 20 30 GHEDLO CC(C)[N@H+](CC(=O)N1CCCCCC1)Cc1ccc(C#N)cc1OC(F)F ZINC000513231813 845070579 /nfs/dbraw/zinc/07/05/79/845070579.db2.gz KBHLKQKASSSIJN-UHFFFAOYSA-N 1 2 379.451 3.773 20 30 GHEDLO CC(C)[N@@H+](CC(=O)N1CCCCCC1)Cc1ccc(C#N)cc1OC(F)F ZINC000513231813 845070586 /nfs/dbraw/zinc/07/05/86/845070586.db2.gz KBHLKQKASSSIJN-UHFFFAOYSA-N 1 2 379.451 3.773 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(c2cnn(C)c2)CC1 ZINC000329516929 861572970 /nfs/dbraw/zinc/57/29/70/861572970.db2.gz PDHIKBAZOPCJSR-CYBMUJFWSA-N 1 2 383.521 3.698 20 30 GHEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000513480609 845517713 /nfs/dbraw/zinc/51/77/13/845517713.db2.gz GLOMOFJEUNLZCN-UHFFFAOYSA-N 1 2 376.416 3.668 20 30 GHEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000538783848 845619408 /nfs/dbraw/zinc/61/94/08/845619408.db2.gz LKYTZCPGDUKYPX-MRXNPFEDSA-N 1 2 391.450 3.626 20 30 GHEDLO CC(C)(C)c1nc(CO[NH+]=C(N)c2ccc(COc3ccccc3F)cc2)no1 ZINC000731445281 861621085 /nfs/dbraw/zinc/62/10/85/861621085.db2.gz CYDWCIXWGIBBOW-UHFFFAOYSA-N 1 2 398.438 3.922 20 30 GHEDLO COc1ccc(OC)c(NC(=O)[C@@H](C)[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502530941 846162853 /nfs/dbraw/zinc/16/28/53/846162853.db2.gz UBERLNJPBNPJQK-MRXNPFEDSA-N 1 2 391.471 3.692 20 30 GHEDLO COc1ccc(OC)c(NC(=O)[C@@H](C)[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502530941 846162860 /nfs/dbraw/zinc/16/28/60/846162860.db2.gz UBERLNJPBNPJQK-MRXNPFEDSA-N 1 2 391.471 3.692 20 30 GHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1cccc(OCCCC#N)c1 ZINC000280008116 846257621 /nfs/dbraw/zinc/25/76/21/846257621.db2.gz UEDXVSJMMLEAQN-UHFFFAOYSA-N 1 2 384.386 3.944 20 30 GHEDLO C=C(C)Cn1c(SCC(=O)NCc2cc(C)[nH+]c(C)c2)nnc1-c1ccco1 ZINC000421574964 846358587 /nfs/dbraw/zinc/35/85/87/846358587.db2.gz IEZIZRRRHSCJHN-UHFFFAOYSA-N 1 2 397.504 3.535 20 30 GHEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429132192 861701208 /nfs/dbraw/zinc/70/12/08/861701208.db2.gz DOOOSSIKXMZEAZ-DLBZAZTESA-N 1 2 381.451 3.744 20 30 GHEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429132192 861701212 /nfs/dbraw/zinc/70/12/12/861701212.db2.gz DOOOSSIKXMZEAZ-DLBZAZTESA-N 1 2 381.451 3.744 20 30 GHEDLO N#Cc1ccc(Oc2cccc(C(=O)N3CC[NH2+][C@@H](c4ccncc4)C3)c2)cc1 ZINC000367086299 846599184 /nfs/dbraw/zinc/59/91/84/846599184.db2.gz SXBGZOLXZNXHNC-JOCHJYFZSA-N 1 2 384.439 3.532 20 30 GHEDLO COc1cc(NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c(F)cc1C#N ZINC000599814868 861713884 /nfs/dbraw/zinc/71/38/84/861713884.db2.gz OFLJAILIKOUSFL-CYBMUJFWSA-N 1 2 388.468 3.678 20 30 GHEDLO COc1cccc2sc(NC(=O)C[N@H+](C)Cc3ccc4c(c3)OCCO4)nc21 ZINC000051589195 846840827 /nfs/dbraw/zinc/84/08/27/846840827.db2.gz ZBMMLDLJLKGRJS-UHFFFAOYSA-N 1 2 399.472 3.796 20 30 GHEDLO COc1cccc2sc(NC(=O)C[N@@H+](C)Cc3ccc4c(c3)OCCO4)nc21 ZINC000051589195 846840830 /nfs/dbraw/zinc/84/08/30/846840830.db2.gz ZBMMLDLJLKGRJS-UHFFFAOYSA-N 1 2 399.472 3.796 20 30 GHEDLO C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000501444618 846931739 /nfs/dbraw/zinc/93/17/39/846931739.db2.gz BFEGEOUIUWUYSR-KSZLIROESA-N 1 2 393.487 3.573 20 30 GHEDLO C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000501444618 846931745 /nfs/dbraw/zinc/93/17/45/846931745.db2.gz BFEGEOUIUWUYSR-KSZLIROESA-N 1 2 393.487 3.573 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)Oc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000127644977 847198027 /nfs/dbraw/zinc/19/80/27/847198027.db2.gz IJSGHYCRLDJFLW-WOJBJXKFSA-N 1 2 399.441 3.555 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)C(C)(C)Oc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000127644977 847198035 /nfs/dbraw/zinc/19/80/35/847198035.db2.gz IJSGHYCRLDJFLW-WOJBJXKFSA-N 1 2 399.441 3.555 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000582509526 847442181 /nfs/dbraw/zinc/44/21/81/847442181.db2.gz IGEIZMKHPHDKQO-INIZCTEOSA-N 1 2 384.501 3.525 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000582509526 847442187 /nfs/dbraw/zinc/44/21/87/847442187.db2.gz IGEIZMKHPHDKQO-INIZCTEOSA-N 1 2 384.501 3.525 20 30 GHEDLO COc1cccc(C2=CC[N@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)c1 ZINC000479896672 847934310 /nfs/dbraw/zinc/93/43/10/847934310.db2.gz ZOXMUGMMRFRZOB-UHFFFAOYSA-N 1 2 381.863 3.948 20 30 GHEDLO COc1cccc(C2=CC[N@@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)c1 ZINC000479896672 847934324 /nfs/dbraw/zinc/93/43/24/847934324.db2.gz ZOXMUGMMRFRZOB-UHFFFAOYSA-N 1 2 381.863 3.948 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1OC ZINC000628169182 848531917 /nfs/dbraw/zinc/53/19/17/848531917.db2.gz TWMOSKLYHPQWES-XJKSGUPXSA-N 1 2 379.806 3.801 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1OC ZINC000628169182 848531922 /nfs/dbraw/zinc/53/19/22/848531922.db2.gz TWMOSKLYHPQWES-XJKSGUPXSA-N 1 2 379.806 3.801 20 30 GHEDLO C=CCn1c(=S)n(C[N@@H+]2CCC[C@@H]2C2CC2)nc1[C@@H]1COc2ccccc2O1 ZINC000728563392 849656712 /nfs/dbraw/zinc/65/67/12/849656712.db2.gz TWYZPIGBDLLCOG-APWZRJJASA-N 1 2 398.532 3.944 20 30 GHEDLO C=CCn1c(=S)n(C[N@H+]2CCC[C@@H]2C2CC2)nc1[C@@H]1COc2ccccc2O1 ZINC000728563392 849656716 /nfs/dbraw/zinc/65/67/16/849656716.db2.gz TWYZPIGBDLLCOG-APWZRJJASA-N 1 2 398.532 3.944 20 30 GHEDLO C=CCOc1ccccc1-c1nc([C@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000504215350 849973539 /nfs/dbraw/zinc/97/35/39/849973539.db2.gz ISJZYLSWKTYVHG-HXUWFJFHSA-N 1 2 377.444 3.875 20 30 GHEDLO C=CCOc1ccccc1-c1nc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000504215350 849973543 /nfs/dbraw/zinc/97/35/43/849973543.db2.gz ISJZYLSWKTYVHG-HXUWFJFHSA-N 1 2 377.444 3.875 20 30 GHEDLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C#N)cc1C ZINC000439789417 850404323 /nfs/dbraw/zinc/40/43/23/850404323.db2.gz ZPWPPDWOBFRPTI-HXOBKFHXSA-N 1 2 390.531 3.943 20 30 GHEDLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C#N)cc1C ZINC000439789417 850404330 /nfs/dbraw/zinc/40/43/30/850404330.db2.gz ZPWPPDWOBFRPTI-HXOBKFHXSA-N 1 2 390.531 3.943 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cccc4c5c([nH]c43)CCCC5)CC2)cc1 ZINC000027602001 850474949 /nfs/dbraw/zinc/47/49/49/850474949.db2.gz LGGBKPXJSUELRI-UHFFFAOYSA-N 1 2 398.510 3.876 20 30 GHEDLO C=CCOc1ccc(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)cc1OC ZINC000514002562 851132551 /nfs/dbraw/zinc/13/25/51/851132551.db2.gz YBUWGLMRCKVAEB-SFHVURJKSA-N 1 2 386.879 3.700 20 30 GHEDLO N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CC(n3cc[nH+]c3)C2)c1 ZINC000522636755 862212659 /nfs/dbraw/zinc/21/26/59/862212659.db2.gz OWNMNXRWDXZQPL-UHFFFAOYSA-N 1 2 378.819 3.898 20 30 GHEDLO CC[C@H]1C[N@H+](CCNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CCO1 ZINC000488297403 851372256 /nfs/dbraw/zinc/37/22/56/851372256.db2.gz LGFRNRBUTLCXBM-IBGZPJMESA-N 1 2 394.475 3.583 20 30 GHEDLO CC[C@H]1C[N@@H+](CCNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CCO1 ZINC000488297403 851372267 /nfs/dbraw/zinc/37/22/67/851372267.db2.gz LGFRNRBUTLCXBM-IBGZPJMESA-N 1 2 394.475 3.583 20 30 GHEDLO CC[C@H]1C[N@H+](CCNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CCO1 ZINC000488344733 851427627 /nfs/dbraw/zinc/42/76/27/851427627.db2.gz IHTCKABZKCNYMT-IBGZPJMESA-N 1 2 394.475 3.583 20 30 GHEDLO CC[C@H]1C[N@@H+](CCNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CCO1 ZINC000488344733 851427638 /nfs/dbraw/zinc/42/76/38/851427638.db2.gz IHTCKABZKCNYMT-IBGZPJMESA-N 1 2 394.475 3.583 20 30 GHEDLO COc1ccc(C[NH2+]Cc2nc(C)c3ccccc3n2)cc1OCCCC#N ZINC000517551304 852088712 /nfs/dbraw/zinc/08/87/12/852088712.db2.gz CRVZYKVPOLUORQ-UHFFFAOYSA-N 1 2 376.460 3.919 20 30 GHEDLO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)cc1OC ZINC000438339721 852284550 /nfs/dbraw/zinc/28/45/50/852284550.db2.gz FIMMQRJMWMROHK-MRXNPFEDSA-N 1 2 384.314 3.615 20 30 GHEDLO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H](O)C(C)(C)C2)cc1OC ZINC000438339721 852284557 /nfs/dbraw/zinc/28/45/57/852284557.db2.gz FIMMQRJMWMROHK-MRXNPFEDSA-N 1 2 384.314 3.615 20 30 GHEDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000489438178 852340061 /nfs/dbraw/zinc/34/00/61/852340061.db2.gz OWMCULVGHUXIES-AWEZNQCLSA-N 1 2 393.403 3.598 20 30 GHEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(C(F)(F)F)ccc1OCCOC ZINC000489460781 852357722 /nfs/dbraw/zinc/35/77/22/852357722.db2.gz HMTDGBJCCYOYKG-OAHLLOKOSA-N 1 2 386.414 3.710 20 30 GHEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc(C(F)(F)F)ccc1OCCOC ZINC000489460781 852357731 /nfs/dbraw/zinc/35/77/31/852357731.db2.gz HMTDGBJCCYOYKG-OAHLLOKOSA-N 1 2 386.414 3.710 20 30 GHEDLO C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000329837918 862360289 /nfs/dbraw/zinc/36/02/89/862360289.db2.gz MFVPMQURDTYGNJ-ZTNFWEORSA-N 1 2 385.508 3.679 20 30 GHEDLO C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000329837918 862360311 /nfs/dbraw/zinc/36/03/11/862360311.db2.gz MFVPMQURDTYGNJ-ZTNFWEORSA-N 1 2 385.508 3.679 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)C[C@H]2OCCc3ccccc32)c1 ZINC000507262059 852723158 /nfs/dbraw/zinc/72/31/58/852723158.db2.gz WWGCJURUOMYCMK-HSZRJFAPSA-N 1 2 391.515 3.796 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)C[C@H]2OCCc3ccccc32)c1 ZINC000507262059 852723169 /nfs/dbraw/zinc/72/31/69/852723169.db2.gz WWGCJURUOMYCMK-HSZRJFAPSA-N 1 2 391.515 3.796 20 30 GHEDLO C=CCOc1ccc(C[NH+]2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1 ZINC000506012846 852948292 /nfs/dbraw/zinc/94/82/92/852948292.db2.gz RSYWEPJGDHEYQF-UHFFFAOYSA-N 1 2 399.922 3.661 20 30 GHEDLO Cc1nn(-c2ccccc2)cc1C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000509586293 853015454 /nfs/dbraw/zinc/01/54/54/853015454.db2.gz HQDIPNOBJDGVPD-UHFFFAOYSA-N 1 2 375.451 3.514 20 30 GHEDLO CC(=[NH+]Nc1ccc(Br)nc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000732713275 862440602 /nfs/dbraw/zinc/44/06/02/862440602.db2.gz VMXFPYOEPHDQJV-UHFFFAOYSA-N 1 2 393.260 3.656 20 30 GHEDLO O=C(C[N@@H+]1CC[C@]2(C1)OCc1ccccc12)Nc1ccc2c(c1)OCCCO2 ZINC000329941728 862442189 /nfs/dbraw/zinc/44/21/89/862442189.db2.gz VGFQZDIDWGQVJQ-JOCHJYFZSA-N 1 2 380.444 3.567 20 30 GHEDLO O=C(C[N@H+]1CC[C@]2(C1)OCc1ccccc12)Nc1ccc2c(c1)OCCCO2 ZINC000329941728 862442196 /nfs/dbraw/zinc/44/21/96/862442196.db2.gz VGFQZDIDWGQVJQ-JOCHJYFZSA-N 1 2 380.444 3.567 20 30 GHEDLO C=CCc1cc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)c(O)c(OC)c1 ZINC000186952760 862449924 /nfs/dbraw/zinc/44/99/24/862449924.db2.gz VEVIVRBUCVNAEH-HXUWFJFHSA-N 1 2 375.415 3.981 20 30 GHEDLO C=CCc1cc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)c(O)c(OC)c1 ZINC000186952760 862449929 /nfs/dbraw/zinc/44/99/29/862449929.db2.gz VEVIVRBUCVNAEH-HXUWFJFHSA-N 1 2 375.415 3.981 20 30 GHEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330098651 862572531 /nfs/dbraw/zinc/57/25/31/862572531.db2.gz CDSZPMORPWTBFR-PGKIEUPTSA-N 1 2 376.541 3.570 20 30 GHEDLO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330098651 862572535 /nfs/dbraw/zinc/57/25/35/862572535.db2.gz CDSZPMORPWTBFR-PGKIEUPTSA-N 1 2 376.541 3.570 20 30 GHEDLO CC(=O)N1CCCC[C@@H]1C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000328819561 854549441 /nfs/dbraw/zinc/54/94/41/854549441.db2.gz PNVCFVDASYYIBV-QZTJIDSGSA-N 1 2 395.906 3.974 20 30 GHEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)Cc1csc(Br)c1 ZINC000330938429 854781283 /nfs/dbraw/zinc/78/12/83/854781283.db2.gz BYIMUCLRFVTYLS-GFCCVEGCSA-N 1 2 384.343 3.674 20 30 GHEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)Cc1csc(Br)c1 ZINC000330938429 854781286 /nfs/dbraw/zinc/78/12/86/854781286.db2.gz BYIMUCLRFVTYLS-GFCCVEGCSA-N 1 2 384.343 3.674 20 30 GHEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000589344456 854800994 /nfs/dbraw/zinc/80/09/94/854800994.db2.gz NUPAWTXNHMQNML-UHFFFAOYSA-N 1 2 390.443 3.597 20 30 GHEDLO C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1)c1ccc(Cl)cc1Cl ZINC000330148321 862616116 /nfs/dbraw/zinc/61/61/16/862616116.db2.gz JHHOFCJGIMPAIG-SNUQEOBHSA-N 1 2 387.307 3.891 20 30 GHEDLO C[C@@H](NC(=O)C[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1)c1ccc(Cl)cc1Cl ZINC000330148321 862616124 /nfs/dbraw/zinc/61/61/24/862616124.db2.gz JHHOFCJGIMPAIG-SNUQEOBHSA-N 1 2 387.307 3.891 20 30 GHEDLO N#Cc1ccnc(NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000301636727 855731131 /nfs/dbraw/zinc/73/11/31/855731131.db2.gz LCEIKLNUPIKNJE-HNNXBMFYSA-N 1 2 389.818 3.903 20 30 GHEDLO N#Cc1cc(N2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)ccc1[N+](=O)[O-] ZINC000301814601 855763054 /nfs/dbraw/zinc/76/30/54/855763054.db2.gz ZPXVOKHKZVHIBP-UHFFFAOYSA-N 1 2 390.365 3.807 20 30 GHEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(c2nc(C(F)(F)F)ccc2C#N)CC1 ZINC000302003262 855799809 /nfs/dbraw/zinc/79/98/09/855799809.db2.gz TVYJYOIKEMBCBT-ZDUSSCGKSA-N 1 2 378.373 3.994 20 30 GHEDLO C[N@@H+]1CCO[C@@H]([C@@H](Nc2cc(C#N)ccc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000302212612 855839810 /nfs/dbraw/zinc/83/98/10/855839810.db2.gz NBVGEDRHRNILRY-MOPGFXCFSA-N 1 2 386.839 3.604 20 30 GHEDLO C[N@H+]1CCO[C@@H]([C@@H](Nc2cc(C#N)ccc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000302212612 855839815 /nfs/dbraw/zinc/83/98/15/855839815.db2.gz NBVGEDRHRNILRY-MOPGFXCFSA-N 1 2 386.839 3.604 20 30 GHEDLO Cc1ccc(C(=O)C2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)CC2)c(C)c1 ZINC000026640857 856065137 /nfs/dbraw/zinc/06/51/37/856065137.db2.gz WXTGDVHQMWANMA-IBGZPJMESA-N 1 2 395.547 3.929 20 30 GHEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@H](c4ccn[nH]4)C3)sc2C1 ZINC000171630637 856210005 /nfs/dbraw/zinc/21/00/05/856210005.db2.gz DFQOAVURCQSYNL-GJZGRUSLSA-N 1 2 397.548 3.676 20 30 GHEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCC[C@H](c4ccn[nH]4)C3)sc2C1 ZINC000171630637 856210016 /nfs/dbraw/zinc/21/00/16/856210016.db2.gz DFQOAVURCQSYNL-GJZGRUSLSA-N 1 2 397.548 3.676 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c1C ZINC000507818034 856384623 /nfs/dbraw/zinc/38/46/23/856384623.db2.gz JHHLATKNTSSAEW-UHFFFAOYSA-N 1 2 377.488 3.889 20 30 GHEDLO N#Cc1ccc2ncc(C[N@H+]3CCCN(Cc4ccc(Cl)cc4)CC3)n2c1 ZINC000123279293 856470901 /nfs/dbraw/zinc/47/09/01/856470901.db2.gz CWNYJRWPNJLDDN-UHFFFAOYSA-N 1 2 379.895 3.567 20 30 GHEDLO N#Cc1ccc2ncc(C[N@@H+]3CCCN(Cc4ccc(Cl)cc4)CC3)n2c1 ZINC000123279293 856470904 /nfs/dbraw/zinc/47/09/04/856470904.db2.gz CWNYJRWPNJLDDN-UHFFFAOYSA-N 1 2 379.895 3.567 20 30 GHEDLO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[NH+]1CCC(CC#N)CC1 ZINC000542882599 856471761 /nfs/dbraw/zinc/47/17/61/856471761.db2.gz AXAHTTPYDXIQQY-ZDUSSCGKSA-N 1 2 399.476 3.671 20 30 GHEDLO COC(=O)c1cccc2c1C[N@H+](Cc1ccc(OC)c(OCCCC#N)c1)CC2 ZINC000592524610 856920293 /nfs/dbraw/zinc/92/02/93/856920293.db2.gz FUSJEPYOWSRFQF-UHFFFAOYSA-N 1 2 394.471 3.723 20 30 GHEDLO COC(=O)c1cccc2c1C[N@@H+](Cc1ccc(OC)c(OCCCC#N)c1)CC2 ZINC000592524610 856920299 /nfs/dbraw/zinc/92/02/99/856920299.db2.gz FUSJEPYOWSRFQF-UHFFFAOYSA-N 1 2 394.471 3.723 20 30 GHEDLO C[C@@H](c1nnc(SCc2ccncc2C#N)n1-c1ccc(F)cc1)[NH+](C)C ZINC000592347530 857178456 /nfs/dbraw/zinc/17/84/56/857178456.db2.gz XMSXXRWCIKCJHH-ZDUSSCGKSA-N 1 2 382.468 3.588 20 30 GHEDLO C[N@H+](Cc1csc(Br)c1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000174129609 857213560 /nfs/dbraw/zinc/21/35/60/857213560.db2.gz MCCWUDGMLRBAKK-HNNXBMFYSA-N 1 2 390.306 3.620 20 30 GHEDLO C[N@@H+](Cc1csc(Br)c1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000174129609 857213564 /nfs/dbraw/zinc/21/35/64/857213564.db2.gz MCCWUDGMLRBAKK-HNNXBMFYSA-N 1 2 390.306 3.620 20 30 GHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000246774928 857457373 /nfs/dbraw/zinc/45/73/73/857457373.db2.gz QPROQXMJMDCFRC-XLIONFOSSA-N 1 2 395.528 3.987 20 30 GHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000246774928 857457377 /nfs/dbraw/zinc/45/73/77/857457377.db2.gz QPROQXMJMDCFRC-XLIONFOSSA-N 1 2 395.528 3.987 20 30 GHEDLO C=CCOc1ccc(CNC(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000672557015 857467113 /nfs/dbraw/zinc/46/71/13/857467113.db2.gz ISQBKOKZNMRAJE-NRFANRHFSA-N 1 2 390.487 3.768 20 30 GHEDLO N#CC[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)C1 ZINC000594660862 858258556 /nfs/dbraw/zinc/25/85/56/858258556.db2.gz RXQMWRQWQNZWOK-UTKZUKDTSA-N 1 2 389.455 3.736 20 30 GHEDLO N#CC[C@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)C1 ZINC000594660862 858258562 /nfs/dbraw/zinc/25/85/62/858258562.db2.gz RXQMWRQWQNZWOK-UTKZUKDTSA-N 1 2 389.455 3.736 20 30 GHEDLO C=CC[C@H]1CCC[N@H+]([C@H](C)c2nc(=O)c3c(C)c(C(=O)OCC)sc3[nH]2)C1 ZINC000595658607 858641081 /nfs/dbraw/zinc/64/10/81/858641081.db2.gz GCBGNCBELYHIIM-KGLIPLIRSA-N 1 2 389.521 3.819 20 30 GHEDLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2ccccc2)cc1F ZINC000595748425 858673840 /nfs/dbraw/zinc/67/38/40/858673840.db2.gz UDNSHNAPHNPWIO-FQEVSTJZSA-N 1 2 381.451 3.918 20 30 GHEDLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2ccccc2)cc1F ZINC000595748425 858673843 /nfs/dbraw/zinc/67/38/43/858673843.db2.gz UDNSHNAPHNPWIO-FQEVSTJZSA-N 1 2 381.451 3.918 20 30 GHEDLO Cc1cc(N2C[C@H](C)OC3(CCC3)C2)c(C#N)c(N2C[C@@H](C)OC3(CCC3)C2)[nH+]1 ZINC000596290807 858838644 /nfs/dbraw/zinc/83/86/44/858838644.db2.gz DMFCJYJYVYKVAF-ZWKOTPCHSA-N 1 2 396.535 3.557 20 30 GHEDLO C=CCOc1ccc(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)cc1OC ZINC000522215541 858839388 /nfs/dbraw/zinc/83/93/88/858839388.db2.gz ALWXPZBYRWDZTA-YFHOEESVSA-N 1 2 392.499 3.731 20 30 GHEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)NC(C)(C)c1cccc(C#N)c1)c1ccccc1 ZINC000596429380 858894658 /nfs/dbraw/zinc/89/46/58/858894658.db2.gz WSAPMXQIYORJTE-HXUWFJFHSA-N 1 2 387.487 3.810 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(OCc3ccccc3)CC2)c(C#N)c1C ZINC000042563607 858986914 /nfs/dbraw/zinc/98/69/14/858986914.db2.gz DDFRLXVTLIDJNI-MRXNPFEDSA-N 1 2 381.476 3.776 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000185474254 859085985 /nfs/dbraw/zinc/08/59/85/859085985.db2.gz GVOHNKANGFDTRW-INIZCTEOSA-N 1 2 393.516 3.835 20 30 GHEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@H](Oc3ccccc3Cl)C2)CCCCC1 ZINC000443645662 859161158 /nfs/dbraw/zinc/16/11/58/859161158.db2.gz BQKQHERGDJJASR-INIZCTEOSA-N 1 2 375.900 3.526 20 30 GHEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@H](Oc3ccccc3Cl)C2)CCCCC1 ZINC000443645662 859161161 /nfs/dbraw/zinc/16/11/61/859161161.db2.gz BQKQHERGDJJASR-INIZCTEOSA-N 1 2 375.900 3.526 20 30 GHEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1=S ZINC000840112670 859198554 /nfs/dbraw/zinc/19/85/54/859198554.db2.gz AAUNUPNJUWACGO-QRVBRYPASA-N 1 2 399.564 3.635 20 30 GHEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1=S ZINC000840112670 859198560 /nfs/dbraw/zinc/19/85/60/859198560.db2.gz AAUNUPNJUWACGO-QRVBRYPASA-N 1 2 399.564 3.635 20 30 GHEDLO COc1cc(C[N@@H+]2CC[C@](C)(C#N)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000597228176 859363096 /nfs/dbraw/zinc/36/30/96/859363096.db2.gz ASYSIJREVLNAJU-OAQYLSRUSA-N 1 2 381.432 3.918 20 30 GHEDLO COc1cc(C[N@H+]2CC[C@](C)(C#N)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000597228176 859363102 /nfs/dbraw/zinc/36/31/02/859363102.db2.gz ASYSIJREVLNAJU-OAQYLSRUSA-N 1 2 381.432 3.918 20 30 GHEDLO N#Cc1ccc(Br)c(C[NH2+][C@@H](CO)c2cccc(Cl)c2F)c1 ZINC000499967820 860343006 /nfs/dbraw/zinc/34/30/06/860343006.db2.gz WKQVEXRWYPBIHG-HNNXBMFYSA-N 1 2 383.648 3.936 20 30 GHEDLO COc1cc(OC)c(C[NH2+]Cc2cc(C#N)ccc2Br)c(OC)c1 ZINC000921552126 860415520 /nfs/dbraw/zinc/41/55/20/860415520.db2.gz XFUWWJKKDFDQNA-UHFFFAOYSA-N 1 2 391.265 3.636 20 30 GHEDLO CC[NH+](CC)[C@H](CNS(=O)(=O)c1cccc(C#N)c1)c1ccccc1Cl ZINC000020000186 860462175 /nfs/dbraw/zinc/46/21/75/860462175.db2.gz NTYSUDYRHMKSCP-LJQANCHMSA-N 1 2 391.924 3.573 20 30 GHEDLO COc1cc(Br)c(C[N@H+](C)Cc2ccc(C#N)cc2)cc1OC ZINC000125268594 860627930 /nfs/dbraw/zinc/62/79/30/860627930.db2.gz XXXASTNKUFLLJR-UHFFFAOYSA-N 1 2 375.266 3.970 20 30 GHEDLO COc1cc(Br)c(C[N@@H+](C)Cc2ccc(C#N)cc2)cc1OC ZINC000125268594 860627936 /nfs/dbraw/zinc/62/79/36/860627936.db2.gz XXXASTNKUFLLJR-UHFFFAOYSA-N 1 2 375.266 3.970 20 30 GHEDLO COc1ccc2c(c1)C[N@@H+](CC(=O)[C@@H](C#N)c1nc3ccccc3s1)CC2 ZINC000920088583 881626553 /nfs/dbraw/zinc/62/65/53/881626553.db2.gz ITEJLZOYUVYWFM-QGZVFWFLSA-N 1 2 377.469 3.539 20 30 GHEDLO COc1ccc2c(c1)C[N@H+](CC(=O)[C@@H](C#N)c1nc3ccccc3s1)CC2 ZINC000920088583 881626562 /nfs/dbraw/zinc/62/65/62/881626562.db2.gz ITEJLZOYUVYWFM-QGZVFWFLSA-N 1 2 377.469 3.539 20 30 GHEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)N1CCC(C(=O)OCC)CC1 ZINC000557053496 881640702 /nfs/dbraw/zinc/64/07/02/881640702.db2.gz XUTGBZMCGTUGCY-AWEZNQCLSA-N 1 2 398.956 3.580 20 30 GHEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)N1CCC(C(=O)OCC)CC1 ZINC000557053496 881640709 /nfs/dbraw/zinc/64/07/09/881640709.db2.gz XUTGBZMCGTUGCY-AWEZNQCLSA-N 1 2 398.956 3.580 20 30 GHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3Cc4ccc(C#N)cc4C3)n2)C1 ZINC000594058781 863939482 /nfs/dbraw/zinc/93/94/82/863939482.db2.gz STFOTJXUDRCQSJ-AWEZNQCLSA-N 1 2 381.505 3.794 20 30 GHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3Cc4ccc(C#N)cc4C3)n2)C1 ZINC000594058781 863939492 /nfs/dbraw/zinc/93/94/92/863939492.db2.gz STFOTJXUDRCQSJ-AWEZNQCLSA-N 1 2 381.505 3.794 20 30 GHEDLO C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281992729 864118710 /nfs/dbraw/zinc/11/87/10/864118710.db2.gz HENVFQLJIUISMM-IAGOWNOFSA-N 1 2 393.491 3.922 20 30 GHEDLO C=CC[N@@H+](CC(=O)Nc1cc(C)nn1-c1ccc(C)cc1)Cc1cccc(C#N)c1 ZINC000063300171 864482704 /nfs/dbraw/zinc/48/27/04/864482704.db2.gz NXVDGYDGQPTAQB-UHFFFAOYSA-N 1 2 399.498 3.988 20 30 GHEDLO C=CC[N@H+](CC(=O)Nc1cc(C)nn1-c1ccc(C)cc1)Cc1cccc(C#N)c1 ZINC000063300171 864482713 /nfs/dbraw/zinc/48/27/13/864482713.db2.gz NXVDGYDGQPTAQB-UHFFFAOYSA-N 1 2 399.498 3.988 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[N@H+](Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000735308811 864733112 /nfs/dbraw/zinc/73/31/12/864733112.db2.gz UMVIFAUTDLXFNF-UHFFFAOYSA-N 1 2 379.888 3.685 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[N@@H+](Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000735308811 864733122 /nfs/dbraw/zinc/73/31/22/864733122.db2.gz UMVIFAUTDLXFNF-UHFFFAOYSA-N 1 2 379.888 3.685 20 30 GHEDLO COC(=O)c1sc2ccccc2c1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000608856522 865796211 /nfs/dbraw/zinc/79/62/11/865796211.db2.gz PEXQZBKGVXPOHO-UHFFFAOYSA-N 1 2 391.496 3.882 20 30 GHEDLO CN(C(=O)CO[NH+]=C(N)c1ccc(OCc2ccccc2)cc1)C1CCCCC1 ZINC000303065923 866038282 /nfs/dbraw/zinc/03/82/82/866038282.db2.gz VTEYRADQNKVXGF-UHFFFAOYSA-N 1 2 395.503 3.694 20 30 GHEDLO CC(C)(C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccc(Cl)c1 ZINC000609911055 866128841 /nfs/dbraw/zinc/12/88/41/866128841.db2.gz BRHKDCJNWYFNMQ-UHFFFAOYSA-N 1 2 381.907 3.834 20 30 GHEDLO CCC[C@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)cc3OC)c2C1 ZINC000186584497 866227939 /nfs/dbraw/zinc/22/79/39/866227939.db2.gz WRYCZNSXMIYVRG-HNNXBMFYSA-N 1 2 399.516 3.872 20 30 GHEDLO CCC[C@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)cc3OC)c2C1 ZINC000186584497 866227957 /nfs/dbraw/zinc/22/79/57/866227957.db2.gz WRYCZNSXMIYVRG-HNNXBMFYSA-N 1 2 399.516 3.872 20 30 GHEDLO CCCOc1cccc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 ZINC000534340412 866584260 /nfs/dbraw/zinc/58/42/60/866584260.db2.gz CPIZJGUSGVCGFY-UHFFFAOYSA-N 1 2 392.459 3.917 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(O)(c3cccc(C)c3C)CC2)c(C#N)c1C ZINC000741801486 866823101 /nfs/dbraw/zinc/82/31/01/866823101.db2.gz XJVHZAZZYKDGDM-KRWDZBQOSA-N 1 2 395.503 3.696 20 30 GHEDLO C=CCn1c(C2CC2)nnc1N1CC[NH+]([C@H](CC)c2ccc(F)cc2F)CC1 ZINC000508840386 867757688 /nfs/dbraw/zinc/75/76/88/867757688.db2.gz LAWIHQMYHFXPAV-LJQANCHMSA-N 1 2 387.478 3.893 20 30 GHEDLO C#CCOc1ccc(NC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)cc1 ZINC000743152243 867880527 /nfs/dbraw/zinc/88/05/27/867880527.db2.gz OWRUZJZJTIGPJT-UHFFFAOYSA-N 1 2 392.503 3.555 20 30 GHEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445888623 869115596 /nfs/dbraw/zinc/11/55/96/869115596.db2.gz VZAGZIATPOFACP-MRXNPFEDSA-N 1 2 381.314 3.629 20 30 GHEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445888623 869115599 /nfs/dbraw/zinc/11/55/99/869115599.db2.gz VZAGZIATPOFACP-MRXNPFEDSA-N 1 2 381.314 3.629 20 30 GHEDLO CC(C)[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O ZINC000746033816 869961324 /nfs/dbraw/zinc/96/13/24/869961324.db2.gz UVPLHQHIKIMOCC-HXOBKFHXSA-N 1 2 396.535 3.863 20 30 GHEDLO CC(C)[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O ZINC000746033816 869961336 /nfs/dbraw/zinc/96/13/36/869961336.db2.gz UVPLHQHIKIMOCC-HXOBKFHXSA-N 1 2 396.535 3.863 20 30 GHEDLO C=CC[N@@H+](CCc1nc2ccccc2n1C)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001193414535 871096649 /nfs/dbraw/zinc/09/66/49/871096649.db2.gz YJHAXBAVVUJQNS-QFIPXVFZSA-N 1 2 391.515 3.778 20 30 GHEDLO C=CC[N@H+](CCc1nc2ccccc2n1C)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001193414535 871096661 /nfs/dbraw/zinc/09/66/61/871096661.db2.gz YJHAXBAVVUJQNS-QFIPXVFZSA-N 1 2 391.515 3.778 20 30 GHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000766585777 871192350 /nfs/dbraw/zinc/19/23/50/871192350.db2.gz WUQZXBDWTAMTOM-SJORKVTESA-N 1 2 383.492 3.540 20 30 GHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000766585777 871192357 /nfs/dbraw/zinc/19/23/57/871192357.db2.gz WUQZXBDWTAMTOM-SJORKVTESA-N 1 2 383.492 3.540 20 30 GHEDLO C[C@H](CS(C)(=O)=O)[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C1CC1 ZINC000191494358 882490177 /nfs/dbraw/zinc/49/01/77/882490177.db2.gz CWHQPMACHOFHIL-LJQANCHMSA-N 1 2 396.556 3.784 20 30 GHEDLO C[C@H](CS(C)(=O)=O)[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C1CC1 ZINC000191494358 882490184 /nfs/dbraw/zinc/49/01/84/882490184.db2.gz CWHQPMACHOFHIL-LJQANCHMSA-N 1 2 396.556 3.784 20 30 GHEDLO N#Cc1c2c(cn(C[N@@H+](Cc3ccc(C(F)(F)F)cc3)C3CC3)c1=O)CCC2 ZINC000766611254 871252103 /nfs/dbraw/zinc/25/21/03/871252103.db2.gz HVFWTOAKHIZMEF-UHFFFAOYSA-N 1 2 387.405 3.850 20 30 GHEDLO N#Cc1c2c(cn(C[N@H+](Cc3ccc(C(F)(F)F)cc3)C3CC3)c1=O)CCC2 ZINC000766611254 871252193 /nfs/dbraw/zinc/25/21/93/871252193.db2.gz HVFWTOAKHIZMEF-UHFFFAOYSA-N 1 2 387.405 3.850 20 30 GHEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000462033402 871514145 /nfs/dbraw/zinc/51/41/45/871514145.db2.gz VWCBLDJSPQRONC-ZWKOTPCHSA-N 1 2 377.488 3.576 20 30 GHEDLO COc1cccc2c1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)C2 ZINC000182709899 872705193 /nfs/dbraw/zinc/70/51/93/872705193.db2.gz VIPJNPUCCCWLJE-INIZCTEOSA-N 1 2 381.451 3.528 20 30 GHEDLO COc1cccc2c1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)C2 ZINC000182709899 872705212 /nfs/dbraw/zinc/70/52/12/872705212.db2.gz VIPJNPUCCCWLJE-INIZCTEOSA-N 1 2 381.451 3.528 20 30 GHEDLO CO[C@@H](C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1)c1ccc(Cl)cc1 ZINC000619779997 872993952 /nfs/dbraw/zinc/99/39/52/872993952.db2.gz MSMZEWNQKMCBJX-SFHVURJKSA-N 1 2 386.883 3.587 20 30 GHEDLO Cn1cc[nH+]c1C[C@H](NC(=O)NCc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000619770426 873008805 /nfs/dbraw/zinc/00/88/05/873008805.db2.gz UKPANIMIGHLQIR-IBGZPJMESA-N 1 2 393.878 3.728 20 30 GHEDLO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@H](C)c1nc(C2CCCCC2)no1 ZINC000541681918 874118828 /nfs/dbraw/zinc/11/88/28/874118828.db2.gz JNEFGNCCOBANGV-APWZRJJASA-N 1 2 385.508 3.936 20 30 GHEDLO N#CCn1c(=O)c2ccccc2nc1C[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000775824851 874260060 /nfs/dbraw/zinc/26/00/60/874260060.db2.gz VKLMRSFDNOSPKR-UHFFFAOYSA-N 1 2 392.890 3.953 20 30 GHEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542168203 875071722 /nfs/dbraw/zinc/07/17/22/875071722.db2.gz KZIWLVATRYNHEM-QFIPXVFZSA-N 1 2 394.519 3.877 20 30 GHEDLO CC(=O)NCCn1c2ccccc2[nH+]c1Nc1ccc(C(F)(F)F)cc1C#N ZINC001201690608 875834584 /nfs/dbraw/zinc/83/45/84/875834584.db2.gz GSRTVFBCEYBFNU-UHFFFAOYSA-N 1 2 387.365 3.806 20 30 GHEDLO Cc1sc(NC(=O)C[NH2+][C@@H](c2ccccc2)c2ccccn2)c(C#N)c1C ZINC000096981618 882988795 /nfs/dbraw/zinc/98/87/95/882988795.db2.gz GQYDODTZDLUIBN-FQEVSTJZSA-N 1 2 376.485 3.949 20 30 GHEDLO Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000785979196 876381184 /nfs/dbraw/zinc/38/11/84/876381184.db2.gz MVHFMTQMVPZQCM-GOEBONIOSA-N 1 2 383.414 3.863 20 30 GHEDLO COc1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2C#N)c(SC)cc1OC ZINC000265933031 876426571 /nfs/dbraw/zinc/42/65/71/876426571.db2.gz DQJDUXXQYOYIEN-AWEZNQCLSA-N 1 2 399.516 3.756 20 30 GHEDLO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2C#N)c(SC)cc1OC ZINC000265933031 876426575 /nfs/dbraw/zinc/42/65/75/876426575.db2.gz DQJDUXXQYOYIEN-AWEZNQCLSA-N 1 2 399.516 3.756 20 30 GHEDLO N#Cc1ccsc1NC(=O)C[N@@H+](Cc1cccc(Br)c1)C1CC1 ZINC000026446331 876981844 /nfs/dbraw/zinc/98/18/44/876981844.db2.gz GTLVRNJKBOFOJP-UHFFFAOYSA-N 1 2 390.306 3.985 20 30 GHEDLO N#Cc1ccsc1NC(=O)C[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC000026446331 876981848 /nfs/dbraw/zinc/98/18/48/876981848.db2.gz GTLVRNJKBOFOJP-UHFFFAOYSA-N 1 2 390.306 3.985 20 30 GHEDLO CCCc1c(NC(=O)Nc2ccc3[nH+]ccn3c2)cnn1-c1cccc(C#N)c1 ZINC000615252193 877567312 /nfs/dbraw/zinc/56/73/12/877567312.db2.gz FAEUICWCTDSYDD-UHFFFAOYSA-N 1 2 385.431 3.988 20 30 GHEDLO C[NH+](C)c1ccc(N2CCC(N=Nc3nnc(-c4ccccn4)s3)CC2)cc1 ZINC000788025756 877786638 /nfs/dbraw/zinc/78/66/38/877786638.db2.gz CDYLEOGWJGYPLX-UHFFFAOYSA-N 1 2 393.520 3.734 20 30 GHEDLO C#CCOc1cccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000788290981 877998326 /nfs/dbraw/zinc/99/83/26/877998326.db2.gz KROSNZCBUHQCIZ-VQTJNVASSA-N 1 2 385.414 3.544 20 30 GHEDLO C#CCOc1cccc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000788290981 877998337 /nfs/dbraw/zinc/99/83/37/877998337.db2.gz KROSNZCBUHQCIZ-VQTJNVASSA-N 1 2 385.414 3.544 20 30 GHEDLO N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)cc2F)c1 ZINC000615752725 878071618 /nfs/dbraw/zinc/07/16/18/878071618.db2.gz RBDPAMPBHKNPBS-QGZVFWFLSA-N 1 2 390.418 3.674 20 30 GHEDLO N#Cc1ccccc1-c1ccc(CNC(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000538068323 878793118 /nfs/dbraw/zinc/79/31/18/878793118.db2.gz NBFFSCWIEVLFAF-UHFFFAOYSA-N 1 2 385.471 3.922 20 30 GHEDLO C[C@H]([NH2+]Cc1csc(CNC(=O)c2ccccc2)n1)c1ccc(C#N)cc1 ZINC000538394905 879414451 /nfs/dbraw/zinc/41/44/51/879414451.db2.gz UDQRPWMCGXSLAN-HNNXBMFYSA-N 1 2 376.485 3.796 20 30 GHEDLO N#Cc1cccc(CS(=O)(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1 ZINC000790420771 879702463 /nfs/dbraw/zinc/70/24/63/879702463.db2.gz DBTKWYSHUQVJOB-UHFFFAOYSA-N 1 2 393.468 3.667 20 30 GHEDLO CC[NH+](CC)Cc1csc(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)n1 ZINC000790477508 879751491 /nfs/dbraw/zinc/75/14/91/879751491.db2.gz LNEXDGBXAHAOLF-UHFFFAOYSA-N 1 2 381.423 3.994 20 30 GHEDLO N#Cc1cnc2ccc(Cl)cc2c1NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000461460769 879875422 /nfs/dbraw/zinc/87/54/22/879875422.db2.gz OSLDLBFNPOGJSU-NRFANRHFSA-N 1 2 392.890 3.667 20 30 GHEDLO Cn1cc[nH+]c1C[C@H](NC(=O)C#Cc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000790683186 879906206 /nfs/dbraw/zinc/90/62/06/879906206.db2.gz NPXYOYPMCCEDBV-IBGZPJMESA-N 1 2 397.400 3.891 20 30 GHEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000791623085 880548244 /nfs/dbraw/zinc/54/82/44/880548244.db2.gz FYZDGVMUQKMBNW-WOJBJXKFSA-N 1 2 391.849 3.534 20 30 GHEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000791623080 880548373 /nfs/dbraw/zinc/54/83/73/880548373.db2.gz FYZDGVMUQKMBNW-UXHICEINSA-N 1 2 391.849 3.534 20 30 GHEDLO N#Cc1cc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)ccc1OCC(F)(F)F ZINC000111723854 880860684 /nfs/dbraw/zinc/86/06/84/880860684.db2.gz SEOSPUYNIUIWOV-UHFFFAOYSA-N 1 2 393.369 3.565 20 30 GHEDLO CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000113972145 881019663 /nfs/dbraw/zinc/01/96/63/881019663.db2.gz OYFYLTAFXWJOHH-IBGZPJMESA-N 1 2 389.459 3.553 20 30 GHEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000792308849 881036565 /nfs/dbraw/zinc/03/65/65/881036565.db2.gz PDGNPLXBGDASHG-GOSISDBHSA-N 1 2 388.858 3.935 20 30 GHEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000792308849 881036583 /nfs/dbraw/zinc/03/65/83/881036583.db2.gz PDGNPLXBGDASHG-GOSISDBHSA-N 1 2 388.858 3.935 20 30 GHEDLO CCn1cc([C@H](O)C[N@H+](Cc2ccccc2)Cc2ccc(F)cc2C#N)cn1 ZINC000792366929 881058602 /nfs/dbraw/zinc/05/86/02/881058602.db2.gz XVKBUAFUHGZMPE-JOCHJYFZSA-N 1 2 378.451 3.650 20 30 GHEDLO CCn1cc([C@H](O)C[N@@H+](Cc2ccccc2)Cc2ccc(F)cc2C#N)cn1 ZINC000792366929 881058617 /nfs/dbraw/zinc/05/86/17/881058617.db2.gz XVKBUAFUHGZMPE-JOCHJYFZSA-N 1 2 378.451 3.650 20 30 GHEDLO CC(C)(C)C[C@H]1CC(=O)N(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)C1 ZINC000795714941 912655313 /nfs/dbraw/zinc/65/53/13/912655313.db2.gz VOTFGWTZHKXWFO-QGZVFWFLSA-N 1 2 387.499 3.783 20 30 GHEDLO CCC1(CC)C[N@H+](Cc2ccc(OC)c(OCCCC#N)c2)CC[S@@]1=O ZINC000187565430 881231146 /nfs/dbraw/zinc/23/11/46/881231146.db2.gz HPBVVXBIBNKTJL-SANMLTNESA-N 1 2 378.538 3.501 20 30 GHEDLO CCC1(CC)C[N@@H+](Cc2ccc(OC)c(OCCCC#N)c2)CC[S@@]1=O ZINC000187565430 881231159 /nfs/dbraw/zinc/23/11/59/881231159.db2.gz HPBVVXBIBNKTJL-SANMLTNESA-N 1 2 378.538 3.501 20 30 GHEDLO C=CCn1c(SCC[N@H+]2CCOC[C@H]2C)nnc1-c1cccc(Cl)c1 ZINC000551086673 883263984 /nfs/dbraw/zinc/26/39/84/883263984.db2.gz XNMGTKRQJCNDFS-CQSZACIVSA-N 1 2 378.929 3.597 20 30 GHEDLO C=CCn1c(SCC[N@@H+]2CCOC[C@H]2C)nnc1-c1cccc(Cl)c1 ZINC000551086673 883263997 /nfs/dbraw/zinc/26/39/97/883263997.db2.gz XNMGTKRQJCNDFS-CQSZACIVSA-N 1 2 378.929 3.597 20 30 GHEDLO N#Cc1cccc(OCCCCC(=O)Nc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000609501229 883267742 /nfs/dbraw/zinc/26/77/42/883267742.db2.gz BAYKBLQGSNHJLK-UHFFFAOYSA-N 1 2 393.487 3.578 20 30 GHEDLO N#Cc1ccc(Oc2ccc(C(=O)NCc3ccccc3-n3cc[nH+]c3)cc2)nc1 ZINC000609548594 883361157 /nfs/dbraw/zinc/36/11/57/883361157.db2.gz MWVDHIXURLUTNE-UHFFFAOYSA-N 1 2 395.422 3.861 20 30 GHEDLO C[C@@H](C#N)Oc1ccc(CN2CCc3c([nH+]cn3CCc3ccccc3)C2)cc1 ZINC000184742761 883363353 /nfs/dbraw/zinc/36/33/53/883363353.db2.gz QLNAVWMTAUYLOG-IBGZPJMESA-N 1 2 386.499 3.975 20 30 GHEDLO C=C(C)[C@H](NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccc(F)c(F)c1 ZINC000185844175 883593241 /nfs/dbraw/zinc/59/32/41/883593241.db2.gz FRPNWADKPGUFTF-QRWLVFNGSA-N 1 2 388.462 3.980 20 30 GHEDLO C[NH+]1CCN(c2ccc(NC(=O)CCCCCC#N)cc2Br)CC1 ZINC000805201084 883639286 /nfs/dbraw/zinc/63/92/86/883639286.db2.gz PAWGUXJSDVUHDW-UHFFFAOYSA-N 1 2 393.329 3.613 20 30 GHEDLO N#CCCN(C(=O)C[N@@H+]1CC[C@]2(C1)OCc1ccccc12)c1cccc(Cl)c1 ZINC000186648206 883680608 /nfs/dbraw/zinc/68/06/08/883680608.db2.gz WEEQVUADMNXUBA-JOCHJYFZSA-N 1 2 395.890 3.718 20 30 GHEDLO N#CCCN(C(=O)C[N@H+]1CC[C@]2(C1)OCc1ccccc12)c1cccc(Cl)c1 ZINC000186648206 883680616 /nfs/dbraw/zinc/68/06/16/883680616.db2.gz WEEQVUADMNXUBA-JOCHJYFZSA-N 1 2 395.890 3.718 20 30 GHEDLO C#CCOc1ccc(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1 ZINC000761736628 883887673 /nfs/dbraw/zinc/88/76/73/883887673.db2.gz OTCAJWVPXNZEAR-YADHBBJMSA-N 1 2 386.455 3.945 20 30 GHEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@@H](O)Cc3ccccc3C(F)(F)F)CCO2)c1 ZINC000761765026 884151247 /nfs/dbraw/zinc/15/12/47/884151247.db2.gz HIHNKHZHCFUUKY-ICSRJNTNSA-N 1 2 390.405 3.554 20 30 GHEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@@H](O)Cc3ccccc3C(F)(F)F)CCO2)c1 ZINC000761765026 884151253 /nfs/dbraw/zinc/15/12/53/884151253.db2.gz HIHNKHZHCFUUKY-ICSRJNTNSA-N 1 2 390.405 3.554 20 30 GHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000476207370 884249098 /nfs/dbraw/zinc/24/90/98/884249098.db2.gz SKZHJNOLDDFWJF-OXQOHEQNSA-N 1 2 394.425 3.921 20 30 GHEDLO CN(C)c1ccc(C=[NH+]Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)s1 ZINC000914700073 884548443 /nfs/dbraw/zinc/54/84/43/884548443.db2.gz QKMLUKRFMLAZCO-UHFFFAOYSA-N 1 2 377.413 3.554 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)Nc1ccccc1-c1cc[nH]n1 ZINC001183838400 912842539 /nfs/dbraw/zinc/84/25/39/912842539.db2.gz GUKVEXPDPBGUEB-JOCHJYFZSA-N 1 2 385.471 3.942 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccccc1-c1cc[nH]n1 ZINC001183838400 912842555 /nfs/dbraw/zinc/84/25/55/912842555.db2.gz GUKVEXPDPBGUEB-JOCHJYFZSA-N 1 2 385.471 3.942 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000860494573 884738684 /nfs/dbraw/zinc/73/86/84/884738684.db2.gz LUBFTRCOUPAIQJ-WOJBJXKFSA-N 1 2 383.442 3.676 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000860494573 884738694 /nfs/dbraw/zinc/73/86/94/884738694.db2.gz LUBFTRCOUPAIQJ-WOJBJXKFSA-N 1 2 383.442 3.676 20 30 GHEDLO Cc1cc(Br)cn2c(/C=C\C(=O)c3cn4ccccc4n3)c[nH+]c12 ZINC000806555068 884805153 /nfs/dbraw/zinc/80/51/53/884805153.db2.gz KKQSIYHOOZAEGT-WAYWQWQTSA-N 1 2 381.233 3.949 20 30 GHEDLO CC1(C)CC(=[NH+]Nc2cc(CO)ccc2Br)c2cc(N)ccc2O1 ZINC000841651815 884837037 /nfs/dbraw/zinc/83/70/37/884837037.db2.gz AMLQEIUIZUNQEC-UHFFFAOYSA-N 1 2 390.281 3.901 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2cc(Br)ccc2OC)C1=O ZINC001275272872 912913001 /nfs/dbraw/zinc/91/30/01/912913001.db2.gz WIHDNNWYIVHAPF-LJQANCHMSA-N 1 2 393.325 3.601 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+]2Cc2cc(Br)ccc2OC)C1=O ZINC001275272872 912913018 /nfs/dbraw/zinc/91/30/18/912913018.db2.gz WIHDNNWYIVHAPF-LJQANCHMSA-N 1 2 393.325 3.601 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccc(Cl)c(Cl)c1)C2 ZINC001275281965 912962248 /nfs/dbraw/zinc/96/22/48/912962248.db2.gz KLDOHDBOOWZHGG-LJQANCHMSA-N 1 2 383.319 3.620 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C2 ZINC001275281965 912962258 /nfs/dbraw/zinc/96/22/58/912962258.db2.gz KLDOHDBOOWZHGG-LJQANCHMSA-N 1 2 383.319 3.620 20 30 GHEDLO C=CCn1c(COc2ccccc2)nnc1SCc1cc[nH+]c(N(C)C)c1 ZINC000762479058 886269527 /nfs/dbraw/zinc/26/95/27/886269527.db2.gz JNKVAYOJDYUOKG-UHFFFAOYSA-N 1 2 381.505 3.796 20 30 GHEDLO O=C(NCC#Cc1cccc(C(F)(F)F)c1)NCc1ccccc1-n1cc[nH+]c1 ZINC000056895032 886388890 /nfs/dbraw/zinc/38/88/90/886388890.db2.gz CGENLFWRBAIFIG-UHFFFAOYSA-N 1 2 398.388 3.742 20 30 GHEDLO N#Cc1ccc(-c2ccn(C[N@H+]3CCC[C@]4(CC(=O)c5ccccc5O4)C3)n2)cc1 ZINC000863299801 887013373 /nfs/dbraw/zinc/01/33/73/887013373.db2.gz UXNVRDHWTLIDDF-DEOSSOPVSA-N 1 2 398.466 3.879 20 30 GHEDLO N#Cc1ccc(-c2ccn(C[N@@H+]3CCC[C@]4(CC(=O)c5ccccc5O4)C3)n2)cc1 ZINC000863299801 887013384 /nfs/dbraw/zinc/01/33/84/887013384.db2.gz UXNVRDHWTLIDDF-DEOSSOPVSA-N 1 2 398.466 3.879 20 30 GHEDLO N#CCc1cccc2c1CC[N@@H+](CN1C[C@H](c3cccc(Cl)c3)CC1=O)C2 ZINC000863335722 887038267 /nfs/dbraw/zinc/03/82/67/887038267.db2.gz JPNRTPRIKRWEGP-LJQANCHMSA-N 1 2 379.891 3.738 20 30 GHEDLO N#CCc1cccc2c1CC[N@H+](CN1C[C@H](c3cccc(Cl)c3)CC1=O)C2 ZINC000863335722 887038280 /nfs/dbraw/zinc/03/82/80/887038280.db2.gz JPNRTPRIKRWEGP-LJQANCHMSA-N 1 2 379.891 3.738 20 30 GHEDLO C[C@H](O[NH+]=C(N)c1ccc(CNC(=O)OC(C)(C)C)cc1)c1cccc(C#N)c1 ZINC000794722170 887969776 /nfs/dbraw/zinc/96/97/76/887969776.db2.gz KVPISJRKQYCZRH-HNNXBMFYSA-N 1 2 394.475 3.981 20 30 GHEDLO COc1cccc(OC)c1OCCCCO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000809994564 888049888 /nfs/dbraw/zinc/04/98/88/888049888.db2.gz CSBCZEPEDDKKOF-UHFFFAOYSA-N 1 2 376.428 3.647 20 30 GHEDLO Fc1cc2[nH]c([N-][NH+]=Cc3c(Cl)cccc3N3CCOCC3)[nH+]c2cc1F ZINC000915958861 888575342 /nfs/dbraw/zinc/57/53/42/888575342.db2.gz AKFMINNFJBGRMB-UHFFFAOYSA-N 1 2 391.809 3.777 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000532768817 888874839 /nfs/dbraw/zinc/87/48/39/888874839.db2.gz ZVJCKHNPKVMFQB-MRXNPFEDSA-N 1 2 396.878 3.501 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000532768817 888874856 /nfs/dbraw/zinc/87/48/56/888874856.db2.gz ZVJCKHNPKVMFQB-MRXNPFEDSA-N 1 2 396.878 3.501 20 30 GHEDLO N#Cc1cc(F)c(N2CC[NH+](Cc3ccsc3)CC2)cc1Br ZINC001184674069 913332319 /nfs/dbraw/zinc/33/23/19/913332319.db2.gz RMADXYQGWOFLKP-UHFFFAOYSA-N 1 2 380.286 3.844 20 30 GHEDLO C[C@H]1C(N=Nc2ccc(S(=O)(=O)C(F)F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000811641137 889836438 /nfs/dbraw/zinc/83/64/38/889836438.db2.gz PAMYIITYIXJXOL-AWEZNQCLSA-N 1 2 393.459 3.745 20 30 GHEDLO C[C@H]1C(N=Nc2ccc(S(=O)(=O)C(F)F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000811641137 889836448 /nfs/dbraw/zinc/83/64/48/889836448.db2.gz PAMYIITYIXJXOL-AWEZNQCLSA-N 1 2 393.459 3.745 20 30 GHEDLO C=CC[NH+](CC=C)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccco1 ZINC000533239342 890051004 /nfs/dbraw/zinc/05/10/04/890051004.db2.gz WMZWQHGZZMZNTI-HXUWFJFHSA-N 1 2 379.460 3.640 20 30 GHEDLO C[N@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)Cc1cccc(C#N)c1 ZINC000026326029 890344785 /nfs/dbraw/zinc/34/47/85/890344785.db2.gz VTYQUNFEAYFGFA-LJQANCHMSA-N 1 2 388.427 3.554 20 30 GHEDLO C[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)Cc1cccc(C#N)c1 ZINC000026326029 890344800 /nfs/dbraw/zinc/34/48/00/890344800.db2.gz VTYQUNFEAYFGFA-LJQANCHMSA-N 1 2 388.427 3.554 20 30 GHEDLO N#Cc1ccc(C(=O)N(CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)o1 ZINC000814112480 892274176 /nfs/dbraw/zinc/27/41/76/892274176.db2.gz DGGWKGRCPAQNKZ-UHFFFAOYSA-N 1 2 386.814 3.873 20 30 GHEDLO C#CC1CC[NH+](Cc2csc(N(C(C)=O)c3ccc(F)cc3F)n2)CC1 ZINC000877606917 893713863 /nfs/dbraw/zinc/71/38/63/893713863.db2.gz PLLUJJMPRVDZEU-UHFFFAOYSA-N 1 2 375.444 3.951 20 30 GHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1nc2c(cc1C#N)C[C@H](C)CC2 ZINC001135108935 894019402 /nfs/dbraw/zinc/01/94/02/894019402.db2.gz VNUPOQYUSMBVOX-LLVKDONJSA-N 1 2 395.413 3.653 20 30 GHEDLO C=CCc1cc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)cc(OC)c1OC ZINC000816601434 894962501 /nfs/dbraw/zinc/96/25/01/894962501.db2.gz BSBLZYAOEFUOQK-WGSAOQKQSA-N 1 2 395.503 3.980 20 30 GHEDLO COC[C@H](C)n1c(C)cc(C(=O)C[N@@H+]2CCc3c(CC#N)cccc3C2)c1C ZINC000626129998 895396334 /nfs/dbraw/zinc/39/63/34/895396334.db2.gz FXFASOKTYMAXNB-KRWDZBQOSA-N 1 2 379.504 3.619 20 30 GHEDLO COC[C@H](C)n1c(C)cc(C(=O)C[N@H+]2CCc3c(CC#N)cccc3C2)c1C ZINC000626129998 895396354 /nfs/dbraw/zinc/39/63/54/895396354.db2.gz FXFASOKTYMAXNB-KRWDZBQOSA-N 1 2 379.504 3.619 20 30 GHEDLO Cc1csc([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)C2)n1 ZINC000880007192 895444314 /nfs/dbraw/zinc/44/43/14/895444314.db2.gz DIZZJPYNUSRHQW-CHWSQXEVSA-N 1 2 386.546 3.690 20 30 GHEDLO Cc1csc([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)C2)n1 ZINC000880007192 895444323 /nfs/dbraw/zinc/44/43/23/895444323.db2.gz DIZZJPYNUSRHQW-CHWSQXEVSA-N 1 2 386.546 3.690 20 30 GHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)O[C@H](C)C2)c1C ZINC000880059885 895484958 /nfs/dbraw/zinc/48/49/58/895484958.db2.gz LJSQPVWCYMVWIB-QAPCUYQASA-N 1 2 397.441 3.592 20 30 GHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](C(F)(F)F)O[C@H](C)C2)c1C ZINC000880059885 895484964 /nfs/dbraw/zinc/48/49/64/895484964.db2.gz LJSQPVWCYMVWIB-QAPCUYQASA-N 1 2 397.441 3.592 20 30 GHEDLO CCc1cc(NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)nc(CC)[nH+]1 ZINC001185594389 913981646 /nfs/dbraw/zinc/98/16/46/913981646.db2.gz VWKTTXPABVBVPA-UHFFFAOYSA-N 1 2 389.507 3.594 20 30 GHEDLO C[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000566300290 896224543 /nfs/dbraw/zinc/22/45/43/896224543.db2.gz FZYXAGRFXDBEKP-ROUUACIJSA-N 1 2 392.242 3.863 20 30 GHEDLO C[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000566300290 896224561 /nfs/dbraw/zinc/22/45/61/896224561.db2.gz FZYXAGRFXDBEKP-ROUUACIJSA-N 1 2 392.242 3.863 20 30 GHEDLO C=C(Br)C[NH2+][C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000774920097 914053819 /nfs/dbraw/zinc/05/38/19/914053819.db2.gz QYYMWOJWIQIHHD-AWEZNQCLSA-N 1 2 391.231 3.867 20 30 GHEDLO N#C[C@H](C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nc2ccccc2s1 ZINC000041504718 896354704 /nfs/dbraw/zinc/35/47/04/896354704.db2.gz MPWMKUAHWTVSTP-CYBMUJFWSA-N 1 2 389.396 3.880 20 30 GHEDLO N#Cc1ccnnc1N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001185874528 914134180 /nfs/dbraw/zinc/13/41/80/914134180.db2.gz LOYRIFGBVHNFJT-OAQYLSRUSA-N 1 2 389.890 3.913 20 30 GHEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000567607488 897291762 /nfs/dbraw/zinc/29/17/62/897291762.db2.gz XXSFZIAMKZLUQZ-UDTPNQRGSA-N 1 2 395.906 3.505 20 30 GHEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000567607488 897291772 /nfs/dbraw/zinc/29/17/72/897291772.db2.gz XXSFZIAMKZLUQZ-UDTPNQRGSA-N 1 2 395.906 3.505 20 30 GHEDLO C=C(C)CN1C[C@@]2(F)C[N@H+](C[C@H]3C[C@@H]3c3ccc(Cl)cc3)C[C@@]2(F)C1=O ZINC001275477165 914154781 /nfs/dbraw/zinc/15/47/81/914154781.db2.gz GZPLTWNZRDXOBJ-WSTLGDPDSA-N 1 2 380.866 3.594 20 30 GHEDLO C=C(C)CN1C[C@@]2(F)C[N@@H+](C[C@H]3C[C@@H]3c3ccc(Cl)cc3)C[C@@]2(F)C1=O ZINC001275477165 914154787 /nfs/dbraw/zinc/15/47/87/914154787.db2.gz GZPLTWNZRDXOBJ-WSTLGDPDSA-N 1 2 380.866 3.594 20 30 GHEDLO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000822493925 898376432 /nfs/dbraw/zinc/37/64/32/898376432.db2.gz BRMHXVUBUOKTPM-ZANVPECISA-N 1 2 391.103 3.598 20 30 GHEDLO C=CCc1ccc(OCC(=O)Nc2ccc(-n3cc[nH+]c3)c(C)c2)c(OC)c1 ZINC001136624393 898603819 /nfs/dbraw/zinc/60/38/19/898603819.db2.gz USYRVPISRDPLOM-UHFFFAOYSA-N 1 2 377.444 3.935 20 30 GHEDLO N#CCCC[N@H+]1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000111307798 898796646 /nfs/dbraw/zinc/79/66/46/898796646.db2.gz IQWHFTALVFSYIJ-HNNXBMFYSA-N 1 2 375.270 3.864 20 30 GHEDLO N#CCCC[N@@H+]1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000111307798 898796650 /nfs/dbraw/zinc/79/66/50/898796650.db2.gz IQWHFTALVFSYIJ-HNNXBMFYSA-N 1 2 375.270 3.864 20 30 GHEDLO COc1ccc(CNc2ccc([NH+]3CCC(O)CC3)cc2)cc1OCCCC#N ZINC000114762632 899119890 /nfs/dbraw/zinc/11/98/90/899119890.db2.gz HHUNUDIFFPGTEO-UHFFFAOYSA-N 1 2 395.503 3.951 20 30 GHEDLO C[C@H](c1nnc(Sc2ccnc(C#N)n2)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000570827075 899622027 /nfs/dbraw/zinc/62/20/27/899622027.db2.gz OJXCKRAHJKIABZ-OAHLLOKOSA-N 1 2 391.504 3.627 20 30 GHEDLO COc1cccc(C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@H]2CCCO2)c1 ZINC000570848131 899636641 /nfs/dbraw/zinc/63/66/41/899636641.db2.gz KDZSRQGJFNBRLG-HXUWFJFHSA-N 1 2 381.432 3.656 20 30 GHEDLO COc1cccc(C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@H]2CCCO2)c1 ZINC000570848131 899636646 /nfs/dbraw/zinc/63/66/46/899636646.db2.gz KDZSRQGJFNBRLG-HXUWFJFHSA-N 1 2 381.432 3.656 20 30 GHEDLO COC(=O)C1(C#N)CC[NH+](Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000824867095 899845192 /nfs/dbraw/zinc/84/51/92/899845192.db2.gz LRRPOKATRIZWHE-UHFFFAOYSA-N 1 2 392.503 3.504 20 30 GHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1=S ZINC000884483069 900127190 /nfs/dbraw/zinc/12/71/90/900127190.db2.gz NCHBSUJMSHSTEI-MOPGFXCFSA-N 1 2 384.549 3.649 20 30 GHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1=S ZINC000884483069 900127201 /nfs/dbraw/zinc/12/72/01/900127201.db2.gz NCHBSUJMSHSTEI-MOPGFXCFSA-N 1 2 384.549 3.649 20 30 GHEDLO N#Cc1cccc(Cl)c1C[NH+]1CCC2(CC1)NC(=O)C[C@@H]2c1ccccc1 ZINC001143723430 900442614 /nfs/dbraw/zinc/44/26/14/900442614.db2.gz FHWSCYJSUPZXCB-LJQANCHMSA-N 1 2 379.891 3.850 20 30 GHEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CCC[C@@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001143725085 900444015 /nfs/dbraw/zinc/44/40/15/900444015.db2.gz VDUZRECJQQPSND-JOCHJYFZSA-N 1 2 394.906 3.764 20 30 GHEDLO N#Cc1cccc(Cl)c1C[N@H+]1CCC[C@@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001143725085 900444021 /nfs/dbraw/zinc/44/40/21/900444021.db2.gz VDUZRECJQQPSND-JOCHJYFZSA-N 1 2 394.906 3.764 20 30 GHEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CCC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001143724458 900444084 /nfs/dbraw/zinc/44/40/84/900444084.db2.gz PPNHBLNEOIVOIX-GHTZIAJQSA-N 1 2 383.879 3.809 20 30 GHEDLO N#Cc1cccc(Cl)c1C[N@H+]1CCC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001143724458 900444088 /nfs/dbraw/zinc/44/40/88/900444088.db2.gz PPNHBLNEOIVOIX-GHTZIAJQSA-N 1 2 383.879 3.809 20 30 GHEDLO N#CCCn1cc(C[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)c(-c2ccncc2)n1 ZINC000573554047 900555826 /nfs/dbraw/zinc/55/58/26/900555826.db2.gz FHXPVUPDBYSZQJ-OAQYLSRUSA-N 1 2 391.450 3.571 20 30 GHEDLO N#CCCn1cc(C[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)c(-c2ccncc2)n1 ZINC000573554047 900555836 /nfs/dbraw/zinc/55/58/36/900555836.db2.gz FHXPVUPDBYSZQJ-OAQYLSRUSA-N 1 2 391.450 3.571 20 30 GHEDLO CC[C@H](CC#N)[NH2+][C@@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O ZINC000576596155 902115725 /nfs/dbraw/zinc/11/57/25/902115725.db2.gz SHUKNUGUFMUSPS-HZPDHXFCSA-N 1 2 378.314 3.843 20 30 GHEDLO C[N@@H+](Cc1c(F)ccc(C2OCCO2)c1Cl)C[C@H](O)c1cccc(C#N)c1 ZINC000846008195 902588729 /nfs/dbraw/zinc/58/87/29/902588729.db2.gz SXFADYMINJNUMQ-SFHVURJKSA-N 1 2 390.842 3.562 20 30 GHEDLO C[N@H+](Cc1c(F)ccc(C2OCCO2)c1Cl)C[C@H](O)c1cccc(C#N)c1 ZINC000846008195 902588733 /nfs/dbraw/zinc/58/87/33/902588733.db2.gz SXFADYMINJNUMQ-SFHVURJKSA-N 1 2 390.842 3.562 20 30 GHEDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1 ZINC001147578747 903826802 /nfs/dbraw/zinc/82/68/02/903826802.db2.gz PJSHIYMQLPCQMC-XPWALMASSA-N 1 2 389.499 3.568 20 30 GHEDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1 ZINC001147578747 903826813 /nfs/dbraw/zinc/82/68/13/903826813.db2.gz PJSHIYMQLPCQMC-XPWALMASSA-N 1 2 389.499 3.568 20 30 GHEDLO CCn1cncc1/C=C1\CC2(CCOCC2)C/C(=C\c2c[nH+]cn2CC)C1=O ZINC000901480266 921149447 /nfs/dbraw/zinc/14/94/47/921149447.db2.gz ADDGDPACVTZQKI-BEQMOXJMSA-N 1 2 380.492 3.746 20 30 GHEDLO CCCCCCC[C@@H](CCC)[N@H+]1Cc2c(n(C)nc2C(=O)N2CCOCC2)C1 ZINC001172511114 905604076 /nfs/dbraw/zinc/60/40/76/905604076.db2.gz NFMQYSVZPKRQMY-GOSISDBHSA-N 1 2 390.572 3.737 20 30 GHEDLO CCCCCCC[C@@H](CCC)[N@@H+]1Cc2c(n(C)nc2C(=O)N2CCOCC2)C1 ZINC001172511114 905604082 /nfs/dbraw/zinc/60/40/82/905604082.db2.gz NFMQYSVZPKRQMY-GOSISDBHSA-N 1 2 390.572 3.737 20 30 GHEDLO CO[C@@H](C)c1nc(CO[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)cs1 ZINC000177571447 906168066 /nfs/dbraw/zinc/16/80/66/906168066.db2.gz OEGVFIVRTBZFAU-AWEZNQCLSA-N 1 2 398.488 3.662 20 30 GHEDLO Cc1ccc2[nH+]c(CSCC(=O)Nc3ccccc3O[C@H](C)C#N)cn2c1 ZINC000180352662 906753906 /nfs/dbraw/zinc/75/39/06/906753906.db2.gz XSGWXAWKMXMCIQ-OAHLLOKOSA-N 1 2 380.473 3.806 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[NH+](Cc2ccc(Nc3cccnc3C#N)cc2)CC1 ZINC001176039769 907898849 /nfs/dbraw/zinc/89/88/49/907898849.db2.gz JBZUAHRACULJFD-UHFFFAOYSA-N 1 2 393.491 3.750 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(c2ncccn2)CC1 ZINC001176294998 908016738 /nfs/dbraw/zinc/01/67/38/908016738.db2.gz KGWJBFZBBXZTMW-MRXNPFEDSA-N 1 2 395.532 3.689 20 30 GHEDLO N#Cc1cccc([C@@H](O)C[N@@H+]2CCc3cc(F)c(Br)cc3C2)c1 ZINC001176453516 908116518 /nfs/dbraw/zinc/11/65/18/908116518.db2.gz VUVASLUQEFOUMF-SFHVURJKSA-N 1 2 375.241 3.552 20 30 GHEDLO N#Cc1cccc([C@@H](O)C[N@H+]2CCc3cc(F)c(Br)cc3C2)c1 ZINC001176453516 908116526 /nfs/dbraw/zinc/11/65/26/908116526.db2.gz VUVASLUQEFOUMF-SFHVURJKSA-N 1 2 375.241 3.552 20 30 GHEDLO C#CCCOc1ccc(C[NH2+][C@H](C)c2nc(-c3ccccc3OC)no2)cc1 ZINC000266154199 909021190 /nfs/dbraw/zinc/02/11/90/909021190.db2.gz LJLGVTMLJSZMSR-MRXNPFEDSA-N 1 2 377.444 3.998 20 30 GHEDLO C#CC[C@H]([NH2+]Cc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1)c1ccccc1 ZINC000271680162 911011483 /nfs/dbraw/zinc/01/14/83/911011483.db2.gz IJEJONDGNMKQBB-KRWDZBQOSA-N 1 2 393.443 3.617 20 30 GHEDLO Cc1nsc(N2CC[NH+](Cc3cc4nc(Cl)ccc4s3)CC2)c1C#N ZINC001182129401 911187513 /nfs/dbraw/zinc/18/75/13/911187513.db2.gz XGVZQNQPIKZSDQ-UHFFFAOYSA-N 1 2 389.937 3.909 20 30 GHEDLO COc1cccc([C@@H](C)N2CC[NH+](Cc3ccc(O[C@@H](C)C#N)cc3)CC2)c1 ZINC000093078614 912048800 /nfs/dbraw/zinc/04/88/00/912048800.db2.gz WCIMGDUQTANTDL-RBUKOAKNSA-N 1 2 379.504 3.865 20 30 GHEDLO O=C(c1cc(F)c(F)c(C(F)(F)F)c1)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001189350734 916590773 /nfs/dbraw/zinc/59/07/73/916590773.db2.gz YNIWRZNFUMKWLF-CYBMUJFWSA-N 1 2 398.322 3.929 20 30 GHEDLO Cc1sc(NC(=O)C[NH+]2CCC([C@@H](O)c3ccccc3C)CC2)c(C#N)c1C ZINC000796421387 916872697 /nfs/dbraw/zinc/87/26/97/916872697.db2.gz VWUIKUJXLJJYOI-OAQYLSRUSA-N 1 2 397.544 3.929 20 30 GHEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC001190456988 917356544 /nfs/dbraw/zinc/35/65/44/917356544.db2.gz GQVOYHXJTCCONS-GOSISDBHSA-N 1 2 389.293 3.672 20 30 GHEDLO C=CC[N@H+](Cc1ccc(OC)cc1)[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC001190456988 917356551 /nfs/dbraw/zinc/35/65/51/917356551.db2.gz GQVOYHXJTCCONS-GOSISDBHSA-N 1 2 389.293 3.672 20 30 GHEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC000796462690 917541111 /nfs/dbraw/zinc/54/11/11/917541111.db2.gz CRERGNSIEKKDMP-GOSISDBHSA-N 1 2 381.451 3.836 20 30 GHEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC000796462690 917541121 /nfs/dbraw/zinc/54/11/21/917541121.db2.gz CRERGNSIEKKDMP-GOSISDBHSA-N 1 2 381.451 3.836 20 30 GHEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1sc(N2CCCC2)nc1Cl ZINC001275854674 918748459 /nfs/dbraw/zinc/74/84/59/918748459.db2.gz QCQKDWGWBIIZKL-IBGZPJMESA-N 1 2 394.972 3.540 20 30 GHEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1sc(N2CCCC2)nc1Cl ZINC001275854674 918748469 /nfs/dbraw/zinc/74/84/69/918748469.db2.gz QCQKDWGWBIIZKL-IBGZPJMESA-N 1 2 394.972 3.540 20 30 GHEDLO NC(=NOCc1ccc(Cl)c(Cl)c1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000116600218 919513517 /nfs/dbraw/zinc/51/35/17/919513517.db2.gz PGOLSIJMZOUEFS-UHFFFAOYSA-N 1 2 394.302 3.663 20 30 GHEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cccc(Cl)c1Br ZINC001275976231 920601919 /nfs/dbraw/zinc/60/19/19/920601919.db2.gz AWJYRYGXRNMOAR-SFHVURJKSA-N 1 2 395.728 3.693 20 30 GHEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(Cl)c1Br ZINC001275976231 920601926 /nfs/dbraw/zinc/60/19/26/920601926.db2.gz AWJYRYGXRNMOAR-SFHVURJKSA-N 1 2 395.728 3.693 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[C@H](C(F)(F)F)C3)CC2)cc1 ZINC000298691667 920812587 /nfs/dbraw/zinc/81/25/87/920812587.db2.gz YYEWBLUUCNYVQW-MSOLQXFVSA-N 1 2 379.426 3.571 20 30 GHEDLO Cn1cc[nH+]c1CCCOC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000802782908 922402015 /nfs/dbraw/zinc/40/20/15/922402015.db2.gz BCCGHVLDVODSFG-UHFFFAOYSA-N 1 2 375.428 3.660 20 30 GHEDLO N#Cc1ccccc1Oc1ccc(NC(=O)N2CCn3c[nH+]cc3C2)cc1F ZINC000368126076 922491425 /nfs/dbraw/zinc/49/14/25/922491425.db2.gz OEFAGFQETWGRNS-UHFFFAOYSA-N 1 2 377.379 3.734 20 30 GHEDLO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000368516529 922723198 /nfs/dbraw/zinc/72/31/98/922723198.db2.gz ZHWQFQFKIJVTRO-RBUKOAKNSA-N 1 2 376.504 3.513 20 30 GHEDLO C[C@H]([NH2+]CC1(c2ccccc2)CC(O)(C(F)(F)F)C1)c1cccc(C#N)c1O ZINC000903399026 922990108 /nfs/dbraw/zinc/99/01/08/922990108.db2.gz MFDAVPMEBQEEEJ-JAGHRAMZSA-N 1 2 390.405 3.940 20 30 GHEDLO COC(=O)c1ccoc1CO[NH+]=C(N)c1ccc(COc2ccccc2F)cc1 ZINC000748797310 923833670 /nfs/dbraw/zinc/83/36/70/923833670.db2.gz RIXXZHWBJRZXCV-UHFFFAOYSA-N 1 2 398.390 3.621 20 30 GHEDLO CCN(C(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000370294931 924018008 /nfs/dbraw/zinc/01/80/08/924018008.db2.gz SZPLYDDNOCFIKR-SFHVURJKSA-N 1 2 394.494 3.688 20 30 GHEDLO C=CC[N@H+](Cc1cn(Cc2ccccc2)c2ccccc12)[C@H]1CCS(=O)(=O)C1 ZINC000678205287 924664284 /nfs/dbraw/zinc/66/42/84/924664284.db2.gz WIDZTKBTKZGDRA-NRFANRHFSA-N 1 2 394.540 3.865 20 30 GHEDLO C=CC[N@@H+](Cc1cn(Cc2ccccc2)c2ccccc12)[C@H]1CCS(=O)(=O)C1 ZINC000678205287 924664287 /nfs/dbraw/zinc/66/42/87/924664287.db2.gz WIDZTKBTKZGDRA-NRFANRHFSA-N 1 2 394.540 3.865 20 30 GHEDLO C[C@]1(C#N)CCC[N@H+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC000680104545 925364994 /nfs/dbraw/zinc/36/49/94/925364994.db2.gz MJBSLPUYQXOPRM-HSZRJFAPSA-N 1 2 375.472 3.872 20 30 GHEDLO C[C@]1(C#N)CCC[N@@H+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC000680104545 925365006 /nfs/dbraw/zinc/36/50/06/925365006.db2.gz MJBSLPUYQXOPRM-HSZRJFAPSA-N 1 2 375.472 3.872 20 30 GHEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000372397321 925390802 /nfs/dbraw/zinc/39/08/02/925390802.db2.gz UDIDPGWXDQVFGA-INIZCTEOSA-N 1 2 382.464 3.761 20 30 GHEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000372397321 925390811 /nfs/dbraw/zinc/39/08/11/925390811.db2.gz UDIDPGWXDQVFGA-INIZCTEOSA-N 1 2 382.464 3.761 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411949482 926939470 /nfs/dbraw/zinc/93/94/70/926939470.db2.gz QQLZWLTYMXABHT-POAQFYNOSA-N 1 2 395.528 3.685 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411949482 926939479 /nfs/dbraw/zinc/93/94/79/926939479.db2.gz QQLZWLTYMXABHT-POAQFYNOSA-N 1 2 395.528 3.685 20 30 GHEDLO CC1CCC(N(C(=O)C[NH+]2CCC(C#N)(c3ccccn3)CC2)C2CC2)CC1 ZINC000374297803 926996869 /nfs/dbraw/zinc/99/68/69/926996869.db2.gz ZXKKLNLKLUPQSM-UHFFFAOYSA-N 1 2 380.536 3.508 20 30 GHEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000374341825 927034905 /nfs/dbraw/zinc/03/49/05/927034905.db2.gz QPTKGXUESCKZKI-FQEVSTJZSA-N 1 2 386.455 3.500 20 30 GHEDLO Cc1ccc(C(=O)CCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)s1 ZINC000374866141 927622008 /nfs/dbraw/zinc/62/20/08/927622008.db2.gz UORNRAHMEJFMBC-UHFFFAOYSA-N 1 2 395.528 3.694 20 30 GHEDLO C=CCn1c(COc2ccccc2F)nn(C[NH+]2C[C@@H](C)[C@H](C)C2)c1=S ZINC000751930926 928487568 /nfs/dbraw/zinc/48/75/68/928487568.db2.gz VSYOSURBWSTGLC-HUUCEWRRSA-N 1 2 376.501 3.863 20 30 GHEDLO C#CC[C@H](NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)c1ccccc1 ZINC000757884375 929838559 /nfs/dbraw/zinc/83/85/59/929838559.db2.gz ZCFVISQIPZAXIB-GCJKJVERSA-N 1 2 377.488 3.966 20 30 GHEDLO Cc1ccn(C[NH+]2CCC(c3ccccc3C(F)(F)F)CC2)c(=O)c1C#N ZINC000758236241 929983076 /nfs/dbraw/zinc/98/30/76/929983076.db2.gz MDOAKPQGKFLBPI-UHFFFAOYSA-N 1 2 375.394 3.884 20 30 GHEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H](Oc1ccccc1C#N)C(C)C ZINC000469938680 930268040 /nfs/dbraw/zinc/26/80/40/930268040.db2.gz LKFZXULRASKERP-NRFANRHFSA-N 1 2 382.508 3.659 20 30 GHEDLO Cc1cc(Br)cn2cc(CCNC(=O)Nc3ccc(C#N)cc3)[nH+]c12 ZINC000546762087 930411966 /nfs/dbraw/zinc/41/19/66/930411966.db2.gz UIJAMOKILMXCLN-UHFFFAOYSA-N 1 2 398.264 3.641 20 30 GHEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000780577797 930551595 /nfs/dbraw/zinc/55/15/95/930551595.db2.gz SLYORCKOBRHIDR-INIZCTEOSA-N 1 2 391.431 3.897 20 30 GHEDLO Cc1cc(C#N)nc(Sc2nnc([C@H](C)[NH+](C)C)n2-c2ccc(Cl)cc2)n1 ZINC000557475216 931458468 /nfs/dbraw/zinc/45/84/68/931458468.db2.gz FPZVXTKYPTXUCS-LBPRGKRZSA-N 1 2 399.911 3.665 20 30 GHEDLO CC[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1cccc(C#N)c1O ZINC000924758800 931526684 /nfs/dbraw/zinc/52/66/84/931526684.db2.gz BCFINLCBQYNPIJ-JOCHJYFZSA-N 1 2 379.504 3.713 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](CN3C[C@@H](c4ccccc4F)CC3=O)CC2)cc1 ZINC000783975486 931736688 /nfs/dbraw/zinc/73/66/88/931736688.db2.gz AITVOSZOUHXTRQ-SFHVURJKSA-N 1 2 393.462 3.514 20 30 GHEDLO C=CCn1c2nn(C[N@H+]3CC[C@H](C(C)(C)C)C3)c(=S)n2c2ccccc2c1=O ZINC000784033312 931762527 /nfs/dbraw/zinc/76/25/27/931762527.db2.gz FFHJEZKIIAFCII-HNNXBMFYSA-N 1 2 397.548 3.692 20 30 GHEDLO C=CCn1c2nn(C[N@@H+]3CC[C@H](C(C)(C)C)C3)c(=S)n2c2ccccc2c1=O ZINC000784033312 931762530 /nfs/dbraw/zinc/76/25/30/931762530.db2.gz FFHJEZKIIAFCII-HNNXBMFYSA-N 1 2 397.548 3.692 20 30 GHEDLO CC(C)(C)N(Cc1ccccc1)C(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000558627734 932121152 /nfs/dbraw/zinc/12/11/52/932121152.db2.gz VGXPLCSQGDCNPT-UHFFFAOYSA-N 1 2 390.531 3.766 20 30 GHEDLO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@H](C)c1csnn1 ZINC000926590555 932238737 /nfs/dbraw/zinc/23/87/37/932238737.db2.gz SDMVFFJYUXGDLQ-ZIAGYGMSSA-N 1 2 379.530 3.508 20 30 GHEDLO C[C@H]([NH2+]C1(c2ncc(Br)cn2)CCC1)c1ccc(OCC#N)cc1 ZINC000927147775 932431336 /nfs/dbraw/zinc/43/13/36/932431336.db2.gz QDGJCJBNPIAMJU-ZDUSSCGKSA-N 1 2 387.281 3.871 20 30 GHEDLO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H]([NH2+]Cc2cc(Cl)cc3cccnc32)C1 ZINC000798274809 932587249 /nfs/dbraw/zinc/58/72/49/932587249.db2.gz KUVQITHTHANJTO-DOTOQJQBSA-N 1 2 386.883 3.737 20 30 GHEDLO CC(C)[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CCCO1 ZINC000559496352 932706527 /nfs/dbraw/zinc/70/65/27/932706527.db2.gz UITKQVMEIKJOIF-YJBOKZPZSA-N 1 2 389.565 3.963 20 30 GHEDLO CC(C)[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CCCO1 ZINC000559496352 932706533 /nfs/dbraw/zinc/70/65/33/932706533.db2.gz UITKQVMEIKJOIF-YJBOKZPZSA-N 1 2 389.565 3.963 20 30 GHEDLO CCn1nccc1C1CC[NH+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000559551465 932729645 /nfs/dbraw/zinc/72/96/45/932729645.db2.gz ZYZNHTXQHHYXAV-CQSZACIVSA-N 1 2 397.548 3.531 20 30 GHEDLO C[C@H](c1nnc(N(C)Cc2cc(C#N)cs2)n1C)[N@H+](C)Cc1ccccc1 ZINC001121418987 934652487 /nfs/dbraw/zinc/65/24/87/934652487.db2.gz KZSNEOMHZFRQGB-OAHLLOKOSA-N 1 2 380.521 3.578 20 30 GHEDLO C[C@H](c1nnc(N(C)Cc2cc(C#N)cs2)n1C)[N@@H+](C)Cc1ccccc1 ZINC001121418987 934652492 /nfs/dbraw/zinc/65/24/92/934652492.db2.gz KZSNEOMHZFRQGB-OAHLLOKOSA-N 1 2 380.521 3.578 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)[C@H]1CCc2ccccc21 ZINC001121684797 934738226 /nfs/dbraw/zinc/73/82/26/934738226.db2.gz SGADWECJXYCDFA-NRFANRHFSA-N 1 2 390.535 3.681 20 30 GHEDLO C[N@@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@@H](CC#N)C2)n1Cc1ccccc1 ZINC001122080820 934817151 /nfs/dbraw/zinc/81/71/51/934817151.db2.gz IDKNZDNQNAFFEL-VQTJNVASSA-N 1 2 378.524 3.613 20 30 GHEDLO C[N@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@@H](CC#N)C2)n1Cc1ccccc1 ZINC001122080820 934817155 /nfs/dbraw/zinc/81/71/55/934817155.db2.gz IDKNZDNQNAFFEL-VQTJNVASSA-N 1 2 378.524 3.613 20 30 GHEDLO C[C@H](c1nnc(-c2ccccc2F)s1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000562363108 934837172 /nfs/dbraw/zinc/83/71/72/934837172.db2.gz BITCAMBQYQIPEL-HIFRSBDPSA-N 1 2 395.463 3.825 20 30 GHEDLO C[C@H](c1nnc(-c2ccccc2F)s1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000562363108 934837175 /nfs/dbraw/zinc/83/71/75/934837175.db2.gz BITCAMBQYQIPEL-HIFRSBDPSA-N 1 2 395.463 3.825 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@@H]2OCC[C@@H]2C1 ZINC001122441888 934870865 /nfs/dbraw/zinc/87/08/65/934870865.db2.gz WTSZXLMQYXEICR-TYPHKJRUSA-N 1 2 395.551 3.662 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@@H]2OCC[C@@H]2C1 ZINC001122441888 934870868 /nfs/dbraw/zinc/87/08/68/934870868.db2.gz WTSZXLMQYXEICR-TYPHKJRUSA-N 1 2 395.551 3.662 20 30 GHEDLO CC(C)[N@@H+]1CCC[C@@H]1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC001124231260 935360993 /nfs/dbraw/zinc/36/09/93/935360993.db2.gz UEVPHIINXQRPCW-OAHLLOKOSA-N 1 2 387.534 3.513 20 30 GHEDLO CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC001124231260 935360994 /nfs/dbraw/zinc/36/09/94/935360994.db2.gz UEVPHIINXQRPCW-OAHLLOKOSA-N 1 2 387.534 3.513 20 30 GHEDLO C=CC[NH+]1CCC([NH2+]Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)CC1 ZINC001588838603 984338994 /nfs/dbraw/zinc/33/89/94/984338994.db2.gz HDRCUWUFVQVZGQ-UHFFFAOYSA-N 1 2 380.488 3.704 20 30 GHEDLO CC(C)C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000558163628 1017129075 /nfs/dbraw/zinc/12/90/75/1017129075.db2.gz VXCQTBVPBMVXMK-FQEVSTJZSA-N 1 2 384.911 3.912 20 30 GHEDLO CC(C)C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000558163628 1017129083 /nfs/dbraw/zinc/12/90/83/1017129083.db2.gz VXCQTBVPBMVXMK-FQEVSTJZSA-N 1 2 384.911 3.912 20 30 GHEDLO CCOC(=O)c1cc2cc(N3CC[NH+](Cc4ccccc4C#N)CC3)ccc2o1 ZINC001204373920 1032815306 /nfs/dbraw/zinc/81/53/06/1032815306.db2.gz YEUOAXSZFZDXPR-UHFFFAOYSA-N 1 2 389.455 3.803 20 30 GHEDLO C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000577771379 1020289123 /nfs/dbraw/zinc/28/91/23/1020289123.db2.gz PHTOPSMSHGOGGD-UHFFFAOYSA-N 1 2 380.883 3.506 20 30 GHEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228376655 1032910149 /nfs/dbraw/zinc/91/01/49/1032910149.db2.gz DYTFFDOYQHMBOV-WWGWWSPFSA-N 1 2 379.353 3.901 20 30 GHEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228376655 1032910154 /nfs/dbraw/zinc/91/01/54/1032910154.db2.gz DYTFFDOYQHMBOV-WWGWWSPFSA-N 1 2 379.353 3.901 20 30 GHEDLO N#Cc1nccnc1N1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)o2)CC1 ZINC001204710244 1033036599 /nfs/dbraw/zinc/03/65/99/1033036599.db2.gz DPLFLWWUFWHOET-UHFFFAOYSA-N 1 2 379.851 3.584 20 30 GHEDLO CC(C)C[C@@H](C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1)n1cc[nH+]c1 ZINC001156561949 1033104337 /nfs/dbraw/zinc/10/43/37/1033104337.db2.gz PDZPBODUBJMFLJ-PMACEKPBSA-N 1 2 399.926 3.533 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC2(C[NH+](Cc3sc(N)c(C#N)c3Cl)C2)CC1 ZINC001141107240 1023516855 /nfs/dbraw/zinc/51/68/55/1023516855.db2.gz VCACSOVYBNJAHN-UHFFFAOYSA-N 1 2 396.944 3.688 20 30 GHEDLO C=CCOC[C@H]1C[N@H+](Cc2ccc3ncccc3c2)Cc2nnn(CC3CC3)c21 ZINC001138107513 1024117822 /nfs/dbraw/zinc/11/78/22/1024117822.db2.gz XOZALNDVWJOANJ-HXUWFJFHSA-N 1 2 389.503 3.538 20 30 GHEDLO C=CCOC[C@H]1C[N@@H+](Cc2ccc3ncccc3c2)Cc2nnn(CC3CC3)c21 ZINC001138107513 1024117835 /nfs/dbraw/zinc/11/78/35/1024117835.db2.gz XOZALNDVWJOANJ-HXUWFJFHSA-N 1 2 389.503 3.538 20 30 GHEDLO CCOCc1nnn2c1C[N@H+](Cc1ccc(C#Cc3ccccc3)cc1)CCC2 ZINC001138335312 1024697033 /nfs/dbraw/zinc/69/70/33/1024697033.db2.gz MKSUIRZJDDXZDH-UHFFFAOYSA-N 1 2 386.499 3.620 20 30 GHEDLO CCOCc1nnn2c1C[N@@H+](Cc1ccc(C#Cc3ccccc3)cc1)CCC2 ZINC001138335312 1024697037 /nfs/dbraw/zinc/69/70/37/1024697037.db2.gz MKSUIRZJDDXZDH-UHFFFAOYSA-N 1 2 386.499 3.620 20 30 GHEDLO C#CCOc1ccc(C[N@H+]2CCc3sc(C(=O)OCC)cc3C2)cc1OC ZINC001138345409 1024707150 /nfs/dbraw/zinc/70/71/50/1024707150.db2.gz FQFSWINOEPUONO-UHFFFAOYSA-N 1 2 385.485 3.504 20 30 GHEDLO C#CCOc1ccc(C[N@@H+]2CCc3sc(C(=O)OCC)cc3C2)cc1OC ZINC001138345409 1024707161 /nfs/dbraw/zinc/70/71/61/1024707161.db2.gz FQFSWINOEPUONO-UHFFFAOYSA-N 1 2 385.485 3.504 20 30 GHEDLO Cc1nn(-c2cccc(C)c2)cc1C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001205082983 1033240953 /nfs/dbraw/zinc/24/09/53/1033240953.db2.gz UIORBTFHEIIRDK-UHFFFAOYSA-N 1 2 385.515 3.679 20 30 GHEDLO C#C[C@H](NC(=O)N(CCCn1cc[nH+]c1)Cc1ccccc1OCC)C(C)C ZINC000838596899 1025226867 /nfs/dbraw/zinc/22/68/67/1025226867.db2.gz XLLIQOUKEFZZDE-FQEVSTJZSA-N 1 2 382.508 3.542 20 30 GHEDLO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000839013772 1025518997 /nfs/dbraw/zinc/51/89/97/1025518997.db2.gz RQQKAMKNRPTKDU-INIZCTEOSA-N 1 2 388.468 3.736 20 30 GHEDLO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000839013772 1025519001 /nfs/dbraw/zinc/51/90/01/1025519001.db2.gz RQQKAMKNRPTKDU-INIZCTEOSA-N 1 2 388.468 3.736 20 30 GHEDLO C[C@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccc(N2CCCCC2=O)cc1 ZINC000839016063 1025520113 /nfs/dbraw/zinc/52/01/13/1025520113.db2.gz WCMGZUYTDFDARC-HNNXBMFYSA-N 1 2 378.432 3.834 20 30 GHEDLO CC(C)c1nc(C[NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)cs1 ZINC001138888572 1025531638 /nfs/dbraw/zinc/53/16/38/1025531638.db2.gz JTUVRMMHZFFXQK-UHFFFAOYSA-N 1 2 383.521 3.924 20 30 GHEDLO CC(C)(C)[NH+]1CC(NC(F)(F)c2cc(-c3cccc(C#N)c3)nnc2Cl)C1 ZINC001162225022 1025678748 /nfs/dbraw/zinc/67/87/48/1025678748.db2.gz ASUSVRWSGRBNSP-UHFFFAOYSA-N 1 2 391.853 3.790 20 30 GHEDLO Cc1ccn2c(CNc3cc(/C=N/[S@@](=O)C(C)(C)C)cc(C)[nH+]3)cnc2c1 ZINC001162819654 1025929793 /nfs/dbraw/zinc/92/97/93/1025929793.db2.gz IJMXNPHDLLQKEO-NDAJGKTFSA-N 1 2 383.521 3.839 20 30 GHEDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001139133990 1025945908 /nfs/dbraw/zinc/94/59/08/1025945908.db2.gz VKRSZYBUVUMJHL-GOSISDBHSA-N 1 2 390.439 3.722 20 30 GHEDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001139133990 1025945915 /nfs/dbraw/zinc/94/59/15/1025945915.db2.gz VKRSZYBUVUMJHL-GOSISDBHSA-N 1 2 390.439 3.722 20 30 GHEDLO N#Cc1ccc(Br)c(C[NH+]2CCC(O)(c3ccccc3F)CC2)c1 ZINC001141659186 1026135997 /nfs/dbraw/zinc/13/59/97/1026135997.db2.gz DFCQIQVOPABHQE-UHFFFAOYSA-N 1 2 389.268 3.943 20 30 GHEDLO N#Cc1ccc(Br)c(CN2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC001141659198 1026136255 /nfs/dbraw/zinc/13/62/55/1026136255.db2.gz DTPLGIWJIOJPCT-UHFFFAOYSA-N 1 2 388.284 3.778 20 30 GHEDLO C[N@H+](Cc1ccc(Oc2ccc(C#N)cc2)nc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001139427531 1026298640 /nfs/dbraw/zinc/29/86/40/1026298640.db2.gz JQPDXSXZBDRQRM-UHFFFAOYSA-N 1 2 394.475 3.797 20 30 GHEDLO C[N@@H+](Cc1ccc(Oc2ccc(C#N)cc2)nc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001139427531 1026298654 /nfs/dbraw/zinc/29/86/54/1026298654.db2.gz JQPDXSXZBDRQRM-UHFFFAOYSA-N 1 2 394.475 3.797 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCO[C@]3(CCC[C@H]3COCc3ccccn3)C2)cc1F ZINC001139528841 1026388544 /nfs/dbraw/zinc/38/85/44/1026388544.db2.gz ZMWBMHWVMDVLDN-NZQKXSOJSA-N 1 2 395.478 3.680 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCO[C@]3(CCC[C@H]3COCc3ccccn3)C2)cc1F ZINC001139528841 1026388559 /nfs/dbraw/zinc/38/85/59/1026388559.db2.gz ZMWBMHWVMDVLDN-NZQKXSOJSA-N 1 2 395.478 3.680 20 30 GHEDLO CCN1CCn2c(C)cnc2C12CC[NH+](Cc1cccc(Cl)c1C#N)CC2 ZINC001139688519 1026540036 /nfs/dbraw/zinc/54/00/36/1026540036.db2.gz OFAHQCRHIRJDMP-UHFFFAOYSA-N 1 2 383.927 3.543 20 30 GHEDLO Cc1nc(NCc2cccc(C(=O)NC(C)(C)c3cccc(C#N)c3)c2)cc[nH+]1 ZINC001166446696 1027004033 /nfs/dbraw/zinc/00/40/33/1027004033.db2.gz ZQUIZAVPXQVVFB-UHFFFAOYSA-N 1 2 385.471 3.934 20 30 GHEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(Cl)cc1C(F)(F)F ZINC001276409867 1027307482 /nfs/dbraw/zinc/30/74/82/1027307482.db2.gz UKQSHFAFFJQVOQ-GOSISDBHSA-N 1 2 384.829 3.949 20 30 GHEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(Cl)cc1C(F)(F)F ZINC001276409867 1027307502 /nfs/dbraw/zinc/30/75/02/1027307502.db2.gz UKQSHFAFFJQVOQ-GOSISDBHSA-N 1 2 384.829 3.949 20 30 GHEDLO Cc1[nH+]cc(Nc2cc(Cl)c(C#N)cc2I)cc1N ZINC001210289631 1027428427 /nfs/dbraw/zinc/42/84/27/1027428427.db2.gz VTRWPYMFVNFEME-UHFFFAOYSA-N 1 2 384.608 3.846 20 30 GHEDLO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(F)(F)F)C[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001203905268 1027698257 /nfs/dbraw/zinc/69/82/57/1027698257.db2.gz CZQIVGRPRISPOZ-CVEARBPZSA-N 1 2 383.414 3.836 20 30 GHEDLO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(F)(F)F)C[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001203905268 1027698263 /nfs/dbraw/zinc/69/82/63/1027698263.db2.gz CZQIVGRPRISPOZ-CVEARBPZSA-N 1 2 383.414 3.836 20 30 GHEDLO C=CCCc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)cc1 ZINC001210996616 1027744214 /nfs/dbraw/zinc/74/42/14/1027744214.db2.gz SOUFKHQZQNAHRE-SFTDATJTSA-N 1 2 388.508 3.668 20 30 GHEDLO C=CCCc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)cc1 ZINC001210996616 1027744229 /nfs/dbraw/zinc/74/42/29/1027744229.db2.gz SOUFKHQZQNAHRE-SFTDATJTSA-N 1 2 388.508 3.668 20 30 GHEDLO N#Cc1cccc(Cl)c1C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCC(F)(F)F ZINC001276437307 1027836377 /nfs/dbraw/zinc/83/63/77/1027836377.db2.gz OOYJIUPRVUOQEF-HZPDHXFCSA-N 1 2 385.817 3.729 20 30 GHEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCC(F)(F)F ZINC001276437307 1027836396 /nfs/dbraw/zinc/83/63/96/1027836396.db2.gz OOYJIUPRVUOQEF-HZPDHXFCSA-N 1 2 385.817 3.729 20 30 GHEDLO C=CCC(F)(F)C(=O)N(CCCn1cc[nH+]c1)c1ccc(Br)cn1 ZINC000841349099 1028468398 /nfs/dbraw/zinc/46/83/98/1028468398.db2.gz SGCZDWVPVNKDAA-UHFFFAOYSA-N 1 2 399.239 3.675 20 30 GHEDLO COc1cc(C#N)c(F)cc1NC(=O)/C=C/c1ccc(Cn2cc[nH+]c2)cc1 ZINC001142370344 1028771968 /nfs/dbraw/zinc/77/19/68/1028771968.db2.gz WIQJQQXANJTFKC-VOTSOKGWSA-N 1 2 376.391 3.603 20 30 GHEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3c(F)ccc(C#N)c3F)CC[C@@H]2C1 ZINC001143166031 1029877967 /nfs/dbraw/zinc/87/79/67/1029877967.db2.gz BSNQHBRHRDQJGC-CABCVRRESA-N 1 2 377.435 3.525 20 30 GHEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3c(F)ccc(C#N)c3F)CC[C@@H]2C1 ZINC001143166031 1029877972 /nfs/dbraw/zinc/87/79/72/1029877972.db2.gz BSNQHBRHRDQJGC-CABCVRRESA-N 1 2 377.435 3.525 20 30 GHEDLO CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(F)ccc(C#N)c1F ZINC001143173302 1029882655 /nfs/dbraw/zinc/88/26/55/1029882655.db2.gz WGTNWGCKPRAUDW-QDMKHBRRSA-N 1 2 377.435 3.857 20 30 GHEDLO CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(F)ccc(C#N)c1F ZINC001143173302 1029882661 /nfs/dbraw/zinc/88/26/61/1029882661.db2.gz WGTNWGCKPRAUDW-QDMKHBRRSA-N 1 2 377.435 3.857 20 30 GHEDLO N#Cc1cc(F)cc(C2(C(=O)N3CC[NH2+][C@@H](c4ccc(Cl)cc4)C3)CC2)c1 ZINC001149537182 1030216130 /nfs/dbraw/zinc/21/61/30/1030216130.db2.gz WWNDUHDNVAVVMA-LJQANCHMSA-N 1 2 383.854 3.555 20 30 GHEDLO N#Cc1ccc(OC2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)cc1Cl ZINC001151970941 1031064534 /nfs/dbraw/zinc/06/45/34/1031064534.db2.gz XQNDFXPPFLILHS-UHFFFAOYSA-N 1 2 380.835 3.772 20 30 GHEDLO CCC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001229179946 1033324167 /nfs/dbraw/zinc/32/41/67/1033324167.db2.gz SAAXWMYLBPIVIO-SFHVURJKSA-N 1 2 379.416 3.712 20 30 GHEDLO CCC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001229179946 1033324186 /nfs/dbraw/zinc/32/41/86/1033324186.db2.gz SAAXWMYLBPIVIO-SFHVURJKSA-N 1 2 379.416 3.712 20 30 GHEDLO C[C@H]1CCCN(c2cc(N3CCC(C#N)(c4ccccc4F)CC3)[nH+]cn2)C1 ZINC001158892089 1034322358 /nfs/dbraw/zinc/32/23/58/1034322358.db2.gz LOTKBALJODLEDW-KRWDZBQOSA-N 1 2 379.483 3.914 20 30 GHEDLO C[C@H]1CCCN(c2cc(N3CCC(C#N)(c4ccccc4F)CC3)nc[nH+]2)C1 ZINC001158892089 1034322365 /nfs/dbraw/zinc/32/23/65/1034322365.db2.gz LOTKBALJODLEDW-KRWDZBQOSA-N 1 2 379.483 3.914 20 30 GHEDLO CC#CC[N@@H+](C)Cc1cc(I)c(Br)cc1F ZINC001207716070 1034540486 /nfs/dbraw/zinc/54/04/86/1034540486.db2.gz SVGPATZWNPMILO-UHFFFAOYSA-N 1 2 396.041 3.648 20 30 GHEDLO CC#CC[N@H+](C)Cc1cc(I)c(Br)cc1F ZINC001207716070 1034540478 /nfs/dbraw/zinc/54/04/78/1034540478.db2.gz SVGPATZWNPMILO-UHFFFAOYSA-N 1 2 396.041 3.648 20 30 GHEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(Cl)cc(Br)c1 ZINC001276570156 1034950142 /nfs/dbraw/zinc/95/01/42/1034950142.db2.gz ZKQHGBFHVNSKDB-SFHVURJKSA-N 1 2 395.728 3.693 20 30 GHEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Cl)cc(Br)c1 ZINC001276570156 1034950148 /nfs/dbraw/zinc/95/01/48/1034950148.db2.gz ZKQHGBFHVNSKDB-SFHVURJKSA-N 1 2 395.728 3.693 20 30 GHEDLO C=CCN(CC[NH+]1CC(c2ncn3cc(-c4ccoc4)ccc23)C1)C(=O)OCC ZINC001209022131 1035152174 /nfs/dbraw/zinc/15/21/74/1035152174.db2.gz QKMRHMXAGPNYIR-UHFFFAOYSA-N 1 2 394.475 3.638 20 30 GHEDLO CCc1cc(C#N)ccc1C[N@@H+]1CCOCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001248748900 1036106727 /nfs/dbraw/zinc/10/67/27/1036106727.db2.gz ZTWAIUMFGQTZQT-UHFFFAOYSA-N 1 2 399.535 3.723 20 30 GHEDLO CCc1cc(C#N)ccc1C[N@H+]1CCOCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001248748900 1036106733 /nfs/dbraw/zinc/10/67/33/1036106733.db2.gz ZTWAIUMFGQTZQT-UHFFFAOYSA-N 1 2 399.535 3.723 20 30 GHEDLO N#Cc1ccc2cc(-c3ccc(OCC[NH+]4CCOCC4)cc3F)ccc2n1 ZINC001244138921 1036394252 /nfs/dbraw/zinc/39/42/52/1036394252.db2.gz XCCZGOWFKGHYNM-UHFFFAOYSA-N 1 2 377.419 3.624 20 30 GHEDLO CCCCCCCCNC(=S)N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C ZINC001247148066 1037946799 /nfs/dbraw/zinc/94/67/99/1037946799.db2.gz XXWHFYPQRXFLLY-UHFFFAOYSA-N 1 2 391.629 3.663 20 30 GHEDLO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccc(C(F)(F)F)o3)CC2)cc1 ZINC001232446385 1038227241 /nfs/dbraw/zinc/22/72/41/1038227241.db2.gz GXCOTTPFOPSQHR-UHFFFAOYSA-N 1 2 392.381 3.956 20 30 GHEDLO CCOC(=O)c1sc(-c2ccc(O)c(C[N@@H+]3CCC[C@@H](C#N)C3)c2)nc1C ZINC001232453332 1038236892 /nfs/dbraw/zinc/23/68/92/1038236892.db2.gz GTGRIOOIWCPZEX-AWEZNQCLSA-N 1 2 385.489 3.736 20 30 GHEDLO CCOC(=O)c1sc(-c2ccc(O)c(C[N@H+]3CCC[C@@H](C#N)C3)c2)nc1C ZINC001232453332 1038236895 /nfs/dbraw/zinc/23/68/95/1038236895.db2.gz GTGRIOOIWCPZEX-AWEZNQCLSA-N 1 2 385.489 3.736 20 30 GHEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2cc(Br)c(CC)s2)C1=O ZINC001277681426 1038327405 /nfs/dbraw/zinc/32/74/05/1038327405.db2.gz RRUAUSAAXQDUHM-QGZVFWFLSA-N 1 2 383.355 3.826 20 30 GHEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2cc(Br)c(CC)s2)C1=O ZINC001277681426 1038327419 /nfs/dbraw/zinc/32/74/19/1038327419.db2.gz RRUAUSAAXQDUHM-QGZVFWFLSA-N 1 2 383.355 3.826 20 30 GHEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H]2O[C@H](COCc3cccnc3)CC[C@H]21 ZINC001232607203 1038390229 /nfs/dbraw/zinc/39/02/29/1038390229.db2.gz FZUIMHNSXMPLDB-BHDDXSALSA-N 1 2 397.906 3.945 20 30 GHEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H]2O[C@H](COCc3cccnc3)CC[C@H]21 ZINC001232607203 1038390236 /nfs/dbraw/zinc/39/02/36/1038390236.db2.gz FZUIMHNSXMPLDB-BHDDXSALSA-N 1 2 397.906 3.945 20 30 GHEDLO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](Cc3ccc(Cl)cc3C#N)C[C@H]12 ZINC001232607371 1038390989 /nfs/dbraw/zinc/39/09/89/1038390989.db2.gz MQHCLFXKQKXNBG-GOTSBHOMSA-N 1 2 393.918 3.976 20 30 GHEDLO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccc(Cl)cc3C#N)C[C@H]12 ZINC001232607371 1038391001 /nfs/dbraw/zinc/39/10/01/1038391001.db2.gz MQHCLFXKQKXNBG-GOTSBHOMSA-N 1 2 393.918 3.976 20 30 GHEDLO N#Cc1cc(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc(C(F)(F)F)c1 ZINC001233656796 1039511953 /nfs/dbraw/zinc/51/19/53/1039511953.db2.gz GUTOLJMDCBWDTL-LJQANCHMSA-N 1 2 376.378 3.857 20 30 GHEDLO N#Cc1cc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc(C(F)(F)F)c1 ZINC001233656796 1039511966 /nfs/dbraw/zinc/51/19/66/1039511966.db2.gz GUTOLJMDCBWDTL-LJQANCHMSA-N 1 2 376.378 3.857 20 30 GHEDLO CC1=CC(=O)C[C@@H](c2ccc(OC[C@H]3C[N@H+](Cc4ccccc4)CCO3)cc2)O1 ZINC001234161379 1039900872 /nfs/dbraw/zinc/90/08/72/1039900872.db2.gz XKAUQQOERYAWNU-RPWUZVMVSA-N 1 2 393.483 3.901 20 30 GHEDLO CC1=CC(=O)C[C@@H](c2ccc(OC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)cc2)O1 ZINC001234161379 1039900876 /nfs/dbraw/zinc/90/08/76/1039900876.db2.gz XKAUQQOERYAWNU-RPWUZVMVSA-N 1 2 393.483 3.901 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(Br)c(C)n1 ZINC001277840529 1039930714 /nfs/dbraw/zinc/93/07/14/1039930714.db2.gz HLHCSVPSQHSWIG-IBGZPJMESA-N 1 2 392.341 3.686 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(Br)c(C)n1 ZINC001277840529 1039930717 /nfs/dbraw/zinc/93/07/17/1039930717.db2.gz HLHCSVPSQHSWIG-IBGZPJMESA-N 1 2 392.341 3.686 20 30 GHEDLO CCOC(=O)[C@@H]1CSCC[N@@H+]1C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254359679 1040191001 /nfs/dbraw/zinc/19/10/01/1040191001.db2.gz NNPMJVRNNQNMCI-FDYSRKEFSA-N 1 2 376.497 3.510 20 30 GHEDLO CCOC(=O)[C@@H]1CSCC[N@H+]1C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254359679 1040191006 /nfs/dbraw/zinc/19/10/06/1040191006.db2.gz NNPMJVRNNQNMCI-FDYSRKEFSA-N 1 2 376.497 3.510 20 30 GHEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3nc(Cl)ccc3C(F)(F)F)CC2)nc1 ZINC001235238692 1040720132 /nfs/dbraw/zinc/72/01/32/1040720132.db2.gz SMKGVJLPGJVISK-UHFFFAOYSA-N 1 2 395.816 3.733 20 30 GHEDLO N#Cc1ccc(N2CCC[N@H+](Cc3nc(Cl)ccc3C(F)(F)F)CC2)nc1 ZINC001235238692 1040720142 /nfs/dbraw/zinc/72/01/42/1040720142.db2.gz SMKGVJLPGJVISK-UHFFFAOYSA-N 1 2 395.816 3.733 20 30 GHEDLO CCn1ncc2c1C[N@H+](Cc1ccccc1CC#N)C[C@H]2COc1cccnc1 ZINC001235515066 1040970523 /nfs/dbraw/zinc/97/05/23/1040970523.db2.gz NZCCYNNHIPQHOZ-FQEVSTJZSA-N 1 2 387.487 3.542 20 30 GHEDLO CCn1ncc2c1C[N@@H+](Cc1ccccc1CC#N)C[C@H]2COc1cccnc1 ZINC001235515066 1040970525 /nfs/dbraw/zinc/97/05/25/1040970525.db2.gz NZCCYNNHIPQHOZ-FQEVSTJZSA-N 1 2 387.487 3.542 20 30 GHEDLO N#Cc1cc(F)c(C[NH+]2CCC3(CCCN3C(=O)c3ccco3)CC2)c(F)c1 ZINC001235655032 1041101814 /nfs/dbraw/zinc/10/18/14/1041101814.db2.gz UKDNCTFHISFSKJ-UHFFFAOYSA-N 1 2 385.414 3.700 20 30 GHEDLO Cc1cc(Cl)nc(Cl)c1C[N@@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001236607358 1041778010 /nfs/dbraw/zinc/77/80/10/1041778010.db2.gz JRALKBHASZOJDN-UHFFFAOYSA-N 1 2 376.291 3.676 20 30 GHEDLO Cc1cc(Cl)nc(Cl)c1C[N@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001236607358 1041778018 /nfs/dbraw/zinc/77/80/18/1041778018.db2.gz JRALKBHASZOJDN-UHFFFAOYSA-N 1 2 376.291 3.676 20 30 GHEDLO C[C@@](O)(C1CC[NH+](Cc2ccc(C#N)c(Br)c2)CC1)C(F)(F)F ZINC001236860399 1041931730 /nfs/dbraw/zinc/93/17/30/1041931730.db2.gz HLSUTHQPCCDKCO-OAHLLOKOSA-N 1 2 391.231 3.846 20 30 GHEDLO Nc1ccc(C(=O)N2CC[NH+](Cc3ccccc3C#Cc3ccccc3)CC2)cc1 ZINC001237010182 1041989180 /nfs/dbraw/zinc/98/91/80/1041989180.db2.gz NWHXKZIWPOLBNR-UHFFFAOYSA-N 1 2 395.506 3.627 20 30 GHEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1CS(=O)(=O)c1ccccc1 ZINC001237233855 1042099646 /nfs/dbraw/zinc/09/96/46/1042099646.db2.gz JOJAQCCXAITVRI-ZNDPDKIASA-N 1 2 380.513 3.927 20 30 GHEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1CS(=O)(=O)c1ccccc1 ZINC001237233855 1042099648 /nfs/dbraw/zinc/09/96/48/1042099648.db2.gz JOJAQCCXAITVRI-ZNDPDKIASA-N 1 2 380.513 3.927 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1ccccc1NC(C)=O)CC2 ZINC001237406634 1042194869 /nfs/dbraw/zinc/19/48/69/1042194869.db2.gz NXHXLSUQMJIICM-UHFFFAOYSA-N 1 2 394.519 3.512 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1ccccc1NC(C)=O)CC2 ZINC001237406634 1042194877 /nfs/dbraw/zinc/19/48/77/1042194877.db2.gz NXHXLSUQMJIICM-UHFFFAOYSA-N 1 2 394.519 3.512 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccnc(C#N)c2)[C@H](Cc2ccccc2)C1 ZINC001237469612 1042220330 /nfs/dbraw/zinc/22/03/30/1042220330.db2.gz AWACAQXIWRDDMH-OAQYLSRUSA-N 1 2 392.503 3.617 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2ccnc(C#N)c2)[C@H](Cc2ccccc2)C1 ZINC001237469612 1042220331 /nfs/dbraw/zinc/22/03/31/1042220331.db2.gz AWACAQXIWRDDMH-OAQYLSRUSA-N 1 2 392.503 3.617 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[N@H+](Cc1cc(C#N)c(F)cc1F)C2 ZINC001237523560 1042249812 /nfs/dbraw/zinc/24/98/12/1042249812.db2.gz APPUMFFDSATAPV-FOIQADDNSA-N 1 2 377.435 3.716 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[N@@H+](Cc1cc(C#N)c(F)cc1F)C2 ZINC001237523560 1042249816 /nfs/dbraw/zinc/24/98/16/1042249816.db2.gz APPUMFFDSATAPV-FOIQADDNSA-N 1 2 377.435 3.716 20 30 GHEDLO N#Cc1cc(C[N@@H+]2CCC[C@@]3(C[C@H](OCc4ccncc4)CO3)C2)c(F)cc1F ZINC001237526294 1042251471 /nfs/dbraw/zinc/25/14/71/1042251471.db2.gz DJCDCWBAWMQXNV-SIKLNZKXSA-N 1 2 399.441 3.572 20 30 GHEDLO N#Cc1cc(C[N@H+]2CCC[C@@]3(C[C@H](OCc4ccncc4)CO3)C2)c(F)cc1F ZINC001237526294 1042251473 /nfs/dbraw/zinc/25/14/73/1042251473.db2.gz DJCDCWBAWMQXNV-SIKLNZKXSA-N 1 2 399.441 3.572 20 30 GHEDLO N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](N3Cc4c(cccc4F)C3=O)C2)c1 ZINC001237755461 1042355571 /nfs/dbraw/zinc/35/55/71/1042355571.db2.gz OOQGRVJADFTKAF-QGZVFWFLSA-N 1 2 383.854 3.971 20 30 GHEDLO N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](N3Cc4c(cccc4F)C3=O)C2)c1 ZINC001237755461 1042355578 /nfs/dbraw/zinc/35/55/78/1042355578.db2.gz OOQGRVJADFTKAF-QGZVFWFLSA-N 1 2 383.854 3.971 20 30 GHEDLO N#Cc1ccccc1NC(=S)Nc1ccc(O[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC001239352368 1042812305 /nfs/dbraw/zinc/81/23/05/1042812305.db2.gz RRNGOFADYPUODJ-KRWDZBQOSA-N 1 2 388.443 3.743 20 30 GHEDLO COC(=O)[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1CCC(OCc2ccccc2)CC1 ZINC001257828444 1044207004 /nfs/dbraw/zinc/20/70/04/1044207004.db2.gz CUQCMTRKHBUBGZ-XPPIMPSXSA-N 1 2 392.499 3.760 20 30 GHEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+]C1CCN(c2cccc(F)c2)CC1 ZINC001258412456 1044547268 /nfs/dbraw/zinc/54/72/68/1044547268.db2.gz LIIOVNOJLYEKKC-QFIPXVFZSA-N 1 2 382.479 3.725 20 30 GHEDLO C=CCOc1cccnc1C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC001297051914 1045436046 /nfs/dbraw/zinc/43/60/46/1045436046.db2.gz XCCAHLHNWWZZHY-INIZCTEOSA-N 1 2 380.492 3.705 20 30 GHEDLO C=CCOc1cccnc1C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC001297051914 1045436048 /nfs/dbraw/zinc/43/60/48/1045436048.db2.gz XCCAHLHNWWZZHY-INIZCTEOSA-N 1 2 380.492 3.705 20 30 GHEDLO CC(C)[C@H](C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001298261473 1045756586 /nfs/dbraw/zinc/75/65/86/1045756586.db2.gz RWGBVRFFOWMBOX-GQIGUUNPSA-N 1 2 387.524 3.808 20 30 GHEDLO CC(C)[C@H](C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001298261473 1045756606 /nfs/dbraw/zinc/75/66/06/1045756606.db2.gz RWGBVRFFOWMBOX-GQIGUUNPSA-N 1 2 387.524 3.808 20 30 GHEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC001262873879 1046394019 /nfs/dbraw/zinc/39/40/19/1046394019.db2.gz XDAWLNJBARUJJL-LJQANCHMSA-N 1 2 398.942 3.903 20 30 GHEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@H]1c1ccc(Cl)cc1 ZINC001262873878 1046394459 /nfs/dbraw/zinc/39/44/59/1046394459.db2.gz XDAWLNJBARUJJL-IBGZPJMESA-N 1 2 398.942 3.903 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N(C)C[C@H](C)c1nccs1 ZINC001262981037 1046466171 /nfs/dbraw/zinc/46/61/71/1046466171.db2.gz XWTAGPJPXRIUGR-DLBZAZTESA-N 1 2 399.568 3.993 20 30 GHEDLO CC(C)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001302561164 1046977470 /nfs/dbraw/zinc/97/74/70/1046977470.db2.gz FVSCEEDMLRMKKD-GOSISDBHSA-N 1 2 395.555 3.964 20 30 GHEDLO Cc1cc(Cl)c(CN2CC3(C2)C[NH+](Cc2cc(C#N)n(C)c2)C3)c(Cl)c1 ZINC001279340565 1047773036 /nfs/dbraw/zinc/77/30/36/1047773036.db2.gz PYXLFXOAGSIQJF-UHFFFAOYSA-N 1 2 389.330 3.830 20 30 GHEDLO C#CCN(C)c1nnc(C2CCCC2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001286371890 1048296367 /nfs/dbraw/zinc/29/63/67/1048296367.db2.gz HIXUWSXUGOOXJX-UHFFFAOYSA-N 1 2 392.551 3.829 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2CCCCC=C)CC1 ZINC001286475921 1048337041 /nfs/dbraw/zinc/33/70/41/1048337041.db2.gz LGTUNRRPSVDSRC-UHFFFAOYSA-N 1 2 383.927 3.710 20 30 GHEDLO C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001286757118 1048510637 /nfs/dbraw/zinc/51/06/37/1048510637.db2.gz GKZSIDWYIZRANS-MOPGFXCFSA-N 1 2 396.539 3.781 20 30 GHEDLO CC#CC[N@H+](C)[C@H](C)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC001307807473 1049606292 /nfs/dbraw/zinc/60/62/92/1049606292.db2.gz RBOOOAUYXRTORE-BEFAXECRSA-N 1 2 383.879 3.954 20 30 GHEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC001307807473 1049606301 /nfs/dbraw/zinc/60/63/01/1049606301.db2.gz RBOOOAUYXRTORE-BEFAXECRSA-N 1 2 383.879 3.954 20 30 GHEDLO CC(C)(C)OC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001307900439 1049678488 /nfs/dbraw/zinc/67/84/88/1049678488.db2.gz HNQIEESVVSPSDV-INIZCTEOSA-N 1 2 391.899 3.736 20 30 GHEDLO CC(C)(C)OC(=O)C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001307900439 1049678494 /nfs/dbraw/zinc/67/84/94/1049678494.db2.gz HNQIEESVVSPSDV-INIZCTEOSA-N 1 2 391.899 3.736 20 30 GHEDLO C=C[C@](C)(O)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC001290264861 1049784163 /nfs/dbraw/zinc/78/41/63/1049784163.db2.gz HLBJTCJSHQMQDG-FQEVSTJZSA-N 1 2 390.936 3.650 20 30 GHEDLO Cc1[nH]c([C@@H]2CCCN2CC(=O)N(CCC#N)c2cccc(C)c2C)[nH+]c1C ZINC001308071441 1049817999 /nfs/dbraw/zinc/81/79/99/1049817999.db2.gz UBFCQWKSFBJKIU-FQEVSTJZSA-N 1 2 379.508 3.727 20 30 GHEDLO Cc1ccc(C#N)cc1C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001290370382 1049818364 /nfs/dbraw/zinc/81/83/64/1049818364.db2.gz UADOUEWHPVENHU-UHFFFAOYSA-N 1 2 387.405 3.844 20 30 GHEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2C[C@@H](C)OCC[C@H]2C)c1C#N ZINC001308167171 1049896832 /nfs/dbraw/zinc/89/68/32/1049896832.db2.gz OAEKDSYEETVNNG-HUUCEWRRSA-N 1 2 398.482 3.543 20 30 GHEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2C[C@@H](C)OCC[C@H]2C)c1C#N ZINC001308167171 1049896837 /nfs/dbraw/zinc/89/68/37/1049896837.db2.gz OAEKDSYEETVNNG-HUUCEWRRSA-N 1 2 398.482 3.543 20 30 GHEDLO CC(C)(C)OC(=O)N1Cc2ccccc2OC2(CC[NH+](CC3(C#N)CC3)CC2)C1 ZINC001308178379 1049902789 /nfs/dbraw/zinc/90/27/89/1049902789.db2.gz WSLMKJZXBPDFOB-UHFFFAOYSA-N 1 2 397.519 3.954 20 30 GHEDLO C#Cc1ccc(C[NH2+]Cc2ncc(Br)cc2Br)cc1 ZINC001308409674 1049969860 /nfs/dbraw/zinc/96/98/60/1049969860.db2.gz DCTVHCMQHXOSCA-UHFFFAOYSA-N 1 2 380.083 3.878 20 30 GHEDLO N#Cc1ccc(C[NH2+]Cc2ccn(-c3ccc(Br)cc3)n2)c(F)c1 ZINC001308520075 1049997509 /nfs/dbraw/zinc/99/75/09/1049997509.db2.gz RUOXUDNIIAECSJ-UHFFFAOYSA-N 1 2 385.240 3.935 20 30 GHEDLO N#Cc1ccc(C[NH2+]Cc2ccn(-c3ccc(Br)cc3)n2)cc1F ZINC001308938654 1050197935 /nfs/dbraw/zinc/19/79/35/1050197935.db2.gz OYIWDHPQDBIQSD-UHFFFAOYSA-N 1 2 385.240 3.935 20 30 GHEDLO Cc1cccc(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC=CCC2)[nH+]1 ZINC001492525898 1052071634 /nfs/dbraw/zinc/07/16/34/1052071634.db2.gz ZECYSNPYKHERPS-UHFFFAOYSA-N 1 2 384.487 3.919 20 30 GHEDLO C=CCO[C@@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2N)C1 ZINC001342658771 1053285883 /nfs/dbraw/zinc/28/58/83/1053285883.db2.gz YQWANYSVKNMCCR-GFCCVEGCSA-N 1 2 390.119 3.571 20 30 GHEDLO C=CCO[C@@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2N)C1 ZINC001342658771 1053285886 /nfs/dbraw/zinc/28/58/86/1053285886.db2.gz YQWANYSVKNMCCR-GFCCVEGCSA-N 1 2 390.119 3.571 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCCO[C@@H](c2ccccc2)C1 ZINC001342674756 1053293146 /nfs/dbraw/zinc/29/31/46/1053293146.db2.gz REDZFNXNPDGYBR-VQTJNVASSA-N 1 2 381.524 3.589 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCCO[C@@H](c2ccccc2)C1 ZINC001342674756 1053293157 /nfs/dbraw/zinc/29/31/57/1053293157.db2.gz REDZFNXNPDGYBR-VQTJNVASSA-N 1 2 381.524 3.589 20 30 GHEDLO CC(C)Cn1c([C@@H]2C[C@@H]2C#N)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001342888591 1053412757 /nfs/dbraw/zinc/41/27/57/1053412757.db2.gz DOONXSDFYQAPMY-IEBWSBKVSA-N 1 2 398.942 3.537 20 30 GHEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCC([C@@H]2CCCCO2)CC1 ZINC001342978076 1053473673 /nfs/dbraw/zinc/47/36/73/1053473673.db2.gz IARYLGAXPAEQDM-FQEVSTJZSA-N 1 2 387.572 3.626 20 30 GHEDLO C=C(C)Cn1c(CCCC#N)nnc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC001343540976 1053855634 /nfs/dbraw/zinc/85/56/34/1053855634.db2.gz WAPOZVMPHIYFNB-UHFFFAOYSA-N 1 2 398.942 3.676 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1C[C@H](OC)CC[C@@H]1C ZINC001343577709 1053901665 /nfs/dbraw/zinc/90/16/65/1053901665.db2.gz RNSLFORSTKGCFH-IPMKNSEASA-N 1 2 386.544 3.690 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 ZINC001343578148 1053902596 /nfs/dbraw/zinc/90/25/96/1053902596.db2.gz UHWBFQVZVNKYGY-RLLQIKCJSA-N 1 2 398.555 3.690 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccn(C4CCCCC4)n3)CC2)cc1 ZINC001322080159 1056509333 /nfs/dbraw/zinc/50/93/33/1056509333.db2.gz MWLJOIKGJUGGQW-UHFFFAOYSA-N 1 2 392.507 3.610 20 30 GHEDLO C#CCN(CC)c1nnc([C@H](C)CC)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001300597505 1056596099 /nfs/dbraw/zinc/59/60/99/1056596099.db2.gz KLNFNFIYFCQUMI-GOSISDBHSA-N 1 2 376.508 3.544 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2[C@H]2C[C@H](c3ccccc3F)C2)CC1 ZINC001300683112 1056861983 /nfs/dbraw/zinc/86/19/83/1056861983.db2.gz LNDYIAZQZSNDGB-FHWLQOOXSA-N 1 2 395.526 3.805 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(CC)cc3)n2CCCCC=C)CC1 ZINC001300690263 1056883784 /nfs/dbraw/zinc/88/37/84/1056883784.db2.gz FQASEKHWAKGPGE-UHFFFAOYSA-N 1 2 377.536 3.619 20 30 GHEDLO C#C[C@]1(C)CCCN1c1nnc([C@H](C)CC)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001300779687 1057016000 /nfs/dbraw/zinc/01/60/00/1057016000.db2.gz DICRBEDASVSUMK-TVTNDZMWSA-N 1 2 380.540 3.866 20 30 GHEDLO CN(c1nnc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)n1C)[C@@H]1CCC[C@H]1C#N ZINC001355554768 1057211512 /nfs/dbraw/zinc/21/15/12/1057211512.db2.gz XEJDDXBLKJVNIX-ZCNNSNEGSA-N 1 2 378.524 3.671 20 30 GHEDLO CN(c1nnc([C@@H]2CCCC[N@H+]2Cc2ccccc2)n1C)[C@@H]1CCC[C@H]1C#N ZINC001355554768 1057211517 /nfs/dbraw/zinc/21/15/17/1057211517.db2.gz XEJDDXBLKJVNIX-ZCNNSNEGSA-N 1 2 378.524 3.671 20 30 GHEDLO C=CCn1c(C2CCSCC2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001338620682 1058687966 /nfs/dbraw/zinc/68/79/66/1058687966.db2.gz AYQXKKJFKGJAPI-UHFFFAOYSA-N 1 2 384.553 3.551 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC=C(c2ccc(O)cc2)CC1 ZINC001338895491 1058862715 /nfs/dbraw/zinc/86/27/15/1058862715.db2.gz JAJMPNTWNUEGLE-HXUWFJFHSA-N 1 2 379.508 3.620 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC=C(c2ccc(O)cc2)CC1 ZINC001338895491 1058862736 /nfs/dbraw/zinc/86/27/36/1058862736.db2.gz JAJMPNTWNUEGLE-HXUWFJFHSA-N 1 2 379.508 3.620 20 30 GHEDLO CCN(C(=O)[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC001442216254 1058933441 /nfs/dbraw/zinc/93/34/41/1058933441.db2.gz QAEUEZSHUOVQCR-VGOFRKELSA-N 1 2 377.488 3.751 20 30 GHEDLO CCN(C(=O)[C@H]1CC[N@H+]1Cc1ccc(OC)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC001442216254 1058933448 /nfs/dbraw/zinc/93/34/48/1058933448.db2.gz QAEUEZSHUOVQCR-VGOFRKELSA-N 1 2 377.488 3.751 20 30 GHEDLO C=C[C@@H](C(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC001443096070 1059062883 /nfs/dbraw/zinc/06/28/83/1059062883.db2.gz ZHLUUSNBZGCFSN-NZQKXSOJSA-N 1 2 378.516 3.706 20 30 GHEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC(CC#N)CC1 ZINC001340619262 1059998036 /nfs/dbraw/zinc/99/80/36/1059998036.db2.gz YEEFVNQCWVGUCB-GOSISDBHSA-N 1 2 378.524 3.787 20 30 GHEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC(CC#N)CC1 ZINC001340619262 1059998039 /nfs/dbraw/zinc/99/80/39/1059998039.db2.gz YEEFVNQCWVGUCB-GOSISDBHSA-N 1 2 378.524 3.787 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)[C@H]1CCc2ccccc21 ZINC001340911062 1060242422 /nfs/dbraw/zinc/24/24/22/1060242422.db2.gz OWHMQMCRBMLHFZ-FQEVSTJZSA-N 1 2 378.524 3.515 20 30 GHEDLO C=CCn1c([C@@H]2CCC[N@@H+]2Cc2ccccc2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001342225770 1061154086 /nfs/dbraw/zinc/15/40/86/1061154086.db2.gz KZLJXZMINZODFB-NZQKXSOJSA-N 1 2 390.535 3.931 20 30 GHEDLO C=CCn1c([C@@H]2CCC[N@H+]2Cc2ccccc2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001342225770 1061154089 /nfs/dbraw/zinc/15/40/89/1061154089.db2.gz KZLJXZMINZODFB-NZQKXSOJSA-N 1 2 390.535 3.931 20 30 GHEDLO C=CCn1c([C@H]2CCC[N@@H+]2Cc2ccccc2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001342225773 1061154164 /nfs/dbraw/zinc/15/41/64/1061154164.db2.gz KZLJXZMINZODFB-OFNKIYASSA-N 1 2 390.535 3.931 20 30 GHEDLO C=CCn1c([C@H]2CCC[N@H+]2Cc2ccccc2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001342225773 1061154170 /nfs/dbraw/zinc/15/41/70/1061154170.db2.gz KZLJXZMINZODFB-OFNKIYASSA-N 1 2 390.535 3.931 20 30 GHEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCc2sccc2C1 ZINC001346188298 1061436817 /nfs/dbraw/zinc/43/68/17/1061436817.db2.gz XCVBKHDBJNHPID-UHFFFAOYSA-N 1 2 396.564 3.571 20 30 GHEDLO N#Cc1cccc(OCCCCC(=O)NCCn2c[nH+]cc2-c2ccccc2)c1 ZINC001454322616 1061718563 /nfs/dbraw/zinc/71/85/63/1061718563.db2.gz QRYSNUXRPRYSTK-UHFFFAOYSA-N 1 2 388.471 3.787 20 30 GHEDLO C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC001546063150 1061847188 /nfs/dbraw/zinc/84/71/88/1061847188.db2.gz HLLLYKNKHBVRHL-MRXNPFEDSA-N 1 2 376.501 3.644 20 30 GHEDLO CC(C)C1CCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CC2CC2)CC1 ZINC001346861944 1061944235 /nfs/dbraw/zinc/94/42/35/1061944235.db2.gz VSIIKGAWORHOQZ-UHFFFAOYSA-N 1 2 384.572 3.654 20 30 GHEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)C1 ZINC001455707675 1062270794 /nfs/dbraw/zinc/27/07/94/1062270794.db2.gz XLPLQBQIOPOISR-KRWDZBQOSA-N 1 2 391.496 3.898 20 30 GHEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)C1 ZINC001455707675 1062270806 /nfs/dbraw/zinc/27/08/06/1062270806.db2.gz XLPLQBQIOPOISR-KRWDZBQOSA-N 1 2 391.496 3.898 20 30 GHEDLO N#C[C@H](NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Br)cc1 ZINC001464019104 1064771436 /nfs/dbraw/zinc/77/14/36/1064771436.db2.gz ZPYRGRZUXDXWBP-SFHVURJKSA-N 1 2 395.260 3.558 20 30 GHEDLO C#CC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@H]1CCCc2ccccc21 ZINC001473826570 1067576717 /nfs/dbraw/zinc/57/67/17/1067576717.db2.gz SIGYJLLOQDDFLM-IBGZPJMESA-N 1 2 377.444 3.855 20 30 GHEDLO C#CC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@H]1CCCc2ccccc21 ZINC001473826570 1067576720 /nfs/dbraw/zinc/57/67/20/1067576720.db2.gz SIGYJLLOQDDFLM-IBGZPJMESA-N 1 2 377.444 3.855 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2C[C@H](C)Sc2ccccc2)CC1 ZINC001359029065 1067658481 /nfs/dbraw/zinc/65/84/81/1067658481.db2.gz NYFKEORZYSIEFV-MOPGFXCFSA-N 1 2 397.592 3.728 20 30 GHEDLO C=C(C)CN(CC)c1nnc(CC)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001359114421 1067692844 /nfs/dbraw/zinc/69/28/44/1067692844.db2.gz KXGBKCIJNBZGMU-NRFANRHFSA-N 1 2 397.567 3.625 20 30 GHEDLO C#CC[C@@H]1CCCN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC001468759125 1067864190 /nfs/dbraw/zinc/86/41/90/1067864190.db2.gz NAFRMPGDFZRLLT-APWZRJJASA-N 1 2 391.918 3.888 20 30 GHEDLO C#CC[C@@H]1CCCN(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC001468759125 1067864192 /nfs/dbraw/zinc/86/41/92/1067864192.db2.gz NAFRMPGDFZRLLT-APWZRJJASA-N 1 2 391.918 3.888 20 30 GHEDLO N#C[C@H](c1ccccc1)N1CC[NH+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000769914613 1068405177 /nfs/dbraw/zinc/40/51/77/1068405177.db2.gz USJRBZBOKILCEC-RBBKRZOGSA-N 1 2 394.906 3.715 20 30 GHEDLO C#CC[N@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1)C(C)C ZINC001460823227 1069202908 /nfs/dbraw/zinc/20/29/08/1069202908.db2.gz AWVVFDFJDKRDKZ-UHFFFAOYSA-N 1 2 383.879 3.874 20 30 GHEDLO C#CC[N@@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1)C(C)C ZINC001460823227 1069202911 /nfs/dbraw/zinc/20/29/11/1069202911.db2.gz AWVVFDFJDKRDKZ-UHFFFAOYSA-N 1 2 383.879 3.874 20 30 GHEDLO C=CC[N@H+](CC(=O)Nc1nc(C)c(Cc2ccc(C)cc2)s1)[C@@H](C)COC ZINC001473638019 1074062032 /nfs/dbraw/zinc/06/20/32/1074062032.db2.gz XWAZRDMXZARTQY-INIZCTEOSA-N 1 2 387.549 3.812 20 30 GHEDLO C=CC[N@@H+](CC(=O)Nc1nc(C)c(Cc2ccc(C)cc2)s1)[C@@H](C)COC ZINC001473638019 1074062035 /nfs/dbraw/zinc/06/20/35/1074062035.db2.gz XWAZRDMXZARTQY-INIZCTEOSA-N 1 2 387.549 3.812 20 30 GHEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)Cc1ccccc1OCc1ccccc1 ZINC001473712413 1074101889 /nfs/dbraw/zinc/10/18/89/1074101889.db2.gz BHPAVOJKASWYGF-IBGZPJMESA-N 1 2 379.504 3.706 20 30 GHEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)Cc1ccccc1OCc1ccccc1 ZINC001473712413 1074101892 /nfs/dbraw/zinc/10/18/92/1074101892.db2.gz BHPAVOJKASWYGF-IBGZPJMESA-N 1 2 379.504 3.706 20 30 GHEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCCSC[C@@H]2c2ccccc2)cc1 ZINC001473759617 1074127986 /nfs/dbraw/zinc/12/79/86/1074127986.db2.gz KVSDXHBCGQKATF-HXUWFJFHSA-N 1 2 386.542 3.512 20 30 GHEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCCSC[C@@H]2c2ccccc2)cc1 ZINC001473759617 1074127989 /nfs/dbraw/zinc/12/79/89/1074127989.db2.gz KVSDXHBCGQKATF-HXUWFJFHSA-N 1 2 386.542 3.512 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)cs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181098720 837830831 /nfs/dbraw/zinc/83/08/31/837830831.db2.gz OJPFVGZAICIIQB-RDJZCZTQSA-N 1 2 377.872 3.978 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)c2cc(C#N)cs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181098720 837830840 /nfs/dbraw/zinc/83/08/40/837830840.db2.gz OJPFVGZAICIIQB-RDJZCZTQSA-N 1 2 377.872 3.978 20 30 GHEDLO N#Cc1cnc(C[NH2+][C@@H](CC2CC2)c2cc(F)cc(Br)c2)nc1 ZINC000583861871 835161975 /nfs/dbraw/zinc/16/19/75/835161975.db2.gz JIZAPDCOWXNAIX-INIZCTEOSA-N 1 2 375.245 3.881 20 30 GHEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2ccc(Cl)c3cccnc23)CC1 ZINC000052638198 835167699 /nfs/dbraw/zinc/16/76/99/835167699.db2.gz YKDJKVOYCJVGMX-UHFFFAOYSA-N 1 2 393.878 3.947 20 30 GHEDLO CC(C)Oc1ccc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1C#N ZINC000157652914 835304518 /nfs/dbraw/zinc/30/45/18/835304518.db2.gz QREQHQFTDZBYDO-UHFFFAOYSA-N 1 2 375.432 3.853 20 30 GHEDLO C=CCn1c(CC(F)(F)F)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000647378331 835519930 /nfs/dbraw/zinc/51/99/30/835519930.db2.gz ORDBGZVFAVAPFG-UHFFFAOYSA-N 1 2 399.848 3.545 20 30 GHEDLO N#Cc1ccc(C[N@H+](CC(N)=O)Cc2ccc(OCc3ccccc3)cc2)cc1 ZINC000052798023 835581013 /nfs/dbraw/zinc/58/10/13/835581013.db2.gz NZEJPEHBQYKKSH-UHFFFAOYSA-N 1 2 385.467 3.625 20 30 GHEDLO N#Cc1ccc(C[N@@H+](CC(N)=O)Cc2ccc(OCc3ccccc3)cc2)cc1 ZINC000052798023 835581017 /nfs/dbraw/zinc/58/10/17/835581017.db2.gz NZEJPEHBQYKKSH-UHFFFAOYSA-N 1 2 385.467 3.625 20 30 GHEDLO N#C[C@@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)c1ccccc1Cl ZINC000179552284 835662983 /nfs/dbraw/zinc/66/29/83/835662983.db2.gz VEPCWYRYIVQOAQ-MOPGFXCFSA-N 1 2 385.920 3.811 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)cc1OC ZINC000628257243 836241293 /nfs/dbraw/zinc/24/12/93/836241293.db2.gz FXNAZNQPRODEBO-FOIQADDNSA-N 1 2 381.900 3.683 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)cc1OC ZINC000628257243 836241301 /nfs/dbraw/zinc/24/13/01/836241301.db2.gz FXNAZNQPRODEBO-FOIQADDNSA-N 1 2 381.900 3.683 20 30 GHEDLO CC[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@@H](C)Cc1ccsc1 ZINC000275135658 836318764 /nfs/dbraw/zinc/31/87/64/836318764.db2.gz LTXZRUNDNQVUCN-WMLDXEAASA-N 1 2 394.500 3.526 20 30 GHEDLO CC[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@@H](C)Cc1ccsc1 ZINC000275135658 836318780 /nfs/dbraw/zinc/31/87/80/836318780.db2.gz LTXZRUNDNQVUCN-WMLDXEAASA-N 1 2 394.500 3.526 20 30 GHEDLO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000510238976 836920806 /nfs/dbraw/zinc/92/08/06/836920806.db2.gz JFWRJKKMPZMSKR-UTKZUKDTSA-N 1 2 398.528 3.814 20 30 GHEDLO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000510238976 836920809 /nfs/dbraw/zinc/92/08/09/836920809.db2.gz JFWRJKKMPZMSKR-UTKZUKDTSA-N 1 2 398.528 3.814 20 30 GHEDLO CCOC(=O)C(C)(C)[N@H+](C)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000580578325 837369961 /nfs/dbraw/zinc/36/99/61/837369961.db2.gz UNTVRZOSTZORLX-UHFFFAOYSA-N 1 2 396.487 3.919 20 30 GHEDLO CCOC(=O)C(C)(C)[N@@H+](C)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000580578325 837369971 /nfs/dbraw/zinc/36/99/71/837369971.db2.gz UNTVRZOSTZORLX-UHFFFAOYSA-N 1 2 396.487 3.919 20 30 GHEDLO C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000549320992 837864628 /nfs/dbraw/zinc/86/46/28/837864628.db2.gz CBJUPFRBLPVONH-KRWDZBQOSA-N 1 2 397.571 3.916 20 30 GHEDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@H](C)c3cccc(C#N)c3)c2C1 ZINC000610364294 838691738 /nfs/dbraw/zinc/69/17/38/838691738.db2.gz OCJUCNOVNHJLRB-MRXNPFEDSA-N 1 2 384.483 3.975 20 30 GHEDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@H](C)c3cccc(C#N)c3)c2C1 ZINC000610364294 838691742 /nfs/dbraw/zinc/69/17/42/838691742.db2.gz OCJUCNOVNHJLRB-MRXNPFEDSA-N 1 2 384.483 3.975 20 30 GHEDLO N#Cc1ccc(N2CC[C@H](Nc3cccc4c3CN(c3cccc[nH+]3)C4)C2=O)cc1 ZINC000378292123 838787259 /nfs/dbraw/zinc/78/72/59/838787259.db2.gz STTKZAVDSZPXOV-QFIPXVFZSA-N 1 2 395.466 3.691 20 30 GHEDLO O=S1(=O)CC[C@H]([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)c2cc(F)ccc21 ZINC000378445295 839136887 /nfs/dbraw/zinc/13/68/87/839136887.db2.gz SPCNLHZZLYCLTQ-KRWDZBQOSA-N 1 2 397.393 3.704 20 30 GHEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(NCc2cc(Br)no2)[nH+]1 ZINC001167496606 844464103 /nfs/dbraw/zinc/46/41/03/844464103.db2.gz LEUAOXYSTPHNIS-POAOACHNSA-N 1 2 399.314 3.634 20 30 GHEDLO CN(C(=O)C[N@H+](C)Cc1ccc(Br)s1)C1(C#N)CCCCC1 ZINC000015109089 840226830 /nfs/dbraw/zinc/22/68/30/840226830.db2.gz NKNGCOHFIDPWHC-UHFFFAOYSA-N 1 2 384.343 3.627 20 30 GHEDLO CN(C(=O)C[N@@H+](C)Cc1ccc(Br)s1)C1(C#N)CCCCC1 ZINC000015109089 840226842 /nfs/dbraw/zinc/22/68/42/840226842.db2.gz NKNGCOHFIDPWHC-UHFFFAOYSA-N 1 2 384.343 3.627 20 30 GHEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000584847408 841061447 /nfs/dbraw/zinc/06/14/47/841061447.db2.gz NEBFBIBUVFMOMO-NVXWUHKLSA-N 1 2 394.475 3.556 20 30 GHEDLO N#Cc1ccc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)cc1Cl ZINC000162519991 841255187 /nfs/dbraw/zinc/25/51/87/841255187.db2.gz DQNAIPMZMXIEEM-UHFFFAOYSA-N 1 2 380.835 3.761 20 30 GHEDLO Cc1cccc(N2CCN(C(=O)NCc3cc[nH+]c(N4CCCCC4)c3)CC2)c1 ZINC000328773278 841276968 /nfs/dbraw/zinc/27/69/68/841276968.db2.gz BMWWJAFOZDBESG-UHFFFAOYSA-N 1 2 393.535 3.617 20 30 GHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC[C@@H]3C3CCOCC3)n2)C1 ZINC000329246778 861198468 /nfs/dbraw/zinc/19/84/68/861198468.db2.gz VWRBGEMWYANQRK-MAUKXSAKSA-N 1 2 392.569 3.812 20 30 GHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC[C@@H]3C3CCOCC3)n2)C1 ZINC000329246778 861198475 /nfs/dbraw/zinc/19/84/75/861198475.db2.gz VWRBGEMWYANQRK-MAUKXSAKSA-N 1 2 392.569 3.812 20 30 GHEDLO C[C@H](CNC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1)[NH+]1CCC(C)CC1 ZINC000329259847 861211100 /nfs/dbraw/zinc/21/11/00/861211100.db2.gz AHZXAGVLQLKIJZ-MJGOQNOKSA-N 1 2 396.539 3.643 20 30 GHEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@H]2c2cccc(Br)c2)CCCCC1 ZINC000603857584 861281506 /nfs/dbraw/zinc/28/15/06/861281506.db2.gz ZBKXJZFNYCMEBV-KRWDZBQOSA-N 1 2 390.325 3.929 20 30 GHEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@H]2c2cccc(Br)c2)CCCCC1 ZINC000603857584 861281516 /nfs/dbraw/zinc/28/15/16/861281516.db2.gz ZBKXJZFNYCMEBV-KRWDZBQOSA-N 1 2 390.325 3.929 20 30 GHEDLO C=CCNc1ncc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)s1 ZINC000130501510 842316938 /nfs/dbraw/zinc/31/69/38/842316938.db2.gz RLJOCPVQRPQJFI-ZBFHGGJFSA-N 1 2 376.913 3.570 20 30 GHEDLO C=CCNc1ncc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)s1 ZINC000130501510 842316950 /nfs/dbraw/zinc/31/69/50/842316950.db2.gz RLJOCPVQRPQJFI-ZBFHGGJFSA-N 1 2 376.913 3.570 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000512165984 842704018 /nfs/dbraw/zinc/70/40/18/842704018.db2.gz RWHUWYIPINZSQR-DNBYOKIBSA-N 1 2 386.536 3.624 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000512165984 842704024 /nfs/dbraw/zinc/70/40/24/842704024.db2.gz RWHUWYIPINZSQR-DNBYOKIBSA-N 1 2 386.536 3.624 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC000512182388 842805589 /nfs/dbraw/zinc/80/55/89/842805589.db2.gz RRXRVSNFCMHQQZ-MSOLQXFVSA-N 1 2 382.504 3.906 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC000512182388 842805594 /nfs/dbraw/zinc/80/55/94/842805594.db2.gz RRXRVSNFCMHQQZ-MSOLQXFVSA-N 1 2 382.504 3.906 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](Cn3c(=O)oc4cc(Cl)ccc43)CC2)cc1 ZINC000728903333 842953013 /nfs/dbraw/zinc/95/30/13/842953013.db2.gz LBOMECFCOGDCIP-UHFFFAOYSA-N 1 2 383.835 3.620 20 30 GHEDLO CCn1c[nH+]c2c1CCN(c1c(C#N)cnc3c(Br)cccc31)C2 ZINC000896653169 861374766 /nfs/dbraw/zinc/37/47/66/861374766.db2.gz ALKUEUAOQOXSIT-UHFFFAOYSA-N 1 2 382.265 3.648 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[C@@H](C(C)(C)C)[C@@H](O)C3)n2)C1 ZINC000329404336 861377268 /nfs/dbraw/zinc/37/72/68/861377268.db2.gz CHWBDUCQRAIZJM-OIISXLGYSA-N 1 2 394.585 3.649 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[C@@H](C(C)(C)C)[C@@H](O)C3)n2)C1 ZINC000329404336 861377277 /nfs/dbraw/zinc/37/72/77/861377277.db2.gz CHWBDUCQRAIZJM-OIISXLGYSA-N 1 2 394.585 3.649 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000512211880 843099641 /nfs/dbraw/zinc/09/96/41/843099641.db2.gz IVFJLASPKYRGFB-HXUWFJFHSA-N 1 2 388.895 3.999 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000512211880 843099662 /nfs/dbraw/zinc/09/96/62/843099662.db2.gz IVFJLASPKYRGFB-HXUWFJFHSA-N 1 2 388.895 3.999 20 30 GHEDLO Cc1cc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cnc1N1CCCC[C@H]1C ZINC000329407145 861380417 /nfs/dbraw/zinc/38/04/17/861380417.db2.gz ZOLRPRAZYMYIRS-QZTJIDSGSA-N 1 2 394.523 3.769 20 30 GHEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@H]2c2ccccc2Br)cc1 ZINC000610676287 843506322 /nfs/dbraw/zinc/50/63/22/843506322.db2.gz RNJADQADQDIMEL-IBGZPJMESA-N 1 2 398.304 3.774 20 30 GHEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]2c2ccccc2Br)cc1 ZINC000610676287 843506328 /nfs/dbraw/zinc/50/63/28/843506328.db2.gz RNJADQADQDIMEL-IBGZPJMESA-N 1 2 398.304 3.774 20 30 GHEDLO C=CCSc1nc2ccccc2n1C[NH+]1CCN([C@H](C)C(F)(F)F)CC1 ZINC000176066517 843752498 /nfs/dbraw/zinc/75/24/98/843752498.db2.gz FGPVFIJYYZMAER-CQSZACIVSA-N 1 2 384.471 3.840 20 30 GHEDLO CC[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@H](C)c1ccc(F)cc1 ZINC000728914212 843916145 /nfs/dbraw/zinc/91/61/45/843916145.db2.gz DDXQPTBYNBBTEA-KDOFPFPSSA-N 1 2 392.434 3.734 20 30 GHEDLO CC[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@H](C)c1ccc(F)cc1 ZINC000728914212 843916147 /nfs/dbraw/zinc/91/61/47/843916147.db2.gz DDXQPTBYNBBTEA-KDOFPFPSSA-N 1 2 392.434 3.734 20 30 GHEDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000610877435 844724095 /nfs/dbraw/zinc/72/40/95/844724095.db2.gz BBWVKQAKLXEWFO-UHFFFAOYSA-N 1 2 398.894 3.878 20 30 GHEDLO CC(C)Oc1ccc(F)cc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000067295915 844891188 /nfs/dbraw/zinc/89/11/88/844891188.db2.gz VWLLWBMEILMOLI-UHFFFAOYSA-N 1 2 396.466 3.834 20 30 GHEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CC=C(c3ccccc3C(F)(F)F)CC2)c1 ZINC000478009346 845105153 /nfs/dbraw/zinc/10/51/53/845105153.db2.gz IEQXVIJBUGFPME-UHFFFAOYSA-N 1 2 399.416 3.983 20 30 GHEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CC=C(c3ccccc3C(F)(F)F)CC2)c1 ZINC000478009346 845105158 /nfs/dbraw/zinc/10/51/58/845105158.db2.gz IEQXVIJBUGFPME-UHFFFAOYSA-N 1 2 399.416 3.983 20 30 GHEDLO C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000673736112 861538725 /nfs/dbraw/zinc/53/87/25/861538725.db2.gz IGHWZSKPUKJMCE-UHFFFAOYSA-N 1 2 385.427 3.875 20 30 GHEDLO N#Cc1cnn2cc(C[N@H+]3CCC[C@H]3c3cccc(Br)c3)cnc12 ZINC000563154073 845484566 /nfs/dbraw/zinc/48/45/66/845484566.db2.gz FRNMPZPXGGWZPH-KRWDZBQOSA-N 1 2 382.265 3.701 20 30 GHEDLO N#Cc1cnn2cc(C[N@@H+]3CCC[C@H]3c3cccc(Br)c3)cnc12 ZINC000563154073 845484573 /nfs/dbraw/zinc/48/45/73/845484573.db2.gz FRNMPZPXGGWZPH-KRWDZBQOSA-N 1 2 382.265 3.701 20 30 GHEDLO Cc1ccc2ncc(/C=C3\COC/C(=C/c4c[nH+]c5ccc(C)cn45)C3=O)n2c1 ZINC000255446624 845543460 /nfs/dbraw/zinc/54/34/60/845543460.db2.gz TZNQEEPVAIDQBR-ZZDPWUPLSA-N 1 2 384.439 3.665 20 30 GHEDLO Cc1ccc2ncc(/C=C3/COC/C(=C\c4c[nH+]c5ccc(C)cn45)C3=O)n2c1 ZINC000255446624 845543464 /nfs/dbraw/zinc/54/34/64/845543464.db2.gz TZNQEEPVAIDQBR-ZZDPWUPLSA-N 1 2 384.439 3.665 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](CC(=O)Nc3ccc4c(c3)CCC4)CC2)c(F)c1 ZINC000512805306 845598361 /nfs/dbraw/zinc/59/83/61/845598361.db2.gz FECMQDUVHPTZJX-UHFFFAOYSA-N 1 2 393.462 3.668 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](Cc3nc(-c4ccc(F)cc4)no3)CC2)c(F)c1 ZINC000512811707 845631442 /nfs/dbraw/zinc/63/14/42/845631442.db2.gz JXGGSCVJVMFMJS-UHFFFAOYSA-N 1 2 396.397 3.930 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@@H](OC(F)F)C2)c1 ZINC000611577443 846378660 /nfs/dbraw/zinc/37/86/60/846378660.db2.gz JDVXMKXIVWPKEW-FUHWJXTLSA-N 1 2 379.451 3.642 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC[C@@H](OC(F)F)C2)c1 ZINC000611577443 846378675 /nfs/dbraw/zinc/37/86/75/846378675.db2.gz JDVXMKXIVWPKEW-FUHWJXTLSA-N 1 2 379.451 3.642 20 30 GHEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000280732389 846514345 /nfs/dbraw/zinc/51/43/45/846514345.db2.gz RDELJGDGXJKSLN-IERDGZPVSA-N 1 2 378.476 3.705 20 30 GHEDLO C=C(CNC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000501098788 846639277 /nfs/dbraw/zinc/63/92/77/846639277.db2.gz NFYXHSPKFPCHKF-NHCUHLMSSA-N 1 2 399.922 3.724 20 30 GHEDLO C=C(CNC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000501098788 846639280 /nfs/dbraw/zinc/63/92/80/846639280.db2.gz NFYXHSPKFPCHKF-NHCUHLMSSA-N 1 2 399.922 3.724 20 30 GHEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2cc(C#N)oc2C)cc1 ZINC000280763929 846925615 /nfs/dbraw/zinc/92/56/15/846925615.db2.gz YYTQMSKYZCPYNM-UHFFFAOYSA-N 1 2 392.459 3.788 20 30 GHEDLO CO[C@H]1C[C@@H](C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCCO2)[N@H+](C)C1 ZINC000329055959 847161110 /nfs/dbraw/zinc/16/11/10/847161110.db2.gz MDUVZVJGKQDQGH-ZOBUZTSGSA-N 1 2 382.888 3.595 20 30 GHEDLO CO[C@H]1C[C@@H](C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCCO2)[N@@H+](C)C1 ZINC000329055959 847161118 /nfs/dbraw/zinc/16/11/18/847161118.db2.gz MDUVZVJGKQDQGH-ZOBUZTSGSA-N 1 2 382.888 3.595 20 30 GHEDLO N#Cc1ccc(Oc2ccc(NC(=O)NCCCCn3cc[nH+]c3)cn2)cc1 ZINC000604085901 861789808 /nfs/dbraw/zinc/78/98/08/861789808.db2.gz FINUIDHNYGFDRH-UHFFFAOYSA-N 1 2 376.420 3.544 20 30 GHEDLO N#Cc1cccc(Oc2ccc(NC(=O)NCCCCn3cc[nH+]c3)cn2)c1 ZINC000604086860 861793245 /nfs/dbraw/zinc/79/32/45/861793245.db2.gz NGFGLWGNOZHBBC-UHFFFAOYSA-N 1 2 376.420 3.544 20 30 GHEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@H](OCc3ccccc3F)C2)C1=O ZINC000548753787 848088449 /nfs/dbraw/zinc/08/84/49/848088449.db2.gz NWKHGTCPHJMBED-HKUYNNGSSA-N 1 2 399.491 3.545 20 30 GHEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@H](OCc3ccccc3F)C2)C1=O ZINC000548753787 848088457 /nfs/dbraw/zinc/08/84/57/848088457.db2.gz NWKHGTCPHJMBED-HKUYNNGSSA-N 1 2 399.491 3.545 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1OC ZINC000628169180 848541269 /nfs/dbraw/zinc/54/12/69/848541269.db2.gz TWMOSKLYHPQWES-CJNGLKHVSA-N 1 2 379.806 3.801 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1OC ZINC000628169180 848541275 /nfs/dbraw/zinc/54/12/75/848541275.db2.gz TWMOSKLYHPQWES-CJNGLKHVSA-N 1 2 379.806 3.801 20 30 GHEDLO N#Cc1ccnc(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)c1 ZINC000504315252 850014331 /nfs/dbraw/zinc/01/43/31/850014331.db2.gz UOBHJWYZHKUOPK-UHFFFAOYSA-N 1 2 389.286 3.654 20 30 GHEDLO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000430134053 850156818 /nfs/dbraw/zinc/15/68/18/850156818.db2.gz BUWGSMMKLXLFEG-CQSZACIVSA-N 1 2 383.858 3.709 20 30 GHEDLO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000430134053 850156826 /nfs/dbraw/zinc/15/68/26/850156826.db2.gz BUWGSMMKLXLFEG-CQSZACIVSA-N 1 2 383.858 3.709 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000550096501 851536707 /nfs/dbraw/zinc/53/67/07/851536707.db2.gz LMQWJOUOZIVQHW-IERDGZPVSA-N 1 2 386.467 3.651 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000550096501 851536711 /nfs/dbraw/zinc/53/67/11/851536711.db2.gz LMQWJOUOZIVQHW-IERDGZPVSA-N 1 2 386.467 3.651 20 30 GHEDLO CCOC(=O)c1cc(C)sc1NC(=O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425532098 851550077 /nfs/dbraw/zinc/55/00/77/851550077.db2.gz IKHIIUMCFXTACU-CQSZACIVSA-N 1 2 385.489 3.736 20 30 GHEDLO CCOC(=O)c1cc(C)sc1NC(=O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425532098 851550081 /nfs/dbraw/zinc/55/00/81/851550081.db2.gz IKHIIUMCFXTACU-CQSZACIVSA-N 1 2 385.489 3.736 20 30 GHEDLO C[C@H](NC(=O)C1CCCCC1)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000329741470 862285691 /nfs/dbraw/zinc/28/56/91/862285691.db2.gz OPKRMDSATKUTRT-HOTGVXAUSA-N 1 2 377.554 3.879 20 30 GHEDLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000732435582 862292304 /nfs/dbraw/zinc/29/23/04/862292304.db2.gz PRGYHFJBCGSBRO-UHFFFAOYSA-N 1 2 393.450 3.989 20 30 GHEDLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CCOCC2(CCC2)C1 ZINC000329774183 862314432 /nfs/dbraw/zinc/31/44/32/862314432.db2.gz IKRVKLNJKXOGAD-UHFFFAOYSA-N 1 2 378.476 3.650 20 30 GHEDLO C[C@@H]1CN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C[C@@H](C2CC2)O1 ZINC000329844189 862367556 /nfs/dbraw/zinc/36/75/56/862367556.db2.gz XPDFGHBRPAMAHY-QRWLVFNGSA-N 1 2 380.492 3.931 20 30 GHEDLO C=CCOc1cccc(C[NH+]2CCN(CC(=O)Nc3ccccc3Cl)CC2)c1 ZINC000506026257 852991128 /nfs/dbraw/zinc/99/11/28/852991128.db2.gz KJYCJODLKFSFHR-UHFFFAOYSA-N 1 2 399.922 3.661 20 30 GHEDLO COc1cc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)ccc1OC(C)C ZINC000506113249 853451471 /nfs/dbraw/zinc/45/14/71/853451471.db2.gz QQXCOXFJASSPOD-UHFFFAOYSA-N 1 2 379.504 3.672 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)c(Cl)c1 ZINC000439447137 853666186 /nfs/dbraw/zinc/66/61/86/853666186.db2.gz FQNPQVFIVMYGNC-UHFFFAOYSA-N 1 2 385.870 3.628 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)c(Cl)c1 ZINC000439447137 853666190 /nfs/dbraw/zinc/66/61/90/853666190.db2.gz FQNPQVFIVMYGNC-UHFFFAOYSA-N 1 2 385.870 3.628 20 30 GHEDLO N#Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)[nH]1 ZINC000156676738 853982482 /nfs/dbraw/zinc/98/24/82/853982482.db2.gz GUSKDMIGLWXJQW-UHFFFAOYSA-N 1 2 394.475 3.712 20 30 GHEDLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000330053746 862536241 /nfs/dbraw/zinc/53/62/41/862536241.db2.gz QWYOMYCIWCYIOF-XUVXKRRUSA-N 1 2 398.551 3.826 20 30 GHEDLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)COC2CCC(C)CC2)CC1 ZINC000330080553 862559703 /nfs/dbraw/zinc/55/97/03/862559703.db2.gz JLRSAAIEABQUMM-UHFFFAOYSA-N 1 2 387.524 3.534 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@H]3[C@@H]4CCO[C@H]4C34CCC4)n2)C1 ZINC000328668503 854497848 /nfs/dbraw/zinc/49/78/48/854497848.db2.gz FDHNEBNJSPIGDY-XLNGHYISSA-N 1 2 390.553 3.659 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@H]3[C@@H]4CCO[C@H]4C34CCC4)n2)C1 ZINC000328668503 854497852 /nfs/dbraw/zinc/49/78/52/854497852.db2.gz FDHNEBNJSPIGDY-XLNGHYISSA-N 1 2 390.553 3.659 20 30 GHEDLO O=C(N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCc2cccc(O)c21)C1CCCCC1 ZINC000328798136 854560831 /nfs/dbraw/zinc/56/08/31/854560831.db2.gz WKVAGUBNSMBPAP-SFHVURJKSA-N 1 2 396.491 3.543 20 30 GHEDLO O=C(N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCc2cccc(O)c21)C1CCCCC1 ZINC000328798136 854560836 /nfs/dbraw/zinc/56/08/36/854560836.db2.gz WKVAGUBNSMBPAP-SFHVURJKSA-N 1 2 396.491 3.543 20 30 GHEDLO CC(C)[C@H](NC(=O)C[N@@H+]1CCOCC12CCCC2)c1ccc2c(c1)OCCO2 ZINC000328911069 854619584 /nfs/dbraw/zinc/61/95/84/854619584.db2.gz GBOTXMGXRXGZPG-NRFANRHFSA-N 1 2 388.508 3.756 20 30 GHEDLO CC(C)[C@H](NC(=O)C[N@H+]1CCOCC12CCCC2)c1ccc2c(c1)OCCO2 ZINC000328911069 854619590 /nfs/dbraw/zinc/61/95/90/854619590.db2.gz GBOTXMGXRXGZPG-NRFANRHFSA-N 1 2 388.508 3.756 20 30 GHEDLO C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330131281 862600680 /nfs/dbraw/zinc/60/06/80/862600680.db2.gz POOJVOUHIIUBEL-LBTNJELSSA-N 1 2 386.414 3.952 20 30 GHEDLO C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330131281 862600688 /nfs/dbraw/zinc/60/06/88/862600688.db2.gz POOJVOUHIIUBEL-LBTNJELSSA-N 1 2 386.414 3.952 20 30 GHEDLO C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330131283 862601101 /nfs/dbraw/zinc/60/11/01/862601101.db2.gz POOJVOUHIIUBEL-QWQRMKEZSA-N 1 2 386.414 3.952 20 30 GHEDLO C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330131283 862601106 /nfs/dbraw/zinc/60/11/06/862601106.db2.gz POOJVOUHIIUBEL-QWQRMKEZSA-N 1 2 386.414 3.952 20 30 GHEDLO Cc1csc(NC(=O)N(Cc2ccccc2)[C@@H](C)C[NH+]2CCOCC2)c1C#N ZINC000572538937 854867764 /nfs/dbraw/zinc/86/77/64/854867764.db2.gz NZFQKKPRVNLGIC-KRWDZBQOSA-N 1 2 398.532 3.683 20 30 GHEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000465631058 855433396 /nfs/dbraw/zinc/43/33/96/855433396.db2.gz RLKXJEXCKADYFV-GOTSBHOMSA-N 1 2 399.498 3.913 20 30 GHEDLO N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)C[N@@H+]1CCC13CCC3)CCCC2 ZINC000330242258 862688268 /nfs/dbraw/zinc/68/82/68/862688268.db2.gz GBWXBNXJKOWAHY-MRXNPFEDSA-N 1 2 382.508 3.634 20 30 GHEDLO N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)C[N@H+]1CCC13CCC3)CCCC2 ZINC000330242258 862688276 /nfs/dbraw/zinc/68/82/76/862688276.db2.gz GBWXBNXJKOWAHY-MRXNPFEDSA-N 1 2 382.508 3.634 20 30 GHEDLO COc1cccc2c1C[N@@H+]([C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)CC2 ZINC000590759795 855566034 /nfs/dbraw/zinc/56/60/34/855566034.db2.gz OJLOHIHKYKVZAO-INIZCTEOSA-N 1 2 381.451 3.528 20 30 GHEDLO COc1cccc2c1C[N@H+]([C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)CC2 ZINC000590759795 855566038 /nfs/dbraw/zinc/56/60/38/855566038.db2.gz OJLOHIHKYKVZAO-INIZCTEOSA-N 1 2 381.451 3.528 20 30 GHEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000056831511 855686631 /nfs/dbraw/zinc/68/66/31/855686631.db2.gz UQEDOIDTAQEFKW-UHFFFAOYSA-N 1 2 380.492 3.588 20 30 GHEDLO N#Cc1cnc2ccc(OC(F)F)cc2c1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000301789039 855758643 /nfs/dbraw/zinc/75/86/43/855758643.db2.gz XXJGSDHNWIISIW-AWEZNQCLSA-N 1 2 381.386 3.794 20 30 GHEDLO N#Cc1ccc2nc(NC3CC[NH+](CC(=O)Nc4ccccc4)CC3)ccc2c1 ZINC000301839258 855766649 /nfs/dbraw/zinc/76/66/49/855766649.db2.gz ZOACPKZCPRRLTC-UHFFFAOYSA-N 1 2 385.471 3.621 20 30 GHEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000591334345 855893272 /nfs/dbraw/zinc/89/32/72/855893272.db2.gz CHKIVELZDDFKAH-NRFANRHFSA-N 1 2 389.503 3.820 20 30 GHEDLO CC1(C)C[N@H+](CCNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CCO1 ZINC000171222594 856046987 /nfs/dbraw/zinc/04/69/87/856046987.db2.gz LNWGMGAIFPFEJD-UHFFFAOYSA-N 1 2 394.475 3.583 20 30 GHEDLO CC1(C)C[N@@H+](CCNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CCO1 ZINC000171222594 856046995 /nfs/dbraw/zinc/04/69/95/856046995.db2.gz LNWGMGAIFPFEJD-UHFFFAOYSA-N 1 2 394.475 3.583 20 30 GHEDLO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507800875 856086570 /nfs/dbraw/zinc/08/65/70/856086570.db2.gz GFBAMKDZARSCEK-CQSZACIVSA-N 1 2 385.414 3.707 20 30 GHEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccc(-c3ccccn3)nc2)CC1 ZINC000591845529 856344498 /nfs/dbraw/zinc/34/44/98/856344498.db2.gz DZJZMBFVPZMWDS-HSZRJFAPSA-N 1 2 387.462 3.665 20 30 GHEDLO Cc1ccc(-c2noc(CN3CC[NH+]([C@H](C)c4ccc(C#N)cc4)CC3)n2)cc1 ZINC000172395375 856420955 /nfs/dbraw/zinc/42/09/55/856420955.db2.gz NAUJYMNELRXFDR-GOSISDBHSA-N 1 2 387.487 3.796 20 30 GHEDLO N#C[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(Br)cc1 ZINC000499383213 856452793 /nfs/dbraw/zinc/45/27/93/856452793.db2.gz NNFFKCNCHGREDX-SFHVURJKSA-N 1 2 395.260 3.689 20 30 GHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)Cc2cccc(F)c2)c1C#N ZINC000007606304 856952992 /nfs/dbraw/zinc/95/29/92/856952992.db2.gz PRPXQNKBWISSBE-UHFFFAOYSA-N 1 2 394.450 3.828 20 30 GHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)Cc2cccc(F)c2)c1C#N ZINC000007606304 856953000 /nfs/dbraw/zinc/95/30/00/856953000.db2.gz PRPXQNKBWISSBE-UHFFFAOYSA-N 1 2 394.450 3.828 20 30 GHEDLO CC[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1cc(F)cc(Br)c1 ZINC000485841381 857137156 /nfs/dbraw/zinc/13/71/56/857137156.db2.gz AFZHGOVUBKVSEE-IRXDYDNUSA-N 1 2 390.256 3.727 20 30 GHEDLO Cn1cc(C[N@@H+](CC(=O)OC(C)(C)C)CC2CC2)c(-c2ccc(C#N)cc2)n1 ZINC000593070785 857335293 /nfs/dbraw/zinc/33/52/93/857335293.db2.gz MENXFOPZGYBSLC-UHFFFAOYSA-N 1 2 380.492 3.512 20 30 GHEDLO Cn1cc(C[N@H+](CC(=O)OC(C)(C)C)CC2CC2)c(-c2ccc(C#N)cc2)n1 ZINC000593070785 857335300 /nfs/dbraw/zinc/33/53/00/857335300.db2.gz MENXFOPZGYBSLC-UHFFFAOYSA-N 1 2 380.492 3.512 20 30 GHEDLO C=CCn1c(SCCn2cc[nH+]c2)nnc1-c1ccc(Br)cc1 ZINC000159708115 862953875 /nfs/dbraw/zinc/95/38/75/862953875.db2.gz RVXYTGAKIWEUCO-UHFFFAOYSA-N 1 2 390.310 3.882 20 30 GHEDLO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000466020905 857853129 /nfs/dbraw/zinc/85/31/29/857853129.db2.gz JMWWICUXWGUCID-YADHBBJMSA-N 1 2 385.471 3.854 20 30 GHEDLO N#CC[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)C1 ZINC000594660854 858258661 /nfs/dbraw/zinc/25/86/61/858258661.db2.gz RXQMWRQWQNZWOK-DYESRHJHSA-N 1 2 389.455 3.736 20 30 GHEDLO N#CC[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)C1 ZINC000594660854 858258667 /nfs/dbraw/zinc/25/86/67/858258667.db2.gz RXQMWRQWQNZWOK-DYESRHJHSA-N 1 2 389.455 3.736 20 30 GHEDLO C=CCc1ccc(OCC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c(OC)c1 ZINC000543095722 858324597 /nfs/dbraw/zinc/32/45/97/858324597.db2.gz NIKMXAZJRVMJBY-UHFFFAOYSA-N 1 2 397.519 3.718 20 30 GHEDLO COc1cc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)ccc1C#N ZINC000443065848 858334647 /nfs/dbraw/zinc/33/46/47/858334647.db2.gz GKUGHNRFLNOMDI-HXUWFJFHSA-N 1 2 380.879 3.603 20 30 GHEDLO CC(C)(CNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[NH+]1CCOCC1 ZINC000066953386 858372429 /nfs/dbraw/zinc/37/24/29/858372429.db2.gz CPECXPOVSUENOP-UHFFFAOYSA-N 1 2 394.475 3.583 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000521927015 858452195 /nfs/dbraw/zinc/45/21/95/858452195.db2.gz QTNPUJJSSQYWKY-KRWDZBQOSA-N 1 2 387.524 3.613 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H](CC#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000595572723 858556588 /nfs/dbraw/zinc/55/65/88/858556588.db2.gz MGDOAJXOMWMMNJ-ZOCIIQOWSA-N 1 2 392.906 3.950 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H](CC#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000595572723 858556591 /nfs/dbraw/zinc/55/65/91/858556591.db2.gz MGDOAJXOMWMMNJ-ZOCIIQOWSA-N 1 2 392.906 3.950 20 30 GHEDLO COc1ccc(-c2csc(NC(=O)[C@H](C)[N@@H+]3CCC[C@@H](CC#N)C3)n2)cc1 ZINC000595619503 858619943 /nfs/dbraw/zinc/61/99/43/858619943.db2.gz CAWIPKJIWFWXKY-GJZGRUSLSA-N 1 2 384.505 3.771 20 30 GHEDLO COc1ccc(-c2csc(NC(=O)[C@H](C)[N@H+]3CCC[C@@H](CC#N)C3)n2)cc1 ZINC000595619503 858619948 /nfs/dbraw/zinc/61/99/48/858619948.db2.gz CAWIPKJIWFWXKY-GJZGRUSLSA-N 1 2 384.505 3.771 20 30 GHEDLO Cc1ccc(C2=NN(C(=O)C[N@@H+]3CCC[C@H](CC#N)C3)[C@@H](c3ccco3)C2)cc1 ZINC000595616165 858632317 /nfs/dbraw/zinc/63/23/17/858632317.db2.gz QTJYSNWCXQECGF-WIYYLYMNSA-N 1 2 390.487 3.891 20 30 GHEDLO Cc1ccc(C2=NN(C(=O)C[N@H+]3CCC[C@H](CC#N)C3)[C@@H](c3ccco3)C2)cc1 ZINC000595616165 858632326 /nfs/dbraw/zinc/63/23/26/858632326.db2.gz QTJYSNWCXQECGF-WIYYLYMNSA-N 1 2 390.487 3.891 20 30 GHEDLO C=CC[C@@H]1CCC[N@H+]([C@@H](C)c2nc(=O)c3c(C)c(C(=O)OCC)sc3[nH]2)C1 ZINC000595658608 858640859 /nfs/dbraw/zinc/64/08/59/858640859.db2.gz GCBGNCBELYHIIM-UONOGXRCSA-N 1 2 389.521 3.819 20 30 GHEDLO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H](CC(F)(F)F)O1 ZINC000595893384 858708582 /nfs/dbraw/zinc/70/85/82/858708582.db2.gz WLEXASGEGHAFHX-GUYCJALGSA-N 1 2 378.398 3.500 20 30 GHEDLO C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H](CC(F)(F)F)O1 ZINC000595893384 858708590 /nfs/dbraw/zinc/70/85/90/858708590.db2.gz WLEXASGEGHAFHX-GUYCJALGSA-N 1 2 378.398 3.500 20 30 GHEDLO C=CCCn1cc(C[NH2+]Cc2ccc(Br)cc2C(F)(F)F)nn1 ZINC000657423133 858744872 /nfs/dbraw/zinc/74/48/72/858744872.db2.gz WYMFYUYTHQFWLY-UHFFFAOYSA-N 1 2 389.219 3.925 20 30 GHEDLO Cn1cc[nH+]c1C[C@H](NC(=O)NC(C)(C)c1cccc(C#N)c1)c1ccccc1 ZINC000596429378 858894336 /nfs/dbraw/zinc/89/43/36/858894336.db2.gz WSAPMXQIYORJTE-FQEVSTJZSA-N 1 2 387.487 3.810 20 30 GHEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025242339 859011900 /nfs/dbraw/zinc/01/19/00/859011900.db2.gz XZFDJSAJMBTFAB-CYBMUJFWSA-N 1 2 377.366 3.916 20 30 GHEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025242339 859011908 /nfs/dbraw/zinc/01/19/08/859011908.db2.gz XZFDJSAJMBTFAB-CYBMUJFWSA-N 1 2 377.366 3.916 20 30 GHEDLO C#CCN(C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)C1CCCCC1 ZINC000764511883 859477158 /nfs/dbraw/zinc/47/71/58/859477158.db2.gz KFEFRAXHRCDWQS-UXHICEINSA-N 1 2 375.463 3.688 20 30 GHEDLO C#CCN(C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)C1CCCCC1 ZINC000764511883 859477160 /nfs/dbraw/zinc/47/71/60/859477160.db2.gz KFEFRAXHRCDWQS-UXHICEINSA-N 1 2 375.463 3.688 20 30 GHEDLO CC(C)(C)[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1Br ZINC000132634341 881427514 /nfs/dbraw/zinc/42/75/14/881427514.db2.gz XTKOOUWLJILVQA-LJQANCHMSA-N 1 2 392.341 3.858 20 30 GHEDLO CC(C)(C)[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1Br ZINC000132634341 881427729 /nfs/dbraw/zinc/42/77/29/881427729.db2.gz XTKOOUWLJILVQA-LJQANCHMSA-N 1 2 392.341 3.858 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(c2ccccn2)CC1 ZINC000611090425 859605898 /nfs/dbraw/zinc/60/58/98/859605898.db2.gz VLROBWLHBFCLGA-CQSZACIVSA-N 1 2 380.517 3.710 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+](C)[C@H]2CC[C@H](SCC)C2)c1=S ZINC000765038182 859747837 /nfs/dbraw/zinc/74/78/37/859747837.db2.gz NMFPVAJIRVRCNE-GJZGRUSLSA-N 1 2 390.582 3.621 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+](C)[C@H]2CC[C@H](SCC)C2)c1=S ZINC000765038182 859747842 /nfs/dbraw/zinc/74/78/42/859747842.db2.gz NMFPVAJIRVRCNE-GJZGRUSLSA-N 1 2 390.582 3.621 20 30 GHEDLO N#Cc1cccc(COc2cccc(NC(=O)Cc3cn4c([nH+]3)CCCC4)c2)c1 ZINC000593408674 859760501 /nfs/dbraw/zinc/76/05/01/859760501.db2.gz RPHRSEUQDPGHJI-UHFFFAOYSA-N 1 2 386.455 3.851 20 30 GHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c1=S ZINC000765084380 859772460 /nfs/dbraw/zinc/77/24/60/859772460.db2.gz ZCNCWXGZAJRMCR-MSOLQXFVSA-N 1 2 385.537 3.511 20 30 GHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c1=S ZINC000765084380 859772465 /nfs/dbraw/zinc/77/24/65/859772465.db2.gz ZCNCWXGZAJRMCR-MSOLQXFVSA-N 1 2 385.537 3.511 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(Br)cn3)CC2)c(Cl)c1 ZINC000439433259 859775806 /nfs/dbraw/zinc/77/58/06/859775806.db2.gz ZBTHNJRJKWCVBU-UHFFFAOYSA-N 1 2 391.700 3.691 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)cc1F ZINC000484090361 859798539 /nfs/dbraw/zinc/79/85/39/859798539.db2.gz CASVRIGYWNFRPH-GOSISDBHSA-N 1 2 377.419 3.838 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)cc1F ZINC000484090361 859798546 /nfs/dbraw/zinc/79/85/46/859798546.db2.gz CASVRIGYWNFRPH-GOSISDBHSA-N 1 2 377.419 3.838 20 30 GHEDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611552535 859809119 /nfs/dbraw/zinc/80/91/19/859809119.db2.gz CJZPSOJFNGZDSE-KKSFZXQISA-N 1 2 382.439 3.986 20 30 GHEDLO COc1ccccc1O[C@H]1CCC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000552216415 860019077 /nfs/dbraw/zinc/01/90/77/860019077.db2.gz APXRODYSGSGPFM-SFHVURJKSA-N 1 2 390.443 3.660 20 30 GHEDLO COc1ccccc1O[C@H]1CCC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000552216415 860019088 /nfs/dbraw/zinc/01/90/88/860019088.db2.gz APXRODYSGSGPFM-SFHVURJKSA-N 1 2 390.443 3.660 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](Cc3c[nH]nc3-c3ccccc3F)CC2)c(F)c1 ZINC000092597057 860085021 /nfs/dbraw/zinc/08/50/21/860085021.db2.gz INWVFINXWHKCGK-UHFFFAOYSA-N 1 2 379.414 3.549 20 30 GHEDLO N#Cc1ccc(-c2cc(N3CC[NH+](Cc4ccc(C(F)F)nc4)CC3)n[nH]2)cc1 ZINC000602711442 860223725 /nfs/dbraw/zinc/22/37/25/860223725.db2.gz XVWNCZDCKIVQRC-UHFFFAOYSA-N 1 2 394.429 3.603 20 30 GHEDLO C[C@H](CS(C)(=O)=O)[N@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)C1CC1 ZINC000093392824 860262458 /nfs/dbraw/zinc/26/24/58/860262458.db2.gz MYLASQCJOKDQDC-QGZVFWFLSA-N 1 2 398.528 3.535 20 30 GHEDLO C[C@H](CS(C)(=O)=O)[N@@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)C1CC1 ZINC000093392824 860262470 /nfs/dbraw/zinc/26/24/70/860262470.db2.gz MYLASQCJOKDQDC-QGZVFWFLSA-N 1 2 398.528 3.535 20 30 GHEDLO COc1ccc(CN(C(=O)C[NH2+][C@H](C)CC#N)[C@H](C)Cc2cccs2)cc1 ZINC000602860925 860318192 /nfs/dbraw/zinc/31/81/92/860318192.db2.gz DXWMNEPWJBVMGH-IAGOWNOFSA-N 1 2 385.533 3.608 20 30 GHEDLO C[C@@H]([NH2+][C@@H](CO)c1cccc(Cl)c1F)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000499963222 860324929 /nfs/dbraw/zinc/32/49/29/860324929.db2.gz IYLPFWQZCLSWBE-HWPZZCPQSA-N 1 2 396.249 3.654 20 30 GHEDLO Cc1nsc(N2CC[NH+](Cc3cc(Cl)cc4cccnc43)CC2)c1C#N ZINC000329786066 860433369 /nfs/dbraw/zinc/43/33/69/860433369.db2.gz QJPNLKCUCJSGGF-UHFFFAOYSA-N 1 2 383.908 3.847 20 30 GHEDLO CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000603160562 860517124 /nfs/dbraw/zinc/51/71/24/860517124.db2.gz ZDWOYCYECSFSRQ-VXKWHMMOSA-N 1 2 399.498 3.541 20 30 GHEDLO C=C(C)COCCNC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000474802227 860803885 /nfs/dbraw/zinc/80/38/85/860803885.db2.gz PPXXFOLOCYERBE-QGZVFWFLSA-N 1 2 383.895 3.508 20 30 GHEDLO N#Cc1cccc(OC2CC[NH+](CC(=O)c3c[nH]c4ccc(F)cc43)CC2)c1 ZINC000625137980 861004330 /nfs/dbraw/zinc/00/43/30/861004330.db2.gz IFITWNDQKISQQN-UHFFFAOYSA-N 1 2 377.419 3.905 20 30 GHEDLO Cc1ccc(C[NH+]2CCN([C@@H](C)c3nc(-c4cccs4)no3)CC2)cc1C#N ZINC000599293544 861035253 /nfs/dbraw/zinc/03/52/53/861035253.db2.gz YNGOAYRLMYPSQB-INIZCTEOSA-N 1 2 393.516 3.857 20 30 GHEDLO COCC1(C)CCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000329132466 861053336 /nfs/dbraw/zinc/05/33/36/861053336.db2.gz ARTFMIIIYCMIIM-UHFFFAOYSA-N 1 2 380.492 3.896 20 30 GHEDLO O=C(C[N@@H+]1CCCN(C(=O)CC2CCCC2)CC1)N[C@@H]1CCOc2ccccc21 ZINC000329164718 861090648 /nfs/dbraw/zinc/09/06/48/861090648.db2.gz GYCJNZVMUBPKLH-HXUWFJFHSA-N 1 2 399.535 3.581 20 30 GHEDLO O=C(C[N@H+]1CCCN(C(=O)CC2CCCC2)CC1)N[C@@H]1CCOc2ccccc21 ZINC000329164718 861090666 /nfs/dbraw/zinc/09/06/66/861090666.db2.gz GYCJNZVMUBPKLH-HXUWFJFHSA-N 1 2 399.535 3.581 20 30 GHEDLO C=CC[N@@H+](CCOC)Cc1cc(Br)c(O)c(Br)c1 ZINC000668055063 863192252 /nfs/dbraw/zinc/19/22/52/863192252.db2.gz QIIOLZIVDHVURQ-UHFFFAOYSA-N 1 2 379.092 3.552 20 30 GHEDLO C=CC[N@H+](CCOC)Cc1cc(Br)c(O)c(Br)c1 ZINC000668055063 863192259 /nfs/dbraw/zinc/19/22/59/863192259.db2.gz QIIOLZIVDHVURQ-UHFFFAOYSA-N 1 2 379.092 3.552 20 30 GHEDLO C[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)[C@H]1CCc2ccccc2C1 ZINC000734001320 863913390 /nfs/dbraw/zinc/91/33/90/863913390.db2.gz AMYSNCIQPOPXGI-ZWKOTPCHSA-N 1 2 375.497 3.962 20 30 GHEDLO C[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)[C@H]1CCc2ccccc2C1 ZINC000734001320 863913398 /nfs/dbraw/zinc/91/33/98/863913398.db2.gz AMYSNCIQPOPXGI-ZWKOTPCHSA-N 1 2 375.497 3.962 20 30 GHEDLO CC[C@H]1c2ccccc2CC[N@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000734003037 863914894 /nfs/dbraw/zinc/91/48/94/863914894.db2.gz WFLWAYKTEVFTIV-ICSRJNTNSA-N 1 2 386.455 3.521 20 30 GHEDLO CC[C@H]1c2ccccc2CC[N@@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000734003037 863914902 /nfs/dbraw/zinc/91/49/02/863914902.db2.gz WFLWAYKTEVFTIV-ICSRJNTNSA-N 1 2 386.455 3.521 20 30 GHEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281992739 864118582 /nfs/dbraw/zinc/11/85/82/864118582.db2.gz HENVFQLJIUISMM-IRXDYDNUSA-N 1 2 393.491 3.922 20 30 GHEDLO CC(C)(C)c1csc(C2CC[NH+]([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)n1 ZINC000734484713 864248716 /nfs/dbraw/zinc/24/87/16/864248716.db2.gz ZJVKVWRMVFJNKX-SFHVURJKSA-N 1 2 382.533 3.718 20 30 GHEDLO Cc1n[nH]c(C[NH+]2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c1C ZINC000897056609 864373036 /nfs/dbraw/zinc/37/30/36/864373036.db2.gz VLKONGYFFRMLLN-RKDXNWHRSA-N 1 2 377.279 3.629 20 30 GHEDLO COc1cccc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c1OC ZINC000475343610 864820186 /nfs/dbraw/zinc/82/01/86/864820186.db2.gz TZKBJPHNQXMXNN-LJQANCHMSA-N 1 2 385.895 3.740 20 30 GHEDLO Cc1ccc(CCCCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000063636513 865076622 /nfs/dbraw/zinc/07/66/22/865076622.db2.gz QOEGTDYSUOOVJO-UHFFFAOYSA-N 1 2 375.516 3.924 20 30 GHEDLO CC(C)(C)c1noc(CO[NH+]=C(N)c2ccc(COc3ccccc3F)cc2)n1 ZINC000736299524 865180607 /nfs/dbraw/zinc/18/06/07/865180607.db2.gz PCAXMOSHYYDIIW-UHFFFAOYSA-N 1 2 398.438 3.922 20 30 GHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594142747 865182254 /nfs/dbraw/zinc/18/22/54/865182254.db2.gz JTIZSZXXRJAACH-UHFFFAOYSA-N 1 2 380.398 3.690 20 30 GHEDLO Cn1cc[nH+]c1C[C@H](NC(=O)NC1(c2ccc(C#N)cc2)CCC1)c1ccccc1 ZINC000594227293 865477618 /nfs/dbraw/zinc/47/76/18/865477618.db2.gz MAQOVVIEPFUSNE-NRFANRHFSA-N 1 2 399.498 3.954 20 30 GHEDLO CC(C)n1ccn(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1=S ZINC000738119973 865495884 /nfs/dbraw/zinc/49/58/84/865495884.db2.gz IOHYITSEJWXBKJ-UHFFFAOYSA-N 1 2 383.521 3.780 20 30 GHEDLO C[C@@H]1c2c(F)cccc2CC[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000738342997 865525259 /nfs/dbraw/zinc/52/52/59/865525259.db2.gz XBDLDCVFOJSGNT-RHSMWYFYSA-N 1 2 386.430 3.982 20 30 GHEDLO C[C@@H]1c2c(F)cccc2CC[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000738342997 865525267 /nfs/dbraw/zinc/52/52/67/865525267.db2.gz XBDLDCVFOJSGNT-RHSMWYFYSA-N 1 2 386.430 3.982 20 30 GHEDLO C=CC[C@H](NC(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1)c1ccncc1 ZINC000739018635 865676380 /nfs/dbraw/zinc/67/63/80/865676380.db2.gz DLQDQWDCCTYIAJ-FQEVSTJZSA-N 1 2 384.549 3.850 20 30 GHEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCc3c(Cl)c(Cl)ccc3C2)cc1 ZINC000608789637 865725196 /nfs/dbraw/zinc/72/51/96/865725196.db2.gz RAXUSIBJEHGQNU-MRXNPFEDSA-N 1 2 391.298 3.857 20 30 GHEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCc3c(Cl)c(Cl)ccc3C2)cc1 ZINC000608789637 865725205 /nfs/dbraw/zinc/72/52/05/865725205.db2.gz RAXUSIBJEHGQNU-MRXNPFEDSA-N 1 2 391.298 3.857 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2[C@H](O)C(F)(F)F)c(Br)c1 ZINC000481144442 865879381 /nfs/dbraw/zinc/87/93/81/865879381.db2.gz QAMGFSLHGFQXCZ-KBPBESRZSA-N 1 2 377.204 3.598 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@H](O)C(F)(F)F)c(Br)c1 ZINC000481144442 865879400 /nfs/dbraw/zinc/87/94/00/865879400.db2.gz QAMGFSLHGFQXCZ-KBPBESRZSA-N 1 2 377.204 3.598 20 30 GHEDLO C[N@H+](Cc1cccc(NS(=O)(=O)c2ccccc2)c1)Cc1ccccc1C#N ZINC000609040760 865914399 /nfs/dbraw/zinc/91/43/99/865914399.db2.gz WDUXGSZKJNJNQJ-UHFFFAOYSA-N 1 2 391.496 3.991 20 30 GHEDLO C[N@@H+](Cc1cccc(NS(=O)(=O)c2ccccc2)c1)Cc1ccccc1C#N ZINC000609040760 865914403 /nfs/dbraw/zinc/91/44/03/865914403.db2.gz WDUXGSZKJNJNQJ-UHFFFAOYSA-N 1 2 391.496 3.991 20 30 GHEDLO C=C(C)C[C@H](C)C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000552802761 866291888 /nfs/dbraw/zinc/29/18/88/866291888.db2.gz FNBUFBITPCFBLR-AWEZNQCLSA-N 1 2 380.286 3.870 20 30 GHEDLO CC[C@H]1C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CCN1CC(F)F ZINC000153332088 866362498 /nfs/dbraw/zinc/36/24/98/866362498.db2.gz JGOKPRWQBVQNGX-HNNXBMFYSA-N 1 2 376.369 3.598 20 30 GHEDLO CC[C@H]1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CCN1CC(F)F ZINC000153332088 866362508 /nfs/dbraw/zinc/36/25/08/866362508.db2.gz JGOKPRWQBVQNGX-HNNXBMFYSA-N 1 2 376.369 3.598 20 30 GHEDLO C=CCn1c(CCC2CCCCC2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000508826833 866399376 /nfs/dbraw/zinc/39/93/76/866399376.db2.gz OQKXHTFFDNLUNS-UHFFFAOYSA-N 1 2 398.555 3.596 20 30 GHEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C3(c4ccc(C#N)cc4)CC3)CC2)c1 ZINC000186633170 866422992 /nfs/dbraw/zinc/42/29/92/866422992.db2.gz YMVFSVAPTRNZKY-GOSISDBHSA-N 1 2 389.499 3.504 20 30 GHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(C)(C)Sc1ccc(Br)cc1 ZINC000742730796 867513032 /nfs/dbraw/zinc/51/30/32/867513032.db2.gz SYNHJPDJSLLRSI-INIZCTEOSA-N 1 2 395.366 3.534 20 30 GHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(C)(C)Sc1ccc(Br)cc1 ZINC000742730796 867513038 /nfs/dbraw/zinc/51/30/38/867513038.db2.gz SYNHJPDJSLLRSI-INIZCTEOSA-N 1 2 395.366 3.534 20 30 GHEDLO Cc1cc(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)ncc1C#N ZINC000457432466 868267235 /nfs/dbraw/zinc/26/72/35/868267235.db2.gz CBEZMFPDIVVDQE-SFHVURJKSA-N 1 2 386.858 3.621 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)c2cc(C)c(C#N)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000457719492 868682344 /nfs/dbraw/zinc/68/23/44/868682344.db2.gz VVFVKJGGABQEAW-PKOBYXMFSA-N 1 2 386.858 3.620 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)c2cc(C)c(C#N)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000457719492 868682352 /nfs/dbraw/zinc/68/23/52/868682352.db2.gz VVFVKJGGABQEAW-PKOBYXMFSA-N 1 2 386.858 3.620 20 30 GHEDLO Cc1ccc([C@H]2CCCCC[N@@H+]2Cc2nc3ccccc3c(=O)n2CC#N)o1 ZINC000744403911 868811125 /nfs/dbraw/zinc/81/11/25/868811125.db2.gz ADEPCVFJZSAOAP-LJQANCHMSA-N 1 2 376.460 3.939 20 30 GHEDLO Cc1ccc([C@H]2CCCCC[N@H+]2Cc2nc3ccccc3c(=O)n2CC#N)o1 ZINC000744403911 868811142 /nfs/dbraw/zinc/81/11/42/868811142.db2.gz ADEPCVFJZSAOAP-LJQANCHMSA-N 1 2 376.460 3.939 20 30 GHEDLO C#CCOc1ccc(Br)cc1C[NH2+]Cc1nc2cc(C)ccc2[nH]1 ZINC000744447820 868850856 /nfs/dbraw/zinc/85/08/56/868850856.db2.gz XXUFBASIBGNZCV-UHFFFAOYSA-N 1 2 384.277 3.936 20 30 GHEDLO C#CCOc1ccc(Br)cc1C[NH2+]Cc1nc2ccc(C)cc2[nH]1 ZINC000744447820 868850865 /nfs/dbraw/zinc/85/08/65/868850865.db2.gz XXUFBASIBGNZCV-UHFFFAOYSA-N 1 2 384.277 3.936 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@@H](C)c2cccc(C#N)c2)[C@@H](C)C1 ZINC000462432414 869404748 /nfs/dbraw/zinc/40/47/48/869404748.db2.gz ZTPVZAIIZFPYBZ-OALUTQOASA-N 1 2 391.515 3.793 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@@H](C)c2cccc(C#N)c2)[C@@H](C)C1 ZINC000462432414 869404757 /nfs/dbraw/zinc/40/47/57/869404757.db2.gz ZTPVZAIIZFPYBZ-OALUTQOASA-N 1 2 391.515 3.793 20 30 GHEDLO CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2ccccc2C[NH+]2CCOCC2)cc1 ZINC000428793731 869573544 /nfs/dbraw/zinc/57/35/44/869573544.db2.gz LIWXORMFJKGSDN-JOCHJYFZSA-N 1 2 391.515 3.811 20 30 GHEDLO COc1cc(C)c(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1C ZINC000446354588 869736362 /nfs/dbraw/zinc/73/63/62/869736362.db2.gz GXPSNTKSCDAVTM-UHFFFAOYSA-N 1 2 378.476 3.533 20 30 GHEDLO N#Cc1ccc(N2CC[C@@H]([NH+]3CCC(c4ncccc4Cl)CC3)C2=O)cc1 ZINC000617556909 870334952 /nfs/dbraw/zinc/33/49/52/870334952.db2.gz OVIRMZRVSTZJIE-LJQANCHMSA-N 1 2 380.879 3.592 20 30 GHEDLO CC#CCSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(OC(F)F)cc1 ZINC000463026927 870686357 /nfs/dbraw/zinc/68/63/57/870686357.db2.gz DIQZBFALHRGXLQ-UHFFFAOYSA-N 1 2 392.475 3.970 20 30 GHEDLO N#Cc1ccc(S(=O)(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)cc1 ZINC000446947014 870757636 /nfs/dbraw/zinc/75/76/36/870757636.db2.gz COZVCYCVNFAQSJ-UHFFFAOYSA-N 1 2 378.457 3.559 20 30 GHEDLO CCc1ccc(C[NH+]2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)nc1 ZINC001193032034 870855663 /nfs/dbraw/zinc/85/56/63/870855663.db2.gz AXTRWFPAAMLFFE-FQEVSTJZSA-N 1 2 399.336 3.789 20 30 GHEDLO C=CC[N@@H+](CCc1nc2ccccc2n1C)[C@H](Cc1ccccc1)C(=O)OCC ZINC001193414534 871097176 /nfs/dbraw/zinc/09/71/76/871097176.db2.gz YJHAXBAVVUJQNS-JOCHJYFZSA-N 1 2 391.515 3.778 20 30 GHEDLO C=CC[N@H+](CCc1nc2ccccc2n1C)[C@H](Cc1ccccc1)C(=O)OCC ZINC001193414534 871097187 /nfs/dbraw/zinc/09/71/87/871097187.db2.gz YJHAXBAVVUJQNS-JOCHJYFZSA-N 1 2 391.515 3.778 20 30 GHEDLO CCOc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)cc1OC ZINC000540364720 871124861 /nfs/dbraw/zinc/12/48/61/871124861.db2.gz FPEOLRJGVAYQGQ-CQSZACIVSA-N 1 2 378.432 3.866 20 30 GHEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cc(Cl)ccc3OC(F)F)C2)nc1 ZINC000428806549 871152402 /nfs/dbraw/zinc/15/24/02/871152402.db2.gz PTQSUSWYPVARDE-OAHLLOKOSA-N 1 2 379.794 3.861 20 30 GHEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cc(Cl)ccc3OC(F)F)C2)nc1 ZINC000428806549 871152407 /nfs/dbraw/zinc/15/24/07/871152407.db2.gz PTQSUSWYPVARDE-OAHLLOKOSA-N 1 2 379.794 3.861 20 30 GHEDLO C=C(C)[C@H]([NH2+]CC(=O)c1[nH]c(C)c(C(=O)OC)c1C)c1ccc(F)c(F)c1 ZINC001193575184 871169350 /nfs/dbraw/zinc/16/93/50/871169350.db2.gz LVGJQKCMFMRRID-SFHVURJKSA-N 1 2 376.403 3.786 20 30 GHEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+]C2(c3c(Cl)cccc3Cl)CC2)cc1 ZINC000540430955 871269542 /nfs/dbraw/zinc/26/95/42/871269542.db2.gz VBUUQLLTXPNEBN-UHFFFAOYSA-N 1 2 395.311 3.918 20 30 GHEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC001194468388 871708972 /nfs/dbraw/zinc/70/89/72/871708972.db2.gz YKRRGYLECUTBLW-OGWOLHLISA-N 1 2 392.341 3.681 20 30 GHEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC001194468388 871708975 /nfs/dbraw/zinc/70/89/75/871708975.db2.gz YKRRGYLECUTBLW-OGWOLHLISA-N 1 2 392.341 3.681 20 30 GHEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000477854608 872067636 /nfs/dbraw/zinc/06/76/36/872067636.db2.gz BRSXTKIWEZLWPU-SFHVURJKSA-N 1 2 387.499 3.886 20 30 GHEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCOC2(C1)CCCCCC2 ZINC000477854608 872067654 /nfs/dbraw/zinc/06/76/54/872067654.db2.gz BRSXTKIWEZLWPU-SFHVURJKSA-N 1 2 387.499 3.886 20 30 GHEDLO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000618852128 872077168 /nfs/dbraw/zinc/07/71/68/872077168.db2.gz RZFAZVYOPYEFEQ-KURNWNDPSA-N 1 2 386.499 3.586 20 30 GHEDLO COc1ccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1OCCCC#N ZINC000093338386 872095221 /nfs/dbraw/zinc/09/52/21/872095221.db2.gz AUWWSJLNNSHNNC-UHFFFAOYSA-N 1 2 381.432 3.844 20 30 GHEDLO COc1ccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1OCCCC#N ZINC000093338386 872095242 /nfs/dbraw/zinc/09/52/42/872095242.db2.gz AUWWSJLNNSHNNC-UHFFFAOYSA-N 1 2 381.432 3.844 20 30 GHEDLO COc1c(C)c[nH+]c(CNC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1C ZINC000767209155 872325207 /nfs/dbraw/zinc/32/52/07/872325207.db2.gz KGXNYVNKIMDMRQ-UHFFFAOYSA-N 1 2 376.460 3.578 20 30 GHEDLO COc1ccc([C@@H]([NH2+]CC(=O)NC2(C#N)CCC2)c2ccccc2Cl)cc1 ZINC000527117634 872700230 /nfs/dbraw/zinc/70/02/30/872700230.db2.gz QOSZMRMHLRSUNU-HXUWFJFHSA-N 1 2 383.879 3.590 20 30 GHEDLO C#CC[N@@H+](CC(=O)Nc1cc(C)ccc1-c1n[nH]c(C)n1)[C@@H]1CCc2ccccc21 ZINC000767889035 872918002 /nfs/dbraw/zinc/91/80/02/872918002.db2.gz GHOAITPVLYFYDQ-JOCHJYFZSA-N 1 2 399.498 3.650 20 30 GHEDLO C#CC[N@H+](CC(=O)Nc1cc(C)ccc1-c1n[nH]c(C)n1)[C@@H]1CCc2ccccc21 ZINC000767889035 872918007 /nfs/dbraw/zinc/91/80/07/872918007.db2.gz GHOAITPVLYFYDQ-JOCHJYFZSA-N 1 2 399.498 3.650 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(N3CCc4ccccc43)CC2)c(C#N)c1C ZINC000619722862 872922084 /nfs/dbraw/zinc/92/20/84/872922084.db2.gz HZNHQFLLGIZSAK-INIZCTEOSA-N 1 2 392.503 3.622 20 30 GHEDLO Cc1c[nH+]ccc1O[C@H]1CCN(C(=O)c2cc(O)cc(-c3cccc(C#N)c3)c2)C1 ZINC001196318060 873027125 /nfs/dbraw/zinc/02/71/25/873027125.db2.gz BYVUCOFYOAKTOO-QFIPXVFZSA-N 1 2 399.450 3.928 20 30 GHEDLO C=CC[NH+]1CCN(C(=O)c2cccc(-c3ccc(OC(F)(F)F)cc3)n2)CC1 ZINC001196621125 873261834 /nfs/dbraw/zinc/26/18/34/873261834.db2.gz NTCNFJROFNZBLI-UHFFFAOYSA-N 1 2 391.393 3.591 20 30 GHEDLO CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=O)c1ccc(C#N)c(CC)c1 ZINC001197275550 873687624 /nfs/dbraw/zinc/68/76/24/873687624.db2.gz NOLXLYALEGQBLP-UHFFFAOYSA-N 1 2 375.432 3.525 20 30 GHEDLO C=CCc1c(Cl)ncnc1NCCSCc1csc(C[NH+](C)C)n1 ZINC001168105500 874220508 /nfs/dbraw/zinc/22/05/08/874220508.db2.gz ONNUWSAHVFFTEK-UHFFFAOYSA-N 1 2 383.974 3.722 20 30 GHEDLO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2Cc3c[nH+]cn3C2)cc1Cl ZINC001198361993 874373330 /nfs/dbraw/zinc/37/33/30/874373330.db2.gz FUAGIZFQZOUPIB-LPHOPBHVSA-N 1 2 391.862 3.938 20 30 GHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(c2ccc(N(C)C)cc2)CC1 ZINC000775881627 874514673 /nfs/dbraw/zinc/51/46/73/874514673.db2.gz CDSKFTMQVTYZJF-JOCHJYFZSA-N 1 2 377.488 3.718 20 30 GHEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000804456967 882870345 /nfs/dbraw/zinc/87/03/45/882870345.db2.gz LIGYVRVDCURIHC-FQEVSTJZSA-N 1 2 397.522 3.977 20 30 GHEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000804456967 882870369 /nfs/dbraw/zinc/87/03/69/882870369.db2.gz LIGYVRVDCURIHC-FQEVSTJZSA-N 1 2 397.522 3.977 20 30 GHEDLO COc1ccc(Br)c([C@H](CO)[N@H+](C)Cc2ccc(C#N)c(C)c2)c1 ZINC000449473207 874905895 /nfs/dbraw/zinc/90/58/95/874905895.db2.gz RLWKVQAPJIBPQY-IBGZPJMESA-N 1 2 389.293 3.803 20 30 GHEDLO COc1ccc(Br)c([C@H](CO)[N@@H+](C)Cc2ccc(C#N)c(C)c2)c1 ZINC000449473207 874905911 /nfs/dbraw/zinc/90/59/11/874905911.db2.gz RLWKVQAPJIBPQY-IBGZPJMESA-N 1 2 389.293 3.803 20 30 GHEDLO C[C@H](CC#N)N[NH+]=CC1=C(N2CCOCC2)/C(=C\c2ccc(Cl)cc2)CC1 ZINC000771886210 875514500 /nfs/dbraw/zinc/51/45/00/875514500.db2.gz ODFZHJFBZCWWTB-LYPAJOBBSA-N 1 2 384.911 3.981 20 30 GHEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1cc(C)nn1-c1ccc(C)cc1 ZINC000491370093 875651787 /nfs/dbraw/zinc/65/17/87/875651787.db2.gz YFSOHAOZURMKNX-UHFFFAOYSA-N 1 2 378.476 3.751 20 30 GHEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1cc(C)nn1-c1ccc(C)cc1 ZINC000491370093 875651791 /nfs/dbraw/zinc/65/17/91/875651791.db2.gz YFSOHAOZURMKNX-UHFFFAOYSA-N 1 2 378.476 3.751 20 30 GHEDLO Cc1ccc(NC(=O)N2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)cc1Cl ZINC000772236414 875823507 /nfs/dbraw/zinc/82/35/07/875823507.db2.gz OHNALRWSDSYTDS-UHFFFAOYSA-N 1 2 398.894 3.901 20 30 GHEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492160885 876354974 /nfs/dbraw/zinc/35/49/74/876354974.db2.gz REKXXAGOOWZUNQ-UHFFFAOYSA-N 1 2 377.448 3.555 20 30 GHEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1C(=O)Nc1ccc(OC)cc1 ZINC000785998194 876399736 /nfs/dbraw/zinc/39/97/36/876399736.db2.gz YTSVPPLDDQEGHJ-GOSISDBHSA-N 1 2 393.487 3.927 20 30 GHEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1C(=O)Nc1ccc(OC)cc1 ZINC000785998194 876399753 /nfs/dbraw/zinc/39/97/53/876399753.db2.gz YTSVPPLDDQEGHJ-GOSISDBHSA-N 1 2 393.487 3.927 20 30 GHEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](CCCC(=O)c2ccccc2)CC1 ZINC000450517194 876554300 /nfs/dbraw/zinc/55/43/00/876554300.db2.gz MVODNAVIAZOHMW-UHFFFAOYSA-N 1 2 390.443 3.591 20 30 GHEDLO C[C@@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)[NH+]1CCSCC1 ZINC000152127411 876923521 /nfs/dbraw/zinc/92/35/21/876923521.db2.gz CXWGNFSZNWEJAE-HNNXBMFYSA-N 1 2 399.491 3.652 20 30 GHEDLO Cc1noc(C)c1C[NH+](CCOc1cccc(C#N)c1)Cc1c(C)noc1C ZINC000609915511 877181368 /nfs/dbraw/zinc/18/13/68/877181368.db2.gz CDUBVMISCKKIJZ-UHFFFAOYSA-N 1 2 380.448 3.849 20 30 GHEDLO CCc1ccccc1O[C@H](C)C(=O)N1CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000609915915 877182093 /nfs/dbraw/zinc/18/20/93/877182093.db2.gz WPOCGFAQWJEARZ-RTBURBONSA-N 1 2 391.515 3.793 20 30 GHEDLO C[C@@H]1CCC[C@H](C)N1C(=O)CO[NH+]=C(N)c1ccc(OCc2ccccc2)cc1 ZINC000746698840 877510659 /nfs/dbraw/zinc/51/06/59/877510659.db2.gz DSHZEDNAUUTVBK-HDICACEKSA-N 1 2 395.503 3.692 20 30 GHEDLO N#Cc1cccc(OCCCCC(=O)OCC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000851399229 877664747 /nfs/dbraw/zinc/66/47/47/877664747.db2.gz PUALNPDGEXMYKV-UHFFFAOYSA-N 1 2 393.487 3.962 20 30 GHEDLO N#CCSc1ccccc1NC(=O)C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000067962389 877714128 /nfs/dbraw/zinc/71/41/28/877714128.db2.gz IKOVDUSKXKIVFB-JOCHJYFZSA-N 1 2 395.528 3.686 20 30 GHEDLO Cc1nn(C)c(N2CC[NH+](Cc3cccc(SC(F)(F)F)c3)CC2)c1C#N ZINC000788277404 877989731 /nfs/dbraw/zinc/98/97/31/877989731.db2.gz ZYHGUOKJPYQDNN-UHFFFAOYSA-N 1 2 395.454 3.534 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCSC[C@H]1C1CC1 ZINC000451652886 878268138 /nfs/dbraw/zinc/26/81/38/878268138.db2.gz LQUKCXMCTWWLEU-PBHICJAKSA-N 1 2 375.563 3.847 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCSC[C@H]1C1CC1 ZINC000451652886 878268155 /nfs/dbraw/zinc/26/81/55/878268155.db2.gz LQUKCXMCTWWLEU-PBHICJAKSA-N 1 2 375.563 3.847 20 30 GHEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)CC1 ZINC000788765518 878302541 /nfs/dbraw/zinc/30/25/41/878302541.db2.gz LXJHOJVELUCPTL-UHFFFAOYSA-N 1 2 376.378 3.747 20 30 GHEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)c(C)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538030124 878699886 /nfs/dbraw/zinc/69/98/86/878699886.db2.gz VWVYAGAYKORDHS-MJGOQNOKSA-N 1 2 386.858 3.620 20 30 GHEDLO CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)c(C)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538030124 878699895 /nfs/dbraw/zinc/69/98/95/878699895.db2.gz VWVYAGAYKORDHS-MJGOQNOKSA-N 1 2 386.858 3.620 20 30 GHEDLO COc1cc(C[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C2CC2)ccc1O ZINC000102176029 879047827 /nfs/dbraw/zinc/04/78/27/879047827.db2.gz XZWCIJLCZVCDCB-UHFFFAOYSA-N 1 2 385.851 3.529 20 30 GHEDLO COc1cc(C[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C2CC2)ccc1O ZINC000102176029 879047845 /nfs/dbraw/zinc/04/78/45/879047845.db2.gz XZWCIJLCZVCDCB-UHFFFAOYSA-N 1 2 385.851 3.529 20 30 GHEDLO C=CCCC[C@H](C)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000538366200 879362654 /nfs/dbraw/zinc/36/26/54/879362654.db2.gz IZHSIIBLSTUOLZ-KFKAGJAMSA-N 1 2 379.932 3.756 20 30 GHEDLO C=CCCC[C@H](C)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000538366200 879362675 /nfs/dbraw/zinc/36/26/75/879362675.db2.gz IZHSIIBLSTUOLZ-KFKAGJAMSA-N 1 2 379.932 3.756 20 30 GHEDLO Cc1cc(N=Cc2cc([N+](=O)[O-])ccc2O)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000790099869 879463498 /nfs/dbraw/zinc/46/34/98/879463498.db2.gz QXUHOKIYHLRJNO-UHFFFAOYSA-N 1 2 382.464 3.890 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(O)c1Br ZINC001275210554 912655467 /nfs/dbraw/zinc/65/54/67/912655467.db2.gz UNGSCFSCSGWENW-IBGZPJMESA-N 1 2 393.325 3.688 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cccc(O)c1Br ZINC001275210554 912655535 /nfs/dbraw/zinc/65/55/35/912655535.db2.gz UNGSCFSCSGWENW-IBGZPJMESA-N 1 2 393.325 3.688 20 30 GHEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+](C)C2Cc3ccccc3C2)c1=S ZINC000919950673 881237260 /nfs/dbraw/zinc/23/72/60/881237260.db2.gz OKLMHNWPHPMIJG-UHFFFAOYSA-N 1 2 377.517 3.719 20 30 GHEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+](C)C2Cc3ccccc3C2)c1=S ZINC000919950673 881237277 /nfs/dbraw/zinc/23/72/77/881237277.db2.gz OKLMHNWPHPMIJG-UHFFFAOYSA-N 1 2 377.517 3.719 20 30 GHEDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)CSc3cc(C#N)ccn3)CC2)cc1 ZINC000551060913 883207269 /nfs/dbraw/zinc/20/72/69/883207269.db2.gz RMACWUAVGJWHGU-UHFFFAOYSA-N 1 2 394.544 3.513 20 30 GHEDLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CCC(Nc2ccccc2C#N)CC1 ZINC000858631096 883244940 /nfs/dbraw/zinc/24/49/40/883244940.db2.gz VRGSIDAQFYHZDH-UHFFFAOYSA-N 1 2 375.480 3.534 20 30 GHEDLO C#C[C@@H](NC(=O)NCCc1cn2cccc(C)c2[nH+]1)c1ccc(Cl)cc1F ZINC000805166228 883649080 /nfs/dbraw/zinc/64/90/80/883649080.db2.gz FGJISTIXNLYQPC-GOSISDBHSA-N 1 2 384.842 3.651 20 30 GHEDLO Cc1ccccc1N1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000026470968 884261624 /nfs/dbraw/zinc/26/16/24/884261624.db2.gz CSCKLIXLVWPJAQ-LJQANCHMSA-N 1 2 394.494 3.592 20 30 GHEDLO CN(CC/C=C/c1cccnc1)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183835854 912839505 /nfs/dbraw/zinc/83/95/05/912839505.db2.gz OKWMNQPKOHODCY-UZHKBWCJSA-N 1 2 388.515 3.870 20 30 GHEDLO CN(CC/C=C/c1cccnc1)C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183835854 912839522 /nfs/dbraw/zinc/83/95/22/912839522.db2.gz OKWMNQPKOHODCY-UZHKBWCJSA-N 1 2 388.515 3.870 20 30 GHEDLO CC(C)N(C)c1ccc(C=[NH+]Nc2cc(CO)ccc2Br)cn1 ZINC000841653771 884926928 /nfs/dbraw/zinc/92/69/28/884926928.db2.gz JNIAIVVDGPZDEK-UHFFFAOYSA-N 1 2 377.286 3.627 20 30 GHEDLO CC(C)(C)[C@H]1CC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1O ZINC000495475340 885898856 /nfs/dbraw/zinc/89/88/56/885898856.db2.gz JTCHZOZXWHEEAI-DLBZAZTESA-N 1 2 389.565 3.556 20 30 GHEDLO CC(C)(C)[C@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1O ZINC000495475340 885898863 /nfs/dbraw/zinc/89/88/63/885898863.db2.gz JTCHZOZXWHEEAI-DLBZAZTESA-N 1 2 389.565 3.556 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000108360122 886070794 /nfs/dbraw/zinc/07/07/94/886070794.db2.gz RNICHJSBCUGZKP-CVEARBPZSA-N 1 2 383.521 3.622 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000108360122 886070809 /nfs/dbraw/zinc/07/08/09/886070809.db2.gz RNICHJSBCUGZKP-CVEARBPZSA-N 1 2 383.521 3.622 20 30 GHEDLO C[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1ncc(Br)cn1 ZINC000556906815 886583210 /nfs/dbraw/zinc/58/32/10/886583210.db2.gz ATMFIKRHRAXAOO-CYBMUJFWSA-N 1 2 375.270 3.772 20 30 GHEDLO COCC[N@H+](CC(=O)N(CCC#N)c1ccc(C)c(C)c1)Cc1cccs1 ZINC000747530581 886859646 /nfs/dbraw/zinc/85/96/46/886859646.db2.gz RIXJPJLABZKKIE-UHFFFAOYSA-N 1 2 385.533 3.760 20 30 GHEDLO COCC[N@@H+](CC(=O)N(CCC#N)c1ccc(C)c(C)c1)Cc1cccs1 ZINC000747530581 886859656 /nfs/dbraw/zinc/85/96/56/886859656.db2.gz RIXJPJLABZKKIE-UHFFFAOYSA-N 1 2 385.533 3.760 20 30 GHEDLO C=CCn1c([C@@H]2COc3ccccc3O2)nn(C[N@H+]2CC[C@@H](CC)C2)c1=S ZINC000119516661 887190890 /nfs/dbraw/zinc/19/08/90/887190890.db2.gz PDIGVFHFHFWRRG-QAPCUYQASA-N 1 2 386.521 3.802 20 30 GHEDLO C=CCn1c([C@@H]2COc3ccccc3O2)nn(C[N@@H+]2CC[C@@H](CC)C2)c1=S ZINC000119516661 887190897 /nfs/dbraw/zinc/19/08/97/887190897.db2.gz PDIGVFHFHFWRRG-QAPCUYQASA-N 1 2 386.521 3.802 20 30 GHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000193877100 887793348 /nfs/dbraw/zinc/79/33/48/887793348.db2.gz PYGFIQMOBZBTAL-AWEZNQCLSA-N 1 2 385.414 3.707 20 30 GHEDLO N#CCOc1ccc(Cl)cc1C[N@@H+](Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000794788480 888034932 /nfs/dbraw/zinc/03/49/32/888034932.db2.gz UXRAUEPXIYVYCJ-UHFFFAOYSA-N 1 2 387.842 3.645 20 30 GHEDLO N#CCOc1ccc(Cl)cc1C[N@H+](Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000794788480 888034938 /nfs/dbraw/zinc/03/49/38/888034938.db2.gz UXRAUEPXIYVYCJ-UHFFFAOYSA-N 1 2 387.842 3.645 20 30 GHEDLO C[C@@H](c1nc2ccccc2s1)N1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000763233766 888377578 /nfs/dbraw/zinc/37/75/78/888377578.db2.gz NYJRXXYUIAPXQI-JXFKEZNVSA-N 1 2 392.528 3.580 20 30 GHEDLO CC[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1ccccc1OCC(=O)N(C)C ZINC000866237052 888791465 /nfs/dbraw/zinc/79/14/65/888791465.db2.gz DNTWGYQHKGWEEC-DNVCBOLYSA-N 1 2 381.476 3.533 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000811454089 889614249 /nfs/dbraw/zinc/61/42/49/889614249.db2.gz GDPZWARHDOPOAR-ZBFHGGJFSA-N 1 2 376.526 3.626 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000811454089 889614257 /nfs/dbraw/zinc/61/42/57/889614257.db2.gz GDPZWARHDOPOAR-ZBFHGGJFSA-N 1 2 376.526 3.626 20 30 GHEDLO C=CCCCCCC[N@H+]1C[C@]2(F)CN(Cc3csc(C)n3)C(=O)[C@]2(F)C1 ZINC001275330011 913395282 /nfs/dbraw/zinc/39/52/82/913395282.db2.gz KCDLNCLQPFYJBB-RBUKOAKNSA-N 1 2 383.508 3.662 20 30 GHEDLO C=CCCCCCC[N@@H+]1C[C@]2(F)CN(Cc3csc(C)n3)C(=O)[C@]2(F)C1 ZINC001275330011 913395296 /nfs/dbraw/zinc/39/52/96/913395296.db2.gz KCDLNCLQPFYJBB-RBUKOAKNSA-N 1 2 383.508 3.662 20 30 GHEDLO C#C[C@H]1CC[C@H](NC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC001133096603 890183565 /nfs/dbraw/zinc/18/35/65/890183565.db2.gz DBUVHCXFVNORAI-ATZDWAIDSA-N 1 2 389.337 3.894 20 30 GHEDLO CC(=[NH+]NC(=S)Nc1cc(C)ccc1C)c1cccc(N2CCOCC2)c1 ZINC000812382061 890591197 /nfs/dbraw/zinc/59/11/97/890591197.db2.gz GTULJCUPKLXVJX-UHFFFAOYSA-N 1 2 382.533 3.851 20 30 GHEDLO Cc1cc(C)c(NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c(C)[nH+]1 ZINC000455489717 891042508 /nfs/dbraw/zinc/04/25/08/891042508.db2.gz VZLZVUJLKVDHKV-QGZVFWFLSA-N 1 2 381.455 3.808 20 30 GHEDLO C#C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccc(F)cc1 ZINC000812895991 891111483 /nfs/dbraw/zinc/11/14/83/891111483.db2.gz SFIZCWZRBAWKRY-XUVXKRRUSA-N 1 2 387.405 3.523 20 30 GHEDLO C#C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccc(F)cc1 ZINC000812895991 891111489 /nfs/dbraw/zinc/11/14/89/891111489.db2.gz SFIZCWZRBAWKRY-XUVXKRRUSA-N 1 2 387.405 3.523 20 30 GHEDLO C#C[C@H](NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccc(F)cc1 ZINC000812939099 891152010 /nfs/dbraw/zinc/15/20/10/891152010.db2.gz UMMDSEDEXWIREP-FQEVSTJZSA-N 1 2 380.467 3.622 20 30 GHEDLO COc1ccc([C@H]2CCCCCN2C(=O)CO[NH+]=C(N)c2ccc(F)cc2)cc1 ZINC000774800452 913556827 /nfs/dbraw/zinc/55/68/27/913556827.db2.gz ZMVWNKWXJODANX-HXUWFJFHSA-N 1 2 399.466 3.615 20 30 GHEDLO COc1cccc(NC2CC[NH+](CC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)c1 ZINC000110036676 891583207 /nfs/dbraw/zinc/58/32/07/891583207.db2.gz JVDRWLFEOZNZTE-UHFFFAOYSA-N 1 2 398.894 3.735 20 30 GHEDLO C#CCOc1cccc(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)c1 ZINC000124636063 891761291 /nfs/dbraw/zinc/76/12/91/891761291.db2.gz BFETZEPLXFFYGM-FGZHOGPDSA-N 1 2 386.455 3.945 20 30 GHEDLO CCCCNc1[nH+]c2ccccc2n1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000875933473 892875298 /nfs/dbraw/zinc/87/52/98/892875298.db2.gz PHPUXFGGEOKILD-SFHVURJKSA-N 1 2 378.476 3.754 20 30 GHEDLO COc1ccc(N2CC[NH+](Cc3ccc(C#N)cc3Br)CC2)cc1 ZINC000778209298 893365661 /nfs/dbraw/zinc/36/56/61/893365661.db2.gz KKBKKRMJRWLXHM-UHFFFAOYSA-N 1 2 386.293 3.652 20 30 GHEDLO C[C@H]1CCc2nc(NC(=O)[C@@H](c3ccc(Cl)cc3)[NH+](C)C)c(C#N)cc2C1 ZINC001135108664 894018451 /nfs/dbraw/zinc/01/84/51/894018451.db2.gz OZTOQNLMPFWBGH-ORAYPTAESA-N 1 2 382.895 3.973 20 30 GHEDLO CC[N@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000878113679 894029161 /nfs/dbraw/zinc/02/91/61/894029161.db2.gz KZWASENMJGKMFZ-ISKFKSNPSA-N 1 2 389.499 3.554 20 30 GHEDLO CC[N@@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000878113679 894029178 /nfs/dbraw/zinc/02/91/78/894029178.db2.gz KZWASENMJGKMFZ-ISKFKSNPSA-N 1 2 389.499 3.554 20 30 GHEDLO N#CCCCn1cc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)c2ccccc21 ZINC000567341074 897076777 /nfs/dbraw/zinc/07/67/77/897076777.db2.gz PXKUMCWWHQNZHF-OXQOHEQNSA-N 1 2 391.475 3.921 20 30 GHEDLO N#CCCCn1cc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)c2ccccc21 ZINC000567341074 897076788 /nfs/dbraw/zinc/07/67/88/897076788.db2.gz PXKUMCWWHQNZHF-OXQOHEQNSA-N 1 2 391.475 3.921 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1cnc3cccc(C)n13)CC2 ZINC001137194519 897830072 /nfs/dbraw/zinc/83/00/72/897830072.db2.gz UDHJNOCQEKCBSU-UHFFFAOYSA-N 1 2 391.519 3.510 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1cnc3cccc(C)n13)CC2 ZINC001137194519 897830078 /nfs/dbraw/zinc/83/00/78/897830078.db2.gz UDHJNOCQEKCBSU-UHFFFAOYSA-N 1 2 391.519 3.510 20 30 GHEDLO CC(C)(C)OC(=O)N1CCN(c2[nH+]cccc2NC2=CC[C@@H](C#N)CC2)CC1 ZINC001212855629 898353860 /nfs/dbraw/zinc/35/38/60/898353860.db2.gz BAZJLGVSPVIZIB-MRXNPFEDSA-N 1 2 383.496 3.758 20 30 GHEDLO C#CCCOc1ccc(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)cc1 ZINC000823118410 898857459 /nfs/dbraw/zinc/85/74/59/898857459.db2.gz YMEOEVGESOUDHG-GOSISDBHSA-N 1 2 378.472 3.734 20 30 GHEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000114811755 899127342 /nfs/dbraw/zinc/12/73/42/899127342.db2.gz UIWSBNSIHBXRHC-QGZVFWFLSA-N 1 2 393.491 3.651 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)N2CCC(C)(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000331962049 899303703 /nfs/dbraw/zinc/30/37/03/899303703.db2.gz VFAHEXFACTUSBD-ROUUACIJSA-N 1 2 392.906 3.950 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)N2CCC(C)(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000331962049 899303710 /nfs/dbraw/zinc/30/37/10/899303710.db2.gz VFAHEXFACTUSBD-ROUUACIJSA-N 1 2 392.906 3.950 20 30 GHEDLO COc1ccc(-c2ncc(C[N@@H+]3CC[C@H]4SC(=O)C=C4C3)s2)cc1OC ZINC001144061358 901003872 /nfs/dbraw/zinc/00/38/72/901003872.db2.gz JPRQJJXRDDRTAG-QGZVFWFLSA-N 1 2 388.514 3.601 20 30 GHEDLO COc1ccc(-c2ncc(C[N@H+]3CC[C@H]4SC(=O)C=C4C3)s2)cc1OC ZINC001144061358 901003881 /nfs/dbraw/zinc/00/38/81/901003881.db2.gz JPRQJJXRDDRTAG-QGZVFWFLSA-N 1 2 388.514 3.601 20 30 GHEDLO C=CCC1(O)CC[NH+](Cc2csc(CC(=O)Nc3cc(C)ccc3C)n2)CC1 ZINC000886770950 901263260 /nfs/dbraw/zinc/26/32/60/901263260.db2.gz ANFQHRTYZZTCFH-UHFFFAOYSA-N 1 2 399.560 3.844 20 30 GHEDLO C=CCCn1cc(-c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)sc2C)nn1 ZINC000887461326 902395198 /nfs/dbraw/zinc/39/51/98/902395198.db2.gz SVAQKDLCSBIEAJ-LJQANCHMSA-N 1 2 395.532 3.860 20 30 GHEDLO C=CCCn1cc(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)sc2C)nn1 ZINC000887461326 902395209 /nfs/dbraw/zinc/39/52/09/902395209.db2.gz SVAQKDLCSBIEAJ-LJQANCHMSA-N 1 2 395.532 3.860 20 30 GHEDLO COCC[N@H+](Cc1nc2cc(Br)ccc2[nH]1)Cc1ccc(C#N)cc1 ZINC000158995700 902413976 /nfs/dbraw/zinc/41/39/76/902413976.db2.gz CMBZEIIRQUXHGY-UHFFFAOYSA-N 1 2 399.292 3.846 20 30 GHEDLO COCC[N@@H+](Cc1nc2cc(Br)ccc2[nH]1)Cc1ccc(C#N)cc1 ZINC000158995700 902413980 /nfs/dbraw/zinc/41/39/80/902413980.db2.gz CMBZEIIRQUXHGY-UHFFFAOYSA-N 1 2 399.292 3.846 20 30 GHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1cc(C#N)ccc1NC1CC1 ZINC000577402750 902742959 /nfs/dbraw/zinc/74/29/59/902742959.db2.gz OHBYOPGUDZJXIB-UHFFFAOYSA-N 1 2 381.386 3.708 20 30 GHEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3cccc(OCC#N)c3)CC2)c1 ZINC000264151066 902877769 /nfs/dbraw/zinc/87/77/69/902877769.db2.gz QKHUOKMLSUKVFT-QGZVFWFLSA-N 1 2 394.475 3.508 20 30 GHEDLO CCOC(=O)[C@H]1c2ccc(OC)cc2CC[N@@H+]1[C@@H](C)Cc1cccc(C#N)c1 ZINC001171234582 903082594 /nfs/dbraw/zinc/08/25/94/903082594.db2.gz VABMJCYLRBXQQW-KSFYIVLOSA-N 1 2 378.472 3.660 20 30 GHEDLO CCOC(=O)[C@H]1c2ccc(OC)cc2CC[N@H+]1[C@@H](C)Cc1cccc(C#N)c1 ZINC001171234582 903082604 /nfs/dbraw/zinc/08/26/04/903082604.db2.gz VABMJCYLRBXQQW-KSFYIVLOSA-N 1 2 378.472 3.660 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000578369891 903775130 /nfs/dbraw/zinc/77/51/30/903775130.db2.gz HEBDQDIEOJICCT-UHFFFAOYSA-N 1 2 381.375 3.680 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000578369891 903775141 /nfs/dbraw/zinc/77/51/41/903775141.db2.gz HEBDQDIEOJICCT-UHFFFAOYSA-N 1 2 381.375 3.680 20 30 GHEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000151383445 904119506 /nfs/dbraw/zinc/11/95/06/904119506.db2.gz YUOZMHIZBMPKTK-RXVVDRJESA-N 1 2 377.492 3.515 20 30 GHEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCC2CCC(C#N)CC2)C[C@H](C)O1 ZINC000282744013 904300239 /nfs/dbraw/zinc/30/02/39/904300239.db2.gz PARDUCQRGUYHMO-YXWAVELNSA-N 1 2 384.524 3.747 20 30 GHEDLO CCc1nc([C@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)cs1 ZINC000174079135 905197769 /nfs/dbraw/zinc/19/77/69/905197769.db2.gz DXYKQZLMDKHTOA-GJZGRUSLSA-N 1 2 386.521 3.700 20 30 GHEDLO CCOC(=O)[C@H]1c2ccc(OC)cc2CC[N@@H+]1[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172318193 905471025 /nfs/dbraw/zinc/47/10/25/905471025.db2.gz ZUUCROKXLMLSOQ-KSFYIVLOSA-N 1 2 378.472 3.660 20 30 GHEDLO CCOC(=O)[C@H]1c2ccc(OC)cc2CC[N@H+]1[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172318193 905471033 /nfs/dbraw/zinc/47/10/33/905471033.db2.gz ZUUCROKXLMLSOQ-KSFYIVLOSA-N 1 2 378.472 3.660 20 30 GHEDLO COC(=O)C1([NH2+][C@@H](C)CCCC#N)CCN(Cc2ccc(Cl)cc2)CC1 ZINC001172479621 905556842 /nfs/dbraw/zinc/55/68/42/905556842.db2.gz NFBHBDOSTOLLJZ-INIZCTEOSA-N 1 2 377.916 3.520 20 30 GHEDLO O=C(c1ccccc1)N1CC[C@H]2C[C@H]([N@@H+]3CC[C@@H]4SC(=O)C=C4C3)CC[C@H]2C1 ZINC001172521832 905581877 /nfs/dbraw/zinc/58/18/77/905581877.db2.gz GVMKVKFAQDCGHO-MMKMLUHNSA-N 1 2 396.556 3.592 20 30 GHEDLO O=C(c1ccccc1)N1CC[C@H]2C[C@H]([N@H+]3CC[C@@H]4SC(=O)C=C4C3)CC[C@H]2C1 ZINC001172521832 905581887 /nfs/dbraw/zinc/58/18/87/905581887.db2.gz GVMKVKFAQDCGHO-MMKMLUHNSA-N 1 2 396.556 3.592 20 30 GHEDLO Cc1ccc([C@H](C)[N@H+](C)CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)c(C)c1 ZINC000299094699 921189395 /nfs/dbraw/zinc/18/93/95/921189395.db2.gz ZYXGHKDRYDDADL-LPHOPBHVSA-N 1 2 388.471 3.822 20 30 GHEDLO Cc1ccc([C@H](C)[N@@H+](C)CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)c(C)c1 ZINC000299094699 921189398 /nfs/dbraw/zinc/18/93/98/921189398.db2.gz ZYXGHKDRYDDADL-LPHOPBHVSA-N 1 2 388.471 3.822 20 30 GHEDLO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001173080598 906179786 /nfs/dbraw/zinc/17/97/86/906179786.db2.gz ZHRCROLRDZZVRM-GDLCADMTSA-N 1 2 389.311 3.853 20 30 GHEDLO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001173080598 906179791 /nfs/dbraw/zinc/17/97/91/906179791.db2.gz ZHRCROLRDZZVRM-GDLCADMTSA-N 1 2 389.311 3.853 20 30 GHEDLO C=CCOC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@H](C)CSCC ZINC001173293292 906355603 /nfs/dbraw/zinc/35/56/03/906355603.db2.gz DYXNEZYHKMWTON-CVEARBPZSA-N 1 2 388.574 3.510 20 30 GHEDLO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2cccc(-c3ccccn3)c2)[C@@H](C#N)C1 ZINC000779413085 906865573 /nfs/dbraw/zinc/86/55/73/906865573.db2.gz RIIRUOBBAIFGAS-ICSRJNTNSA-N 1 2 378.476 3.597 20 30 GHEDLO C=CCNC(=O)c1ccc(NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cc1 ZINC000183726423 907447567 /nfs/dbraw/zinc/44/75/67/907447567.db2.gz PXTFNQZUANHFLN-MRXNPFEDSA-N 1 2 398.532 3.575 20 30 GHEDLO COc1ccccc1[C@H]1CSCCC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC001175947087 907859240 /nfs/dbraw/zinc/85/92/40/907859240.db2.gz PIXSHKHEYDZAIY-LJQANCHMSA-N 1 2 381.501 3.686 20 30 GHEDLO COc1ccccc1[C@H]1CSCCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC001175947087 907859258 /nfs/dbraw/zinc/85/92/58/907859258.db2.gz PIXSHKHEYDZAIY-LJQANCHMSA-N 1 2 381.501 3.686 20 30 GHEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2sc(-c3ccccc3)nc2C(F)F)C1 ZINC001177759663 908740521 /nfs/dbraw/zinc/74/05/21/908740521.db2.gz SYOJUWVYCFXXNY-CQSZACIVSA-N 1 2 375.444 3.575 20 30 GHEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2sc(-c3ccccc3)nc2C(F)F)C1 ZINC001177759663 908740526 /nfs/dbraw/zinc/74/05/26/908740526.db2.gz SYOJUWVYCFXXNY-CQSZACIVSA-N 1 2 375.444 3.575 20 30 GHEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1O ZINC000267418485 909490587 /nfs/dbraw/zinc/49/05/87/909490587.db2.gz VWWVLBDSAKIQOF-HNNXBMFYSA-N 1 2 399.516 3.866 20 30 GHEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1O ZINC000267418485 909490595 /nfs/dbraw/zinc/49/05/95/909490595.db2.gz VWWVLBDSAKIQOF-HNNXBMFYSA-N 1 2 399.516 3.866 20 30 GHEDLO CO[C@@H](C)c1nc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)cs1 ZINC000267594953 909559707 /nfs/dbraw/zinc/55/97/07/909559707.db2.gz BTWPMBRMCIUQKV-HNNXBMFYSA-N 1 2 381.505 3.917 20 30 GHEDLO C#Cc1cccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)c1 ZINC000245712757 909848791 /nfs/dbraw/zinc/84/87/91/909848791.db2.gz FQCZBZOQRMIKQG-UXHICEINSA-N 1 2 383.879 3.515 20 30 GHEDLO C#Cc1cccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000245712757 909848802 /nfs/dbraw/zinc/84/88/02/909848802.db2.gz FQCZBZOQRMIKQG-UXHICEINSA-N 1 2 383.879 3.515 20 30 GHEDLO CCOc1cc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)ccc1O ZINC001181371501 910733266 /nfs/dbraw/zinc/73/32/66/910733266.db2.gz CPRBOJJWXHBSFY-LJQANCHMSA-N 1 2 385.895 3.827 20 30 GHEDLO N#Cc1ccc(CN2CCC[N@H+](Cc3cnc([C@@H]4CCCO4)s3)CC2)cc1 ZINC000271051428 910768574 /nfs/dbraw/zinc/76/85/74/910768574.db2.gz WLFIEVBYBUMJRS-FQEVSTJZSA-N 1 2 382.533 3.574 20 30 GHEDLO N#Cc1ccc(CN2CCC[N@@H+](Cc3cnc([C@@H]4CCCO4)s3)CC2)cc1 ZINC000271051428 910768592 /nfs/dbraw/zinc/76/85/92/910768592.db2.gz WLFIEVBYBUMJRS-FQEVSTJZSA-N 1 2 382.533 3.574 20 30 GHEDLO COc1ccccc1-c1nc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cs1 ZINC000292159326 915541133 /nfs/dbraw/zinc/54/11/33/915541133.db2.gz KUZSVEWWVUDPMS-QGZVFWFLSA-N 1 2 392.484 3.739 20 30 GHEDLO COc1ccccc1-c1nc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cs1 ZINC000292159326 915541142 /nfs/dbraw/zinc/54/11/42/915541142.db2.gz KUZSVEWWVUDPMS-QGZVFWFLSA-N 1 2 392.484 3.739 20 30 GHEDLO CC(C)N(C(=O)[C@H](C)O[NH+]=C(N)c1ccc(OCc2ccccc2)cc1)C(C)C ZINC000097571212 915701754 /nfs/dbraw/zinc/70/17/54/915701754.db2.gz VIOFDXMUUGXGQC-SFHVURJKSA-N 1 2 397.519 3.936 20 30 GHEDLO CC(C)[C@H]1C[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)CCCO1 ZINC000293009961 915948579 /nfs/dbraw/zinc/94/85/79/915948579.db2.gz DOAXOPXLEUYLEC-SJLPKXTDSA-N 1 2 375.538 3.766 20 30 GHEDLO CC(C)[C@H]1C[N@@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)CCCO1 ZINC000293009961 915948592 /nfs/dbraw/zinc/94/85/92/915948592.db2.gz DOAXOPXLEUYLEC-SJLPKXTDSA-N 1 2 375.538 3.766 20 30 GHEDLO C#Cc1cccc(NC(=O)NC(=O)C[N@H+]2CCC[C@H]2c2cccc(Cl)c2)c1 ZINC001190389836 917294750 /nfs/dbraw/zinc/29/47/50/917294750.db2.gz AZDTVJFPNHICNJ-IBGZPJMESA-N 1 2 381.863 3.807 20 30 GHEDLO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@H]2c2cccc(Cl)c2)c1 ZINC001190389836 917294761 /nfs/dbraw/zinc/29/47/61/917294761.db2.gz AZDTVJFPNHICNJ-IBGZPJMESA-N 1 2 381.863 3.807 20 30 GHEDLO CCCCCCCCNC(=O)N1Cc2c[nH+]cn2C[C@H](COc2ccccn2)C1 ZINC001191061381 917732874 /nfs/dbraw/zinc/73/28/74/917732874.db2.gz PRLXXGIECNNQKN-LJQANCHMSA-N 1 2 399.539 3.859 20 30 GHEDLO Cc1noc([C@H]2CCC[N@H+]2CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)n1 ZINC000298019167 920086017 /nfs/dbraw/zinc/08/60/17/920086017.db2.gz BABQGDXZTIANRQ-BLLLJJGKSA-N 1 2 399.520 3.602 20 30 GHEDLO Cc1noc([C@H]2CCC[N@@H+]2CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)n1 ZINC000298019167 920086028 /nfs/dbraw/zinc/08/60/28/920086028.db2.gz BABQGDXZTIANRQ-BLLLJJGKSA-N 1 2 399.520 3.602 20 30 GHEDLO C[C@H](Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(=O)Nc1ccccc1C#N ZINC000368428429 922667716 /nfs/dbraw/zinc/66/77/16/922667716.db2.gz FUPIQJQNTLCHEW-INIZCTEOSA-N 1 2 383.455 3.913 20 30 GHEDLO Cn1c2ccccc2nc1[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000368491897 922710830 /nfs/dbraw/zinc/71/08/30/922710830.db2.gz XZNVRWRUUJNTTN-QHCPKHFHSA-N 1 2 392.466 3.972 20 30 GHEDLO CSc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1 ZINC000368515420 922722908 /nfs/dbraw/zinc/72/29/08/922722908.db2.gz VEPQPPPIRBMUAA-MRXNPFEDSA-N 1 2 380.517 3.688 20 30 GHEDLO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000903262114 922888571 /nfs/dbraw/zinc/88/85/71/922888571.db2.gz AJGRMDGBWYAYTA-BBRMVZONSA-N 1 2 375.469 3.953 20 30 GHEDLO C[C@H]1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)C[C@@H]1n1cc[nH+]c1 ZINC000368942857 922993387 /nfs/dbraw/zinc/99/33/87/922993387.db2.gz ZPJAPQXIVZMLKA-UWJYYQICSA-N 1 2 375.476 3.865 20 30 GHEDLO COc1ccccc1-c1noc([C@H](C)[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)n1 ZINC000369671946 923533842 /nfs/dbraw/zinc/53/38/42/923533842.db2.gz KLQKBJVVHTUUDT-CABCVRRESA-N 1 2 378.432 3.887 20 30 GHEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000411194334 926183059 /nfs/dbraw/zinc/18/30/59/926183059.db2.gz PYBBLKVGKMTAET-GOSISDBHSA-N 1 2 392.459 3.918 20 30 GHEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000411194334 926183065 /nfs/dbraw/zinc/18/30/65/926183065.db2.gz PYBBLKVGKMTAET-GOSISDBHSA-N 1 2 392.459 3.918 20 30 GHEDLO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccccc1)Cn1cccc(C#N)c1=O ZINC000750607915 927746795 /nfs/dbraw/zinc/74/67/95/927746795.db2.gz JWEKQPIXXLGSBM-UHFFFAOYSA-N 1 2 395.466 3.662 20 30 GHEDLO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccccc1)Cn1cccc(C#N)c1=O ZINC000750607915 927746801 /nfs/dbraw/zinc/74/68/01/927746801.db2.gz JWEKQPIXXLGSBM-UHFFFAOYSA-N 1 2 395.466 3.662 20 30 GHEDLO C=CCNC(=O)NC(=O)C[NH2+][C@@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC000544188922 928909322 /nfs/dbraw/zinc/90/93/22/928909322.db2.gz JPALHUZRDNVQHY-SFHVURJKSA-N 1 2 392.286 3.684 20 30 GHEDLO Cc1oc(NC(=O)C[NH+]2CCC(Cc3ccc(F)c(F)c3)CC2)c(C#N)c1C ZINC000469470994 929922445 /nfs/dbraw/zinc/92/24/45/929922445.db2.gz RZQQTMUDHZXAOW-UHFFFAOYSA-N 1 2 387.430 3.940 20 30 GHEDLO Cc1nc2ccccn2c1C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471015709 931096666 /nfs/dbraw/zinc/09/66/66/931096666.db2.gz ZBKSXYSHRIVHMY-IBGZPJMESA-N 1 2 379.895 3.679 20 30 GHEDLO Cn1nc(C(F)(F)F)c(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)c1Cl ZINC000782153250 931103180 /nfs/dbraw/zinc/10/31/80/931103180.db2.gz NHFAVDRROIBCSC-UHFFFAOYSA-N 1 2 397.832 3.676 20 30 GHEDLO Cn1nc(C(F)(F)F)c(C[N@H+]2CCCN(c3ccccc3C#N)CC2)c1Cl ZINC000782153250 931103185 /nfs/dbraw/zinc/10/31/85/931103185.db2.gz NHFAVDRROIBCSC-UHFFFAOYSA-N 1 2 397.832 3.676 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)/C=C/c2ccccc2C#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000782750687 931324363 /nfs/dbraw/zinc/32/43/63/931324363.db2.gz QKPBQGDHQONROM-RLYSMMSMSA-N 1 2 399.416 3.940 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)/C=C/c2ccccc2C#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000782750687 931324365 /nfs/dbraw/zinc/32/43/65/931324365.db2.gz QKPBQGDHQONROM-RLYSMMSMSA-N 1 2 399.416 3.940 20 30 GHEDLO CC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(C#N)c1O ZINC000924760985 931527686 /nfs/dbraw/zinc/52/76/86/931527686.db2.gz SFLMSSLDHITCOW-HXUWFJFHSA-N 1 2 383.467 3.605 20 30 GHEDLO C[NH+](C)[C@@H](CNc1nc2cc(Cl)ccn2c1C#N)c1c(F)cccc1F ZINC000557600033 931566556 /nfs/dbraw/zinc/56/65/56/931566556.db2.gz QYCLXLPKLCJBRT-HNNXBMFYSA-N 1 2 375.810 3.852 20 30 GHEDLO C=CCN1C(=O)/C(=C\c2c[nH+]c3c(C)cc(Br)cn23)SC1=S ZINC000783697358 931621227 /nfs/dbraw/zinc/62/12/27/931621227.db2.gz RLNOFVGEQJABDF-WUXMJOGZSA-N 1 2 394.319 3.792 20 30 GHEDLO CCOC(=O)c1[nH]c2c(c1C)C(=O)/C(=C/c1cc(-n3cc[nH+]c3)cs1)CC2 ZINC000783702042 931622642 /nfs/dbraw/zinc/62/26/42/931622642.db2.gz PTQPCMABSJAWEH-MDWZMJQESA-N 1 2 381.457 3.960 20 30 GHEDLO O=C(/C=C\c1cc(-n2cc[nH+]c2)cs1)c1c(F)cccc1N1CCOCC1 ZINC000783710717 931625074 /nfs/dbraw/zinc/62/50/74/931625074.db2.gz MKJYWNXKQQFOHY-PLNGDYQASA-N 1 2 383.448 3.806 20 30 GHEDLO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2Cc2nc3ccccc3c(=O)n2CC#N)c1 ZINC000784352282 931866726 /nfs/dbraw/zinc/86/67/26/931866726.db2.gz GHMKGQNBAXVJTK-KKSFZXQISA-N 1 2 388.471 3.512 20 30 GHEDLO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2Cc2nc3ccccc3c(=O)n2CC#N)c1 ZINC000784352282 931866728 /nfs/dbraw/zinc/86/67/28/931866728.db2.gz GHMKGQNBAXVJTK-KKSFZXQISA-N 1 2 388.471 3.512 20 30 GHEDLO N#Cc1cccc(OCC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)c1 ZINC000797699779 932373306 /nfs/dbraw/zinc/37/33/06/932373306.db2.gz HKZZLHJTKBMNQV-UHFFFAOYSA-N 1 2 394.862 3.516 20 30 GHEDLO C=CCO[C@@H]1CC[N@@H+](CC(=O)Nc2cc3oc4ccccc4c3cc2OC)C1 ZINC001116541481 933622216 /nfs/dbraw/zinc/62/22/16/933622216.db2.gz GLLZQVSKGVYRBC-OAHLLOKOSA-N 1 2 380.444 3.810 20 30 GHEDLO C=CCO[C@@H]1CC[N@H+](CC(=O)Nc2cc3oc4ccccc4c3cc2OC)C1 ZINC001116541481 933622223 /nfs/dbraw/zinc/62/22/23/933622223.db2.gz GLLZQVSKGVYRBC-OAHLLOKOSA-N 1 2 380.444 3.810 20 30 GHEDLO C=C[C@@H](COC)[NH2+][C@@H](C)c1cc(Br)cc(Br)c1O ZINC001116619958 933668729 /nfs/dbraw/zinc/66/87/29/933668729.db2.gz CDPPNZLLKVNLOF-WPRPVWTQSA-N 1 2 379.092 3.769 20 30 GHEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC[C@H]1c1ccsc1 ZINC001121495732 934674042 /nfs/dbraw/zinc/67/40/42/934674042.db2.gz PCNCUSQTWSESNO-ROUUACIJSA-N 1 2 387.553 3.649 20 30 GHEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC[C@H]1c1ccsc1 ZINC001121495732 934674047 /nfs/dbraw/zinc/67/40/47/934674047.db2.gz PCNCUSQTWSESNO-ROUUACIJSA-N 1 2 387.553 3.649 20 30 GHEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC[C@@H](OCC)C1 ZINC001121581255 934704819 /nfs/dbraw/zinc/70/48/19/934704819.db2.gz LAMCFQQWRKRPLS-UYAOXDASSA-N 1 2 383.540 3.662 20 30 GHEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC[C@@H](OCC)C1 ZINC001121581255 934704822 /nfs/dbraw/zinc/70/48/22/934704822.db2.gz LAMCFQQWRKRPLS-UYAOXDASSA-N 1 2 383.540 3.662 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@@H](c2ccccc2)C1 ZINC001121584310 934706890 /nfs/dbraw/zinc/70/68/90/934706890.db2.gz NKDUZNZBFKLFQJ-OAQYLSRUSA-N 1 2 390.535 3.551 20 30 GHEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N(Cc1cccs1)C1CC1 ZINC001121593989 934710038 /nfs/dbraw/zinc/71/00/38/934710038.db2.gz KORXXWLYZAVSRU-IEBWSBKVSA-N 1 2 399.564 3.620 20 30 GHEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N(Cc1cccs1)C1CC1 ZINC001121593989 934710040 /nfs/dbraw/zinc/71/00/40/934710040.db2.gz KORXXWLYZAVSRU-IEBWSBKVSA-N 1 2 399.564 3.620 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2Cc2ccccc2)nnc1N1CCC[C@@H](C)C1 ZINC001121621207 934717911 /nfs/dbraw/zinc/71/79/11/934717911.db2.gz YWMJBQKPMMYECN-GOSISDBHSA-N 1 2 376.508 3.536 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC[C@H](Cc2nccs2)C1 ZINC001122440593 934870275 /nfs/dbraw/zinc/87/02/75/934870275.db2.gz FMRCMCGXQDKAAU-IAGOWNOFSA-N 1 2 386.569 3.537 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC[C@H](Cc2nccs2)C1 ZINC001122440593 934870281 /nfs/dbraw/zinc/87/02/81/934870281.db2.gz FMRCMCGXQDKAAU-IAGOWNOFSA-N 1 2 386.569 3.537 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[C@H](c2ccccc2OC)C1 ZINC001122440921 934870546 /nfs/dbraw/zinc/87/05/46/934870546.db2.gz MONXQAFDQKWICI-HKUYNNGSSA-N 1 2 381.524 3.623 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[C@H](c2ccccc2OC)C1 ZINC001122440921 934870555 /nfs/dbraw/zinc/87/05/55/934870555.db2.gz MONXQAFDQKWICI-HKUYNNGSSA-N 1 2 381.524 3.623 20 30 GHEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCC[C@H]1C1CCC1 ZINC001122626867 934925498 /nfs/dbraw/zinc/92/54/98/934925498.db2.gz FCRRKGGTWHYORC-AABGKKOBSA-N 1 2 385.556 3.549 20 30 GHEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCC[C@H]1C1CCC1 ZINC001122626867 934925500 /nfs/dbraw/zinc/92/55/00/934925500.db2.gz FCRRKGGTWHYORC-AABGKKOBSA-N 1 2 385.556 3.549 20 30 GHEDLO C=C[C@H](CC(=O)OC(C)(C)C)Oc1n[nH]c2c1CC[N@H+](Cc1ccccc1)C2 ZINC001226704833 1032082742 /nfs/dbraw/zinc/08/27/42/1032082742.db2.gz OJKVTAGISIDEEO-QGZVFWFLSA-N 1 2 383.492 3.633 20 30 GHEDLO C=C[C@H](CC(=O)OC(C)(C)C)Oc1n[nH]c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001226704833 1032082758 /nfs/dbraw/zinc/08/27/58/1032082758.db2.gz OJKVTAGISIDEEO-QGZVFWFLSA-N 1 2 383.492 3.633 20 30 GHEDLO C=CCOC[C@@H]1C[N@@H+](Cc2c(C)[nH]c3ccccc32)Cc2nnn(CC3CC3)c21 ZINC001204291117 1032732847 /nfs/dbraw/zinc/73/28/47/1032732847.db2.gz XAQUYARTCXVGMK-SFHVURJKSA-N 1 2 391.519 3.780 20 30 GHEDLO C=CCOC[C@@H]1C[N@H+](Cc2c(C)[nH]c3ccccc32)Cc2nnn(CC3CC3)c21 ZINC001204291117 1032732862 /nfs/dbraw/zinc/73/28/62/1032732862.db2.gz XAQUYARTCXVGMK-SFHVURJKSA-N 1 2 391.519 3.780 20 30 GHEDLO CSCC1CC[NH+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000932591349 1018500663 /nfs/dbraw/zinc/50/06/63/1018500663.db2.gz NTJICODIDZEXIV-HNNXBMFYSA-N 1 2 377.579 3.952 20 30 GHEDLO Fc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)nc1 ZINC000932945506 1018776253 /nfs/dbraw/zinc/77/62/53/1018776253.db2.gz YRGMRECIBAYDHW-AOOOYVTPSA-N 1 2 378.238 3.824 20 30 GHEDLO Fc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)nc1 ZINC000932945506 1018776261 /nfs/dbraw/zinc/77/62/61/1018776261.db2.gz YRGMRECIBAYDHW-AOOOYVTPSA-N 1 2 378.238 3.824 20 30 GHEDLO CCCCOc1ccc(-c2nnc(C[NH+]3CCC4(CC3)CC(=O)C=CO4)o2)cc1 ZINC000933653860 1018879949 /nfs/dbraw/zinc/87/99/49/1018879949.db2.gz YWMBAYRKTRGGMV-UHFFFAOYSA-N 1 2 397.475 3.753 20 30 GHEDLO CCC[N@H+](Cc1ccccc1C#N)[C@@H](C)C(=O)Nc1c(C)csc1C(=O)OC ZINC001204369790 1032810383 /nfs/dbraw/zinc/81/03/83/1032810383.db2.gz CZUSLOMQBKTQNJ-HNNXBMFYSA-N 1 2 399.516 3.954 20 30 GHEDLO CCC[N@@H+](Cc1ccccc1C#N)[C@@H](C)C(=O)Nc1c(C)csc1C(=O)OC ZINC001204369790 1032810399 /nfs/dbraw/zinc/81/03/99/1032810399.db2.gz CZUSLOMQBKTQNJ-HNNXBMFYSA-N 1 2 399.516 3.954 20 30 GHEDLO Cc1ncsc1C[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000565767296 1019204946 /nfs/dbraw/zinc/20/49/46/1019204946.db2.gz NCNJLXRQJJVSBA-INIZCTEOSA-N 1 2 391.338 3.597 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)NCC2CCC(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000566894399 1019260736 /nfs/dbraw/zinc/26/07/36/1019260736.db2.gz RXUITQNIGUADLK-IJWHBOBBSA-N 1 2 392.906 3.853 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)NCC2CCC(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000566894399 1019260744 /nfs/dbraw/zinc/26/07/44/1019260744.db2.gz RXUITQNIGUADLK-IJWHBOBBSA-N 1 2 392.906 3.853 20 30 GHEDLO N#CC[C@@H](CC(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1)c1ccccc1 ZINC000600678723 1020209190 /nfs/dbraw/zinc/20/91/90/1020209190.db2.gz TXSCRMBPUVLFEY-FQEVSTJZSA-N 1 2 386.499 3.900 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@@]12CCC[N@H+](Cc1cc(F)c(C#N)c(F)c1)C2 ZINC001140752809 1022434757 /nfs/dbraw/zinc/43/47/57/1022434757.db2.gz OOGAIBNRBQDVEQ-HXUWFJFHSA-N 1 2 377.435 3.812 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@@]12CCC[N@@H+](Cc1cc(F)c(C#N)c(F)c1)C2 ZINC001140752809 1022434762 /nfs/dbraw/zinc/43/47/62/1022434762.db2.gz OOGAIBNRBQDVEQ-HXUWFJFHSA-N 1 2 377.435 3.812 20 30 GHEDLO CC[C@H]([NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)c1nc(C)cs1 ZINC000754321876 1022619326 /nfs/dbraw/zinc/61/93/26/1022619326.db2.gz DCWMHZUALMHKMS-CABCVRRESA-N 1 2 377.473 3.730 20 30 GHEDLO COC(=O)[C@H]1CC[N@H+](Cc2sc(N)c(C#N)c2Cl)[C@@H](c2ccccc2)C1 ZINC001141113056 1023529490 /nfs/dbraw/zinc/52/94/90/1023529490.db2.gz AXIRCVOWBAARPL-DZGCQCFKSA-N 1 2 389.908 3.982 20 30 GHEDLO COC(=O)[C@H]1CC[N@@H+](Cc2sc(N)c(C#N)c2Cl)[C@@H](c2ccccc2)C1 ZINC001141113056 1023529496 /nfs/dbraw/zinc/52/94/96/1023529496.db2.gz AXIRCVOWBAARPL-DZGCQCFKSA-N 1 2 389.908 3.982 20 30 GHEDLO C#CC[C@H](NC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)c1ccccc1 ZINC000757059010 1023923362 /nfs/dbraw/zinc/92/33/62/1023923362.db2.gz MFALUTKUZSZBIX-FQEVSTJZSA-N 1 2 391.519 3.505 20 30 GHEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2ccc(Br)c(OCC)c2)C1=O ZINC001277348134 1033222377 /nfs/dbraw/zinc/22/23/77/1033222377.db2.gz YYKIQNWUAJSKKB-LJQANCHMSA-N 1 2 393.325 3.601 20 30 GHEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(Br)c(OCC)c2)C1=O ZINC001277348134 1033222392 /nfs/dbraw/zinc/22/23/92/1033222392.db2.gz YYKIQNWUAJSKKB-LJQANCHMSA-N 1 2 393.325 3.601 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(N(CC)CC)cc1OC ZINC001138389334 1024764064 /nfs/dbraw/zinc/76/40/64/1024764064.db2.gz MHVGUKUGLRIMCP-NRFANRHFSA-N 1 2 398.551 3.577 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(N(CC)CC)cc1OC ZINC001138389334 1024764074 /nfs/dbraw/zinc/76/40/74/1024764074.db2.gz MHVGUKUGLRIMCP-NRFANRHFSA-N 1 2 398.551 3.577 20 30 GHEDLO CCOC(=O)c1cc(C#N)c(Cl)nc1N(C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001156782801 1033238243 /nfs/dbraw/zinc/23/82/43/1033238243.db2.gz FLYLWRVMABJIPJ-UHFFFAOYSA-N 1 2 395.850 3.605 20 30 GHEDLO N#Cc1ccnnc1N1CC[NH+]([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC001162384387 1025730661 /nfs/dbraw/zinc/73/06/61/1025730661.db2.gz KYXTYNZRZIUMLJ-NRFANRHFSA-N 1 2 389.890 3.913 20 30 GHEDLO N#Cc1cccc2c(C[N@@H+]3CCc4onc(COc5ccccn5)c4C3)c[nH]c21 ZINC001139705480 1026551416 /nfs/dbraw/zinc/55/14/16/1026551416.db2.gz RXHOYSYCRWRIJQ-UHFFFAOYSA-N 1 2 385.427 3.560 20 30 GHEDLO N#Cc1cccc2c(C[N@H+]3CCc4onc(COc5ccccn5)c4C3)c[nH]c21 ZINC001139705480 1026551421 /nfs/dbraw/zinc/55/14/21/1026551421.db2.gz RXHOYSYCRWRIJQ-UHFFFAOYSA-N 1 2 385.427 3.560 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCO[C@]3(CCC[C@H]3COCc3ccccn3)C2)c(F)c1 ZINC001140138422 1026913197 /nfs/dbraw/zinc/91/31/97/1026913197.db2.gz IVEWRLSTBHRGNR-NZQKXSOJSA-N 1 2 395.478 3.680 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCO[C@]3(CCC[C@H]3COCc3ccccn3)C2)c(F)c1 ZINC001140138422 1026913198 /nfs/dbraw/zinc/91/31/98/1026913198.db2.gz IVEWRLSTBHRGNR-NZQKXSOJSA-N 1 2 395.478 3.680 20 30 GHEDLO CC(C)(C)OC(=O)NC1CCN(c2ccc(Nc3cncc(C#N)c3)c[nH+]2)CC1 ZINC001210084829 1027337295 /nfs/dbraw/zinc/33/72/95/1027337295.db2.gz YHYDKQFKYQDSKM-UHFFFAOYSA-N 1 2 394.479 3.585 20 30 GHEDLO Cc1coc(Nc2c[nH+]c(N3CCN(C(=O)OC(C)(C)C)CC3)c(C)c2)c1C#N ZINC001203550379 1027428370 /nfs/dbraw/zinc/42/83/70/1027428370.db2.gz AXAQAVFAEMRNAF-UHFFFAOYSA-N 1 2 397.479 3.964 20 30 GHEDLO C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC001142221982 1028410486 /nfs/dbraw/zinc/41/04/86/1028410486.db2.gz LDCFJYAHMOXCNB-SJORKVTESA-N 1 2 392.544 3.664 20 30 GHEDLO N#Cc1ccc(Oc2cccc(NC(=O)NCc3ccn4cc[nH+]c4c3)c2)nc1 ZINC001215438953 1029208457 /nfs/dbraw/zinc/20/84/57/1029208457.db2.gz XVKDTFQFOBVXSD-UHFFFAOYSA-N 1 2 384.399 3.715 20 30 GHEDLO CC(C)(C)OC(=O)N1C[C@H]2CC[N@H+](Cc3c(F)ccc(C#N)c3F)C[C@@H]2C1 ZINC001143166032 1029877707 /nfs/dbraw/zinc/87/77/07/1029877707.db2.gz BSNQHBRHRDQJGC-HUUCEWRRSA-N 1 2 377.435 3.525 20 30 GHEDLO CC(C)(C)OC(=O)N1C[C@H]2CC[N@@H+](Cc3c(F)ccc(C#N)c3F)C[C@@H]2C1 ZINC001143166032 1029877715 /nfs/dbraw/zinc/87/77/15/1029877715.db2.gz BSNQHBRHRDQJGC-HUUCEWRRSA-N 1 2 377.435 3.525 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3c(F)ccc(C#N)c3F)CC[C@@H]21 ZINC001143166984 1029877881 /nfs/dbraw/zinc/87/78/81/1029877881.db2.gz OFCBGHMPEOCOGS-PBHICJAKSA-N 1 2 377.435 3.668 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3c(F)ccc(C#N)c3F)CC[C@@H]21 ZINC001143166984 1029877888 /nfs/dbraw/zinc/87/78/88/1029877888.db2.gz OFCBGHMPEOCOGS-PBHICJAKSA-N 1 2 377.435 3.668 20 30 GHEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H]3O[C@@H](COCc4cccnc4)CC[C@H]32)c1F ZINC001143169112 1029879240 /nfs/dbraw/zinc/87/92/40/1029879240.db2.gz ACSFDBSWXHMRMO-DUXKGJEZSA-N 1 2 399.441 3.570 20 30 GHEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H]3O[C@@H](COCc4cccnc4)CC[C@H]32)c1F ZINC001143169112 1029879245 /nfs/dbraw/zinc/87/92/45/1029879245.db2.gz ACSFDBSWXHMRMO-DUXKGJEZSA-N 1 2 399.441 3.570 20 30 GHEDLO Cc1cc(Cl)nc(NCCSCc2csc(C[NH+](C)C)n2)c1C#N ZINC001157332832 1033539242 /nfs/dbraw/zinc/53/92/42/1033539242.db2.gz KDMUEZGITGRQOV-UHFFFAOYSA-N 1 2 381.958 3.779 20 30 GHEDLO N#Cc1cc(O[C@@H]2CCC[N@H+](Cc3cnc(Cl)s3)C2)ccc1[N+](=O)[O-] ZINC001229528019 1033540166 /nfs/dbraw/zinc/54/01/66/1033540166.db2.gz UEHKGXIGLYWNQW-CYBMUJFWSA-N 1 2 378.841 3.620 20 30 GHEDLO N#Cc1cc(O[C@@H]2CCC[N@@H+](Cc3cnc(Cl)s3)C2)ccc1[N+](=O)[O-] ZINC001229528019 1033540177 /nfs/dbraw/zinc/54/01/77/1033540177.db2.gz UEHKGXIGLYWNQW-CYBMUJFWSA-N 1 2 378.841 3.620 20 30 GHEDLO COc1cc(C[N@@H+]2CCC[C@H](C#N)CC2)c(Br)cc1OC(C)=O ZINC001231688133 1034837131 /nfs/dbraw/zinc/83/71/31/1034837131.db2.gz JVTOSMDCGHIPBX-ZDUSSCGKSA-N 1 2 381.270 3.509 20 30 GHEDLO COc1cc(C[N@H+]2CCC[C@H](C#N)CC2)c(Br)cc1OC(C)=O ZINC001231688133 1034837136 /nfs/dbraw/zinc/83/71/36/1034837136.db2.gz JVTOSMDCGHIPBX-ZDUSSCGKSA-N 1 2 381.270 3.509 20 30 GHEDLO Cc1ccc(S(=O)(=O)N2CCCC2)cc1-c1ccc(/[NH+]=C/N(C)C)c(C#N)c1 ZINC001241946874 1035755830 /nfs/dbraw/zinc/75/58/30/1035755830.db2.gz KAOFUHYBDAGRQD-HZHRSRAPSA-N 1 2 396.516 3.540 20 30 GHEDLO Cc1cc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)cc(C)c1Br ZINC001232520567 1038283200 /nfs/dbraw/zinc/28/32/00/1038283200.db2.gz IMSYEWLBJHMHMH-UHFFFAOYSA-N 1 2 385.309 3.655 20 30 GHEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@]2(C[C@@H](Oc3ccccn3)CO2)C1 ZINC001232607874 1038393255 /nfs/dbraw/zinc/39/32/55/1038393255.db2.gz ZFZQBZZOZFPPGM-TZIWHRDSSA-N 1 2 383.879 3.809 20 30 GHEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@]2(C[C@@H](Oc3ccccn3)CO2)C1 ZINC001232607874 1038393268 /nfs/dbraw/zinc/39/32/68/1038393268.db2.gz ZFZQBZZOZFPPGM-TZIWHRDSSA-N 1 2 383.879 3.809 20 30 GHEDLO Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1C[N@H+](Cc3cc(C#N)ccc3O)C[C@H]21 ZINC001232676133 1038473958 /nfs/dbraw/zinc/47/39/58/1038473958.db2.gz ZTSJYYBQQNBEOI-APWZRJJASA-N 1 2 388.446 3.575 20 30 GHEDLO Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1C[N@@H+](Cc3cc(C#N)ccc3O)C[C@H]21 ZINC001232676133 1038474008 /nfs/dbraw/zinc/47/40/08/1038474008.db2.gz ZTSJYYBQQNBEOI-APWZRJJASA-N 1 2 388.446 3.575 20 30 GHEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC001232891836 1038680805 /nfs/dbraw/zinc/68/08/05/1038680805.db2.gz UJPGOBUWUZUIDW-IRLDBZIGSA-N 1 2 381.451 3.542 20 30 GHEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC001232891836 1038680809 /nfs/dbraw/zinc/68/08/09/1038680809.db2.gz UJPGOBUWUZUIDW-IRLDBZIGSA-N 1 2 381.451 3.542 20 30 GHEDLO CN(C)c1ccc(C[NH+]2CCC(C(=O)c3ccccc3F)CC2)c(F)c1C#N ZINC001233103114 1038886122 /nfs/dbraw/zinc/88/61/22/1038886122.db2.gz XDCYEXFHGWBTFN-UHFFFAOYSA-N 1 2 383.442 3.997 20 30 GHEDLO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3c(F)ccc(O)c3F)CC2)C1 ZINC001233393415 1039224252 /nfs/dbraw/zinc/22/42/52/1039224252.db2.gz SWOSNFQONCVUNU-UHFFFAOYSA-N 1 2 380.435 3.671 20 30 GHEDLO CC1=CC(=O)C[C@H](c2ccc(OC[C@H]3C[N@H+](Cc4ccccc4)CCO3)cc2)O1 ZINC001234161376 1039900356 /nfs/dbraw/zinc/90/03/56/1039900356.db2.gz XKAUQQOERYAWNU-DNQXCXABSA-N 1 2 393.483 3.901 20 30 GHEDLO CC1=CC(=O)C[C@H](c2ccc(OC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)cc2)O1 ZINC001234161376 1039900359 /nfs/dbraw/zinc/90/03/59/1039900359.db2.gz XKAUQQOERYAWNU-DNQXCXABSA-N 1 2 393.483 3.901 20 30 GHEDLO CC[C@@H](C)N1CC[C@@]2(CCC[N@@H+]2Cc2ccc(C#N)c(Br)c2)C1=O ZINC001277867723 1040152599 /nfs/dbraw/zinc/15/25/99/1040152599.db2.gz MRSUYIPAPOKWGS-KUHUBIRLSA-N 1 2 390.325 3.686 20 30 GHEDLO CC[C@@H](C)N1CC[C@@]2(CCC[N@H+]2Cc2ccc(C#N)c(Br)c2)C1=O ZINC001277867723 1040152606 /nfs/dbraw/zinc/15/26/06/1040152606.db2.gz MRSUYIPAPOKWGS-KUHUBIRLSA-N 1 2 390.325 3.686 20 30 GHEDLO COC(=O)[C@H](Cc1ccc(C)cn1)[NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254351045 1040184551 /nfs/dbraw/zinc/18/45/51/1040184551.db2.gz DPDNIVBQCBSIGU-SWCONJRYSA-N 1 2 395.478 3.607 20 30 GHEDLO Cn1cc(C[NH+]2CCN(C(=O)c3ccc(Cl)cc3)CC2)c2cc(C#N)ccc21 ZINC001237472361 1042222950 /nfs/dbraw/zinc/22/29/50/1042222950.db2.gz GRWIWGPCIXUOKF-UHFFFAOYSA-N 1 2 392.890 3.661 20 30 GHEDLO N#Cc1cc(C[NH+]2CCC3(CCCN3C(=O)c3ccco3)CC2)c(F)cc1F ZINC001237528054 1042252877 /nfs/dbraw/zinc/25/28/77/1042252877.db2.gz PRSFRRHCRODHRY-UHFFFAOYSA-N 1 2 385.414 3.700 20 30 GHEDLO COc1cccc(C[NH+]2CCN(c3cccc(C#N)c3)CC2)c1Br ZINC001237870426 1042403311 /nfs/dbraw/zinc/40/33/11/1042403311.db2.gz ZXVJXAUWKJZCOY-UHFFFAOYSA-N 1 2 386.293 3.652 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(-c4ncccn4)cc3)CC2)c(Cl)c1 ZINC001238089050 1042487964 /nfs/dbraw/zinc/48/79/64/1042487964.db2.gz OQGCDYVUZKXOOE-UHFFFAOYSA-N 1 2 389.890 3.991 20 30 GHEDLO Cn1c2ccccc2n(C2CC[NH+](Cc3ccc(Cl)c(C#N)c3)CC2)c1=O ZINC001238190980 1042514472 /nfs/dbraw/zinc/51/44/72/1042514472.db2.gz HQJRKTWAZPSCFR-UHFFFAOYSA-N 1 2 380.879 3.702 20 30 GHEDLO Cc1cc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c(C)cc1Br ZINC001238281471 1042539952 /nfs/dbraw/zinc/53/99/52/1042539952.db2.gz KLONNSLYYOPWHI-UHFFFAOYSA-N 1 2 385.309 3.655 20 30 GHEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cccnc2OCc2ccccc2)C1 ZINC001238781803 1042725384 /nfs/dbraw/zinc/72/53/84/1042725384.db2.gz OCODJNIVKWOZMF-HXUWFJFHSA-N 1 2 381.476 3.537 20 30 GHEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cccnc2OCc2ccccc2)C1 ZINC001238781803 1042725389 /nfs/dbraw/zinc/72/53/89/1042725389.db2.gz OCODJNIVKWOZMF-HXUWFJFHSA-N 1 2 381.476 3.537 20 30 GHEDLO CCCCCCCCCCCCNC(=S)N1CC[NH2+]C[C@@H]1C(=O)OCC ZINC001239417647 1042824908 /nfs/dbraw/zinc/82/49/08/1042824908.db2.gz ONMJODZIBJDZMA-GOSISDBHSA-N 1 2 385.618 3.619 20 30 GHEDLO Cc1ccc(C(=O)/C=C\C(=O)Nc2ccccc2C[NH+]2CCSCC2)cc1 ZINC001292330665 1043688246 /nfs/dbraw/zinc/68/82/46/1043688246.db2.gz PCQXWXPOTSBMBK-KHPPLWFESA-N 1 2 380.513 3.921 20 30 GHEDLO C=CCCCCn1c(C(C)C)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001301173998 1046387247 /nfs/dbraw/zinc/38/72/47/1046387247.db2.gz MOSMEPNKWJBWDU-UHFFFAOYSA-N 1 2 388.585 3.845 20 30 GHEDLO Cn1c([C@H]2CCCC[N@@H+]2Cc2ccccc2)nnc1N1Cc2ccc(C#N)cc2C1 ZINC001262885121 1046401338 /nfs/dbraw/zinc/40/13/38/1046401338.db2.gz JXEDWXSYRFXYMC-JOCHJYFZSA-N 1 2 398.514 3.934 20 30 GHEDLO Cn1c([C@H]2CCCC[N@H+]2Cc2ccccc2)nnc1N1Cc2ccc(C#N)cc2C1 ZINC001262885121 1046401346 /nfs/dbraw/zinc/40/13/46/1046401346.db2.gz JXEDWXSYRFXYMC-JOCHJYFZSA-N 1 2 398.514 3.934 20 30 GHEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCC[C@H]1c1ccsc1 ZINC001262939363 1046437250 /nfs/dbraw/zinc/43/72/50/1046437250.db2.gz DDAVFVFPIUNDSK-QYZOEREBSA-N 1 2 399.564 3.793 20 30 GHEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCC[C@H]1c1ccsc1 ZINC001262939363 1046437256 /nfs/dbraw/zinc/43/72/56/1046437256.db2.gz DDAVFVFPIUNDSK-QYZOEREBSA-N 1 2 399.564 3.793 20 30 GHEDLO C=CCN(C)c1nnc(CC2CCCC2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001301305748 1046467585 /nfs/dbraw/zinc/46/75/85/1046467585.db2.gz NJVGAEPLZNKZBG-UHFFFAOYSA-N 1 2 376.508 3.867 20 30 GHEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@@H]2CCC[C@@H]21 ZINC001263302171 1046700869 /nfs/dbraw/zinc/70/08/69/1046700869.db2.gz IRURJYQHDWNYBA-ICSRJNTNSA-N 1 2 382.556 3.716 20 30 GHEDLO C=C1CCN(c2nnc([C@H]3CCCOC3)n2CCCc2cccc(C)[nH+]2)CC1 ZINC001286646036 1048412484 /nfs/dbraw/zinc/41/24/84/1048412484.db2.gz KMXMMXVFXNCEJC-IBGZPJMESA-N 1 2 381.524 3.665 20 30 GHEDLO CCC#C[C@H](C)[NH+]1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC001307437187 1049273465 /nfs/dbraw/zinc/27/34/65/1049273465.db2.gz CHLVDUYRAOFTGR-FQEVSTJZSA-N 1 2 376.500 3.825 20 30 GHEDLO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCCC[C@H]1COC(=O)N1CCCC1 ZINC001307758291 1049572508 /nfs/dbraw/zinc/57/25/08/1049572508.db2.gz XZTBRVZUDHGXJI-SFHVURJKSA-N 1 2 391.899 3.829 20 30 GHEDLO N#CCOc1ccc(Cl)cc1C[N@H+]1CCCC[C@H]1COC(=O)N1CCCC1 ZINC001307758291 1049572521 /nfs/dbraw/zinc/57/25/21/1049572521.db2.gz XZTBRVZUDHGXJI-SFHVURJKSA-N 1 2 391.899 3.829 20 30 GHEDLO N#Cc1csc(C[NH2+]C[C@](O)(c2cccc(C(F)(F)F)c2)C(F)(F)F)n1 ZINC001308558703 1050008758 /nfs/dbraw/zinc/00/87/58/1050008758.db2.gz NRWGXCVRNYYKLR-ZDUSSCGKSA-N 1 2 395.328 3.573 20 30 GHEDLO C#CCOc1cc(F)ccc1NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001310374510 1051316419 /nfs/dbraw/zinc/31/64/19/1051316419.db2.gz RXZWKMBAPUFTQM-LJQANCHMSA-N 1 2 378.407 3.597 20 30 GHEDLO N#Cc1cccc(NC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)n1 ZINC001310924098 1051708483 /nfs/dbraw/zinc/70/84/83/1051708483.db2.gz UINNLGNJQPTKQD-UHFFFAOYSA-N 1 2 380.839 3.537 20 30 GHEDLO CN(CCC#N)c1ccc(C[NH2+][C@H](c2nccn2C)c2ccc(F)c(F)c2)cc1 ZINC001333895937 1051864260 /nfs/dbraw/zinc/86/42/60/1051864260.db2.gz QDHUPHYVYYCQJS-NRFANRHFSA-N 1 2 395.457 3.927 20 30 GHEDLO C[N@@H+]1CCCC[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CCc1ccccc1 ZINC001342399830 1053148013 /nfs/dbraw/zinc/14/80/13/1053148013.db2.gz WOHAWPSVGHBLTN-HXUWFJFHSA-N 1 2 392.551 3.808 20 30 GHEDLO C[N@H+]1CCCC[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CCc1ccccc1 ZINC001342399830 1053148019 /nfs/dbraw/zinc/14/80/19/1053148019.db2.gz WOHAWPSVGHBLTN-HXUWFJFHSA-N 1 2 392.551 3.808 20 30 GHEDLO C=C(C)CN(CC)c1nnc([C@H]2C[N@@H+](C(C)C)CCO2)n1Cc1cccs1 ZINC001343650759 1053948651 /nfs/dbraw/zinc/94/86/51/1053948651.db2.gz IZMUIFBSGBQIDU-GOSISDBHSA-N 1 2 389.569 3.572 20 30 GHEDLO C=C(C)CN(CC)c1nnc([C@H]2C[N@H+](C(C)C)CCO2)n1Cc1cccs1 ZINC001343650759 1053948655 /nfs/dbraw/zinc/94/86/55/1053948655.db2.gz IZMUIFBSGBQIDU-GOSISDBHSA-N 1 2 389.569 3.572 20 30 GHEDLO C[N@@H+]1CCCC[C@H]1c1nnc(N2CCC(CC#N)CC2)n1Cc1ccccc1 ZINC001343720934 1053985382 /nfs/dbraw/zinc/98/53/82/1053985382.db2.gz AHNXNIDTRODGJW-FQEVSTJZSA-N 1 2 378.524 3.613 20 30 GHEDLO C[N@H+]1CCCC[C@H]1c1nnc(N2CCC(CC#N)CC2)n1Cc1ccccc1 ZINC001343720934 1053985388 /nfs/dbraw/zinc/98/53/88/1053985388.db2.gz AHNXNIDTRODGJW-FQEVSTJZSA-N 1 2 378.524 3.613 20 30 GHEDLO C=C(C)CN(C)c1nnc([C@H](C)[N@H+](C)Cc2ccccc2)n1C[C@@H]1CCOC1 ZINC001344430577 1054458716 /nfs/dbraw/zinc/45/87/16/1054458716.db2.gz CWNCECUGFUGVMX-ICSRJNTNSA-N 1 2 383.540 3.520 20 30 GHEDLO C=C(C)CN(C)c1nnc([C@H](C)[N@@H+](C)Cc2ccccc2)n1C[C@@H]1CCOC1 ZINC001344430577 1054458754 /nfs/dbraw/zinc/45/87/54/1054458754.db2.gz CWNCECUGFUGVMX-ICSRJNTNSA-N 1 2 383.540 3.520 20 30 GHEDLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(C(=O)Nc2ccc(OCC#N)cc2)C1 ZINC001344545374 1054554718 /nfs/dbraw/zinc/55/47/18/1054554718.db2.gz ZDUOWPBNIODJAJ-MRXNPFEDSA-N 1 2 381.480 3.952 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)Nc2ccc(OCC#N)cc2)C[C@H](C)O1 ZINC001318472099 1054662448 /nfs/dbraw/zinc/66/24/48/1054662448.db2.gz BKJVSOQZUMDRSI-CALCHBBNSA-N 1 2 394.475 3.842 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)Nc2ccc(OCC#N)cc2)C[C@H](C)O1 ZINC001318472099 1054662459 /nfs/dbraw/zinc/66/24/59/1054662459.db2.gz BKJVSOQZUMDRSI-CALCHBBNSA-N 1 2 394.475 3.842 20 30 GHEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)Nc2ccc(OCC#N)cc2)C[C@@H](C)O1 ZINC001318472109 1054662572 /nfs/dbraw/zinc/66/25/72/1054662572.db2.gz BKJVSOQZUMDRSI-IAGOWNOFSA-N 1 2 394.475 3.842 20 30 GHEDLO N#CCOc1cccc(CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)c1 ZINC001319515485 1055299807 /nfs/dbraw/zinc/29/98/07/1055299807.db2.gz MAAUJVUHZGRPON-UHFFFAOYSA-N 1 2 399.454 3.826 20 30 GHEDLO COc1ccccc1-c1nnc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)o1 ZINC001321086271 1056088083 /nfs/dbraw/zinc/08/80/83/1056088083.db2.gz XCAAFWLXXSOOOY-UHFFFAOYSA-N 1 2 390.443 3.660 20 30 GHEDLO CCCCCCCCCCCCNC(=S)N1CC[N@H+](C)C[C@@H]1C(=O)OC ZINC001200503448 1056145774 /nfs/dbraw/zinc/14/57/74/1056145774.db2.gz DJKXOILFSBCUES-GOSISDBHSA-N 1 2 385.618 3.571 20 30 GHEDLO CCCCCCCCCCCCNC(=S)N1CC[N@@H+](C)C[C@@H]1C(=O)OC ZINC001200503448 1056145779 /nfs/dbraw/zinc/14/57/79/1056145779.db2.gz DJKXOILFSBCUES-GOSISDBHSA-N 1 2 385.618 3.571 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(C)(C)CC)CC1 ZINC001300701192 1056913300 /nfs/dbraw/zinc/91/33/00/1056913300.db2.gz JRBLNTUCQIYYRX-UHFFFAOYSA-N 1 2 399.970 3.714 20 30 GHEDLO C[C@H](OC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)c1cccc(C#N)c1 ZINC001355925835 1057319124 /nfs/dbraw/zinc/31/91/24/1057319124.db2.gz NDOWTGHNFJTVMM-INIZCTEOSA-N 1 2 388.427 3.702 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@H]1c1cccc(F)c1 ZINC001339502662 1059260323 /nfs/dbraw/zinc/26/03/23/1059260323.db2.gz VOTHTIVJZIPLIK-FQEVSTJZSA-N 1 2 396.514 3.872 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@@H]1c1cccc(F)c1 ZINC001339502663 1059260919 /nfs/dbraw/zinc/26/09/19/1059260919.db2.gz VOTHTIVJZIPLIK-HXUWFJFHSA-N 1 2 396.514 3.872 20 30 GHEDLO O=C(CC#Cc1ccccc1)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC001340379872 1059901867 /nfs/dbraw/zinc/90/18/67/1059901867.db2.gz ZEGXGPCJDWFEGF-UHFFFAOYSA-N 1 2 383.455 3.703 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@@]1(C)c1ccccc1 ZINC001341036167 1060346837 /nfs/dbraw/zinc/34/68/37/1060346837.db2.gz OEEFDYJCDVEKEG-QHCPKHFHSA-N 1 2 392.551 3.907 20 30 GHEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC(c2ccsc2)CC1 ZINC001341755154 1060863545 /nfs/dbraw/zinc/86/35/45/1060863545.db2.gz CKUVEAARWOEDBE-UHFFFAOYSA-N 1 2 382.537 3.624 20 30 GHEDLO N#C[C@H](C(=O)c1cccc(C[NH+]2CCCCC2)c1)c1nc(N)c2ccccc2n1 ZINC001341831882 1060914770 /nfs/dbraw/zinc/91/47/70/1060914770.db2.gz DRTRPMHKSURGNO-LJQANCHMSA-N 1 2 385.471 3.688 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@H](COCC)C1 ZINC001342004925 1060992094 /nfs/dbraw/zinc/99/20/94/1060992094.db2.gz RURABFXFUKGUKG-FPOVZHCZSA-N 1 2 397.567 3.910 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@H](COCC)C1 ZINC001342004925 1060992100 /nfs/dbraw/zinc/99/21/00/1060992100.db2.gz RURABFXFUKGUKG-FPOVZHCZSA-N 1 2 397.567 3.910 20 30 GHEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1Cc2ccccc2[C@@H]1CC ZINC001342018203 1060997758 /nfs/dbraw/zinc/99/77/58/1060997758.db2.gz BJTJPNCVJVKZDC-PMACEKPBSA-N 1 2 381.524 3.717 20 30 GHEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1Cc2ccccc2[C@@H]1CC ZINC001342018203 1060997765 /nfs/dbraw/zinc/99/77/65/1060997765.db2.gz BJTJPNCVJVKZDC-PMACEKPBSA-N 1 2 381.524 3.717 20 30 GHEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1Cc2ccccc2[C@H]1CC ZINC001342018207 1060997874 /nfs/dbraw/zinc/99/78/74/1060997874.db2.gz BJTJPNCVJVKZDC-UXHICEINSA-N 1 2 381.524 3.717 20 30 GHEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1Cc2ccccc2[C@H]1CC ZINC001342018207 1060997875 /nfs/dbraw/zinc/99/78/75/1060997875.db2.gz BJTJPNCVJVKZDC-UXHICEINSA-N 1 2 381.524 3.717 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC001346188082 1061436930 /nfs/dbraw/zinc/43/69/30/1061436930.db2.gz PXFIIMYWOOEKBF-NJAFHUGGSA-N 1 2 387.553 3.649 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC001346188082 1061436937 /nfs/dbraw/zinc/43/69/37/1061436937.db2.gz PXFIIMYWOOEKBF-NJAFHUGGSA-N 1 2 387.553 3.649 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC(OCC)CC1 ZINC001346218753 1061455482 /nfs/dbraw/zinc/45/54/82/1061455482.db2.gz CFLDKWDERDTXHY-LJQANCHMSA-N 1 2 386.544 3.692 20 30 GHEDLO C[C@@H]1CCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CC2CC2)CC12CCC2 ZINC001346602739 1061722063 /nfs/dbraw/zinc/72/20/63/1061722063.db2.gz QRSYGMQIGMGABI-GOSISDBHSA-N 1 2 396.583 3.798 20 30 GHEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N(C)[C@@H](C)c1ccco1 ZINC001346646650 1061760982 /nfs/dbraw/zinc/76/09/82/1061760982.db2.gz JOROYYXGPVIUPS-LNLFQRSKSA-N 1 2 385.512 3.570 20 30 GHEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N(C)[C@@H](C)c1ccco1 ZINC001346646650 1061761006 /nfs/dbraw/zinc/76/10/06/1061761006.db2.gz JOROYYXGPVIUPS-LNLFQRSKSA-N 1 2 385.512 3.570 20 30 GHEDLO CCOc1ccc2c(c1)C[N@H+]([C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)CC2 ZINC001459364014 1064076251 /nfs/dbraw/zinc/07/62/51/1064076251.db2.gz JPELIVSMELBTSJ-FRIYVGAWSA-N 1 2 383.536 3.763 20 30 GHEDLO CCOc1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)CC2 ZINC001459364014 1064076259 /nfs/dbraw/zinc/07/62/59/1064076259.db2.gz JPELIVSMELBTSJ-FRIYVGAWSA-N 1 2 383.536 3.763 20 30 GHEDLO C=CC[N@@H+](C)CC(=O)Nc1scc(-c2ccccc2Cl)c1C(=O)OC ZINC001459983373 1064319201 /nfs/dbraw/zinc/31/92/01/1064319201.db2.gz LMWAACWJCNIONR-UHFFFAOYSA-N 1 2 378.881 3.911 20 30 GHEDLO C=CC[N@H+](C)CC(=O)Nc1scc(-c2ccccc2Cl)c1C(=O)OC ZINC001459983373 1064319215 /nfs/dbraw/zinc/31/92/15/1064319215.db2.gz LMWAACWJCNIONR-UHFFFAOYSA-N 1 2 378.881 3.911 20 30 GHEDLO C#CCC[NH+]1CCN(C(=O)c2cc(-c3cccc(C(F)(F)F)c3)ccn2)CC1 ZINC001464612377 1065110432 /nfs/dbraw/zinc/11/04/32/1065110432.db2.gz PUIYZZWNCXGVRV-UHFFFAOYSA-N 1 2 387.405 3.549 20 30 GHEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3[nH]c4ccccc4c3C#N)CC2)c1 ZINC001464998729 1065317925 /nfs/dbraw/zinc/31/79/25/1065317925.db2.gz NTNOEDVKHIZHPC-INIZCTEOSA-N 1 2 388.471 3.567 20 30 GHEDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2ccc(Sc3ccccc3C#N)cc2)CCO1 ZINC001466569075 1066195591 /nfs/dbraw/zinc/19/55/91/1066195591.db2.gz DPSMBSFYTGISFQ-MRXNPFEDSA-N 1 2 396.516 3.552 20 30 GHEDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc(Sc3ccccc3C#N)cc2)CCO1 ZINC001466569075 1066195605 /nfs/dbraw/zinc/19/56/05/1066195605.db2.gz DPSMBSFYTGISFQ-MRXNPFEDSA-N 1 2 396.516 3.552 20 30 GHEDLO C#CCN(CC)c1nnc(-c2ccccc2Cl)n1CCCNc1cccc[nH+]1 ZINC001359005386 1067647267 /nfs/dbraw/zinc/64/72/67/1067647267.db2.gz GQCSZKVVILICLU-UHFFFAOYSA-N 1 2 394.910 3.955 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCCCC2(F)F)CC1 ZINC001359032870 1067659507 /nfs/dbraw/zinc/65/95/07/1067659507.db2.gz GYAUFLKBWXGPMG-LJQANCHMSA-N 1 2 399.489 3.526 20 30 GHEDLO COC(=O)[C@]1([NH2+]CCC(=O)Nc2ccc(C#N)c(Cl)c2)CCCC(C)(C)C1 ZINC001460471523 1068972866 /nfs/dbraw/zinc/97/28/66/1068972866.db2.gz UEJQNFKSPDKUFO-FQEVSTJZSA-N 1 2 391.899 3.642 20 30 GHEDLO CC(C)[C@@H](CNC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1)c1ccccc1 ZINC001460565277 1068997880 /nfs/dbraw/zinc/99/78/80/1068997880.db2.gz DUQNTSCLFFWEFK-HSZRJFAPSA-N 1 2 375.516 3.667 20 30 GHEDLO CC(C)[C@@H](CNC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1)c1ccccc1 ZINC001460565277 1068997883 /nfs/dbraw/zinc/99/78/83/1068997883.db2.gz DUQNTSCLFFWEFK-HSZRJFAPSA-N 1 2 375.516 3.667 20 30 GHEDLO C=CCC1(O)CC[NH+]([C@H](C)C(=O)Nc2nc(-c3ccc(F)cc3)cs2)CC1 ZINC001460803535 1069191191 /nfs/dbraw/zinc/19/11/91/1069191191.db2.gz YQJJMJWXBDGWID-CQSZACIVSA-N 1 2 389.496 3.679 20 30 GHEDLO C=CCC1(O)CC[NH+]([C@@H](C)C(=O)Nc2nc(-c3ccc(F)cc3)cs2)CC1 ZINC001460803531 1069191336 /nfs/dbraw/zinc/19/13/36/1069191336.db2.gz YQJJMJWXBDGWID-AWEZNQCLSA-N 1 2 389.496 3.679 20 30 GHEDLO C[N@H+](CC(=O)NCc1ccc(F)cc1C(F)(F)F)Cc1cc(C#N)cs1 ZINC001460850675 1069220384 /nfs/dbraw/zinc/22/03/84/1069220384.db2.gz QZGSXJAZQWLOGC-UHFFFAOYSA-N 1 2 385.386 3.526 20 30 GHEDLO C[N@@H+](CC(=O)NCc1ccc(F)cc1C(F)(F)F)Cc1cc(C#N)cs1 ZINC001460850675 1069220396 /nfs/dbraw/zinc/22/03/96/1069220396.db2.gz QZGSXJAZQWLOGC-UHFFFAOYSA-N 1 2 385.386 3.526 20 30 GHEDLO C#C[C@H](NC(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@@H]1C)c1ccccc1 ZINC001470663414 1072674971 /nfs/dbraw/zinc/67/49/71/1072674971.db2.gz RQVHHMMPVDRSEV-UGKGYDQZSA-N 1 2 391.515 3.676 20 30 GHEDLO C#C[C@H](NC(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@@H]1C)c1ccccc1 ZINC001470663414 1072674978 /nfs/dbraw/zinc/67/49/78/1072674978.db2.gz RQVHHMMPVDRSEV-UGKGYDQZSA-N 1 2 391.515 3.676 20 30 GHEDLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2ccccc2OCC#N)CC1 ZINC001471707264 1073189596 /nfs/dbraw/zinc/18/95/96/1073189596.db2.gz CCHKWEZUVLBOBO-FQEVSTJZSA-N 1 2 381.451 3.637 20 30 GHEDLO C[C@H](CNc1ncc(C#N)cc1Br)[N@@H+]1CCc2sccc2C1 ZINC001472678498 1073611554 /nfs/dbraw/zinc/61/15/54/1073611554.db2.gz XABYUJHVVNICSH-LLVKDONJSA-N 1 2 377.311 3.636 20 30 GHEDLO C[C@H](CNc1ncc(C#N)cc1Br)[N@H+]1CCc2sccc2C1 ZINC001472678498 1073611560 /nfs/dbraw/zinc/61/15/60/1073611560.db2.gz XABYUJHVVNICSH-LLVKDONJSA-N 1 2 377.311 3.636 20 30 GHEDLO CC(C)[N@H+](CCC#N)Cc1ccc(N2CCC[C@H](C(=O)OC(C)(C)C)C2)o1 ZINC001474337356 1074350936 /nfs/dbraw/zinc/35/09/36/1074350936.db2.gz XNQQWRYDBDFKSM-KRWDZBQOSA-N 1 2 375.513 3.962 20 30 GHEDLO CC(C)[N@@H+](CCC#N)Cc1ccc(N2CCC[C@H](C(=O)OC(C)(C)C)C2)o1 ZINC001474337356 1074350942 /nfs/dbraw/zinc/35/09/42/1074350942.db2.gz XNQQWRYDBDFKSM-KRWDZBQOSA-N 1 2 375.513 3.962 20 30 GHEDLO COC(=O)c1cc(Br)oc1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC001474584550 1074471413 /nfs/dbraw/zinc/47/14/13/1074471413.db2.gz BXEINKQGDNPZBF-OAHLLOKOSA-N 1 2 389.249 3.868 20 30 GHEDLO CC[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001495455966 1079409827 /nfs/dbraw/zinc/40/98/27/1079409827.db2.gz VJHCUSNETLKUEL-HRAATJIYSA-N 1 2 399.518 3.523 20 30 GHEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(NCC2(c3ccccc3)COC2)[nH+]1 ZINC001167292072 837664344 /nfs/dbraw/zinc/66/43/44/837664344.db2.gz LGRKUUSXLIFWAW-FLYHUXJGSA-N 1 2 385.533 3.651 20 30 GHEDLO C[N@H+](Cc1ccc(Br)s1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000176988621 837831823 /nfs/dbraw/zinc/83/18/23/837831823.db2.gz LOVRTYNYJZINNO-LBPRGKRZSA-N 1 2 396.335 3.681 20 30 GHEDLO C[N@@H+](Cc1ccc(Br)s1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000176988621 837831832 /nfs/dbraw/zinc/83/18/32/837831832.db2.gz LOVRTYNYJZINNO-LBPRGKRZSA-N 1 2 396.335 3.681 20 30 GHEDLO C[N@H+](CC(=O)NC(c1ccccc1)c1ccccc1)Cc1cc(C#N)cs1 ZINC000430207904 835111413 /nfs/dbraw/zinc/11/14/13/835111413.db2.gz NROKXOJXFZXQFQ-UHFFFAOYSA-N 1 2 375.497 3.957 20 30 GHEDLO C[N@@H+](CC(=O)NC(c1ccccc1)c1ccccc1)Cc1cc(C#N)cs1 ZINC000430207904 835111419 /nfs/dbraw/zinc/11/14/19/835111419.db2.gz NROKXOJXFZXQFQ-UHFFFAOYSA-N 1 2 375.497 3.957 20 30 GHEDLO COc1cc(C[N@H+](C)CC(=O)Nc2ccccc2SC[C@@H](C)C#N)ccc1O ZINC000471163074 835292304 /nfs/dbraw/zinc/29/23/04/835292304.db2.gz YEEKHAKBGRJVHN-HNNXBMFYSA-N 1 2 399.516 3.723 20 30 GHEDLO COc1cc(C[N@@H+](C)CC(=O)Nc2ccccc2SC[C@@H](C)C#N)ccc1O ZINC000471163074 835292315 /nfs/dbraw/zinc/29/23/15/835292315.db2.gz YEEKHAKBGRJVHN-HNNXBMFYSA-N 1 2 399.516 3.723 20 30 GHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000512537845 844092461 /nfs/dbraw/zinc/09/24/61/844092461.db2.gz ZAXDGYWDNUOVHH-QFIPXVFZSA-N 1 2 391.519 3.909 20 30 GHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000512537845 844092467 /nfs/dbraw/zinc/09/24/67/844092467.db2.gz ZAXDGYWDNUOVHH-QFIPXVFZSA-N 1 2 391.519 3.909 20 30 GHEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(Cc2cc(F)ccc2F)CC1 ZINC000451957793 835826478 /nfs/dbraw/zinc/82/64/78/835826478.db2.gz GHCSRXKSMMQOKU-UHFFFAOYSA-N 1 2 375.444 3.791 20 30 GHEDLO COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000364424385 836003308 /nfs/dbraw/zinc/00/33/08/836003308.db2.gz ZTSDHICNIHHSCS-MRXNPFEDSA-N 1 2 388.427 3.757 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)NCc2cccc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000247059359 836695910 /nfs/dbraw/zinc/69/59/10/836695910.db2.gz VKKBPNRQVZTJKO-RBUKOAKNSA-N 1 2 386.858 3.595 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)NCc2cccc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000247059359 836695916 /nfs/dbraw/zinc/69/59/16/836695916.db2.gz VKKBPNRQVZTJKO-RBUKOAKNSA-N 1 2 386.858 3.595 20 30 GHEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000376201504 837283031 /nfs/dbraw/zinc/28/30/31/837283031.db2.gz ZZPDDTWYMGSJBV-UHFFFAOYSA-N 1 2 393.491 3.635 20 30 GHEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000376201504 837283040 /nfs/dbraw/zinc/28/30/40/837283040.db2.gz ZZPDDTWYMGSJBV-UHFFFAOYSA-N 1 2 393.491 3.635 20 30 GHEDLO Cc1sc(NC(=O)C[NH+]2CCC(OCCc3ccccc3)CC2)c(C#N)c1C ZINC000177057752 837847265 /nfs/dbraw/zinc/84/72/65/837847265.db2.gz XDBWEXMEKSNJQJ-UHFFFAOYSA-N 1 2 397.544 3.899 20 30 GHEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000115531811 837949094 /nfs/dbraw/zinc/94/90/94/837949094.db2.gz WHODDGPZEMBTMO-LJQANCHMSA-N 1 2 376.485 3.574 20 30 GHEDLO C[NH+](C)CC1CCN(c2ccc(N=Cc3cc([N+](=O)[O-])ccc3O)cc2)CC1 ZINC000255123100 838130149 /nfs/dbraw/zinc/13/01/49/838130149.db2.gz CPBDTAHZASFLLU-UHFFFAOYSA-N 1 2 382.464 3.829 20 30 GHEDLO N#Cc1ccccc1COc1ccc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000121087537 838340590 /nfs/dbraw/zinc/34/05/90/838340590.db2.gz IXCNQLZYTLCEFH-HSZRJFAPSA-N 1 2 399.450 3.826 20 30 GHEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)ccc1Cl ZINC000589272627 838361922 /nfs/dbraw/zinc/36/19/22/838361922.db2.gz FHVTZPJEPVGLAM-AZUAARDMSA-N 1 2 389.927 3.785 20 30 GHEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)ccc1Cl ZINC000589272627 838361934 /nfs/dbraw/zinc/36/19/34/838361934.db2.gz FHVTZPJEPVGLAM-AZUAARDMSA-N 1 2 389.927 3.785 20 30 GHEDLO N#CC1(c2ccccn2)CC[NH+](Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000376595356 838413678 /nfs/dbraw/zinc/41/36/78/838413678.db2.gz MWIHJZSMWQXLDX-UHFFFAOYSA-N 1 2 383.879 3.954 20 30 GHEDLO C=CC[N@@H+](CC(=O)N(CC)Cc1ccc2c(c1)OCCO2)Cc1cccs1 ZINC000050274475 839705410 /nfs/dbraw/zinc/70/54/10/839705410.db2.gz OBYYTRAILCFNOT-UHFFFAOYSA-N 1 2 386.517 3.556 20 30 GHEDLO C=CC[N@H+](CC(=O)N(CC)Cc1ccc2c(c1)OCCO2)Cc1cccs1 ZINC000050274475 839705421 /nfs/dbraw/zinc/70/54/21/839705421.db2.gz OBYYTRAILCFNOT-UHFFFAOYSA-N 1 2 386.517 3.556 20 30 GHEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000416773196 840134058 /nfs/dbraw/zinc/13/40/58/840134058.db2.gz JJQGINANRYJZFJ-UHFFFAOYSA-N 1 2 394.475 3.583 20 30 GHEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)N[C@@H](CCCC#N)c2ccccc2)C1 ZINC000458808631 840283879 /nfs/dbraw/zinc/28/38/79/840283879.db2.gz ZGPMDHCAJGBJNC-ICSRJNTNSA-N 1 2 379.508 3.819 20 30 GHEDLO COc1nc(C)nc(N2c3sc(C)cc3C(=[NH2+])Nc3ccccc32)c1C#N ZINC001167456788 841213787 /nfs/dbraw/zinc/21/37/87/841213787.db2.gz LUTSIZYYWUHTQA-UHFFFAOYSA-N 1 2 376.445 3.855 20 30 GHEDLO CCOC(=O)c1sc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c(C#N)c1C ZINC000603806774 861207508 /nfs/dbraw/zinc/20/75/08/861207508.db2.gz JNWGYWREQOHNRQ-UHFFFAOYSA-N 1 2 394.456 3.602 20 30 GHEDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccc(Cl)c1 ZINC000054064681 842254381 /nfs/dbraw/zinc/25/43/81/842254381.db2.gz DSLILDNCMYWSFC-MRXNPFEDSA-N 1 2 382.895 3.800 20 30 GHEDLO Cc1cn2cc(NC(=O)CN3C(=O)N[C@@]4(C[C@@H](C)CC(C)(C)C4)C3=O)ccc2[nH+]1 ZINC000328828123 842351184 /nfs/dbraw/zinc/35/11/84/842351184.db2.gz JUBSXICPGJVXAJ-YEJXKQKISA-N 1 2 397.479 3.572 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000603903107 861361135 /nfs/dbraw/zinc/36/11/35/861361135.db2.gz PGNNNKVDXJPBGY-HUUCEWRRSA-N 1 2 397.548 3.818 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000603903107 861361153 /nfs/dbraw/zinc/36/11/53/861361153.db2.gz PGNNNKVDXJPBGY-HUUCEWRRSA-N 1 2 397.548 3.818 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)c(F)c1 ZINC000510596445 843015330 /nfs/dbraw/zinc/01/53/30/843015330.db2.gz JWBQGLRCLODLCP-OAQYLSRUSA-N 1 2 379.479 3.801 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)c(F)c1 ZINC000510596445 843015340 /nfs/dbraw/zinc/01/53/40/843015340.db2.gz JWBQGLRCLODLCP-OAQYLSRUSA-N 1 2 379.479 3.801 20 30 GHEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(OCc3ccncc3)c(OC)c2)n1 ZINC000279392570 843040077 /nfs/dbraw/zinc/04/00/77/843040077.db2.gz LMYJARHGKQSUJX-UHFFFAOYSA-N 1 2 390.487 3.521 20 30 GHEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(OCc3ccncc3)c(OC)c2)n1 ZINC000279392570 843040090 /nfs/dbraw/zinc/04/00/90/843040090.db2.gz LMYJARHGKQSUJX-UHFFFAOYSA-N 1 2 390.487 3.521 20 30 GHEDLO COc1ccc(CNc2[nH+]cccc2OCCCC#N)cc1Cn1cccn1 ZINC000601925801 843044008 /nfs/dbraw/zinc/04/40/08/843044008.db2.gz DAMMDMYHZGYQMA-UHFFFAOYSA-N 1 2 377.448 3.630 20 30 GHEDLO CCOc1ccccc1[C@H](CC)NC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678254 861476020 /nfs/dbraw/zinc/47/60/20/861476020.db2.gz GZWKDMNECHGOLR-QFIPXVFZSA-N 1 2 391.515 3.777 20 30 GHEDLO CCOc1ccccc1[C@H](CC)NC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678254 861476027 /nfs/dbraw/zinc/47/60/27/861476027.db2.gz GZWKDMNECHGOLR-QFIPXVFZSA-N 1 2 391.515 3.777 20 30 GHEDLO C=C(CNC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC000512673795 844995638 /nfs/dbraw/zinc/99/56/38/844995638.db2.gz SUBADYKHTXASOH-NRFANRHFSA-N 1 2 393.531 3.632 20 30 GHEDLO C[C@@H](c1cn(-c2ccccc2)nn1)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512806160 845586373 /nfs/dbraw/zinc/58/63/73/845586373.db2.gz RIZPKYCAAONDIE-INIZCTEOSA-N 1 2 391.450 3.882 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3(Cc4ccc(Cl)cc4)CC3)CC2)cc1 ZINC000538857634 845660818 /nfs/dbraw/zinc/66/08/18/845660818.db2.gz OJOKADGQQIRMMV-UHFFFAOYSA-N 1 2 393.918 3.879 20 30 GHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2Cc3ccccc3O[C@@H](C)C2)c1C ZINC000429120645 861594770 /nfs/dbraw/zinc/59/47/70/861594770.db2.gz BJWHKCPPAFJRSC-SFHVURJKSA-N 1 2 377.488 3.833 20 30 GHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2Cc3ccccc3O[C@@H](C)C2)c1C ZINC000429120645 861594774 /nfs/dbraw/zinc/59/47/74/861594774.db2.gz BJWHKCPPAFJRSC-SFHVURJKSA-N 1 2 377.488 3.833 20 30 GHEDLO Cc1cnc(C2CC[NH+](CC(=O)Nc3ccccc3SCC#N)CC2)s1 ZINC000277349420 845810789 /nfs/dbraw/zinc/81/07/89/845810789.db2.gz HTFSJRSYFYBSAO-UHFFFAOYSA-N 1 2 386.546 3.885 20 30 GHEDLO C=C(C)COc1cccc(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000072093592 846410408 /nfs/dbraw/zinc/41/04/08/846410408.db2.gz YVHZURMPFSWTLO-QFIPXVFZSA-N 1 2 395.503 3.664 20 30 GHEDLO C=C(C)COc1cccc(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000072093592 846410414 /nfs/dbraw/zinc/41/04/14/846410414.db2.gz YVHZURMPFSWTLO-QFIPXVFZSA-N 1 2 395.503 3.664 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCc3cccc4ccccc43)CC2)cc1 ZINC000502933983 846628652 /nfs/dbraw/zinc/62/86/52/846628652.db2.gz FHELRVMXWSNARY-UHFFFAOYSA-N 1 2 398.510 3.781 20 30 GHEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)nc1-c1cnccn1 ZINC000161183339 846668945 /nfs/dbraw/zinc/66/89/45/846668945.db2.gz XEMSVDXUDQJSFH-SFHVURJKSA-N 1 2 392.532 3.579 20 30 GHEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)nc1-c1cnccn1 ZINC000161183339 846668951 /nfs/dbraw/zinc/66/89/51/846668951.db2.gz XEMSVDXUDQJSFH-SFHVURJKSA-N 1 2 392.532 3.579 20 30 GHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)[C@H](C)c2ccccn2)c1C#N ZINC000127945318 847727302 /nfs/dbraw/zinc/72/73/02/847727302.db2.gz ZJOVXZFLBPYKRK-QGZVFWFLSA-N 1 2 391.475 3.644 20 30 GHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)[C@H](C)c2ccccn2)c1C#N ZINC000127945318 847727307 /nfs/dbraw/zinc/72/73/07/847727307.db2.gz ZJOVXZFLBPYKRK-QGZVFWFLSA-N 1 2 391.475 3.644 20 30 GHEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H](OCc4ccccc4F)C3)o2)c1 ZINC000548752476 848045674 /nfs/dbraw/zinc/04/56/74/848045674.db2.gz MJEBPTHVQQKRCW-IBGZPJMESA-N 1 2 392.434 3.929 20 30 GHEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@H](OCc4ccccc4F)C3)o2)c1 ZINC000548752476 848045681 /nfs/dbraw/zinc/04/56/81/848045681.db2.gz MJEBPTHVQQKRCW-IBGZPJMESA-N 1 2 392.434 3.929 20 30 GHEDLO CN(Cc1ccc(F)cc1)C(=O)C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117351401 848105409 /nfs/dbraw/zinc/10/54/09/848105409.db2.gz MDTYAJAMCKHEDY-UHFFFAOYSA-N 1 2 386.311 3.601 20 30 GHEDLO CN(Cc1ccc(F)cc1)C(=O)C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117351401 848105413 /nfs/dbraw/zinc/10/54/13/848105413.db2.gz MDTYAJAMCKHEDY-UHFFFAOYSA-N 1 2 386.311 3.601 20 30 GHEDLO C[C@@]([NH2+]CC#Cc1ccccc1Cl)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000135207040 848107350 /nfs/dbraw/zinc/10/73/50/848107350.db2.gz XETGPEWQNCCJIB-SFHVURJKSA-N 1 2 380.797 3.701 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)c1C ZINC000015043273 848721335 /nfs/dbraw/zinc/72/13/35/848721335.db2.gz RHLJDGQWEFHXID-UHFFFAOYSA-N 1 2 395.503 3.530 20 30 GHEDLO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000583398280 849799715 /nfs/dbraw/zinc/79/97/15/849799715.db2.gz KARDIBKCSNEYMZ-CYBMUJFWSA-N 1 2 392.272 3.562 20 30 GHEDLO N#CCc1ccc(Oc2ccc(C(=O)N3CC[NH2+][C@H](c4ccncc4)C3)cc2)cc1 ZINC000505530490 849807949 /nfs/dbraw/zinc/80/79/49/849807949.db2.gz RHZFJQPFXJXSGF-QHCPKHFHSA-N 1 2 398.466 3.727 20 30 GHEDLO CCCOc1ccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)cc1OC ZINC000434983619 849971759 /nfs/dbraw/zinc/97/17/59/849971759.db2.gz SIUVBXPKNGCTNM-NRFANRHFSA-N 1 2 379.504 3.866 20 30 GHEDLO Cc1cc(C[NH+]2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)ccc1C#N ZINC000486811809 850117676 /nfs/dbraw/zinc/11/76/76/850117676.db2.gz MZVBXOLPTJPHNB-UHFFFAOYSA-N 1 2 387.405 3.844 20 30 GHEDLO CC(C)(C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1cc(F)cc(C#N)c1 ZINC000505616158 850134785 /nfs/dbraw/zinc/13/47/85/850134785.db2.gz YRCOHNDYGXLNFH-UHFFFAOYSA-N 1 2 376.435 3.536 20 30 GHEDLO CC(C)(C#N)CC(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000425290697 850166935 /nfs/dbraw/zinc/16/69/35/850166935.db2.gz HCHBGTSOAMCLRE-UHFFFAOYSA-N 1 2 389.297 3.614 20 30 GHEDLO C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000908656371 850251846 /nfs/dbraw/zinc/25/18/46/850251846.db2.gz WYZBJNWHHGOPGF-IBGZPJMESA-N 1 2 378.476 3.537 20 30 GHEDLO C=CCC1(C(=O)N[C@H]2CC[N@@H+](CC)[C@H]2c2cc(F)c(F)c(F)c2)CCOCC1 ZINC000424753829 850674294 /nfs/dbraw/zinc/67/42/94/850674294.db2.gz BXCMGKLNFUCRLL-HKUYNNGSSA-N 1 2 396.453 3.728 20 30 GHEDLO C=CCC1(C(=O)N[C@H]2CC[N@H+](CC)[C@H]2c2cc(F)c(F)c(F)c2)CCOCC1 ZINC000424753829 850674303 /nfs/dbraw/zinc/67/43/03/850674303.db2.gz BXCMGKLNFUCRLL-HKUYNNGSSA-N 1 2 396.453 3.728 20 30 GHEDLO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](CC)[C@@H]2c2cc(F)c(F)c(F)c2)CCOCC1 ZINC000424753830 850674348 /nfs/dbraw/zinc/67/43/48/850674348.db2.gz BXCMGKLNFUCRLL-IEBWSBKVSA-N 1 2 396.453 3.728 20 30 GHEDLO C=CCC1(C(=O)N[C@@H]2CC[N@H+](CC)[C@@H]2c2cc(F)c(F)c(F)c2)CCOCC1 ZINC000424753830 850674356 /nfs/dbraw/zinc/67/43/56/850674356.db2.gz BXCMGKLNFUCRLL-IEBWSBKVSA-N 1 2 396.453 3.728 20 30 GHEDLO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CCOCC1 ZINC000424770786 850687539 /nfs/dbraw/zinc/68/75/39/850687539.db2.gz NWUWTVCYRHSDCR-QZTJIDSGSA-N 1 2 380.891 3.713 20 30 GHEDLO C=CCC1(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CCOCC1 ZINC000424770786 850687548 /nfs/dbraw/zinc/68/75/48/850687548.db2.gz NWUWTVCYRHSDCR-QZTJIDSGSA-N 1 2 380.891 3.713 20 30 GHEDLO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1OCc1ccccc1 ZINC000604439019 862205757 /nfs/dbraw/zinc/20/57/57/862205757.db2.gz USXDYVZNTOCOOK-QHCPKHFHSA-N 1 2 377.488 3.506 20 30 GHEDLO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1OCc1ccccc1 ZINC000604439019 862205764 /nfs/dbraw/zinc/20/57/64/862205764.db2.gz USXDYVZNTOCOOK-QHCPKHFHSA-N 1 2 377.488 3.506 20 30 GHEDLO Nc1nc(Cl)c(C=[NH+]Nc2ccc(Br)cc2)c(N2CCCC2)n1 ZINC000912828339 852777583 /nfs/dbraw/zinc/77/75/83/852777583.db2.gz ZBFWTIPELJHYDC-UHFFFAOYSA-N 1 2 395.692 3.521 20 30 GHEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000425736478 852813016 /nfs/dbraw/zinc/81/30/16/852813016.db2.gz HDJFIANMAZAFQP-INIZCTEOSA-N 1 2 396.922 3.972 20 30 GHEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000425736478 852813019 /nfs/dbraw/zinc/81/30/19/852813019.db2.gz HDJFIANMAZAFQP-INIZCTEOSA-N 1 2 396.922 3.972 20 30 GHEDLO C=CCOc1cccc(C[NH+]2CCN(CC(=O)Nc3ccccc3CC)CC2)c1 ZINC000506010712 852942311 /nfs/dbraw/zinc/94/23/11/852942311.db2.gz TVQRMPRBOSHREG-UHFFFAOYSA-N 1 2 393.531 3.570 20 30 GHEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000437534771 853237572 /nfs/dbraw/zinc/23/75/72/853237572.db2.gz JGWWDLLFNBRPNK-NRSPTQNISA-N 1 2 382.508 3.522 20 30 GHEDLO N#CCCCOc1cccc(C[NH+]2CCN(CCOc3ccccc3)CC2)c1 ZINC000506100036 853411576 /nfs/dbraw/zinc/41/15/76/853411576.db2.gz YUMJRCJCCJNODM-UHFFFAOYSA-N 1 2 379.504 3.566 20 30 GHEDLO CCSCc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000054852255 853562201 /nfs/dbraw/zinc/56/22/01/853562201.db2.gz JMOYPQGHDVDCTA-UHFFFAOYSA-N 1 2 379.529 3.769 20 30 GHEDLO N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC000587055986 853634827 /nfs/dbraw/zinc/63/48/27/853634827.db2.gz BBYBKWKDDSKPND-QGZVFWFLSA-N 1 2 392.846 3.945 20 30 GHEDLO Cc1cc2c(ncnc2N2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)s1 ZINC000439446885 853664017 /nfs/dbraw/zinc/66/40/17/853664017.db2.gz QVZZLASRXUGBBC-UHFFFAOYSA-N 1 2 383.908 3.847 20 30 GHEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000571031375 853695701 /nfs/dbraw/zinc/69/57/01/853695701.db2.gz KMSBYHSMLWBXAQ-HXUWFJFHSA-N 1 2 380.517 3.525 20 30 GHEDLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)CO[C@H]3CCCC[C@@H]3C)c2)CC1 ZINC000329997023 862491286 /nfs/dbraw/zinc/49/12/86/862491286.db2.gz PVCHXTMYSGXMDA-UWJYYQICSA-N 1 2 387.524 3.534 20 30 GHEDLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)CO[C@@H]3CCCC[C@H]3C)c2)CC1 ZINC000329997020 862491382 /nfs/dbraw/zinc/49/13/82/862491382.db2.gz PVCHXTMYSGXMDA-DYESRHJHSA-N 1 2 387.524 3.534 20 30 GHEDLO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@H+](CCO)C3CC3)sc2C1 ZINC000426397892 853708724 /nfs/dbraw/zinc/70/87/24/853708724.db2.gz VHRKFERJRNIDNZ-CQSZACIVSA-N 1 2 389.565 3.556 20 30 GHEDLO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@@H+](CCO)C3CC3)sc2C1 ZINC000426397892 853708733 /nfs/dbraw/zinc/70/87/33/853708733.db2.gz VHRKFERJRNIDNZ-CQSZACIVSA-N 1 2 389.565 3.556 20 30 GHEDLO O=C(N[C@@H]1CCOc2c(Br)cccc21)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328657616 854492493 /nfs/dbraw/zinc/49/24/93/854492493.db2.gz PJUJRHIILSGLGQ-IAQYHMDHSA-N 1 2 376.254 3.688 20 30 GHEDLO CO[C@]1(C)CCCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000330111101 862581570 /nfs/dbraw/zinc/58/15/70/862581570.db2.gz QXRBXFKDXPXUJX-DNVCBOLYSA-N 1 2 380.558 3.812 20 30 GHEDLO CO[C@]1(C)CCCN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000330111101 862581575 /nfs/dbraw/zinc/58/15/75/862581575.db2.gz QXRBXFKDXPXUJX-DNVCBOLYSA-N 1 2 380.558 3.812 20 30 GHEDLO N#CC[C@@H]1CC[C@H](NC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)C1 ZINC000458968207 854970705 /nfs/dbraw/zinc/97/07/05/854970705.db2.gz ARRDBWUFVQJNDB-LPHOPBHVSA-N 1 2 385.899 3.831 20 30 GHEDLO Cc1ccc(-c2csc(NC(=O)C[N@@H+]3CCS[C@H]4COCC[C@H]43)n2)cc1 ZINC000330172958 862633327 /nfs/dbraw/zinc/63/33/27/862633327.db2.gz GXQCXQHLGQKSQK-SJORKVTESA-N 1 2 389.546 3.913 20 30 GHEDLO Cc1ccc(-c2csc(NC(=O)C[N@H+]3CCS[C@H]4COCC[C@H]43)n2)cc1 ZINC000330172958 862633341 /nfs/dbraw/zinc/63/33/41/862633341.db2.gz GXQCXQHLGQKSQK-SJORKVTESA-N 1 2 389.546 3.913 20 30 GHEDLO COCc1ccccc1/C=C(/C)C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000590347866 855376469 /nfs/dbraw/zinc/37/64/69/855376469.db2.gz YOKOWSXGSAIIRN-LGMDPLHJSA-N 1 2 392.503 3.796 20 30 GHEDLO N#Cc1ccc(NC(=O)C[NH2+][C@@H](c2cccc(Cl)c2)c2ccccn2)cc1 ZINC000133770668 862686090 /nfs/dbraw/zinc/68/60/90/862686090.db2.gz RZXVKLSHDHHESD-NRFANRHFSA-N 1 2 376.847 3.924 20 30 GHEDLO CCOc1ccc(C#N)cc1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000056622082 855608007 /nfs/dbraw/zinc/60/80/07/855608007.db2.gz GLDIVVMACFJWPG-UHFFFAOYSA-N 1 2 375.432 3.523 20 30 GHEDLO CSCc1ccccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000273644286 855926265 /nfs/dbraw/zinc/92/62/65/855926265.db2.gz VUYLZTAGWKHGGE-UHFFFAOYSA-N 1 2 380.517 3.771 20 30 GHEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)N[C@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000591390219 855943708 /nfs/dbraw/zinc/94/37/08/855943708.db2.gz GUGRWZABLVZINC-FCHUYYIVSA-N 1 2 399.498 3.952 20 30 GHEDLO CN(CCC#N)C[C@H](O)C[NH2+][C@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC000591744901 856238183 /nfs/dbraw/zinc/23/81/83/856238183.db2.gz LODKZFUPMNEBMA-FOIQADDNSA-N 1 2 393.865 3.504 20 30 GHEDLO C[N@H+](CCC#N)C[C@H](O)CN[C@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC000591744901 856238194 /nfs/dbraw/zinc/23/81/94/856238194.db2.gz LODKZFUPMNEBMA-FOIQADDNSA-N 1 2 393.865 3.504 20 30 GHEDLO C[N@@H+](CCC#N)C[C@H](O)CN[C@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC000591744901 856238208 /nfs/dbraw/zinc/23/82/08/856238208.db2.gz LODKZFUPMNEBMA-FOIQADDNSA-N 1 2 393.865 3.504 20 30 GHEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)N[C@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000509224241 856240223 /nfs/dbraw/zinc/24/02/23/856240223.db2.gz IGAMSDWHHPVTCF-MSOLQXFVSA-N 1 2 392.503 3.716 20 30 GHEDLO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCO2)c1 ZINC000554868835 856340438 /nfs/dbraw/zinc/34/04/38/856340438.db2.gz NLXOEYQZQWQYIO-DHIUTWEWSA-N 1 2 378.472 3.517 20 30 GHEDLO N#Cc1ccccc1COc1cccc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCO2)c1 ZINC000554868835 856340445 /nfs/dbraw/zinc/34/04/45/856340445.db2.gz NLXOEYQZQWQYIO-DHIUTWEWSA-N 1 2 378.472 3.517 20 30 GHEDLO CCOc1ccccc1C[N@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000172169657 856358354 /nfs/dbraw/zinc/35/83/54/856358354.db2.gz PNWQHYPNHPUIMN-CQSZACIVSA-N 1 2 383.517 3.966 20 30 GHEDLO CCOc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000172169657 856358356 /nfs/dbraw/zinc/35/83/56/856358356.db2.gz PNWQHYPNHPUIMN-CQSZACIVSA-N 1 2 383.517 3.966 20 30 GHEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)Cc1ccncc1C#N ZINC000592080613 856653154 /nfs/dbraw/zinc/65/31/54/856653154.db2.gz ZOEIXTYAWGLNJF-UHFFFAOYSA-N 1 2 375.476 3.641 20 30 GHEDLO N#Cc1ccc(S(=O)(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc1F ZINC000427746006 856659650 /nfs/dbraw/zinc/65/96/50/856659650.db2.gz FZHKKEHGWHCJLG-UHFFFAOYSA-N 1 2 396.447 3.698 20 30 GHEDLO N#Cc1c(NC(=O)C[NH+]2CCC(OC3CCC3)CC2)sc2c1CCCCC2 ZINC000573942764 856861334 /nfs/dbraw/zinc/86/13/34/856861334.db2.gz UZBCGKALYCDYLG-UHFFFAOYSA-N 1 2 387.549 3.861 20 30 GHEDLO CC(C)O[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000593054205 857203277 /nfs/dbraw/zinc/20/32/77/857203277.db2.gz CDVIFETZKCXVFS-IRXDYDNUSA-N 1 2 375.538 3.766 20 30 GHEDLO CC(C)O[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000593054205 857203284 /nfs/dbraw/zinc/20/32/84/857203284.db2.gz CDVIFETZKCXVFS-IRXDYDNUSA-N 1 2 375.538 3.766 20 30 GHEDLO CC(C)O[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000593055953 857205579 /nfs/dbraw/zinc/20/55/79/857205579.db2.gz VNYPOIRJNFETPB-IRXDYDNUSA-N 1 2 375.538 3.909 20 30 GHEDLO CC(C)O[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000593055953 857205581 /nfs/dbraw/zinc/20/55/81/857205581.db2.gz VNYPOIRJNFETPB-IRXDYDNUSA-N 1 2 375.538 3.909 20 30 GHEDLO C=C(C)[C@H](CC(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1)OCC ZINC000543024573 857925561 /nfs/dbraw/zinc/92/55/61/857925561.db2.gz VECPHYSGGWHIHG-FUHIMQAGSA-N 1 2 384.442 3.727 20 30 GHEDLO C=C(C)[C@H](CC(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1)OCC ZINC000543024573 857925571 /nfs/dbraw/zinc/92/55/71/857925571.db2.gz VECPHYSGGWHIHG-FUHIMQAGSA-N 1 2 384.442 3.727 20 30 GHEDLO Cc1sc(NC(=O)CN2CC[NH+](C/C=C\c3ccccc3)CC2)c(C#N)c1C ZINC000255863282 858307604 /nfs/dbraw/zinc/30/76/04/858307604.db2.gz HSIVLZHXKXSFNN-TWGQIWQCSA-N 1 2 394.544 3.506 20 30 GHEDLO COc1cc(OC)c2ncc(C#N)c(NC3CCN(c4cccc[nH+]4)CC3)c2c1 ZINC000439103831 858332603 /nfs/dbraw/zinc/33/26/03/858332603.db2.gz XFOFLEMJPNESIM-UHFFFAOYSA-N 1 2 389.459 3.600 20 30 GHEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000575041554 858501097 /nfs/dbraw/zinc/50/10/97/858501097.db2.gz OZQWHAIOSUXXKU-XMDBHEJHSA-N 1 2 398.457 3.984 20 30 GHEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000575041554 858501106 /nfs/dbraw/zinc/50/11/06/858501106.db2.gz OZQWHAIOSUXXKU-XMDBHEJHSA-N 1 2 398.457 3.984 20 30 GHEDLO CC(C)Oc1ccnc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)c1 ZINC000593001714 858525567 /nfs/dbraw/zinc/52/55/67/858525567.db2.gz HQVCNACZDXBFQD-UHFFFAOYSA-N 1 2 387.487 3.611 20 30 GHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)c1C#N ZINC000595613167 858631210 /nfs/dbraw/zinc/63/12/10/858631210.db2.gz AFBHWWMWIWFKAS-SFHVURJKSA-N 1 2 375.476 3.530 20 30 GHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CCC[C@@H](CC#N)C2)c1C#N ZINC000595613167 858631218 /nfs/dbraw/zinc/63/12/18/858631218.db2.gz AFBHWWMWIWFKAS-SFHVURJKSA-N 1 2 375.476 3.530 20 30 GHEDLO CC(C)(C)c1cc(NC(=O)C[N@@H+]2CCC[C@H](CC#N)C2)n(-c2ccccc2)n1 ZINC000595615702 858632221 /nfs/dbraw/zinc/63/22/21/858632221.db2.gz NAQJKEPFCBNFFC-QGZVFWFLSA-N 1 2 379.508 3.734 20 30 GHEDLO CC(C)(C)c1cc(NC(=O)C[N@H+]2CCC[C@H](CC#N)C2)n(-c2ccccc2)n1 ZINC000595615702 858632226 /nfs/dbraw/zinc/63/22/26/858632226.db2.gz NAQJKEPFCBNFFC-QGZVFWFLSA-N 1 2 379.508 3.734 20 30 GHEDLO Cc1sc(NC(=O)C[NH2+][C@@H](CO)c2cccc(Cl)c2Cl)c(C#N)c1C ZINC000595830034 858701474 /nfs/dbraw/zinc/70/14/74/858701474.db2.gz SVYZZYWFWNWOEF-AWEZNQCLSA-N 1 2 398.315 3.805 20 30 GHEDLO COC1(c2noc(CC3CC[NH+](Cc4cc(F)ccc4C#N)CC3)n2)CCCC1 ZINC000595918231 858732897 /nfs/dbraw/zinc/73/28/97/858732897.db2.gz VLIVZGMXNPXXHD-UHFFFAOYSA-N 1 2 398.482 3.951 20 30 GHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCC3(C#N)CCCCC3)n2)C1 ZINC000596478095 858906944 /nfs/dbraw/zinc/90/69/44/858906944.db2.gz FYUQCRADIHKHPX-HNNXBMFYSA-N 1 2 375.542 3.971 20 30 GHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCC3(C#N)CCCCC3)n2)C1 ZINC000596478095 858906951 /nfs/dbraw/zinc/90/69/51/858906951.db2.gz FYUQCRADIHKHPX-HNNXBMFYSA-N 1 2 375.542 3.971 20 30 GHEDLO N#Cc1ccc(CCNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1 ZINC000596673582 858997842 /nfs/dbraw/zinc/99/78/42/858997842.db2.gz UNQQAMOEBUFFFQ-FGZHOGPDSA-N 1 2 385.471 3.525 20 30 GHEDLO CCOC(=O)C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1 ZINC000060356150 859120362 /nfs/dbraw/zinc/12/03/62/859120362.db2.gz LDEIOEPYIAJYGX-UHFFFAOYSA-N 1 2 399.878 3.606 20 30 GHEDLO CCOC(=O)C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1 ZINC000060356150 859120366 /nfs/dbraw/zinc/12/03/66/859120366.db2.gz LDEIOEPYIAJYGX-UHFFFAOYSA-N 1 2 399.878 3.606 20 30 GHEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1C(C)C ZINC000483095940 859133408 /nfs/dbraw/zinc/13/34/08/859133408.db2.gz ICQIWMUOUIBKIR-YLJYHZDGSA-N 1 2 381.524 3.762 20 30 GHEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2n1C(C)C ZINC000483095940 859133413 /nfs/dbraw/zinc/13/34/13/859133413.db2.gz ICQIWMUOUIBKIR-YLJYHZDGSA-N 1 2 381.524 3.762 20 30 GHEDLO CC(C)CCOC1CC[NH+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000194336631 859261212 /nfs/dbraw/zinc/26/12/12/859261212.db2.gz ASIACCYCUVNCCX-UHFFFAOYSA-N 1 2 375.538 3.768 20 30 GHEDLO C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000499730510 859369679 /nfs/dbraw/zinc/36/96/79/859369679.db2.gz CAKKIGUMXVHCNL-MBPVOVBZSA-N 1 2 389.499 3.723 20 30 GHEDLO C=CCn1c(-c2ccccc2F)nn(C[N@H+](CC)C[C@H]2CCOC2)c1=S ZINC000738081494 859432134 /nfs/dbraw/zinc/43/21/34/859432134.db2.gz LINPMYLXLLQGII-OAHLLOKOSA-N 1 2 376.501 3.722 20 30 GHEDLO C=CCn1c(-c2ccccc2F)nn(C[N@@H+](CC)C[C@H]2CCOC2)c1=S ZINC000738081494 859432140 /nfs/dbraw/zinc/43/21/40/859432140.db2.gz LINPMYLXLLQGII-OAHLLOKOSA-N 1 2 376.501 3.722 20 30 GHEDLO C=CCc1cc(C[NH+]2CCN(c3cc(OC)ccc3F)CC2)cc(OC)c1O ZINC000483636357 859513490 /nfs/dbraw/zinc/51/34/90/859513490.db2.gz MRNWJHURQONTDK-UHFFFAOYSA-N 1 2 386.467 3.599 20 30 GHEDLO C[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)c1cccc(C#N)c1 ZINC000611199046 859639669 /nfs/dbraw/zinc/63/96/69/859639669.db2.gz KDLNGFKGRUPNSX-MRFFXTKBSA-N 1 2 384.430 3.642 20 30 GHEDLO C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)c1cccc(C#N)c1 ZINC000611199046 859639670 /nfs/dbraw/zinc/63/96/70/859639670.db2.gz KDLNGFKGRUPNSX-MRFFXTKBSA-N 1 2 384.430 3.642 20 30 GHEDLO N#Cc1ccccc1N1CC[NH+](Cc2cnn(Cc3ccccc3Cl)c2)CC1 ZINC000611253812 859664758 /nfs/dbraw/zinc/66/47/58/859664758.db2.gz MMDOHJZUJYNOFC-UHFFFAOYSA-N 1 2 391.906 3.779 20 30 GHEDLO N#Cc1ccc2nc(N3CC[NH+]([C@H](CO)c4ccc(Cl)cc4)CC3)ccc2c1 ZINC000611305382 859687859 /nfs/dbraw/zinc/68/78/59/859687859.db2.gz ORIUTKCONMMKHL-OAQYLSRUSA-N 1 2 392.890 3.615 20 30 GHEDLO C=CCN(CC1CCCCC1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000483913088 859688390 /nfs/dbraw/zinc/68/83/90/859688390.db2.gz JBTSREUOURMAEV-JOCHJYFZSA-N 1 2 385.552 3.665 20 30 GHEDLO C=CCN(CC1CCCCC1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000483913088 859688400 /nfs/dbraw/zinc/68/84/00/859688400.db2.gz JBTSREUOURMAEV-JOCHJYFZSA-N 1 2 385.552 3.665 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C[N@H+](CCO)[C@H]2CCCc3ccccc32)c1C#N ZINC000611347377 859721235 /nfs/dbraw/zinc/72/12/35/859721235.db2.gz DOZNZOBLSZXIAE-QHCPKHFHSA-N 1 2 386.499 3.924 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](CCO)[C@H]2CCCc3ccccc32)c1C#N ZINC000611347377 859721245 /nfs/dbraw/zinc/72/12/45/859721245.db2.gz DOZNZOBLSZXIAE-QHCPKHFHSA-N 1 2 386.499 3.924 20 30 GHEDLO C=CCOc1ccc(-c2nn(C[N@@H+]3CCC4(C3)CCOCC4)c(=S)o2)cc1 ZINC000765047840 859761340 /nfs/dbraw/zinc/76/13/40/859761340.db2.gz PVEPYGVEGUVKLV-UHFFFAOYSA-N 1 2 387.505 3.897 20 30 GHEDLO C=CCOc1ccc(-c2nn(C[N@H+]3CCC4(C3)CCOCC4)c(=S)o2)cc1 ZINC000765047840 859761344 /nfs/dbraw/zinc/76/13/44/859761344.db2.gz PVEPYGVEGUVKLV-UHFFFAOYSA-N 1 2 387.505 3.897 20 30 GHEDLO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000602103840 859777890 /nfs/dbraw/zinc/77/78/90/859777890.db2.gz CZYDYFDDCSDLAY-IXDOHACOSA-N 1 2 376.382 3.675 20 30 GHEDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N[C@H](CCCC#N)c2ccccc2)cc1 ZINC000602157827 859813837 /nfs/dbraw/zinc/81/38/37/859813837.db2.gz FHTZMECCLQLDDO-FGZHOGPDSA-N 1 2 377.488 3.821 20 30 GHEDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N[C@H](CCCC#N)c2ccccc2)cc1 ZINC000602157827 859813847 /nfs/dbraw/zinc/81/38/47/859813847.db2.gz FHTZMECCLQLDDO-FGZHOGPDSA-N 1 2 377.488 3.821 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(OCc3ccc(F)cc3)CC2)c(C#N)c1C ZINC000091885448 859952958 /nfs/dbraw/zinc/95/29/58/859952958.db2.gz VLSNWIJCHJKTTO-HNNXBMFYSA-N 1 2 399.466 3.915 20 30 GHEDLO C[C@@H](c1ccsc1)N1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000185449225 860279952 /nfs/dbraw/zinc/27/99/52/860279952.db2.gz DWEBSKSFUDRPRO-KRWDZBQOSA-N 1 2 391.544 3.899 20 30 GHEDLO N#Cc1cc(F)cc(C2(C(=O)N3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)CC2)c1 ZINC000552250339 860408028 /nfs/dbraw/zinc/40/80/28/860408028.db2.gz DZBMIOWDQJUQFO-KRWDZBQOSA-N 1 2 392.478 3.668 20 30 GHEDLO C#CC[N@@H+](CC(=O)Nc1cc(-c2ccc(C)cc2)nn1-c1ccccc1)C1CC1 ZINC001170375027 881546309 /nfs/dbraw/zinc/54/63/09/881546309.db2.gz DBXDHKSVWYYMPD-UHFFFAOYSA-N 1 2 384.483 3.884 20 30 GHEDLO C#CC[N@H+](CC(=O)Nc1cc(-c2ccc(C)cc2)nn1-c1ccccc1)C1CC1 ZINC001170375027 881546461 /nfs/dbraw/zinc/54/64/61/881546461.db2.gz DBXDHKSVWYYMPD-UHFFFAOYSA-N 1 2 384.483 3.884 20 30 GHEDLO CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000603160561 860517193 /nfs/dbraw/zinc/51/71/93/860517193.db2.gz ZDWOYCYECSFSRQ-FGZHOGPDSA-N 1 2 399.498 3.541 20 30 GHEDLO CC1(C(=O)OCc2ccc[nH+]c2N)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000922731838 860535455 /nfs/dbraw/zinc/53/54/55/860535455.db2.gz QRQIGGYUTRQXBQ-UHFFFAOYSA-N 1 2 384.867 3.539 20 30 GHEDLO CC(C)(C#N)c1ccc(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000603657703 860988885 /nfs/dbraw/zinc/98/88/85/860988885.db2.gz DZWMOHWXRIBSPQ-OAQYLSRUSA-N 1 2 392.503 3.510 20 30 GHEDLO CC(C)(C#N)c1ccc(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000603657703 860988895 /nfs/dbraw/zinc/98/88/95/860988895.db2.gz DZWMOHWXRIBSPQ-OAQYLSRUSA-N 1 2 392.503 3.510 20 30 GHEDLO C=CC[N@@H+](CCc1ccco1)Cn1c(=O)oc2cc(F)c(Br)cc21 ZINC000792706705 881633349 /nfs/dbraw/zinc/63/33/49/881633349.db2.gz BZQJNCLDXQKNTF-UHFFFAOYSA-N 1 2 395.228 3.777 20 30 GHEDLO C=CC[N@H+](CCc1ccco1)Cn1c(=O)oc2cc(F)c(Br)cc21 ZINC000792706705 881633366 /nfs/dbraw/zinc/63/33/66/881633366.db2.gz BZQJNCLDXQKNTF-UHFFFAOYSA-N 1 2 395.228 3.777 20 30 GHEDLO Cc1cc(CCCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)s1 ZINC000439705810 863554363 /nfs/dbraw/zinc/55/43/63/863554363.db2.gz IRXBMNWNXHWGNL-UHFFFAOYSA-N 1 2 381.545 3.904 20 30 GHEDLO C#CCOc1ccccc1CNC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000734104607 863993999 /nfs/dbraw/zinc/99/39/99/863993999.db2.gz PJAVBFODRULVCI-UHFFFAOYSA-N 1 2 399.494 3.555 20 30 GHEDLO C#CCOc1ccccc1CNC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000734104607 863994003 /nfs/dbraw/zinc/99/40/03/863994003.db2.gz PJAVBFODRULVCI-UHFFFAOYSA-N 1 2 399.494 3.555 20 30 GHEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2Cc3ccc(C#N)cc3C2)C[C@@H](C)O1 ZINC000594065314 864005279 /nfs/dbraw/zinc/00/52/79/864005279.db2.gz VUNIFRZJONRYGF-IAGOWNOFSA-N 1 2 390.487 3.715 20 30 GHEDLO C=CCOc1ccc(CNC(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1 ZINC000554446942 864362746 /nfs/dbraw/zinc/36/27/46/864362746.db2.gz FHTWGKNMAZQMFG-UHFFFAOYSA-N 1 2 392.459 3.849 20 30 GHEDLO C=CC[C@H](NC(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1)c1ccncc1 ZINC000734682386 864381145 /nfs/dbraw/zinc/38/11/45/864381145.db2.gz COBVBUPIFBOWSJ-GCJKJVERSA-N 1 2 394.519 3.796 20 30 GHEDLO Cc1c(CO[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)cccc1[N+](=O)[O-] ZINC000072078540 864444251 /nfs/dbraw/zinc/44/42/51/864444251.db2.gz TVRCJYSAVSBXNJ-UHFFFAOYSA-N 1 2 392.415 3.714 20 30 GHEDLO C=CC[N@@H+](CC(=O)N(C)Cc1c(F)cccc1Cl)Cc1cccc(C#N)c1 ZINC000063300693 864482791 /nfs/dbraw/zinc/48/27/91/864482791.db2.gz CPVRVEVVYLORTJ-UHFFFAOYSA-N 1 2 385.870 3.997 20 30 GHEDLO C=CC[N@H+](CC(=O)N(C)Cc1c(F)cccc1Cl)Cc1cccc(C#N)c1 ZINC000063300693 864482794 /nfs/dbraw/zinc/48/27/94/864482794.db2.gz CPVRVEVVYLORTJ-UHFFFAOYSA-N 1 2 385.870 3.997 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735308578 864734621 /nfs/dbraw/zinc/73/46/21/864734621.db2.gz JROZTDGKMGTFOV-MRXNPFEDSA-N 1 2 379.888 3.731 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735308578 864734628 /nfs/dbraw/zinc/73/46/28/864734628.db2.gz JROZTDGKMGTFOV-MRXNPFEDSA-N 1 2 379.888 3.731 20 30 GHEDLO Cc1cccn2c(CN3CCN([C@H](C#N)c4cccc(Cl)c4)CC3)c[nH+]c12 ZINC000475347802 864827273 /nfs/dbraw/zinc/82/72/73/864827273.db2.gz JQMYVIXUOCSDAD-HXUWFJFHSA-N 1 2 379.895 3.679 20 30 GHEDLO CC(C)CN(C)c1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000063500676 864867530 /nfs/dbraw/zinc/86/75/30/864867530.db2.gz BHTZKDWGUCJVAO-UHFFFAOYSA-N 1 2 390.531 3.608 20 30 GHEDLO N#Cc1cccc(OCC[N@@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)c1 ZINC000063581169 865011532 /nfs/dbraw/zinc/01/15/32/865011532.db2.gz XUHMPJPUCHRMKM-LJQANCHMSA-N 1 2 387.277 3.773 20 30 GHEDLO N#Cc1cccc(OCC[N@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)c1 ZINC000063581169 865011536 /nfs/dbraw/zinc/01/15/36/865011536.db2.gz XUHMPJPUCHRMKM-LJQANCHMSA-N 1 2 387.277 3.773 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3cccc4ccccc43)CC2)cc1 ZINC000063797800 865406652 /nfs/dbraw/zinc/40/66/52/865406652.db2.gz FXKLKIKPYGCMQK-UHFFFAOYSA-N 1 2 384.483 3.739 20 30 GHEDLO CS(=O)(=O)c1cccc([C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)c2cc(F)ccc2F)c1 ZINC000555331750 865909462 /nfs/dbraw/zinc/90/94/62/865909462.db2.gz QNKXXOYWFSSYCZ-OWZDWXTDSA-N 1 2 390.455 3.740 20 30 GHEDLO C=CC[N@H+](CC(=O)NCCc1cccc2cccnc21)Cc1ccc(OC)cc1 ZINC000153473617 866504757 /nfs/dbraw/zinc/50/47/57/866504757.db2.gz BHCKKVZOUJRRGS-UHFFFAOYSA-N 1 2 389.499 3.590 20 30 GHEDLO C=CC[N@@H+](CC(=O)NCCc1cccc2cccnc21)Cc1ccc(OC)cc1 ZINC000153473617 866504763 /nfs/dbraw/zinc/50/47/63/866504763.db2.gz BHCKKVZOUJRRGS-UHFFFAOYSA-N 1 2 389.499 3.590 20 30 GHEDLO C[NH+](C)c1ccc(N2CCC(=NNC(=S)NCc3ccc(F)cc3)CC2)cc1 ZINC000741458569 866529845 /nfs/dbraw/zinc/52/98/45/866529845.db2.gz OTVJCXMMSXLCEH-UHFFFAOYSA-N 1 2 399.539 3.512 20 30 GHEDLO Cc1ccccc1[C@@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCO1 ZINC000741801810 866825664 /nfs/dbraw/zinc/82/56/64/866825664.db2.gz LKRMYFQTZBBMME-UGKGYDQZSA-N 1 2 398.466 3.606 20 30 GHEDLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCO1 ZINC000741801810 866825680 /nfs/dbraw/zinc/82/56/80/866825680.db2.gz LKRMYFQTZBBMME-UGKGYDQZSA-N 1 2 398.466 3.606 20 30 GHEDLO COC(=O)[C@H]1C[C@H](OC)CC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444675814 867048565 /nfs/dbraw/zinc/04/85/65/867048565.db2.gz SCOGILMYTDMZQT-FGZHOGPDSA-N 1 2 392.499 3.539 20 30 GHEDLO COC(=O)[C@H]1C[C@H](OC)CC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444675814 867048582 /nfs/dbraw/zinc/04/85/82/867048582.db2.gz SCOGILMYTDMZQT-FGZHOGPDSA-N 1 2 392.499 3.539 20 30 GHEDLO C=CCn1c2nn(C[N@@H+]3C[C@@H](C)CCC[C@@H]3C)c(=S)n2c2ccccc2c1=O ZINC000742154162 867108603 /nfs/dbraw/zinc/10/86/03/867108603.db2.gz DSNHFZDUIMNMKP-HOTGVXAUSA-N 1 2 397.548 3.834 20 30 GHEDLO C=CCn1c2nn(C[N@H+]3C[C@@H](C)CCC[C@@H]3C)c(=S)n2c2ccccc2c1=O ZINC000742154162 867108611 /nfs/dbraw/zinc/10/86/11/867108611.db2.gz DSNHFZDUIMNMKP-HOTGVXAUSA-N 1 2 397.548 3.834 20 30 GHEDLO C[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1cc(F)cc(F)c1 ZINC000444717141 867126664 /nfs/dbraw/zinc/12/66/64/867126664.db2.gz REOAOJRKSOOKPQ-UHFFFAOYSA-N 1 2 377.822 3.997 20 30 GHEDLO C[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1cc(F)cc(F)c1 ZINC000444717141 867126674 /nfs/dbraw/zinc/12/66/74/867126674.db2.gz REOAOJRKSOOKPQ-UHFFFAOYSA-N 1 2 377.822 3.997 20 30 GHEDLO COc1cc(Br)c(CO[NH+]=C(N)c2ccc(F)c(C)c2)cc1OC ZINC000920401266 882080434 /nfs/dbraw/zinc/08/04/34/882080434.db2.gz IQCXMAUUFNHFLC-UHFFFAOYSA-N 1 2 397.244 3.751 20 30 GHEDLO COc1ccc([C@H](C/N=C/c2cc([N+](=O)[O-])ccc2O)[NH+]2CCCCC2)cc1 ZINC000005290649 882159665 /nfs/dbraw/zinc/15/96/65/882159665.db2.gz FXKXGBYNKZFVAL-ISXGRJCASA-N 1 2 383.448 3.955 20 30 GHEDLO N#CCOc1ccc(CC(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc1 ZINC000793391149 882165312 /nfs/dbraw/zinc/16/53/12/882165312.db2.gz MBKVJVUIAJBQDD-UHFFFAOYSA-N 1 2 387.439 3.937 20 30 GHEDLO C[S@](=O)C[C@H]([NH2+]Cc1ccc(Br)cc1C#N)c1ccccc1 ZINC000553878401 868361015 /nfs/dbraw/zinc/36/10/15/868361015.db2.gz DQVCDBDZUMUUNI-JTSKRJEESA-N 1 2 377.307 3.530 20 30 GHEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000155283897 868474819 /nfs/dbraw/zinc/47/48/19/868474819.db2.gz HLZNVEKLDMPMBF-OAQYLSRUSA-N 1 2 375.451 3.598 20 30 GHEDLO C[N@@H+](Cc1ccccc1C(F)(F)F)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793485000 882221780 /nfs/dbraw/zinc/22/17/80/882221780.db2.gz VDALOWCVVKYKCM-UHFFFAOYSA-N 1 2 375.394 3.707 20 30 GHEDLO C[N@H+](Cc1ccccc1C(F)(F)F)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793485000 882221796 /nfs/dbraw/zinc/22/17/96/882221796.db2.gz VDALOWCVVKYKCM-UHFFFAOYSA-N 1 2 375.394 3.707 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCCc3cc(F)ccc3F)CC2)cc1 ZINC000535590094 869057443 /nfs/dbraw/zinc/05/74/43/869057443.db2.gz IMEMNPVOKDNDQT-UHFFFAOYSA-N 1 2 383.442 3.504 20 30 GHEDLO CC[NH+](CC)[C@@H](C(=O)O[C@H](C)C(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000744996515 869220613 /nfs/dbraw/zinc/22/06/13/869220613.db2.gz KGZCSPPMRYMTAX-OXQOHEQNSA-N 1 2 379.460 3.512 20 30 GHEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)OC(C)(C)C)cc1 ZINC000793608536 882327088 /nfs/dbraw/zinc/32/70/88/882327088.db2.gz KXUVUIOGXVSXFG-SZMVWBNQSA-N 1 2 391.487 3.757 20 30 GHEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)OC(C)(C)C)cc1 ZINC000793608536 882327102 /nfs/dbraw/zinc/32/71/02/882327102.db2.gz KXUVUIOGXVSXFG-SZMVWBNQSA-N 1 2 391.487 3.757 20 30 GHEDLO N#Cc1cccc(-c2nnc(C[N@@H+](CCCO)Cc3cccc(Cl)c3)o2)c1 ZINC000441061453 870087745 /nfs/dbraw/zinc/08/77/45/870087745.db2.gz LIFSHQQWJZKUFW-UHFFFAOYSA-N 1 2 382.851 3.646 20 30 GHEDLO N#Cc1cccc(-c2nnc(C[N@H+](CCCO)Cc3cccc(Cl)c3)o2)c1 ZINC000441061453 870087760 /nfs/dbraw/zinc/08/77/60/870087760.db2.gz LIFSHQQWJZKUFW-UHFFFAOYSA-N 1 2 382.851 3.646 20 30 GHEDLO CCOC(=O)[C@@H](c1ccc(Cl)cc1)[N@H+](CC)C[C@@H](O)CC1(C#N)CCC1 ZINC001192525138 870486451 /nfs/dbraw/zinc/48/64/51/870486451.db2.gz IIALQUBXIITOMR-ZWKOTPCHSA-N 1 2 378.900 3.711 20 30 GHEDLO CCOC(=O)[C@@H](c1ccc(Cl)cc1)[N@@H+](CC)C[C@@H](O)CC1(C#N)CCC1 ZINC001192525138 870486456 /nfs/dbraw/zinc/48/64/56/870486456.db2.gz IIALQUBXIITOMR-ZWKOTPCHSA-N 1 2 378.900 3.711 20 30 GHEDLO CCCCCCC[C@H](C)NC(=O)N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001192927472 870792337 /nfs/dbraw/zinc/79/23/37/870792337.db2.gz QAXIDAZPFACGSZ-SFHVURJKSA-N 1 2 392.592 3.783 20 30 GHEDLO CCCCCCC[C@H](C)NC(=O)N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001192927472 870792342 /nfs/dbraw/zinc/79/23/42/870792342.db2.gz QAXIDAZPFACGSZ-SFHVURJKSA-N 1 2 392.592 3.783 20 30 GHEDLO Cc1cc(C)nc(C[NH+]2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)c1 ZINC001168939653 871025149 /nfs/dbraw/zinc/02/51/49/871025149.db2.gz BKMSXGQSISYWNA-HXUWFJFHSA-N 1 2 399.336 3.843 20 30 GHEDLO N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1 ZINC000609112519 871214926 /nfs/dbraw/zinc/21/49/26/871214926.db2.gz FLEWYDYOHHFTBE-LJQANCHMSA-N 1 2 395.532 3.608 20 30 GHEDLO C=CCC[C@@H](O)C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccc(F)c1 ZINC001193772865 871273024 /nfs/dbraw/zinc/27/30/24/871273024.db2.gz MJFNICUNLKHGNV-MOPGFXCFSA-N 1 2 378.488 3.747 20 30 GHEDLO C=CCC[C@@H](O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccc(F)c1 ZINC001193772865 871273041 /nfs/dbraw/zinc/27/30/41/871273041.db2.gz MJFNICUNLKHGNV-MOPGFXCFSA-N 1 2 378.488 3.747 20 30 GHEDLO Cn1c2ccccc2n(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)c1=S ZINC000921030394 882516152 /nfs/dbraw/zinc/51/61/52/882516152.db2.gz OUSGMKNYRNTZSO-UHFFFAOYSA-N 1 2 377.517 3.751 20 30 GHEDLO Cn1c2ccccc2n(C[N@H+]2CCCN(c3ccccc3C#N)CC2)c1=S ZINC000921030394 882516159 /nfs/dbraw/zinc/51/61/59/882516159.db2.gz OUSGMKNYRNTZSO-UHFFFAOYSA-N 1 2 377.517 3.751 20 30 GHEDLO C[NH+]1CCN(c2ccc(C(=O)Nc3cc(C#N)cn3C(C)(C)C)cc2Cl)CC1 ZINC001194659473 871875657 /nfs/dbraw/zinc/87/56/57/871875657.db2.gz ZNYIOLJJQDXCQI-UHFFFAOYSA-N 1 2 399.926 3.772 20 30 GHEDLO COc1ccc(CO[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)cc1F ZINC000101907189 872359723 /nfs/dbraw/zinc/35/97/23/872359723.db2.gz WJXWBJDXFAPWFL-UHFFFAOYSA-N 1 2 381.407 3.645 20 30 GHEDLO C=CCOc1cc(OC)ccc1C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000463711353 872380227 /nfs/dbraw/zinc/38/02/27/872380227.db2.gz ZXOLXUUIYDTLJI-QGZVFWFLSA-N 1 2 396.487 3.906 20 30 GHEDLO C=CCN1CC[C@H]([NH+]2CCN(c3cc(Cl)c(Cl)c(Cl)c3)CC2)C1=O ZINC001195614401 872538595 /nfs/dbraw/zinc/53/85/95/872538595.db2.gz WLIDCUSKEXBQQJ-HNNXBMFYSA-N 1 2 388.726 3.556 20 30 GHEDLO CN(C)C(=O)Sc1ccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cc1 ZINC000121410224 872605588 /nfs/dbraw/zinc/60/55/88/872605588.db2.gz ZBCMBSZSKLZBQQ-OAQYLSRUSA-N 1 2 394.544 3.843 20 30 GHEDLO C[C@H](C#N)CNC(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000541016390 872763659 /nfs/dbraw/zinc/76/36/59/872763659.db2.gz PWTOTQWMQXXQBE-DYESRHJHSA-N 1 2 396.922 3.916 20 30 GHEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2Cc2ccccc2Cl)cc1 ZINC000478425022 873008840 /nfs/dbraw/zinc/00/88/40/873008840.db2.gz GWHLSKZMYRJRDC-SFHVURJKSA-N 1 2 388.920 3.692 20 30 GHEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2Cc2ccccc2Cl)cc1 ZINC000478425022 873008859 /nfs/dbraw/zinc/00/88/59/873008859.db2.gz GWHLSKZMYRJRDC-SFHVURJKSA-N 1 2 388.920 3.692 20 30 GHEDLO COc1ccc(C)cc1C[NH+]1CCN(Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000768201993 873137874 /nfs/dbraw/zinc/13/78/74/873137874.db2.gz WBPLUQMIUBCTHM-UHFFFAOYSA-N 1 2 392.547 3.671 20 30 GHEDLO N#CCCCNC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000541322292 873366836 /nfs/dbraw/zinc/36/68/36/873366836.db2.gz UNEBPYHKSKCPNU-UHFFFAOYSA-N 1 2 386.496 3.685 20 30 GHEDLO CCSc1cccc(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000494633811 882724422 /nfs/dbraw/zinc/72/44/22/882724422.db2.gz GLGOBLKEWVXKPA-UHFFFAOYSA-N 1 2 394.544 3.698 20 30 GHEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858027833 882751025 /nfs/dbraw/zinc/75/10/25/882751025.db2.gz XRNCUEBSUCPBED-SFHVURJKSA-N 1 2 378.432 3.782 20 30 GHEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858027833 882751035 /nfs/dbraw/zinc/75/10/35/882751035.db2.gz XRNCUEBSUCPBED-SFHVURJKSA-N 1 2 378.432 3.782 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)cc1C ZINC001197484316 873831594 /nfs/dbraw/zinc/83/15/94/873831594.db2.gz WPRSHUODQQSOBJ-WMZOPIPTSA-N 1 2 397.441 3.592 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)cc1C ZINC001197484316 873831606 /nfs/dbraw/zinc/83/16/06/873831606.db2.gz WPRSHUODQQSOBJ-WMZOPIPTSA-N 1 2 397.441 3.592 20 30 GHEDLO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@H](C)c1nc(C2CCCCC2)no1 ZINC000541681919 874118387 /nfs/dbraw/zinc/11/83/87/874118387.db2.gz JNEFGNCCOBANGV-LPHOPBHVSA-N 1 2 385.508 3.936 20 30 GHEDLO Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccn3cc[nH+]c3c2)cc1C ZINC001129481028 882852182 /nfs/dbraw/zinc/85/21/82/882852182.db2.gz LLNYMFLWPDGHHG-UHFFFAOYSA-N 1 2 384.443 3.981 20 30 GHEDLO C=CC1CCN(C(=O)N[C@H]2CC[N@@H+](CC)[C@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC000542048226 874850792 /nfs/dbraw/zinc/85/07/92/874850792.db2.gz VTKRJYSEFROQAT-HKUYNNGSSA-N 1 2 381.442 3.847 20 30 GHEDLO C=CC1CCN(C(=O)N[C@H]2CC[N@H+](CC)[C@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC000542048226 874850812 /nfs/dbraw/zinc/85/08/12/874850812.db2.gz VTKRJYSEFROQAT-HKUYNNGSSA-N 1 2 381.442 3.847 20 30 GHEDLO C#CCOc1ccccc1NC(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000776090342 875321743 /nfs/dbraw/zinc/32/17/43/875321743.db2.gz WJMPYHZFRZHCIS-GOSISDBHSA-N 1 2 393.487 3.618 20 30 GHEDLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3nc4ccccc4c(C)c3C#N)CC2)no1 ZINC000450469123 876480428 /nfs/dbraw/zinc/48/04/28/876480428.db2.gz QLXKAAFSGAMVJV-KRWDZBQOSA-N 1 2 390.491 3.597 20 30 GHEDLO Cc1nc(C[N@H+](C)[C@H]2CCCN(c3nc4ccccc4c(C)c3C#N)CC2)no1 ZINC000450469123 876480437 /nfs/dbraw/zinc/48/04/37/876480437.db2.gz QLXKAAFSGAMVJV-KRWDZBQOSA-N 1 2 390.491 3.597 20 30 GHEDLO COc1cccc(N2CC[NH+](Cc3cc(C#N)ccc3Br)CC2)c1 ZINC000492466591 876879883 /nfs/dbraw/zinc/87/98/83/876879883.db2.gz ZAJUKCVBFVPDCN-UHFFFAOYSA-N 1 2 386.293 3.652 20 30 GHEDLO C[NH+]1CCN(c2ccc(NCc3ccc(C#N)s3)cc2Br)CC1 ZINC000786835667 876955092 /nfs/dbraw/zinc/95/50/92/876955092.db2.gz FJFUCJXUYSMKBT-UHFFFAOYSA-N 1 2 391.338 3.746 20 30 GHEDLO Cc1cc(C(=O)NCCc2cn3cccc(C)c3[nH+]2)c(C)n1-c1ccc(C#N)cc1 ZINC000746641390 877181572 /nfs/dbraw/zinc/18/15/72/877181572.db2.gz VRLHOIZDCMKYHX-UHFFFAOYSA-N 1 2 397.482 3.894 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c(Br)c1 ZINC000451289679 877725841 /nfs/dbraw/zinc/72/58/41/877725841.db2.gz XZEKHCGFQMNTSD-HKUYNNGSSA-N 1 2 389.268 3.621 20 30 GHEDLO N#Cc1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c(Br)c1 ZINC000451289679 877725849 /nfs/dbraw/zinc/72/58/49/877725849.db2.gz XZEKHCGFQMNTSD-HKUYNNGSSA-N 1 2 389.268 3.621 20 30 GHEDLO C=CCOc1ccc(/C=C/C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1OC ZINC000179578730 877729974 /nfs/dbraw/zinc/72/99/74/877729974.db2.gz DJZCMQADHFIVNS-PKNBQFBNSA-N 1 2 389.455 3.775 20 30 GHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550407 878129419 /nfs/dbraw/zinc/12/94/19/878129419.db2.gz ROGBCBSIUSKIGJ-ICSRJNTNSA-N 1 2 379.416 3.560 20 30 GHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550407 878129431 /nfs/dbraw/zinc/12/94/31/878129431.db2.gz ROGBCBSIUSKIGJ-ICSRJNTNSA-N 1 2 379.416 3.560 20 30 GHEDLO N#Cc1sccc1N1CC[NH+](Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 ZINC000852341954 878265128 /nfs/dbraw/zinc/26/51/28/878265128.db2.gz AYNLUGISYMADSM-UHFFFAOYSA-N 1 2 391.496 3.537 20 30 GHEDLO COc1ccc(Br)c(CNN=Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000788725763 878278692 /nfs/dbraw/zinc/27/86/92/878278692.db2.gz LKKRRTRUYKXRHQ-UHFFFAOYSA-N 1 2 391.294 3.829 20 30 GHEDLO C=CC[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000493157340 878628114 /nfs/dbraw/zinc/62/81/14/878628114.db2.gz PPESVSKZVWDWPD-AWEZNQCLSA-N 1 2 398.854 3.973 20 30 GHEDLO C=CC[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000493157340 878628133 /nfs/dbraw/zinc/62/81/33/878628133.db2.gz PPESVSKZVWDWPD-AWEZNQCLSA-N 1 2 398.854 3.973 20 30 GHEDLO CC(C)(CCC#N)C[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C(F)(F)F)C1 ZINC000181075667 879670423 /nfs/dbraw/zinc/67/04/23/879670423.db2.gz UCDUPMOXFHPZOP-IAGOWNOFSA-N 1 2 399.432 3.992 20 30 GHEDLO CC(C)(CCC#N)C[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C(F)(F)F)C1 ZINC000181075667 879670432 /nfs/dbraw/zinc/67/04/32/879670432.db2.gz UCDUPMOXFHPZOP-IAGOWNOFSA-N 1 2 399.432 3.992 20 30 GHEDLO Cc1cc(C#N)ccc1S(=O)(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000790424852 879706188 /nfs/dbraw/zinc/70/61/88/879706188.db2.gz SNWAKMSVSFFWFP-UHFFFAOYSA-N 1 2 393.468 3.834 20 30 GHEDLO N#CCn1c(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc2ccccc21 ZINC000609166449 879963588 /nfs/dbraw/zinc/96/35/88/879963588.db2.gz CAVILPMFSWEASE-UHFFFAOYSA-N 1 2 385.427 3.693 20 30 GHEDLO Cc1c(Cl)c(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)nc2ccccc12 ZINC000791052231 880178587 /nfs/dbraw/zinc/17/85/87/880178587.db2.gz UIWZXFVTEVPWLM-UHFFFAOYSA-N 1 2 377.879 3.786 20 30 GHEDLO COCC[N@H+](CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)Cc1ccc(C#N)cc1 ZINC000531645989 880250094 /nfs/dbraw/zinc/25/00/94/880250094.db2.gz NQXYTCFFXGKLAN-KRWDZBQOSA-N 1 2 399.922 3.880 20 30 GHEDLO COCC[N@@H+](CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)Cc1ccc(C#N)cc1 ZINC000531645989 880250108 /nfs/dbraw/zinc/25/01/08/880250108.db2.gz NQXYTCFFXGKLAN-KRWDZBQOSA-N 1 2 399.922 3.880 20 30 GHEDLO CC[C@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2cc(C#N)ccc2Br)C1=O ZINC001275192473 912574190 /nfs/dbraw/zinc/57/41/90/912574190.db2.gz QGCBDMKCWZFSGZ-IFXJQAMLSA-N 1 2 390.325 3.686 20 30 GHEDLO CC[C@H](C)N1CC[C@]2(CCC[N@H+]2Cc2cc(C#N)ccc2Br)C1=O ZINC001275192473 912574204 /nfs/dbraw/zinc/57/42/04/912574204.db2.gz QGCBDMKCWZFSGZ-IFXJQAMLSA-N 1 2 390.325 3.686 20 30 GHEDLO CC(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2cc(C#N)ccc2Br)C1=O ZINC001275192514 912576076 /nfs/dbraw/zinc/57/60/76/912576076.db2.gz RHBYVRMGPYYRGJ-IBGZPJMESA-N 1 2 390.325 3.544 20 30 GHEDLO CC(C)CN1CC[C@@]2(CCC[N@H+]2Cc2cc(C#N)ccc2Br)C1=O ZINC001275192514 912576094 /nfs/dbraw/zinc/57/60/94/912576094.db2.gz RHBYVRMGPYYRGJ-IBGZPJMESA-N 1 2 390.325 3.544 20 30 GHEDLO CCn1cc([C@@H](O)C[N@H+](Cc2ccccc2)Cc2ccc(F)cc2C#N)cn1 ZINC000792366931 881057787 /nfs/dbraw/zinc/05/77/87/881057787.db2.gz XVKBUAFUHGZMPE-QFIPXVFZSA-N 1 2 378.451 3.650 20 30 GHEDLO CCn1cc([C@@H](O)C[N@@H+](Cc2ccccc2)Cc2ccc(F)cc2C#N)cn1 ZINC000792366931 881057807 /nfs/dbraw/zinc/05/78/07/881057807.db2.gz XVKBUAFUHGZMPE-QFIPXVFZSA-N 1 2 378.451 3.650 20 30 GHEDLO CCC1(CC)C[N@H+](Cc2ccc(OC)c(OCCCC#N)c2)CC[S@]1=O ZINC000187565455 881230294 /nfs/dbraw/zinc/23/02/94/881230294.db2.gz HPBVVXBIBNKTJL-AREMUKBSSA-N 1 2 378.538 3.501 20 30 GHEDLO CCC1(CC)C[N@@H+](Cc2ccc(OC)c(OCCCC#N)c2)CC[S@]1=O ZINC000187565455 881230304 /nfs/dbraw/zinc/23/03/04/881230304.db2.gz HPBVVXBIBNKTJL-AREMUKBSSA-N 1 2 378.538 3.501 20 30 GHEDLO C[C@H](NC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)c1ccc(C#N)cc1 ZINC000609546549 883338914 /nfs/dbraw/zinc/33/89/14/883338914.db2.gz ZJJYTAKNTPUJRF-YJBOKZPZSA-N 1 2 398.457 3.861 20 30 GHEDLO C[C@H](NC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)c1ccc(C#N)cc1 ZINC000609546549 883338930 /nfs/dbraw/zinc/33/89/30/883338930.db2.gz ZJJYTAKNTPUJRF-YJBOKZPZSA-N 1 2 398.457 3.861 20 30 GHEDLO C#C[C@@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccc(Cl)cc1F ZINC000804898923 883464262 /nfs/dbraw/zinc/46/42/62/883464262.db2.gz MQGNOMPVCPRIGI-HXUWFJFHSA-N 1 2 396.853 3.898 20 30 GHEDLO COc1ccc(C[NH2+][C@@H](c2nccn2C)c2ccccc2)cc1OCCCC#N ZINC000064613875 883752889 /nfs/dbraw/zinc/75/28/89/883752889.db2.gz GJVIHKBULWNEME-JOCHJYFZSA-N 1 2 390.487 3.990 20 30 GHEDLO N#Cc1cccc([C@@H]2C[N@H+](CCC(=O)N[C@@H]3CCCc4ccccc43)CCO2)c1 ZINC000761758977 884062344 /nfs/dbraw/zinc/06/23/44/884062344.db2.gz UXBDSFFHTYPCPB-PKTZIBPZSA-N 1 2 389.499 3.515 20 30 GHEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCC(=O)N[C@@H]3CCCc4ccccc43)CCO2)c1 ZINC000761758977 884062356 /nfs/dbraw/zinc/06/23/56/884062356.db2.gz UXBDSFFHTYPCPB-PKTZIBPZSA-N 1 2 389.499 3.515 20 30 GHEDLO C[C@@H](NC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)c1cccc(C#N)c1 ZINC000610351853 884088918 /nfs/dbraw/zinc/08/89/18/884088918.db2.gz KCSYTYSKTKNPNA-CRAIPNDOSA-N 1 2 398.457 3.861 20 30 GHEDLO C[C@@H](NC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)c1cccc(C#N)c1 ZINC000610351853 884088938 /nfs/dbraw/zinc/08/89/38/884088938.db2.gz KCSYTYSKTKNPNA-CRAIPNDOSA-N 1 2 398.457 3.861 20 30 GHEDLO Cc1ccc(NC(=O)[C@H](C)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(Cl)c1 ZINC000026467429 884261364 /nfs/dbraw/zinc/26/13/64/884261364.db2.gz HSRXTJNXSMMYGA-KRWDZBQOSA-N 1 2 396.922 3.665 20 30 GHEDLO Cc1cc(Cl)ccc1NC(=O)[C@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000026467414 884261700 /nfs/dbraw/zinc/26/17/00/884261700.db2.gz DGYMSPJIOXBDOF-KRWDZBQOSA-N 1 2 396.922 3.665 20 30 GHEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000806261043 884513062 /nfs/dbraw/zinc/51/30/62/884513062.db2.gz CYKIYSWPHOSRBC-FQEVSTJZSA-N 1 2 388.471 3.718 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC(F)(F)C1 ZINC001183841918 912845756 /nfs/dbraw/zinc/84/57/56/912845756.db2.gz PYWLGLQPDATGLM-LPHOPBHVSA-N 1 2 375.463 3.854 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC(F)(F)C1 ZINC001183841918 912845776 /nfs/dbraw/zinc/84/57/76/912845776.db2.gz PYWLGLQPDATGLM-LPHOPBHVSA-N 1 2 375.463 3.854 20 30 GHEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000806550560 884802714 /nfs/dbraw/zinc/80/27/14/884802714.db2.gz MBBHTFSMEPTNAC-UHFFFAOYSA-N 1 2 392.507 3.938 20 30 GHEDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000806619548 884859186 /nfs/dbraw/zinc/85/91/86/884859186.db2.gz GVCURMXNCJGIRF-HNNXBMFYSA-N 1 2 390.285 3.754 20 30 GHEDLO N#Cc1ccc(Oc2cccc(C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)c2)cc1 ZINC000152392043 884994580 /nfs/dbraw/zinc/99/45/80/884994580.db2.gz OJAIOHBIUWRNIO-IBGZPJMESA-N 1 2 384.439 3.754 20 30 GHEDLO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)Cc1cnn(C)c1 ZINC000103474513 885024547 /nfs/dbraw/zinc/02/45/47/885024547.db2.gz AYHXICNQZGJLTB-UHFFFAOYSA-N 1 2 396.539 3.676 20 30 GHEDLO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)Cc1cnn(C)c1 ZINC000103474513 885024563 /nfs/dbraw/zinc/02/45/63/885024563.db2.gz AYHXICNQZGJLTB-UHFFFAOYSA-N 1 2 396.539 3.676 20 30 GHEDLO N#Cc1ccccc1-c1ccc(C[NH+]2CCN(C(=O)c3ccccn3)CC2)cc1 ZINC000556582386 885553022 /nfs/dbraw/zinc/55/30/22/885553022.db2.gz LXZCHUKHUXGFOR-UHFFFAOYSA-N 1 2 382.467 3.578 20 30 GHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000476447473 885850177 /nfs/dbraw/zinc/85/01/77/885850177.db2.gz MVPMDAGHDPJEDR-UHFFFAOYSA-N 1 2 384.386 3.921 20 30 GHEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3ccc(CC#N)cc3)CC2)c1 ZINC000171364647 886538817 /nfs/dbraw/zinc/53/88/17/886538817.db2.gz AQRXLPNPWGUXLQ-KRWDZBQOSA-N 1 2 378.476 3.672 20 30 GHEDLO N#CCC[C@H](NC(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1ccccc1 ZINC000131944947 886611441 /nfs/dbraw/zinc/61/14/41/886611441.db2.gz BGUZXYZGDPAJOJ-NRFANRHFSA-N 1 2 387.487 3.818 20 30 GHEDLO C[C@H](c1nnc(SCc2cncc(C#N)c2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000915465372 886715523 /nfs/dbraw/zinc/71/55/23/886715523.db2.gz ASBPXPIFVXKGII-CYBMUJFWSA-N 1 2 382.468 3.588 20 30 GHEDLO N#Cc1ccc(NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1Br ZINC000487987225 887180450 /nfs/dbraw/zinc/18/04/50/887180450.db2.gz BLJGNQMYXHJUJF-UHFFFAOYSA-N 1 2 396.248 3.828 20 30 GHEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cccc(C(F)(F)F)c1Cl ZINC001275301879 913131151 /nfs/dbraw/zinc/13/11/51/913131151.db2.gz JTURQPMOIFTUMO-GOSISDBHSA-N 1 2 384.829 3.949 20 30 GHEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(C(F)(F)F)c1Cl ZINC001275301879 913131164 /nfs/dbraw/zinc/13/11/64/913131164.db2.gz JTURQPMOIFTUMO-GOSISDBHSA-N 1 2 384.829 3.949 20 30 GHEDLO C[NH+](C)Cc1cnc(/C=C2/COc3cc(Br)ccc3C2=O)s1 ZINC000794709757 887958154 /nfs/dbraw/zinc/95/81/54/887958154.db2.gz COYCTBBZNZLARN-YHYXMXQVSA-N 1 2 379.279 3.626 20 30 GHEDLO CC(C)(C)OC(=O)N1CCCc2c(C[NH2+]Cc3nc(C#N)cs3)cccc21 ZINC000810157733 888247044 /nfs/dbraw/zinc/24/70/44/888247044.db2.gz TULMEZMOFUVZCB-UHFFFAOYSA-N 1 2 384.505 3.992 20 30 GHEDLO C[C@H](c1nc2ccccc2s1)N1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000763233772 888377435 /nfs/dbraw/zinc/37/74/35/888377435.db2.gz NYJRXXYUIAPXQI-OXQOHEQNSA-N 1 2 392.528 3.580 20 30 GHEDLO Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000532762532 888900439 /nfs/dbraw/zinc/90/04/39/888900439.db2.gz FRYUUNXMYBOSCM-QGZVFWFLSA-N 1 2 397.519 3.976 20 30 GHEDLO C=CCn1c(-c2ccco2)nn(CN2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1=S ZINC000121655822 889075433 /nfs/dbraw/zinc/07/54/33/889075433.db2.gz YVHRCIYCQPXRMD-CVEARBPZSA-N 1 2 384.509 3.597 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000811458509 889618504 /nfs/dbraw/zinc/61/85/04/889618504.db2.gz MZHQAWLCWZKNPX-HOTGVXAUSA-N 1 2 376.526 3.769 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCC[N@H+]1Cc1nc(C#N)cs1 ZINC000811458509 889618506 /nfs/dbraw/zinc/61/85/06/889618506.db2.gz MZHQAWLCWZKNPX-HOTGVXAUSA-N 1 2 376.526 3.769 20 30 GHEDLO C=CCOc1ccc(/C=C\C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1OC ZINC000869315634 889880113 /nfs/dbraw/zinc/88/01/13/889880113.db2.gz FHQQGESYZFQUSE-CLFYSBASSA-N 1 2 393.487 3.585 20 30 GHEDLO COc1ccc(-c2csc(NC(=O)C[N@H+](C)Cc3cccc(C#N)c3)n2)cc1 ZINC000026327326 890382421 /nfs/dbraw/zinc/38/24/21/890382421.db2.gz SBCPZFCMJGPZKS-UHFFFAOYSA-N 1 2 392.484 3.761 20 30 GHEDLO COc1ccc(-c2csc(NC(=O)C[N@@H+](C)Cc3cccc(C#N)c3)n2)cc1 ZINC000026327326 890382433 /nfs/dbraw/zinc/38/24/33/890382433.db2.gz SBCPZFCMJGPZKS-UHFFFAOYSA-N 1 2 392.484 3.761 20 30 GHEDLO Cc1ccc([C@@H](C)NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1F ZINC000455157312 890441580 /nfs/dbraw/zinc/44/15/80/890441580.db2.gz DRTIUKFDOUTHKV-QGZVFWFLSA-N 1 2 380.467 3.594 20 30 GHEDLO C[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@H]1CCCc2ccccc21 ZINC000917046813 890769774 /nfs/dbraw/zinc/76/97/74/890769774.db2.gz PZSDKJYGOIBZAR-ICSRJNTNSA-N 1 2 386.455 3.521 20 30 GHEDLO C[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@H]1CCCc2ccccc21 ZINC000917046813 890769789 /nfs/dbraw/zinc/76/97/89/890769789.db2.gz PZSDKJYGOIBZAR-ICSRJNTNSA-N 1 2 386.455 3.521 20 30 GHEDLO C#C[C@@H](NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccc(F)cc1 ZINC000812939100 891151983 /nfs/dbraw/zinc/15/19/83/891151983.db2.gz UMMDSEDEXWIREP-HXUWFJFHSA-N 1 2 380.467 3.622 20 30 GHEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000287948870 913600167 /nfs/dbraw/zinc/60/01/67/913600167.db2.gz XZFRYSQNHRKUMT-AWEZNQCLSA-N 1 2 386.297 3.627 20 30 GHEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000287948870 913600177 /nfs/dbraw/zinc/60/01/77/913600177.db2.gz XZFRYSQNHRKUMT-AWEZNQCLSA-N 1 2 386.297 3.627 20 30 GHEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000192464949 892496715 /nfs/dbraw/zinc/49/67/15/892496715.db2.gz INSDYUOAHNTQRT-OAHLLOKOSA-N 1 2 379.435 3.619 20 30 GHEDLO Cc1ccc(N2CC[N@H+](Cc3nnc(-c4cccc(C#N)c4)o3)[C@H](C)C2)cc1C ZINC000747967186 893028059 /nfs/dbraw/zinc/02/80/59/893028059.db2.gz DQMKHXBPYMYQCC-GOSISDBHSA-N 1 2 387.487 3.936 20 30 GHEDLO Cc1ccc(N2CC[N@@H+](Cc3nnc(-c4cccc(C#N)c4)o3)[C@H](C)C2)cc1C ZINC000747967186 893028079 /nfs/dbraw/zinc/02/80/79/893028079.db2.gz DQMKHXBPYMYQCC-GOSISDBHSA-N 1 2 387.487 3.936 20 30 GHEDLO O=C(C[NH+]1CCC2(CC1)CC(=O)C=CO2)Nc1ccccc1Cc1ccccc1 ZINC000933650166 893115244 /nfs/dbraw/zinc/11/52/44/893115244.db2.gz MBKSTRGCTIGNNN-UHFFFAOYSA-N 1 2 390.483 3.554 20 30 GHEDLO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933650283 893116714 /nfs/dbraw/zinc/11/67/14/893116714.db2.gz PJPNLRSHDPTWOI-LBPRGKRZSA-N 1 2 383.275 3.658 20 30 GHEDLO CC(=[NH+]Nc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1)c1ccc(N)nc1 ZINC000814738288 893133154 /nfs/dbraw/zinc/13/31/54/893133154.db2.gz VFWNPIRDDUPWMG-UHFFFAOYSA-N 1 2 380.473 3.641 20 30 GHEDLO COc1ccccc1-c1noc([C@@H](C)[NH2+]Cc2cc(C#N)ccc2N(C)C)n1 ZINC000877470801 893627416 /nfs/dbraw/zinc/62/74/16/893627416.db2.gz MXACWABJUAOWCH-CQSZACIVSA-N 1 2 377.448 3.534 20 30 GHEDLO N#Cc1cnc(Cl)c(C[NH+]2CCC(CNC(=O)OCc3ccccc3)CC2)c1 ZINC000877482666 893638621 /nfs/dbraw/zinc/63/86/21/893638621.db2.gz LUURMLZWJPJHOO-UHFFFAOYSA-N 1 2 398.894 3.745 20 30 GHEDLO CC(=O)[C@@](C#N)(CC[NH+]1CCN(C/C=C/c2ccccc2)CC1)c1ccccc1 ZINC000877948320 893908977 /nfs/dbraw/zinc/90/89/77/893908977.db2.gz SMBMGQAXAAMQOW-HGJFNOKFSA-N 1 2 387.527 3.758 20 30 GHEDLO CC(=O)[C@@](C#N)(CCN1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccccc1 ZINC000877948320 893908994 /nfs/dbraw/zinc/90/89/94/893908994.db2.gz SMBMGQAXAAMQOW-HGJFNOKFSA-N 1 2 387.527 3.758 20 30 GHEDLO CC(=O)[C@](C#N)(CC[N@@H+]1CCc2c(cnn2-c2ccccc2)C1)c1ccccc1 ZINC000877960198 893915223 /nfs/dbraw/zinc/91/52/23/893915223.db2.gz HSLULEPTAZXWCY-XMMPIXPASA-N 1 2 384.483 3.671 20 30 GHEDLO CC(=O)[C@](C#N)(CC[N@H+]1CCc2c(cnn2-c2ccccc2)C1)c1ccccc1 ZINC000877960198 893915234 /nfs/dbraw/zinc/91/52/34/893915234.db2.gz HSLULEPTAZXWCY-XMMPIXPASA-N 1 2 384.483 3.671 20 30 GHEDLO C=CCN(CCc1ccco1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000498282001 893919114 /nfs/dbraw/zinc/91/91/14/893919114.db2.gz PSJKJXBLDXGSQT-UXHICEINSA-N 1 2 389.446 3.743 20 30 GHEDLO C=CCN(CCc1ccco1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000498282001 893919120 /nfs/dbraw/zinc/91/91/20/893919120.db2.gz PSJKJXBLDXGSQT-UXHICEINSA-N 1 2 389.446 3.743 20 30 GHEDLO CCOC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000459695436 894086516 /nfs/dbraw/zinc/08/65/16/894086516.db2.gz ATQDJOXRSLGBCL-SJORKVTESA-N 1 2 375.538 3.768 20 30 GHEDLO CCOC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000459695436 894086531 /nfs/dbraw/zinc/08/65/31/894086531.db2.gz ATQDJOXRSLGBCL-SJORKVTESA-N 1 2 375.538 3.768 20 30 GHEDLO C[C@H](C#N)CN(Cc1cc(C#N)cc(C[N@H+](C[C@H](C)C#N)C2CC2)c1)C1CC1 ZINC000878298997 894175896 /nfs/dbraw/zinc/17/58/96/894175896.db2.gz MHLKSGPTSMLNQM-QZTJIDSGSA-N 1 2 375.520 3.806 20 30 GHEDLO C[C@H](C#N)CN(Cc1cc(C#N)cc(C[N@@H+](C[C@H](C)C#N)C2CC2)c1)C1CC1 ZINC000878298997 894175902 /nfs/dbraw/zinc/17/59/02/894175902.db2.gz MHLKSGPTSMLNQM-QZTJIDSGSA-N 1 2 375.520 3.806 20 30 GHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@@H](C)c2ccn(C)n2)c1C#N ZINC000459781040 894180561 /nfs/dbraw/zinc/18/05/61/894180561.db2.gz GVXQGRDNXUJXGW-HNNXBMFYSA-N 1 2 382.512 3.505 20 30 GHEDLO C[C@@H]1CN(Cc2cccc(C#N)c2F)[C@@H](C)C[N@@H+]1Cc1cccc(C#N)c1F ZINC000537037105 894247215 /nfs/dbraw/zinc/24/72/15/894247215.db2.gz OGRLCUDBOCPJHF-IYBDPMFKSA-N 1 2 380.442 3.803 20 30 GHEDLO C[C@@H]1CN(Cc2cccc(C#N)c2F)[C@@H](C)C[N@H+]1Cc1cccc(C#N)c1F ZINC000537037105 894247226 /nfs/dbraw/zinc/24/72/26/894247226.db2.gz OGRLCUDBOCPJHF-IYBDPMFKSA-N 1 2 380.442 3.803 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2F)[C@@H](C)CN1Cc1cccc(C#N)c1F ZINC000537037105 894247243 /nfs/dbraw/zinc/24/72/43/894247243.db2.gz OGRLCUDBOCPJHF-IYBDPMFKSA-N 1 2 380.442 3.803 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2F)[C@@H](C)CN1Cc1cccc(C#N)c1F ZINC000537037105 894247254 /nfs/dbraw/zinc/24/72/54/894247254.db2.gz OGRLCUDBOCPJHF-IYBDPMFKSA-N 1 2 380.442 3.803 20 30 GHEDLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)Nc2cc(C)n(CCC#N)n2)CC1 ZINC000879078375 894823677 /nfs/dbraw/zinc/82/36/77/894823677.db2.gz PWLDOALKLMMTBW-IBGZPJMESA-N 1 2 398.486 3.545 20 30 GHEDLO COC(=O)[C@](C)(Cc1ccc(Cl)cc1)[NH2+]CCCC1(C#N)CCOCC1 ZINC000879401109 895033321 /nfs/dbraw/zinc/03/33/21/895033321.db2.gz KSSOYRSTCOPNTE-IBGZPJMESA-N 1 2 378.900 3.504 20 30 GHEDLO CC[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1cccc(OC)c1OC ZINC000879464994 895075074 /nfs/dbraw/zinc/07/50/74/895075074.db2.gz YWRLRBXRCGIALT-KRWDZBQOSA-N 1 2 378.432 3.866 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3(Cc4cccc(F)c4)CCC3)CC2)cc1 ZINC000476079529 895114295 /nfs/dbraw/zinc/11/42/95/895114295.db2.gz KUJWMMHWHQCTAB-UHFFFAOYSA-N 1 2 391.490 3.755 20 30 GHEDLO Cc1cc(OCc2cccc(Cl)c2)ccc1NC[C@H](O)C[N@H+](C)CCC#N ZINC000819434535 896665352 /nfs/dbraw/zinc/66/53/52/896665352.db2.gz PTCQWXQDXDTFBD-IBGZPJMESA-N 1 2 387.911 3.846 20 30 GHEDLO Cc1cc(OCc2cccc(Cl)c2)ccc1NC[C@H](O)C[N@@H+](C)CCC#N ZINC000819434535 896665359 /nfs/dbraw/zinc/66/53/59/896665359.db2.gz PTCQWXQDXDTFBD-IBGZPJMESA-N 1 2 387.911 3.846 20 30 GHEDLO CCn1c2ccccc2c(C(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)c1-c1ccccc1 ZINC000646031668 914200892 /nfs/dbraw/zinc/20/08/92/914200892.db2.gz BGSSEQSMCAXUDF-DEOSSOPVSA-N 1 2 387.483 3.861 20 30 GHEDLO CCn1c2ccccc2c(C(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)c1-c1ccccc1 ZINC000646031668 914200905 /nfs/dbraw/zinc/20/09/05/914200905.db2.gz BGSSEQSMCAXUDF-DEOSSOPVSA-N 1 2 387.483 3.861 20 30 GHEDLO C#CCCOc1ccc(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000822576363 898488627 /nfs/dbraw/zinc/48/86/27/898488627.db2.gz ARHXYOBHORYCBP-RTBURBONSA-N 1 2 392.499 3.950 20 30 GHEDLO N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC000156122222 899401405 /nfs/dbraw/zinc/40/14/05/899401405.db2.gz ZWKZDMUHCXRMNR-UHFFFAOYSA-N 1 2 393.346 3.530 20 30 GHEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1cc(Br)c(F)cc1F)CC2 ZINC001136851073 899516620 /nfs/dbraw/zinc/51/66/20/899516620.db2.gz PUTJQFVAYRVRRF-UHFFFAOYSA-N 1 2 399.279 3.870 20 30 GHEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cccc(-c2ccc(Br)cc2)c1 ZINC000571278431 899812767 /nfs/dbraw/zinc/81/27/67/899812767.db2.gz XEBBHNZPRNDSBB-LJQANCHMSA-N 1 2 388.309 3.734 20 30 GHEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cccc(-c2ccc(Br)cc2)c1 ZINC000571278431 899812775 /nfs/dbraw/zinc/81/27/75/899812775.db2.gz XEBBHNZPRNDSBB-LJQANCHMSA-N 1 2 388.309 3.734 20 30 GHEDLO CN(CCC#N)c1ccc(C[N@@H+]2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)cc1 ZINC000289932360 914433858 /nfs/dbraw/zinc/43/38/58/914433858.db2.gz WMSCIIKOPWFMIP-WOJBJXKFSA-N 1 2 395.507 3.998 20 30 GHEDLO CN(CCC#N)c1ccc(C[N@H+]2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)cc1 ZINC000289932360 914433872 /nfs/dbraw/zinc/43/38/72/914433872.db2.gz WMSCIIKOPWFMIP-WOJBJXKFSA-N 1 2 395.507 3.998 20 30 GHEDLO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3c(Cl)cccc3C#N)C[C@H]12 ZINC001143723283 900442508 /nfs/dbraw/zinc/44/25/08/900442508.db2.gz OYBKETHAPAUMDE-XZOQPEGZSA-N 1 2 393.918 3.976 20 30 GHEDLO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@@H+](Cc3c(Cl)cccc3C#N)C[C@H]12 ZINC001143723283 900442513 /nfs/dbraw/zinc/44/25/13/900442513.db2.gz OYBKETHAPAUMDE-XZOQPEGZSA-N 1 2 393.918 3.976 20 30 GHEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CC[C@H]2O[C@@H](COCc3ccccn3)CC[C@H]21 ZINC001143724475 900444297 /nfs/dbraw/zinc/44/42/97/900444297.db2.gz XMUUZJUUNSRUJP-STZQEDGTSA-N 1 2 397.906 3.945 20 30 GHEDLO N#Cc1cccc(Cl)c1C[N@H+]1CC[C@H]2O[C@@H](COCc3ccccn3)CC[C@H]21 ZINC001143724475 900444302 /nfs/dbraw/zinc/44/43/02/900444302.db2.gz XMUUZJUUNSRUJP-STZQEDGTSA-N 1 2 397.906 3.945 20 30 GHEDLO N#Cc1cc(NC(=O)[C@@H]2Cc3ccccc3C[N@@H+]2Cc2ccccc2)ccc1O ZINC001186317030 914468536 /nfs/dbraw/zinc/46/85/36/914468536.db2.gz VRSCKPZMYIJPQX-QFIPXVFZSA-N 1 2 383.451 3.829 20 30 GHEDLO N#Cc1cc(NC(=O)[C@@H]2Cc3ccccc3C[N@H+]2Cc2ccccc2)ccc1O ZINC001186317030 914468540 /nfs/dbraw/zinc/46/85/40/914468540.db2.gz VRSCKPZMYIJPQX-QFIPXVFZSA-N 1 2 383.451 3.829 20 30 GHEDLO COCC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(C#N)cc1 ZINC000057567036 900890688 /nfs/dbraw/zinc/89/06/88/900890688.db2.gz IYSJLBACJLJUJL-UHFFFAOYSA-N 1 2 391.393 3.664 20 30 GHEDLO COCC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(C#N)cc1 ZINC000057567036 900890697 /nfs/dbraw/zinc/89/06/97/900890697.db2.gz IYSJLBACJLJUJL-UHFFFAOYSA-N 1 2 391.393 3.664 20 30 GHEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000574995660 901077768 /nfs/dbraw/zinc/07/77/68/901077768.db2.gz HVRPYLUMYMTHIA-OAQYLSRUSA-N 1 2 390.443 3.650 20 30 GHEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000574995660 901077773 /nfs/dbraw/zinc/07/77/73/901077773.db2.gz HVRPYLUMYMTHIA-OAQYLSRUSA-N 1 2 390.443 3.650 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000126792210 902370122 /nfs/dbraw/zinc/37/01/22/902370122.db2.gz OFUTWPAHNSRXFV-FXAWDEMLSA-N 1 2 395.528 3.920 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000126792210 902370133 /nfs/dbraw/zinc/37/01/33/902370133.db2.gz OFUTWPAHNSRXFV-FXAWDEMLSA-N 1 2 395.528 3.920 20 30 GHEDLO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1cc(F)c(O)cc1F)CC2 ZINC001144646725 902551051 /nfs/dbraw/zinc/55/10/51/902551051.db2.gz IIVQDZHZOBZWAT-UHFFFAOYSA-N 1 2 380.435 3.671 20 30 GHEDLO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCn2c(COc3cccnc3)cnc2[C@@H]1C ZINC001171215958 902721250 /nfs/dbraw/zinc/72/12/50/902721250.db2.gz FEZRYKFBNWXRCC-MSOLQXFVSA-N 1 2 387.487 3.737 20 30 GHEDLO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCn2c(COc3cccnc3)cnc2[C@@H]1C ZINC001171215958 902721258 /nfs/dbraw/zinc/72/12/58/902721258.db2.gz FEZRYKFBNWXRCC-MSOLQXFVSA-N 1 2 387.487 3.737 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)CSc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000264027916 902785796 /nfs/dbraw/zinc/78/57/96/902785796.db2.gz UFWHEDNXTNBXEE-CALCHBBNSA-N 1 2 395.528 3.898 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)CSc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000264027916 902785808 /nfs/dbraw/zinc/78/58/08/902785808.db2.gz UFWHEDNXTNBXEE-CALCHBBNSA-N 1 2 395.528 3.898 20 30 GHEDLO N#Cc1ccc(Oc2cccc(NC(=O)[C@H]3CCC[N@@H+]3Cc3ccccn3)c2)nc1 ZINC001147700314 903856377 /nfs/dbraw/zinc/85/63/77/903856377.db2.gz KJSVABYIMXNCJI-OAQYLSRUSA-N 1 2 399.454 3.744 20 30 GHEDLO N#Cc1ccc(Oc2cccc(NC(=O)[C@H]3CCC[N@H+]3Cc3ccccn3)c2)nc1 ZINC001147700314 903856386 /nfs/dbraw/zinc/85/63/86/903856386.db2.gz KJSVABYIMXNCJI-OAQYLSRUSA-N 1 2 399.454 3.744 20 30 GHEDLO C#CCOc1cccc(NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282757795 904302304 /nfs/dbraw/zinc/30/23/04/904302304.db2.gz OORFUAYBCCQSPM-KRWDZBQOSA-N 1 2 378.476 3.643 20 30 GHEDLO N#Cc1ccc(C2(NC(=O)N[C@H](Cn3cc[nH+]c3)c3ccccc3)CCC2)cc1 ZINC000890244207 904953431 /nfs/dbraw/zinc/95/34/31/904953431.db2.gz BQODKZXXBZRYOX-OAQYLSRUSA-N 1 2 385.471 3.875 20 30 GHEDLO CC(C)c1noc([C@H](C)O[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)n1 ZINC000174116187 905205323 /nfs/dbraw/zinc/20/53/23/905205323.db2.gz QNGUTSWOGVECKN-AWEZNQCLSA-N 1 2 381.436 3.565 20 30 GHEDLO C[C@H](CCCC#N)[N@@H+]1CCc2c(nnn2CC2CC2)[C@H]1COCc1ccccc1 ZINC001172498269 905599652 /nfs/dbraw/zinc/59/96/52/905599652.db2.gz KGPQWFYEPWVJJM-XMSQKQJNSA-N 1 2 393.535 3.886 20 30 GHEDLO C[C@H](CCCC#N)[N@H+]1CCc2c(nnn2CC2CC2)[C@H]1COCc1ccccc1 ZINC001172498269 905599668 /nfs/dbraw/zinc/59/96/68/905599668.db2.gz KGPQWFYEPWVJJM-XMSQKQJNSA-N 1 2 393.535 3.886 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000801582217 921160696 /nfs/dbraw/zinc/16/06/96/921160696.db2.gz SWLYDQIOAZGYSE-HSZRJFAPSA-N 1 2 396.556 3.929 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000801582217 921160704 /nfs/dbraw/zinc/16/07/04/921160704.db2.gz SWLYDQIOAZGYSE-HSZRJFAPSA-N 1 2 396.556 3.929 20 30 GHEDLO O=C(NCCC[N@@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1)C(F)(F)F ZINC000801589722 921170863 /nfs/dbraw/zinc/17/08/63/921170863.db2.gz UUHGDHSOVCMWPD-AWEZNQCLSA-N 1 2 386.311 3.645 20 30 GHEDLO O=C(NCCC[N@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1)C(F)(F)F ZINC000801589722 921170867 /nfs/dbraw/zinc/17/08/67/921170867.db2.gz UUHGDHSOVCMWPD-AWEZNQCLSA-N 1 2 386.311 3.645 20 30 GHEDLO CO[C@H](C)c1nc(CO[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)cs1 ZINC000177571465 906167861 /nfs/dbraw/zinc/16/78/61/906167861.db2.gz OEGVFIVRTBZFAU-CQSZACIVSA-N 1 2 398.488 3.662 20 30 GHEDLO CC(C)n1c[nH+]cc1/C=C1/CN(C(=O)C(F)(F)F)Cc2ccccc2C1=O ZINC000901539912 921338305 /nfs/dbraw/zinc/33/83/05/921338305.db2.gz RUTIGZUVSHDYIL-AUWJEWJLSA-N 1 2 377.366 3.635 20 30 GHEDLO C[C@H](C#N)OCCSc1nnc([C@@H](C)[NH+]2CCCCC2)n1-c1ccccc1 ZINC000801655625 921361349 /nfs/dbraw/zinc/36/13/49/921361349.db2.gz FZDGUCYEGPKTSQ-IAGOWNOFSA-N 1 2 385.537 3.835 20 30 GHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000266450030 909169141 /nfs/dbraw/zinc/16/91/41/909169141.db2.gz QLVWQYCSBSRQJI-GOSISDBHSA-N 1 2 391.519 3.962 20 30 GHEDLO C[C@@H](C#N)OCCN1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000801934789 921646870 /nfs/dbraw/zinc/64/68/70/921646870.db2.gz QZTBHHIBCJDLTA-PGRDOPGGSA-N 1 2 383.923 3.976 20 30 GHEDLO Cc1cccc(NC(=O)N2CC[NH+](Cc3ccc(O[C@H](C)C#N)cc3)CC2)c1 ZINC000092760006 911779681 /nfs/dbraw/zinc/77/96/81/911779681.db2.gz SCWYHBXTEKZOKF-GOSISDBHSA-N 1 2 378.476 3.636 20 30 GHEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(Oc3ccc(F)cc3)CC2)cc1Cl ZINC000303621653 915001527 /nfs/dbraw/zinc/00/15/27/915001527.db2.gz DDJBMRYSNMPEFW-UHFFFAOYSA-N 1 2 387.842 3.833 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000292210115 915562832 /nfs/dbraw/zinc/56/28/32/915562832.db2.gz TYGDWWMSILWULF-AEFFLSMTSA-N 1 2 387.549 3.768 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000292210115 915562837 /nfs/dbraw/zinc/56/28/37/915562837.db2.gz TYGDWWMSILWULF-AEFFLSMTSA-N 1 2 387.549 3.768 20 30 GHEDLO CN(C)c1[nH+]ccc2c1CN(c1c(C#N)cnc3c(F)c(F)c(F)cc31)CC2 ZINC001187904909 915586174 /nfs/dbraw/zinc/58/61/74/915586174.db2.gz TUPNYFISYJFBIQ-UHFFFAOYSA-N 1 2 383.377 3.547 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1cc(Cl)ccc1Cl)C2 ZINC001275728173 916457962 /nfs/dbraw/zinc/45/79/62/916457962.db2.gz UCFXPJUAMMQNTB-LJQANCHMSA-N 1 2 383.319 3.620 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cc(Cl)ccc1Cl)C2 ZINC001275728173 916457970 /nfs/dbraw/zinc/45/79/70/916457970.db2.gz UCFXPJUAMMQNTB-LJQANCHMSA-N 1 2 383.319 3.620 20 30 GHEDLO C[C@@H]1C[NH+](CCN(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C[C@@H](C)O1 ZINC001191637110 918086541 /nfs/dbraw/zinc/08/65/41/918086541.db2.gz ZYWWFSVSQFTWEJ-RTBURBONSA-N 1 2 381.495 3.809 20 30 GHEDLO Cc1ccc(S(=O)(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)[C@@H]2C)c(C#N)c1 ZINC001192036015 918368640 /nfs/dbraw/zinc/36/86/40/918368640.db2.gz IZKRKOLLJGUPRP-FHWLQOOXSA-N 1 2 397.544 3.539 20 30 GHEDLO Cc1ccc(S(=O)(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@@H](C)[C@@H]2C)c(C#N)c1 ZINC001192036015 918368646 /nfs/dbraw/zinc/36/86/46/918368646.db2.gz IZKRKOLLJGUPRP-FHWLQOOXSA-N 1 2 397.544 3.539 20 30 GHEDLO COc1ccccc1Oc1ccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000115599974 919459454 /nfs/dbraw/zinc/45/94/54/919459454.db2.gz JYVUGBJEVKENPS-QFIPXVFZSA-N 1 2 387.439 3.675 20 30 GHEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](C[C@H](O)c2ccccc2Cl)CC1 ZINC000800383076 920009013 /nfs/dbraw/zinc/00/90/13/920009013.db2.gz MGLOSOSBUAIPIB-PMACEKPBSA-N 1 2 390.314 3.909 20 30 GHEDLO CN(CCCn1cc[nH+]c1)C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000367466075 922121335 /nfs/dbraw/zinc/12/13/35/922121335.db2.gz RBVMYTQSHINTFF-UHFFFAOYSA-N 1 2 399.926 3.563 20 30 GHEDLO N#CCCCN1C(=O)[C@@]2(CC[N@@H+](Cc3csc(Cl)n3)C2)c2ccccc21 ZINC001276038883 924648831 /nfs/dbraw/zinc/64/88/31/924648831.db2.gz KCEOBJMGLLASDO-LJQANCHMSA-N 1 2 386.908 3.591 20 30 GHEDLO N#CCCCN1C(=O)[C@@]2(CC[N@H+](Cc3csc(Cl)n3)C2)c2ccccc21 ZINC001276038883 924648836 /nfs/dbraw/zinc/64/88/36/924648836.db2.gz KCEOBJMGLLASDO-LJQANCHMSA-N 1 2 386.908 3.591 20 30 GHEDLO C=C(C)COc1cc(C[NH+]2CCN(c3nccc(C(C)C)n3)CC2)ccc1OC ZINC000681084243 925717840 /nfs/dbraw/zinc/71/78/40/925717840.db2.gz OOCYYXOBBLTVIM-UHFFFAOYSA-N 1 2 396.535 3.886 20 30 GHEDLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cscc1C#N ZINC000410601879 925751882 /nfs/dbraw/zinc/75/18/82/925751882.db2.gz KBBPYZFZWFKGHT-YWZLYKJASA-N 1 2 382.533 3.696 20 30 GHEDLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cscc1C#N ZINC000410601879 925751887 /nfs/dbraw/zinc/75/18/87/925751887.db2.gz KBBPYZFZWFKGHT-YWZLYKJASA-N 1 2 382.533 3.696 20 30 GHEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000411977491 926951563 /nfs/dbraw/zinc/95/15/63/926951563.db2.gz AVCIXTZCVALISH-SFHVURJKSA-N 1 2 381.501 3.784 20 30 GHEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000411977491 926951569 /nfs/dbraw/zinc/95/15/69/926951569.db2.gz AVCIXTZCVALISH-SFHVURJKSA-N 1 2 381.501 3.784 20 30 GHEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 ZINC000411983195 926974845 /nfs/dbraw/zinc/97/48/45/926974845.db2.gz FKJLCBLPAZXFGT-WQTXXOFMSA-N 1 2 377.463 3.706 20 30 GHEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ncc(C(F)(F)F)cc1Cl ZINC001276191531 927035777 /nfs/dbraw/zinc/03/57/77/927035777.db2.gz LFJMNKGPTBMUOS-KRWDZBQOSA-N 1 2 387.833 3.897 20 30 GHEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ncc(C(F)(F)F)cc1Cl ZINC001276191531 927035790 /nfs/dbraw/zinc/03/57/90/927035790.db2.gz LFJMNKGPTBMUOS-KRWDZBQOSA-N 1 2 387.833 3.897 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1=S ZINC000749799920 927278828 /nfs/dbraw/zinc/27/88/28/927278828.db2.gz PNJMOKLMROVLKG-SJORKVTESA-N 1 2 388.512 3.722 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1=S ZINC000749799920 927278845 /nfs/dbraw/zinc/27/88/45/927278845.db2.gz PNJMOKLMROVLKG-SJORKVTESA-N 1 2 388.512 3.722 20 30 GHEDLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000749805230 927286957 /nfs/dbraw/zinc/28/69/57/927286957.db2.gz QAWWVMMLDNQSAU-INIZCTEOSA-N 1 2 379.888 3.684 20 30 GHEDLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000749805230 927286965 /nfs/dbraw/zinc/28/69/65/927286965.db2.gz QAWWVMMLDNQSAU-INIZCTEOSA-N 1 2 379.888 3.684 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+](Cc3ncc(Br)s3)CC2)C1=O ZINC001276204940 927357604 /nfs/dbraw/zinc/35/76/04/927357604.db2.gz QDJUOYJOHZELCG-KRWDZBQOSA-N 1 2 398.370 3.686 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+](Cc3ncc(Br)s3)CC2)C1=O ZINC001276204940 927357620 /nfs/dbraw/zinc/35/76/20/927357620.db2.gz QDJUOYJOHZELCG-KRWDZBQOSA-N 1 2 398.370 3.686 20 30 GHEDLO C=CCc1cc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc(OC)c1OC ZINC000544024732 928701329 /nfs/dbraw/zinc/70/13/29/928701329.db2.gz LGBBZMWOXALFKY-UHFFFAOYSA-N 1 2 397.519 3.961 20 30 GHEDLO O=[N+]([O-])c1cccc(Oc2ccc(C=NNC3=[NH+][C@H]4CCCC[C@@H]4N3)cc2)c1 ZINC000753928129 929596584 /nfs/dbraw/zinc/59/65/84/929596584.db2.gz IODLDOLDSIVVRZ-OALUTQOASA-N 1 2 379.420 3.581 20 30 GHEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000469538491 929974707 /nfs/dbraw/zinc/97/47/07/929974707.db2.gz VHVNHCZKVBZRGR-SFHVURJKSA-N 1 2 392.425 3.888 20 30 GHEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000469538491 929974714 /nfs/dbraw/zinc/97/47/14/929974714.db2.gz VHVNHCZKVBZRGR-SFHVURJKSA-N 1 2 392.425 3.888 20 30 GHEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000469990851 930299541 /nfs/dbraw/zinc/29/95/41/930299541.db2.gz LYNROPISSMFJLK-UHFFFAOYSA-N 1 2 390.443 3.535 20 30 GHEDLO C=CCn1c(SCc2cc[nH+]c(N(C)C)c2)nc2cc(Cl)ccc2c1=O ZINC000782111925 931093521 /nfs/dbraw/zinc/09/35/21/931093521.db2.gz XYRAGVOYOPOUOO-UHFFFAOYSA-N 1 2 386.908 3.989 20 30 GHEDLO COc1ccccc1OCC[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471013565 931094948 /nfs/dbraw/zinc/09/49/48/931094948.db2.gz FAWRNYMQZRSANR-LJQANCHMSA-N 1 2 385.895 3.610 20 30 GHEDLO C=CC[N@@H+](Cc1cn2c(n1)CN(C(=O)OC(C)(C)C)CC2)Cc1ccccc1 ZINC001137519705 931149378 /nfs/dbraw/zinc/14/93/78/931149378.db2.gz FLKFQPKEBWFAHA-UHFFFAOYSA-N 1 2 382.508 3.822 20 30 GHEDLO C=CC[N@H+](Cc1cn2c(n1)CN(C(=O)OC(C)(C)C)CC2)Cc1ccccc1 ZINC001137519705 931149381 /nfs/dbraw/zinc/14/93/81/931149381.db2.gz FLKFQPKEBWFAHA-UHFFFAOYSA-N 1 2 382.508 3.822 20 30 GHEDLO CC[C@H]([NH2+]Cc1nnc2n1CCC[C@H]2C(F)(F)F)c1cccc(C#N)c1O ZINC000925173698 931689282 /nfs/dbraw/zinc/68/92/82/931689282.db2.gz ZFSLZMOXBLKFFI-KGLIPLIRSA-N 1 2 379.386 3.536 20 30 GHEDLO Cc1cc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc(C)c1OC(F)F ZINC000798275770 932588941 /nfs/dbraw/zinc/58/89/41/932588941.db2.gz UJLJTHQYEFBZMO-CVEARBPZSA-N 1 2 395.450 3.754 20 30 GHEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+](C)Cc2c(F)cccc2F)c(OC)c1 ZINC000559365689 932630872 /nfs/dbraw/zinc/63/08/72/932630872.db2.gz WIVBHFDGYOVAFA-INIZCTEOSA-N 1 2 377.431 3.574 20 30 GHEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2c(F)cccc2F)c(OC)c1 ZINC000559365689 932630878 /nfs/dbraw/zinc/63/08/78/932630878.db2.gz WIVBHFDGYOVAFA-INIZCTEOSA-N 1 2 377.431 3.574 20 30 GHEDLO CC(C)[C@H]1C[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CCCO1 ZINC000559496349 932706585 /nfs/dbraw/zinc/70/65/85/932706585.db2.gz UITKQVMEIKJOIF-CRAIPNDOSA-N 1 2 389.565 3.963 20 30 GHEDLO CC(C)[C@H]1C[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CCCO1 ZINC000559496349 932706591 /nfs/dbraw/zinc/70/65/91/932706591.db2.gz UITKQVMEIKJOIF-CRAIPNDOSA-N 1 2 389.565 3.963 20 30 GHEDLO N#Cc1c2c(sc1NC(=O)C[N@@H+]1CC[C@@H](c3ccccn3)C1)CCCCC2 ZINC000799191102 932908156 /nfs/dbraw/zinc/90/81/56/932908156.db2.gz WPTYGDLUDIILAQ-OAHLLOKOSA-N 1 2 380.517 3.712 20 30 GHEDLO N#Cc1c2c(sc1NC(=O)C[N@H+]1CC[C@@H](c3ccccn3)C1)CCCCC2 ZINC000799191102 932908161 /nfs/dbraw/zinc/90/81/61/932908161.db2.gz WPTYGDLUDIILAQ-OAHLLOKOSA-N 1 2 380.517 3.712 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000777729095 933184923 /nfs/dbraw/zinc/18/49/23/933184923.db2.gz FHKARNNIIUTTFW-NRFANRHFSA-N 1 2 386.492 3.636 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000777729095 933184925 /nfs/dbraw/zinc/18/49/25/933184925.db2.gz FHKARNNIIUTTFW-NRFANRHFSA-N 1 2 386.492 3.636 20 30 GHEDLO CN(Cc1cc(C#N)cs1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000929320659 933349968 /nfs/dbraw/zinc/34/99/68/933349968.db2.gz CNKBJVMFEZATDB-UHFFFAOYSA-N 1 2 375.523 3.726 20 30 GHEDLO CC(C)[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1cc(Br)ccc1F ZINC000561809772 934470608 /nfs/dbraw/zinc/47/06/08/934470608.db2.gz BJELTMUQJZQQIM-SFHVURJKSA-N 1 2 398.320 3.853 20 30 GHEDLO CC(C)[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1cc(Br)ccc1F ZINC000561809772 934470610 /nfs/dbraw/zinc/47/06/10/934470610.db2.gz BJELTMUQJZQQIM-SFHVURJKSA-N 1 2 398.320 3.853 20 30 GHEDLO Cc1cccc(C2=CCN(c3nnc(C4CC[NH+](CCC#N)CC4)n3C)CC2)c1 ZINC001121415983 934650614 /nfs/dbraw/zinc/65/06/14/934650614.db2.gz WWMRTTAKXRNXBH-UHFFFAOYSA-N 1 2 390.535 3.510 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)[C@H](C)c1ccc(OC)cc1 ZINC001121712978 934745449 /nfs/dbraw/zinc/74/54/49/934745449.db2.gz UCXXERBDWRONJX-QGZVFWFLSA-N 1 2 396.539 3.597 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931917414 934764406 /nfs/dbraw/zinc/76/44/06/934764406.db2.gz YTAHKRZGYDTPFR-AWEZNQCLSA-N 1 2 375.753 3.517 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931917414 934764412 /nfs/dbraw/zinc/76/44/12/934764412.db2.gz YTAHKRZGYDTPFR-AWEZNQCLSA-N 1 2 375.753 3.517 20 30 GHEDLO CCN(CC1CC1)c1nnc(C2CC[NH+](CCC#N)CC2)n1Cc1cccs1 ZINC001123006621 935053813 /nfs/dbraw/zinc/05/38/13/935053813.db2.gz MQSYGIWOKKFQSZ-UHFFFAOYSA-N 1 2 398.580 3.717 20 30 GHEDLO CC[C@H]1CCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2Cc2cccs2)C1 ZINC001123006456 935053926 /nfs/dbraw/zinc/05/39/26/935053926.db2.gz KPUYCUQTTWUCEL-KRWDZBQOSA-N 1 2 398.580 3.717 20 30 GHEDLO CCC(=O)N(c1ccccc1)C1CC[NH+](Cc2ccc(OC)cc2C#N)CC1 ZINC001137697926 935729900 /nfs/dbraw/zinc/72/99/00/935729900.db2.gz BNOKRFNQHXPSHH-UHFFFAOYSA-N 1 2 377.488 3.974 20 30 GHEDLO CCCCOc1ccccc1C[N@@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000468402390 1015671243 /nfs/dbraw/zinc/67/12/43/1015671243.db2.gz PGZWJPXOUXYUIP-WZONZLPQSA-N 1 2 375.472 3.711 20 30 GHEDLO CCCCOc1ccccc1C[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000468402390 1015671245 /nfs/dbraw/zinc/67/12/45/1015671245.db2.gz PGZWJPXOUXYUIP-WZONZLPQSA-N 1 2 375.472 3.711 20 30 GHEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000470028327 1016703993 /nfs/dbraw/zinc/70/39/93/1016703993.db2.gz MQJXIKIHYNDRNA-QAPCUYQASA-N 1 2 390.270 3.545 20 30 GHEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000470028327 1016703999 /nfs/dbraw/zinc/70/39/99/1016703999.db2.gz MQJXIKIHYNDRNA-QAPCUYQASA-N 1 2 390.270 3.545 20 30 GHEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ncc(-c3cc(Cl)cc(Cl)c3)s2)C1 ZINC001154958391 1032358576 /nfs/dbraw/zinc/35/85/76/1032358576.db2.gz FDZBKVZQXHJYCZ-OAHLLOKOSA-N 1 2 394.327 3.944 20 30 GHEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ncc(-c3cc(Cl)cc(Cl)c3)s2)C1 ZINC001154958391 1032358586 /nfs/dbraw/zinc/35/85/86/1032358586.db2.gz FDZBKVZQXHJYCZ-OAHLLOKOSA-N 1 2 394.327 3.944 20 30 GHEDLO C=CCOc1ccc(/C=C/C(=O)N2CCC[C@@H]2c2[nH]c(C)c(C)[nH+]2)cc1OC ZINC001155186757 1032449705 /nfs/dbraw/zinc/44/97/05/1032449705.db2.gz ZSOJQBFSBXQXMU-SXAWMYDMSA-N 1 2 381.476 3.977 20 30 GHEDLO C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(Cl)ncc1C(F)(F)F)CC2 ZINC001277240646 1032604434 /nfs/dbraw/zinc/60/44/34/1032604434.db2.gz YOAAEIKJNCDBJF-CYBMUJFWSA-N 1 2 387.833 3.658 20 30 GHEDLO C=CCOc1ccccc1CNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001227881430 1032666648 /nfs/dbraw/zinc/66/66/48/1032666648.db2.gz XSOOQXVEKVDBIQ-QGZVFWFLSA-N 1 2 376.460 3.998 20 30 GHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCc1ccc(C)c(C#N)c1 ZINC000926859892 1017317969 /nfs/dbraw/zinc/31/79/69/1017317969.db2.gz KCXGAJKMLUMCOT-UHFFFAOYSA-N 1 2 391.519 3.710 20 30 GHEDLO C[C@H]([NH2+][C@@H](c1ncccn1)C1CC1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000932360922 1018224604 /nfs/dbraw/zinc/22/46/04/1018224604.db2.gz IMBBDLQNNCRUAX-SCLBCKFNSA-N 1 2 395.532 3.747 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2c2cccnc2)cc1 ZINC000563829797 1018966275 /nfs/dbraw/zinc/96/62/75/1018966275.db2.gz MRSGKGKWIRTINK-NRFANRHFSA-N 1 2 378.476 3.564 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2c2cccnc2)cc1 ZINC000563829797 1018966277 /nfs/dbraw/zinc/96/62/77/1018966277.db2.gz MRSGKGKWIRTINK-NRFANRHFSA-N 1 2 378.476 3.564 20 30 GHEDLO CC(C)(C)OC(=O)c1ccc(N2CC[NH+](Cc3ccccc3C#N)CC2)cc1 ZINC001204373174 1032814382 /nfs/dbraw/zinc/81/43/82/1032814382.db2.gz OZIVMVYMKJTZNX-UHFFFAOYSA-N 1 2 377.488 3.836 20 30 GHEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cc(Br)ccc1F)C2 ZINC001204495743 1032927267 /nfs/dbraw/zinc/92/72/67/1032927267.db2.gz CCROPNRTIZMFLJ-SJLPKXTDSA-N 1 2 384.289 3.914 20 30 GHEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(Br)ccc1F)C2 ZINC001204495743 1032927269 /nfs/dbraw/zinc/92/72/69/1032927269.db2.gz CCROPNRTIZMFLJ-SJLPKXTDSA-N 1 2 384.289 3.914 20 30 GHEDLO C=CCOc1ccc(C(=O)c2ccccc2)c(O[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@@H+]3C)c1 ZINC001228454285 1032943120 /nfs/dbraw/zinc/94/31/20/1032943120.db2.gz FFFGTOINEJLEOL-LXBDKUERSA-N 1 2 391.467 3.665 20 30 GHEDLO C=CCOc1ccc(C(=O)c2ccccc2)c(O[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)c1 ZINC001228454285 1032943126 /nfs/dbraw/zinc/94/31/26/1032943126.db2.gz FFFGTOINEJLEOL-LXBDKUERSA-N 1 2 391.467 3.665 20 30 GHEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(Br)cc1F)C2 ZINC001204554457 1032967886 /nfs/dbraw/zinc/96/78/86/1032967886.db2.gz PIZOBYXJIWROFG-AEFFLSMTSA-N 1 2 384.289 3.914 20 30 GHEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(Br)cc1F)C2 ZINC001204554457 1032967894 /nfs/dbraw/zinc/96/78/94/1032967894.db2.gz PIZOBYXJIWROFG-AEFFLSMTSA-N 1 2 384.289 3.914 20 30 GHEDLO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC001626158210 1021294914 /nfs/dbraw/zinc/29/49/14/1021294914.db2.gz SNMATEMOUUIHSM-INIZCTEOSA-N 1 2 391.512 3.573 20 30 GHEDLO CCCCCCCCCC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC001137291707 1021819940 /nfs/dbraw/zinc/81/99/40/1021819940.db2.gz CPJRSKXWKHYMFB-GOSISDBHSA-N 1 2 383.577 3.794 20 30 GHEDLO CCCCCCCCCC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC001137291707 1021819956 /nfs/dbraw/zinc/81/99/56/1021819956.db2.gz CPJRSKXWKHYMFB-GOSISDBHSA-N 1 2 383.577 3.794 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccc(C#N)nc2)[C@H](Cc2ccccc2)C1 ZINC001140544306 1021943928 /nfs/dbraw/zinc/94/39/28/1021943928.db2.gz JANHJLGQRATUIL-OAQYLSRUSA-N 1 2 392.503 3.617 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2ccc(C#N)nc2)[C@H](Cc2ccccc2)C1 ZINC001140544306 1021943939 /nfs/dbraw/zinc/94/39/39/1021943939.db2.gz JANHJLGQRATUIL-OAQYLSRUSA-N 1 2 392.503 3.617 20 30 GHEDLO Cc1nc(NCc2cccc(C(=O)OCc3ccc(OCC#N)cc3)c2)cc[nH+]1 ZINC000754955222 1022983221 /nfs/dbraw/zinc/98/32/21/1022983221.db2.gz ZUNXOVBTVJZFPI-UHFFFAOYSA-N 1 2 388.427 3.657 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@H+]2CCCN(c3ncccc3F)CC2)c1 ZINC000755072134 1023061588 /nfs/dbraw/zinc/06/15/88/1023061588.db2.gz LKCQAQRVCYCPKZ-UHFFFAOYSA-N 1 2 389.272 3.567 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCCN(c3ncccc3F)CC2)c1 ZINC000755072134 1023061593 /nfs/dbraw/zinc/06/15/93/1023061593.db2.gz LKCQAQRVCYCPKZ-UHFFFAOYSA-N 1 2 389.272 3.567 20 30 GHEDLO Cc1[nH+]cc(CN=Nc2c(F)cc(C(=O)NC3CC3)cc2F)n1-c1ccccc1 ZINC000755772372 1023370462 /nfs/dbraw/zinc/37/04/62/1023370462.db2.gz BMCXDQHEJJUZDW-UHFFFAOYSA-N 1 2 395.413 3.797 20 30 GHEDLO N#Cc1c(N)sc(C[NH+]2CCC(n3c4ccccc4[nH]c3=O)CC2)c1Cl ZINC001141107580 1023516738 /nfs/dbraw/zinc/51/67/38/1023516738.db2.gz ZFJFZUKBNVFWAO-UHFFFAOYSA-N 1 2 387.896 3.748 20 30 GHEDLO N#Cc1c(N)sc(C[NH+]2CCN(c3ccc4ccccc4n3)CC2)c1Cl ZINC001141112629 1023528480 /nfs/dbraw/zinc/52/84/80/1023528480.db2.gz HJHMCTZWIINHTP-UHFFFAOYSA-N 1 2 383.908 3.726 20 30 GHEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC001141164007 1023991130 /nfs/dbraw/zinc/99/11/30/1023991130.db2.gz YPCHWCVZZCHULF-UNMCSNQZSA-N 1 2 381.451 3.542 20 30 GHEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC001141164007 1023991135 /nfs/dbraw/zinc/99/11/35/1023991135.db2.gz YPCHWCVZZCHULF-UNMCSNQZSA-N 1 2 381.451 3.542 20 30 GHEDLO CC[N@H+](CCC#N)Cc1cn(C(=O)OC(C)(C)C)c2cc(C(=O)OC)ccc12 ZINC001141247288 1024256744 /nfs/dbraw/zinc/25/67/44/1024256744.db2.gz SZPMYWOOIIQANZ-UHFFFAOYSA-N 1 2 385.464 3.947 20 30 GHEDLO CC[N@@H+](CCC#N)Cc1cn(C(=O)OC(C)(C)C)c2cc(C(=O)OC)ccc12 ZINC001141247288 1024256758 /nfs/dbraw/zinc/25/67/58/1024256758.db2.gz SZPMYWOOIIQANZ-UHFFFAOYSA-N 1 2 385.464 3.947 20 30 GHEDLO C[C@H]1CN(C2C[NH+](Cc3ccc(Oc4ccc(C#N)cc4)cc3)C2)C[C@H](C)O1 ZINC001141297881 1024441790 /nfs/dbraw/zinc/44/17/90/1024441790.db2.gz DRNILDZDQRWHJX-ROUUACIJSA-N 1 2 377.488 3.644 20 30 GHEDLO C[C@H]1C[NH+](C2CN(Cc3ccc(Oc4ccc(C#N)cc4)cc3)C2)C[C@H](C)O1 ZINC001141297881 1024441802 /nfs/dbraw/zinc/44/18/02/1024441802.db2.gz DRNILDZDQRWHJX-ROUUACIJSA-N 1 2 377.488 3.644 20 30 GHEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc(OC)c(SC(F)(F)F)c2)CC1 ZINC000831691539 1024745281 /nfs/dbraw/zinc/74/52/81/1024745281.db2.gz QICLKPDFNRNYQH-UHFFFAOYSA-N 1 2 388.411 3.586 20 30 GHEDLO N#Cc1c(Cl)cccc1C[N@@H+]1CCC[C@@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001139688439 1026539604 /nfs/dbraw/zinc/53/96/04/1026539604.db2.gz LLHRYSJZDGJTBN-JOCHJYFZSA-N 1 2 394.906 3.764 20 30 GHEDLO N#Cc1c(Cl)cccc1C[N@H+]1CCC[C@@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001139688439 1026539613 /nfs/dbraw/zinc/53/96/13/1026539613.db2.gz LLHRYSJZDGJTBN-JOCHJYFZSA-N 1 2 394.906 3.764 20 30 GHEDLO COCC[N@H+](Cc1cccc(Cl)c1C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001139693997 1026544704 /nfs/dbraw/zinc/54/47/04/1026544704.db2.gz XZFNBBSZTATUAZ-MRXNPFEDSA-N 1 2 393.915 3.669 20 30 GHEDLO COCC[N@@H+](Cc1cccc(Cl)c1C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001139693997 1026544717 /nfs/dbraw/zinc/54/47/17/1026544717.db2.gz XZFNBBSZTATUAZ-MRXNPFEDSA-N 1 2 393.915 3.669 20 30 GHEDLO COc1cc(C#N)ccc1OC1CC[NH+](Cc2cc(Cl)cnc2OC)CC1 ZINC001139749220 1026588673 /nfs/dbraw/zinc/58/86/73/1026588673.db2.gz PSHZINODIFRUFO-UHFFFAOYSA-N 1 2 387.867 3.667 20 30 GHEDLO N#Cc1ccc2[nH]cc(C[N@@H+]3CCc4onc(COc5ccccn5)c4C3)c2c1 ZINC001140113843 1026895068 /nfs/dbraw/zinc/89/50/68/1026895068.db2.gz FLQGSPWKYQCQAQ-UHFFFAOYSA-N 1 2 385.427 3.560 20 30 GHEDLO N#Cc1ccc2[nH]cc(C[N@H+]3CCc4onc(COc5ccccn5)c4C3)c2c1 ZINC001140113843 1026895073 /nfs/dbraw/zinc/89/50/73/1026895073.db2.gz FLQGSPWKYQCQAQ-UHFFFAOYSA-N 1 2 385.427 3.560 20 30 GHEDLO N#Cc1ccc2[nH]cc(C[NH+]3CCN(C(=O)c4cccc(Cl)c4)CC3)c2c1 ZINC001140115818 1026898910 /nfs/dbraw/zinc/89/89/10/1026898910.db2.gz NFFBYMJWZCHOEN-UHFFFAOYSA-N 1 2 378.863 3.651 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)c(F)c1 ZINC001140136751 1026910392 /nfs/dbraw/zinc/91/03/92/1026910392.db2.gz MPBBMYYEGSYZMU-SIKLNZKXSA-N 1 2 381.451 3.542 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)c(F)c1 ZINC001140136751 1026910400 /nfs/dbraw/zinc/91/04/00/1026910400.db2.gz MPBBMYYEGSYZMU-SIKLNZKXSA-N 1 2 381.451 3.542 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)c(F)c1 ZINC001140138164 1026912168 /nfs/dbraw/zinc/91/21/68/1026912168.db2.gz GTPLINDWNSERQZ-SIKLNZKXSA-N 1 2 381.451 3.542 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)c(F)c1 ZINC001140138164 1026912173 /nfs/dbraw/zinc/91/21/73/1026912173.db2.gz GTPLINDWNSERQZ-SIKLNZKXSA-N 1 2 381.451 3.542 20 30 GHEDLO CCn1cc(CN(Cc2c(C)nn(C)c2C)c2[nH+]ccc3ccc(C#N)cc32)cn1 ZINC001166621419 1027041678 /nfs/dbraw/zinc/04/16/78/1027041678.db2.gz XBHCESDQKCAGKX-UHFFFAOYSA-N 1 2 399.502 3.880 20 30 GHEDLO Cc1cc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cc(NC(=O)OC(C)(C)C)c1 ZINC000842159247 1029115836 /nfs/dbraw/zinc/11/58/36/1029115836.db2.gz ZRKNUYIEEFTCBI-IBGZPJMESA-N 1 2 394.475 3.530 20 30 GHEDLO COc1ccc(C[NH+]2CCOCC2)cc1Nc1cnc(C#N)c(C(F)(F)F)c1 ZINC001215547153 1029270559 /nfs/dbraw/zinc/27/05/59/1029270559.db2.gz MIROVZYGHRLXSW-UHFFFAOYSA-N 1 2 392.381 3.556 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1c(Cl)cc(C)cc1Cl)C2 ZINC001276907050 1030673692 /nfs/dbraw/zinc/67/36/92/1030673692.db2.gz AMERRLSWOUIRBP-HXUWFJFHSA-N 1 2 397.346 3.929 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1c(Cl)cc(C)cc1Cl)C2 ZINC001276907050 1030673702 /nfs/dbraw/zinc/67/37/02/1030673702.db2.gz AMERRLSWOUIRBP-HXUWFJFHSA-N 1 2 397.346 3.929 20 30 GHEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3cc(C#N)c(F)cc3C)CC2)c1 ZINC001220005358 1031741681 /nfs/dbraw/zinc/74/16/81/1031741681.db2.gz DREKVIKYQHXRBL-MRXNPFEDSA-N 1 2 396.466 3.925 20 30 GHEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2c(Br)ccc(C)c2F)C1=O ZINC001277433637 1033809851 /nfs/dbraw/zinc/80/98/51/1033809851.db2.gz KKKJDTOEQDKJCW-GOSISDBHSA-N 1 2 381.289 3.650 20 30 GHEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2c(Br)ccc(C)c2F)C1=O ZINC001277433637 1033809862 /nfs/dbraw/zinc/80/98/62/1033809862.db2.gz KKKJDTOEQDKJCW-GOSISDBHSA-N 1 2 381.289 3.650 20 30 GHEDLO N#C[C@@H](Oc1nc(=O)[nH]c2c1CC[N@H+](Cc1ccccc1)C2)c1cccc(F)c1 ZINC001230185733 1033934851 /nfs/dbraw/zinc/93/48/51/1033934851.db2.gz IGKZYJKZJHBTIC-HXUWFJFHSA-N 1 2 390.418 3.523 20 30 GHEDLO N#C[C@@H](Oc1nc(=O)[nH]c2c1CC[N@@H+](Cc1ccccc1)C2)c1cccc(F)c1 ZINC001230185733 1033934852 /nfs/dbraw/zinc/93/48/52/1033934852.db2.gz IGKZYJKZJHBTIC-HXUWFJFHSA-N 1 2 390.418 3.523 20 30 GHEDLO O[C@@]1(C(F)(F)F)CC[N@H+](Cc2c(F)cccc2OC(F)F)CC[C@H]1F ZINC001207112273 1034098761 /nfs/dbraw/zinc/09/87/61/1034098761.db2.gz YIGOJUVRMZBMBE-OCCSQVGLSA-N 1 2 375.284 3.654 20 30 GHEDLO O[C@@]1(C(F)(F)F)CC[N@@H+](Cc2c(F)cccc2OC(F)F)CC[C@H]1F ZINC001207112273 1034098772 /nfs/dbraw/zinc/09/87/72/1034098772.db2.gz YIGOJUVRMZBMBE-OCCSQVGLSA-N 1 2 375.284 3.654 20 30 GHEDLO C=CCOC[C@@H]1C[N@@H+](Cc2cc(C)c(C)cc2C)Cc2nnn(CC3CC3)c21 ZINC001231482803 1034626281 /nfs/dbraw/zinc/62/62/81/1034626281.db2.gz JARGACLFJUTZLU-NRFANRHFSA-N 1 2 380.536 3.915 20 30 GHEDLO C=CCOC[C@@H]1C[N@H+](Cc2cc(C)c(C)cc2C)Cc2nnn(CC3CC3)c21 ZINC001231482803 1034626296 /nfs/dbraw/zinc/62/62/96/1034626296.db2.gz JARGACLFJUTZLU-NRFANRHFSA-N 1 2 380.536 3.915 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC[N@H+](Cc3cc(Cl)c(F)c(Cl)c3)C2)OCC1=O ZINC001277536180 1034693110 /nfs/dbraw/zinc/69/31/10/1034693110.db2.gz AWIQKCNQULFGNQ-SFHVURJKSA-N 1 2 387.282 3.512 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC[N@@H+](Cc3cc(Cl)c(F)c(Cl)c3)C2)OCC1=O ZINC001277536180 1034693116 /nfs/dbraw/zinc/69/31/16/1034693116.db2.gz AWIQKCNQULFGNQ-SFHVURJKSA-N 1 2 387.282 3.512 20 30 GHEDLO CCOC(=O)Cc1c(C#N)c(Nc2cccc3[nH+]c[nH]c32)sc1C(=O)OCC ZINC001213028079 1035109556 /nfs/dbraw/zinc/10/95/56/1035109556.db2.gz HIIYQSGERPKEFD-UHFFFAOYSA-N 1 2 398.444 3.522 20 30 GHEDLO CN1CC[NH+](CCNc2ccc(-c3ccc(C4(C#N)CCCC4)cc3)cn2)CC1 ZINC001241560991 1035623582 /nfs/dbraw/zinc/62/35/82/1035623582.db2.gz SCNCPZLWHGWIHD-UHFFFAOYSA-N 1 2 389.547 3.743 20 30 GHEDLO COc1ccc(Cl)cc1CN1CC[NH+](Cc2ccc(C#N)c(OC)c2)CC1 ZINC001462016079 1069947241 /nfs/dbraw/zinc/94/72/41/1069947241.db2.gz ZPIMCLFRLFKTFG-UHFFFAOYSA-N 1 2 385.895 3.547 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+]2Cc2cc(Br)c(C)s2)C1=O ZINC001277680411 1038320381 /nfs/dbraw/zinc/32/03/81/1038320381.db2.gz YLDQEPPXSDUZDD-QGZVFWFLSA-N 1 2 383.355 3.962 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2cc(Br)c(C)s2)C1=O ZINC001277680411 1038320395 /nfs/dbraw/zinc/32/03/95/1038320395.db2.gz YLDQEPPXSDUZDD-QGZVFWFLSA-N 1 2 383.355 3.962 20 30 GHEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 ZINC001232605664 1038386666 /nfs/dbraw/zinc/38/66/66/1038386666.db2.gz DDROBQYFJYZGNA-UHFFFAOYSA-N 1 2 395.890 3.610 20 30 GHEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@]2(C[C@H](OCc3ccncc3)CO2)C1 ZINC001232608251 1038392281 /nfs/dbraw/zinc/39/22/81/1038392281.db2.gz WRXITTGFYHZYEY-FCHUYYIVSA-N 1 2 397.906 3.947 20 30 GHEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@]2(C[C@H](OCc3ccncc3)CO2)C1 ZINC001232608251 1038392290 /nfs/dbraw/zinc/39/22/90/1038392290.db2.gz WRXITTGFYHZYEY-FCHUYYIVSA-N 1 2 397.906 3.947 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cnc(Br)cc1C ZINC001277691099 1038412266 /nfs/dbraw/zinc/41/22/66/1038412266.db2.gz TULAYFOYYCUBEW-IBGZPJMESA-N 1 2 392.341 3.686 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cnc(Br)cc1C ZINC001277691099 1038412272 /nfs/dbraw/zinc/41/22/72/1038412272.db2.gz TULAYFOYYCUBEW-IBGZPJMESA-N 1 2 392.341 3.686 20 30 GHEDLO COCC[N@H+](Cc1cc(F)ccc1C#N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001232894044 1038684255 /nfs/dbraw/zinc/68/42/55/1038684255.db2.gz OGCAXWHWGZJSGI-IBGZPJMESA-N 1 2 391.487 3.545 20 30 GHEDLO COCC[N@@H+](Cc1cc(F)ccc1C#N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001232894044 1038684297 /nfs/dbraw/zinc/68/42/97/1038684297.db2.gz OGCAXWHWGZJSGI-IBGZPJMESA-N 1 2 391.487 3.545 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(O)c(OCC4CC4)c3)CC2)c(F)c1 ZINC001233229266 1038990265 /nfs/dbraw/zinc/99/02/65/1038990265.db2.gz JBFQRCWJZUKPTQ-UHFFFAOYSA-N 1 2 381.451 3.514 20 30 GHEDLO C=CCOC[C@@H](O)CNc1[nH+]cnc2c1c(-c1ccc(C)cc1)nn2C(C)(C)C ZINC001252455572 1038996683 /nfs/dbraw/zinc/99/66/83/1038996683.db2.gz DAVLLZNVEALKDM-KRWDZBQOSA-N 1 2 395.507 3.532 20 30 GHEDLO CCCCCCCCCC[C@@H](O)C[N@H+]1Cc2nnn(CC)c2[C@H](COC)C1 ZINC001252979342 1039308975 /nfs/dbraw/zinc/30/89/75/1039308975.db2.gz KPWRKSCKGYIHEO-RBUKOAKNSA-N 1 2 380.577 3.735 20 30 GHEDLO CCCCCCCCCC[C@@H](O)C[N@@H+]1Cc2nnn(CC)c2[C@H](COC)C1 ZINC001252979342 1039308992 /nfs/dbraw/zinc/30/89/92/1039308992.db2.gz KPWRKSCKGYIHEO-RBUKOAKNSA-N 1 2 380.577 3.735 20 30 GHEDLO CCCCCCCCCC[C@H](O)C[N@H+]1Cc2nnn(C)c2[C@@H](COCC)C1 ZINC001252984092 1039312803 /nfs/dbraw/zinc/31/28/03/1039312803.db2.gz CYMAKMHONQWQOP-MOPGFXCFSA-N 1 2 380.577 3.643 20 30 GHEDLO CCCCCCCCCC[C@H](O)C[N@@H+]1Cc2nnn(C)c2[C@@H](COCC)C1 ZINC001252984092 1039312820 /nfs/dbraw/zinc/31/28/20/1039312820.db2.gz CYMAKMHONQWQOP-MOPGFXCFSA-N 1 2 380.577 3.643 20 30 GHEDLO N#Cc1cccc(Br)c1O[C@H]1COCC[N@H+](Cc2ccccc2)C1 ZINC001233694327 1039543803 /nfs/dbraw/zinc/54/38/03/1039543803.db2.gz HJENNBRDNXAVFY-QGZVFWFLSA-N 1 2 387.277 3.601 20 30 GHEDLO N#Cc1cccc(Br)c1O[C@H]1COCC[N@@H+](Cc2ccccc2)C1 ZINC001233694327 1039543816 /nfs/dbraw/zinc/54/38/16/1039543816.db2.gz HJENNBRDNXAVFY-QGZVFWFLSA-N 1 2 387.277 3.601 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC001233744788 1039584372 /nfs/dbraw/zinc/58/43/72/1039584372.db2.gz DVABMIWXOYEUCU-AWEZNQCLSA-N 1 2 392.337 3.534 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC001233744788 1039584385 /nfs/dbraw/zinc/58/43/85/1039584385.db2.gz DVABMIWXOYEUCU-AWEZNQCLSA-N 1 2 392.337 3.534 20 30 GHEDLO CCOC(=O)[C@@H](Cc1ccccn1)[NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254348366 1040181417 /nfs/dbraw/zinc/18/14/17/1040181417.db2.gz IXKKLEKINHVJIQ-YUVVGHDESA-N 1 2 395.478 3.689 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1Cc1ccccc1-c1ccncc1 ZINC001235614802 1041033295 /nfs/dbraw/zinc/03/32/95/1041033295.db2.gz HDDIIJWIDVZVGF-JOCHJYFZSA-N 1 2 389.503 3.662 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1Cc1ccccc1-c1ccncc1 ZINC001235614802 1041033325 /nfs/dbraw/zinc/03/33/25/1041033325.db2.gz HDDIIJWIDVZVGF-JOCHJYFZSA-N 1 2 389.503 3.662 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@@]2(CCC[N@@H+]2Cc2c(F)cc(C#N)cc2F)C1 ZINC001235650120 1041091853 /nfs/dbraw/zinc/09/18/53/1041091853.db2.gz AXGSGHQGYJNYTM-FQEVSTJZSA-N 1 2 377.435 3.812 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@@]2(CCC[N@H+]2Cc2c(F)cc(C#N)cc2F)C1 ZINC001235650120 1041091873 /nfs/dbraw/zinc/09/18/73/1041091873.db2.gz AXGSGHQGYJNYTM-FQEVSTJZSA-N 1 2 377.435 3.812 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@]2(CCC[N@@H+]2Cc2c(F)cc(C#N)cc2F)C1 ZINC001235650123 1041092850 /nfs/dbraw/zinc/09/28/50/1041092850.db2.gz AXGSGHQGYJNYTM-HXUWFJFHSA-N 1 2 377.435 3.812 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@]2(CCC[N@H+]2Cc2c(F)cc(C#N)cc2F)C1 ZINC001235650123 1041092876 /nfs/dbraw/zinc/09/28/76/1041092876.db2.gz AXGSGHQGYJNYTM-HXUWFJFHSA-N 1 2 377.435 3.812 20 30 GHEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1[C@H](C)CSc1ccc(C)cc1 ZINC001255765585 1041280944 /nfs/dbraw/zinc/28/09/44/1041280944.db2.gz LWGXJJQZQFIQQM-XLIONFOSSA-N 1 2 386.565 3.889 20 30 GHEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1[C@H](C)CSc1ccc(C)cc1 ZINC001255765585 1041280953 /nfs/dbraw/zinc/28/09/53/1041280953.db2.gz LWGXJJQZQFIQQM-XLIONFOSSA-N 1 2 386.565 3.889 20 30 GHEDLO N#Cc1ccc(CN2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)cc1Br ZINC001236861485 1041932321 /nfs/dbraw/zinc/93/23/21/1041932321.db2.gz SWXUANBKVPCTHU-INIZCTEOSA-N 1 2 384.268 3.626 20 30 GHEDLO Cn1c(C[N@@H+]2CCC[C@H](Nc3ccc(C#N)cn3)C2)nc2ccc(Cl)cc21 ZINC001462598118 1070403565 /nfs/dbraw/zinc/40/35/65/1070403565.db2.gz WFBBRZMSCCJUFI-INIZCTEOSA-N 1 2 380.883 3.570 20 30 GHEDLO Cn1c(C[N@H+]2CCC[C@H](Nc3ccc(C#N)cn3)C2)nc2ccc(Cl)cc21 ZINC001462598118 1070403568 /nfs/dbraw/zinc/40/35/68/1070403568.db2.gz WFBBRZMSCCJUFI-INIZCTEOSA-N 1 2 380.883 3.570 20 30 GHEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)c(F)cc1F ZINC001237538913 1042256105 /nfs/dbraw/zinc/25/61/05/1042256105.db2.gz WDVFOZMULFWISZ-CYBMUJFWSA-N 1 2 398.335 3.689 20 30 GHEDLO N#Cc1cc(C[N@H+]2CCC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)c(F)cc1F ZINC001237538913 1042256112 /nfs/dbraw/zinc/25/61/12/1042256112.db2.gz WDVFOZMULFWISZ-CYBMUJFWSA-N 1 2 398.335 3.689 20 30 GHEDLO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cncc(Cl)c3Cl)C2)C1 ZINC001238007474 1042456380 /nfs/dbraw/zinc/45/63/80/1042456380.db2.gz KIUFULDMHHOKEQ-GOSISDBHSA-N 1 2 384.307 3.999 20 30 GHEDLO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](Cc3cncc(Cl)c3Cl)C2)C1 ZINC001238007474 1042456382 /nfs/dbraw/zinc/45/63/82/1042456382.db2.gz KIUFULDMHHOKEQ-GOSISDBHSA-N 1 2 384.307 3.999 20 30 GHEDLO Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC001462630238 1070427848 /nfs/dbraw/zinc/42/78/48/1070427848.db2.gz PYFLZKHBGFDTSZ-JOCHJYFZSA-N 1 2 376.435 3.765 20 30 GHEDLO Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC001462630238 1070427854 /nfs/dbraw/zinc/42/78/54/1070427854.db2.gz PYFLZKHBGFDTSZ-JOCHJYFZSA-N 1 2 376.435 3.765 20 30 GHEDLO COc1cc(C[N@@H+]2CCc3c(c(COC(C)C)nn3CC3CC3)C2)ccc1C#N ZINC001238407814 1042586932 /nfs/dbraw/zinc/58/69/32/1042586932.db2.gz YYJZWZGDYNONSO-UHFFFAOYSA-N 1 2 394.519 3.657 20 30 GHEDLO COc1cc(C[N@H+]2CCc3c(c(COC(C)C)nn3CC3CC3)C2)ccc1C#N ZINC001238407814 1042586934 /nfs/dbraw/zinc/58/69/34/1042586934.db2.gz YYJZWZGDYNONSO-UHFFFAOYSA-N 1 2 394.519 3.657 20 30 GHEDLO C=CCOC[C@@H]1C[N@@H+](Cc2cnc(C3CC3)c(C)c2)Cc2nnn(CC3CC3)c21 ZINC001238619522 1042661297 /nfs/dbraw/zinc/66/12/97/1042661297.db2.gz VEUJZAYFRIBYBY-FQEVSTJZSA-N 1 2 393.535 3.571 20 30 GHEDLO C=CCOC[C@@H]1C[N@H+](Cc2cnc(C3CC3)c(C)c2)Cc2nnn(CC3CC3)c21 ZINC001238619522 1042661301 /nfs/dbraw/zinc/66/13/01/1042661301.db2.gz VEUJZAYFRIBYBY-FQEVSTJZSA-N 1 2 393.535 3.571 20 30 GHEDLO C=C[C@@H]1C[C@@]1([NH2+]C1CCC(C2CCC3(CC2)OCCO3)CC1)C(=O)OCC ZINC001257489552 1044016093 /nfs/dbraw/zinc/01/60/93/1044016093.db2.gz SNZZFFBSYKOFIZ-UOCVTNFKSA-N 1 2 377.525 3.576 20 30 GHEDLO C=C1C[C@@H]2CC([NH2+][C@@H](Cc3ccc(Br)cn3)C(=O)OC)C[C@H](C1)C2 ZINC001257889834 1044245485 /nfs/dbraw/zinc/24/54/85/1044245485.db2.gz KBXPKLBLPAWZQN-YWGCOLQPSA-N 1 2 393.325 3.653 20 30 GHEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@@H]1c1ccc(OC)cc1 ZINC001263287986 1046682458 /nfs/dbraw/zinc/68/24/58/1046682458.db2.gz AJSMADLBGGQHCH-LJQANCHMSA-N 1 2 392.507 3.529 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[C@@H](COCc2ccccc2)C1 ZINC001263301367 1046699444 /nfs/dbraw/zinc/69/94/44/1046699444.db2.gz OATTWKMTCDAHEJ-NHCUHLMSSA-N 1 2 395.551 3.664 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[C@@H](COCc2ccccc2)C1 ZINC001263301367 1046699447 /nfs/dbraw/zinc/69/94/47/1046699447.db2.gz OATTWKMTCDAHEJ-NHCUHLMSSA-N 1 2 395.551 3.664 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[C@@H](COc2ccccc2)C1 ZINC001263301326 1046699557 /nfs/dbraw/zinc/69/95/57/1046699557.db2.gz NDYOKHAMUCKCRW-QUCCMNQESA-N 1 2 381.524 3.526 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[C@@H](COc2ccccc2)C1 ZINC001263301326 1046699565 /nfs/dbraw/zinc/69/95/65/1046699565.db2.gz NDYOKHAMUCKCRW-QUCCMNQESA-N 1 2 381.524 3.526 20 30 GHEDLO Cc1cn2c([nH+]1)[C@@H](Cn1c(-c3ccc(C)o3)nnc1N(C)C[C@H](C)C#N)CCC2 ZINC001304607767 1047729681 /nfs/dbraw/zinc/72/96/81/1047729681.db2.gz FOPHFPNAZJTPBZ-RHSMWYFYSA-N 1 2 393.495 3.525 20 30 GHEDLO Cc1cn2c([nH+]1)[C@H](Cn1c(CC(C)C)nnc1N1CCC(CC#N)CC1)CCC2 ZINC001304609192 1047730432 /nfs/dbraw/zinc/73/04/32/1047730432.db2.gz SBMDQESDNKTLPY-IBGZPJMESA-N 1 2 395.555 3.689 20 30 GHEDLO C#C[C@@H](C)N(C)c1nnc(CC2CCCC2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001286306128 1048267262 /nfs/dbraw/zinc/26/72/62/1048267262.db2.gz YICNGTQQSQVUNP-MJGOQNOKSA-N 1 2 380.540 3.551 20 30 GHEDLO C=C(C)CN(CC)c1nnc(-c2cccn2C)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001286571709 1048370844 /nfs/dbraw/zinc/37/08/44/1048370844.db2.gz QVYVWNZVKUYGTR-SFHVURJKSA-N 1 2 393.539 3.769 20 30 GHEDLO COC(=O)[C@@H](c1cccc(Br)c1)[N@H+](C)CCc1cccc(C#N)c1 ZINC001308015389 1049765845 /nfs/dbraw/zinc/76/58/45/1049765845.db2.gz FDAVOZOZKCPYCO-GOSISDBHSA-N 1 2 387.277 3.709 20 30 GHEDLO COC(=O)[C@@H](c1cccc(Br)c1)[N@@H+](C)CCc1cccc(C#N)c1 ZINC001308015389 1049765850 /nfs/dbraw/zinc/76/58/50/1049765850.db2.gz FDAVOZOZKCPYCO-GOSISDBHSA-N 1 2 387.277 3.709 20 30 GHEDLO Cc1cn2c([nH+]1)[C@@H](Cn1c(N3CCC[C@@](C)(C#N)C3)nnc1C(C)(C)C)CCC2 ZINC001290296191 1049793606 /nfs/dbraw/zinc/79/36/06/1049793606.db2.gz QQJBIDGXGIZBRG-VGSWGCGISA-N 1 2 395.555 3.788 20 30 GHEDLO N#Cc1cccc([C@@H](O)C[N@@H+]2CCc3cc(Br)c(F)cc3C2)c1 ZINC001308120693 1049864117 /nfs/dbraw/zinc/86/41/17/1049864117.db2.gz HTXXGWXJNIZKAU-SFHVURJKSA-N 1 2 375.241 3.552 20 30 GHEDLO N#Cc1cccc([C@@H](O)C[N@H+]2CCc3cc(Br)c(F)cc3C2)c1 ZINC001308120693 1049864130 /nfs/dbraw/zinc/86/41/30/1049864130.db2.gz HTXXGWXJNIZKAU-SFHVURJKSA-N 1 2 375.241 3.552 20 30 GHEDLO Cc1cc(C[N@@H+]2CCCN(c3c(C#N)cnc4c(C)cc(F)cc43)CC2)no1 ZINC001329667553 1050878012 /nfs/dbraw/zinc/87/80/12/1050878012.db2.gz ZVMWPRDFDKZRSS-UHFFFAOYSA-N 1 2 379.439 3.563 20 30 GHEDLO Cc1cc(C[N@H+]2CCCN(c3c(C#N)cnc4c(C)cc(F)cc43)CC2)no1 ZINC001329667553 1050878021 /nfs/dbraw/zinc/87/80/21/1050878021.db2.gz ZVMWPRDFDKZRSS-UHFFFAOYSA-N 1 2 379.439 3.563 20 30 GHEDLO N#CCOc1cc(F)ccc1NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001310431606 1051353640 /nfs/dbraw/zinc/35/36/40/1051353640.db2.gz TVZXMJDAPGXTBS-UHFFFAOYSA-N 1 2 399.813 3.889 20 30 GHEDLO C=CCn1ncc2ccc(NC(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)cc21 ZINC001311251692 1051968674 /nfs/dbraw/zinc/96/86/74/1051968674.db2.gz GPOOPGWNOFDCHL-UHFFFAOYSA-N 1 2 390.422 3.869 20 30 GHEDLO CC(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCc2ccccc2C1 ZINC001345109933 1054905749 /nfs/dbraw/zinc/90/57/49/1054905749.db2.gz JYHMBMOFAUZEFH-UHFFFAOYSA-N 1 2 392.551 3.590 20 30 GHEDLO C#CCN(CC)c1nnc(-c2ccccc2OC)n1CCCc1cccc(C)[nH+]1 ZINC001300616615 1056673689 /nfs/dbraw/zinc/67/36/89/1056673689.db2.gz LDZCABKFPPOXEP-UHFFFAOYSA-N 1 2 389.503 3.749 20 30 GHEDLO CN(C)c1nc(C[NH2+]Cc2cccc(OCC#N)c2)c(Cl)n1-c1ccccc1 ZINC001322772368 1056843129 /nfs/dbraw/zinc/84/31/29/1056843129.db2.gz DMGXXTVJWGPZQI-UHFFFAOYSA-N 1 2 395.894 3.784 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2CC2(C)CCCC2)CC1 ZINC001300692275 1056889836 /nfs/dbraw/zinc/88/98/36/1056889836.db2.gz BZCDCYIETLYXOD-UHFFFAOYSA-N 1 2 397.954 3.934 20 30 GHEDLO CCOc1ccc2c(c1)C[N@@H+](CC(=O)[C@H](C#N)c1nc3ccccc3s1)CC2 ZINC001324185661 1057085978 /nfs/dbraw/zinc/08/59/78/1057085978.db2.gz MGFKYKDBEPRTHL-SFHVURJKSA-N 1 2 391.496 3.930 20 30 GHEDLO CCOc1ccc2c(c1)C[N@H+](CC(=O)[C@H](C#N)c1nc3ccccc3s1)CC2 ZINC001324185661 1057085991 /nfs/dbraw/zinc/08/59/91/1057085991.db2.gz MGFKYKDBEPRTHL-SFHVURJKSA-N 1 2 391.496 3.930 20 30 GHEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848475539 1057113970 /nfs/dbraw/zinc/11/39/70/1057113970.db2.gz RHZUPMJXPGRVLM-OAQYLSRUSA-N 1 2 395.459 3.565 20 30 GHEDLO C=CC[N@H+](Cc1ccc(OC)cc1)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000848475539 1057113973 /nfs/dbraw/zinc/11/39/73/1057113973.db2.gz RHZUPMJXPGRVLM-OAQYLSRUSA-N 1 2 395.459 3.565 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@H](c2ccccc2OC)C1 ZINC001338895393 1058863254 /nfs/dbraw/zinc/86/32/54/1058863254.db2.gz IOHDFCSVNUCTEU-IEBWSBKVSA-N 1 2 381.524 3.623 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[C@@H](c2ccccc2OC)C1 ZINC001338895393 1058863279 /nfs/dbraw/zinc/86/32/79/1058863279.db2.gz IOHDFCSVNUCTEU-IEBWSBKVSA-N 1 2 381.524 3.623 20 30 GHEDLO C=CCn1c([C@@H](C)CCC#N)nnc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC001339501722 1059259365 /nfs/dbraw/zinc/25/93/65/1059259365.db2.gz VJCFHLONKRXJAB-KRWDZBQOSA-N 1 2 398.942 3.847 20 30 GHEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCC[C@H]1c1ccc(C(C)C)cc1 ZINC001340377017 1059900981 /nfs/dbraw/zinc/90/09/81/1059900981.db2.gz ZXWNXDBHAHXXRK-HKBOAZHASA-N 1 2 395.551 3.667 20 30 GHEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCC[C@H]1c1ccc(C(C)C)cc1 ZINC001340377017 1059900982 /nfs/dbraw/zinc/90/09/82/1059900982.db2.gz ZXWNXDBHAHXXRK-HKBOAZHASA-N 1 2 395.551 3.667 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC2(CCCCO2)CC1 ZINC001340641932 1060015225 /nfs/dbraw/zinc/01/52/25/1060015225.db2.gz SAQZGAMYRJROHW-LJQANCHMSA-N 1 2 398.555 3.836 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC001340733105 1060083122 /nfs/dbraw/zinc/08/31/22/1060083122.db2.gz NGXUMYFZZGJZRD-AQNXPRMDSA-N 1 2 388.519 3.561 20 30 GHEDLO C=CCN(CC=C)c1nnc(C2CC[NH+](CCC#N)CC2)n1Cc1ccccc1 ZINC001340787569 1060127593 /nfs/dbraw/zinc/12/75/93/1060127593.db2.gz XSQKLUGXBZUDAX-UHFFFAOYSA-N 1 2 390.535 3.598 20 30 GHEDLO CCn1c([C@@H]2CCCC[N@@H+]2Cc2ccccc2)nnc1N1CCC[C@@H](C#N)C1 ZINC001341126075 1060427758 /nfs/dbraw/zinc/42/77/58/1060427758.db2.gz BHCAXAYUVOHZDJ-PMACEKPBSA-N 1 2 378.524 3.765 20 30 GHEDLO CCn1c([C@@H]2CCCC[N@H+]2Cc2ccccc2)nnc1N1CCC[C@@H](C#N)C1 ZINC001341126075 1060427773 /nfs/dbraw/zinc/42/77/73/1060427773.db2.gz BHCAXAYUVOHZDJ-PMACEKPBSA-N 1 2 378.524 3.765 20 30 GHEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCc2ccccc2[C@H]1C ZINC001342012947 1060995616 /nfs/dbraw/zinc/99/56/16/1060995616.db2.gz OMUYZWXWXKKIDB-LMNJBCLMSA-N 1 2 393.535 3.514 20 30 GHEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCc2ccccc2[C@H]1C ZINC001342012947 1060995619 /nfs/dbraw/zinc/99/56/19/1060995619.db2.gz OMUYZWXWXKKIDB-LMNJBCLMSA-N 1 2 393.535 3.514 20 30 GHEDLO C[C@H](C1CC1)N(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1Cc1ccccc1 ZINC001342266607 1061187514 /nfs/dbraw/zinc/18/75/14/1061187514.db2.gz ZKDOTFJOCMRUNL-GOSISDBHSA-N 1 2 392.551 3.654 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC(C2CCOCC2)CC1 ZINC001346627304 1061743993 /nfs/dbraw/zinc/74/39/93/1061743993.db2.gz KTVVFKZPQORKSE-FQEVSTJZSA-N 1 2 387.572 3.654 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC(C2CCOCC2)CC1 ZINC001346627304 1061744010 /nfs/dbraw/zinc/74/40/10/1061744010.db2.gz KTVVFKZPQORKSE-FQEVSTJZSA-N 1 2 387.572 3.654 20 30 GHEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N(C)[C@H](C)c1ccco1 ZINC001346646648 1061761685 /nfs/dbraw/zinc/76/16/85/1061761685.db2.gz JOROYYXGPVIUPS-AOIWGVFYSA-N 1 2 385.512 3.570 20 30 GHEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N(C)[C@H](C)c1ccco1 ZINC001346646648 1061761699 /nfs/dbraw/zinc/76/16/99/1061761699.db2.gz JOROYYXGPVIUPS-AOIWGVFYSA-N 1 2 385.512 3.570 20 30 GHEDLO Cc1[nH]c(-c2ccc(NC(=O)c3ccc(-n4ncc(C#N)c4N)cc3)cc2)[nH+]c1C ZINC001455249033 1062070014 /nfs/dbraw/zinc/07/00/14/1062070014.db2.gz QWJPQJBGMAGGMB-UHFFFAOYSA-N 1 2 397.442 3.585 20 30 GHEDLO Cc1cc(C(=O)N2CCC(c3c[nH+]cn3C)CC2)c(C)n1-c1ccc(C#N)cc1 ZINC001347660089 1062558909 /nfs/dbraw/zinc/55/89/09/1062558909.db2.gz MSQARZKZFPUEDS-UHFFFAOYSA-N 1 2 387.487 3.719 20 30 GHEDLO N#Cc1ccc(Br)cc1N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC001458072756 1063545131 /nfs/dbraw/zinc/54/51/31/1063545131.db2.gz IIZMMJHHYDPDFR-IBGZPJMESA-N 1 2 386.293 3.806 20 30 GHEDLO CCC[C@@H]1CN(S(=O)(=O)c2cccc(C)c2C#N)CC[N@@H+]1Cc1ccccc1 ZINC001463410657 1064324817 /nfs/dbraw/zinc/32/48/17/1064324817.db2.gz MTLWBRLFUJMUNE-HXUWFJFHSA-N 1 2 397.544 3.542 20 30 GHEDLO CCC[C@@H]1CN(S(=O)(=O)c2cccc(C)c2C#N)CC[N@H+]1Cc1ccccc1 ZINC001463410657 1064324837 /nfs/dbraw/zinc/32/48/37/1064324837.db2.gz MTLWBRLFUJMUNE-HXUWFJFHSA-N 1 2 397.544 3.542 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001351949890 1064726077 /nfs/dbraw/zinc/72/60/77/1064726077.db2.gz UGMHHBKGCNHTCZ-AZUAARDMSA-N 1 2 382.556 3.574 20 30 GHEDLO Cc1[nH]c2ccc(NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)cc2[nH+]1 ZINC000847308937 1065025194 /nfs/dbraw/zinc/02/51/94/1065025194.db2.gz XATNTYPZVQQHDN-MRXNPFEDSA-N 1 2 385.468 3.787 20 30 GHEDLO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(Br)c(F)cc1O)C(C)C ZINC001464867252 1065251659 /nfs/dbraw/zinc/25/16/59/1065251659.db2.gz ATRDERIHBBHXCY-INIZCTEOSA-N 1 2 399.304 3.722 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCC=C(C)C)CC1 ZINC001359030355 1067659621 /nfs/dbraw/zinc/65/96/21/1067659621.db2.gz UPMDEORCJANMKA-QFIPXVFZSA-N 1 2 391.563 3.932 20 30 GHEDLO C#C[C@]1(C)CCCN1c1nnc(CC2CC2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001359072791 1067673297 /nfs/dbraw/zinc/67/32/97/1067673297.db2.gz QOWVNTWVXKASCX-HSZRJFAPSA-N 1 2 392.551 3.512 20 30 GHEDLO C=C(Cn1c(C(C)C)nnc1N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC001359138568 1067704092 /nfs/dbraw/zinc/70/40/92/1067704092.db2.gz XOWFLIVNTRINOF-UHFFFAOYSA-N 1 2 388.519 3.837 20 30 GHEDLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)[C@H]2CCCC[C@H]12 ZINC001460358091 1068940147 /nfs/dbraw/zinc/94/01/47/1068940147.db2.gz BTZGVUQSFQKJEZ-KURKYZTESA-N 1 2 391.309 3.874 20 30 GHEDLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)[C@H]2CCCC[C@H]12 ZINC001460358091 1068940154 /nfs/dbraw/zinc/94/01/54/1068940154.db2.gz BTZGVUQSFQKJEZ-KURKYZTESA-N 1 2 391.309 3.874 20 30 GHEDLO C=CCCC(C)(C)NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC001478351773 1078827228 /nfs/dbraw/zinc/82/72/28/1078827228.db2.gz KLQFWGCQMGFOOA-MSOLQXFVSA-N 1 2 379.932 3.756 20 30 GHEDLO C=CCCC(C)(C)NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC001478351773 1078827231 /nfs/dbraw/zinc/82/72/31/1078827231.db2.gz KLQFWGCQMGFOOA-MSOLQXFVSA-N 1 2 379.932 3.756 20 30 GHEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]1c1ccc(Br)cc1C ZINC001460613416 1069029543 /nfs/dbraw/zinc/02/95/43/1069029543.db2.gz XOCDDZBEDNERKE-KDOFPFPSSA-N 1 2 392.341 3.903 20 30 GHEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]1c1ccc(Br)cc1C ZINC001460613416 1069029557 /nfs/dbraw/zinc/02/95/57/1069029557.db2.gz XOCDDZBEDNERKE-KDOFPFPSSA-N 1 2 392.341 3.903 20 30 GHEDLO N#Cc1ccc(C(=O)NCCc2cn(Cc3ccc(Cl)cc3)c[nH+]2)c(F)c1 ZINC001472405014 1073470019 /nfs/dbraw/zinc/47/00/19/1073470019.db2.gz LFMSFDNKJFXFEI-UHFFFAOYSA-N 1 2 382.826 3.568 20 30 GHEDLO C[C@@H](CNc1ncc(C#N)cc1Br)[N@@H+]1CCc2sccc2C1 ZINC001472678499 1073612035 /nfs/dbraw/zinc/61/20/35/1073612035.db2.gz XABYUJHVVNICSH-NSHDSACASA-N 1 2 377.311 3.636 20 30 GHEDLO C[C@@H](CNc1ncc(C#N)cc1Br)[N@H+]1CCc2sccc2C1 ZINC001472678499 1073612043 /nfs/dbraw/zinc/61/20/43/1073612043.db2.gz XABYUJHVVNICSH-NSHDSACASA-N 1 2 377.311 3.636 20 30 GHEDLO C=CCOc1c(Br)cc(C[NH2+][C@H](C)c2nnc(CC)[nH]2)cc1OC ZINC001474097685 1074262634 /nfs/dbraw/zinc/26/26/34/1074262634.db2.gz VWPBIBYCSLGGSJ-LLVKDONJSA-N 1 2 395.301 3.554 20 30 GHEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](CCc2cccc(Cl)c2)CC1 ZINC001474374040 1074370924 /nfs/dbraw/zinc/37/09/24/1074370924.db2.gz JPPHGWKXOLDGTQ-UHFFFAOYSA-N 1 2 382.851 3.824 20 30 GHEDLO Cc1cc(C[N@@H+]2CCN(C(=O)C(F)(F)F)C3(CCCCC3)C2)ccc1C#N ZINC001474605607 1074480406 /nfs/dbraw/zinc/48/04/06/1074480406.db2.gz PAQGAFMGMAWPGE-UHFFFAOYSA-N 1 2 379.426 3.776 20 30 GHEDLO Cc1cc(C[N@H+]2CCN(C(=O)C(F)(F)F)C3(CCCCC3)C2)ccc1C#N ZINC001474605607 1074480407 /nfs/dbraw/zinc/48/04/07/1074480407.db2.gz PAQGAFMGMAWPGE-UHFFFAOYSA-N 1 2 379.426 3.776 20 30 GHEDLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)Nc3ccc(C#N)cc3Cl)C2)cc1 ZINC001476275831 1075114695 /nfs/dbraw/zinc/11/46/95/1075114695.db2.gz KYQSXPOXSQARTL-GOSISDBHSA-N 1 2 398.894 3.543 20 30 GHEDLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)Nc3ccc(C#N)cc3Cl)C2)cc1 ZINC001476275831 1075114698 /nfs/dbraw/zinc/11/46/98/1075114698.db2.gz KYQSXPOXSQARTL-GOSISDBHSA-N 1 2 398.894 3.543 20 30 GHEDLO CCCN(CC)c1nnc(-c2cccc(C#N)c2)n1CCc1cn2ccccc2[nH+]1 ZINC001500744870 1079614350 /nfs/dbraw/zinc/61/43/50/1079614350.db2.gz ZAKKMQMWAJHFHK-UHFFFAOYSA-N 1 2 399.502 3.943 20 30 GHEDLO C=CC[N@@H+](Cc1ncc(-c2ccccc2F)o1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735426963 599130357 /nfs/dbraw/zinc/13/03/57/599130357.db2.gz ZXOIUELMFYESOL-UHFFFAOYSA-N 1 2 390.422 3.849 20 30 GHEDLO C=CC[N@H+](Cc1ncc(-c2ccccc2F)o1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735426963 599130359 /nfs/dbraw/zinc/13/03/59/599130359.db2.gz ZXOIUELMFYESOL-UHFFFAOYSA-N 1 2 390.422 3.849 20 30 GHEDLO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cnccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000580614631 837387183 /nfs/dbraw/zinc/38/71/83/837387183.db2.gz RORGSSSJVSOMPE-RTBURBONSA-N 1 2 386.858 3.700 20 30 GHEDLO CC(C)[N@H+]1CC[C@@H](NC(=O)c2cnccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000580614631 837387194 /nfs/dbraw/zinc/38/71/94/837387194.db2.gz RORGSSSJVSOMPE-RTBURBONSA-N 1 2 386.858 3.700 20 30 GHEDLO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023357682 834359449 /nfs/dbraw/zinc/35/94/49/834359449.db2.gz RCDCSOJRDQWDGS-QGZVFWFLSA-N 1 2 396.922 3.665 20 30 GHEDLO COc1cc(Cl)c(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1Cl ZINC000430181369 834813053 /nfs/dbraw/zinc/81/30/53/834813053.db2.gz VNQVWEBZFLXYFF-CQSZACIVSA-N 1 2 378.259 3.922 20 30 GHEDLO COc1cc(Cl)c(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1Cl ZINC000430181369 834813061 /nfs/dbraw/zinc/81/30/61/834813061.db2.gz VNQVWEBZFLXYFF-CQSZACIVSA-N 1 2 378.259 3.922 20 30 GHEDLO C=C(C)Cn1c(CC2CCCCC2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000579809755 834914094 /nfs/dbraw/zinc/91/40/94/834914094.db2.gz JVJQYAAEBHPZSJ-UHFFFAOYSA-N 1 2 398.555 3.596 20 30 GHEDLO C=CC[N@@H+](CCCS(=O)(=O)c1ccc(F)cc1)Cc1ccc(OC)cc1 ZINC000108975244 834959121 /nfs/dbraw/zinc/95/91/21/834959121.db2.gz OUYRONKLKBHRDS-UHFFFAOYSA-N 1 2 377.481 3.686 20 30 GHEDLO C=CC[N@H+](CCCS(=O)(=O)c1ccc(F)cc1)Cc1ccc(OC)cc1 ZINC000108975244 834959124 /nfs/dbraw/zinc/95/91/24/834959124.db2.gz OUYRONKLKBHRDS-UHFFFAOYSA-N 1 2 377.481 3.686 20 30 GHEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000583745430 834968674 /nfs/dbraw/zinc/96/86/74/834968674.db2.gz UECIPTSUJCKWQN-KRWDZBQOSA-N 1 2 388.943 3.583 20 30 GHEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000583745430 834968683 /nfs/dbraw/zinc/96/86/83/834968683.db2.gz UECIPTSUJCKWQN-KRWDZBQOSA-N 1 2 388.943 3.583 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccccc3OC(F)F)CC2)cc1 ZINC000511283062 834980091 /nfs/dbraw/zinc/98/00/91/834980091.db2.gz DVYVIMVOVPQSQF-UHFFFAOYSA-N 1 2 386.402 3.509 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cccc(Br)c3)CC2)cc1 ZINC000043134551 836268592 /nfs/dbraw/zinc/26/85/92/836268592.db2.gz FXYQMWWZJBXZFK-UHFFFAOYSA-N 1 2 399.292 3.670 20 30 GHEDLO COc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1Cl ZINC000043332253 836651200 /nfs/dbraw/zinc/65/12/00/836651200.db2.gz MTAIUMNSEPLUMO-UHFFFAOYSA-N 1 2 384.867 3.570 20 30 GHEDLO COc1ccc(CN(c2cc[nH+]cc2)S(=O)(=O)CC2(C#N)CCCCC2)cc1 ZINC000547796383 836669054 /nfs/dbraw/zinc/66/90/54/836669054.db2.gz NIZFKEQZWKRKDR-UHFFFAOYSA-N 1 2 399.516 3.901 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)NCc2cccc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000247059377 836695809 /nfs/dbraw/zinc/69/58/09/836695809.db2.gz VKKBPNRQVZTJKO-RTBURBONSA-N 1 2 386.858 3.595 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)NCc2cccc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000247059377 836695816 /nfs/dbraw/zinc/69/58/16/836695816.db2.gz VKKBPNRQVZTJKO-RTBURBONSA-N 1 2 386.858 3.595 20 30 GHEDLO Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000180030941 836773230 /nfs/dbraw/zinc/77/32/30/836773230.db2.gz XBMXHHPJQDSQQY-UHFFFAOYSA-N 1 2 378.398 3.706 20 30 GHEDLO Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000180030941 836773234 /nfs/dbraw/zinc/77/32/34/836773234.db2.gz XBMXHHPJQDSQQY-UHFFFAOYSA-N 1 2 378.398 3.706 20 30 GHEDLO C=CCOc1ccc(/C=C\C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1OC ZINC000255882351 837247043 /nfs/dbraw/zinc/24/70/43/837247043.db2.gz DJZCMQADHFIVNS-LUAWRHEFSA-N 1 2 389.455 3.775 20 30 GHEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1nc2cc(Br)ccc2[nH]1 ZINC000580252718 837319852 /nfs/dbraw/zinc/31/98/52/837319852.db2.gz FIKSJUUNVTZADN-UHFFFAOYSA-N 1 2 399.292 3.846 20 30 GHEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1nc2cc(Br)ccc2[nH]1 ZINC000580252718 837319865 /nfs/dbraw/zinc/31/98/65/837319865.db2.gz FIKSJUUNVTZADN-UHFFFAOYSA-N 1 2 399.292 3.846 20 30 GHEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1nc2ccc(Br)cc2[nH]1 ZINC000580252718 837319871 /nfs/dbraw/zinc/31/98/71/837319871.db2.gz FIKSJUUNVTZADN-UHFFFAOYSA-N 1 2 399.292 3.846 20 30 GHEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1nc2ccc(Br)cc2[nH]1 ZINC000580252718 837319881 /nfs/dbraw/zinc/31/98/81/837319881.db2.gz FIKSJUUNVTZADN-UHFFFAOYSA-N 1 2 399.292 3.846 20 30 GHEDLO Cc1cnc(C#N)c(NCC2([NH+](Cc3ccccc3)Cc3ccccc3)COC2)n1 ZINC001167284873 837342984 /nfs/dbraw/zinc/34/29/84/837342984.db2.gz WPBRPDMRACPQRW-UHFFFAOYSA-N 1 2 399.498 3.540 20 30 GHEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(-c2c(F)cccc2F)o1 ZINC000180586801 837371172 /nfs/dbraw/zinc/37/11/72/837371172.db2.gz ZGVKWMHEWHLYGW-CQSZACIVSA-N 1 2 395.413 3.597 20 30 GHEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(-c2c(F)cccc2F)o1 ZINC000180586801 837371184 /nfs/dbraw/zinc/37/11/84/837371184.db2.gz ZGVKWMHEWHLYGW-CQSZACIVSA-N 1 2 395.413 3.597 20 30 GHEDLO N#Cc1cccc(OC2CC[NH+](Cc3ccn(-c4ccccc4F)n3)CC2)c1 ZINC000188950317 838000852 /nfs/dbraw/zinc/00/08/52/838000852.db2.gz PLBHVFKJDLSNPH-UHFFFAOYSA-N 1 2 376.435 3.926 20 30 GHEDLO COc1cc(C#N)ccc1OCC(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000377473556 839584677 /nfs/dbraw/zinc/58/46/77/839584677.db2.gz RSYDPDUIBQJPQU-UHFFFAOYSA-N 1 2 376.416 3.591 20 30 GHEDLO N#Cc1ccc(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)c(F)c1 ZINC001125901937 840717076 /nfs/dbraw/zinc/71/70/76/840717076.db2.gz RWEWSFOMZZNLOQ-UHFFFAOYSA-N 1 2 388.406 3.586 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000511859577 841011838 /nfs/dbraw/zinc/01/18/38/841011838.db2.gz MVWIJZVWTZEXIJ-MRXNPFEDSA-N 1 2 378.501 3.881 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000511859577 841011846 /nfs/dbraw/zinc/01/18/46/841011846.db2.gz MVWIJZVWTZEXIJ-MRXNPFEDSA-N 1 2 378.501 3.881 20 30 GHEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@H]3c3ncc[nH]3)sc2C1 ZINC000334047015 841080868 /nfs/dbraw/zinc/08/08/68/841080868.db2.gz QJXCXZTUSAHJFB-CJNGLKHVSA-N 1 2 383.521 3.633 20 30 GHEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCC[C@H]3c3ncc[nH]3)sc2C1 ZINC000334047015 841080881 /nfs/dbraw/zinc/08/08/81/841080881.db2.gz QJXCXZTUSAHJFB-CJNGLKHVSA-N 1 2 383.521 3.633 20 30 GHEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1nnc(-c2ccccc2Cl)o1 ZINC000581480839 841520406 /nfs/dbraw/zinc/52/04/06/841520406.db2.gz CBBRYAGXSFLTEP-UHFFFAOYSA-N 1 2 382.851 3.910 20 30 GHEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1nnc(-c2ccccc2Cl)o1 ZINC000581480839 841520411 /nfs/dbraw/zinc/52/04/11/841520411.db2.gz CBBRYAGXSFLTEP-UHFFFAOYSA-N 1 2 382.851 3.910 20 30 GHEDLO C=CCCn1cc(CNc2[nH+]c3ccc(Br)cc3n2CC)nn1 ZINC000656771825 841910096 /nfs/dbraw/zinc/91/00/96/841910096.db2.gz GCXRKWMHGMCUOY-UHFFFAOYSA-N 1 2 375.274 3.598 20 30 GHEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ncncc2-c2ccccc2)CC1 ZINC000329291369 861257043 /nfs/dbraw/zinc/25/70/43/861257043.db2.gz NKWDFJLUXDAQML-QGZVFWFLSA-N 1 2 379.508 3.553 20 30 GHEDLO N#CCCN(C(=O)C[NH+]1CCC(Oc2cccc(F)c2)CC1)c1ccccc1 ZINC000599505294 861259380 /nfs/dbraw/zinc/25/93/80/861259380.db2.gz ZBEGOPZODMBHCI-UHFFFAOYSA-N 1 2 381.451 3.616 20 30 GHEDLO CC(C)Oc1ccc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1C#N ZINC000157901679 842072069 /nfs/dbraw/zinc/07/20/69/842072069.db2.gz GYOYXZZTNPSGNS-UHFFFAOYSA-N 1 2 379.464 3.531 20 30 GHEDLO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000131256414 861284512 /nfs/dbraw/zinc/28/45/12/861284512.db2.gz LWUXJHXESBRKIB-HXUWFJFHSA-N 1 2 388.446 3.685 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c1C#N ZINC000603903377 861359024 /nfs/dbraw/zinc/35/90/24/861359024.db2.gz XRFNNFCYCRGBDK-KRWDZBQOSA-N 1 2 394.523 3.633 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c1C#N ZINC000603903377 861359041 /nfs/dbraw/zinc/35/90/41/861359041.db2.gz XRFNNFCYCRGBDK-KRWDZBQOSA-N 1 2 394.523 3.633 20 30 GHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCc3ccc(C#N)c(F)c3)n2)C1 ZINC000572111296 842968878 /nfs/dbraw/zinc/96/88/78/842968878.db2.gz BUIITHHTGWZXPX-ZDUSSCGKSA-N 1 2 387.484 3.707 20 30 GHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCc3ccc(C#N)c(F)c3)n2)C1 ZINC000572111296 842968882 /nfs/dbraw/zinc/96/88/82/842968882.db2.gz BUIITHHTGWZXPX-ZDUSSCGKSA-N 1 2 387.484 3.707 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)CCCc3ccccc3)C2)c(F)c1 ZINC000510596444 843015788 /nfs/dbraw/zinc/01/57/88/843015788.db2.gz JWBQGLRCLODLCP-NRFANRHFSA-N 1 2 379.479 3.801 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)CCCc3ccccc3)C2)c(F)c1 ZINC000510596444 843015792 /nfs/dbraw/zinc/01/57/92/843015792.db2.gz JWBQGLRCLODLCP-NRFANRHFSA-N 1 2 379.479 3.801 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000512201773 843077993 /nfs/dbraw/zinc/07/79/93/843077993.db2.gz ZXSQAMFUSBAVRX-CQSZACIVSA-N 1 2 394.418 3.779 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000512201773 843078003 /nfs/dbraw/zinc/07/80/03/843078003.db2.gz ZXSQAMFUSBAVRX-CQSZACIVSA-N 1 2 394.418 3.779 20 30 GHEDLO COC(=O)[C@]1([NH2+]CCCC(C)(C)C#N)CCc2cc(Br)ccc2C1 ZINC000599594261 861379355 /nfs/dbraw/zinc/37/93/55/861379355.db2.gz JFRKUDCEJMPUEE-IBGZPJMESA-N 1 2 393.325 3.769 20 30 GHEDLO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(c3ccc(F)c(F)c3)CC2)C1=O ZINC000610581680 843100315 /nfs/dbraw/zinc/10/03/15/843100315.db2.gz KEBSNVDNKQKGLS-GOSISDBHSA-N 1 2 387.455 3.883 20 30 GHEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]1c1ccc(Br)cc1C ZINC000599637436 861432611 /nfs/dbraw/zinc/43/26/11/861432611.db2.gz VBDIFMCAQYEIRY-KRWDZBQOSA-N 1 2 378.314 3.657 20 30 GHEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]1c1ccc(Br)cc1C ZINC000599637436 861432616 /nfs/dbraw/zinc/43/26/16/861432616.db2.gz VBDIFMCAQYEIRY-KRWDZBQOSA-N 1 2 378.314 3.657 20 30 GHEDLO C[C@H](c1cccc(NC(=O)N2CCC[C@@H]2C2CCOCC2)c1)[NH+]1CCOCC1 ZINC000329452189 861456941 /nfs/dbraw/zinc/45/69/41/861456941.db2.gz LTYBLRUVIACHKX-DYESRHJHSA-N 1 2 387.524 3.516 20 30 GHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000176088815 843821540 /nfs/dbraw/zinc/82/15/40/843821540.db2.gz DBHANZAXPYHPQT-UHFFFAOYSA-N 1 2 381.455 3.863 20 30 GHEDLO N#CCc1cccc2c1CC[N@@H+](CC(=O)N(Cc1ccco1)Cc1ccccc1)C2 ZINC000599674982 861472365 /nfs/dbraw/zinc/47/23/65/861472365.db2.gz FMPBKXSXBWHFCX-UHFFFAOYSA-N 1 2 399.494 3.933 20 30 GHEDLO N#CCc1cccc2c1CC[N@H+](CC(=O)N(Cc1ccco1)Cc1ccccc1)C2 ZINC000599674982 861472369 /nfs/dbraw/zinc/47/23/69/861472369.db2.gz FMPBKXSXBWHFCX-UHFFFAOYSA-N 1 2 399.494 3.933 20 30 GHEDLO C[N@H+](Cc1ccccc1OC(F)(F)F)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000433280540 843951979 /nfs/dbraw/zinc/95/19/79/843951979.db2.gz CIRBBUOPZABBAT-CQSZACIVSA-N 1 2 395.406 3.756 20 30 GHEDLO C[N@@H+](Cc1ccccc1OC(F)(F)F)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000433280540 843951982 /nfs/dbraw/zinc/95/19/82/843951982.db2.gz CIRBBUOPZABBAT-CQSZACIVSA-N 1 2 395.406 3.756 20 30 GHEDLO C=CCN1CC[C@@H]([N@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)C1=O ZINC000433304563 843991413 /nfs/dbraw/zinc/99/14/13/843991413.db2.gz NDLCUVIPKPNRGU-SJORKVTESA-N 1 2 382.426 3.644 20 30 GHEDLO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)C1=O ZINC000433304563 843991416 /nfs/dbraw/zinc/99/14/16/843991416.db2.gz NDLCUVIPKPNRGU-SJORKVTESA-N 1 2 382.426 3.644 20 30 GHEDLO CCOc1ccccc1C(=O)N1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614160936 844792632 /nfs/dbraw/zinc/79/26/32/844792632.db2.gz XGESAVZEZIRLPX-UHFFFAOYSA-N 1 2 391.515 3.844 20 30 GHEDLO CC(C)C[C@H](C)n1nccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000481485547 861501941 /nfs/dbraw/zinc/50/19/41/861501941.db2.gz YSRBRYQQDHYTDZ-SFHVURJKSA-N 1 2 394.523 3.712 20 30 GHEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)NC1(c2cccc(C#N)c2)CC1)c1ccccc1 ZINC000610985931 844996209 /nfs/dbraw/zinc/99/62/09/844996209.db2.gz VVHKMXYLPKERIN-HXUWFJFHSA-N 1 2 385.471 3.564 20 30 GHEDLO COc1cc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1Cl ZINC000433609750 845085809 /nfs/dbraw/zinc/08/58/09/845085809.db2.gz WCCUELWGISQGJI-UHFFFAOYSA-N 1 2 384.867 3.570 20 30 GHEDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CCC[C@H]1C1CCOCC1 ZINC000329491454 861537147 /nfs/dbraw/zinc/53/71/47/861537147.db2.gz SUMHHBNAAGDXSF-KRWDZBQOSA-N 1 2 378.542 3.566 20 30 GHEDLO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)cc1OC ZINC000657208961 845212084 /nfs/dbraw/zinc/21/20/84/845212084.db2.gz JTKBFDKYOGTREN-ZBFHGGJFSA-N 1 2 382.298 3.633 20 30 GHEDLO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)cc1OC ZINC000657208961 845212098 /nfs/dbraw/zinc/21/20/98/845212098.db2.gz JTKBFDKYOGTREN-ZBFHGGJFSA-N 1 2 382.298 3.633 20 30 GHEDLO COc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512811723 845631532 /nfs/dbraw/zinc/63/15/32/845631532.db2.gz KGTYIPAZMIKLTJ-OAHLLOKOSA-N 1 2 397.450 3.576 20 30 GHEDLO CC[C@@]1(CO)CCC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000548630255 845932531 /nfs/dbraw/zinc/93/25/31/845932531.db2.gz UYNHKIDBWRESDP-QVKFZJNVSA-N 1 2 389.565 3.700 20 30 GHEDLO CC[C@@]1(CO)CCC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000548630255 845932535 /nfs/dbraw/zinc/93/25/35/845932535.db2.gz UYNHKIDBWRESDP-QVKFZJNVSA-N 1 2 389.565 3.700 20 30 GHEDLO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)Cc1ccncc1 ZINC000502718538 846376794 /nfs/dbraw/zinc/37/67/94/846376794.db2.gz PYQHNQVCYDRRSG-UHFFFAOYSA-N 1 2 387.487 3.821 20 30 GHEDLO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)Cc1ccncc1 ZINC000502718538 846376804 /nfs/dbraw/zinc/37/68/04/846376804.db2.gz PYQHNQVCYDRRSG-UHFFFAOYSA-N 1 2 387.487 3.821 20 30 GHEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000246650969 846387887 /nfs/dbraw/zinc/38/78/87/846387887.db2.gz KFAUKYGPGOIEEJ-JKSUJKDBSA-N 1 2 375.900 3.524 20 30 GHEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000246650969 846387889 /nfs/dbraw/zinc/38/78/89/846387889.db2.gz KFAUKYGPGOIEEJ-JKSUJKDBSA-N 1 2 375.900 3.524 20 30 GHEDLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H]2CCCc3cc(C#N)ccc32)c1C ZINC000419637888 846708923 /nfs/dbraw/zinc/70/89/23/846708923.db2.gz KTOGNVJPSSNURW-IBGZPJMESA-N 1 2 378.476 3.798 20 30 GHEDLO C[C@@]1(NC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CCO[C@@H]1C1CC1 ZINC000329606851 861756472 /nfs/dbraw/zinc/75/64/72/861756472.db2.gz IEDNGQHQXXUMMX-DENIHFKCSA-N 1 2 380.492 3.979 20 30 GHEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(N3CCc4ccccc43)CC2)cc1Cl ZINC000503427216 847700021 /nfs/dbraw/zinc/70/00/21/847700021.db2.gz CMVSLEBMLLIVLB-UHFFFAOYSA-N 1 2 394.906 3.677 20 30 GHEDLO N#Cc1ccc(C2=CCN(C(=O)NCc3ccccc3-n3cc[nH+]c3)CC2)cc1 ZINC000502307420 847742652 /nfs/dbraw/zinc/74/26/52/847742652.db2.gz UFMYRAXEPCVPNY-UHFFFAOYSA-N 1 2 383.455 3.743 20 30 GHEDLO COc1ccc([C@H]([NH2+]Cc2cccc(OCCCC#N)c2)c2nccn2C)cc1 ZINC000237363870 848067131 /nfs/dbraw/zinc/06/71/31/848067131.db2.gz IJDCEKXGEJPRKY-QFIPXVFZSA-N 1 2 390.487 3.990 20 30 GHEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)ccc1Cl ZINC000135571162 848145517 /nfs/dbraw/zinc/14/55/17/848145517.db2.gz YMAHPOSREPNAFY-LJQANCHMSA-N 1 2 399.926 3.638 20 30 GHEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+](C)[C@@H]2CCCc3c2cnn3C)ccc1Cl ZINC000135571162 848145520 /nfs/dbraw/zinc/14/55/20/848145520.db2.gz YMAHPOSREPNAFY-LJQANCHMSA-N 1 2 399.926 3.638 20 30 GHEDLO N#Cc1cnc(Nc2ccc(-c3[nH]cc[nH+]3)cc2)c(I)c1 ZINC001213086316 848698549 /nfs/dbraw/zinc/69/85/49/848698549.db2.gz NMJZVOZRSPFGDM-UHFFFAOYSA-N 1 2 387.184 3.692 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+]2CCC[C@@H]2C[C@@H](C)O)c1=S ZINC000155460378 849518834 /nfs/dbraw/zinc/51/88/34/849518834.db2.gz JXPMCYPNZRYVNF-RHSMWYFYSA-N 1 2 376.501 3.599 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)c1=S ZINC000155460378 849518842 /nfs/dbraw/zinc/51/88/42/849518842.db2.gz JXPMCYPNZRYVNF-RHSMWYFYSA-N 1 2 376.501 3.599 20 30 GHEDLO N#Cc1ccc(CNC(=O)C[N@@H+](Cc2cc(F)ccc2F)C2CCCC2)cc1 ZINC000434909235 849891440 /nfs/dbraw/zinc/89/14/40/849891440.db2.gz KADQELFYALPCMT-UHFFFAOYSA-N 1 2 383.442 3.897 20 30 GHEDLO N#Cc1ccc(CNC(=O)C[N@H+](Cc2cc(F)ccc2F)C2CCCC2)cc1 ZINC000434909235 849891447 /nfs/dbraw/zinc/89/14/47/849891447.db2.gz KADQELFYALPCMT-UHFFFAOYSA-N 1 2 383.442 3.897 20 30 GHEDLO C[C@H](Cc1ccccc1Cl)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000513809291 849920466 /nfs/dbraw/zinc/92/04/66/849920466.db2.gz HZDAJTINYIPFKT-QGZVFWFLSA-N 1 2 381.907 3.735 20 30 GHEDLO COc1ccc2cccc(CC(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)c2c1 ZINC000513810765 849928595 /nfs/dbraw/zinc/92/85/95/849928595.db2.gz HEVZWVDYLHMFAH-UHFFFAOYSA-N 1 2 399.494 3.607 20 30 GHEDLO Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000434988936 849976014 /nfs/dbraw/zinc/97/60/14/849976014.db2.gz YDTIVTDPBWBBBP-VWLOTQADSA-N 1 2 399.542 3.931 20 30 GHEDLO C=CCCc1ccccc1NC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000505024321 850534033 /nfs/dbraw/zinc/53/40/33/850534033.db2.gz SNYBYNNZPUXOBU-QFIPXVFZSA-N 1 2 393.531 3.870 20 30 GHEDLO CNc1cc(N2CCC[C@H]2CNC(=O)c2cnn(C3CCCCC3)c2C)nc[nH+]1 ZINC000329705077 862160690 /nfs/dbraw/zinc/16/06/90/862160690.db2.gz JXNLUZXBZYLXKJ-KRWDZBQOSA-N 1 2 397.527 3.502 20 30 GHEDLO CNc1cc(N2CCC[C@H]2CNC(=O)c2cnn(C3CCCCC3)c2C)[nH+]cn1 ZINC000329705077 862160700 /nfs/dbraw/zinc/16/07/00/862160700.db2.gz JXNLUZXBZYLXKJ-KRWDZBQOSA-N 1 2 397.527 3.502 20 30 GHEDLO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+]2CCC=C(C)C2)cc1 ZINC000436251998 851381486 /nfs/dbraw/zinc/38/14/86/851381486.db2.gz GVTYMTDUTCKDDZ-UHFFFAOYSA-N 1 2 378.476 3.565 20 30 GHEDLO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+]2CCC=C(C)C2)cc1 ZINC000436251998 851381496 /nfs/dbraw/zinc/38/14/96/851381496.db2.gz GVTYMTDUTCKDDZ-UHFFFAOYSA-N 1 2 378.476 3.565 20 30 GHEDLO CC[C@H]1C[N@H+](CCNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CCO1 ZINC000488309530 851396941 /nfs/dbraw/zinc/39/69/41/851396941.db2.gz DUBHHSCSDIMWRA-IBGZPJMESA-N 1 2 394.475 3.583 20 30 GHEDLO CC[C@H]1C[N@@H+](CCNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CCO1 ZINC000488309530 851396946 /nfs/dbraw/zinc/39/69/46/851396946.db2.gz DUBHHSCSDIMWRA-IBGZPJMESA-N 1 2 394.475 3.583 20 30 GHEDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)Nc2cccc(CC#N)c2)c2ccc(Cl)cc2)C1 ZINC000515784472 851473744 /nfs/dbraw/zinc/47/37/44/851473744.db2.gz CNKMLDOQVZZBFT-VQTJNVASSA-N 1 2 398.894 3.599 20 30 GHEDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)Nc2cccc(CC#N)c2)c2ccc(Cl)cc2)C1 ZINC000515784472 851473753 /nfs/dbraw/zinc/47/37/53/851473753.db2.gz CNKMLDOQVZZBFT-VQTJNVASSA-N 1 2 398.894 3.599 20 30 GHEDLO O=C(NCC#Cc1ccccc1)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000061660951 862277201 /nfs/dbraw/zinc/27/72/01/862277201.db2.gz CPUQAFFQOWCTGM-FQEVSTJZSA-N 1 2 399.897 3.967 20 30 GHEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000488891542 851848662 /nfs/dbraw/zinc/84/86/62/851848662.db2.gz BPEPXLSLIBOMQM-APWZRJJASA-N 1 2 377.410 3.657 20 30 GHEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000488891542 851848672 /nfs/dbraw/zinc/84/86/72/851848672.db2.gz BPEPXLSLIBOMQM-APWZRJJASA-N 1 2 377.410 3.657 20 30 GHEDLO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[N@H+](C)[C@H]3CCOC3)sc2C1 ZINC000427024384 852644343 /nfs/dbraw/zinc/64/43/43/852644343.db2.gz SLSVVBVSBIXLRZ-GJZGRUSLSA-N 1 2 389.565 3.820 20 30 GHEDLO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[N@@H+](C)[C@H]3CCOC3)sc2C1 ZINC000427024384 852644346 /nfs/dbraw/zinc/64/43/46/852644346.db2.gz SLSVVBVSBIXLRZ-GJZGRUSLSA-N 1 2 389.565 3.820 20 30 GHEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000438653561 852668257 /nfs/dbraw/zinc/66/82/57/852668257.db2.gz FTOBSQSCONXDLM-CQSZACIVSA-N 1 2 379.395 3.896 20 30 GHEDLO CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C[C@@H](C#N)CCC#N)CC1 ZINC000507551619 853019412 /nfs/dbraw/zinc/01/94/12/853019412.db2.gz MQUZZQKAQNIHEP-VQIMIIECSA-N 1 2 389.341 3.961 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1 ZINC000517264577 853594812 /nfs/dbraw/zinc/59/48/12/853594812.db2.gz KPJGVEZLYXHKRO-UNMCSNQZSA-N 1 2 381.520 3.584 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1 ZINC000517264577 853594824 /nfs/dbraw/zinc/59/48/24/853594824.db2.gz KPJGVEZLYXHKRO-UNMCSNQZSA-N 1 2 381.520 3.584 20 30 GHEDLO C=CCn1c2ccccc2n(C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)c1=S ZINC000732797987 862498941 /nfs/dbraw/zinc/49/89/41/862498941.db2.gz UVGDWXZAEGOENZ-QGZVFWFLSA-N 1 2 384.549 3.793 20 30 GHEDLO C=CCn1c2ccccc2n(C[N@H+]2CCC[C@@H](N3CCCCC3=O)C2)c1=S ZINC000732797987 862498946 /nfs/dbraw/zinc/49/89/46/862498946.db2.gz UVGDWXZAEGOENZ-QGZVFWFLSA-N 1 2 384.549 3.793 20 30 GHEDLO N#CC[C@@H](Cc1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1)c1ccccc1 ZINC000481919382 862516333 /nfs/dbraw/zinc/51/63/33/862516333.db2.gz ITRJLMNTQDQEHU-FQEVSTJZSA-N 1 2 388.471 3.809 20 30 GHEDLO Cc1cc(C#N)cc(N2CC[NH+]([C@H](C)c3ccc(Br)cc3)CC2)n1 ZINC000587986302 854058262 /nfs/dbraw/zinc/05/82/62/854058262.db2.gz HRYGQHATKZYYDT-OAHLLOKOSA-N 1 2 385.309 3.907 20 30 GHEDLO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)N[C@H]1CCCC12CCOCC2 ZINC000328708505 854517089 /nfs/dbraw/zinc/51/70/89/854517089.db2.gz MICMBLJYEUEWIU-IBGZPJMESA-N 1 2 391.943 3.551 20 30 GHEDLO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)N[C@H]1CCCC12CCOCC2 ZINC000328708505 854517099 /nfs/dbraw/zinc/51/70/99/854517099.db2.gz MICMBLJYEUEWIU-IBGZPJMESA-N 1 2 391.943 3.551 20 30 GHEDLO Cc1nc([C@@H]2CCCN2C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)no1 ZINC000328849185 854576012 /nfs/dbraw/zinc/57/60/12/854576012.db2.gz YPPNHYIOVHMKTG-SFHVURJKSA-N 1 2 390.447 3.676 20 30 GHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[C@@H](C4CCOCC4)C3)n2)C1 ZINC000328856389 854580267 /nfs/dbraw/zinc/58/02/67/854580267.db2.gz UFNFXTHACFKUCB-DOTOQJQBSA-N 1 2 392.569 3.669 20 30 GHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[C@@H](C4CCOCC4)C3)n2)C1 ZINC000328856389 854580275 /nfs/dbraw/zinc/58/02/75/854580275.db2.gz UFNFXTHACFKUCB-DOTOQJQBSA-N 1 2 392.569 3.669 20 30 GHEDLO CCO[C@@H]1C[C@H](NC(=O)c2ccccc2C[NH+]2CCOCC2)C12CCCCC2 ZINC000330138265 862605797 /nfs/dbraw/zinc/60/57/97/862605797.db2.gz VKTSWVFOWMRZFD-LEWJYISDSA-N 1 2 386.536 3.951 20 30 GHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1c(F)cc(C#N)cc1F ZINC000153903629 854868537 /nfs/dbraw/zinc/86/85/37/854868537.db2.gz GFRSWGQIQONAOJ-UHFFFAOYSA-N 1 2 384.430 3.610 20 30 GHEDLO C[C@H]1CCN(C(=O)Nc2cnn(-c3ccc(Cl)cc3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000330147301 862614540 /nfs/dbraw/zinc/61/45/40/862614540.db2.gz INHUXBVUBXPMQU-KSSFIOAISA-N 1 2 384.871 3.851 20 30 GHEDLO C[C@H]1CCN(C([O-])=[NH+]c2cnn(-c3ccc(Cl)cc3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000330147301 862614547 /nfs/dbraw/zinc/61/45/47/862614547.db2.gz INHUXBVUBXPMQU-KSSFIOAISA-N 1 2 384.871 3.851 20 30 GHEDLO Cc1nc(N2CCN(C(=O)N[C@@H]3CCCc4sc(Cl)cc43)CC2)cc[nH+]1 ZINC000330205173 862660924 /nfs/dbraw/zinc/66/09/24/862660924.db2.gz CEMWTQNMOQAGSL-CQSZACIVSA-N 1 2 391.928 3.614 20 30 GHEDLO COc1cc(CN2CCC[C@](C)(C#N)C2)cc(C[N@@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000590115649 855285648 /nfs/dbraw/zinc/28/56/48/855285648.db2.gz LHLORRLPZCOEAO-ZRZAMGCNSA-N 1 2 380.536 3.947 20 30 GHEDLO COc1cc(CN2CCC[C@](C)(C#N)C2)cc(C[N@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000590115649 855285655 /nfs/dbraw/zinc/28/56/55/855285655.db2.gz LHLORRLPZCOEAO-ZRZAMGCNSA-N 1 2 380.536 3.947 20 30 GHEDLO COc1cc(CN2CCC[C@@](C)(C#N)C2)cc(C[N@@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000590115649 855285661 /nfs/dbraw/zinc/28/56/61/855285661.db2.gz LHLORRLPZCOEAO-ZRZAMGCNSA-N 1 2 380.536 3.947 20 30 GHEDLO COc1cc(CN2CCC[C@@](C)(C#N)C2)cc(C[N@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000590115649 855285668 /nfs/dbraw/zinc/28/56/68/855285668.db2.gz LHLORRLPZCOEAO-ZRZAMGCNSA-N 1 2 380.536 3.947 20 30 GHEDLO COc1cccc2c1C[N@@H+]([C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)CC2 ZINC000590759796 855565911 /nfs/dbraw/zinc/56/59/11/855565911.db2.gz OJLOHIHKYKVZAO-MRXNPFEDSA-N 1 2 381.451 3.528 20 30 GHEDLO COc1cccc2c1C[N@H+]([C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)CC2 ZINC000590759796 855565917 /nfs/dbraw/zinc/56/59/17/855565917.db2.gz OJLOHIHKYKVZAO-MRXNPFEDSA-N 1 2 381.451 3.528 20 30 GHEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056730167 855641887 /nfs/dbraw/zinc/64/18/87/855641887.db2.gz KBXBPXFBNDRTAZ-UHFFFAOYSA-N 1 2 375.432 3.853 20 30 GHEDLO Cc1cc(C)c(NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000507784423 855775649 /nfs/dbraw/zinc/77/56/49/855775649.db2.gz LDXBHHPSTCIVBQ-UHFFFAOYSA-N 1 2 377.488 3.965 20 30 GHEDLO CC(C)c1cc(N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)nc(C(C)C)[nH+]1 ZINC000302718156 855916403 /nfs/dbraw/zinc/91/64/03/855916403.db2.gz KFGBOYMBCROTHU-GOSISDBHSA-N 1 2 377.492 3.808 20 30 GHEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000063401211 855918201 /nfs/dbraw/zinc/91/82/01/855918201.db2.gz AMNOTOVHYFCAJG-UHFFFAOYSA-N 1 2 389.503 3.841 20 30 GHEDLO CCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(Cl)c(C#N)c3)c2C1 ZINC000171346059 856097696 /nfs/dbraw/zinc/09/76/96/856097696.db2.gz DMVHZIZQGXHCAA-UHFFFAOYSA-N 1 2 375.881 3.738 20 30 GHEDLO CCC[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(Cl)c(C#N)c3)c2C1 ZINC000171346059 856097700 /nfs/dbraw/zinc/09/77/00/856097700.db2.gz DMVHZIZQGXHCAA-UHFFFAOYSA-N 1 2 375.881 3.738 20 30 GHEDLO CC1(C)C[N@H+](CCNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CCO1 ZINC000171838298 856281912 /nfs/dbraw/zinc/28/19/12/856281912.db2.gz HOXKFXHACDJMNF-UHFFFAOYSA-N 1 2 394.475 3.583 20 30 GHEDLO CC1(C)C[N@@H+](CCNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CCO1 ZINC000171838298 856281921 /nfs/dbraw/zinc/28/19/21/856281921.db2.gz HOXKFXHACDJMNF-UHFFFAOYSA-N 1 2 394.475 3.583 20 30 GHEDLO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c(F)c1 ZINC000507824660 856460327 /nfs/dbraw/zinc/46/03/27/856460327.db2.gz PMAVFTHHYPQJOD-INIZCTEOSA-N 1 2 381.451 3.876 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cccc(-n4cccc4)c3)CC2)cc1 ZINC000110896343 856698015 /nfs/dbraw/zinc/69/80/15/856698015.db2.gz IGWJNSXAZKRYBN-UHFFFAOYSA-N 1 2 385.471 3.699 20 30 GHEDLO CC1CC[NH+](Cc2csc(NC(=O)c3ncc(C#N)cc3Cl)n2)CC1 ZINC000427921991 856892518 /nfs/dbraw/zinc/89/25/18/856892518.db2.gz JTPPVZWTGBEBMA-UHFFFAOYSA-N 1 2 375.885 3.547 20 30 GHEDLO N#CC[C@@]1(O)CC[N@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000592524237 856919272 /nfs/dbraw/zinc/91/92/72/856919272.db2.gz WLRJZIKTLGSRCK-LJQANCHMSA-N 1 2 387.823 3.891 20 30 GHEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000592524237 856919275 /nfs/dbraw/zinc/91/92/75/856919275.db2.gz WLRJZIKTLGSRCK-LJQANCHMSA-N 1 2 387.823 3.891 20 30 GHEDLO CC(C)O[C@@H]1CCC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000593055235 857204317 /nfs/dbraw/zinc/20/43/17/857204317.db2.gz ITYMBGRRRNCGEY-OAHLLOKOSA-N 1 2 375.538 3.717 20 30 GHEDLO CC(C)O[C@@H]1CCC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000593055235 857204320 /nfs/dbraw/zinc/20/43/20/857204320.db2.gz ITYMBGRRRNCGEY-OAHLLOKOSA-N 1 2 375.538 3.717 20 30 GHEDLO C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1cc2ccccc2o1 ZINC000175184561 857459507 /nfs/dbraw/zinc/45/95/07/857459507.db2.gz UEIMLOLVNSTMAI-UHFFFAOYSA-N 1 2 385.427 3.561 20 30 GHEDLO C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1cc2ccccc2o1 ZINC000175184561 857459509 /nfs/dbraw/zinc/45/95/09/857459509.db2.gz UEIMLOLVNSTMAI-UHFFFAOYSA-N 1 2 385.427 3.561 20 30 GHEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000648716358 857631582 /nfs/dbraw/zinc/63/15/82/857631582.db2.gz FJMLEKFPGMZRJS-QGZVFWFLSA-N 1 2 375.925 3.976 20 30 GHEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000648716358 857631589 /nfs/dbraw/zinc/63/15/89/857631589.db2.gz FJMLEKFPGMZRJS-QGZVFWFLSA-N 1 2 375.925 3.976 20 30 GHEDLO N#Cc1cnc(C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)c(Cl)c1 ZINC000907813865 857788589 /nfs/dbraw/zinc/78/85/89/857788589.db2.gz AWVWKUGBGGPTKH-CQSZACIVSA-N 1 2 383.883 3.665 20 30 GHEDLO N#Cc1cnc(C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)c(Cl)c1 ZINC000907813865 857788602 /nfs/dbraw/zinc/78/86/02/857788602.db2.gz AWVWKUGBGGPTKH-CQSZACIVSA-N 1 2 383.883 3.665 20 30 GHEDLO Cn1c[nH+]cc1[C@H]1C[C@@H](NC(=O)Nc2ccc(OC3CCC3)c(F)c2)CCO1 ZINC000330348261 863031280 /nfs/dbraw/zinc/03/12/80/863031280.db2.gz IOFBEPMBEPWEAW-IFXJQAMLSA-N 1 2 388.443 3.546 20 30 GHEDLO N#Cc1ccccc1OC1CCC(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000522100363 858610779 /nfs/dbraw/zinc/61/07/79/858610779.db2.gz XNSFVMOXARWZTD-UHFFFAOYSA-N 1 2 393.491 3.561 20 30 GHEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC000595621661 858620938 /nfs/dbraw/zinc/62/09/38/858620938.db2.gz XFJYNMIXBVYAKR-KRWDZBQOSA-N 1 2 380.517 3.938 20 30 GHEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC000595621661 858620944 /nfs/dbraw/zinc/62/09/44/858620944.db2.gz XFJYNMIXBVYAKR-KRWDZBQOSA-N 1 2 380.517 3.938 20 30 GHEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000595716305 858655813 /nfs/dbraw/zinc/65/58/13/858655813.db2.gz YJOAKFUMPDTXJY-BTYIYWSLSA-N 1 2 382.533 3.611 20 30 GHEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000595716305 858655815 /nfs/dbraw/zinc/65/58/15/858655815.db2.gz YJOAKFUMPDTXJY-BTYIYWSLSA-N 1 2 382.533 3.611 20 30 GHEDLO N#CCC[N@H+]1CC[C@@H](c2ccc(F)cc2)[C@H](COc2ccc3c(c2)OCO3)C1 ZINC000204629294 858837528 /nfs/dbraw/zinc/83/75/28/858837528.db2.gz PTKCOVAUFVXRFI-PXNSSMCTSA-N 1 2 382.435 3.953 20 30 GHEDLO N#CCC[N@@H+]1CC[C@@H](c2ccc(F)cc2)[C@H](COc2ccc3c(c2)OCO3)C1 ZINC000204629294 858837542 /nfs/dbraw/zinc/83/75/42/858837542.db2.gz PTKCOVAUFVXRFI-PXNSSMCTSA-N 1 2 382.435 3.953 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(OCc3ccccc3)CC2)c(C#N)c1C ZINC000042563608 858986619 /nfs/dbraw/zinc/98/66/19/858986619.db2.gz DDFRLXVTLIDJNI-INIZCTEOSA-N 1 2 381.476 3.776 20 30 GHEDLO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC000596845277 859090785 /nfs/dbraw/zinc/09/07/85/859090785.db2.gz DFONPYUSLXLPLU-HXUWFJFHSA-N 1 2 388.446 3.685 20 30 GHEDLO C[C@H](CC#N)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000596826618 859110976 /nfs/dbraw/zinc/11/09/76/859110976.db2.gz ULIKDGHAWCLIMN-OAHLLOKOSA-N 1 2 398.488 3.517 20 30 GHEDLO CC(C)[C@H]1C[N@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CCCO1 ZINC000550559268 859208774 /nfs/dbraw/zinc/20/87/74/859208774.db2.gz FAAGMKYZZPXHJH-FUHWJXTLSA-N 1 2 375.538 3.624 20 30 GHEDLO CC(C)[C@H]1C[N@@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CCCO1 ZINC000550559268 859208784 /nfs/dbraw/zinc/20/87/84/859208784.db2.gz FAAGMKYZZPXHJH-FUHWJXTLSA-N 1 2 375.538 3.624 20 30 GHEDLO COc1cc(C[NH2+]CC2(C#N)CCCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000597226995 859362280 /nfs/dbraw/zinc/36/22/80/859362280.db2.gz YYBGSQHODNSUQN-UHFFFAOYSA-N 1 2 383.395 3.811 20 30 GHEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000611552718 859809909 /nfs/dbraw/zinc/80/99/09/859809909.db2.gz JDODMOJXQDIHFR-QFIPXVFZSA-N 1 2 376.435 3.863 20 30 GHEDLO C[C@@H](CS(C)(=O)=O)[N@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)C1CC1 ZINC000093392822 860264244 /nfs/dbraw/zinc/26/42/44/860264244.db2.gz MYLASQCJOKDQDC-KRWDZBQOSA-N 1 2 398.528 3.535 20 30 GHEDLO C[C@@H](CS(C)(=O)=O)[N@@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)C1CC1 ZINC000093392822 860264252 /nfs/dbraw/zinc/26/42/52/860264252.db2.gz MYLASQCJOKDQDC-KRWDZBQOSA-N 1 2 398.528 3.535 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)cc1 ZINC000329413901 860354832 /nfs/dbraw/zinc/35/48/32/860354832.db2.gz CLAGXXSVCQXIMC-SFHVURJKSA-N 1 2 392.507 3.542 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)cc1 ZINC000329413901 860354846 /nfs/dbraw/zinc/35/48/46/860354846.db2.gz CLAGXXSVCQXIMC-SFHVURJKSA-N 1 2 392.507 3.542 20 30 GHEDLO CC(C)(c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1)c1ccc(C#N)cc1 ZINC000904497576 860491147 /nfs/dbraw/zinc/49/11/47/860491147.db2.gz GUSOPGMUSBCTSM-UHFFFAOYSA-N 1 2 388.471 3.766 20 30 GHEDLO COc1ccc(Cl)c2c1CCC[C@H]2[N@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000593691030 860883247 /nfs/dbraw/zinc/88/32/47/860883247.db2.gz JLNAWRPZNHRURH-QGZVFWFLSA-N 1 2 381.867 3.772 20 30 GHEDLO COc1ccc(Cl)c2c1CCC[C@H]2[N@@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000593691030 860883257 /nfs/dbraw/zinc/88/32/57/860883257.db2.gz JLNAWRPZNHRURH-QGZVFWFLSA-N 1 2 381.867 3.772 20 30 GHEDLO COc1cc(C=NNc2cc[nH+]c3ccccc23)ccc1OC(=O)c1ccncc1 ZINC000730148292 860898131 /nfs/dbraw/zinc/89/81/31/860898131.db2.gz PWRXCCWKSYBYHS-UHFFFAOYSA-N 1 2 398.422 3.726 20 30 GHEDLO CC[N@@H+](Cc1ccc(C)c(C#N)c1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000599260640 860992577 /nfs/dbraw/zinc/99/25/77/860992577.db2.gz HMVYBPMVRGRVIF-UHFFFAOYSA-N 1 2 392.459 3.555 20 30 GHEDLO CC[N@H+](Cc1ccc(C)c(C#N)c1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000599260640 860992586 /nfs/dbraw/zinc/99/25/86/860992586.db2.gz HMVYBPMVRGRVIF-UHFFFAOYSA-N 1 2 392.459 3.555 20 30 GHEDLO O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCC(n2cc[nH+]c2)CC1 ZINC000329132783 861052400 /nfs/dbraw/zinc/05/24/00/861052400.db2.gz YNMMSNXJWCAWST-UHFFFAOYSA-N 1 2 384.524 3.610 20 30 GHEDLO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000609206859 881701719 /nfs/dbraw/zinc/70/17/19/881701719.db2.gz JCWXXSRVDFKXAX-KRWDZBQOSA-N 1 2 394.475 3.501 20 30 GHEDLO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000609206859 881701732 /nfs/dbraw/zinc/70/17/32/881701732.db2.gz JCWXXSRVDFKXAX-KRWDZBQOSA-N 1 2 394.475 3.501 20 30 GHEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC000455939038 864074584 /nfs/dbraw/zinc/07/45/84/864074584.db2.gz GRSOHSMDJTWCKX-INIZCTEOSA-N 1 2 396.516 3.552 20 30 GHEDLO C=CCn1c(-c2ccoc2)nnc1N1CC[NH+]([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000508471843 864266083 /nfs/dbraw/zinc/26/60/83/864266083.db2.gz IBLOZZRMDMTYIJ-HNNXBMFYSA-N 1 2 399.445 3.886 20 30 GHEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000607755191 864705118 /nfs/dbraw/zinc/70/51/18/864705118.db2.gz OGJMSDGNPSNKGH-LXBDKUERSA-N 1 2 385.479 3.756 20 30 GHEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000607755191 864705125 /nfs/dbraw/zinc/70/51/25/864705125.db2.gz OGJMSDGNPSNKGH-LXBDKUERSA-N 1 2 385.479 3.756 20 30 GHEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000475289414 864719532 /nfs/dbraw/zinc/71/95/32/864719532.db2.gz AGQGUWODNDNWCP-FXAWDEMLSA-N 1 2 394.519 3.783 20 30 GHEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](Cc2ccc(N3CCCC3)nc2)CC1 ZINC000475351182 864832707 /nfs/dbraw/zinc/83/27/07/864832707.db2.gz LHOCMBQDHMWAIH-OAQYLSRUSA-N 1 2 395.938 3.718 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000105021617 865110730 /nfs/dbraw/zinc/11/07/30/865110730.db2.gz FDFCQPOCAGGJPT-UHFFFAOYSA-N 1 2 384.501 3.806 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000105021617 865110735 /nfs/dbraw/zinc/11/07/35/865110735.db2.gz FDFCQPOCAGGJPT-UHFFFAOYSA-N 1 2 384.501 3.806 20 30 GHEDLO C=CCn1c2nn(C[N@H+]3CCCCC[C@@H]3C)c(=S)n2c2ccccc2c1=O ZINC000738226096 865506213 /nfs/dbraw/zinc/50/62/13/865506213.db2.gz JZGJQRYMZHGISA-HNNXBMFYSA-N 1 2 383.521 3.588 20 30 GHEDLO C=CCn1c2nn(C[N@@H+]3CCCCC[C@@H]3C)c(=S)n2c2ccccc2c1=O ZINC000738226096 865506222 /nfs/dbraw/zinc/50/62/22/865506222.db2.gz JZGJQRYMZHGISA-HNNXBMFYSA-N 1 2 383.521 3.588 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H](O)C(F)(F)F)c(Br)c1 ZINC000481144453 865880047 /nfs/dbraw/zinc/88/00/47/865880047.db2.gz QAMGFSLHGFQXCZ-KGLIPLIRSA-N 1 2 377.204 3.598 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](O)C(F)(F)F)c(Br)c1 ZINC000481144453 865880056 /nfs/dbraw/zinc/88/00/56/865880056.db2.gz QAMGFSLHGFQXCZ-KGLIPLIRSA-N 1 2 377.204 3.598 20 30 GHEDLO CCc1ccc(O[C@@H](C)C(=O)N2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000609916558 866142375 /nfs/dbraw/zinc/14/23/75/866142375.db2.gz RUOXRQRXGKLGNY-MOPGFXCFSA-N 1 2 391.515 3.793 20 30 GHEDLO COc1cc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)c(SC)cc1OC ZINC000155259730 868415623 /nfs/dbraw/zinc/41/56/23/868415623.db2.gz MZWIJALXWFPMJK-IBGZPJMESA-N 1 2 397.544 3.808 20 30 GHEDLO CCC[N@H+](Cc1nc2ccccc2c(=O)n1CC#N)[C@H](C)c1ccccc1OC ZINC000744392102 868786858 /nfs/dbraw/zinc/78/68/58/868786858.db2.gz SSWNJVJTSUQNJQ-QGZVFWFLSA-N 1 2 390.487 3.902 20 30 GHEDLO CCC[N@@H+](Cc1nc2ccccc2c(=O)n1CC#N)[C@H](C)c1ccccc1OC ZINC000744392102 868786866 /nfs/dbraw/zinc/78/68/66/868786866.db2.gz SSWNJVJTSUQNJQ-QGZVFWFLSA-N 1 2 390.487 3.902 20 30 GHEDLO COC(=O)[C@H](c1ccc(C#N)cc1)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000744411832 868821048 /nfs/dbraw/zinc/82/10/48/868821048.db2.gz STQJEGBFZQLRNL-KKSFZXQISA-N 1 2 397.906 3.805 20 30 GHEDLO CCc1nc2c(s1)[C@@H]([N@H+](C)Cn1cc3c(c(C#N)c1=O)CCCC3)CCC2 ZINC000793503753 882250395 /nfs/dbraw/zinc/25/03/95/882250395.db2.gz KGVCTZZXQJRPCC-SFHVURJKSA-N 1 2 382.533 3.585 20 30 GHEDLO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cn1cc3c(c(C#N)c1=O)CCCC3)CCC2 ZINC000793503753 882250411 /nfs/dbraw/zinc/25/04/11/882250411.db2.gz KGVCTZZXQJRPCC-SFHVURJKSA-N 1 2 382.533 3.585 20 30 GHEDLO N#Cc1ccc(OCc2cccc(C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)c2)cc1 ZINC000152823361 869241909 /nfs/dbraw/zinc/24/19/09/869241909.db2.gz SMOZOBHZVACBJG-OAQYLSRUSA-N 1 2 398.466 3.541 20 30 GHEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(Br)cc3F)C2)nc1 ZINC000428787283 869293158 /nfs/dbraw/zinc/29/31/58/869293158.db2.gz KAFQENHATUTFHL-OAHLLOKOSA-N 1 2 376.229 3.508 20 30 GHEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(Br)cc3F)C2)nc1 ZINC000428787283 869293173 /nfs/dbraw/zinc/29/31/73/869293173.db2.gz KAFQENHATUTFHL-OAHLLOKOSA-N 1 2 376.229 3.508 20 30 GHEDLO NC(=NOCc1c(Cl)cccc1Cl)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000745450500 869568125 /nfs/dbraw/zinc/56/81/25/869568125.db2.gz FPNSKJWVNNYQKK-UHFFFAOYSA-N 1 2 394.302 3.663 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[C@@H]3c3c(F)cccc3Cl)CC2)cc1 ZINC000524851257 869675482 /nfs/dbraw/zinc/67/54/82/869675482.db2.gz VGDBFSJNJOXXPW-ROUUACIJSA-N 1 2 397.881 3.799 20 30 GHEDLO N#Cc1cccc(-c2c[nH]c(CNc3[nH+]cnc4c3cnn4-c3ccccc3)n2)c1 ZINC000539962683 870072903 /nfs/dbraw/zinc/07/29/03/870072903.db2.gz YTEKCEYRFUEFQI-UHFFFAOYSA-N 1 2 392.426 3.689 20 30 GHEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H]3c3cccc4c3OCCO4)o2)c1 ZINC000525274969 870306119 /nfs/dbraw/zinc/30/61/19/870306119.db2.gz NZPHUPJDQOIYIY-GOSISDBHSA-N 1 2 388.427 3.717 20 30 GHEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H]3c3cccc4c3OCCO4)o2)c1 ZINC000525274969 870306127 /nfs/dbraw/zinc/30/61/27/870306127.db2.gz NZPHUPJDQOIYIY-GOSISDBHSA-N 1 2 388.427 3.717 20 30 GHEDLO N#Cc1c2c(cn(C[N@H+]3CC[C@@H](Sc4cccc(Cl)c4)C3)c1=O)CCC2 ZINC000793792378 882413643 /nfs/dbraw/zinc/41/36/43/882413643.db2.gz PRDXKMMHTGUBSR-QGZVFWFLSA-N 1 2 385.920 3.686 20 30 GHEDLO N#Cc1c2c(cn(C[N@@H+]3CC[C@@H](Sc4cccc(Cl)c4)C3)c1=O)CCC2 ZINC000793792378 882413649 /nfs/dbraw/zinc/41/36/49/882413649.db2.gz PRDXKMMHTGUBSR-QGZVFWFLSA-N 1 2 385.920 3.686 20 30 GHEDLO N#Cc1cc(C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)c[nH]1 ZINC000181282182 870637407 /nfs/dbraw/zinc/63/74/07/870637407.db2.gz OGVUYXRUXYVRSB-UHFFFAOYSA-N 1 2 381.439 3.728 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccccc3OCC3CC3)CC2)cc1 ZINC000525449788 870707976 /nfs/dbraw/zinc/70/79/76/870707976.db2.gz YDKNDYZHUYCNAW-UHFFFAOYSA-N 1 2 390.487 3.697 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCc3cc(C#N)ccc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000618826229 872030495 /nfs/dbraw/zinc/03/04/95/872030495.db2.gz YBYSNEDWAWLIGS-ACRUOGEOSA-N 1 2 396.441 3.568 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)N[C@H]2CCc3cc(C#N)ccc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000618826229 872030502 /nfs/dbraw/zinc/03/05/02/872030502.db2.gz YBYSNEDWAWLIGS-ACRUOGEOSA-N 1 2 396.441 3.568 20 30 GHEDLO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(c2ccccc2Br)CC1 ZINC000526061718 872061649 /nfs/dbraw/zinc/06/16/49/872061649.db2.gz PEBOUESVQOVCSA-CQSZACIVSA-N 1 2 390.325 3.579 20 30 GHEDLO CCCc1nc(CO[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)cs1 ZINC000101907139 872360001 /nfs/dbraw/zinc/36/00/01/872360001.db2.gz SGYHHOFEQLALNF-UHFFFAOYSA-N 1 2 382.489 3.907 20 30 GHEDLO CCCCNc1ccccc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000478184369 872639601 /nfs/dbraw/zinc/63/96/01/872639601.db2.gz XAPJWZHUQVYRBO-UHFFFAOYSA-N 1 2 376.504 3.728 20 30 GHEDLO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000619734658 872932992 /nfs/dbraw/zinc/93/29/92/872932992.db2.gz IFGBTFSNAHCZND-RXVVDRJESA-N 1 2 389.503 3.668 20 30 GHEDLO Cc1ccc([C@H]([NH2+]CC(=O)N(C)C2(C#N)CCCCC2)c2ccccn2)cc1 ZINC000527318664 873002857 /nfs/dbraw/zinc/00/28/57/873002857.db2.gz PTEGISIGCXKWEC-QFIPXVFZSA-N 1 2 376.504 3.754 20 30 GHEDLO C#CCOc1ccccc1CN[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000768231672 873181261 /nfs/dbraw/zinc/18/12/61/873181261.db2.gz PFZMQXSCHHRDHJ-FGZHOGPDSA-N 1 2 384.907 3.514 20 30 GHEDLO C#CCOc1ccccc1CN[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000768231672 873181266 /nfs/dbraw/zinc/18/12/66/873181266.db2.gz PFZMQXSCHHRDHJ-FGZHOGPDSA-N 1 2 384.907 3.514 20 30 GHEDLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC001196769738 873377413 /nfs/dbraw/zinc/37/74/13/873377413.db2.gz ANHMDSVJXOAESJ-CZUORRHYSA-N 1 2 379.888 3.730 20 30 GHEDLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC001196769738 873377420 /nfs/dbraw/zinc/37/74/20/873377420.db2.gz ANHMDSVJXOAESJ-CZUORRHYSA-N 1 2 379.888 3.730 20 30 GHEDLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC001196769739 873377718 /nfs/dbraw/zinc/37/77/18/873377718.db2.gz ANHMDSVJXOAESJ-XJKSGUPXSA-N 1 2 379.888 3.730 20 30 GHEDLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC001196769739 873377730 /nfs/dbraw/zinc/37/77/30/873377730.db2.gz ANHMDSVJXOAESJ-XJKSGUPXSA-N 1 2 379.888 3.730 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858013071 882719820 /nfs/dbraw/zinc/71/98/20/882719820.db2.gz GILZVXYJRBLJBS-OXQOHEQNSA-N 1 2 390.487 3.701 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858013071 882719828 /nfs/dbraw/zinc/71/98/28/882719828.db2.gz GILZVXYJRBLJBS-OXQOHEQNSA-N 1 2 390.487 3.701 20 30 GHEDLO N#Cc1ccc(-c2ccc(C(=O)N3CC[C@H]([NH+]4CCCC4)C(F)(F)C3)o2)cc1 ZINC001197392507 873763794 /nfs/dbraw/zinc/76/37/94/873763794.db2.gz BDQGUCHNMIXLIO-IBGZPJMESA-N 1 2 385.414 3.764 20 30 GHEDLO COc1ccc(-c2nc(SCC[C@H]3CCCC[N@@H+]3C)[nH]c(=O)c2C#N)cc1 ZINC000769378945 874007670 /nfs/dbraw/zinc/00/76/70/874007670.db2.gz XTAYHHYZZXXXIB-OAHLLOKOSA-N 1 2 384.505 3.696 20 30 GHEDLO COc1ccc(-c2nc(SCC[C@H]3CCCC[N@H+]3C)[nH]c(=O)c2C#N)cc1 ZINC000769378945 874007688 /nfs/dbraw/zinc/00/76/88/874007688.db2.gz XTAYHHYZZXXXIB-OAHLLOKOSA-N 1 2 384.505 3.696 20 30 GHEDLO C#C[C@H]([NH2+][C@H](C(=O)Nc1ccccc1OCC)c1ccccc1)[C@@H]1CCCO1 ZINC000775788138 874047392 /nfs/dbraw/zinc/04/73/92/874047392.db2.gz CXSSBGCUZXNUMX-VCOUNFBDSA-N 1 2 378.472 3.536 20 30 GHEDLO CN(C)c1nc(C=[NH+]NCc2ccc(C#N)cc2)c(Cl)n1-c1ccccc1 ZINC000769813270 874303983 /nfs/dbraw/zinc/30/39/83/874303983.db2.gz DBPZVVZCDJLYSJ-UHFFFAOYSA-N 1 2 378.867 3.587 20 30 GHEDLO C#C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1F ZINC000804421882 882832668 /nfs/dbraw/zinc/83/26/68/882832668.db2.gz HBIKMZLQOHQGGB-INIZCTEOSA-N 1 2 398.781 3.677 20 30 GHEDLO COc1ccc(OCC[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c([N+](=O)[O-])c1 ZINC000464810563 874534114 /nfs/dbraw/zinc/53/41/14/874534114.db2.gz FSBYWWZKYAJOMB-MOPGFXCFSA-N 1 2 381.432 3.754 20 30 GHEDLO COc1ccc(OCC[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c([N+](=O)[O-])c1 ZINC000464810563 874534121 /nfs/dbraw/zinc/53/41/21/874534121.db2.gz FSBYWWZKYAJOMB-MOPGFXCFSA-N 1 2 381.432 3.754 20 30 GHEDLO C[C@H]([NH2+]Cc1ccccc1C#N)c1ccc(Br)cc1OCCCO ZINC000463031133 874716284 /nfs/dbraw/zinc/71/62/84/874716284.db2.gz XAWFFZHMQFTPHA-AWEZNQCLSA-N 1 2 389.293 3.933 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)N2CCC(CC#N)CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542039250 874833196 /nfs/dbraw/zinc/83/31/96/874833196.db2.gz PLSYFUPORSRJCH-HKUYNNGSSA-N 1 2 394.441 3.574 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)N2CCC(CC#N)CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542039250 874833207 /nfs/dbraw/zinc/83/32/07/874833207.db2.gz PLSYFUPORSRJCH-HKUYNNGSSA-N 1 2 394.441 3.574 20 30 GHEDLO CC(C)(C)OC(=O)N1CCN(c2ccc(NCc3csc(C#N)c3)[nH+]c2)CC1 ZINC001201178935 875545665 /nfs/dbraw/zinc/54/56/65/875545665.db2.gz GKXQGGFDGLNXGJ-UHFFFAOYSA-N 1 2 399.520 3.684 20 30 GHEDLO O=C(/C=C/c1c[nH+]c2ccccn12)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000176409264 876236545 /nfs/dbraw/zinc/23/65/45/876236545.db2.gz XXRXGULMEFDVJX-JLHYYAGUSA-N 1 2 380.469 3.947 20 30 GHEDLO C#CC[C@H](NC(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1)c1ccccc1 ZINC000858323172 883023671 /nfs/dbraw/zinc/02/36/71/883023671.db2.gz QFURAJACBOVTLH-QFIPXVFZSA-N 1 2 386.499 3.760 20 30 GHEDLO Cc1ccc(Br)cc1C[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000450618960 876692315 /nfs/dbraw/zinc/69/23/15/876692315.db2.gz VXONEWUWTPWLPG-MGPUTAFESA-N 1 2 396.288 3.603 20 30 GHEDLO Cc1ccc(Br)cc1C[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000450618960 876692320 /nfs/dbraw/zinc/69/23/20/876692320.db2.gz VXONEWUWTPWLPG-MGPUTAFESA-N 1 2 396.288 3.603 20 30 GHEDLO CCO[C@@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)C1 ZINC000610002152 877275456 /nfs/dbraw/zinc/27/54/56/877275456.db2.gz GLZJIENKQOZPKZ-LJQANCHMSA-N 1 2 398.482 3.544 20 30 GHEDLO CCO[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)C1 ZINC000610002152 877275470 /nfs/dbraw/zinc/27/54/70/877275470.db2.gz GLZJIENKQOZPKZ-LJQANCHMSA-N 1 2 398.482 3.544 20 30 GHEDLO N#CCOc1ccc(C[N@H+]2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)cc1 ZINC000852334306 878254143 /nfs/dbraw/zinc/25/41/43/878254143.db2.gz MBRPSXNGGNLDOJ-UHFFFAOYSA-N 1 2 375.350 3.606 20 30 GHEDLO N#CCOc1ccc(C[N@@H+]2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)cc1 ZINC000852334306 878254153 /nfs/dbraw/zinc/25/41/53/878254153.db2.gz MBRPSXNGGNLDOJ-UHFFFAOYSA-N 1 2 375.350 3.606 20 30 GHEDLO CCOC(=O)C[N@H+](CCC(=O)Nc1sccc1C#N)[C@@H](C)c1ccccc1 ZINC000180167320 878594567 /nfs/dbraw/zinc/59/45/67/878594567.db2.gz QIILTIWHFDWUIZ-HNNXBMFYSA-N 1 2 385.489 3.575 20 30 GHEDLO CCOC(=O)C[N@@H+](CCC(=O)Nc1sccc1C#N)[C@@H](C)c1ccccc1 ZINC000180167320 878594576 /nfs/dbraw/zinc/59/45/76/878594576.db2.gz QIILTIWHFDWUIZ-HNNXBMFYSA-N 1 2 385.489 3.575 20 30 GHEDLO CSc1nc(C2CC2)cc(C(=O)NCc2ccccc2-n2cc[nH+]c2)c1C#N ZINC000538070243 878797146 /nfs/dbraw/zinc/79/71/46/878797146.db2.gz GVMQMKOXCQDPLM-UHFFFAOYSA-N 1 2 389.484 3.668 20 30 GHEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cc(Cl)c(OCCC)c(OC)c2)n1 ZINC000789758267 879237391 /nfs/dbraw/zinc/23/73/91/879237391.db2.gz IRALGTMCBHKDLB-UHFFFAOYSA-N 1 2 375.900 3.989 20 30 GHEDLO C#CCn1ccc(C[N@H+](CC)Cc2cc(Cl)c(OCCC)c(OC)c2)n1 ZINC000789758267 879237405 /nfs/dbraw/zinc/23/74/05/879237405.db2.gz IRALGTMCBHKDLB-UHFFFAOYSA-N 1 2 375.900 3.989 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](c2noc(Cc3ccccc3CC#N)n2)O1 ZINC000854106891 879543323 /nfs/dbraw/zinc/54/33/23/879543323.db2.gz FAGPPOQWLJKCRV-DYESRHJHSA-N 1 2 388.471 3.688 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](c2noc(Cc3ccccc3CC#N)n2)O1 ZINC000854106891 879543333 /nfs/dbraw/zinc/54/33/33/879543333.db2.gz FAGPPOQWLJKCRV-DYESRHJHSA-N 1 2 388.471 3.688 20 30 GHEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774625075 912481992 /nfs/dbraw/zinc/48/19/92/912481992.db2.gz ALJXNWNOMAITDU-UHFFFAOYSA-N 1 2 399.838 3.576 20 30 GHEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774625075 912481996 /nfs/dbraw/zinc/48/19/96/912481996.db2.gz ALJXNWNOMAITDU-UHFFFAOYSA-N 1 2 399.838 3.576 20 30 GHEDLO N#Cc1cc(F)ccc1S(=O)(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000790424167 879704741 /nfs/dbraw/zinc/70/47/41/879704741.db2.gz OMZQAAPQAMHJJP-UHFFFAOYSA-N 1 2 397.431 3.665 20 30 GHEDLO C=CCn1c([C@H]2COc3ccccc3O2)nn(C[N@H+](CC)CC2CC2)c1=S ZINC000112200218 879766588 /nfs/dbraw/zinc/76/65/88/879766588.db2.gz PUVSRASCLVTNAS-GOSISDBHSA-N 1 2 386.521 3.802 20 30 GHEDLO C=CCn1c([C@H]2COc3ccccc3O2)nn(C[N@@H+](CC)CC2CC2)c1=S ZINC000112200218 879766605 /nfs/dbraw/zinc/76/66/05/879766605.db2.gz PUVSRASCLVTNAS-GOSISDBHSA-N 1 2 386.521 3.802 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(N(C)c3ccccc3)CC2)c(C#N)c1C ZINC000195190443 881198014 /nfs/dbraw/zinc/19/80/14/881198014.db2.gz SXVAARAWVQYQRD-INIZCTEOSA-N 1 2 380.492 3.696 20 30 GHEDLO N#CC[C@H](CC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)c1ccccc1 ZINC000476923471 883406873 /nfs/dbraw/zinc/40/68/73/883406873.db2.gz DWIWZXLXVJUFCP-GOSISDBHSA-N 1 2 381.907 3.902 20 30 GHEDLO N#CC[C@H](CC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)c1ccccc1 ZINC000476923471 883406885 /nfs/dbraw/zinc/40/68/85/883406885.db2.gz DWIWZXLXVJUFCP-GOSISDBHSA-N 1 2 381.907 3.902 20 30 GHEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)cc1Cl ZINC000593054864 883573089 /nfs/dbraw/zinc/57/30/89/883573089.db2.gz MMEXQKPDSJUFGO-UHFFFAOYSA-N 1 2 375.753 3.517 20 30 GHEDLO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000805241441 883685672 /nfs/dbraw/zinc/68/56/72/883685672.db2.gz NRDNSMODLWIQOD-BVYCBKJFSA-N 1 2 397.469 3.644 20 30 GHEDLO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000805241441 883685677 /nfs/dbraw/zinc/68/56/77/883685677.db2.gz NRDNSMODLWIQOD-BVYCBKJFSA-N 1 2 397.469 3.644 20 30 GHEDLO C=CCn1c(SCc2ccc(-n3cc[nH+]c3)cc2C)nnc1-c1cnccn1 ZINC000194555712 883854176 /nfs/dbraw/zinc/85/41/76/883854176.db2.gz OYAFEWMIDBWBNB-UHFFFAOYSA-N 1 2 389.488 3.708 20 30 GHEDLO CC1(C(=O)OCCCn2cc[nH+]c2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000805596037 883929870 /nfs/dbraw/zinc/92/98/70/883929870.db2.gz GCPYPNWRTIPNQA-UHFFFAOYSA-N 1 2 386.883 3.648 20 30 GHEDLO COC(=O)c1cc2cc(C[N@@H+]3CCO[C@H](c4cccc(C#N)c4)C3)ccc2o1 ZINC000761756725 884070505 /nfs/dbraw/zinc/07/05/05/884070505.db2.gz CXADJHVWKSYOHO-NRFANRHFSA-N 1 2 376.412 3.665 20 30 GHEDLO COC(=O)c1cc2cc(C[N@H+]3CCO[C@H](c4cccc(C#N)c4)C3)ccc2o1 ZINC000761756725 884070519 /nfs/dbraw/zinc/07/05/19/884070519.db2.gz CXADJHVWKSYOHO-NRFANRHFSA-N 1 2 376.412 3.665 20 30 GHEDLO COc1ccc(-c2csc(C(C#N)C(=O)C3CC[NH+](C4CC4)CC3)n2)cc1 ZINC000805864004 884157351 /nfs/dbraw/zinc/15/73/51/884157351.db2.gz DIHIXQCDFLNPAD-SFHVURJKSA-N 1 2 381.501 3.869 20 30 GHEDLO Cc1cc(-n2c(C)cc(C(=O)C[N@@H+]3CCc4c(CC#N)cccc4C3)c2C)no1 ZINC000860105852 884332879 /nfs/dbraw/zinc/33/28/79/884332879.db2.gz OFPRJDRZOLLFRR-UHFFFAOYSA-N 1 2 388.471 3.698 20 30 GHEDLO Cc1cc(-n2c(C)cc(C(=O)C[N@H+]3CCc4c(CC#N)cccc4C3)c2C)no1 ZINC000860105852 884332898 /nfs/dbraw/zinc/33/28/98/884332898.db2.gz OFPRJDRZOLLFRR-UHFFFAOYSA-N 1 2 388.471 3.698 20 30 GHEDLO C=CCOc1cccc(NC(=O)N2CC[NH+](Cc3ccccc3OC)CC2)c1 ZINC000102795402 884451075 /nfs/dbraw/zinc/45/10/75/884451075.db2.gz MBPGIHAZLUYJRL-UHFFFAOYSA-N 1 2 381.476 3.610 20 30 GHEDLO COc1c(C)c[nH+]c(CNC(=O)Nc2ccc(C#N)c(Br)c2)c1C ZINC000806621933 884877856 /nfs/dbraw/zinc/87/78/56/884877856.db2.gz VWGDKSYPNYFOPE-UHFFFAOYSA-N 1 2 389.253 3.663 20 30 GHEDLO C=C(C)Cn1c(COCC)nnc1N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000460371647 885048286 /nfs/dbraw/zinc/04/82/86/885048286.db2.gz PNRZUIUTYQXQCE-UHFFFAOYSA-N 1 2 398.555 3.529 20 30 GHEDLO C#CCOc1ccccc1-c1noc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000761988887 885140096 /nfs/dbraw/zinc/14/00/96/885140096.db2.gz AVVFBYXVLRKENR-UHFFFAOYSA-N 1 2 387.355 3.510 20 30 GHEDLO C#CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000807046074 885175780 /nfs/dbraw/zinc/17/57/80/885175780.db2.gz OMCLSGBBGQMQSP-NHCUHLMSSA-N 1 2 383.442 3.555 20 30 GHEDLO C#CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000807046074 885175790 /nfs/dbraw/zinc/17/57/90/885175790.db2.gz OMCLSGBBGQMQSP-NHCUHLMSSA-N 1 2 383.442 3.555 20 30 GHEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000537561890 885418826 /nfs/dbraw/zinc/41/88/26/885418826.db2.gz PDGXVPUJLCNKBJ-PKOBYXMFSA-N 1 2 387.572 3.845 20 30 GHEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000537561890 885418842 /nfs/dbraw/zinc/41/88/42/885418842.db2.gz PDGXVPUJLCNKBJ-PKOBYXMFSA-N 1 2 387.572 3.845 20 30 GHEDLO CSc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801078 885437998 /nfs/dbraw/zinc/43/79/98/885437998.db2.gz VMWZADQUGWCFOR-KRWDZBQOSA-N 1 2 394.544 3.819 20 30 GHEDLO CSc1ccccc1NC(=O)[C@H](C)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801078 885438007 /nfs/dbraw/zinc/43/80/07/885438007.db2.gz VMWZADQUGWCFOR-KRWDZBQOSA-N 1 2 394.544 3.819 20 30 GHEDLO N#Cc1cccc(OC2CC[NH+](CC(=O)N3CCSc4ccccc43)CC2)c1 ZINC000104714650 885577409 /nfs/dbraw/zinc/57/74/09/885577409.db2.gz RJVJWXNLOMMTFM-UHFFFAOYSA-N 1 2 393.512 3.540 20 30 GHEDLO C[C@@]1(C#N)CCCN(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000612358019 885983190 /nfs/dbraw/zinc/98/31/90/885983190.db2.gz JMDIGFSOGMJYTI-PXNSSMCTSA-N 1 2 392.906 3.951 20 30 GHEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000532570686 886138046 /nfs/dbraw/zinc/13/80/46/886138046.db2.gz BXBRMBTWHICOST-MAUKXSAKSA-N 1 2 379.435 3.619 20 30 GHEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000532570686 886138056 /nfs/dbraw/zinc/13/80/56/886138056.db2.gz BXBRMBTWHICOST-MAUKXSAKSA-N 1 2 379.435 3.619 20 30 GHEDLO C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000105022515 887310989 /nfs/dbraw/zinc/31/09/89/887310989.db2.gz DBMZLTZFTWUGFR-SJORKVTESA-N 1 2 394.475 3.581 20 30 GHEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2ccccc2I)s1 ZINC000794707111 887912437 /nfs/dbraw/zinc/91/24/37/887912437.db2.gz JXOLXPNRZXZJEN-BQYQJAHWSA-N 1 2 398.269 3.705 20 30 GHEDLO CC(N=Nc1c(F)cc(C(=O)NC2CC2)cc1F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000763187572 888132359 /nfs/dbraw/zinc/13/23/59/888132359.db2.gz DZZDJJWZXZJEIC-UHFFFAOYSA-N 1 2 395.413 3.879 20 30 GHEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)Nc3ccc(C#N)c(F)c3)CC2)cc1 ZINC000810254211 888355292 /nfs/dbraw/zinc/35/52/92/888355292.db2.gz KEVDNUGSVVEUQD-UHFFFAOYSA-N 1 2 381.455 3.554 20 30 GHEDLO N#Cc1ccc(N[NH+]=Cc2sc(N3CCOCC3)nc2-c2ccccc2)cc1 ZINC000915962258 888600587 /nfs/dbraw/zinc/60/05/87/888600587.db2.gz OVIVTLJTADUSSA-UHFFFAOYSA-N 1 2 389.484 3.964 20 30 GHEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)C[C@@](C)(c2ccc(F)cc2)C1=O ZINC000811733460 889931383 /nfs/dbraw/zinc/93/13/83/889931383.db2.gz PETKBTPELAMYID-QHCPKHFHSA-N 1 2 393.462 3.584 20 30 GHEDLO CCC[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)C[C@@](C)(c2ccc(F)cc2)C1=O ZINC000811733460 889931394 /nfs/dbraw/zinc/93/13/94/889931394.db2.gz PETKBTPELAMYID-QHCPKHFHSA-N 1 2 393.462 3.584 20 30 GHEDLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000125900703 890241728 /nfs/dbraw/zinc/24/17/28/890241728.db2.gz MDXCMEZOKLQSJF-QGZVFWFLSA-N 1 2 386.517 3.966 20 30 GHEDLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000125900703 890241744 /nfs/dbraw/zinc/24/17/44/890241744.db2.gz MDXCMEZOKLQSJF-QGZVFWFLSA-N 1 2 386.517 3.966 20 30 GHEDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000125900482 890242428 /nfs/dbraw/zinc/24/24/28/890242428.db2.gz MDXCMEZOKLQSJF-KRWDZBQOSA-N 1 2 386.517 3.966 20 30 GHEDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000125900482 890242443 /nfs/dbraw/zinc/24/24/43/890242443.db2.gz MDXCMEZOKLQSJF-KRWDZBQOSA-N 1 2 386.517 3.966 20 30 GHEDLO Cc1cc(C)c(CNC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c[nH+]1 ZINC000455232696 890567726 /nfs/dbraw/zinc/56/77/26/890567726.db2.gz FEBPQBRPWOWWJW-UHFFFAOYSA-N 1 2 391.475 3.603 20 30 GHEDLO CCOc1ccccc1C1N=NC(=S)N1N=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000917029640 890776346 /nfs/dbraw/zinc/77/63/46/890776346.db2.gz IUSGSYRHJGTNRY-UHFFFAOYSA-N 1 2 390.472 3.700 20 30 GHEDLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)Nc2cc(CC#N)ccn2)CC1 ZINC000871739498 890997541 /nfs/dbraw/zinc/99/75/41/890997541.db2.gz HPFHDGPCSSNCBT-IBGZPJMESA-N 1 2 381.455 3.588 20 30 GHEDLO O=[N+]([O-])c1ccc(CO[NH+]=Cc2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(F)c1 ZINC000747826207 891103553 /nfs/dbraw/zinc/10/35/53/891103553.db2.gz GNXVXEKAUUOBDM-UHFFFAOYSA-N 1 2 388.355 3.793 20 30 GHEDLO C#C[C@H](NC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)c1ccc(F)cc1 ZINC000812936927 891147810 /nfs/dbraw/zinc/14/78/10/891147810.db2.gz WRXLNBGGVCKDLC-QFIPXVFZSA-N 1 2 394.494 3.534 20 30 GHEDLO [NH3+][C@@H](c1nc(COCC(F)(F)C(F)F)no1)c1ccc(C(F)(F)F)cc1 ZINC000872180599 891204644 /nfs/dbraw/zinc/20/46/44/891204644.db2.gz RXQCPSYZYAEXQY-SNVBAGLBSA-N 1 2 387.255 3.554 20 30 GHEDLO Cc1ccc(-c2noc([C@H](C)N3CC[NH+](Cc4cccc(C#N)c4)CC3)n2)cc1 ZINC000106052472 891241542 /nfs/dbraw/zinc/24/15/42/891241542.db2.gz XLVOYBPSBYMOBP-SFHVURJKSA-N 1 2 387.487 3.796 20 30 GHEDLO C[C@H](O[NH+]=C(N)Cc1ccc(Cl)cc1)C(=O)Nc1ccccc1OC(F)F ZINC000106067283 891245649 /nfs/dbraw/zinc/24/56/49/891245649.db2.gz XFGPNSWHSSCVLX-NSHDSACASA-N 1 2 397.809 3.800 20 30 GHEDLO COc1ccc(C)cc1NC(=O)[C@H](C)O[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000106067264 891245919 /nfs/dbraw/zinc/24/59/19/891245919.db2.gz LWHWGDOUVLZOAA-ZDUSSCGKSA-N 1 2 375.856 3.516 20 30 GHEDLO C#CC[N@@H+](CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000917119620 891303677 /nfs/dbraw/zinc/30/36/77/891303677.db2.gz PFARXXPHEDOLGQ-HXUWFJFHSA-N 1 2 393.443 3.555 20 30 GHEDLO C#CC[N@H+](CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000917119620 891303693 /nfs/dbraw/zinc/30/36/93/891303693.db2.gz PFARXXPHEDOLGQ-HXUWFJFHSA-N 1 2 393.443 3.555 20 30 GHEDLO N#Cc1cc(I)ccc1Nc1ccc[nH+]c1N1CCCC1 ZINC001184964267 913551089 /nfs/dbraw/zinc/55/10/89/913551089.db2.gz KIQHQJXYWXGIGD-UHFFFAOYSA-N 1 2 390.228 3.902 20 30 GHEDLO CO[C@]1(C(F)(F)F)CCC[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1 ZINC000614925013 891603686 /nfs/dbraw/zinc/60/36/86/891603686.db2.gz RGWHOVMSLQWYMI-LJQANCHMSA-N 1 2 397.441 3.593 20 30 GHEDLO CO[C@]1(C(F)(F)F)CCC[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1 ZINC000614925013 891603695 /nfs/dbraw/zinc/60/36/95/891603695.db2.gz RGWHOVMSLQWYMI-LJQANCHMSA-N 1 2 397.441 3.593 20 30 GHEDLO C[N@@H+]1CCO[C@@H]([C@@H](Nc2c(C#N)nnc3ccccc32)c2ccc(Cl)cc2)C1 ZINC000497521754 891816009 /nfs/dbraw/zinc/81/60/09/891816009.db2.gz HJRCYPPZTOTJCR-UXHICEINSA-N 1 2 393.878 3.639 20 30 GHEDLO C[N@H+]1CCO[C@@H]([C@@H](Nc2c(C#N)nnc3ccccc32)c2ccc(Cl)cc2)C1 ZINC000497521754 891816016 /nfs/dbraw/zinc/81/60/16/891816016.db2.gz HJRCYPPZTOTJCR-UXHICEINSA-N 1 2 393.878 3.639 20 30 GHEDLO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)ccc1OC ZINC000813859030 892029670 /nfs/dbraw/zinc/02/96/70/892029670.db2.gz FIEVFGZARZQEFM-PXNSSMCTSA-N 1 2 383.496 3.905 20 30 GHEDLO CC1(C)CCc2sc(NC(=O)[C@H]3C[N@H+](Cc4ccccc4)CCO3)c(C#N)c21 ZINC001134162525 892393650 /nfs/dbraw/zinc/39/36/50/892393650.db2.gz FKHVPUNPIFUKJD-QGZVFWFLSA-N 1 2 395.528 3.683 20 30 GHEDLO CC1(C)CCc2sc(NC(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCO3)c(C#N)c21 ZINC001134162525 892393666 /nfs/dbraw/zinc/39/36/66/892393666.db2.gz FKHVPUNPIFUKJD-QGZVFWFLSA-N 1 2 395.528 3.683 20 30 GHEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)CC1 ZINC000455706822 893062543 /nfs/dbraw/zinc/06/25/43/893062543.db2.gz QTZHYKSKQLITSI-HNNXBMFYSA-N 1 2 383.883 3.712 20 30 GHEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)C1=O ZINC000563233166 893506185 /nfs/dbraw/zinc/50/61/85/893506185.db2.gz OKMZYNYNPUAGSM-MOPGFXCFSA-N 1 2 393.512 3.579 20 30 GHEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)C1=O ZINC000563233166 893506210 /nfs/dbraw/zinc/50/62/10/893506210.db2.gz OKMZYNYNPUAGSM-MOPGFXCFSA-N 1 2 393.512 3.579 20 30 GHEDLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000815478736 893878360 /nfs/dbraw/zinc/87/83/60/893878360.db2.gz HDQVYPDMTCQPKJ-UHFFFAOYSA-N 1 2 386.333 3.823 20 30 GHEDLO C=C(C)COCCNC(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536930549 894106615 /nfs/dbraw/zinc/10/66/15/894106615.db2.gz YDEJRFCHWOEMAW-QZTJIDSGSA-N 1 2 383.895 3.506 20 30 GHEDLO C=C(C)COCCNC(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536930549 894106620 /nfs/dbraw/zinc/10/66/20/894106620.db2.gz YDEJRFCHWOEMAW-QZTJIDSGSA-N 1 2 383.895 3.506 20 30 GHEDLO C=CCNC(=O)c1cccc(-c2noc(-c3cc(C)ccc3-n3cc[nH+]c3)n2)c1 ZINC000563774230 894172173 /nfs/dbraw/zinc/17/21/73/894172173.db2.gz NKNKTXGAVYSNGL-UHFFFAOYSA-N 1 2 385.427 3.814 20 30 GHEDLO C[C@@H](C#N)CN(Cc1cc(C#N)cc(C[N@H+](C[C@H](C)C#N)C2CC2)c1)C1CC1 ZINC000878298996 894175407 /nfs/dbraw/zinc/17/54/07/894175407.db2.gz MHLKSGPTSMLNQM-HDICACEKSA-N 1 2 375.520 3.806 20 30 GHEDLO C[C@@H](C#N)CN(Cc1cc(C#N)cc(C[N@@H+](C[C@H](C)C#N)C2CC2)c1)C1CC1 ZINC000878298996 894175416 /nfs/dbraw/zinc/17/54/16/894175416.db2.gz MHLKSGPTSMLNQM-HDICACEKSA-N 1 2 375.520 3.806 20 30 GHEDLO C[C@@H](C#N)C[N@@H+](Cc1cc(C#N)cc(CN(C[C@H](C)C#N)C2CC2)c1)C1CC1 ZINC000878298996 894175421 /nfs/dbraw/zinc/17/54/21/894175421.db2.gz MHLKSGPTSMLNQM-HDICACEKSA-N 1 2 375.520 3.806 20 30 GHEDLO C[C@@H](C#N)C[N@H+](Cc1cc(C#N)cc(CN(C[C@H](C)C#N)C2CC2)c1)C1CC1 ZINC000878298996 894175430 /nfs/dbraw/zinc/17/54/30/894175430.db2.gz MHLKSGPTSMLNQM-HDICACEKSA-N 1 2 375.520 3.806 20 30 GHEDLO C[C@@H](CCc1ccc(F)cc1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001135335444 894405836 /nfs/dbraw/zinc/40/58/36/894405836.db2.gz BZBYQDVUHRQBKG-SFHVURJKSA-N 1 2 379.479 3.610 20 30 GHEDLO C=CCOC[C@H]1C[N@@H+](Cc2ccccc2OC(C)C)Cc2nnn(CC3CC3)c21 ZINC001137136629 894567156 /nfs/dbraw/zinc/56/71/56/894567156.db2.gz XHZILCRKMVYOMC-HXUWFJFHSA-N 1 2 396.535 3.777 20 30 GHEDLO C=CCOC[C@H]1C[N@H+](Cc2ccccc2OC(C)C)Cc2nnn(CC3CC3)c21 ZINC001137136629 894567168 /nfs/dbraw/zinc/56/71/68/894567168.db2.gz XHZILCRKMVYOMC-HXUWFJFHSA-N 1 2 396.535 3.777 20 30 GHEDLO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000816602970 894966911 /nfs/dbraw/zinc/96/69/11/894966911.db2.gz UHMDQQFMOKVWOX-QAQDUYKDSA-N 1 2 389.459 3.799 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000880319246 895634911 /nfs/dbraw/zinc/63/49/11/895634911.db2.gz DIZJBGRGGRFWEW-GJZGRUSLSA-N 1 2 386.546 3.823 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@H](c2nccs2)C1 ZINC000880319246 895634913 /nfs/dbraw/zinc/63/49/13/895634913.db2.gz DIZJBGRGGRFWEW-GJZGRUSLSA-N 1 2 386.546 3.823 20 30 GHEDLO Cc1nc(C#N)cc(Sc2nnc([C@@H](C)[NH+](C)C)n2-c2ccc(Cl)cc2)n1 ZINC000881780489 896515975 /nfs/dbraw/zinc/51/59/75/896515975.db2.gz MSHDBENKFSZPKB-LLVKDONJSA-N 1 2 399.911 3.665 20 30 GHEDLO CC[N@H+](CCc1ccc(C(F)(F)F)cc1)Cn1nc(CC#N)n(C)c1=S ZINC000819901322 897041842 /nfs/dbraw/zinc/04/18/42/897041842.db2.gz ZECOTXBWAOFBNI-UHFFFAOYSA-N 1 2 383.443 3.558 20 30 GHEDLO CC[N@@H+](CCc1ccc(C(F)(F)F)cc1)Cn1nc(CC#N)n(C)c1=S ZINC000819901322 897041854 /nfs/dbraw/zinc/04/18/54/897041854.db2.gz ZECOTXBWAOFBNI-UHFFFAOYSA-N 1 2 383.443 3.558 20 30 GHEDLO N#Cc1ccc(F)c(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000820022485 897091098 /nfs/dbraw/zinc/09/10/98/897091098.db2.gz DEINTZRUGZKTMI-UHFFFAOYSA-N 1 2 391.368 3.674 20 30 GHEDLO NC(=[NH+]OCc1ccc(CO)cc1)c1ccc(COc2ccccc2F)cc1 ZINC000778593185 897216236 /nfs/dbraw/zinc/21/62/36/897216236.db2.gz XHXUOJGMCHLPRP-UHFFFAOYSA-N 1 2 380.419 3.734 20 30 GHEDLO N#Cc1ccccc1OC1CCC(NC(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000568144512 897634788 /nfs/dbraw/zinc/63/47/88/897634788.db2.gz OCYRMTZAWQGZSS-UHFFFAOYSA-N 1 2 375.432 3.718 20 30 GHEDLO Cc1nsc(N2CC[NH+](Cc3cccc(C(=O)OC(C)(C)C)c3)CC2)c1C#N ZINC000568920238 898212234 /nfs/dbraw/zinc/21/22/34/898212234.db2.gz XFOUWCNUKKFTDD-UHFFFAOYSA-N 1 2 398.532 3.601 20 30 GHEDLO C=CCOc1ccc(-c2nn(C[N@H+]3CCC[C@H]3C[C@@H](C)O)c(=S)o2)cc1 ZINC000155375349 898701115 /nfs/dbraw/zinc/70/11/15/898701115.db2.gz VLJDNTICBJOPIN-ZBFHGGJFSA-N 1 2 375.494 3.630 20 30 GHEDLO C=CCOc1ccc(-c2nn(C[N@@H+]3CCC[C@H]3C[C@@H](C)O)c(=S)o2)cc1 ZINC000155375349 898701120 /nfs/dbraw/zinc/70/11/20/898701120.db2.gz VLJDNTICBJOPIN-ZBFHGGJFSA-N 1 2 375.494 3.630 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+]2CCC[C@@H]2C[C@H](C)O)c1=S ZINC000155460268 898804183 /nfs/dbraw/zinc/80/41/83/898804183.db2.gz JXPMCYPNZRYVNF-WMLDXEAASA-N 1 2 376.501 3.599 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)c1=S ZINC000155460268 898804194 /nfs/dbraw/zinc/80/41/94/898804194.db2.gz JXPMCYPNZRYVNF-WMLDXEAASA-N 1 2 376.501 3.599 20 30 GHEDLO N#Cc1cc(F)cc(C2(C(=O)N3CCC(c4[nH+]cc5n4CCCC5)CC3)CC2)c1 ZINC000569995135 899059921 /nfs/dbraw/zinc/05/99/21/899059921.db2.gz HLODBQRNGJGVSC-UHFFFAOYSA-N 1 2 392.478 3.668 20 30 GHEDLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C#N)cc1 ZINC000155833120 899123270 /nfs/dbraw/zinc/12/32/70/899123270.db2.gz KIVNUVOFKMDGLP-HTAPYJJXSA-N 1 2 376.504 3.634 20 30 GHEDLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C#N)cc1 ZINC000155833120 899123274 /nfs/dbraw/zinc/12/32/74/899123274.db2.gz KIVNUVOFKMDGLP-HTAPYJJXSA-N 1 2 376.504 3.634 20 30 GHEDLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C#N)cc1 ZINC000155832893 899123876 /nfs/dbraw/zinc/12/38/76/899123876.db2.gz KIVNUVOFKMDGLP-JTSKRJEESA-N 1 2 376.504 3.634 20 30 GHEDLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C#N)cc1 ZINC000155832893 899123884 /nfs/dbraw/zinc/12/38/84/899123884.db2.gz KIVNUVOFKMDGLP-JTSKRJEESA-N 1 2 376.504 3.634 20 30 GHEDLO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ncn(Cc2cccc(F)c2)n1 ZINC000571468875 899877851 /nfs/dbraw/zinc/87/78/51/899877851.db2.gz XCBSHTIJJTYMHV-OAQYLSRUSA-N 1 2 375.451 3.894 20 30 GHEDLO Cc1nc(C[NH+]2CCC(C(=O)O[C@@H](C)COc3cccc(C#N)c3)CC2)cs1 ZINC000805882178 899901156 /nfs/dbraw/zinc/90/11/56/899901156.db2.gz TUTSEMAOAOCKFW-HNNXBMFYSA-N 1 2 399.516 3.546 20 30 GHEDLO CC[C@@H](C)[N@@H+](Cc1ccc(C#N)cc1OC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000121424839 900024142 /nfs/dbraw/zinc/02/41/42/900024142.db2.gz HZESCRXZJQVBHU-OAHLLOKOSA-N 1 2 376.460 3.604 20 30 GHEDLO CC[C@@H](C)[N@H+](Cc1ccc(C#N)cc1OC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000121424839 900024151 /nfs/dbraw/zinc/02/41/51/900024151.db2.gz HZESCRXZJQVBHU-OAHLLOKOSA-N 1 2 376.460 3.604 20 30 GHEDLO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)CCO1 ZINC000135289618 900216893 /nfs/dbraw/zinc/21/68/93/900216893.db2.gz XCXULZCLZRTWFD-VQIMIIECSA-N 1 2 387.524 3.602 20 30 GHEDLO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CCO1 ZINC000135289618 900216905 /nfs/dbraw/zinc/21/69/05/900216905.db2.gz XCXULZCLZRTWFD-VQIMIIECSA-N 1 2 387.524 3.602 20 30 GHEDLO CN(CCC#N)c1ccc(C[N@@H+]2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)cc1 ZINC000289932353 914434147 /nfs/dbraw/zinc/43/41/47/914434147.db2.gz WMSCIIKOPWFMIP-VQTJNVASSA-N 1 2 395.507 3.998 20 30 GHEDLO CN(CCC#N)c1ccc(C[N@H+]2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)cc1 ZINC000289932353 914434157 /nfs/dbraw/zinc/43/41/57/914434157.db2.gz WMSCIIKOPWFMIP-VQTJNVASSA-N 1 2 395.507 3.998 20 30 GHEDLO COc1ccc(OC)c(C[NH+]2CCN(Cc3c(Cl)cccc3C#N)CC2)c1 ZINC001143722662 900440669 /nfs/dbraw/zinc/44/06/69/900440669.db2.gz FCSBIHBUEMNYHM-UHFFFAOYSA-N 1 2 385.895 3.547 20 30 GHEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CC[C@H]2O[C@H](COCc3cccnc3)CC[C@H]21 ZINC001143725260 900445664 /nfs/dbraw/zinc/44/56/64/900445664.db2.gz XCMDQHNZESAGLC-VLCRHTCISA-N 1 2 397.906 3.945 20 30 GHEDLO N#Cc1cccc(Cl)c1C[N@H+]1CC[C@H]2O[C@H](COCc3cccnc3)CC[C@H]21 ZINC001143725260 900445668 /nfs/dbraw/zinc/44/56/68/900445668.db2.gz XCMDQHNZESAGLC-VLCRHTCISA-N 1 2 397.906 3.945 20 30 GHEDLO CCOc1c(Cl)ccc(C[N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)c1F ZINC001143831237 900593316 /nfs/dbraw/zinc/59/33/16/900593316.db2.gz JAUTWRFCGMEMGQ-UHFFFAOYSA-N 1 2 388.874 3.857 20 30 GHEDLO CCOc1c(Cl)ccc(C[N@H+]2CCCN(c3ccc(C#N)cn3)CC2)c1F ZINC001143831237 900593324 /nfs/dbraw/zinc/59/33/24/900593324.db2.gz JAUTWRFCGMEMGQ-UHFFFAOYSA-N 1 2 388.874 3.857 20 30 GHEDLO C[C@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)c1cccc(C#N)c1O ZINC000886782632 901273398 /nfs/dbraw/zinc/27/33/98/901273398.db2.gz YLJURSHWDDKORO-ZFWWWQNUSA-N 1 2 395.450 3.807 20 30 GHEDLO C[C@@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)c1cccc(C#N)c1O ZINC000886782630 901273456 /nfs/dbraw/zinc/27/34/56/901273456.db2.gz YLJURSHWDDKORO-HIFRSBDPSA-N 1 2 395.450 3.807 20 30 GHEDLO N#CC1(C[C@H](O)CNc2ccc3c(c2)[nH+]cn3-c2ccccc2)CCOCC1 ZINC000600742497 902862908 /nfs/dbraw/zinc/86/29/08/902862908.db2.gz MBVMUXSMGVIMNY-IBGZPJMESA-N 1 2 376.460 3.509 20 30 GHEDLO CC(C)C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1ccc(C#N)n1C ZINC001274143012 903445773 /nfs/dbraw/zinc/44/57/73/903445773.db2.gz ATMDLWGZZQAMRK-HXUWFJFHSA-N 1 2 398.938 3.923 20 30 GHEDLO CC(C)C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1ccc(C#N)n1C ZINC001274143012 903445775 /nfs/dbraw/zinc/44/57/75/903445775.db2.gz ATMDLWGZZQAMRK-HXUWFJFHSA-N 1 2 398.938 3.923 20 30 GHEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000151383514 904119562 /nfs/dbraw/zinc/11/95/62/904119562.db2.gz YUOZMHIZBMPKTK-NQIIRXRSSA-N 1 2 377.492 3.515 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCCc3ccccc3Cl)CC2)cc1 ZINC000578820663 904149697 /nfs/dbraw/zinc/14/96/97/904149697.db2.gz HTPAONFCJFHLMV-UHFFFAOYSA-N 1 2 381.907 3.879 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+]2C[C@H](c3ccccc3)C[C@@H]2C)c1=S ZINC000159865734 904247342 /nfs/dbraw/zinc/24/73/42/904247342.db2.gz SNNSIISOBFBWJL-FUHWJXTLSA-N 1 2 392.532 3.893 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+]2C[C@H](c3ccccc3)C[C@@H]2C)c1=S ZINC000159865734 904247355 /nfs/dbraw/zinc/24/73/55/904247355.db2.gz SNNSIISOBFBWJL-FUHWJXTLSA-N 1 2 392.532 3.893 20 30 GHEDLO CC[C@@H](C)c1ccccc1OCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000036714338 904512857 /nfs/dbraw/zinc/51/28/57/904512857.db2.gz NUAFLQUJDGDPCU-LJQANCHMSA-N 1 2 391.515 3.795 20 30 GHEDLO N#Cc1cccc(C2(NC(=O)N[C@H]3CC[C@H](Nc4cccc[nH+]4)CC3)CC2)c1 ZINC000889547631 904635492 /nfs/dbraw/zinc/63/54/92/904635492.db2.gz VLJCHAVQBXYKKE-WGSAOQKQSA-N 1 2 375.476 3.665 20 30 GHEDLO CCC(=O)c1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000626737454 905247914 /nfs/dbraw/zinc/24/79/14/905247914.db2.gz IGNACLIJWUKHPZ-UHFFFAOYSA-N 1 2 376.460 3.501 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000174582752 905302618 /nfs/dbraw/zinc/30/26/18/905302618.db2.gz VVNLQDOSBJQQGE-OAHLLOKOSA-N 1 2 386.883 3.511 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000174582752 905302639 /nfs/dbraw/zinc/30/26/39/905302639.db2.gz VVNLQDOSBJQQGE-OAHLLOKOSA-N 1 2 386.883 3.511 20 30 GHEDLO C[C@H]1C[N@H+]([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)[C@@H](c2ccccc2)CO1 ZINC001172992843 906103062 /nfs/dbraw/zinc/10/30/62/906103062.db2.gz GGQFIJGAIIIUSU-FRYIKTPZSA-N 1 2 385.508 3.740 20 30 GHEDLO C[C@H]1C[N@@H+]([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)[C@@H](c2ccccc2)CO1 ZINC001172992843 906103073 /nfs/dbraw/zinc/10/30/73/906103073.db2.gz GGQFIJGAIIIUSU-FRYIKTPZSA-N 1 2 385.508 3.740 20 30 GHEDLO Cc1ccc([C@@]2(C)C[N@@H+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)CCO2)cc1 ZINC001172992334 906103355 /nfs/dbraw/zinc/10/33/55/906103355.db2.gz WBXBWQOAMLHAMS-SXWKCWPCSA-N 1 2 399.535 3.834 20 30 GHEDLO Cc1ccc([C@@]2(C)C[N@H+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)CCO2)cc1 ZINC001172992334 906103361 /nfs/dbraw/zinc/10/33/61/906103361.db2.gz WBXBWQOAMLHAMS-SXWKCWPCSA-N 1 2 399.535 3.834 20 30 GHEDLO COC(=O)c1ccc(C[C@H](C)[NH2+]CC(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC001173709085 906659543 /nfs/dbraw/zinc/65/95/43/906659543.db2.gz LFARBTABLDMGLV-VIFPVBQESA-N 1 2 375.284 3.827 20 30 GHEDLO N#Cc1sc(-c2ccc(F)cc2)cc1Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001174489963 907048204 /nfs/dbraw/zinc/04/82/04/907048204.db2.gz RXQVXXQUSYPQJE-UHFFFAOYSA-N 1 2 397.479 3.698 20 30 GHEDLO C[C@@H]1CN(Cc2ccccc2)C[C@@]2(CC[N@H+](Cc3cccc(C#N)c3F)C2)O1 ZINC001175686494 907693399 /nfs/dbraw/zinc/69/33/99/907693399.db2.gz FSDSQVNNNZJILZ-JPYJTQIMSA-N 1 2 379.479 3.563 20 30 GHEDLO C[C@@H]1CN(Cc2ccccc2)C[C@@]2(CC[N@@H+](Cc3cccc(C#N)c3F)C2)O1 ZINC001175686494 907693407 /nfs/dbraw/zinc/69/34/07/907693407.db2.gz FSDSQVNNNZJILZ-JPYJTQIMSA-N 1 2 379.479 3.563 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@H](C(F)(F)F)O[C@H](C)C2)cc1 ZINC001175873112 907810423 /nfs/dbraw/zinc/81/04/23/907810423.db2.gz MPGRTYMZSAMFRB-RYRKJORJSA-N 1 2 397.441 3.672 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@@H](C(F)(F)F)O[C@H](C)C2)cc1 ZINC001175873112 907810439 /nfs/dbraw/zinc/81/04/39/907810439.db2.gz MPGRTYMZSAMFRB-RYRKJORJSA-N 1 2 397.441 3.672 20 30 GHEDLO C#CC[N@@H+](Cc1nc(C)c2ccccc2n1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001176129801 907952157 /nfs/dbraw/zinc/95/21/57/907952157.db2.gz LOOOVOZOWZEZTM-UHFFFAOYSA-N 1 2 394.519 3.773 20 30 GHEDLO C#CC[N@H+](Cc1nc(C)c2ccccc2n1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001176129801 907952162 /nfs/dbraw/zinc/95/21/62/907952162.db2.gz LOOOVOZOWZEZTM-UHFFFAOYSA-N 1 2 394.519 3.773 20 30 GHEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC=C(c4ccc(Cl)nc4)CC3)C2=O)cc1 ZINC000773665220 908560704 /nfs/dbraw/zinc/56/07/04/908560704.db2.gz VWBVDHYMTKPVHZ-LJQANCHMSA-N 1 2 378.863 3.501 20 30 GHEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CC=C(c4ccc(Cl)nc4)CC3)C2=O)cc1 ZINC000773665220 908560708 /nfs/dbraw/zinc/56/07/08/908560708.db2.gz VWBVDHYMTKPVHZ-LJQANCHMSA-N 1 2 378.863 3.501 20 30 GHEDLO N#Cc1ccccc1N1CCC(C(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC001180506300 910216761 /nfs/dbraw/zinc/21/67/61/910216761.db2.gz ANYWXCHQNHCLIE-UHFFFAOYSA-N 1 2 385.471 3.658 20 30 GHEDLO C=C(C)COc1cc(C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2ccccc2)ccc1OC ZINC000246838910 910699135 /nfs/dbraw/zinc/69/91/35/910699135.db2.gz RVPPVNYMKVQOFW-FCHUYYIVSA-N 1 2 397.515 3.975 20 30 GHEDLO C=C(C)COc1cc(C[N@H+]2CCOC[C@@H]2C[C@@H](O)c2ccccc2)ccc1OC ZINC000246838910 910699142 /nfs/dbraw/zinc/69/91/42/910699142.db2.gz RVPPVNYMKVQOFW-FCHUYYIVSA-N 1 2 397.515 3.975 20 30 GHEDLO N#CCCn1ccc(NC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)n1 ZINC000291603532 915274457 /nfs/dbraw/zinc/27/44/57/915274457.db2.gz ZYRQPGQUCLBNPS-UHFFFAOYSA-N 1 2 375.436 3.641 20 30 GHEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(Br)ccc1F ZINC001275713558 916287887 /nfs/dbraw/zinc/28/78/87/916287887.db2.gz CFQFMVOGHGXPMI-GOSISDBHSA-N 1 2 381.289 3.731 20 30 GHEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Br)ccc1F ZINC001275713558 916287899 /nfs/dbraw/zinc/28/78/99/916287899.db2.gz CFQFMVOGHGXPMI-GOSISDBHSA-N 1 2 381.289 3.731 20 30 GHEDLO N#Cc1cc(OCc2cccc(C[NH+]3CCOCC3)c2)ccc1Br ZINC001190236139 917228917 /nfs/dbraw/zinc/22/89/17/917228917.db2.gz RIPZBMMYBQSMLM-UHFFFAOYSA-N 1 2 387.277 3.732 20 30 GHEDLO C#CC[C@@H]([NH2+]Cc1csc(CNC(=O)c2ccccc2)n1)c1ccccc1 ZINC000775398861 917439002 /nfs/dbraw/zinc/43/90/02/917439002.db2.gz CPXGMVHZHRLPMH-HXUWFJFHSA-N 1 2 375.497 3.927 20 30 GHEDLO Cc1cc(C#N)cc(C)c1C[NH+]1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC001190651078 917481750 /nfs/dbraw/zinc/48/17/50/917481750.db2.gz GZYWZQBCOAPXHW-UHFFFAOYSA-N 1 2 385.870 3.926 20 30 GHEDLO C=CCCn1cc(C[N@H+](CC)CCOc2ccc(Br)cc2)nn1 ZINC000653559867 918306974 /nfs/dbraw/zinc/30/69/74/918306974.db2.gz YMSOAXUNZDBLJB-UHFFFAOYSA-N 1 2 379.302 3.518 20 30 GHEDLO C=CCCn1cc(C[N@@H+](CC)CCOc2ccc(Br)cc2)nn1 ZINC000653559867 918306986 /nfs/dbraw/zinc/30/69/86/918306986.db2.gz YMSOAXUNZDBLJB-UHFFFAOYSA-N 1 2 379.302 3.518 20 30 GHEDLO C#CCOc1ccc(NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000800538138 920254073 /nfs/dbraw/zinc/25/40/73/920254073.db2.gz KLVSEMDQDBHTAO-QGZVFWFLSA-N 1 2 378.476 3.643 20 30 GHEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000900905383 920702452 /nfs/dbraw/zinc/70/24/52/920702452.db2.gz SICFQIADGUBVOA-GOTSBHOMSA-N 1 2 399.498 3.907 20 30 GHEDLO CCC[C@H](NC(=O)[C@H](C)[NH+]1CCC(C#N)(c2ccccn2)CC1)c1ccccc1 ZINC000369205063 923203674 /nfs/dbraw/zinc/20/36/74/923203674.db2.gz IHMIBGGYPAGDPP-FPOVZHCZSA-N 1 2 390.531 3.985 20 30 GHEDLO Cc1cccc(NC[C@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2SCC#N)n1 ZINC000369901823 923728154 /nfs/dbraw/zinc/72/81/54/923728154.db2.gz YRQQIICNFNTCLL-QGZVFWFLSA-N 1 2 395.532 3.521 20 30 GHEDLO Cc1cccc(NC[C@H]2CCC[N@H+]2CC(=O)Nc2ccccc2SCC#N)n1 ZINC000369901823 923728164 /nfs/dbraw/zinc/72/81/64/923728164.db2.gz YRQQIICNFNTCLL-QGZVFWFLSA-N 1 2 395.532 3.521 20 30 GHEDLO Cc1cccc2[nH+]cc(/C=C/C(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)n21 ZINC000748997264 923978819 /nfs/dbraw/zinc/97/88/19/923978819.db2.gz ICFNAXWCJWSLCE-BQYQJAHWSA-N 1 2 380.360 3.972 20 30 GHEDLO N#Cc1cccc(CNC(=O)C[NH2+][C@@H](c2cccc(Cl)c2)c2ccccn2)c1 ZINC000370865373 924333678 /nfs/dbraw/zinc/33/36/78/924333678.db2.gz RLSLVSHSWAQAGS-QFIPXVFZSA-N 1 2 390.874 3.602 20 30 GHEDLO N#CCCCN1C(=O)[C@]2(CC[N@@H+](Cc3csc(Cl)n3)C2)c2ccccc21 ZINC001276038882 924648566 /nfs/dbraw/zinc/64/85/66/924648566.db2.gz KCEOBJMGLLASDO-IBGZPJMESA-N 1 2 386.908 3.591 20 30 GHEDLO N#CCCCN1C(=O)[C@]2(CC[N@H+](Cc3csc(Cl)n3)C2)c2ccccc21 ZINC001276038882 924648568 /nfs/dbraw/zinc/64/85/68/924648568.db2.gz KCEOBJMGLLASDO-IBGZPJMESA-N 1 2 386.908 3.591 20 30 GHEDLO CC(C)c1ncc(C[NH+]2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)s1 ZINC000827126305 924875582 /nfs/dbraw/zinc/87/55/82/924875582.db2.gz YZSURPNRTHLRHL-UHFFFAOYSA-N 1 2 392.532 3.850 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2cc(OC)ccc2Br)C1=O ZINC001276059725 925033063 /nfs/dbraw/zinc/03/30/63/925033063.db2.gz NMPNMXPCWVDXBW-IBGZPJMESA-N 1 2 393.325 3.601 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2cc(OC)ccc2Br)C1=O ZINC001276059725 925033074 /nfs/dbraw/zinc/03/30/74/925033074.db2.gz NMPNMXPCWVDXBW-IBGZPJMESA-N 1 2 393.325 3.601 20 30 GHEDLO C#C[C@H](NC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000827227940 925056272 /nfs/dbraw/zinc/05/62/72/925056272.db2.gz NGAINJRBAFPYNZ-NRFANRHFSA-N 1 2 376.504 3.704 20 30 GHEDLO C[C@@H](CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)C(=O)c1ccccc1 ZINC000679244487 925075364 /nfs/dbraw/zinc/07/53/64/925075364.db2.gz VTXHVYINLYBUEM-IBGZPJMESA-N 1 2 389.499 3.570 20 30 GHEDLO C#C[C@@H]([NH2+]Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1)C1CCOCC1 ZINC000827570328 925823416 /nfs/dbraw/zinc/82/34/16/925823416.db2.gz LVSMYYQXHVQXFR-HXUWFJFHSA-N 1 2 383.517 3.654 20 30 GHEDLO CC[C@@H](C#N)Oc1cc(CNc2nc(NC)c3ccccc3[nH+]2)ccc1OC ZINC000827623595 925843683 /nfs/dbraw/zinc/84/36/83/925843683.db2.gz LZFJEPWMNQWLTF-HNNXBMFYSA-N 1 2 377.448 3.973 20 30 GHEDLO C=CC[N@H+](Cc1cccc(C#N)c1)[C@@H](C)C(=O)Nc1cc(OC)ccc1OC ZINC000411188490 926191554 /nfs/dbraw/zinc/19/15/54/926191554.db2.gz DGWJJLFQWICWSD-INIZCTEOSA-N 1 2 379.460 3.591 20 30 GHEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@@H](C)C(=O)Nc1cc(OC)ccc1OC ZINC000411188490 926191558 /nfs/dbraw/zinc/19/15/58/926191558.db2.gz DGWJJLFQWICWSD-INIZCTEOSA-N 1 2 379.460 3.591 20 30 GHEDLO COc1ccccc1OCC[N@H+](C)Cc1cc(C#N)ccc1Br ZINC000492650199 926984915 /nfs/dbraw/zinc/98/49/15/926984915.db2.gz ISADRBDJGBOTBG-UHFFFAOYSA-N 1 2 375.266 3.840 20 30 GHEDLO COc1ccccc1OCC[N@@H+](C)Cc1cc(C#N)ccc1Br ZINC000492650199 926984927 /nfs/dbraw/zinc/98/49/27/926984927.db2.gz ISADRBDJGBOTBG-UHFFFAOYSA-N 1 2 375.266 3.840 20 30 GHEDLO N#Cc1ccc(F)c(CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)c1 ZINC000374332651 927027290 /nfs/dbraw/zinc/02/72/90/927027290.db2.gz OMKXDVFVQYYGQF-UHFFFAOYSA-N 1 2 387.418 3.934 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)c(OC(F)F)c1 ZINC000752301711 928741378 /nfs/dbraw/zinc/74/13/78/928741378.db2.gz UDRDQFBCSYMEQD-UHFFFAOYSA-N 1 2 399.397 3.675 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCc3c(cccc3N3CCOC3=O)C2)c(OC(F)F)c1 ZINC000752301711 928741381 /nfs/dbraw/zinc/74/13/81/928741381.db2.gz UDRDQFBCSYMEQD-UHFFFAOYSA-N 1 2 399.397 3.675 20 30 GHEDLO Cc1ccc(-c2noc([C@@H](C)O[NH+]=C(N)c3ccc4c(c3)CCO4)n2)cc1F ZINC000753822555 929550864 /nfs/dbraw/zinc/55/08/64/929550864.db2.gz RJXKDEFEKRFSCU-GFCCVEGCSA-N 1 2 382.395 3.517 20 30 GHEDLO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)c1 ZINC000758311057 930007143 /nfs/dbraw/zinc/00/71/43/930007143.db2.gz SFCRSKWZQLEABO-HNNXBMFYSA-N 1 2 392.908 3.714 20 30 GHEDLO N#Cc1ccccc1N1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000759064046 930261595 /nfs/dbraw/zinc/26/15/95/930261595.db2.gz CVDNTLPCNWFHSZ-LJQANCHMSA-N 1 2 376.287 3.721 20 30 GHEDLO CC[C@@H]([NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1cccc(C#N)c1O ZINC000924775479 931533500 /nfs/dbraw/zinc/53/35/00/931533500.db2.gz ACOUTHLCYINFPB-UXHICEINSA-N 1 2 379.460 3.622 20 30 GHEDLO COc1cc2cc[nH+]c(N3CCN(c4ccc(C#N)cc4F)CC3)c2cc1F ZINC000558006036 931799289 /nfs/dbraw/zinc/79/92/89/931799289.db2.gz JDPZPAYZHMFKGC-UHFFFAOYSA-N 1 2 380.398 3.720 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@](C)(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)C1 ZINC000798945178 932830137 /nfs/dbraw/zinc/83/01/37/932830137.db2.gz IIUZLULQSNJQSH-DENIHFKCSA-N 1 2 385.508 3.579 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@](C)(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)C1 ZINC000798945178 932830142 /nfs/dbraw/zinc/83/01/42/932830142.db2.gz IIUZLULQSNJQSH-DENIHFKCSA-N 1 2 385.508 3.579 20 30 GHEDLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C)c(C#N)c1 ZINC000799354034 932962762 /nfs/dbraw/zinc/96/27/62/932962762.db2.gz ZANABXQQJUXKHB-GAJHUEQPSA-N 1 2 390.531 3.943 20 30 GHEDLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C)c(C#N)c1 ZINC000799354034 932962764 /nfs/dbraw/zinc/96/27/64/932962764.db2.gz ZANABXQQJUXKHB-GAJHUEQPSA-N 1 2 390.531 3.943 20 30 GHEDLO CCc1cc(C#N)ccc1OC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000799440106 933005276 /nfs/dbraw/zinc/00/52/76/933005276.db2.gz DTWSITJLFFIIKK-UHFFFAOYSA-N 1 2 388.427 3.565 20 30 GHEDLO CCCCCCCS(=O)(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000799763801 933110593 /nfs/dbraw/zinc/11/05/93/933110593.db2.gz FTOALKKPAWVGSM-UHFFFAOYSA-N 1 2 388.524 3.819 20 30 GHEDLO CON=Cc1ccc(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)cc1 ZINC001115972041 933264140 /nfs/dbraw/zinc/26/41/40/933264140.db2.gz QLCNVIZLRAGVOW-UHFFFAOYSA-N 1 2 391.475 3.781 20 30 GHEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000561241595 933984270 /nfs/dbraw/zinc/98/42/70/933984270.db2.gz WFXZGJSWLVBTBX-UHFFFAOYSA-N 1 2 377.492 3.927 20 30 GHEDLO Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2c[nH+]ccc2-n2ccnn2)cc1 ZINC000561853862 934509370 /nfs/dbraw/zinc/50/93/70/934509370.db2.gz JQEGGTJIBHEZOP-UHFFFAOYSA-N 1 2 396.410 3.887 20 30 GHEDLO Cc1ccc([C@@H]2CCN(c3nnc(C4CC[NH+](CCC#N)CC4)n3C)C2)c(C)c1 ZINC001121416075 934650837 /nfs/dbraw/zinc/65/08/37/934650837.db2.gz ZRWPFYMBNVBBMO-HXUWFJFHSA-N 1 2 392.551 3.519 20 30 GHEDLO C=CCn1c([C@H]2C[C@H]2OCCCC)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001121566307 934699737 /nfs/dbraw/zinc/69/97/37/934699737.db2.gz REEMDFJLYAAXAJ-RBUKOAKNSA-N 1 2 396.539 3.613 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N(C)[C@@H]1CCC[C@@H]1C#N ZINC001121582198 934705531 /nfs/dbraw/zinc/70/55/31/934705531.db2.gz SFCCTXUGAXFVFG-DFQSSKMNSA-N 1 2 378.524 3.786 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N(C)[C@@H]1CCC[C@@H]1C#N ZINC001121582198 934705536 /nfs/dbraw/zinc/70/55/36/934705536.db2.gz SFCCTXUGAXFVFG-DFQSSKMNSA-N 1 2 378.524 3.786 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(Cc1cccs1)C(C)C ZINC001121713589 934745422 /nfs/dbraw/zinc/74/54/22/934745422.db2.gz ZYVFKOQDFYPBIX-UHFFFAOYSA-N 1 2 386.569 3.868 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931917415 934764697 /nfs/dbraw/zinc/76/46/97/934764697.db2.gz YTAHKRZGYDTPFR-CQSZACIVSA-N 1 2 375.753 3.517 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931917415 934764700 /nfs/dbraw/zinc/76/47/00/934764700.db2.gz YTAHKRZGYDTPFR-CQSZACIVSA-N 1 2 375.753 3.517 20 30 GHEDLO C[C@H](c1nnc(-c2ccccc2F)s1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000562363110 934837371 /nfs/dbraw/zinc/83/73/71/934837371.db2.gz BITCAMBQYQIPEL-UKRRQHHQSA-N 1 2 395.463 3.825 20 30 GHEDLO C[C@H](c1nnc(-c2ccccc2F)s1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000562363110 934837375 /nfs/dbraw/zinc/83/73/75/934837375.db2.gz BITCAMBQYQIPEL-UKRRQHHQSA-N 1 2 395.463 3.825 20 30 GHEDLO C=C(C)Cn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@H](COC)C1 ZINC001122441262 934871015 /nfs/dbraw/zinc/87/10/15/934871015.db2.gz RKAXBCAMTWRBQJ-QUCCMNQESA-N 1 2 383.540 3.520 20 30 GHEDLO C=C(C)Cn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@H](COC)C1 ZINC001122441262 934871022 /nfs/dbraw/zinc/87/10/22/934871022.db2.gz RKAXBCAMTWRBQJ-QUCCMNQESA-N 1 2 383.540 3.520 20 30 GHEDLO Cc1c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)cnn1-c1cc[nH+]cc1 ZINC001122499845 934883897 /nfs/dbraw/zinc/88/38/97/934883897.db2.gz LYYNNSCBQOGVRX-CQSZACIVSA-N 1 2 392.369 3.811 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCCO[C@@H](c2ccccc2)C1 ZINC001122623389 934924385 /nfs/dbraw/zinc/92/43/85/934924385.db2.gz SRZSNJWZVVPZNC-LEWJYISDSA-N 1 2 395.551 3.979 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCCO[C@@H](c2ccccc2)C1 ZINC001122623389 934924388 /nfs/dbraw/zinc/92/43/88/934924388.db2.gz SRZSNJWZVVPZNC-LEWJYISDSA-N 1 2 395.551 3.979 20 30 GHEDLO CC1CCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2Cc2cccs2)CC1 ZINC001122914781 935028364 /nfs/dbraw/zinc/02/83/64/935028364.db2.gz GJBQWELUQVOWFU-UHFFFAOYSA-N 1 2 398.580 3.717 20 30 GHEDLO Cc1cccc2[nH]c([C@H](C#N)C(=O)c3cnn(-c4cc[nH+]cc4)c3C(F)F)nc21 ZINC000490808902 1014722761 /nfs/dbraw/zinc/72/27/61/1014722761.db2.gz FHXZWBHKOHPSPA-CYBMUJFWSA-N 1 2 392.369 3.880 20 30 GHEDLO Cc1cccc2nc([C@H](C#N)C(=O)c3cnn(-c4cc[nH+]cc4)c3C(F)F)[nH]c21 ZINC000490808902 1014722773 /nfs/dbraw/zinc/72/27/73/1014722773.db2.gz FHXZWBHKOHPSPA-CYBMUJFWSA-N 1 2 392.369 3.880 20 30 GHEDLO C=CCO[C@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC001323783921 1057012292 /nfs/dbraw/zinc/01/22/92/1057012292.db2.gz AMCOGMGVTAJLLB-LBPRGKRZSA-N 1 2 391.103 3.694 20 30 GHEDLO C=CCO[C@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC001323783921 1057012297 /nfs/dbraw/zinc/01/22/97/1057012297.db2.gz AMCOGMGVTAJLLB-LBPRGKRZSA-N 1 2 391.103 3.694 20 30 GHEDLO C=C[C@H](COC)NC(=O)N1CC[N@H+](Cc2ccc(Cl)cc2)C[C@@H]1CC(C)C ZINC001226866203 1032165609 /nfs/dbraw/zinc/16/56/09/1032165609.db2.gz HUIWXKAURDKPLQ-UXHICEINSA-N 1 2 393.959 3.783 20 30 GHEDLO C=C[C@H](COC)NC(=O)N1CC[N@@H+](Cc2ccc(Cl)cc2)C[C@@H]1CC(C)C ZINC001226866203 1032165611 /nfs/dbraw/zinc/16/56/11/1032165611.db2.gz HUIWXKAURDKPLQ-UXHICEINSA-N 1 2 393.959 3.783 20 30 GHEDLO N#Cc1ccc(C2CCN(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC001221582874 1032470095 /nfs/dbraw/zinc/47/00/95/1032470095.db2.gz YTKRFZMGAJOAAZ-UHFFFAOYSA-N 1 2 385.471 3.833 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC001204417007 1032846924 /nfs/dbraw/zinc/84/69/24/1032846924.db2.gz RSKJEOXYKBQBTB-KRWDZBQOSA-N 1 2 381.398 3.621 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC001204417007 1032846942 /nfs/dbraw/zinc/84/69/42/1032846942.db2.gz RSKJEOXYKBQBTB-KRWDZBQOSA-N 1 2 381.398 3.621 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2cc(Br)cnc2F)C1 ZINC001228547593 1032981110 /nfs/dbraw/zinc/98/11/10/1032981110.db2.gz JNMWBSDTTGZONK-HNNXBMFYSA-N 1 2 376.229 3.508 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2cc(Br)cnc2F)C1 ZINC001228547593 1032981112 /nfs/dbraw/zinc/98/11/12/1032981112.db2.gz JNMWBSDTTGZONK-HNNXBMFYSA-N 1 2 376.229 3.508 20 30 GHEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2cccc(C#Cc3cccs3)c2)C1 ZINC000677365906 1021825435 /nfs/dbraw/zinc/82/54/35/1021825435.db2.gz ZOGPBCLOIGGSIW-KRWDZBQOSA-N 1 2 376.485 3.903 20 30 GHEDLO CC[C@H]([NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)c1nc(C)cs1 ZINC000754321878 1022619630 /nfs/dbraw/zinc/61/96/30/1022619630.db2.gz DCWMHZUALMHKMS-GJZGRUSLSA-N 1 2 377.473 3.730 20 30 GHEDLO N#Cc1ccc2cc[nH+]c(NC[C@@H]3CN(Cc4ccc(F)cc4)CCO3)c2c1 ZINC001156666098 1033168074 /nfs/dbraw/zinc/16/80/74/1033168074.db2.gz XANHQDOTSUMLQT-HXUWFJFHSA-N 1 2 376.435 3.558 20 30 GHEDLO C#C[C@H](NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC000831306867 1024483887 /nfs/dbraw/zinc/48/38/87/1024483887.db2.gz LYBGSULQBMBDKV-OPYAIIAOSA-N 1 2 377.488 3.792 20 30 GHEDLO C#CCOc1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]32)cc1OC ZINC001138345164 1024706449 /nfs/dbraw/zinc/70/64/49/1024706449.db2.gz KOOWLXUPFSDGRB-BGWNEDDSSA-N 1 2 399.531 3.646 20 30 GHEDLO C#CCOc1ccc(C[N@H+]2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]32)cc1OC ZINC001138345164 1024706462 /nfs/dbraw/zinc/70/64/62/1024706462.db2.gz KOOWLXUPFSDGRB-BGWNEDDSSA-N 1 2 399.531 3.646 20 30 GHEDLO CCSc1ncc(C[NH+]2CCC(Oc3ccc(C#N)cc3OC)CC2)cn1 ZINC001138657028 1025174240 /nfs/dbraw/zinc/17/42/40/1025174240.db2.gz PTODGEQMOCKYCH-UHFFFAOYSA-N 1 2 384.505 3.512 20 30 GHEDLO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000839013773 1025518128 /nfs/dbraw/zinc/51/81/28/1025518128.db2.gz RQQKAMKNRPTKDU-MRXNPFEDSA-N 1 2 388.468 3.736 20 30 GHEDLO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000839013773 1025518141 /nfs/dbraw/zinc/51/81/41/1025518141.db2.gz RQQKAMKNRPTKDU-MRXNPFEDSA-N 1 2 388.468 3.736 20 30 GHEDLO CCOc1ccc([C@@H](O)C2CC[NH+](Cc3c(C#N)cccc3[N+](=O)[O-])CC2)cc1 ZINC000839015200 1025520322 /nfs/dbraw/zinc/52/03/22/1025520322.db2.gz MPQZAXQTIJRVTN-JOCHJYFZSA-N 1 2 395.459 3.811 20 30 GHEDLO C=CCOc1ccccc1C[N@@H+]1Cc2c(cnn2CC2CC2)[C@H](COCC)C1 ZINC001139028161 1025795504 /nfs/dbraw/zinc/79/55/04/1025795504.db2.gz OJECBRWALIUSLK-FQEVSTJZSA-N 1 2 381.520 3.994 20 30 GHEDLO C=CCOc1ccccc1C[N@H+]1Cc2c(cnn2CC2CC2)[C@H](COCC)C1 ZINC001139028161 1025795517 /nfs/dbraw/zinc/79/55/17/1025795517.db2.gz OJECBRWALIUSLK-FQEVSTJZSA-N 1 2 381.520 3.994 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@H](F)[C@@](O)(C(F)(F)F)CC2)c1 ZINC001141654691 1026089410 /nfs/dbraw/zinc/08/94/10/1026089410.db2.gz GUOVNKPPHYOYAM-UONOGXRCSA-N 1 2 395.194 3.548 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@H+]2CC[C@H](F)[C@@](O)(C(F)(F)F)CC2)c1 ZINC001141654691 1026089422 /nfs/dbraw/zinc/08/94/22/1026089422.db2.gz GUOVNKPPHYOYAM-UONOGXRCSA-N 1 2 395.194 3.548 20 30 GHEDLO C[N@H+]1CCc2c(NC(=[NH2+])c3ccc(C(F)(F)F)cc3)ccc([N+](=O)[O-])c2C1 ZINC001163685456 1026282552 /nfs/dbraw/zinc/28/25/52/1026282552.db2.gz OFWMMMPMMFQTLE-UHFFFAOYSA-N 1 2 378.354 3.639 20 30 GHEDLO CN1CCc2c(NC(=[NH2+])c3ccc(C(F)(F)F)cc3)ccc([N+](=O)[O-])c2C1 ZINC001163685456 1026282558 /nfs/dbraw/zinc/28/25/58/1026282558.db2.gz OFWMMMPMMFQTLE-UHFFFAOYSA-N 1 2 378.354 3.639 20 30 GHEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc(OC)cc2OCc2ccccc2)CC1 ZINC001139559403 1026429784 /nfs/dbraw/zinc/42/97/84/1026429784.db2.gz OCMGXGNEDTWGSP-UHFFFAOYSA-N 1 2 394.471 3.553 20 30 GHEDLO N#Cc1c(Cl)cccc1C[NH+]1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 ZINC001139688266 1026540181 /nfs/dbraw/zinc/54/01/81/1026540181.db2.gz FAHVAOUUNWEZOF-UHFFFAOYSA-N 1 2 395.890 3.610 20 30 GHEDLO N#Cc1c(Cl)cc(Cl)nc1N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001165692007 1026798767 /nfs/dbraw/zinc/79/87/67/1026798767.db2.gz JGUFEFVSFNUIFS-ZDUSSCGKSA-N 1 2 392.290 3.520 20 30 GHEDLO C=CCOCc1nn(C)c2c1CN(c1cc(C3CCCCC3)[nH+]c(C)n1)CC2 ZINC001165790235 1026838538 /nfs/dbraw/zinc/83/85/38/1026838538.db2.gz UKQAXAXCYIIUIZ-UHFFFAOYSA-N 1 2 381.524 3.832 20 30 GHEDLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NCC(F)(F)c1ccc(F)cc1F ZINC000834292249 1026908645 /nfs/dbraw/zinc/90/86/45/1026908645.db2.gz UOPZLLGECFSXMR-GFCCVEGCSA-N 1 2 383.267 3.563 20 30 GHEDLO N#Cc1ccc2cc[nH+]c(N3CCC4(CC3)Cc3ccccc3CNC4=O)c2c1 ZINC001166308848 1026969620 /nfs/dbraw/zinc/96/96/20/1026969620.db2.gz AYYHXBZPOZTTPB-UHFFFAOYSA-N 1 2 382.467 3.566 20 30 GHEDLO N#Cc1cc(Br)ccc1CN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001141813197 1027346485 /nfs/dbraw/zinc/34/64/85/1027346485.db2.gz ANHOZEYKADJOGD-UHFFFAOYSA-N 1 2 388.284 3.778 20 30 GHEDLO N#Cc1cc(F)ccc1Nc1cncnc1[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001210550826 1027552679 /nfs/dbraw/zinc/55/26/79/1027552679.db2.gz LPDXCROYRXDOMR-NRFANRHFSA-N 1 2 389.434 3.804 20 30 GHEDLO N#Cc1cc(F)ccc1Nc1cncnc1[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001210550826 1027552687 /nfs/dbraw/zinc/55/26/87/1027552687.db2.gz LPDXCROYRXDOMR-NRFANRHFSA-N 1 2 389.434 3.804 20 30 GHEDLO N#CCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(F)c(Cl)c1F)CC2 ZINC001276417528 1027564542 /nfs/dbraw/zinc/56/45/42/1027564542.db2.gz ZAYIVSJDHJLRIR-AWEZNQCLSA-N 1 2 381.854 3.640 20 30 GHEDLO COCC[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(Br)ccc1C#N)C2 ZINC001141899168 1027618329 /nfs/dbraw/zinc/61/83/29/1027618329.db2.gz FUUTUISEQYSURR-DNVCBOLYSA-N 1 2 393.325 3.728 20 30 GHEDLO COCC[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cc(Br)ccc1C#N)C2 ZINC001141899168 1027618338 /nfs/dbraw/zinc/61/83/38/1027618338.db2.gz FUUTUISEQYSURR-DNVCBOLYSA-N 1 2 393.325 3.728 20 30 GHEDLO CC(C)C(=O)N1CCC[C@@]12CC[N@H+](Cc1cc(Br)ccc1C#N)C2 ZINC001141901199 1027622995 /nfs/dbraw/zinc/62/29/95/1027622995.db2.gz RHFYLRPZFMFUND-IBGZPJMESA-N 1 2 390.325 3.544 20 30 GHEDLO CC(C)C(=O)N1CCC[C@@]12CC[N@@H+](Cc1cc(Br)ccc1C#N)C2 ZINC001141901199 1027623004 /nfs/dbraw/zinc/62/30/04/1027623004.db2.gz RHFYLRPZFMFUND-IBGZPJMESA-N 1 2 390.325 3.544 20 30 GHEDLO Cc1cc(Nc2ccc(C(=O)N3CCN(c4cccc[nH+]4)CC3)cc2)ccc1C#N ZINC001210807680 1027659352 /nfs/dbraw/zinc/65/93/52/1027659352.db2.gz MNXUXGFEEKGKMZ-UHFFFAOYSA-N 1 2 397.482 3.968 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@@]2(CCC[N@@H+]2Cc2c(F)ccc(C#N)c2F)C1 ZINC001143167282 1029878935 /nfs/dbraw/zinc/87/89/35/1029878935.db2.gz SBTLHDGRTCBEFY-FQEVSTJZSA-N 1 2 377.435 3.812 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@@]2(CCC[N@H+]2Cc2c(F)ccc(C#N)c2F)C1 ZINC001143167282 1029878940 /nfs/dbraw/zinc/87/89/40/1029878940.db2.gz SBTLHDGRTCBEFY-FQEVSTJZSA-N 1 2 377.435 3.812 20 30 GHEDLO CC(C)(C)OC(=O)NC(=S)C1CC[NH+](Cc2c(F)ccc(C#N)c2F)CC1 ZINC001143175694 1029883774 /nfs/dbraw/zinc/88/37/74/1029883774.db2.gz FZMJXTHJMAEUBC-UHFFFAOYSA-N 1 2 395.475 3.901 20 30 GHEDLO COc1cc(O)cc(O[C@H]2CC[NH2+]CC2(F)F)c1C(=O)/C=C/c1ccccc1 ZINC001218011602 1030720865 /nfs/dbraw/zinc/72/08/65/1030720865.db2.gz WWVBHGVWHWIBJB-UCFODXPJSA-N 1 2 389.398 3.673 20 30 GHEDLO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1cc(-c2coc3cc(O)ccc3c2=O)ccc1O ZINC001218456924 1030944550 /nfs/dbraw/zinc/94/45/50/1030944550.db2.gz ZJOTZNPWGMMNQV-UYAOXDASSA-N 1 2 393.439 3.947 20 30 GHEDLO C[NH+](C)[C@@H](C(=O)Nc1ccc(Br)c(C#N)n1)c1cccc(Cl)c1 ZINC001276963428 1030965155 /nfs/dbraw/zinc/96/51/55/1030965155.db2.gz STOTZOCPVYEGGT-OAHLLOKOSA-N 1 2 393.672 3.611 20 30 GHEDLO N#CCCCN1CC2(CCC1=O)CC[NH+](Cc1cncc(Cl)c1Cl)CC2 ZINC001277005017 1031158840 /nfs/dbraw/zinc/15/88/40/1031158840.db2.gz GMDGUVXZYSKEJL-UHFFFAOYSA-N 1 2 395.334 3.897 20 30 GHEDLO C#Cc1ccc(NC(=O)NC[C@@H]2C[N@H+](Cc3ccc(C)cc3)CCO2)c(Cl)c1 ZINC001220234460 1031851527 /nfs/dbraw/zinc/85/15/27/1031851527.db2.gz CQNXFISXUNNMQZ-LJQANCHMSA-N 1 2 397.906 3.652 20 30 GHEDLO C#Cc1ccc(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccc(C)cc3)CCO2)c(Cl)c1 ZINC001220234460 1031851534 /nfs/dbraw/zinc/85/15/34/1031851534.db2.gz CQNXFISXUNNMQZ-LJQANCHMSA-N 1 2 397.906 3.652 20 30 GHEDLO N#Cc1ccc(C2(C(=O)N3CC[NH2+][C@@H](c4ccc(F)cc4)C3)CCCC2)cc1 ZINC001154129105 1031941973 /nfs/dbraw/zinc/94/19/73/1031941973.db2.gz DBXCHLHJBAVAPA-OAQYLSRUSA-N 1 2 377.463 3.682 20 30 GHEDLO C=C[C@H](CC(=O)OC(C)(C)C)Oc1ncnc2c1CC[N@H+](Cc1ccccc1)C2 ZINC001226561903 1032015792 /nfs/dbraw/zinc/01/57/92/1032015792.db2.gz ZNYZETJHOJTSFJ-GOSISDBHSA-N 1 2 395.503 3.700 20 30 GHEDLO C=C[C@H](CC(=O)OC(C)(C)C)Oc1ncnc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001226561903 1032015805 /nfs/dbraw/zinc/01/58/05/1032015805.db2.gz ZNYZETJHOJTSFJ-GOSISDBHSA-N 1 2 395.503 3.700 20 30 GHEDLO N#Cc1cc(CN2CC[N@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)ccc1F ZINC001205502515 1033443770 /nfs/dbraw/zinc/44/37/70/1033443770.db2.gz ZVRMWBXFYIMOIT-LJQANCHMSA-N 1 2 377.385 3.946 20 30 GHEDLO N#Cc1cc(CN2CC[N@@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)ccc1F ZINC001205502515 1033443775 /nfs/dbraw/zinc/44/37/75/1033443775.db2.gz ZVRMWBXFYIMOIT-LJQANCHMSA-N 1 2 377.385 3.946 20 30 GHEDLO Cc1nnc(O[C@H]2CC[N@H+](Cc3ccc(Cl)c(Cl)c3)C2)c(C#N)c1C ZINC001229446013 1033485224 /nfs/dbraw/zinc/48/52/24/1033485224.db2.gz XWHGSEMNNTXOQC-AWEZNQCLSA-N 1 2 377.275 3.925 20 30 GHEDLO Cc1nnc(O[C@H]2CC[N@@H+](Cc3ccc(Cl)c(Cl)c3)C2)c(C#N)c1C ZINC001229446013 1033485231 /nfs/dbraw/zinc/48/52/31/1033485231.db2.gz XWHGSEMNNTXOQC-AWEZNQCLSA-N 1 2 377.275 3.925 20 30 GHEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc(Cl)c(Br)cc3Cl)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229562081 1033559245 /nfs/dbraw/zinc/55/92/45/1033559245.db2.gz DFAYTEGXONTSON-PUNAFYOISA-N 1 2 379.081 3.747 20 30 GHEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc(Cl)c(Br)cc3Cl)C[C@H]1[C@@H]1O[C@@H]12 ZINC001229562081 1033559251 /nfs/dbraw/zinc/55/92/51/1033559251.db2.gz DFAYTEGXONTSON-PUNAFYOISA-N 1 2 379.081 3.747 20 30 GHEDLO C=C(CC(C)C)C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC001157508856 1033627320 /nfs/dbraw/zinc/62/73/20/1033627320.db2.gz TVZFZRPSXWFQHP-UHFFFAOYSA-N 1 2 380.286 3.870 20 30 GHEDLO N#Cc1cc(OC(F)(F)F)ccc1OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001229836840 1033743015 /nfs/dbraw/zinc/74/30/15/1033743015.db2.gz KXLYOMOYHZTOSX-SFHVURJKSA-N 1 2 392.377 3.737 20 30 GHEDLO N#Cc1cc(OC(F)(F)F)ccc1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001229836840 1033743031 /nfs/dbraw/zinc/74/30/31/1033743031.db2.gz KXLYOMOYHZTOSX-SFHVURJKSA-N 1 2 392.377 3.737 20 30 GHEDLO COc1ccc(C[NH+]2CCOCC2)cc1-c1ccc(C2(C#N)CCOCC2)cc1 ZINC001206502304 1033877571 /nfs/dbraw/zinc/87/75/71/1033877571.db2.gz GAKQDNJSCMUEIT-UHFFFAOYSA-N 1 2 392.499 3.766 20 30 GHEDLO CCOc1cc(C[N@H+](C)[C@H](C)CC#N)ccc1OCc1ccc(C(=O)OC)o1 ZINC001461894940 1069850589 /nfs/dbraw/zinc/85/05/89/1069850589.db2.gz GITAFMFXKJQNJS-OAHLLOKOSA-N 1 2 386.448 3.778 20 30 GHEDLO CCOc1cc(C[N@@H+](C)[C@H](C)CC#N)ccc1OCc1ccc(C(=O)OC)o1 ZINC001461894940 1069850607 /nfs/dbraw/zinc/85/06/07/1069850607.db2.gz GITAFMFXKJQNJS-OAHLLOKOSA-N 1 2 386.448 3.778 20 30 GHEDLO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccsc1C#N)c1ccccc1Cl ZINC001208032293 1034711189 /nfs/dbraw/zinc/71/11/89/1034711189.db2.gz RHMVKUHMUGDYCM-OAHLLOKOSA-N 1 2 397.953 3.635 20 30 GHEDLO N#CCCCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(F)c(F)cc1Cl)CC2 ZINC001276575959 1034972156 /nfs/dbraw/zinc/97/21/56/1034972156.db2.gz PHENSYQLXXHIEV-CQSZACIVSA-N 1 2 381.854 3.640 20 30 GHEDLO N#Cc1nccnc1N1CC[NH+](Cc2ccc(-c3ccccc3)cc2Cl)CC1 ZINC001248820226 1036182249 /nfs/dbraw/zinc/18/22/49/1036182249.db2.gz CZORHDQUHRYDIK-UHFFFAOYSA-N 1 2 389.890 3.991 20 30 GHEDLO N#CCc1cc2ccccc2nc1-c1ccc(OCC[NH+]2CCOCC2)cc1F ZINC001244135490 1036388466 /nfs/dbraw/zinc/38/84/66/1036388466.db2.gz IMRRFENXZZOXMO-UHFFFAOYSA-N 1 2 391.446 3.818 20 30 GHEDLO N#Cc1ccc(NC(=S)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1C(F)(F)F ZINC001245771137 1036993456 /nfs/dbraw/zinc/99/34/56/1036993456.db2.gz RCWSBIDTAFCKJF-OAHLLOKOSA-N 1 2 392.406 3.822 20 30 GHEDLO CCCCCCCCNC(=S)N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001247153405 1037950725 /nfs/dbraw/zinc/95/07/25/1037950725.db2.gz FSQFVLLTJHMWSZ-UHFFFAOYSA-N 1 2 394.633 3.559 20 30 GHEDLO CCCCCCCCNC(=S)N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001247153405 1037950732 /nfs/dbraw/zinc/95/07/32/1037950732.db2.gz FSQFVLLTJHMWSZ-UHFFFAOYSA-N 1 2 394.633 3.559 20 30 GHEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1ccc(C(=O)OC)cc1Cl)CCO2 ZINC001232576818 1038346143 /nfs/dbraw/zinc/34/61/43/1038346143.db2.gz MYJNYLKCQTYZKU-WIYYLYMNSA-N 1 2 393.911 3.700 20 30 GHEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1ccc(C(=O)OC)cc1Cl)CCO2 ZINC001232576818 1038346158 /nfs/dbraw/zinc/34/61/58/1038346158.db2.gz MYJNYLKCQTYZKU-WIYYLYMNSA-N 1 2 393.911 3.700 20 30 GHEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001232606333 1038389291 /nfs/dbraw/zinc/38/92/91/1038389291.db2.gz OBJPMYLWRLCFOT-QFIPXVFZSA-N 1 2 394.906 3.764 20 30 GHEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001232606333 1038389304 /nfs/dbraw/zinc/38/93/04/1038389304.db2.gz OBJPMYLWRLCFOT-QFIPXVFZSA-N 1 2 394.906 3.764 20 30 GHEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccc(F)c2)C3)c1 ZINC001232675547 1038472136 /nfs/dbraw/zinc/47/21/36/1038472136.db2.gz BDYJCBKXFSHREK-QHCPKHFHSA-N 1 2 395.478 3.522 20 30 GHEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@@]3(C2)COCCN(c2cccc(F)c2)C3)c1 ZINC001232675547 1038472141 /nfs/dbraw/zinc/47/21/41/1038472141.db2.gz BDYJCBKXFSHREK-QHCPKHFHSA-N 1 2 395.478 3.522 20 30 GHEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1cnc(Cl)cc1Br)CC2 ZINC001232680469 1038476131 /nfs/dbraw/zinc/47/61/31/1038476131.db2.gz SVLUWXKOBFPDRJ-UHFFFAOYSA-N 1 2 398.732 3.641 20 30 GHEDLO O[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(C(F)(F)F)nc2Cl)CC[C@@H]1F ZINC001232791722 1038559449 /nfs/dbraw/zinc/55/94/49/1038559449.db2.gz WPPROKGXPFVDCK-JOYOIKCWSA-N 1 2 394.718 3.981 20 30 GHEDLO O[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C(F)(F)F)nc2Cl)CC[C@@H]1F ZINC001232791722 1038559454 /nfs/dbraw/zinc/55/94/54/1038559454.db2.gz WPPROKGXPFVDCK-JOYOIKCWSA-N 1 2 394.718 3.981 20 30 GHEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC001232891838 1038680763 /nfs/dbraw/zinc/68/07/63/1038680763.db2.gz UJPGOBUWUZUIDW-UNMCSNQZSA-N 1 2 381.451 3.542 20 30 GHEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC001232891838 1038680770 /nfs/dbraw/zinc/68/07/70/1038680770.db2.gz UJPGOBUWUZUIDW-UNMCSNQZSA-N 1 2 381.451 3.542 20 30 GHEDLO N#Cc1cc(CN2CC[NH+](Cc3ccccc3F)CC2)ccc1Br ZINC001232895303 1038686526 /nfs/dbraw/zinc/68/65/26/1038686526.db2.gz LGZZNLUTIDWTSB-UHFFFAOYSA-N 1 2 388.284 3.778 20 30 GHEDLO CCOC(=O)C1(CC)CC[NH+](Cc2ccc(Br)c(C#N)c2)CC1 ZINC001232896931 1038690156 /nfs/dbraw/zinc/69/01/56/1038690156.db2.gz BTAHEFTVDZPJHH-UHFFFAOYSA-N 1 2 379.298 3.876 20 30 GHEDLO C[C@@](O)(C1CC[NH+](Cc2ccc(Br)c(C#N)c2)CC1)C(F)(F)F ZINC001232899582 1038696528 /nfs/dbraw/zinc/69/65/28/1038696528.db2.gz RQJSAPKUKUNPLW-OAHLLOKOSA-N 1 2 391.231 3.846 20 30 GHEDLO Cc1cc(C#N)ccc1C[NH+]1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC001233082146 1038855118 /nfs/dbraw/zinc/85/51/18/1038855118.db2.gz ANEZMLAPHIVJEX-UHFFFAOYSA-N 1 2 398.304 3.587 20 30 GHEDLO COc1cccc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)c1NC(=O)OC(C)(C)C ZINC001233126529 1038912278 /nfs/dbraw/zinc/91/22/78/1038912278.db2.gz LHUGFPNWAVGUDU-MRXNPFEDSA-N 1 2 390.505 3.816 20 30 GHEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1cc(Cl)cnc1OCC)CCO2 ZINC001233171116 1038943585 /nfs/dbraw/zinc/94/35/85/1038943585.db2.gz UMJNFKYOUZLQNG-FXAWDEMLSA-N 1 2 380.916 3.707 20 30 GHEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1cc(Cl)cnc1OCC)CCO2 ZINC001233171116 1038943589 /nfs/dbraw/zinc/94/35/89/1038943589.db2.gz UMJNFKYOUZLQNG-FXAWDEMLSA-N 1 2 380.916 3.707 20 30 GHEDLO Cc1c(C)c(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)ccc1Br ZINC001233222333 1038982658 /nfs/dbraw/zinc/98/26/58/1038982658.db2.gz PBQADGNJMAKKAL-UHFFFAOYSA-N 1 2 385.309 3.655 20 30 GHEDLO C=CCCCCCC[C@@H](O)C[N@H+]1CCO[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC001253235853 1039489208 /nfs/dbraw/zinc/48/92/08/1039489208.db2.gz OXRMUWRRRBFPEM-AABGKKOBSA-N 1 2 396.572 3.584 20 30 GHEDLO C=CCCCCCC[C@@H](O)C[N@@H+]1CCO[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC001253235853 1039489218 /nfs/dbraw/zinc/48/92/18/1039489218.db2.gz OXRMUWRRRBFPEM-AABGKKOBSA-N 1 2 396.572 3.584 20 30 GHEDLO C=CCCCCCC[C@H](O)C[N@H+]1CCO[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC001253235856 1039490014 /nfs/dbraw/zinc/49/00/14/1039490014.db2.gz OXRMUWRRRBFPEM-UFYCRDLUSA-N 1 2 396.572 3.584 20 30 GHEDLO C=CCCCCCC[C@H](O)C[N@@H+]1CCO[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC001253235856 1039490017 /nfs/dbraw/zinc/49/00/17/1039490017.db2.gz OXRMUWRRRBFPEM-UFYCRDLUSA-N 1 2 396.572 3.584 20 30 GHEDLO C=CCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2nc(-c3ccc(F)cc3)cs2)C1 ZINC001254559010 1040330386 /nfs/dbraw/zinc/33/03/86/1040330386.db2.gz XSCNAKXMMSMAPB-BBRMVZONSA-N 1 2 375.469 3.553 20 30 GHEDLO C=CCO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2nc(-c3ccc(F)cc3)cs2)C1 ZINC001254559010 1040330400 /nfs/dbraw/zinc/33/04/00/1040330400.db2.gz XSCNAKXMMSMAPB-BBRMVZONSA-N 1 2 375.469 3.553 20 30 GHEDLO C=CCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2nc(-c3ccc(F)cc3)cs2)C1 ZINC001254559014 1040330700 /nfs/dbraw/zinc/33/07/00/1040330700.db2.gz XSCNAKXMMSMAPB-CZUORRHYSA-N 1 2 375.469 3.553 20 30 GHEDLO C=CCO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2nc(-c3ccc(F)cc3)cs2)C1 ZINC001254559014 1040330716 /nfs/dbraw/zinc/33/07/16/1040330716.db2.gz XSCNAKXMMSMAPB-CZUORRHYSA-N 1 2 375.469 3.553 20 30 GHEDLO COc1cc(C[NH+]2CCC(Oc3ccc(C#N)cc3OC)CC2)cc(F)c1F ZINC001235450149 1040943611 /nfs/dbraw/zinc/94/36/11/1040943611.db2.gz BRVSMDGINOUYEN-UHFFFAOYSA-N 1 2 388.414 3.897 20 30 GHEDLO CC(C)(C)OC(=O)N1C[C@H]2CC[N@H+](Cc3c(F)cc(C#N)cc3F)C[C@@H]2C1 ZINC001235650195 1041091586 /nfs/dbraw/zinc/09/15/86/1041091586.db2.gz CMNDQZAOLWRTMO-HUUCEWRRSA-N 1 2 377.435 3.525 20 30 GHEDLO CC(C)(C)OC(=O)N1C[C@H]2CC[N@@H+](Cc3c(F)cc(C#N)cc3F)C[C@@H]2C1 ZINC001235650195 1041091613 /nfs/dbraw/zinc/09/16/13/1041091613.db2.gz CMNDQZAOLWRTMO-HUUCEWRRSA-N 1 2 377.435 3.525 20 30 GHEDLO COc1cc(C#N)ccc1OC1CC[NH+](Cc2nc3cc(F)ccc3[nH]2)CC1 ZINC001235695798 1041172772 /nfs/dbraw/zinc/17/27/72/1041172772.db2.gz QYKGTEHMDXXMCQ-UHFFFAOYSA-N 1 2 380.423 3.626 20 30 GHEDLO C=CCOC(=O)[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255702537 1041224494 /nfs/dbraw/zinc/22/44/94/1041224494.db2.gz ZLKMEWUAAARGCK-MCIONIFRSA-N 1 2 379.419 3.527 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1[C@H](C)CSc1ccc(F)cc1 ZINC001255743829 1041264450 /nfs/dbraw/zinc/26/44/50/1041264450.db2.gz WNFPBNXDAPFVLX-DNVCBOLYSA-N 1 2 390.528 3.720 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1[C@H](C)CSc1ccc(F)cc1 ZINC001255743829 1041264461 /nfs/dbraw/zinc/26/44/61/1041264461.db2.gz WNFPBNXDAPFVLX-DNVCBOLYSA-N 1 2 390.528 3.720 20 30 GHEDLO Cc1cc(Br)cc(C)c1C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC001235787148 1041277023 /nfs/dbraw/zinc/27/70/23/1041277023.db2.gz BBQYQYXPUICGHE-UHFFFAOYSA-N 1 2 385.309 3.655 20 30 GHEDLO CN(C)/C=[NH+]/c1ccc(-c2cccc(S(=O)(=O)NC(C)(C)C)c2)cc1C#N ZINC001236282002 1041658543 /nfs/dbraw/zinc/65/85/43/1041658543.db2.gz HZUXTWRTVKGWFF-HYARGMPZSA-N 1 2 384.505 3.523 20 30 GHEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1cc(F)c(F)c(Br)c1)CC2 ZINC001236846722 1041926504 /nfs/dbraw/zinc/92/65/04/1041926504.db2.gz CFUPUWBVANXNGP-UHFFFAOYSA-N 1 2 399.279 3.870 20 30 GHEDLO COCCOc1ccccc1N1CC[NH+](Cc2cc(Cl)cc(C#N)c2)CC1 ZINC001237752949 1042354322 /nfs/dbraw/zinc/35/43/22/1042354322.db2.gz CFBFNQYWWSHNFZ-UHFFFAOYSA-N 1 2 385.895 3.559 20 30 GHEDLO COC[C@H]1C[N@H+](Cc2ccc(C#N)c(OC)c2)Cc2cn(CC3CCCC3)nc21 ZINC001238405328 1042586243 /nfs/dbraw/zinc/58/62/43/1042586243.db2.gz DFTQYZQOBGMXJB-OAQYLSRUSA-N 1 2 394.519 3.699 20 30 GHEDLO COC[C@H]1C[N@@H+](Cc2ccc(C#N)c(OC)c2)Cc2cn(CC3CCCC3)nc21 ZINC001238405328 1042586246 /nfs/dbraw/zinc/58/62/46/1042586246.db2.gz DFTQYZQOBGMXJB-OAQYLSRUSA-N 1 2 394.519 3.699 20 30 GHEDLO CCOc1cc(C[NH+]2CCC(Oc3ccc(C#N)cc3OC)CC2)c(F)cn1 ZINC001238731412 1042706180 /nfs/dbraw/zinc/70/61/80/1042706180.db2.gz HJVNMBQCQXACNF-UHFFFAOYSA-N 1 2 385.439 3.543 20 30 GHEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1ccc(F)c(F)c1Br)CC2 ZINC001238756376 1042715757 /nfs/dbraw/zinc/71/57/57/1042715757.db2.gz TXAYYXVQJYEZBU-UHFFFAOYSA-N 1 2 399.279 3.870 20 30 GHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)C(F)(F)c3ccccc3C#N)n2)C1 ZINC001291919409 1043529688 /nfs/dbraw/zinc/52/96/88/1043529688.db2.gz JEOXBGKHFVHIHA-ZDUSSCGKSA-N 1 2 390.459 3.977 20 30 GHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)C(F)(F)c3ccccc3C#N)n2)C1 ZINC001291919409 1043529699 /nfs/dbraw/zinc/52/96/99/1043529699.db2.gz JEOXBGKHFVHIHA-ZDUSSCGKSA-N 1 2 390.459 3.977 20 30 GHEDLO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(C#N)s1)c1ccccc1Cl ZINC001462730350 1070504170 /nfs/dbraw/zinc/50/41/70/1070504170.db2.gz MXMPADYWEWBRQJ-INIZCTEOSA-N 1 2 397.953 3.635 20 30 GHEDLO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC001292437621 1043734123 /nfs/dbraw/zinc/73/41/23/1043734123.db2.gz PASMQFZROZEODI-CQSZACIVSA-N 1 2 378.860 3.617 20 30 GHEDLO C=CCN(C)c1nnc(CCc2ccccc2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001301305651 1046467494 /nfs/dbraw/zinc/46/74/94/1046467494.db2.gz JVXVUSJFKHVBKE-FQEVSTJZSA-N 1 2 390.535 3.768 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCc2cc(C)cc(C)c2C1 ZINC001263025109 1046511386 /nfs/dbraw/zinc/51/13/86/1046511386.db2.gz TUPDMVQOZRGPOR-UHFFFAOYSA-N 1 2 392.551 3.571 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[C@@H](COc2ccccc2)C1 ZINC001263301327 1046699283 /nfs/dbraw/zinc/69/92/83/1046699283.db2.gz NDYOKHAMUCKCRW-UYAOXDASSA-N 1 2 381.524 3.526 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[C@@H](COc2ccccc2)C1 ZINC001263301327 1046699290 /nfs/dbraw/zinc/69/92/90/1046699290.db2.gz NDYOKHAMUCKCRW-UYAOXDASSA-N 1 2 381.524 3.526 20 30 GHEDLO CN(Cc1ccccc1F)c1nnc(C2CC[NH+](CCC#N)CC2)n1CC1CC1 ZINC001263756513 1047095464 /nfs/dbraw/zinc/09/54/64/1047095464.db2.gz QBWHIGBNZPAVDF-UHFFFAOYSA-N 1 2 396.514 3.557 20 30 GHEDLO CSc1cccc(Cl)c1CN1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001279495765 1047825398 /nfs/dbraw/zinc/82/53/98/1047825398.db2.gz RZPFLPDJKFYCRT-UHFFFAOYSA-N 1 2 386.952 3.590 20 30 GHEDLO CSc1cccc(Cl)c1C[NH+]1CC2(CN(Cc3cc(C#N)n(C)c3)C2)C1 ZINC001279495765 1047825402 /nfs/dbraw/zinc/82/54/02/1047825402.db2.gz RZPFLPDJKFYCRT-UHFFFAOYSA-N 1 2 386.952 3.590 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2C[C@H](c2ccccc2)C2CC2)CC1 ZINC001286471228 1048336929 /nfs/dbraw/zinc/33/69/29/1048336929.db2.gz HTLFBSMMIKREIH-DENIHFKCSA-N 1 2 391.563 3.741 20 30 GHEDLO C=CCN(C)c1nnc(C2CCCC2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001286723329 1048479883 /nfs/dbraw/zinc/47/98/83/1048479883.db2.gz LVMUNAFHFBDKQC-UHFFFAOYSA-N 1 2 380.471 3.931 20 30 GHEDLO C#C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C1 ZINC001307878416 1049660272 /nfs/dbraw/zinc/66/02/72/1049660272.db2.gz SVTCHKXYDBSHET-QWHCGFSZSA-N 1 2 375.444 3.761 20 30 GHEDLO C#C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C1 ZINC001307878416 1049660280 /nfs/dbraw/zinc/66/02/80/1049660280.db2.gz SVTCHKXYDBSHET-QWHCGFSZSA-N 1 2 375.444 3.761 20 30 GHEDLO COC(=O)[C@H]1C[C@@H](C(F)(F)F)C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC001307930718 1049704286 /nfs/dbraw/zinc/70/42/86/1049704286.db2.gz YLEMOMOBINZWLT-DZGCQCFKSA-N 1 2 393.327 3.730 20 30 GHEDLO COC(=O)[C@H]1C[C@@H](C(F)(F)F)C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC001307930718 1049704296 /nfs/dbraw/zinc/70/42/96/1049704296.db2.gz YLEMOMOBINZWLT-DZGCQCFKSA-N 1 2 393.327 3.730 20 30 GHEDLO C#Cc1ccccc1CC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC001290854012 1049939190 /nfs/dbraw/zinc/93/91/90/1049939190.db2.gz JFAWAMGLNBVFIA-FQEVSTJZSA-N 1 2 384.882 3.956 20 30 GHEDLO C[C@@H](CC(C)(C)C#N)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC001308693632 1050061600 /nfs/dbraw/zinc/06/16/00/1050061600.db2.gz USPDVIJLKGESHZ-AWEZNQCLSA-N 1 2 379.346 3.941 20 30 GHEDLO N#Cc1cc(F)cc(S(=O)(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1 ZINC001309494796 1050763791 /nfs/dbraw/zinc/76/37/91/1050763791.db2.gz YTTZUHWMCFUUQJ-UHFFFAOYSA-N 1 2 397.431 3.665 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@H](Nc2ccccc2)C1 ZINC001339528334 1050896836 /nfs/dbraw/zinc/89/68/36/1050896836.db2.gz IWDNLYWNPNTOMT-UXHICEINSA-N 1 2 380.540 3.702 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@H](Nc2ccccc2)C1 ZINC001339528334 1050896842 /nfs/dbraw/zinc/89/68/42/1050896842.db2.gz IWDNLYWNPNTOMT-UXHICEINSA-N 1 2 380.540 3.702 20 30 GHEDLO C=CCn1c(=S)n(C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)nc1-c1ccncc1 ZINC001330664437 1051060856 /nfs/dbraw/zinc/06/08/56/1051060856.db2.gz IDZVNRGNZWWPJH-OALUTQOASA-N 1 2 399.564 3.901 20 30 GHEDLO C=CCn1c(=S)n(C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)nc1-c1ccncc1 ZINC001330664437 1051060860 /nfs/dbraw/zinc/06/08/60/1051060860.db2.gz IDZVNRGNZWWPJH-OALUTQOASA-N 1 2 399.564 3.901 20 30 GHEDLO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCc1cn(C)c[nH+]1 ZINC001310182297 1051210492 /nfs/dbraw/zinc/21/04/92/1051210492.db2.gz QYRVAQJRYVGOTI-UHFFFAOYSA-N 1 2 375.432 3.757 20 30 GHEDLO N#Cc1sc(NC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)nc1Cl ZINC001310857392 1051656061 /nfs/dbraw/zinc/65/60/61/1051656061.db2.gz MFWCKNQYEASTQD-UHFFFAOYSA-N 1 2 393.259 3.829 20 30 GHEDLO C#Cc1ccc(NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)c(Cl)c1 ZINC001311258198 1051972630 /nfs/dbraw/zinc/97/26/30/1051972630.db2.gz GXTJVZHJZOUMOV-UHFFFAOYSA-N 1 2 383.879 3.550 20 30 GHEDLO N#Cc1ccc(CNC(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)cc1Cl ZINC001312583867 1052799864 /nfs/dbraw/zinc/79/98/64/1052799864.db2.gz ZPYMSNOJPKJWOX-LJQANCHMSA-N 1 2 379.851 3.649 20 30 GHEDLO C#C[C@H](CC)NC(=O)N1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC001312809076 1052877378 /nfs/dbraw/zinc/87/73/78/1052877378.db2.gz YPWRUEBVWGDGBM-JOCHJYFZSA-N 1 2 391.515 3.505 20 30 GHEDLO CC(C)Cn1c(CCCCC#N)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001342890818 1053414900 /nfs/dbraw/zinc/41/49/00/1053414900.db2.gz CPZNCXHOENHAEP-UHFFFAOYSA-N 1 2 381.528 3.646 20 30 GHEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@H](C(C)(C)C)C1 ZINC001343458678 1053783262 /nfs/dbraw/zinc/78/32/62/1053783262.db2.gz FSSFMDVNGVYVAQ-IBGZPJMESA-N 1 2 384.572 3.820 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCc2sc(Cl)cc2C1 ZINC001343546283 1053863263 /nfs/dbraw/zinc/86/32/63/1053863263.db2.gz OWJZSJCHVRZOSR-CQSZACIVSA-N 1 2 377.945 3.899 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCc2sc(Cl)cc2C1 ZINC001343546283 1053863279 /nfs/dbraw/zinc/86/32/79/1053863279.db2.gz OWJZSJCHVRZOSR-CQSZACIVSA-N 1 2 377.945 3.899 20 30 GHEDLO C=C(C)Cn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N(C)C[C@@H]1CCOC1 ZINC001343553386 1053870868 /nfs/dbraw/zinc/87/08/68/1053870868.db2.gz HDDXEVDHAYDLPS-QUCCMNQESA-N 1 2 383.540 3.520 20 30 GHEDLO C=C(C)Cn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N(C)C[C@@H]1CCOC1 ZINC001343553386 1053870896 /nfs/dbraw/zinc/87/08/96/1053870896.db2.gz HDDXEVDHAYDLPS-QUCCMNQESA-N 1 2 383.540 3.520 20 30 GHEDLO CC(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC(F)(F)CC[C@@H]1C ZINC001343677734 1053967791 /nfs/dbraw/zinc/96/77/91/1053967791.db2.gz SDRFMKAOILZZML-INIZCTEOSA-N 1 2 394.514 3.651 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCc2c(CC#N)cccc2C1 ZINC001343928523 1054123386 /nfs/dbraw/zinc/12/33/86/1054123386.db2.gz PJUWRSJPQTZSNV-NRFANRHFSA-N 1 2 390.535 3.640 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCc2c(CC#N)cccc2C1 ZINC001343928523 1054123394 /nfs/dbraw/zinc/12/33/94/1054123394.db2.gz PJUWRSJPQTZSNV-NRFANRHFSA-N 1 2 390.535 3.640 20 30 GHEDLO C=C(C)CN(Cc1ccccc1)c1nnc([C@H]2CCC[N@H+]2C)n1C[C@@H]1CCOC1 ZINC001345628388 1055169997 /nfs/dbraw/zinc/16/99/97/1055169997.db2.gz VQTDHKUJFBBIKC-LEWJYISDSA-N 1 2 395.551 3.664 20 30 GHEDLO C=C(C)CN(Cc1ccccc1)c1nnc([C@H]2CCC[N@@H+]2C)n1C[C@@H]1CCOC1 ZINC001345628388 1055170001 /nfs/dbraw/zinc/17/00/01/1055170001.db2.gz VQTDHKUJFBBIKC-LEWJYISDSA-N 1 2 395.551 3.664 20 30 GHEDLO CC(C)CC[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(CC#N)cc3)c2C1 ZINC001320026291 1055607268 /nfs/dbraw/zinc/60/72/68/1055607268.db2.gz PSJSWGRQRZUJNM-UHFFFAOYSA-N 1 2 383.517 3.915 20 30 GHEDLO CC(C)CC[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(CC#N)cc3)c2C1 ZINC001320026291 1055607273 /nfs/dbraw/zinc/60/72/73/1055607273.db2.gz PSJSWGRQRZUJNM-UHFFFAOYSA-N 1 2 383.517 3.915 20 30 GHEDLO C#CCN(CC)c1nnc(CC2CCCC2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001300633560 1056734019 /nfs/dbraw/zinc/73/40/19/1056734019.db2.gz KTXTXNPSDVFRNE-LJQANCHMSA-N 1 2 380.540 3.553 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2C[C@H](CC)c2ccccc2)CC1 ZINC001300681766 1056857685 /nfs/dbraw/zinc/85/76/85/1056857685.db2.gz BGPLCTWDQDULMV-PMACEKPBSA-N 1 2 379.552 3.741 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCO[C@H](c2ccccc2C)C1 ZINC001355930690 1057320990 /nfs/dbraw/zinc/32/09/90/1057320990.db2.gz ZJLNQRFUHGUBEO-PMACEKPBSA-N 1 2 381.524 3.507 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCO[C@H](c2ccccc2C)C1 ZINC001355930690 1057320995 /nfs/dbraw/zinc/32/09/95/1057320995.db2.gz ZJLNQRFUHGUBEO-PMACEKPBSA-N 1 2 381.524 3.507 20 30 GHEDLO Cc1ccc2[nH+]c(CSCc3nnc(COc4ccccc4C#N)o3)cn2c1 ZINC001325751863 1057358407 /nfs/dbraw/zinc/35/84/07/1057358407.db2.gz FWCBAFOSYXPNIU-UHFFFAOYSA-N 1 2 391.456 3.910 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 ZINC001356238631 1057442974 /nfs/dbraw/zinc/44/29/74/1057442974.db2.gz JMYYWGIGTKOIOL-SLFFLAALSA-N 1 2 398.555 3.549 20 30 GHEDLO CCN(Cc1ccc(Cl)s1)c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001338298192 1058502019 /nfs/dbraw/zinc/50/20/19/1058502019.db2.gz STMILSUTUSRETE-UHFFFAOYSA-N 1 2 392.960 3.650 20 30 GHEDLO N#Cc1c(F)cccc1C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001338444876 1058572158 /nfs/dbraw/zinc/57/21/58/1058572158.db2.gz NFFBMWZHYRUYOE-UHFFFAOYSA-N 1 2 377.423 3.812 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC[C@H](OCC2CC2)C1 ZINC001339023943 1058929234 /nfs/dbraw/zinc/92/92/34/1058929234.db2.gz SPOHLTXSPPMSML-VQTJNVASSA-N 1 2 398.555 3.692 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(Cc1ccco1)Cc1cccs1 ZINC001339091195 1058956248 /nfs/dbraw/zinc/95/62/48/1058956248.db2.gz OZPWMRINVZMMGO-UHFFFAOYSA-N 1 2 394.504 3.650 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1Cc2ccccc2[C@@H](C)C1 ZINC001341036712 1060348397 /nfs/dbraw/zinc/34/83/97/1060348397.db2.gz RURFHKZKCVNWPB-KRWDZBQOSA-N 1 2 378.524 3.515 20 30 GHEDLO Cc1cccc(C)c1[C@@H]1CCCN1c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001341441551 1060684388 /nfs/dbraw/zinc/68/43/88/1060684388.db2.gz XSRUFBUYZZCXML-FQEVSTJZSA-N 1 2 392.551 3.867 20 30 GHEDLO CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC[N@@H+]2C)n1Cc1ccccc1 ZINC001342161819 1061096752 /nfs/dbraw/zinc/09/67/52/1061096752.db2.gz BXQUTGOCKNZTLS-OAQYLSRUSA-N 1 2 386.503 3.601 20 30 GHEDLO CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC[N@H+]2C)n1Cc1ccccc1 ZINC001342161819 1061096769 /nfs/dbraw/zinc/09/67/69/1061096769.db2.gz BXQUTGOCKNZTLS-OAQYLSRUSA-N 1 2 386.503 3.601 20 30 GHEDLO Cc1cccn2cc(CC(=O)Nc3cccc(Oc4ccc(C#N)cn4)c3)[nH+]c12 ZINC001456774274 1062848745 /nfs/dbraw/zinc/84/87/45/1062848745.db2.gz IAEMDQYKZBWYJN-UHFFFAOYSA-N 1 2 383.411 3.883 20 30 GHEDLO N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H](n4cc[nH+]c4)C3)cc2)nc1 ZINC001465432302 1065609165 /nfs/dbraw/zinc/60/91/65/1065609165.db2.gz ZOKHMSKHPWJRAH-SFHVURJKSA-N 1 2 388.431 3.811 20 30 GHEDLO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC001466003711 1065952112 /nfs/dbraw/zinc/95/21/12/1065952112.db2.gz HJLDAPWGDTUHBL-FGTMMUONSA-N 1 2 390.528 3.542 20 30 GHEDLO Cc1ccc(C(=O)/C=C/C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cc1 ZINC001466145381 1065996886 /nfs/dbraw/zinc/99/68/86/1065996886.db2.gz CNODMLMEULTZLP-ZHACJKMWSA-N 1 2 377.488 3.826 20 30 GHEDLO Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)NCCNc1cccc[nH+]1 ZINC001466997374 1066436162 /nfs/dbraw/zinc/43/61/62/1066436162.db2.gz DWCNMPJEZYEZOU-UHFFFAOYSA-N 1 2 388.431 3.683 20 30 GHEDLO Cc1cc(NC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)ncc1C#N ZINC001467109216 1067073951 /nfs/dbraw/zinc/07/39/51/1067073951.db2.gz JRPAGLZLMKVLOF-UHFFFAOYSA-N 1 2 394.866 3.846 20 30 GHEDLO C[N@@H+]1CCC[C@@H]1c1nnc(N2Cc3cccc(C#N)c3C2)n1CCc1ccccc1 ZINC001357980785 1067354286 /nfs/dbraw/zinc/35/42/86/1067354286.db2.gz KKYIAAYKRCNNPP-JOCHJYFZSA-N 1 2 398.514 3.679 20 30 GHEDLO C[N@H+]1CCC[C@@H]1c1nnc(N2Cc3cccc(C#N)c3C2)n1CCc1ccccc1 ZINC001357980785 1067354297 /nfs/dbraw/zinc/35/42/97/1067354297.db2.gz KKYIAAYKRCNNPP-JOCHJYFZSA-N 1 2 398.514 3.679 20 30 GHEDLO N#CC[C@H]1CCCN(c2nnc(C[NH+]3CCCCC3)n2CCc2ccccc2)C1 ZINC001358059328 1067382996 /nfs/dbraw/zinc/38/29/96/1067382996.db2.gz AEBVYQMSZABGGB-OAQYLSRUSA-N 1 2 392.551 3.637 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(C3CCC3)n2C[C@H](CC=C)c2ccccc2)CC1 ZINC001359035536 1067659253 /nfs/dbraw/zinc/65/92/53/1067659253.db2.gz WXPZBVCVXGMBDH-QFIPXVFZSA-N 1 2 389.547 3.661 20 30 GHEDLO C=CCN(C)c1nnc(-c2ccc[nH]2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001359237005 1067843520 /nfs/dbraw/zinc/84/35/20/1067843520.db2.gz HPBFIZKOEPRBEO-UHFFFAOYSA-N 1 2 391.523 3.719 20 30 GHEDLO C=C(C)CONC(=O)N1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC001478908203 1079023760 /nfs/dbraw/zinc/02/37/60/1079023760.db2.gz HWLNPCOXLUHQCP-UHFFFAOYSA-N 1 2 395.503 3.601 20 30 GHEDLO C=CCn1cc2ccc(NC(=O)[C@H]3CCCC[N@@H+]3Cc3cccnc3)cc2n1 ZINC001472036374 1073312983 /nfs/dbraw/zinc/31/29/83/1073312983.db2.gz GLIWVOUMPQNGKV-OAQYLSRUSA-N 1 2 375.476 3.611 20 30 GHEDLO C=CCn1cc2ccc(NC(=O)[C@H]3CCCC[N@H+]3Cc3cccnc3)cc2n1 ZINC001472036374 1073312985 /nfs/dbraw/zinc/31/29/85/1073312985.db2.gz GLIWVOUMPQNGKV-OAQYLSRUSA-N 1 2 375.476 3.611 20 30 GHEDLO CC(C)(C)c1csc(CC2CC[NH+]([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)n1 ZINC001473633785 1074059685 /nfs/dbraw/zinc/05/96/85/1074059685.db2.gz YYRSVZNWBKZSPS-FQEVSTJZSA-N 1 2 396.560 3.793 20 30 GHEDLO C=CC[N@@H+](CC(=O)Nc1sc(C(C)=O)c(C)c1C(=O)OCC)C(C)(C)C ZINC001473651764 1074067880 /nfs/dbraw/zinc/06/78/80/1074067880.db2.gz RUGXBRVZFQBBCL-UHFFFAOYSA-N 1 2 380.510 3.661 20 30 GHEDLO C=CC[N@H+](CC(=O)Nc1sc(C(C)=O)c(C)c1C(=O)OCC)C(C)(C)C ZINC001473651764 1074067886 /nfs/dbraw/zinc/06/78/86/1074067886.db2.gz RUGXBRVZFQBBCL-UHFFFAOYSA-N 1 2 380.510 3.661 20 30 GHEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH+]2CCC(C)(F)CC2)c1C#N ZINC001473685829 1074085787 /nfs/dbraw/zinc/08/57/87/1074085787.db2.gz QEBASOSPIGAZBG-UHFFFAOYSA-N 1 2 386.446 3.867 20 30 GHEDLO CC[C@]1(C(=O)OC(C)(C)C)CCC[N@@H+]([C@@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC001473847246 1074172774 /nfs/dbraw/zinc/17/27/74/1074172774.db2.gz FSFIWKBPPMXYKG-GCJKJVERSA-N 1 2 386.492 3.606 20 30 GHEDLO CC[C@]1(C(=O)OC(C)(C)C)CCC[N@H+]([C@@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC001473847246 1074172776 /nfs/dbraw/zinc/17/27/76/1074172776.db2.gz FSFIWKBPPMXYKG-GCJKJVERSA-N 1 2 386.492 3.606 20 30 GHEDLO C=CCCC[N@@H+](CC)CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001473862133 1074179049 /nfs/dbraw/zinc/17/90/49/1074179049.db2.gz WBLXHJWWHANVFG-UHFFFAOYSA-N 1 2 376.456 3.689 20 30 GHEDLO C=CCCC[N@H+](CC)CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001473862133 1074179051 /nfs/dbraw/zinc/17/90/51/1074179051.db2.gz WBLXHJWWHANVFG-UHFFFAOYSA-N 1 2 376.456 3.689 20 30 GHEDLO Cc1cc(Br)cn2c(CN3CC(Oc4ccc(C#N)cc4)C3)c[nH+]c12 ZINC001474569180 1074467383 /nfs/dbraw/zinc/46/73/83/1074467383.db2.gz WUUMKNMATMUZJR-UHFFFAOYSA-N 1 2 397.276 3.540 20 30 GHEDLO CC[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001495455968 1079409833 /nfs/dbraw/zinc/40/98/33/1079409833.db2.gz VJHCUSNETLKUEL-IIBYNOLFSA-N 1 2 399.518 3.523 20 30 GHEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000819745646 606110656 /nfs/dbraw/zinc/11/06/56/606110656.db2.gz NNUFYVUHNNPXQS-UHFFFAOYSA-N 1 2 384.827 3.617 20 30 GHEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000819745646 606110658 /nfs/dbraw/zinc/11/06/58/606110658.db2.gz NNUFYVUHNNPXQS-UHFFFAOYSA-N 1 2 384.827 3.617 20 30 GHEDLO CC[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc2c(c1)OCCO2 ZINC000180620663 837403648 /nfs/dbraw/zinc/40/36/48/837403648.db2.gz XZKFWYDZHXDTTO-QGZVFWFLSA-N 1 2 376.416 3.620 20 30 GHEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1nc2ccccc2n1CCc1ccccc1 ZINC000414094843 837502655 /nfs/dbraw/zinc/50/26/55/837502655.db2.gz JCEOYAFYAYMWKG-LJQANCHMSA-N 1 2 394.544 3.577 20 30 GHEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1nc2ccccc2n1CCc1ccccc1 ZINC000414094843 837502659 /nfs/dbraw/zinc/50/26/59/837502659.db2.gz JCEOYAFYAYMWKG-LJQANCHMSA-N 1 2 394.544 3.577 20 30 GHEDLO Cc1sc(NC(=O)C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)c(C#N)c1C ZINC000177044051 837728762 /nfs/dbraw/zinc/72/87/62/837728762.db2.gz RUKIYCRRQBLRPX-SFHVURJKSA-N 1 2 383.517 3.856 20 30 GHEDLO Cc1sc(NC(=O)C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)c(C#N)c1C ZINC000177044051 837728770 /nfs/dbraw/zinc/72/87/70/837728770.db2.gz RUKIYCRRQBLRPX-SFHVURJKSA-N 1 2 383.517 3.856 20 30 GHEDLO N#Cc1csc(CN(CCn2cc[nH+]c2)Cc2ccc(Br)o2)c1 ZINC000578100482 835233686 /nfs/dbraw/zinc/23/36/86/835233686.db2.gz PAQCVSSAUNFOPA-UHFFFAOYSA-N 1 2 391.294 3.874 20 30 GHEDLO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000329612955 835384090 /nfs/dbraw/zinc/38/40/90/835384090.db2.gz COIBLNUEWJVKRO-SECBINFHSA-N 1 2 384.267 3.673 20 30 GHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)NCc1ccccc1OC ZINC000512521852 844053757 /nfs/dbraw/zinc/05/37/57/844053757.db2.gz KVWYQSLRHCUHPY-SFHVURJKSA-N 1 2 384.524 3.556 20 30 GHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)NCc1ccccc1OC ZINC000512521852 844053762 /nfs/dbraw/zinc/05/37/62/844053762.db2.gz KVWYQSLRHCUHPY-SFHVURJKSA-N 1 2 384.524 3.556 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c1C#N ZINC000612174562 835778075 /nfs/dbraw/zinc/77/80/75/835778075.db2.gz HBGUGHZGUVHEGE-HXUWFJFHSA-N 1 2 376.435 3.845 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c1C#N ZINC000612174562 835778084 /nfs/dbraw/zinc/77/80/84/835778084.db2.gz HBGUGHZGUVHEGE-HXUWFJFHSA-N 1 2 376.435 3.845 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000548905473 835924653 /nfs/dbraw/zinc/92/46/53/835924653.db2.gz OCXRYYNQZABLBB-AUUYWEPGSA-N 1 2 395.528 3.681 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000548905473 835924656 /nfs/dbraw/zinc/92/46/56/835924656.db2.gz OCXRYYNQZABLBB-AUUYWEPGSA-N 1 2 395.528 3.681 20 30 GHEDLO C=CCC1(NC(=O)C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CCCC1 ZINC000658724232 835954848 /nfs/dbraw/zinc/95/48/48/835954848.db2.gz XIFFINDFYDCSOJ-UHFFFAOYSA-N 1 2 392.503 3.830 20 30 GHEDLO Cc1c(C#N)cccc1NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000179881796 836226370 /nfs/dbraw/zinc/22/63/70/836226370.db2.gz SSMDPAKTTZGUTK-PMACEKPBSA-N 1 2 398.894 3.714 20 30 GHEDLO Cc1c(C#N)cccc1NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000179881796 836226382 /nfs/dbraw/zinc/22/63/82/836226382.db2.gz SSMDPAKTTZGUTK-PMACEKPBSA-N 1 2 398.894 3.714 20 30 GHEDLO N#Cc1ccc(C[N@@H+](Cc2sc(N3CCOCC3)nc2Cl)C2CC2)cc1 ZINC000893929395 844258307 /nfs/dbraw/zinc/25/83/07/844258307.db2.gz QFYDVBUDNFDZIG-UHFFFAOYSA-N 1 2 388.924 3.669 20 30 GHEDLO N#Cc1ccc(C[N@H+](Cc2sc(N3CCOCC3)nc2Cl)C2CC2)cc1 ZINC000893929395 844258319 /nfs/dbraw/zinc/25/83/19/844258319.db2.gz QFYDVBUDNFDZIG-UHFFFAOYSA-N 1 2 388.924 3.669 20 30 GHEDLO Cc1ccc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(-c2ccnn2C)c1 ZINC000549382625 838233280 /nfs/dbraw/zinc/23/32/80/838233280.db2.gz NRKFRPDBODWSNG-UHFFFAOYSA-N 1 2 385.515 3.585 20 30 GHEDLO C=CCn1c(C)cc(C(=O)CN2CC[NH+](C/C=C/c3ccccc3)CC2)c1C ZINC000301759828 844410249 /nfs/dbraw/zinc/41/02/49/844410249.db2.gz HOYPQNXLCWEWFP-DHZHZOJOSA-N 1 2 377.532 3.805 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc4ncsc4c3)CC2)cc1 ZINC000511556513 839238696 /nfs/dbraw/zinc/23/86/96/839238696.db2.gz VKIYBOGKNPOLLI-UHFFFAOYSA-N 1 2 377.473 3.518 20 30 GHEDLO C=C[C@](C)(O)CC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000548091855 839482152 /nfs/dbraw/zinc/48/21/52/839482152.db2.gz INZGISIHIMDLNJ-QHCPKHFHSA-N 1 2 375.472 3.542 20 30 GHEDLO Cc1cccn2cc(CCNC(=O)N(Cc3ccc(C#N)cc3)C(C)C)[nH+]c12 ZINC000610461945 840165269 /nfs/dbraw/zinc/16/52/69/840165269.db2.gz QOQSCTZSRDERIX-UHFFFAOYSA-N 1 2 375.476 3.677 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+]2CC[C@H](c3ccccc3)[C@@H]2C)c1=S ZINC000162746453 840343975 /nfs/dbraw/zinc/34/39/75/840343975.db2.gz PZMPNGOSHHTOKV-WMZOPIPTSA-N 1 2 392.532 3.893 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+]2CC[C@H](c3ccccc3)[C@@H]2C)c1=S ZINC000162746453 840343987 /nfs/dbraw/zinc/34/39/87/840343987.db2.gz PZMPNGOSHHTOKV-WMZOPIPTSA-N 1 2 392.532 3.893 20 30 GHEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000660292695 841231076 /nfs/dbraw/zinc/23/10/76/841231076.db2.gz KNKVXLOYLBOFGU-NQIIRXRSSA-N 1 2 398.551 3.524 20 30 GHEDLO N#Cc1ccc(C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)[nH]1 ZINC000125293957 841379432 /nfs/dbraw/zinc/37/94/32/841379432.db2.gz BRSKKZCUDCEWLD-UHFFFAOYSA-N 1 2 381.439 3.728 20 30 GHEDLO Cc1cc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000121411647 841743079 /nfs/dbraw/zinc/74/30/79/841743079.db2.gz GCKUKYGXPRVIRI-OAQYLSRUSA-N 1 2 386.455 3.654 20 30 GHEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000599505587 861258371 /nfs/dbraw/zinc/25/83/71/861258371.db2.gz CQXXACUMYPMAFH-UHFFFAOYSA-N 1 2 395.463 3.962 20 30 GHEDLO CC(C)Oc1ccc(NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1C#N ZINC000157894619 842027342 /nfs/dbraw/zinc/02/73/42/842027342.db2.gz TZAYOCIXXNFDHE-MRXNPFEDSA-N 1 2 381.480 3.566 20 30 GHEDLO Cc1cc(C2CC[NH+]([C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)CC2)n[nH]1 ZINC000329307215 861268443 /nfs/dbraw/zinc/26/84/43/861268443.db2.gz PMBFQWOCWHSPRY-CYBMUJFWSA-N 1 2 383.521 3.996 20 30 GHEDLO Cc1cc(C2CC[NH+]([C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)CC2)[nH]n1 ZINC000329307215 861268462 /nfs/dbraw/zinc/26/84/62/861268462.db2.gz PMBFQWOCWHSPRY-CYBMUJFWSA-N 1 2 383.521 3.996 20 30 GHEDLO C=CCCCCCN(C)C(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1 ZINC000128731612 843646802 /nfs/dbraw/zinc/64/68/02/843646802.db2.gz HYEKEELFRMDTKJ-UHFFFAOYSA-N 1 2 387.505 3.701 20 30 GHEDLO O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000330313052 843663224 /nfs/dbraw/zinc/66/32/24/843663224.db2.gz WYJKDPLMRBXXDV-SFHVURJKSA-N 1 2 398.956 3.867 20 30 GHEDLO O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000330313052 843663231 /nfs/dbraw/zinc/66/32/31/843663231.db2.gz WYJKDPLMRBXXDV-SFHVURJKSA-N 1 2 398.956 3.867 20 30 GHEDLO CN(C(=O)C[NH+]1CCC(F)(C#N)CC1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000510900632 843765537 /nfs/dbraw/zinc/76/55/37/843765537.db2.gz DSDHHDOKKGUAHD-OAQYLSRUSA-N 1 2 383.442 3.701 20 30 GHEDLO CC1(C)C[N@H+](Cc2cccc(C#N)c2F)CCN1Cc1cccc(C#N)c1F ZINC000538094468 843798130 /nfs/dbraw/zinc/79/81/30/843798130.db2.gz XFCCDVSQHSWLOA-UHFFFAOYSA-N 1 2 380.442 3.805 20 30 GHEDLO CC1(C)C[N@@H+](Cc2cccc(C#N)c2F)CCN1Cc1cccc(C#N)c1F ZINC000538094468 843798133 /nfs/dbraw/zinc/79/81/33/843798133.db2.gz XFCCDVSQHSWLOA-UHFFFAOYSA-N 1 2 380.442 3.805 20 30 GHEDLO Cc1ccc(C)c(NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c1 ZINC000512851924 843886193 /nfs/dbraw/zinc/88/61/93/843886193.db2.gz QXSLKZSCQKRHSQ-UHFFFAOYSA-N 1 2 381.451 3.796 20 30 GHEDLO CC(C)[C@@H](NC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1)c1ccc(F)cc1 ZINC000599686287 861526610 /nfs/dbraw/zinc/52/66/10/861526610.db2.gz OZGJUSLGVDFPMF-HSZRJFAPSA-N 1 2 379.479 3.763 20 30 GHEDLO CC(C)[C@@H](NC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1)c1ccc(F)cc1 ZINC000599686287 861526621 /nfs/dbraw/zinc/52/66/21/861526621.db2.gz OZGJUSLGVDFPMF-HSZRJFAPSA-N 1 2 379.479 3.763 20 30 GHEDLO C=CCNC(=O)c1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000531099955 846199275 /nfs/dbraw/zinc/19/92/75/846199275.db2.gz DUPJMUYADSVSDN-OAQYLSRUSA-N 1 2 395.478 3.735 20 30 GHEDLO C=CCNC(=O)c1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000531099955 846199281 /nfs/dbraw/zinc/19/92/81/846199281.db2.gz DUPJMUYADSVSDN-OAQYLSRUSA-N 1 2 395.478 3.735 20 30 GHEDLO N#Cc1ccsc1NC(=O)C[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000370878771 846650344 /nfs/dbraw/zinc/65/03/44/846650344.db2.gz FVJQLNBUNLXWBL-SFHVURJKSA-N 1 2 382.876 3.986 20 30 GHEDLO COc1cc(C[NH+]2CCC(C)(C#N)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000272484994 847088792 /nfs/dbraw/zinc/08/87/92/847088792.db2.gz CVCAWLWWOFLTIB-UHFFFAOYSA-N 1 2 387.358 3.670 20 30 GHEDLO CCSc1ccc(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000501826408 847216271 /nfs/dbraw/zinc/21/62/71/847216271.db2.gz GWDACRYVOAPJSJ-UHFFFAOYSA-N 1 2 379.529 3.557 20 30 GHEDLO C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000582432488 847224873 /nfs/dbraw/zinc/22/48/73/847224873.db2.gz KUVNRXGPPNYWHO-UHFFFAOYSA-N 1 2 394.910 3.502 20 30 GHEDLO Cn1nc2c(c1CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)CCCC2 ZINC000329629528 861822723 /nfs/dbraw/zinc/82/27/23/861822723.db2.gz QHPHTFIMNOCGPE-HXUWFJFHSA-N 1 2 384.549 3.546 20 30 GHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](CC#N)C2CCCC2)c1C#N ZINC000472246036 848118152 /nfs/dbraw/zinc/11/81/52/848118152.db2.gz FPHIQHRTCUFLJH-UHFFFAOYSA-N 1 2 393.491 3.715 20 30 GHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](CC#N)C2CCCC2)c1C#N ZINC000472246036 848118153 /nfs/dbraw/zinc/11/81/53/848118153.db2.gz FPHIQHRTCUFLJH-UHFFFAOYSA-N 1 2 393.491 3.715 20 30 GHEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000481620802 861873541 /nfs/dbraw/zinc/87/35/41/861873541.db2.gz GEIVMZKAGFBOGF-HNNXBMFYSA-N 1 2 393.422 3.683 20 30 GHEDLO C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000582730853 848190755 /nfs/dbraw/zinc/19/07/55/848190755.db2.gz WOTCSJGGCOWKTA-UHFFFAOYSA-N 1 2 388.519 3.805 20 30 GHEDLO CCN(CCC#N)C(=O)C[NH2+][C@H](c1ccc(OC)cc1)c1ccccc1Cl ZINC000121888690 848239054 /nfs/dbraw/zinc/23/90/54/848239054.db2.gz XAJHUDJAGRLDBH-OAQYLSRUSA-N 1 2 385.895 3.790 20 30 GHEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001168743526 861893614 /nfs/dbraw/zinc/89/36/14/861893614.db2.gz OUOATBIYYQXUSG-IBGZPJMESA-N 1 2 383.879 3.542 20 30 GHEDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000732063172 862051287 /nfs/dbraw/zinc/05/12/87/862051287.db2.gz WOPMSBLKVCEMEF-LJQANCHMSA-N 1 2 389.459 3.787 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(c2ccnn2CC)CC1 ZINC000434784230 849770675 /nfs/dbraw/zinc/77/06/75/849770675.db2.gz CCMXURPXCHYQGR-UHFFFAOYSA-N 1 2 384.549 3.999 20 30 GHEDLO C[N@H+](Cc1cc(Br)c2c(c1)OCCO2)Cc1cc(C#N)ccc1F ZINC000434980775 849948738 /nfs/dbraw/zinc/94/87/38/849948738.db2.gz BILCWKAZJKWNFB-UHFFFAOYSA-N 1 2 391.240 3.863 20 30 GHEDLO C[N@@H+](Cc1cc(Br)c2c(c1)OCCO2)Cc1cc(C#N)ccc1F ZINC000434980775 849948747 /nfs/dbraw/zinc/94/87/47/849948747.db2.gz BILCWKAZJKWNFB-UHFFFAOYSA-N 1 2 391.240 3.863 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@H]3CCCc4ccccc43)CC2)cc1 ZINC000504226799 849978904 /nfs/dbraw/zinc/97/89/04/849978904.db2.gz CZMDHKFFNPJVSC-JOCHJYFZSA-N 1 2 388.515 3.506 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429160402 862087529 /nfs/dbraw/zinc/08/75/29/862087529.db2.gz GYHHFEMATHWUDZ-QZTJIDSGSA-N 1 2 393.487 3.613 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429160402 862087551 /nfs/dbraw/zinc/08/75/51/862087551.db2.gz GYHHFEMATHWUDZ-QZTJIDSGSA-N 1 2 393.487 3.613 20 30 GHEDLO N#Cc1cc(F)cc(C2(C(=O)N3CC[NH+](C/C=C\c4ccccc4)CC3)CC2)c1 ZINC000504535594 850111343 /nfs/dbraw/zinc/11/13/43/850111343.db2.gz CQTFENYHOVSTFK-DAXSKMNVSA-N 1 2 389.474 3.587 20 30 GHEDLO N#Cc1ccc(CC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)cc1 ZINC000435329766 850375490 /nfs/dbraw/zinc/37/54/90/850375490.db2.gz YIWBIJIBHGBXOL-UHFFFAOYSA-N 1 2 378.863 3.680 20 30 GHEDLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc(CC#N)c1 ZINC000439812016 850444736 /nfs/dbraw/zinc/44/47/36/850444736.db2.gz WCRIHJBJXAPYQO-MBSDFSHPSA-N 1 2 390.531 3.829 20 30 GHEDLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc(CC#N)c1 ZINC000439812016 850444740 /nfs/dbraw/zinc/44/47/40/850444740.db2.gz WCRIHJBJXAPYQO-MBSDFSHPSA-N 1 2 390.531 3.829 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3N3CCCCC3)CC2)cc1 ZINC000505154679 850656974 /nfs/dbraw/zinc/65/69/74/850656974.db2.gz KMYDXIDJDKEYGE-UHFFFAOYSA-N 1 2 388.515 3.507 20 30 GHEDLO Cc1cc(C[NH+]2CCN([C@H](C)c3nc(-c4ccccc4)no3)CC2)ccc1C#N ZINC000488181433 851242913 /nfs/dbraw/zinc/24/29/13/851242913.db2.gz KYFBLVJMEJJWKV-GOSISDBHSA-N 1 2 387.487 3.796 20 30 GHEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000516007914 852039629 /nfs/dbraw/zinc/03/96/29/852039629.db2.gz ZIAKKOLFNDUJCR-JOCHJYFZSA-N 1 2 392.503 3.663 20 30 GHEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@H]2c2nccn2CC)c(OC)c1 ZINC000549998987 852142822 /nfs/dbraw/zinc/14/28/22/852142822.db2.gz KUKSWIZGMIXXCU-UXHICEINSA-N 1 2 399.535 3.607 20 30 GHEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@H]2c2nccn2CC)c(OC)c1 ZINC000549998987 852142830 /nfs/dbraw/zinc/14/28/30/852142830.db2.gz KUKSWIZGMIXXCU-UXHICEINSA-N 1 2 399.535 3.607 20 30 GHEDLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CCN(c2ccccc2C#N)CC1 ZINC000507030518 852476315 /nfs/dbraw/zinc/47/63/15/852476315.db2.gz VNXNMWNWQAJTRG-UHFFFAOYSA-N 1 2 386.455 3.610 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@H](CC#N)c2ccccc2)[C@H](C)C1 ZINC001270152917 852601057 /nfs/dbraw/zinc/60/10/57/852601057.db2.gz BVNWSEROVDCEKT-DENIHFKCSA-N 1 2 391.515 3.815 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@H](CC#N)c2ccccc2)[C@H](C)C1 ZINC001270152917 852601062 /nfs/dbraw/zinc/60/10/62/852601062.db2.gz BVNWSEROVDCEKT-DENIHFKCSA-N 1 2 391.515 3.815 20 30 GHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)C[C@@H]2OCCc3ccccc32)c1C ZINC000507220053 852668402 /nfs/dbraw/zinc/66/84/02/852668402.db2.gz SVCLHFXMEUEVFU-QHCPKHFHSA-N 1 2 391.515 3.796 20 30 GHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)C[C@@H]2OCCc3ccccc32)c1C ZINC000507220053 852668408 /nfs/dbraw/zinc/66/84/08/852668408.db2.gz SVCLHFXMEUEVFU-QHCPKHFHSA-N 1 2 391.515 3.796 20 30 GHEDLO COc1ccccc1-c1ncc(CNc2[nH+]cccc2OCCCC#N)cn1 ZINC000427244063 852889319 /nfs/dbraw/zinc/88/93/19/852889319.db2.gz VQMGJYLKLNVXCR-UHFFFAOYSA-N 1 2 375.432 3.842 20 30 GHEDLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc(C#N)c1C ZINC000509183279 862405253 /nfs/dbraw/zinc/40/52/53/862405253.db2.gz GGVYMQKNSBGNQO-SBUREZEXSA-N 1 2 390.531 3.943 20 30 GHEDLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc(C#N)c1C ZINC000509183279 862405256 /nfs/dbraw/zinc/40/52/56/862405256.db2.gz GGVYMQKNSBGNQO-SBUREZEXSA-N 1 2 390.531 3.943 20 30 GHEDLO COc1ccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)cc1OC(F)F ZINC000509545456 852916049 /nfs/dbraw/zinc/91/60/49/852916049.db2.gz SSEGISGRIFPAOQ-UHFFFAOYSA-N 1 2 391.393 3.630 20 30 GHEDLO [O-]C(N[C@H]1CCc2c1ccc(Cl)c2Cl)=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000329927152 862429879 /nfs/dbraw/zinc/42/98/79/862429879.db2.gz WTFRRXAGOKCFHP-NHYWBVRUSA-N 1 2 379.291 3.943 20 30 GHEDLO O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329928514 862431048 /nfs/dbraw/zinc/43/10/48/862431048.db2.gz MLFHALBCVKBEAI-INIZCTEOSA-N 1 2 388.443 3.532 20 30 GHEDLO Cc1ccc2ncc(/C=C3/COC/C(=C/c4c[nH+]c5ccc(C)cn45)C3=O)n2c1 ZINC000151430053 853444671 /nfs/dbraw/zinc/44/46/71/853444671.db2.gz TZNQEEPVAIDQBR-MZAUSLISSA-N 1 2 384.439 3.665 20 30 GHEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CCO[C@@H](c3cccs3)C1)C2 ZINC000329977632 862472475 /nfs/dbraw/zinc/47/24/75/862472475.db2.gz ZVGQWQJSRXMGNE-LSDHHAIUSA-N 1 2 388.537 3.544 20 30 GHEDLO C[N@H+](Cc1cccc(C#N)c1)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O ZINC000055119239 853649369 /nfs/dbraw/zinc/64/93/69/853649369.db2.gz MKBFXSTWTFXLAO-INIZCTEOSA-N 1 2 388.254 3.629 20 30 GHEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O ZINC000055119239 853649376 /nfs/dbraw/zinc/64/93/76/853649376.db2.gz MKBFXSTWTFXLAO-INIZCTEOSA-N 1 2 388.254 3.629 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCC[C@H]3C(F)(F)F)CC2)cc1 ZINC000044879180 853884516 /nfs/dbraw/zinc/88/45/16/853884516.db2.gz WZSARMJEJXXGEV-ZWKOTPCHSA-N 1 2 379.426 3.571 20 30 GHEDLO CNc1cc(N2CCC[C@H]2CNC(=O)c2coc(C3CCCCC3)n2)nc[nH+]1 ZINC000328664881 854495732 /nfs/dbraw/zinc/49/57/32/854495732.db2.gz BZTSBFAVUMHOJB-HNNXBMFYSA-N 1 2 384.484 3.528 20 30 GHEDLO CNc1cc(N2CCC[C@H]2CNC(=O)c2coc(C3CCCCC3)n2)[nH+]cn1 ZINC000328664881 854495740 /nfs/dbraw/zinc/49/57/40/854495740.db2.gz BZTSBFAVUMHOJB-HNNXBMFYSA-N 1 2 384.484 3.528 20 30 GHEDLO CCc1cc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)c2c(n1)onc2C(C)C ZINC000328738932 854522456 /nfs/dbraw/zinc/52/24/56/854522456.db2.gz MLKPJPSRNVQIOR-UHFFFAOYSA-N 1 2 385.493 3.989 20 30 GHEDLO CCc1cc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)c2c(n1)onc2C(C)C ZINC000328738932 854522461 /nfs/dbraw/zinc/52/24/61/854522461.db2.gz MLKPJPSRNVQIOR-UHFFFAOYSA-N 1 2 385.493 3.989 20 30 GHEDLO CO[C@@]1(C)CCCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000330111100 862581774 /nfs/dbraw/zinc/58/17/74/862581774.db2.gz QXRBXFKDXPXUJX-BEFAXECRSA-N 1 2 380.558 3.812 20 30 GHEDLO CO[C@@]1(C)CCCN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000330111100 862581787 /nfs/dbraw/zinc/58/17/87/862581787.db2.gz QXRBXFKDXPXUJX-BEFAXECRSA-N 1 2 380.558 3.812 20 30 GHEDLO Cn1ncc2c1CCC[C@@H]2NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000328782044 854554002 /nfs/dbraw/zinc/55/40/02/854554002.db2.gz MZYHHWYEROHVSM-ROUUACIJSA-N 1 2 398.511 3.625 20 30 GHEDLO Cn1ncc2c1CCC[C@@H]2NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000328782044 854554010 /nfs/dbraw/zinc/55/40/10/854554010.db2.gz MZYHHWYEROHVSM-ROUUACIJSA-N 1 2 398.511 3.625 20 30 GHEDLO CC(C)N1C(=O)N[C@@H]2C[N@@H+](CC(=O)NCC3(c4ccccc4)CCCC3)CC[C@@H]21 ZINC000328953343 854615332 /nfs/dbraw/zinc/61/53/32/854615332.db2.gz IFUDJRLYUKIYSJ-UXHICEINSA-N 1 2 398.551 3.536 20 30 GHEDLO CC(C)N1C(=O)N[C@@H]2C[N@H+](CC(=O)NCC3(c4ccccc4)CCCC3)CC[C@@H]21 ZINC000328953343 854615337 /nfs/dbraw/zinc/61/53/37/854615337.db2.gz IFUDJRLYUKIYSJ-UXHICEINSA-N 1 2 398.551 3.536 20 30 GHEDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CCCC2(CCOCC2)C1 ZINC000330123853 862594516 /nfs/dbraw/zinc/59/45/16/862594516.db2.gz HSTKKIDCWQTOSC-UHFFFAOYSA-N 1 2 378.542 3.567 20 30 GHEDLO COc1c(C)c[nH+]c(CNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1C ZINC000051755208 854739219 /nfs/dbraw/zinc/73/92/19/854739219.db2.gz ZIUZYVHPEMJLSX-UHFFFAOYSA-N 1 2 391.393 3.577 20 30 GHEDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000330277244 862714873 /nfs/dbraw/zinc/71/48/73/862714873.db2.gz NZATZCPMOMRNNG-VAMGGRTRSA-N 1 2 380.492 3.979 20 30 GHEDLO C[N@@H+]1CCO[C@H]([C@@H](Nc2ccc(C#N)cc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000301899223 855777470 /nfs/dbraw/zinc/77/74/70/855777470.db2.gz SYWBISIJJSBPED-OALUTQOASA-N 1 2 386.839 3.604 20 30 GHEDLO C[N@H+]1CCO[C@H]([C@@H](Nc2ccc(C#N)cc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000301899223 855777480 /nfs/dbraw/zinc/77/74/80/855777480.db2.gz SYWBISIJJSBPED-OALUTQOASA-N 1 2 386.839 3.604 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](CC(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1 ZINC000507785315 855791600 /nfs/dbraw/zinc/79/16/00/855791600.db2.gz BOJMKBQJACMLRN-UHFFFAOYSA-N 1 2 387.842 3.833 20 30 GHEDLO CCc1noc(-c2ccc(C)c(NC(=O)N3CCC(c4[nH]cc[nH+]4)CC3)c2)n1 ZINC000330283784 862721232 /nfs/dbraw/zinc/72/12/32/862721232.db2.gz WOKMPUUJFRWOLL-UHFFFAOYSA-N 1 2 380.452 3.756 20 30 GHEDLO CC(C)Oc1ccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1C#N ZINC000178993561 855942864 /nfs/dbraw/zinc/94/28/64/855942864.db2.gz YTDJDSBXRQCLPJ-UHFFFAOYSA-N 1 2 375.432 3.853 20 30 GHEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000591390220 855943417 /nfs/dbraw/zinc/94/34/17/855943417.db2.gz GUGRWZABLVZINC-FGZHOGPDSA-N 1 2 399.498 3.952 20 30 GHEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000171142769 855980497 /nfs/dbraw/zinc/98/04/97/855980497.db2.gz KAWKAQFFISLQOD-UHFFFAOYSA-N 1 2 376.464 3.681 20 30 GHEDLO CC1CCN(C(=O)C[N@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CC1 ZINC000108748498 856003044 /nfs/dbraw/zinc/00/30/44/856003044.db2.gz SKGGGONLCKNXLS-UHFFFAOYSA-N 1 2 379.479 3.958 20 30 GHEDLO CC1CCN(C(=O)C[N@@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CC1 ZINC000108748498 856003057 /nfs/dbraw/zinc/00/30/57/856003057.db2.gz SKGGGONLCKNXLS-UHFFFAOYSA-N 1 2 379.479 3.958 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)N2CCC(CC#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000542851427 856137716 /nfs/dbraw/zinc/13/77/16/856137716.db2.gz SNZFPAJFIDIPQV-QZTJIDSGSA-N 1 2 378.879 3.560 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)N2CCC(CC#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000542851427 856137718 /nfs/dbraw/zinc/13/77/18/856137718.db2.gz SNZFPAJFIDIPQV-QZTJIDSGSA-N 1 2 378.879 3.560 20 30 GHEDLO CCOC1CC[NH+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)CC1 ZINC000060485202 856308435 /nfs/dbraw/zinc/30/84/35/856308435.db2.gz PCJIVVCVOVYYRL-UHFFFAOYSA-N 1 2 398.482 3.544 20 30 GHEDLO CC(C)OC(=O)Cc1nc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cs1 ZINC000507847351 856556277 /nfs/dbraw/zinc/55/62/77/856556277.db2.gz MVAWNYJWMRDRQN-UHFFFAOYSA-N 1 2 399.516 3.552 20 30 GHEDLO C=CCSc1ccccc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000485478482 856626473 /nfs/dbraw/zinc/62/64/73/856626473.db2.gz IZYIDMZBHIYKCF-LJQANCHMSA-N 1 2 382.529 3.596 20 30 GHEDLO C=CCSc1ccccc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000485478482 856626475 /nfs/dbraw/zinc/62/64/75/856626475.db2.gz IZYIDMZBHIYKCF-LJQANCHMSA-N 1 2 382.529 3.596 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)c(C#N)c1C ZINC000111234143 856872021 /nfs/dbraw/zinc/87/20/21/856872021.db2.gz QHAZWDFIMCGTGH-CQSZACIVSA-N 1 2 391.475 3.851 20 30 GHEDLO C=CC[N@@H+](CC(=O)NC(=O)Nc1ccc(C)cc1C)Cc1cccc(C#N)c1 ZINC000063300801 856928683 /nfs/dbraw/zinc/92/86/83/856928683.db2.gz CSHQVBSDLOXNBQ-UHFFFAOYSA-N 1 2 376.460 3.511 20 30 GHEDLO C=CC[N@H+](CC(=O)NC(=O)Nc1ccc(C)cc1C)Cc1cccc(C#N)c1 ZINC000063300801 856928691 /nfs/dbraw/zinc/92/86/91/856928691.db2.gz CSHQVBSDLOXNBQ-UHFFFAOYSA-N 1 2 376.460 3.511 20 30 GHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)CSc2nc(N)cc(C)[nH+]2)c1C#N ZINC000008528990 857143015 /nfs/dbraw/zinc/14/30/15/857143015.db2.gz GAZJBHCAJUFPDA-UHFFFAOYSA-N 1 2 398.536 3.893 20 30 GHEDLO CC[N@@H+]1CC[C@@H](NC(=O)NCC2(C#N)CCCC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000593392748 857565589 /nfs/dbraw/zinc/56/55/89/857565589.db2.gz ZZSYUEWKFLVXKB-SJLPKXTDSA-N 1 2 394.441 3.622 20 30 GHEDLO CC[N@H+]1CC[C@@H](NC(=O)NCC2(C#N)CCCC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000593392748 857565600 /nfs/dbraw/zinc/56/56/00/857565600.db2.gz ZZSYUEWKFLVXKB-SJLPKXTDSA-N 1 2 394.441 3.622 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)NCC2(C#N)CCCC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000593392747 857566224 /nfs/dbraw/zinc/56/62/24/857566224.db2.gz ZZSYUEWKFLVXKB-FUHWJXTLSA-N 1 2 394.441 3.622 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)NCC2(C#N)CCCC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000593392747 857566235 /nfs/dbraw/zinc/56/62/35/857566235.db2.gz ZZSYUEWKFLVXKB-FUHWJXTLSA-N 1 2 394.441 3.622 20 30 GHEDLO COc1cc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)ccc1C#N ZINC000443065847 858334209 /nfs/dbraw/zinc/33/42/09/858334209.db2.gz GKUGHNRFLNOMDI-FQEVSTJZSA-N 1 2 380.879 3.603 20 30 GHEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](Cc2cnc3ccccc3n2)CC1 ZINC000595467470 858540358 /nfs/dbraw/zinc/54/03/58/858540358.db2.gz GWDUSSJLHYYQHR-NRFANRHFSA-N 1 2 377.879 3.666 20 30 GHEDLO COc1ccc2c(c1)CC[N@H+]([C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)C2 ZINC000595759982 858660870 /nfs/dbraw/zinc/66/08/70/858660870.db2.gz QKWCDIOIPLSPJP-MRXNPFEDSA-N 1 2 381.451 3.528 20 30 GHEDLO COc1ccc2c(c1)CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)C2 ZINC000595759982 858660874 /nfs/dbraw/zinc/66/08/74/858660874.db2.gz QKWCDIOIPLSPJP-MRXNPFEDSA-N 1 2 381.451 3.528 20 30 GHEDLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2ccccc2)cc1F ZINC000595748426 858673768 /nfs/dbraw/zinc/67/37/68/858673768.db2.gz UDNSHNAPHNPWIO-HXUWFJFHSA-N 1 2 381.451 3.918 20 30 GHEDLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2ccccc2)cc1F ZINC000595748426 858673771 /nfs/dbraw/zinc/67/37/71/858673771.db2.gz UDNSHNAPHNPWIO-HXUWFJFHSA-N 1 2 381.451 3.918 20 30 GHEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H]2c2ccc(Br)cc2)cc1 ZINC000595845555 858693311 /nfs/dbraw/zinc/69/33/11/858693311.db2.gz OZGQDALPTVNAKO-IEBWSBKVSA-N 1 2 387.277 3.507 20 30 GHEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H]2c2ccc(Br)cc2)cc1 ZINC000595845555 858693314 /nfs/dbraw/zinc/69/33/14/858693314.db2.gz OZGQDALPTVNAKO-IEBWSBKVSA-N 1 2 387.277 3.507 20 30 GHEDLO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC3(C=Cc4ccccc4O3)CC2)C1=O ZINC000595879889 858704084 /nfs/dbraw/zinc/70/40/84/858704084.db2.gz WIKBJCNFHJGXDY-GOSISDBHSA-N 1 2 391.496 3.665 20 30 GHEDLO C=CC[N@H+](Cc1nccn1Cc1ccccc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000596211357 858816241 /nfs/dbraw/zinc/81/62/41/858816241.db2.gz TYEPVRLWBBJPEO-IBGZPJMESA-N 1 2 399.502 3.656 20 30 GHEDLO C=CC[N@@H+](Cc1nccn1Cc1ccccc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000596211357 858816249 /nfs/dbraw/zinc/81/62/49/858816249.db2.gz TYEPVRLWBBJPEO-IBGZPJMESA-N 1 2 399.502 3.656 20 30 GHEDLO CC[N@@H+](CCC#N)CCOc1c(Br)cccc1Br ZINC000482772249 858841605 /nfs/dbraw/zinc/84/16/05/858841605.db2.gz NEQCVBUWICNRGF-UHFFFAOYSA-N 1 2 376.092 3.826 20 30 GHEDLO CC[N@H+](CCC#N)CCOc1c(Br)cccc1Br ZINC000482772249 858841611 /nfs/dbraw/zinc/84/16/11/858841611.db2.gz NEQCVBUWICNRGF-UHFFFAOYSA-N 1 2 376.092 3.826 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](c2noc(CNc3ccc(C#N)cc3)n2)O1 ZINC000596614065 858969028 /nfs/dbraw/zinc/96/90/28/858969028.db2.gz PZTZRFURNYUOLX-OXQOHEQNSA-N 1 2 389.459 3.515 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](c2noc(CNc3ccc(C#N)cc3)n2)O1 ZINC000596614065 858969033 /nfs/dbraw/zinc/96/90/33/858969033.db2.gz PZTZRFURNYUOLX-OXQOHEQNSA-N 1 2 389.459 3.515 20 30 GHEDLO COC[C@H]([NH2+]CC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(C)o1 ZINC000184668291 858978336 /nfs/dbraw/zinc/97/83/36/858978336.db2.gz LLEGCZCNCWGNPG-WBVHZDCISA-N 1 2 387.505 3.898 20 30 GHEDLO COC[C@@H]([NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(C)o1 ZINC000184668242 858978639 /nfs/dbraw/zinc/97/86/39/858978639.db2.gz LLEGCZCNCWGNPG-DOTOQJQBSA-N 1 2 387.505 3.898 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)Cc2cnccc2C)c1C#N ZINC000483011171 859072748 /nfs/dbraw/zinc/07/27/48/859072748.db2.gz HSPMBCCVHIMZCU-UHFFFAOYSA-N 1 2 379.508 3.866 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)Cc2cnccc2C)c1C#N ZINC000483011171 859072752 /nfs/dbraw/zinc/07/27/52/859072752.db2.gz HSPMBCCVHIMZCU-UHFFFAOYSA-N 1 2 379.508 3.866 20 30 GHEDLO C[C@H](NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(C#N)cc1 ZINC000282538855 859145152 /nfs/dbraw/zinc/14/51/52/859145152.db2.gz MHDMSLURLDBZDO-LPHOPBHVSA-N 1 2 377.492 3.741 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCN(c3cccs3)CC2)c1 ZINC000466690173 859156358 /nfs/dbraw/zinc/15/63/58/859156358.db2.gz PAIASHNNYYUEBB-IBGZPJMESA-N 1 2 396.560 3.822 20 30 GHEDLO Cc1noc(C)c1C[NH+]1CCN(c2c(C#N)cnc3c(F)ccc(Cl)c32)CC1 ZINC000195217056 881390375 /nfs/dbraw/zinc/39/03/75/881390375.db2.gz DJHNFBCUKOVZHS-UHFFFAOYSA-N 1 2 399.857 3.826 20 30 GHEDLO COc1ccc(C[NH+]2CCN(c3ccsc3C#N)CC2)cc1OC(F)F ZINC000597182160 859341068 /nfs/dbraw/zinc/34/10/68/859341068.db2.gz SCFAFWZTXXJRHG-UHFFFAOYSA-N 1 2 379.432 3.552 20 30 GHEDLO CCOc1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)ccc1OCc1ccc(C(=O)OC)o1 ZINC000597232310 859366819 /nfs/dbraw/zinc/36/68/19/859366819.db2.gz SUKMNEIIAOMDCB-QFIPXVFZSA-N 1 2 398.459 3.779 20 30 GHEDLO CCOc1cc(C[N@H+]2CC[C@@](C)(C#N)C2)ccc1OCc1ccc(C(=O)OC)o1 ZINC000597232310 859366823 /nfs/dbraw/zinc/36/68/23/859366823.db2.gz SUKMNEIIAOMDCB-QFIPXVFZSA-N 1 2 398.459 3.779 20 30 GHEDLO CCOC(=O)[C@@H](Cc1ccc(O)cc1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170359034 881419480 /nfs/dbraw/zinc/41/94/80/881419480.db2.gz MZSUONFBTOVTCU-DJSMFCCRSA-N 1 2 392.499 3.860 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+](C)C[C@H](C)c2ccccc2)c1=S ZINC000764960746 859708568 /nfs/dbraw/zinc/70/85/68/859708568.db2.gz FDFRVGSBLINBNP-INIZCTEOSA-N 1 2 380.521 3.750 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+](C)C[C@H](C)c2ccccc2)c1=S ZINC000764960746 859708572 /nfs/dbraw/zinc/70/85/72/859708572.db2.gz FDFRVGSBLINBNP-INIZCTEOSA-N 1 2 380.521 3.750 20 30 GHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+](C)C2CCC(OC)CC2)c1=S ZINC000764988207 859718978 /nfs/dbraw/zinc/71/89/78/859718978.db2.gz FUHWYKLWQJETOK-UHFFFAOYSA-N 1 2 387.553 3.899 20 30 GHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+](C)C2CCC(OC)CC2)c1=S ZINC000764988207 859718986 /nfs/dbraw/zinc/71/89/86/859718986.db2.gz FUHWYKLWQJETOK-UHFFFAOYSA-N 1 2 387.553 3.899 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C[N@H+](CCCO)[C@H]2CCc3ccccc32)c1C#N ZINC000611348360 859722340 /nfs/dbraw/zinc/72/23/40/859722340.db2.gz WAQJYRCFVGAADR-QHCPKHFHSA-N 1 2 386.499 3.924 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](CCCO)[C@H]2CCc3ccccc32)c1C#N ZINC000611348360 859722350 /nfs/dbraw/zinc/72/23/50/859722350.db2.gz WAQJYRCFVGAADR-QHCPKHFHSA-N 1 2 386.499 3.924 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](C(F)(F)F)CC[C@H]2C)cc1 ZINC000611554343 859802865 /nfs/dbraw/zinc/80/28/65/859802865.db2.gz MEOVBEDWIQAJDR-CVEARBPZSA-N 1 2 397.441 3.995 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](C(F)(F)F)CC[C@H]2C)cc1 ZINC000611554343 859802868 /nfs/dbraw/zinc/80/28/68/859802868.db2.gz MEOVBEDWIQAJDR-CVEARBPZSA-N 1 2 397.441 3.995 20 30 GHEDLO CC(C)n1ncc2cc(C[NH+]3CCN([C@H](C#N)c4ccc(F)cc4)CC3)cnc21 ZINC000611550289 859808031 /nfs/dbraw/zinc/80/80/31/859808031.db2.gz BZYYNRWXWXDVRX-OAQYLSRUSA-N 1 2 392.482 3.534 20 30 GHEDLO C=CCNC(=O)Nc1ccc(NC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)cc1 ZINC000474418009 860018705 /nfs/dbraw/zinc/01/87/05/860018705.db2.gz VVXNSEZWSWLACL-UHFFFAOYSA-N 1 2 399.401 3.569 20 30 GHEDLO O=[N+]([O-])c1ccc(N[NH+]=Cc2ccc(N3CCOCC3)c(F)c2)c(Cl)c1 ZINC000727649471 860175541 /nfs/dbraw/zinc/17/55/41/860175541.db2.gz JYRONYSTPFQUIP-UHFFFAOYSA-N 1 2 378.791 3.670 20 30 GHEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000093669904 860327712 /nfs/dbraw/zinc/32/77/12/860327712.db2.gz PPLCJIYEBCYXMP-MRXNPFEDSA-N 1 2 379.895 3.738 20 30 GHEDLO CCO[C@@H](C)c1nc(CN2CC[NH+](Cc3ccc(C)c(C#N)c3)CC2)cs1 ZINC000599300608 861043008 /nfs/dbraw/zinc/04/30/08/861043008.db2.gz UFDSKMRNSDRTSM-KRWDZBQOSA-N 1 2 384.549 3.739 20 30 GHEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ncc(C2CCCCC2)s1 ZINC000329234432 861180178 /nfs/dbraw/zinc/18/01/78/861180178.db2.gz HTGNYPSIYMKHPP-ZBFHGGJFSA-N 1 2 378.542 3.531 20 30 GHEDLO Cc1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)c(O[C@@H](C)CC(C)C)c1 ZINC000131255086 863097046 /nfs/dbraw/zinc/09/70/46/863097046.db2.gz DPPAWFIBRIRFJF-HTAPYJJXSA-N 1 2 379.504 3.996 20 30 GHEDLO COc1cc(C[N@H+](C)CC(=O)N(CCC#N)c2ccc(C)c(C)c2)cc(OC)c1 ZINC000920089849 881629471 /nfs/dbraw/zinc/62/94/71/881629471.db2.gz VUEZGHMZJHWJPL-UHFFFAOYSA-N 1 2 395.503 3.699 20 30 GHEDLO COc1cc(C[N@@H+](C)CC(=O)N(CCC#N)c2ccc(C)c(C)c2)cc(OC)c1 ZINC000920089849 881629479 /nfs/dbraw/zinc/62/94/79/881629479.db2.gz VUEZGHMZJHWJPL-UHFFFAOYSA-N 1 2 395.503 3.699 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)c(O)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249131430 863374139 /nfs/dbraw/zinc/37/41/39/863374139.db2.gz VWSLGVUKYHOEEL-PKOBYXMFSA-N 1 2 387.842 3.622 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)c(O)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249131430 863374154 /nfs/dbraw/zinc/37/41/54/863374154.db2.gz VWSLGVUKYHOEEL-PKOBYXMFSA-N 1 2 387.842 3.622 20 30 GHEDLO Cc1nc(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)ccc1C#N ZINC000031890044 881655735 /nfs/dbraw/zinc/65/57/35/881655735.db2.gz ARCYJNFHMVZXKJ-SFHVURJKSA-N 1 2 386.858 3.621 20 30 GHEDLO Cc1oc(NC(=O)C[NH+]2CCC(c3ccc4cccnc4n3)CC2)c(C#N)c1C ZINC000594021248 863761448 /nfs/dbraw/zinc/76/14/48/863761448.db2.gz QBYJWOQPMSCIDO-UHFFFAOYSA-N 1 2 389.459 3.529 20 30 GHEDLO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H](Cc3ccccc3)c3ncco3)C2=O)cc1 ZINC000594053446 863913320 /nfs/dbraw/zinc/91/33/20/863913320.db2.gz BGMTWCORVIDNJW-LEWJYISDSA-N 1 2 386.455 3.615 20 30 GHEDLO CC(C)COC[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccco1 ZINC000184196953 864214699 /nfs/dbraw/zinc/21/46/99/864214699.db2.gz WIXLAZVYEMDISI-QGZVFWFLSA-N 1 2 375.856 3.747 20 30 GHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000475117410 864245253 /nfs/dbraw/zinc/24/52/53/864245253.db2.gz ZVHGIHDJDROHAC-UHFFFAOYSA-N 1 2 384.386 3.921 20 30 GHEDLO C=CC[N@@H+](CC(=O)N(C)Cc1ccc(SC)cc1)Cc1cccc(C#N)c1 ZINC000063388246 864687158 /nfs/dbraw/zinc/68/71/58/864687158.db2.gz PLABMNMWMCBDHZ-UHFFFAOYSA-N 1 2 379.529 3.927 20 30 GHEDLO C=CC[N@H+](CC(=O)N(C)Cc1ccc(SC)cc1)Cc1cccc(C#N)c1 ZINC000063388246 864687160 /nfs/dbraw/zinc/68/71/60/864687160.db2.gz PLABMNMWMCBDHZ-UHFFFAOYSA-N 1 2 379.529 3.927 20 30 GHEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000475289417 864720668 /nfs/dbraw/zinc/72/06/68/864720668.db2.gz AGQGUWODNDNWCP-XLIONFOSSA-N 1 2 394.519 3.783 20 30 GHEDLO COC[C@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc(C)o1 ZINC000184718476 864879780 /nfs/dbraw/zinc/87/97/80/864879780.db2.gz FBFGALBDFCZBOI-INIZCTEOSA-N 1 2 387.505 3.706 20 30 GHEDLO CCc1ccc([C@H](COC)[NH2+][C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)o1 ZINC000184782201 864924795 /nfs/dbraw/zinc/92/47/95/864924795.db2.gz MCZXCVJNSVAWLR-LRDDRELGSA-N 1 2 387.505 3.568 20 30 GHEDLO CCc1ccc([C@H](COC)[NH2+][C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)o1 ZINC000184796125 864946875 /nfs/dbraw/zinc/94/68/75/864946875.db2.gz HFXSLSABWSIOMT-PXAZEXFGSA-N 1 2 375.856 3.671 20 30 GHEDLO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000667739579 865169710 /nfs/dbraw/zinc/16/97/10/865169710.db2.gz YPMSBLJJZAHIEO-HUUCEWRRSA-N 1 2 392.272 3.640 20 30 GHEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+](C)CCc1ccc(Br)cc1 ZINC000739915516 865828050 /nfs/dbraw/zinc/82/80/50/865828050.db2.gz QCMAWRDFJLZCNT-SFHVURJKSA-N 1 2 387.277 3.709 20 30 GHEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCc1ccc(Br)cc1 ZINC000739915516 865828063 /nfs/dbraw/zinc/82/80/63/865828063.db2.gz QCMAWRDFJLZCNT-SFHVURJKSA-N 1 2 387.277 3.709 20 30 GHEDLO C=CCCOC(=O)c1cccnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000740239682 865865349 /nfs/dbraw/zinc/86/53/49/865865349.db2.gz WIRWEQYUCLQIJF-UHFFFAOYSA-N 1 2 385.895 3.790 20 30 GHEDLO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Br)[C@H](CC)CN1C(C)=O ZINC000481148013 865887968 /nfs/dbraw/zinc/88/79/68/865887968.db2.gz WBDHMGXLAGRZCF-IAGOWNOFSA-N 1 2 378.314 3.542 20 30 GHEDLO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Br)[C@H](CC)CN1C(C)=O ZINC000481148013 865887980 /nfs/dbraw/zinc/88/79/80/865887980.db2.gz WBDHMGXLAGRZCF-IAGOWNOFSA-N 1 2 378.314 3.542 20 30 GHEDLO Cc1cc(C#N)cc(NC(=O)N(Cc2ccccc2)[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000455982276 865947110 /nfs/dbraw/zinc/94/71/10/865947110.db2.gz HYKDCJLLZMYJJI-IBGZPJMESA-N 1 2 392.503 3.622 20 30 GHEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3cc(C)cc(C#N)c3)CC2)c1 ZINC000455983367 865949102 /nfs/dbraw/zinc/94/91/02/865949102.db2.gz IUUTYVDECVCXLP-KRWDZBQOSA-N 1 2 378.476 3.786 20 30 GHEDLO C[NH+](C)c1ccc(N2CCC(N=Nc3c(F)c(F)nc(F)c3F)CC2)cc1 ZINC000741457446 866528153 /nfs/dbraw/zinc/52/81/53/866528153.db2.gz QCKJZFDVBZNSDB-UHFFFAOYSA-N 1 2 381.377 3.772 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)c2ncc(C#N)cc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534394386 866679951 /nfs/dbraw/zinc/67/99/51/866679951.db2.gz DUPDWRRFLMTIFJ-DOTOQJQBSA-N 1 2 393.249 3.574 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)c2ncc(C#N)cc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534394386 866679952 /nfs/dbraw/zinc/67/99/52/866679952.db2.gz DUPDWRRFLMTIFJ-DOTOQJQBSA-N 1 2 393.249 3.574 20 30 GHEDLO Cn1c[nH+]cc1CCOC(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000793257408 882051926 /nfs/dbraw/zinc/05/19/26/882051926.db2.gz GXHFGAZHRFUDRJ-UHFFFAOYSA-N 1 2 377.469 3.984 20 30 GHEDLO Cc1ccc(CC[C@@H](C)N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])o1 ZINC000742267559 867181715 /nfs/dbraw/zinc/18/17/15/867181715.db2.gz SPVZNGWXUJDWDG-CQSZACIVSA-N 1 2 378.476 3.569 20 30 GHEDLO C=CCOc1ccc(CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000553472475 867473993 /nfs/dbraw/zinc/47/39/93/867473993.db2.gz UEXRNSPOSRILLS-UHFFFAOYSA-N 1 2 380.492 3.636 20 30 GHEDLO N#Cc1cccc(OC2CC[NH+](CN3C(=O)C[C@H]3c3ccc(Cl)cc3)CC2)c1 ZINC000743362460 868112572 /nfs/dbraw/zinc/11/25/72/868112572.db2.gz OTOFMOPRCJQAPW-NRFANRHFSA-N 1 2 395.890 3.986 20 30 GHEDLO COc1ccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cc1OC(F)F ZINC000155258185 868413940 /nfs/dbraw/zinc/41/39/40/868413940.db2.gz YDZYRYSQMJSPRN-GOSISDBHSA-N 1 2 387.430 3.679 20 30 GHEDLO O[C@H](C1CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1)C(F)(F)F ZINC000157192495 868585995 /nfs/dbraw/zinc/58/59/95/868585995.db2.gz IJKWDMAMZDPFBP-OAHLLOKOSA-N 1 2 381.316 3.572 20 30 GHEDLO CCC(CC)C[N@H+](CCC#N)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000744405827 868815012 /nfs/dbraw/zinc/81/50/12/868815012.db2.gz XDIXGHIBVMAXKS-SFHVURJKSA-N 1 2 375.476 3.876 20 30 GHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000744405827 868815027 /nfs/dbraw/zinc/81/50/27/868815027.db2.gz XDIXGHIBVMAXKS-SFHVURJKSA-N 1 2 375.476 3.876 20 30 GHEDLO C[C@@H](NC(=O)Nc1ccccc1OCCn1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000525344785 870451576 /nfs/dbraw/zinc/45/15/76/870451576.db2.gz AEIBNDMCAZFDJH-MRXNPFEDSA-N 1 2 375.432 3.716 20 30 GHEDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000191494150 882489881 /nfs/dbraw/zinc/48/98/81/882489881.db2.gz MJRWUGCEVCROHR-MOPGFXCFSA-N 1 2 384.545 3.640 20 30 GHEDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000191494150 882489886 /nfs/dbraw/zinc/48/98/86/882489886.db2.gz MJRWUGCEVCROHR-MOPGFXCFSA-N 1 2 384.545 3.640 20 30 GHEDLO N#Cc1cccc([C@H](O)C[N@@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC001169216364 871311180 /nfs/dbraw/zinc/31/11/80/871311180.db2.gz HVUQKJUERNOGSI-RTBURBONSA-N 1 2 376.378 3.684 20 30 GHEDLO N#Cc1cccc([C@H](O)C[N@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC001169216364 871311199 /nfs/dbraw/zinc/31/11/99/871311199.db2.gz HVUQKJUERNOGSI-RTBURBONSA-N 1 2 376.378 3.684 20 30 GHEDLO C=CCn1ccc2c1nc[nH+]c2Nc1cc(Cl)nn(-c2ccccc2)c1=O ZINC001169826262 871893377 /nfs/dbraw/zinc/89/33/77/871893377.db2.gz FGHSIMGXNFHMHL-UHFFFAOYSA-N 1 2 378.823 3.560 20 30 GHEDLO Cc1ccc(C[N@@H+](CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)C(C)C)s1 ZINC000101536010 872072907 /nfs/dbraw/zinc/07/29/07/872072907.db2.gz VBYFYXQKQXHIMD-NRFANRHFSA-N 1 2 396.516 3.563 20 30 GHEDLO Cc1ccc(C[N@H+](CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)C(C)C)s1 ZINC000101536010 872072928 /nfs/dbraw/zinc/07/29/28/872072928.db2.gz VBYFYXQKQXHIMD-NRFANRHFSA-N 1 2 396.516 3.563 20 30 GHEDLO N#Cc1c(C#N)c(N2CC[C@@H](CNc3cccc[nH+]3)C2)nc2c1CCCCCC2 ZINC000619479316 872674711 /nfs/dbraw/zinc/67/47/11/872674711.db2.gz RUPIPGLKGWHWRN-KRWDZBQOSA-N 1 2 386.503 3.817 20 30 GHEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000527481681 873181759 /nfs/dbraw/zinc/18/17/59/873181759.db2.gz VZDPOOZQJTTZDM-XXAPSYRMSA-N 1 2 377.532 3.980 20 30 GHEDLO Cc1ccccc1C[N@@H+]1CCO[C@H](c2noc(CCc3ccc(C#N)cc3)n2)C1 ZINC000867185666 873245313 /nfs/dbraw/zinc/24/53/13/873245313.db2.gz DAYFMKCHPFOTMG-NRFANRHFSA-N 1 2 388.471 3.608 20 30 GHEDLO Cc1ccccc1C[N@H+]1CCO[C@H](c2noc(CCc3ccc(C#N)cc3)n2)C1 ZINC000867185666 873245323 /nfs/dbraw/zinc/24/53/23/873245323.db2.gz DAYFMKCHPFOTMG-NRFANRHFSA-N 1 2 388.471 3.608 20 30 GHEDLO Cn1cc([C@H]([NH2+]Cc2cc(Cl)ccc2OCC#N)c2ccc(F)cc2)cn1 ZINC000775753101 873502740 /nfs/dbraw/zinc/50/27/40/873502740.db2.gz NUXBDRKVNHULKP-HXUWFJFHSA-N 1 2 384.842 3.994 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(Cl)ccc3OCC3CC3)CC2)cn1 ZINC001197552153 873894429 /nfs/dbraw/zinc/89/44/29/873894429.db2.gz FKSFTNNLPOYIRA-UHFFFAOYSA-N 1 2 382.895 3.718 20 30 GHEDLO Cc1cc(C)c(CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c[nH+]1 ZINC001197701967 873989831 /nfs/dbraw/zinc/98/98/31/873989831.db2.gz OSHFVKYQPKKBIJ-UHFFFAOYSA-N 1 2 377.473 3.939 20 30 GHEDLO C#C[C@H]([NH2+][C@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1)[C@H]1CCCO1 ZINC000775789481 874062481 /nfs/dbraw/zinc/06/24/81/874062481.db2.gz CXDSUPKGXSBNMW-TYPHKJRUSA-N 1 2 398.890 3.799 20 30 GHEDLO C#C[C@H]([NH2+][C@@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1)[C@@H]1CCCO1 ZINC000775789480 874062907 /nfs/dbraw/zinc/06/29/07/874062907.db2.gz CXDSUPKGXSBNMW-SESVDKBCSA-N 1 2 398.890 3.799 20 30 GHEDLO N#CCSc1ccccc1NC(=O)C[NH+]1CCC(OCC2CCCC2)CC1 ZINC000177478894 882803730 /nfs/dbraw/zinc/80/37/30/882803730.db2.gz UTARCOLFIYCTKN-UHFFFAOYSA-N 1 2 387.549 3.912 20 30 GHEDLO COc1cc(C[NH2+]C[C@@H](C)C#N)ccc1OCC(=O)Nc1ccccc1Cl ZINC000541762036 874229256 /nfs/dbraw/zinc/22/92/56/874229256.db2.gz MTVCGCDDXWGPTG-AWEZNQCLSA-N 1 2 387.867 3.615 20 30 GHEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)Nc3ccc(CC#N)cc3)CC2)cc1 ZINC000174717412 874624015 /nfs/dbraw/zinc/62/40/15/874624015.db2.gz OSVKQVXOAFOOIY-UHFFFAOYSA-N 1 2 377.492 3.609 20 30 GHEDLO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cc(Cl)sc3Cl)C2=O)cc1 ZINC000449284376 874668604 /nfs/dbraw/zinc/66/86/04/874668604.db2.gz NZNCDWJJMRYYAP-CQSZACIVSA-N 1 2 380.300 3.817 20 30 GHEDLO CS(=O)(=O)C[C@@H]1CCCC[N@@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000449526926 875003153 /nfs/dbraw/zinc/00/31/53/875003153.db2.gz FYVQXJCQRZFZSF-NRFANRHFSA-N 1 2 398.528 3.536 20 30 GHEDLO CS(=O)(=O)C[C@@H]1CCCC[N@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000449526926 875003169 /nfs/dbraw/zinc/00/31/69/875003169.db2.gz FYVQXJCQRZFZSF-NRFANRHFSA-N 1 2 398.528 3.536 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(-c4ccc[nH]4)cc3)CC2)cc1 ZINC000542382128 875455007 /nfs/dbraw/zinc/45/50/07/875455007.db2.gz ZZOFWLVKDFVFEQ-UHFFFAOYSA-N 1 2 385.471 3.903 20 30 GHEDLO N#CCOc1ccccc1Nc1cc(I)c2[nH+]ccn2c1 ZINC001212598171 875824493 /nfs/dbraw/zinc/82/44/93/875824493.db2.gz HELFAVDLULRNDV-UHFFFAOYSA-N 1 2 390.184 3.585 20 30 GHEDLO CCCCCCC[N@@H+]1Cc2ncnn2C2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001201761392 875846967 /nfs/dbraw/zinc/84/69/67/875846967.db2.gz CJHWYFGLTLSZGN-UHFFFAOYSA-N 1 2 391.560 3.790 20 30 GHEDLO CCCCCCC[N@H+]1Cc2ncnn2C2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001201761392 875846974 /nfs/dbraw/zinc/84/69/74/875846974.db2.gz CJHWYFGLTLSZGN-UHFFFAOYSA-N 1 2 391.560 3.790 20 30 GHEDLO CCCCCCCCCCS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccncc2)C1 ZINC001201836825 875898578 /nfs/dbraw/zinc/89/85/78/875898578.db2.gz GOAWKABICZGELE-FQEVSTJZSA-N 1 2 381.586 3.716 20 30 GHEDLO CCCCCCCCCCS(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccncc2)C1 ZINC001201836825 875898584 /nfs/dbraw/zinc/89/85/84/875898584.db2.gz GOAWKABICZGELE-FQEVSTJZSA-N 1 2 381.586 3.716 20 30 GHEDLO C[C@H](C#N)Oc1ccccc1NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000180022596 883045503 /nfs/dbraw/zinc/04/55/03/883045503.db2.gz NMBQDTSVGQULAO-CQSZACIVSA-N 1 2 379.395 3.624 20 30 GHEDLO C(=[NH+]OCc1cccnc1)c1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000746587393 876705693 /nfs/dbraw/zinc/70/56/93/876705693.db2.gz BFIWZXAKJRLYAA-UHFFFAOYSA-N 1 2 380.473 3.592 20 30 GHEDLO NC(=[NH+]OCC(=O)NCC1CCCCC1)c1ccc(OCc2ccccc2)cc1 ZINC000109438856 877083621 /nfs/dbraw/zinc/08/36/21/877083621.db2.gz XFHJXHODWSMHEY-UHFFFAOYSA-N 1 2 395.503 3.599 20 30 GHEDLO CC[C@H](C[N@H+](C)Cn1cccc(C#N)c1=O)Oc1ccc(Cl)c(Cl)c1 ZINC000787243577 877260587 /nfs/dbraw/zinc/26/05/87/877260587.db2.gz AFEPVXBGAVSBKH-CQSZACIVSA-N 1 2 380.275 3.774 20 30 GHEDLO CC[C@H](C[N@@H+](C)Cn1cccc(C#N)c1=O)Oc1ccc(Cl)c(Cl)c1 ZINC000787243577 877260595 /nfs/dbraw/zinc/26/05/95/877260595.db2.gz AFEPVXBGAVSBKH-CQSZACIVSA-N 1 2 380.275 3.774 20 30 GHEDLO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(Oc3ccc(C#N)cc3)c2c1C ZINC000067949482 877692552 /nfs/dbraw/zinc/69/25/52/877692552.db2.gz VMPAKFQINLVOSU-UHFFFAOYSA-N 1 2 396.472 3.902 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[N@H+](CCc2ccc(C#N)cc2)[C@@H](c2cccnc2)C1 ZINC000852014444 878032765 /nfs/dbraw/zinc/03/27/65/878032765.db2.gz CNOCDXRHPSDNLM-OAQYLSRUSA-N 1 2 392.503 3.790 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[N@@H+](CCc2ccc(C#N)cc2)[C@@H](c2cccnc2)C1 ZINC000852014444 878032783 /nfs/dbraw/zinc/03/27/83/878032783.db2.gz CNOCDXRHPSDNLM-OAQYLSRUSA-N 1 2 392.503 3.790 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550468 878130266 /nfs/dbraw/zinc/13/02/66/878130266.db2.gz RVGRBKCEILZYFU-INIZCTEOSA-N 1 2 398.850 3.938 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550468 878130281 /nfs/dbraw/zinc/13/02/81/878130281.db2.gz RVGRBKCEILZYFU-INIZCTEOSA-N 1 2 398.850 3.938 20 30 GHEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000852329304 878245088 /nfs/dbraw/zinc/24/50/88/878245088.db2.gz XUTVPKXBQLUZAB-OAQYLSRUSA-N 1 2 393.878 3.885 20 30 GHEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000852329304 878245105 /nfs/dbraw/zinc/24/51/05/878245105.db2.gz XUTVPKXBQLUZAB-OAQYLSRUSA-N 1 2 393.878 3.885 20 30 GHEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000852333817 878252575 /nfs/dbraw/zinc/25/25/75/878252575.db2.gz WAGPCTIAFVWVFX-PKOBYXMFSA-N 1 2 375.394 3.691 20 30 GHEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000852333817 878252580 /nfs/dbraw/zinc/25/25/80/878252580.db2.gz WAGPCTIAFVWVFX-PKOBYXMFSA-N 1 2 375.394 3.691 20 30 GHEDLO Cc1cc(C(=O)NCCCCNc2cccc[nH+]2)c(C)n1-c1ccc(C#N)cc1 ZINC000068422152 878488697 /nfs/dbraw/zinc/48/86/97/878488697.db2.gz SRPFSVPIBUZPSO-UHFFFAOYSA-N 1 2 387.487 3.983 20 30 GHEDLO C#CCCCOc1ccc[nH+]c1N[C@@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000853442804 879020654 /nfs/dbraw/zinc/02/06/54/879020654.db2.gz VVDVACDSHBOKFR-HXUWFJFHSA-N 1 2 377.488 3.519 20 30 GHEDLO C#CCCCOc1ccc[nH+]c1N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC000853621739 879179052 /nfs/dbraw/zinc/17/90/52/879179052.db2.gz GVBGXMOMEZILLX-OAHLLOKOSA-N 1 2 383.414 3.619 20 30 GHEDLO C[NH+](C)Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1 ZINC000789727340 879233918 /nfs/dbraw/zinc/23/39/18/879233918.db2.gz MUVYUFRNAALAKF-UHFFFAOYSA-N 1 2 398.513 3.544 20 30 GHEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cccc(OCc3cccc(C#N)c3)c2)n1 ZINC000789759547 879238682 /nfs/dbraw/zinc/23/86/82/879238682.db2.gz VGLKFVVJOAGPRH-UHFFFAOYSA-N 1 2 384.483 3.989 20 30 GHEDLO C#CCn1ccc(C[N@H+](CC)Cc2cccc(OCc3cccc(C#N)c3)c2)n1 ZINC000789759547 879238701 /nfs/dbraw/zinc/23/87/01/879238701.db2.gz VGLKFVVJOAGPRH-UHFFFAOYSA-N 1 2 384.483 3.989 20 30 GHEDLO CC(C)[NH+]1CCN(c2ccc(C(O)=C(C#N)c3nc4ccccc4[nH]3)cc2)CC1 ZINC000180774536 879315818 /nfs/dbraw/zinc/31/58/18/879315818.db2.gz QXAJJKOUXIBYNY-IBGZPJMESA-N 1 2 387.487 3.583 20 30 GHEDLO CC1(C)C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@H]1c1cccnc1 ZINC000854041752 879470564 /nfs/dbraw/zinc/47/05/64/879470564.db2.gz QBJJWQQUCYHIKB-UTKZUKDTSA-N 1 2 383.455 3.702 20 30 GHEDLO CC1(C)C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@H]1c1cccnc1 ZINC000854041752 879470570 /nfs/dbraw/zinc/47/05/70/879470570.db2.gz QBJJWQQUCYHIKB-UTKZUKDTSA-N 1 2 383.455 3.702 20 30 GHEDLO COCCN(C)c1ccc(C=[NH+]Nc2ccc(F)cc2Br)cn1 ZINC000790154898 879494511 /nfs/dbraw/zinc/49/45/11/879494511.db2.gz YZNHLDQCJZXXNJ-UHFFFAOYSA-N 1 2 381.249 3.512 20 30 GHEDLO COCCN(C)c1ccc(C=[NH+]Nc2ccc(C#N)c(C(F)(F)F)c2)cn1 ZINC000790165102 879502321 /nfs/dbraw/zinc/50/23/21/879502321.db2.gz IOLSFHDLPFIENJ-UHFFFAOYSA-N 1 2 377.370 3.501 20 30 GHEDLO C=CCOc1c(Br)cc(C=NNc2[nH+]ccn2C)cc1OCC ZINC000790300077 879604590 /nfs/dbraw/zinc/60/45/90/879604590.db2.gz PJBZTZVXNUGOAG-UHFFFAOYSA-N 1 2 379.258 3.592 20 30 GHEDLO C=CCn1c(-c2ccco2)nn(C[N@@H+](CCOC)[C@@H]2CC[C@H](C)C2)c1=S ZINC000790480612 879754914 /nfs/dbraw/zinc/75/49/14/879754914.db2.gz STWCLDRTTFOCBO-JKSUJKDBSA-N 1 2 376.526 3.955 20 30 GHEDLO C=CCn1c(-c2ccco2)nn(C[N@H+](CCOC)[C@@H]2CC[C@H](C)C2)c1=S ZINC000790480612 879754928 /nfs/dbraw/zinc/75/49/28/879754928.db2.gz STWCLDRTTFOCBO-JKSUJKDBSA-N 1 2 376.526 3.955 20 30 GHEDLO C=C(C)COc1cc(C[NH+]2CCN([C@@H](C)c3nccs3)CC2)ccc1OC ZINC000185617052 880635816 /nfs/dbraw/zinc/63/58/16/880635816.db2.gz HYKWVEXHGCZSOR-KRWDZBQOSA-N 1 2 387.549 3.985 20 30 GHEDLO CCOc1ccc(C2=CC[N@@H+]([C@H]3CCN(c4sccc4C#N)C3=O)CC2)cc1 ZINC000509490085 881061429 /nfs/dbraw/zinc/06/14/29/881061429.db2.gz UQCOILRJQKODRO-FQEVSTJZSA-N 1 2 393.512 3.913 20 30 GHEDLO CCOc1ccc(C2=CC[N@H+]([C@H]3CCN(c4sccc4C#N)C3=O)CC2)cc1 ZINC000509490085 881061444 /nfs/dbraw/zinc/06/14/44/881061444.db2.gz UQCOILRJQKODRO-FQEVSTJZSA-N 1 2 393.512 3.913 20 30 GHEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H]([NH2+]Cc2ccccc2CC(F)(F)F)C1 ZINC000858591253 883220302 /nfs/dbraw/zinc/22/03/02/883220302.db2.gz OUTGXBJOTJAFOT-CVEARBPZSA-N 1 2 383.414 3.640 20 30 GHEDLO C[C@H]1CCCN(c2cc(N[C@H]3CCCN(c4ccc(C#N)cc4F)C3)[nH+]cn2)C1 ZINC000609463906 883226005 /nfs/dbraw/zinc/22/60/05/883226005.db2.gz XBPRSMXCJAPTHC-WMZOPIPTSA-N 1 2 394.498 3.805 20 30 GHEDLO C[C@H]1CCCN(c2cc(N[C@H]3CCCN(c4ccc(C#N)cc4F)C3)nc[nH+]2)C1 ZINC000609463906 883226021 /nfs/dbraw/zinc/22/60/21/883226021.db2.gz XBPRSMXCJAPTHC-WMZOPIPTSA-N 1 2 394.498 3.805 20 30 GHEDLO N#Cc1cc(Cl)ccc1N1CC[NH+]([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000609564223 883346122 /nfs/dbraw/zinc/34/61/22/883346122.db2.gz XQXICJQEMJLBRB-LJQANCHMSA-N 1 2 376.287 3.721 20 30 GHEDLO N#C[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1Br ZINC000609593049 883400018 /nfs/dbraw/zinc/40/00/18/883400018.db2.gz NOCBPCMUEIJPNW-SFHVURJKSA-N 1 2 395.260 3.689 20 30 GHEDLO C=C(C)[C@H](NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccc(F)c(F)c1 ZINC000185844217 883592697 /nfs/dbraw/zinc/59/26/97/883592697.db2.gz FRPNWADKPGUFTF-YWZLYKJASA-N 1 2 388.462 3.980 20 30 GHEDLO CN(CC1C[NH+](Cc2ccc(C#N)cc2Br)C1)C(=O)OC(C)(C)C ZINC001137633748 883941797 /nfs/dbraw/zinc/94/17/97/883941797.db2.gz AJLCXMDZUBURRT-UHFFFAOYSA-N 1 2 394.313 3.619 20 30 GHEDLO O=C(Nc1cccc(C#Cc2ccccn2)c1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000130134034 884213964 /nfs/dbraw/zinc/21/39/64/884213964.db2.gz OXJYXYRLLQYLHI-QFIPXVFZSA-N 1 2 384.439 3.562 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCCOc3ccccc3Cl)CC2)cc1 ZINC000498586037 884908190 /nfs/dbraw/zinc/90/81/90/884908190.db2.gz ZEUMFJIFONHIHS-UHFFFAOYSA-N 1 2 397.906 3.715 20 30 GHEDLO COC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)c1ccc(C)o1 ZINC000542557504 885705196 /nfs/dbraw/zinc/70/51/96/885705196.db2.gz LVGHSKYTFKMXCF-IBGZPJMESA-N 1 2 398.507 3.909 20 30 GHEDLO C=CCn1c(SCc2cc[nH+]c(N(C)C)c2)nc2sc3c(c2c1=O)CCC3 ZINC000762469574 886249297 /nfs/dbraw/zinc/24/92/97/886249297.db2.gz PKWUSZVFEVOVAF-UHFFFAOYSA-N 1 2 398.557 3.886 20 30 GHEDLO COc1ccc(C(N)=[NH+]OCC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)cc1 ZINC000762691495 886713583 /nfs/dbraw/zinc/71/35/83/886713583.db2.gz MMUQQHGEPDUGMS-OAQYLSRUSA-N 1 2 399.466 3.519 20 30 GHEDLO CC(=NNc1cccc(F)c1Cl)c1ccc(O)c(C[NH+]2CCOCC2)c1 ZINC000863158993 886894911 /nfs/dbraw/zinc/89/49/11/886894911.db2.gz YROWRGLLENFRQV-UHFFFAOYSA-N 1 2 377.847 3.853 20 30 GHEDLO CC(N=Nc1cccc(F)c1Cl)c1ccc(O)c(C[NH+]2CCOCC2)c1 ZINC000863158993 886894921 /nfs/dbraw/zinc/89/49/21/886894921.db2.gz YROWRGLLENFRQV-UHFFFAOYSA-N 1 2 377.847 3.853 20 30 GHEDLO CC(C)[C@@H](C(=O)N(O)Cc1cc(Cl)cc(Cl)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001184235710 913093483 /nfs/dbraw/zinc/09/34/83/913093483.db2.gz NGONIMLFOBQOHK-AHIWAGSCSA-N 1 2 389.323 3.845 20 30 GHEDLO CC(C)[C@@H](C(=O)N(O)Cc1cc(Cl)cc(Cl)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001184235710 913093506 /nfs/dbraw/zinc/09/35/06/913093506.db2.gz NGONIMLFOBQOHK-AHIWAGSCSA-N 1 2 389.323 3.845 20 30 GHEDLO N#CCc1cccc2c1CC[N@@H+](CN1CCN(c3ccc(Cl)cc3)C1=O)C2 ZINC000863336459 887039608 /nfs/dbraw/zinc/03/96/08/887039608.db2.gz QVFKNSCEUINIED-UHFFFAOYSA-N 1 2 380.879 3.664 20 30 GHEDLO N#CCc1cccc2c1CC[N@H+](CN1CCN(c3ccc(Cl)cc3)C1=O)C2 ZINC000863336459 887039625 /nfs/dbraw/zinc/03/96/25/887039625.db2.gz QVFKNSCEUINIED-UHFFFAOYSA-N 1 2 380.879 3.664 20 30 GHEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc3c(C#N)c[nH]c3c2)C[C@H](C)O1 ZINC000864912470 888069350 /nfs/dbraw/zinc/06/93/50/888069350.db2.gz FTIBDOLZJZYVTM-HOTGVXAUSA-N 1 2 388.471 3.901 20 30 GHEDLO COc1cc(N[C@@H]2CCC[N@H+](Cc3c(C#N)cccc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000459376001 888407136 /nfs/dbraw/zinc/40/71/36/888407136.db2.gz ZKJRECDKYHNPCJ-MRXNPFEDSA-N 1 2 396.447 3.560 20 30 GHEDLO COc1cc(N[C@@H]2CCC[N@@H+](Cc3c(C#N)cccc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000459376001 888407143 /nfs/dbraw/zinc/40/71/43/888407143.db2.gz ZKJRECDKYHNPCJ-MRXNPFEDSA-N 1 2 396.447 3.560 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000454820031 889772566 /nfs/dbraw/zinc/77/25/66/889772566.db2.gz QFOIKKJLXDXTBX-ZSOXWFNISA-N 1 2 394.441 3.621 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000454820031 889772573 /nfs/dbraw/zinc/77/25/73/889772573.db2.gz QFOIKKJLXDXTBX-ZSOXWFNISA-N 1 2 394.441 3.621 20 30 GHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)c1C#N ZINC000026329586 890405508 /nfs/dbraw/zinc/40/55/08/890405508.db2.gz WZPZJCVZBCRBSC-UHFFFAOYSA-N 1 2 397.482 3.908 20 30 GHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)c1C#N ZINC000026329586 890405512 /nfs/dbraw/zinc/40/55/12/890405512.db2.gz WZPZJCVZBCRBSC-UHFFFAOYSA-N 1 2 397.482 3.908 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC([C@H](O)c3ccc(OC)cc3)CC2)c1C ZINC000812857592 891005848 /nfs/dbraw/zinc/00/58/48/891005848.db2.gz QWLGBTJTAMEYAP-XMMPIXPASA-N 1 2 396.531 3.928 20 30 GHEDLO C=CCC1(CNC(=O)N2CCC[C@H]([N@H+](C)Cc3noc(C)n3)CC2)CCCC1 ZINC000455483091 891033672 /nfs/dbraw/zinc/03/36/72/891033672.db2.gz UHDSUBGGKDITJT-SFHVURJKSA-N 1 2 389.544 3.510 20 30 GHEDLO C=CCC1(CNC(=O)N2CCC[C@H]([N@@H+](C)Cc3noc(C)n3)CC2)CCCC1 ZINC000455483091 891033678 /nfs/dbraw/zinc/03/36/78/891033678.db2.gz UHDSUBGGKDITJT-SFHVURJKSA-N 1 2 389.544 3.510 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000066955803 891134734 /nfs/dbraw/zinc/13/47/34/891134734.db2.gz XMPHVEPMSQABMQ-OAHLLOKOSA-N 1 2 383.521 3.978 20 30 GHEDLO C#C[C@@H](NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(F)cc1 ZINC000812934093 891141962 /nfs/dbraw/zinc/14/19/62/891141962.db2.gz QTDHDGRBMZSOAP-UXHICEINSA-N 1 2 376.435 3.517 20 30 GHEDLO CC1(C)CCc2onc(C[NH2+]Cc3cn(CCC#N)nc3-c3ccncc3)c2C1 ZINC000873174156 891500676 /nfs/dbraw/zinc/50/06/76/891500676.db2.gz BTYUDOVXURTYTK-UHFFFAOYSA-N 1 2 390.491 3.651 20 30 GHEDLO COc1ccc(CC(N)=[NH+]OCc2ncc(-c3cccc(F)c3)o2)cc1OC ZINC000154523262 892568515 /nfs/dbraw/zinc/56/85/15/892568515.db2.gz MDOILFZSLGPBGS-UHFFFAOYSA-N 1 2 385.395 3.529 20 30 GHEDLO O=C(C[NH+]1CCC2(CC1)CC(=O)C=CO2)Nc1ccc(-c2ccccc2)cc1 ZINC000933650590 893116835 /nfs/dbraw/zinc/11/68/35/893116835.db2.gz SVLWMBNPBBWPBJ-UHFFFAOYSA-N 1 2 376.456 3.630 20 30 GHEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000429767580 893335923 /nfs/dbraw/zinc/33/59/23/893335923.db2.gz OSNAYRFHFHHXAM-UHFFFAOYSA-N 1 2 377.370 3.774 20 30 GHEDLO N#Cc1cnc(Cl)c(C[NH2+][C@@H]2CCOc3ccc(Br)cc32)c1 ZINC000876963021 893408525 /nfs/dbraw/zinc/40/85/25/893408525.db2.gz YCYHINXZMHRGKT-CQSZACIVSA-N 1 2 378.657 3.983 20 30 GHEDLO CC[NH+](CC)Cc1csc(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)n1 ZINC000815095742 893464942 /nfs/dbraw/zinc/46/49/42/893464942.db2.gz YLHOTKBSKKNKFE-UHFFFAOYSA-N 1 2 383.399 3.523 20 30 GHEDLO COc1ccc(Cl)cc1C#CCOC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000815247532 893632755 /nfs/dbraw/zinc/63/27/55/893632755.db2.gz DKTXDSNBKPQYBU-UHFFFAOYSA-N 1 2 394.858 3.731 20 30 GHEDLO N#CCCCOc1cccc(C[NH+]2CCN(C(=O)NC3CCCCC3)CC2)c1 ZINC000129745918 893943720 /nfs/dbraw/zinc/94/37/20/893943720.db2.gz CYVVWBYQMWANJW-UHFFFAOYSA-N 1 2 384.524 3.529 20 30 GHEDLO C=C(C)CS(=O)(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC000563675711 894053784 /nfs/dbraw/zinc/05/37/84/894053784.db2.gz JGHLMZXJPWNYAO-HNNXBMFYSA-N 1 2 398.878 3.761 20 30 GHEDLO C=C(C)CS(=O)(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC000563675711 894053798 /nfs/dbraw/zinc/05/37/98/894053798.db2.gz JGHLMZXJPWNYAO-HNNXBMFYSA-N 1 2 398.878 3.761 20 30 GHEDLO CC(=O)[C@@](C#N)(CCN1CC[NH+]([C@@H](C)c2ccsc2)CC1)c1ccccc1 ZINC000878436713 894289107 /nfs/dbraw/zinc/28/91/07/894289107.db2.gz MOWGIACPIYQKGY-AVRDEDQJSA-N 1 2 381.545 3.867 20 30 GHEDLO N#CC[C@H](CC(=O)OCc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000817187115 895378882 /nfs/dbraw/zinc/37/88/82/895378882.db2.gz JHMUPBACILJPIP-JOCHJYFZSA-N 1 2 378.472 3.650 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3cc(C(C)C)n[nH]3)C2)c(C#N)c1C ZINC000879919896 895402980 /nfs/dbraw/zinc/40/29/80/895402980.db2.gz UJASWJNDHOJTJX-ZBFHGGJFSA-N 1 2 383.496 3.821 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3cc(C(C)C)n[nH]3)C2)c(C#N)c1C ZINC000879919896 895402986 /nfs/dbraw/zinc/40/29/86/895402986.db2.gz UJASWJNDHOJTJX-ZBFHGGJFSA-N 1 2 383.496 3.821 20 30 GHEDLO CC[C@H](Nc1nc(C#N)c(Cl)s1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001185677505 914037043 /nfs/dbraw/zinc/03/70/43/914037043.db2.gz XGWYEYIFSKNHTM-GOEBONIOSA-N 1 2 376.913 3.760 20 30 GHEDLO CC[C@H](Nc1nc(C#N)c(Cl)s1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001185677505 914037062 /nfs/dbraw/zinc/03/70/62/914037062.db2.gz XGWYEYIFSKNHTM-GOEBONIOSA-N 1 2 376.913 3.760 20 30 GHEDLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)Nc2cccc(CC#N)n2)CC1 ZINC000881143297 896195190 /nfs/dbraw/zinc/19/51/90/896195190.db2.gz NZFVYSPYCXNRGX-IBGZPJMESA-N 1 2 381.455 3.588 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)Nc2cccc(CC#N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000881148460 896199563 /nfs/dbraw/zinc/19/95/63/896199563.db2.gz ZIYMHUHEYMPRLG-WMZOPIPTSA-N 1 2 387.846 3.507 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)Nc2cccc(CC#N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000881148460 896199570 /nfs/dbraw/zinc/19/95/70/896199570.db2.gz ZIYMHUHEYMPRLG-WMZOPIPTSA-N 1 2 387.846 3.507 20 30 GHEDLO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1c[nH+]cn1C ZINC000567548061 897240524 /nfs/dbraw/zinc/24/05/24/897240524.db2.gz RBBGRWYRMGWXGD-UHFFFAOYSA-N 1 2 375.432 3.501 20 30 GHEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000805749626 897363893 /nfs/dbraw/zinc/36/38/93/897363893.db2.gz ZOWAHVJAHJHXLD-SFHVURJKSA-N 1 2 375.241 3.553 20 30 GHEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000805749626 897363905 /nfs/dbraw/zinc/36/39/05/897363905.db2.gz ZOWAHVJAHJHXLD-SFHVURJKSA-N 1 2 375.241 3.553 20 30 GHEDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CCCO1 ZINC000568587100 897959898 /nfs/dbraw/zinc/95/98/98/897959898.db2.gz MHDAUTVNTWTLNG-LSDHHAIUSA-N 1 2 375.538 3.717 20 30 GHEDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CCCO1 ZINC000568587100 897959911 /nfs/dbraw/zinc/95/99/11/897959911.db2.gz MHDAUTVNTWTLNG-LSDHHAIUSA-N 1 2 375.538 3.717 20 30 GHEDLO N#Cc1ccccc1COc1cccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000101865771 897975041 /nfs/dbraw/zinc/97/50/41/897975041.db2.gz WKMWGOJFPCNEIB-UHFFFAOYSA-N 1 2 386.455 3.811 20 30 GHEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000114808518 899125050 /nfs/dbraw/zinc/12/50/50/899125050.db2.gz MRAZXTJXKIUYSM-QGZVFWFLSA-N 1 2 377.492 3.793 20 30 GHEDLO N#Cc1ccnc(C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000570179035 899177902 /nfs/dbraw/zinc/17/79/02/899177902.db2.gz HKCBKWCSXMVSEK-UHFFFAOYSA-N 1 2 393.450 3.795 20 30 GHEDLO CC(=[NH+]Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)c1ccc(N)cc1Cl ZINC000823958815 899315283 /nfs/dbraw/zinc/31/52/83/899315283.db2.gz XXGDSQGYTZUFFA-UHFFFAOYSA-N 1 2 395.776 3.957 20 30 GHEDLO N#C[C@H](NC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC001186307367 914458486 /nfs/dbraw/zinc/45/84/86/914458486.db2.gz XTMYFPBRKTYCSJ-ZEQRLZLVSA-N 1 2 381.479 3.995 20 30 GHEDLO N#C[C@H](NC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1)c1ccccc1 ZINC001186307367 914458499 /nfs/dbraw/zinc/45/84/99/914458499.db2.gz XTMYFPBRKTYCSJ-ZEQRLZLVSA-N 1 2 381.479 3.995 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844437580 900858195 /nfs/dbraw/zinc/85/81/95/900858195.db2.gz NXLURBLKJSREQX-KBXCAEBGSA-N 1 2 379.476 3.998 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844437580 900858198 /nfs/dbraw/zinc/85/81/98/900858198.db2.gz NXLURBLKJSREQX-KBXCAEBGSA-N 1 2 379.476 3.998 20 30 GHEDLO Cc1c(N[NH+]=Cc2c(Cl)cccc2N2CC[NH+](C)CC2)cccc1C(=O)[O-] ZINC000844622986 901085390 /nfs/dbraw/zinc/08/53/90/901085390.db2.gz GLAQCJFOOQQQNE-UHFFFAOYSA-N 1 2 386.883 3.544 20 30 GHEDLO CCOC(=O)COc1c(Br)cc(C)cc1C[N@H+](C)CC(C)(C)C#N ZINC000575079106 901110741 /nfs/dbraw/zinc/11/07/41/901110741.db2.gz LWCAWTAGRMDYHH-UHFFFAOYSA-N 1 2 397.313 3.681 20 30 GHEDLO CCOC(=O)COc1c(Br)cc(C)cc1C[N@@H+](C)CC(C)(C)C#N ZINC000575079106 901110749 /nfs/dbraw/zinc/11/07/49/901110749.db2.gz LWCAWTAGRMDYHH-UHFFFAOYSA-N 1 2 397.313 3.681 20 30 GHEDLO Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000600840410 902986957 /nfs/dbraw/zinc/98/69/57/902986957.db2.gz GEFOFKAIOPCRGX-HXUWFJFHSA-N 1 2 390.531 3.710 20 30 GHEDLO Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000600840410 902986961 /nfs/dbraw/zinc/98/69/61/902986961.db2.gz GEFOFKAIOPCRGX-HXUWFJFHSA-N 1 2 390.531 3.710 20 30 GHEDLO N#CC1CCN(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000264296275 903004530 /nfs/dbraw/zinc/00/45/30/903004530.db2.gz VXMQLNUXOVZKAX-QGZVFWFLSA-N 1 2 378.879 3.561 20 30 GHEDLO N#CCC[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccccc1 ZINC000131897930 903177251 /nfs/dbraw/zinc/17/72/51/903177251.db2.gz GBTMITCETFEVPQ-HXUWFJFHSA-N 1 2 377.492 3.916 20 30 GHEDLO CCCCCCC[C@@H](CC)[NH2+][C@@H](Cc1cccc(S(C)(=O)=O)c1)C(=O)OC ZINC001172351878 905519030 /nfs/dbraw/zinc/51/90/30/905519030.db2.gz XNWUICPSOPKUII-QUCCMNQESA-N 1 2 397.581 3.903 20 30 GHEDLO C[C@@H]1CCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C[C@H]1n1cc[nH+]c1 ZINC000177745298 906209476 /nfs/dbraw/zinc/20/94/76/906209476.db2.gz HBHNPKDONDBHBW-CRAIPNDOSA-N 1 2 390.409 3.546 20 30 GHEDLO COC(=O)[C@H](Cc1ccccc1Br)[NH2+]C1CCC(C)(C#N)CC1 ZINC001173593946 906546651 /nfs/dbraw/zinc/54/66/51/906546651.db2.gz YNWCWLYTOYNGMG-HQVVEAJESA-N 1 2 379.298 3.595 20 30 GHEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H]([NH2+]Cc2cccc(-c3ccccn3)c2)C1 ZINC000779413086 906865351 /nfs/dbraw/zinc/86/53/51/906865351.db2.gz RIIRUOBBAIFGAS-QUCCMNQESA-N 1 2 378.476 3.597 20 30 GHEDLO CC1(C)Cc2c(cnn2-c2ccccc2F)C[N@@H+](Cc2cncc(C#N)c2)C1 ZINC001174975925 907298325 /nfs/dbraw/zinc/29/83/25/907298325.db2.gz QAHAYOWOYYCEIB-UHFFFAOYSA-N 1 2 375.451 3.863 20 30 GHEDLO CC1(C)Cc2c(cnn2-c2ccccc2F)C[N@H+](Cc2cncc(C#N)c2)C1 ZINC001174975925 907298337 /nfs/dbraw/zinc/29/83/37/907298337.db2.gz QAHAYOWOYYCEIB-UHFFFAOYSA-N 1 2 375.451 3.863 20 30 GHEDLO CCc1nc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)cs1 ZINC000184715399 907644688 /nfs/dbraw/zinc/64/46/88/907644688.db2.gz RLWUEQWXZNXNCN-ZDUSSCGKSA-N 1 2 376.913 3.956 20 30 GHEDLO N#Cc1cc(C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)ccn1 ZINC000193157912 908115284 /nfs/dbraw/zinc/11/52/84/908115284.db2.gz SRHUXPRLQZTJJC-UHFFFAOYSA-N 1 2 393.450 3.795 20 30 GHEDLO C[N@@H+]1CCO[C@@H](C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)C1 ZINC001180756085 910331108 /nfs/dbraw/zinc/33/11/08/910331108.db2.gz VARYQXNAWBPUHU-LJQANCHMSA-N 1 2 387.439 3.754 20 30 GHEDLO C[N@H+]1CCO[C@@H](C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)C1 ZINC001180756085 910331121 /nfs/dbraw/zinc/33/11/21/910331121.db2.gz VARYQXNAWBPUHU-LJQANCHMSA-N 1 2 387.439 3.754 20 30 GHEDLO C=CC[NH+]1CCN(C(=O)C[C@@]2(CC)OCCc3c4cccc(CC)c4[nH]c32)CC1 ZINC001180823719 910363565 /nfs/dbraw/zinc/36/35/65/910363565.db2.gz KPYNRBAKXABBJC-XMMPIXPASA-N 1 2 395.547 3.629 20 30 GHEDLO N#C[C@H](Cc1ccc(F)cc1F)OC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000774310820 911639629 /nfs/dbraw/zinc/63/96/29/911639629.db2.gz LHVIXPQTELWOMT-PZJWPPBQSA-N 1 2 384.426 3.997 20 30 GHEDLO N#C[C@H](Cc1ccc(F)cc1F)OC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000774310820 911639637 /nfs/dbraw/zinc/63/96/37/911639637.db2.gz LHVIXPQTELWOMT-PZJWPPBQSA-N 1 2 384.426 3.997 20 30 GHEDLO N#Cc1c(N)sc(C[N@@H+]2CCC[C@@]23CCN(CC2CCCC2)C3=O)c1Cl ZINC001275016102 912152621 /nfs/dbraw/zinc/15/26/21/912152621.db2.gz RFOWILCOMRCICG-IBGZPJMESA-N 1 2 392.956 3.612 20 30 GHEDLO N#Cc1c(N)sc(C[N@H+]2CCC[C@@]23CCN(CC2CCCC2)C3=O)c1Cl ZINC001275016102 912152632 /nfs/dbraw/zinc/15/26/32/912152632.db2.gz RFOWILCOMRCICG-IBGZPJMESA-N 1 2 392.956 3.612 20 30 GHEDLO N#CCCCN1CC2(CCC1=O)CC[NH+](Cc1c(Cl)ccnc1Cl)CC2 ZINC001275597805 915200817 /nfs/dbraw/zinc/20/08/17/915200817.db2.gz JARSIVSKHDBXKM-UHFFFAOYSA-N 1 2 395.334 3.897 20 30 GHEDLO N#Cc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C[NH+]2CCCC2)c1 ZINC001190971790 917674087 /nfs/dbraw/zinc/67/40/87/917674087.db2.gz UMCGBWWJOCKHCM-UHFFFAOYSA-N 1 2 375.881 3.608 20 30 GHEDLO CCCCN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(C#N)cc2Br)C1=O ZINC001275979539 920648243 /nfs/dbraw/zinc/64/82/43/920648243.db2.gz IUNVCKXQHVPYKX-IBGZPJMESA-N 1 2 390.325 3.688 20 30 GHEDLO CCCCN1CC[C@@]2(CCC[N@H+]2Cc2ccc(C#N)cc2Br)C1=O ZINC001275979539 920648254 /nfs/dbraw/zinc/64/82/54/920648254.db2.gz IUNVCKXQHVPYKX-IBGZPJMESA-N 1 2 390.325 3.688 20 30 GHEDLO N#CCCCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(Br)s1 ZINC001275985556 920764631 /nfs/dbraw/zinc/76/46/31/920764631.db2.gz BJNGZIUOHHOAOF-QGZVFWFLSA-N 1 2 396.354 3.771 20 30 GHEDLO N#CCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(Br)s1 ZINC001275985556 920764638 /nfs/dbraw/zinc/76/46/38/920764638.db2.gz BJNGZIUOHHOAOF-QGZVFWFLSA-N 1 2 396.354 3.771 20 30 GHEDLO O=C(NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)C(F)C(F)(F)F ZINC000368125814 922491167 /nfs/dbraw/zinc/49/11/67/922491167.db2.gz NNLUXSFTXHTYNZ-CYBMUJFWSA-N 1 2 386.311 3.686 20 30 GHEDLO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000903263570 922889735 /nfs/dbraw/zinc/88/97/35/922889735.db2.gz OBJXTPIXVCJBSF-CYBMUJFWSA-N 1 2 375.519 3.582 20 30 GHEDLO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000903263572 922890569 /nfs/dbraw/zinc/89/05/69/922890569.db2.gz OBJXTPIXVCJBSF-ZDUSSCGKSA-N 1 2 375.519 3.582 20 30 GHEDLO C[C@@H]1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)C[C@@H]1n1cc[nH+]c1 ZINC000368942856 922993795 /nfs/dbraw/zinc/99/37/95/922993795.db2.gz ZPJAPQXIVZMLKA-UTKZUKDTSA-N 1 2 375.476 3.865 20 30 GHEDLO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000369752909 923600151 /nfs/dbraw/zinc/60/01/51/923600151.db2.gz LINODZSTQDXMNK-XZOQPEGZSA-N 1 2 399.498 3.913 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)NCC#Cc2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000677248435 924300128 /nfs/dbraw/zinc/30/01/28/924300128.db2.gz WOHLPJLSFDRKKP-WOJBJXKFSA-N 1 2 385.870 3.575 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)NCC#Cc2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000677248435 924300134 /nfs/dbraw/zinc/30/01/34/924300134.db2.gz WOHLPJLSFDRKKP-WOJBJXKFSA-N 1 2 385.870 3.575 20 30 GHEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2cnc3ccccc3c2)CC1 ZINC000410423248 925631279 /nfs/dbraw/zinc/63/12/79/925631279.db2.gz XRUMMECOBGGYIP-UHFFFAOYSA-N 1 2 385.427 3.677 20 30 GHEDLO CCC[N@H+](Cc1ccccc1Br)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000411202682 926202566 /nfs/dbraw/zinc/20/25/66/926202566.db2.gz OVLQNNBAFONHBA-CQSZACIVSA-N 1 2 378.314 3.612 20 30 GHEDLO CCC[N@@H+](Cc1ccccc1Br)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000411202682 926202573 /nfs/dbraw/zinc/20/25/73/926202573.db2.gz OVLQNNBAFONHBA-CQSZACIVSA-N 1 2 378.314 3.612 20 30 GHEDLO Cc1ccc2ncc(C[NH+]3CCN(c4oc(-c5ccco5)nc4C#N)CC3)cc2c1 ZINC000411332713 926314853 /nfs/dbraw/zinc/31/48/53/926314853.db2.gz ZEGLWPWZZPNKGV-UHFFFAOYSA-N 1 2 399.454 3.985 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)c1 ZINC000411994151 926985939 /nfs/dbraw/zinc/98/59/39/926985939.db2.gz ZCLXMTLYOYXEFX-FQEVSTJZSA-N 1 2 397.272 3.931 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)c1 ZINC000411994151 926985941 /nfs/dbraw/zinc/98/59/41/926985941.db2.gz ZCLXMTLYOYXEFX-FQEVSTJZSA-N 1 2 397.272 3.931 20 30 GHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000412079355 927080283 /nfs/dbraw/zinc/08/02/83/927080283.db2.gz UYLMAQIDWSTYHP-UZLBHIALSA-N 1 2 386.492 3.606 20 30 GHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000412079355 927080294 /nfs/dbraw/zinc/08/02/94/927080294.db2.gz UYLMAQIDWSTYHP-UZLBHIALSA-N 1 2 386.492 3.606 20 30 GHEDLO C=CCOc1ccc(-c2nn(C[N@@H+]3CC[C@H]([C@@H]4CCOC4)C3)c(=S)o2)cc1 ZINC000749799633 927279389 /nfs/dbraw/zinc/27/93/89/927279389.db2.gz YKKMUVINYQDZMI-DLBZAZTESA-N 1 2 387.505 3.753 20 30 GHEDLO C=CCOc1ccc(-c2nn(C[N@H+]3CC[C@H]([C@@H]4CCOC4)C3)c(=S)o2)cc1 ZINC000749799633 927279406 /nfs/dbraw/zinc/27/94/06/927279406.db2.gz YKKMUVINYQDZMI-DLBZAZTESA-N 1 2 387.505 3.753 20 30 GHEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000374806910 927544047 /nfs/dbraw/zinc/54/40/47/927544047.db2.gz NWTONLYDFISJSS-KRWDZBQOSA-N 1 2 395.482 3.929 20 30 GHEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000374806910 927544089 /nfs/dbraw/zinc/54/40/89/927544089.db2.gz NWTONLYDFISJSS-KRWDZBQOSA-N 1 2 395.482 3.929 20 30 GHEDLO C#CCC[NH+]1CCN(C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000750729578 927818085 /nfs/dbraw/zinc/81/80/85/927818085.db2.gz AJSOBCWTKSCHGC-UHFFFAOYSA-N 1 2 393.434 3.610 20 30 GHEDLO NC(=[NH+]OCc1nc(-c2ccc(C(F)(F)F)cc2)no1)c1ccc(F)cc1 ZINC000751258685 928097024 /nfs/dbraw/zinc/09/70/24/928097024.db2.gz BNNCIIKGQKVTNI-UHFFFAOYSA-N 1 2 380.301 3.732 20 30 GHEDLO C=CCn1c([C@@H]2COc3ccccc3O2)nn(C[N@H+]2C[C@H](C)[C@H](C)C2)c1=S ZINC000751929643 928484750 /nfs/dbraw/zinc/48/47/50/928484750.db2.gz QUEMFBOTNMYAJP-DAYGRLMNSA-N 1 2 386.521 3.658 20 30 GHEDLO C=CCn1c([C@@H]2COc3ccccc3O2)nn(C[N@@H+]2C[C@H](C)[C@H](C)C2)c1=S ZINC000751929643 928484757 /nfs/dbraw/zinc/48/47/57/928484757.db2.gz QUEMFBOTNMYAJP-DAYGRLMNSA-N 1 2 386.521 3.658 20 30 GHEDLO N#CCSCCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cccnc1 ZINC000467130263 928734511 /nfs/dbraw/zinc/73/45/11/928734511.db2.gz FYATXGGXKRQBFL-UHFFFAOYSA-N 1 2 388.924 3.823 20 30 GHEDLO N#CCSCCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1cccnc1 ZINC000467130263 928734520 /nfs/dbraw/zinc/73/45/20/928734520.db2.gz FYATXGGXKRQBFL-UHFFFAOYSA-N 1 2 388.924 3.823 20 30 GHEDLO Cc1cc(Br)cn2cc(CCNc3nc4ccccn4c3C#N)[nH+]c12 ZINC000544702259 929467105 /nfs/dbraw/zinc/46/71/05/929467105.db2.gz RBROWNSQPKPAFY-UHFFFAOYSA-N 1 2 395.264 3.579 20 30 GHEDLO CCCC[C@@H](ON=C(C)C)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000758053119 929904136 /nfs/dbraw/zinc/90/41/36/929904136.db2.gz SEVKUNKJEBBPES-FXAWDEMLSA-N 1 2 375.513 3.990 20 30 GHEDLO CC(C)(C)OC(=O)C1([NH2+]CCC(=O)Nc2sccc2C#N)CCCCC1 ZINC000759248505 930319806 /nfs/dbraw/zinc/31/98/06/930319806.db2.gz CFKUEHPBMQTAOZ-UHFFFAOYSA-N 1 2 377.510 3.583 20 30 GHEDLO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000783484897 931559794 /nfs/dbraw/zinc/55/97/94/931559794.db2.gz DTPLNQZFAQZARH-UHFFFAOYSA-N 1 2 391.475 3.780 20 30 GHEDLO O=C(/C=C\c1cc(-n2cc[nH+]c2)cs1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000783708167 931624539 /nfs/dbraw/zinc/62/45/39/931624539.db2.gz VHWUKNQWQLVJIH-UTCJRWHESA-N 1 2 394.424 3.826 20 30 GHEDLO CC(C)(C)OC(=O)c1ccccc1C1CC[NH+](Cn2cccc(C#N)c2=O)CC1 ZINC000783980639 931740051 /nfs/dbraw/zinc/74/00/51/931740051.db2.gz YPZQOGJIONBZJH-UHFFFAOYSA-N 1 2 393.487 3.512 20 30 GHEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H]([NH2+]Cc2cccc(-c3cccnc3)c2)C1 ZINC000798275280 932588861 /nfs/dbraw/zinc/58/88/61/932588861.db2.gz PLGXWPAJNBKFSQ-UXHICEINSA-N 1 2 378.476 3.597 20 30 GHEDLO N#CCc1ccc(S(=O)(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc1 ZINC001116198301 933400257 /nfs/dbraw/zinc/40/02/57/933400257.db2.gz PLFZVXICBFRQRC-UHFFFAOYSA-N 1 2 392.484 3.753 20 30 GHEDLO N#Cc1ccc(-c2nnc(-c3cccc(NC(=O)CCn4cc[nH+]c4)c3)o2)cc1 ZINC001117242918 933905974 /nfs/dbraw/zinc/90/59/74/933905974.db2.gz LSLVMKWTVUQSOH-UHFFFAOYSA-N 1 2 384.399 3.501 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC(OCc2ccccc2)CC1 ZINC001121509569 934678441 /nfs/dbraw/zinc/67/84/41/934678441.db2.gz LONGUCOMFWRHFT-NRFANRHFSA-N 1 2 395.551 3.807 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC(OCc2ccccc2)CC1 ZINC001121509569 934678446 /nfs/dbraw/zinc/67/84/46/934678446.db2.gz LONGUCOMFWRHFT-NRFANRHFSA-N 1 2 395.551 3.807 20 30 GHEDLO C=CCn1c([C@H]2CCC(F)(F)C2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001121594015 934710078 /nfs/dbraw/zinc/71/00/78/934710078.db2.gz LEZCNHXQDISHRE-HNNXBMFYSA-N 1 2 388.466 3.843 20 30 GHEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(Cc1ccco1)Cc1ccco1 ZINC001122400436 934862322 /nfs/dbraw/zinc/86/23/22/934862322.db2.gz PPIKPKKARVKHDN-UHFFFAOYSA-N 1 2 392.463 3.571 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC[C@H]1[C@H]1CCCO1 ZINC001122444370 934871469 /nfs/dbraw/zinc/87/14/69/934871469.db2.gz ACHGUVBTIDNIDZ-XUVXKRRUSA-N 1 2 398.555 3.834 20 30 GHEDLO C=C(C)CN(C)c1nnc([C@H](C)[N@H+](C)Cc2ccccc2)n1Cc1cc(C)on1 ZINC001123796791 935289560 /nfs/dbraw/zinc/28/95/60/935289560.db2.gz GVBBENZYTYSCBM-SFHVURJKSA-N 1 2 394.523 3.828 20 30 GHEDLO C=C(C)CN(C)c1nnc([C@H](C)[N@@H+](C)Cc2ccccc2)n1Cc1cc(C)on1 ZINC001123796791 935289567 /nfs/dbraw/zinc/28/95/67/935289567.db2.gz GVBBENZYTYSCBM-SFHVURJKSA-N 1 2 394.523 3.828 20 30 GHEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3cccc(F)c3Br)C2)CC1 ZINC001137717244 935744234 /nfs/dbraw/zinc/74/42/34/935744234.db2.gz RAIJJESIRGNIPO-UHFFFAOYSA-N 1 2 397.288 3.809 20 30 GHEDLO C=CCOc1cccc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 ZINC000508615541 1014542484 /nfs/dbraw/zinc/54/24/84/1014542484.db2.gz OSIRHBVHCICNNG-UHFFFAOYSA-N 1 2 390.443 3.693 20 30 GHEDLO C[C@@]12C[NH+]([C@@H](C(=O)[O-])c3ccc(C#N)cc3)C[C@]1(C)C[N@@H+](Cc1ccccc1)C2 ZINC001594088963 998027434 /nfs/dbraw/zinc/02/74/34/998027434.db2.gz UNNXUOMDXLXDMK-JRFVFWCSSA-N 1 2 389.499 3.528 20 30 GHEDLO C[C@@]12C[NH+]([C@@H](C(=O)[O-])c3ccc(C#N)cc3)C[C@]1(C)C[N@H+](Cc1ccccc1)C2 ZINC001594088963 998027447 /nfs/dbraw/zinc/02/74/47/998027447.db2.gz UNNXUOMDXLXDMK-JRFVFWCSSA-N 1 2 389.499 3.528 20 30 GHEDLO C[C@]12C[NH+](Cc3ccccc3)C[C@@]1(C)C[N@@H+]([C@@H](C(=O)[O-])c1ccc(C#N)cc1)C2 ZINC001594088963 998027456 /nfs/dbraw/zinc/02/74/56/998027456.db2.gz UNNXUOMDXLXDMK-JRFVFWCSSA-N 1 2 389.499 3.528 20 30 GHEDLO C[C@]12C[NH+](Cc3ccccc3)C[C@@]1(C)C[N@H+]([C@@H](C(=O)[O-])c1ccc(C#N)cc1)C2 ZINC001594088963 998027470 /nfs/dbraw/zinc/02/74/70/998027470.db2.gz UNNXUOMDXLXDMK-JRFVFWCSSA-N 1 2 389.499 3.528 20 30 GHEDLO C=CCn1ncc2ccc(NC(=O)N3CC[NH+]([C@H](C)c4cccnc4)CC3)cc21 ZINC000933068664 1018828026 /nfs/dbraw/zinc/82/80/26/1018828026.db2.gz GIFGIIGBDFNBGM-QGZVFWFLSA-N 1 2 390.491 3.528 20 30 GHEDLO Cn1c2ccccc2nc1C(C#N)=C(O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000568612503 1019427988 /nfs/dbraw/zinc/42/79/88/1019427988.db2.gz OQNQSVLHHSECPA-SFHVURJKSA-N 1 2 390.512 3.612 20 30 GHEDLO C=CCOC[C@H]1C[N@H+](Cc2cccc3ccncc32)Cc2nnn(CC3CC3)c21 ZINC001140642502 1022137243 /nfs/dbraw/zinc/13/72/43/1022137243.db2.gz CEBNWFWFGYENAC-HXUWFJFHSA-N 1 2 389.503 3.538 20 30 GHEDLO C=CCOC[C@H]1C[N@@H+](Cc2cccc3ccncc32)Cc2nnn(CC3CC3)c21 ZINC001140642502 1022137253 /nfs/dbraw/zinc/13/72/53/1022137253.db2.gz CEBNWFWFGYENAC-HXUWFJFHSA-N 1 2 389.503 3.538 20 30 GHEDLO N#Cc1cccc(C[N@H+]2Cc3cncn3C[C@H](COc3ccccn3)C2)c1Cl ZINC001140811392 1022600817 /nfs/dbraw/zinc/60/08/17/1022600817.db2.gz RONKCECYYNHFJY-MRXNPFEDSA-N 1 2 393.878 3.514 20 30 GHEDLO N#Cc1cccc(C[N@@H+]2Cc3cncn3C[C@H](COc3ccccn3)C2)c1Cl ZINC001140811392 1022600823 /nfs/dbraw/zinc/60/08/23/1022600823.db2.gz RONKCECYYNHFJY-MRXNPFEDSA-N 1 2 393.878 3.514 20 30 GHEDLO CC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccc(C(F)(F)F)cc1 ZINC000754349619 1022635936 /nfs/dbraw/zinc/63/59/36/1022635936.db2.gz NVVGRQUCKKWHFK-UHFFFAOYSA-N 1 2 396.434 3.873 20 30 GHEDLO CC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccc(C(F)(F)F)cc1 ZINC000754349619 1022635943 /nfs/dbraw/zinc/63/59/43/1022635943.db2.gz NVVGRQUCKKWHFK-UHFFFAOYSA-N 1 2 396.434 3.873 20 30 GHEDLO Cc1cnc(C(C)(C)[NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)s1 ZINC000754701732 1022842747 /nfs/dbraw/zinc/84/27/47/1022842747.db2.gz PVHGROJDYQIYSE-CQSZACIVSA-N 1 2 377.473 3.514 20 30 GHEDLO CC(C)C[C@H](C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1)n1cc[nH+]c1 ZINC001156561953 1033104159 /nfs/dbraw/zinc/10/41/59/1033104159.db2.gz PDZPBODUBJMFLJ-UXHICEINSA-N 1 2 399.926 3.533 20 30 GHEDLO CSc1nc(Cl)cc(N2CCC[N@H+](Cc3ccc(F)cc3C#N)CC2)n1 ZINC001141167518 1023999783 /nfs/dbraw/zinc/99/97/83/1023999783.db2.gz NKVIUDPKKVGXDT-UHFFFAOYSA-N 1 2 391.903 3.575 20 30 GHEDLO CSc1nc(Cl)cc(N2CCC[N@@H+](Cc3ccc(F)cc3C#N)CC2)n1 ZINC001141167518 1023999785 /nfs/dbraw/zinc/99/97/85/1023999785.db2.gz NKVIUDPKKVGXDT-UHFFFAOYSA-N 1 2 391.903 3.575 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc2c(c1)CCC(C)(C)O2 ZINC001141183712 1024031363 /nfs/dbraw/zinc/03/13/63/1024031363.db2.gz RMNZJVCTTZBZKF-HXUWFJFHSA-N 1 2 381.520 3.826 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc2c(c1)CCC(C)(C)O2 ZINC001141183712 1024031389 /nfs/dbraw/zinc/03/13/89/1024031389.db2.gz RMNZJVCTTZBZKF-HXUWFJFHSA-N 1 2 381.520 3.826 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)ccc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000831193647 1024414509 /nfs/dbraw/zinc/41/45/09/1024414509.db2.gz PHJZNZLCQYGUNU-MSOLQXFVSA-N 1 2 375.806 3.665 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)ccc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000831193647 1024414518 /nfs/dbraw/zinc/41/45/18/1024414518.db2.gz PHJZNZLCQYGUNU-MSOLQXFVSA-N 1 2 375.806 3.665 20 30 GHEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1Cc1c2ccccc2[nH]c1C(C)(C)C ZINC001138310121 1024616087 /nfs/dbraw/zinc/61/60/87/1024616087.db2.gz CGYHWFRLIOLNKK-FQEVSTJZSA-N 1 2 393.535 3.896 20 30 GHEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1Cc1c2ccccc2[nH]c1C(C)(C)C ZINC001138310121 1024616097 /nfs/dbraw/zinc/61/60/97/1024616097.db2.gz CGYHWFRLIOLNKK-FQEVSTJZSA-N 1 2 393.535 3.896 20 30 GHEDLO C#CCOc1ccc(C[N@@H+]2Cc3ncn(C)c3[C@@H](COCC3CCCC3)C2)cc1 ZINC001138559742 1025021793 /nfs/dbraw/zinc/02/17/93/1025021793.db2.gz RADUPSOLPSTKRJ-OAQYLSRUSA-N 1 2 393.531 3.738 20 30 GHEDLO C#CCOc1ccc(C[N@H+]2Cc3ncn(C)c3[C@@H](COCC3CCCC3)C2)cc1 ZINC001138559742 1025021801 /nfs/dbraw/zinc/02/18/01/1025021801.db2.gz RADUPSOLPSTKRJ-OAQYLSRUSA-N 1 2 393.531 3.738 20 30 GHEDLO C#C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(Br)cc1 ZINC001141461391 1025121620 /nfs/dbraw/zinc/12/16/20/1025121620.db2.gz UWEOKQYEEMMKNI-SFHVURJKSA-N 1 2 380.245 3.739 20 30 GHEDLO C=CCOCc1ncn2c1C[N@H+](Cc1cccn1-c1ccccc1F)CCC2 ZINC001138632120 1025135945 /nfs/dbraw/zinc/13/59/45/1025135945.db2.gz MHVSWOXJIZOQCD-UHFFFAOYSA-N 1 2 380.467 3.921 20 30 GHEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1cccn1-c1ccccc1F)CCC2 ZINC001138632120 1025135950 /nfs/dbraw/zinc/13/59/50/1025135950.db2.gz MHVSWOXJIZOQCD-UHFFFAOYSA-N 1 2 380.467 3.921 20 30 GHEDLO N#Cc1cnc2c(F)c(F)c(F)cc2c1NCCn1c[nH+]cc1-c1ccccc1 ZINC001163831706 1026331783 /nfs/dbraw/zinc/33/17/83/1026331783.db2.gz TYLAMDJHVSLPEL-UHFFFAOYSA-N 1 2 393.372 3.921 20 30 GHEDLO N#Cc1c(Cl)nccc1C(F)(F)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001163845693 1026337451 /nfs/dbraw/zinc/33/74/51/1026337451.db2.gz NACXNUJBLYDPFK-QPJJXVBHSA-N 1 2 388.849 3.987 20 30 GHEDLO COC(=O)C1(C#N)CC[NH+](Cc2cn(C(=O)OC(C)(C)C)c3ccccc23)CC1 ZINC001139525955 1026383110 /nfs/dbraw/zinc/38/31/10/1026383110.db2.gz PEQYBUACLZGGEF-UHFFFAOYSA-N 1 2 397.475 3.703 20 30 GHEDLO N#Cc1cccc(N2CCOC[C@@]3(CCCN(c4[nH+]ccc5ccccc54)C3)C2)n1 ZINC001165520263 1026752386 /nfs/dbraw/zinc/75/23/86/1026752386.db2.gz ZRPJDEFIISMQLV-DEOSSOPVSA-N 1 2 399.498 3.625 20 30 GHEDLO N#Cc1cc(Cl)c(Cl)nc1N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001165691463 1026798556 /nfs/dbraw/zinc/79/85/56/1026798556.db2.gz KFNLRPQGFCGTAP-CYBMUJFWSA-N 1 2 392.290 3.520 20 30 GHEDLO C=CCn1c(=S)n(C[N@@H+]2CCCc3ccccc3CC2)nc1-c1cnccn1 ZINC000840135000 1027263407 /nfs/dbraw/zinc/26/34/07/1027263407.db2.gz WSOPOTWSXHAPQQ-UHFFFAOYSA-N 1 2 392.532 3.505 20 30 GHEDLO C=CCn1c(=S)n(C[N@H+]2CCCc3ccccc3CC2)nc1-c1cnccn1 ZINC000840135000 1027263417 /nfs/dbraw/zinc/26/34/17/1027263417.db2.gz WSOPOTWSXHAPQQ-UHFFFAOYSA-N 1 2 392.532 3.505 20 30 GHEDLO N#Cc1cc(N)c(Nc2ccccc2C[NH+]2CCOCC2)cc1C(F)(F)F ZINC001209933561 1027284270 /nfs/dbraw/zinc/28/42/70/1027284270.db2.gz RRAJDJSNJLUDGV-UHFFFAOYSA-N 1 2 376.382 3.735 20 30 GHEDLO C[C@H]1C[N@H+](Cc2ccc(Br)cc2C#N)CCC[C@@]1(O)C(F)(F)F ZINC001141807281 1027335026 /nfs/dbraw/zinc/33/50/26/1027335026.db2.gz BKDUYGCTPCPENW-NHYWBVRUSA-N 1 2 391.231 3.846 20 30 GHEDLO C[C@H]1C[N@@H+](Cc2ccc(Br)cc2C#N)CCC[C@@]1(O)C(F)(F)F ZINC001141807281 1027335046 /nfs/dbraw/zinc/33/50/46/1027335046.db2.gz BKDUYGCTPCPENW-NHYWBVRUSA-N 1 2 391.231 3.846 20 30 GHEDLO COC(=O)c1cnc(C[N@H+](Cc2cccc(C#N)c2)[C@H](C)c2ccccc2)cn1 ZINC001141832543 1027386915 /nfs/dbraw/zinc/38/69/15/1027386915.db2.gz AYBDAIXNUBXKPM-QGZVFWFLSA-N 1 2 386.455 3.898 20 30 GHEDLO COC(=O)c1cnc(C[N@@H+](Cc2cccc(C#N)c2)[C@H](C)c2ccccc2)cn1 ZINC001141832543 1027386934 /nfs/dbraw/zinc/38/69/34/1027386934.db2.gz AYBDAIXNUBXKPM-QGZVFWFLSA-N 1 2 386.455 3.898 20 30 GHEDLO CCOC(=O)Cc1c(C#N)c(Nc2cc(C)c[nH+]c2C)sc1C(=O)OCC ZINC001203656024 1027511864 /nfs/dbraw/zinc/51/18/64/1027511864.db2.gz HTXLPZXJRMVOFJ-UHFFFAOYSA-N 1 2 387.461 3.658 20 30 GHEDLO N#Cc1ccc(Br)cc1C[NH+]1CCC2(CC1)OC(=O)c1ccccc12 ZINC001141903238 1027627387 /nfs/dbraw/zinc/62/73/87/1027627387.db2.gz WUTYBRPHYRQMNY-UHFFFAOYSA-N 1 2 397.272 3.982 20 30 GHEDLO N#Cc1ccc2c(C[NH+]3CCN(C(=O)c4ccccc4Cl)CC3)c[nH]c2c1 ZINC001142921355 1029696831 /nfs/dbraw/zinc/69/68/31/1029696831.db2.gz KLVPXCJDQPBTKZ-UHFFFAOYSA-N 1 2 378.863 3.651 20 30 GHEDLO C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143164220 1029876096 /nfs/dbraw/zinc/87/60/96/1029876096.db2.gz BRDLJEYTMHQXNQ-KBPBESRZSA-N 1 2 379.451 3.962 20 30 GHEDLO C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143164220 1029876104 /nfs/dbraw/zinc/87/61/04/1029876104.db2.gz BRDLJEYTMHQXNQ-KBPBESRZSA-N 1 2 379.451 3.962 20 30 GHEDLO COc1ccc(F)c(C(F)(F)F)c1C[N@@H+]1CC[C@](O)(C(F)(F)F)[C@H](C)C1 ZINC001143297825 1030000935 /nfs/dbraw/zinc/00/09/35/1030000935.db2.gz BUVHCPOXBDQFOM-YMTOWFKASA-N 1 2 389.311 3.988 20 30 GHEDLO COc1ccc(F)c(C(F)(F)F)c1C[N@H+]1CC[C@](O)(C(F)(F)F)[C@H](C)C1 ZINC001143297825 1030000960 /nfs/dbraw/zinc/00/09/60/1030000960.db2.gz BUVHCPOXBDQFOM-YMTOWFKASA-N 1 2 389.311 3.988 20 30 GHEDLO C=CCc1ccc(O)c(-c2cc(CC=C)ccc2O[C@H]2C[NH2+][C@H](C(=O)OC)C2)c1 ZINC001218173807 1030808284 /nfs/dbraw/zinc/80/82/84/1030808284.db2.gz GKPLLMJNMUUREH-NQIIRXRSSA-N 1 2 393.483 3.799 20 30 GHEDLO COc1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)c(Br)c1 ZINC001225954426 1031713967 /nfs/dbraw/zinc/71/39/67/1031713967.db2.gz BWHGEDASXAMUFN-QGZVFWFLSA-N 1 2 387.277 3.983 20 30 GHEDLO COc1ccc(O[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c(Br)c1 ZINC001225954426 1031713985 /nfs/dbraw/zinc/71/39/85/1031713985.db2.gz BWHGEDASXAMUFN-QGZVFWFLSA-N 1 2 387.277 3.983 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2c(Cl)cc(OC)cc2OC)C1=O ZINC001277135144 1031994813 /nfs/dbraw/zinc/99/48/13/1031994813.db2.gz DXDHBXAHZKMEQA-FQEVSTJZSA-N 1 2 378.900 3.500 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2c(Cl)cc(OC)cc2OC)C1=O ZINC001277135144 1031994817 /nfs/dbraw/zinc/99/48/17/1031994817.db2.gz DXDHBXAHZKMEQA-FQEVSTJZSA-N 1 2 378.900 3.500 20 30 GHEDLO CN(C)c1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)c(C(F)(F)F)c1 ZINC001205202679 1033302694 /nfs/dbraw/zinc/30/26/94/1033302694.db2.gz ZNKKGENAVYJMSH-UHFFFAOYSA-N 1 2 388.437 3.965 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCCc4c(F)cccc43)CC2)cc1 ZINC001229311988 1033411065 /nfs/dbraw/zinc/41/10/65/1033411065.db2.gz UKKLPTNVAABIGG-JOCHJYFZSA-N 1 2 392.478 3.602 20 30 GHEDLO COc1cc(O[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)c2c(c1)oc(C)cc2=O ZINC001229461054 1033495786 /nfs/dbraw/zinc/49/57/86/1033495786.db2.gz HYWIXEVPIFISEU-SFHVURJKSA-N 1 2 390.439 3.635 20 30 GHEDLO COc1cc(O[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c2c(c1)oc(C)cc2=O ZINC001229461054 1033495794 /nfs/dbraw/zinc/49/57/94/1033495794.db2.gz HYWIXEVPIFISEU-SFHVURJKSA-N 1 2 390.439 3.635 20 30 GHEDLO Cc1cc(NC(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)c(C#N)cc1N(C)C ZINC001205941864 1033647569 /nfs/dbraw/zinc/64/75/69/1033647569.db2.gz GMVKQPABZVMEDW-HXUWFJFHSA-N 1 2 388.475 3.692 20 30 GHEDLO CC[C@@H](C#Cc1ccccc1)Oc1nc(=O)[nH]c(CN2CCCC2=[NH2+])c1Cl ZINC001230094059 1033895607 /nfs/dbraw/zinc/89/56/07/1033895607.db2.gz YHXMDNTVCZVJLP-HNNXBMFYSA-N 1 2 384.867 3.618 20 30 GHEDLO Cc1ccc([C@H](C#N)c2ccc(N3CC[C@H]([NH+]4CCCC4)C(F)(F)C3)nn2)cc1 ZINC001158625954 1034207807 /nfs/dbraw/zinc/20/78/07/1034207807.db2.gz XFHKIWSXZYBTGP-ICSRJNTNSA-N 1 2 397.473 3.750 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1CCc1cccc(Br)c1 ZINC001207505804 1034410974 /nfs/dbraw/zinc/41/09/74/1034410974.db2.gz YLZZPXWBYDGGJG-GOSISDBHSA-N 1 2 390.325 3.527 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1CCc1cccc(Br)c1 ZINC001207505804 1034410983 /nfs/dbraw/zinc/41/09/83/1034410983.db2.gz YLZZPXWBYDGGJG-GOSISDBHSA-N 1 2 390.325 3.527 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2cccc(OC)c2Br)C1=O ZINC001277540287 1034753870 /nfs/dbraw/zinc/75/38/70/1034753870.db2.gz JLYWUOSZMHCTAT-IBGZPJMESA-N 1 2 393.325 3.601 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2cccc(OC)c2Br)C1=O ZINC001277540287 1034753881 /nfs/dbraw/zinc/75/38/81/1034753881.db2.gz JLYWUOSZMHCTAT-IBGZPJMESA-N 1 2 393.325 3.601 20 30 GHEDLO C#Cc1cccc(CN2CCO[C@H](c3[nH+]cn4c3cccc4Br)C2)c1 ZINC001231658235 1034814406 /nfs/dbraw/zinc/81/44/06/1034814406.db2.gz SEICNKNHLISWNO-SFHVURJKSA-N 1 2 396.288 3.652 20 30 GHEDLO C#Cc1cccc(C[N@@H+]2CCO[C@H](c3ncn4c3cccc4Br)C2)c1 ZINC001231658235 1034814416 /nfs/dbraw/zinc/81/44/16/1034814416.db2.gz SEICNKNHLISWNO-SFHVURJKSA-N 1 2 396.288 3.652 20 30 GHEDLO C#Cc1cccc(C[N@H+]2CCO[C@H](c3ncn4c3cccc4Br)C2)c1 ZINC001231658235 1034814425 /nfs/dbraw/zinc/81/44/25/1034814425.db2.gz SEICNKNHLISWNO-SFHVURJKSA-N 1 2 396.288 3.652 20 30 GHEDLO COc1ncc(F)cc1C[NH+]1CCC(Oc2ccc(C#N)c(Cl)c2)CC1 ZINC001231746868 1034877171 /nfs/dbraw/zinc/87/71/71/1034877171.db2.gz JYLBPEOIHFBSLN-UHFFFAOYSA-N 1 2 375.831 3.798 20 30 GHEDLO CSc1nc(Cl)c(/C=N/O)c(N[C@@H](C)c2c[nH+]c3c(C)cccn23)n1 ZINC001160683705 1035035602 /nfs/dbraw/zinc/03/56/02/1035035602.db2.gz OWHSCWKGTRFODG-BCOYQZACSA-N 1 2 376.873 3.789 20 30 GHEDLO CCOC(=O)c1cc(C#N)c(Cl)nc1N[C@@H](C)c1c[nH+]c2c(C)cccn12 ZINC001160683390 1035035708 /nfs/dbraw/zinc/03/57/08/1035035708.db2.gz OGVYZUSOGHVHLT-LBPRGKRZSA-N 1 2 383.839 3.913 20 30 GHEDLO N#Cc1ccnc(N2CC[NH+](Cc3c(Br)[nH]c4ccccc43)CC2)c1 ZINC001232142680 1035120896 /nfs/dbraw/zinc/12/08/96/1035120896.db2.gz MODOGWSDKSOQKK-UHFFFAOYSA-N 1 2 396.292 3.519 20 30 GHEDLO N#C[C@@H]1C[C@@H](N2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)CCN1 ZINC001246825616 1037658324 /nfs/dbraw/zinc/65/83/24/1037658324.db2.gz IIFTWSLOEYGXAO-VABKMULXSA-N 1 2 394.950 3.691 20 30 GHEDLO COc1cncc(OC)c1C[NH+]1CCC(Oc2ccc(C#N)c(Cl)c2)CC1 ZINC001232505552 1038275701 /nfs/dbraw/zinc/27/57/01/1038275701.db2.gz KQYZLWOUIFUICG-UHFFFAOYSA-N 1 2 387.867 3.667 20 30 GHEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC2(CC1)NC(=O)C[C@H]2c1ccccc1 ZINC001232607599 1038391055 /nfs/dbraw/zinc/39/10/55/1038391055.db2.gz LMJOPBNVUMADPJ-FQEVSTJZSA-N 1 2 379.891 3.850 20 30 GHEDLO COc1ccc(CN2CCCC[C@@H]2C[N@H+](C)Cc2cc(C#N)ccc2O)cc1 ZINC001232678141 1038476006 /nfs/dbraw/zinc/47/60/06/1038476006.db2.gz QBGIMMQULLWTLF-OAQYLSRUSA-N 1 2 379.504 3.759 20 30 GHEDLO COc1ccc(CN2CCCC[C@@H]2C[N@@H+](C)Cc2cc(C#N)ccc2O)cc1 ZINC001232678141 1038476011 /nfs/dbraw/zinc/47/60/11/1038476011.db2.gz QBGIMMQULLWTLF-OAQYLSRUSA-N 1 2 379.504 3.759 20 30 GHEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1cccc(C(F)(F)F)c1O)CCO2 ZINC001233417848 1039276976 /nfs/dbraw/zinc/27/69/76/1039276976.db2.gz KPCYQLQDYKNFJB-VQIMIIECSA-N 1 2 385.426 3.985 20 30 GHEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1cccc(C(F)(F)F)c1O)CCO2 ZINC001233417848 1039276978 /nfs/dbraw/zinc/27/69/78/1039276978.db2.gz KPCYQLQDYKNFJB-VQIMIIECSA-N 1 2 385.426 3.985 20 30 GHEDLO C[N@@H+](Cc1c(F)cc(Br)cc1F)C[C@H](O)c1cccc(C#N)c1 ZINC001462412913 1070235642 /nfs/dbraw/zinc/23/56/42/1070235642.db2.gz WNEBHKLIHLRNBL-KRWDZBQOSA-N 1 2 381.220 3.764 20 30 GHEDLO C[N@H+](Cc1c(F)cc(Br)cc1F)C[C@H](O)c1cccc(C#N)c1 ZINC001462412913 1070235647 /nfs/dbraw/zinc/23/56/47/1070235647.db2.gz WNEBHKLIHLRNBL-KRWDZBQOSA-N 1 2 381.220 3.764 20 30 GHEDLO COc1cc(/C=C\C(C)=O)ccc1OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001234338871 1039973936 /nfs/dbraw/zinc/97/39/36/1039973936.db2.gz JWVVSVKWOVFNSH-GEPASTNRSA-N 1 2 381.472 3.577 20 30 GHEDLO COc1cc(/C=C\C(C)=O)ccc1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001234338871 1039973946 /nfs/dbraw/zinc/97/39/46/1039973946.db2.gz JWVVSVKWOVFNSH-GEPASTNRSA-N 1 2 381.472 3.577 20 30 GHEDLO CC[C@H](CC#N)[NH+](Cc1ccc2c(c1)OCCO2)Cc1ccc2c(c1)OCCO2 ZINC001255175522 1040887215 /nfs/dbraw/zinc/88/72/15/1040887215.db2.gz PVSWSJJJOVDREM-LJQANCHMSA-N 1 2 394.471 3.923 20 30 GHEDLO N#Cc1cc(F)c(C[NH+]2CCC3(CN(c4ccccc4)C(=O)O3)CC2)c(F)c1 ZINC001235658253 1041104699 /nfs/dbraw/zinc/10/46/99/1041104699.db2.gz IZXVDVCHHQUNGF-UHFFFAOYSA-N 1 2 383.398 3.828 20 30 GHEDLO COc1cccc(I)c1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001236590585 1041770201 /nfs/dbraw/zinc/77/02/01/1041770201.db2.gz CWSCWKCRVDLNDR-XYYAHUGASA-N 1 2 382.245 3.566 20 30 GHEDLO COc1cccc(I)c1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001236590585 1041770209 /nfs/dbraw/zinc/77/02/09/1041770209.db2.gz CWSCWKCRVDLNDR-XYYAHUGASA-N 1 2 382.245 3.566 20 30 GHEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1cc(Cl)cc(C(=O)OC)c1)CCO2 ZINC001236768309 1041881175 /nfs/dbraw/zinc/88/11/75/1041881175.db2.gz CRIREJYKDGUWIC-WIYYLYMNSA-N 1 2 393.911 3.700 20 30 GHEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1cc(Cl)cc(C(=O)OC)c1)CCO2 ZINC001236768309 1041881180 /nfs/dbraw/zinc/88/11/80/1041881180.db2.gz CRIREJYKDGUWIC-WIYYLYMNSA-N 1 2 393.911 3.700 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1cncc(-c2ccc(F)cc2)c1 ZINC001237003839 1041986795 /nfs/dbraw/zinc/98/67/95/1041986795.db2.gz IEKIHDHVQCNCIO-JOCHJYFZSA-N 1 2 392.478 3.923 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1cncc(-c2ccc(F)cc2)c1 ZINC001237003839 1041986796 /nfs/dbraw/zinc/98/67/96/1041986796.db2.gz IEKIHDHVQCNCIO-JOCHJYFZSA-N 1 2 392.478 3.923 20 30 GHEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1c(Cl)c3ccccc3[nH]c1=O)CC2 ZINC001237498777 1042236834 /nfs/dbraw/zinc/23/68/34/1042236834.db2.gz QHXPKMBGKHFZHQ-UHFFFAOYSA-N 1 2 398.894 3.588 20 30 GHEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1c(Cl)c3ccccc3[nH]c1=O)CC2 ZINC001237498777 1042236838 /nfs/dbraw/zinc/23/68/38/1042236838.db2.gz QHXPKMBGKHFZHQ-UHFFFAOYSA-N 1 2 398.894 3.588 20 30 GHEDLO N#Cc1cc(C[NH+]2CCC(N3Cc4ccccc4NC3=O)CC2)c(F)cc1F ZINC001237526909 1042251293 /nfs/dbraw/zinc/25/12/93/1042251293.db2.gz SECTUXAOMDOZSF-UHFFFAOYSA-N 1 2 382.414 3.849 20 30 GHEDLO COCCOc1ccc(N2CC[NH+](Cc3cc(Cl)cc(C#N)c3)CC2)cc1 ZINC001237754120 1042354787 /nfs/dbraw/zinc/35/47/87/1042354787.db2.gz SLJWUYOCOCMRBE-UHFFFAOYSA-N 1 2 385.895 3.559 20 30 GHEDLO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cnc(C(F)(F)F)s3)C2)C1 ZINC001237947252 1042434652 /nfs/dbraw/zinc/43/46/52/1042434652.db2.gz MYVRUEUETKKCIS-INIZCTEOSA-N 1 2 389.443 3.772 20 30 GHEDLO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](Cc3cnc(C(F)(F)F)s3)C2)C1 ZINC001237947252 1042434654 /nfs/dbraw/zinc/43/46/54/1042434654.db2.gz MYVRUEUETKKCIS-INIZCTEOSA-N 1 2 389.443 3.772 20 30 GHEDLO Cn1c2ccccc2n(C2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)c1=O ZINC001238085759 1042487229 /nfs/dbraw/zinc/48/72/29/1042487229.db2.gz LIKKYAYIBXGGBO-UHFFFAOYSA-N 1 2 380.879 3.702 20 30 GHEDLO N#Cc1cc(C[N@H+]2Cc3cncn3C[C@H](COc3cccnc3)C2)ccc1Cl ZINC001238192733 1042515423 /nfs/dbraw/zinc/51/54/23/1042515423.db2.gz WHVRDVRMTKORJL-QGZVFWFLSA-N 1 2 393.878 3.514 20 30 GHEDLO N#Cc1cc(C[N@@H+]2Cc3cncn3C[C@H](COc3cccnc3)C2)ccc1Cl ZINC001238192733 1042515428 /nfs/dbraw/zinc/51/54/28/1042515428.db2.gz WHVRDVRMTKORJL-QGZVFWFLSA-N 1 2 393.878 3.514 20 30 GHEDLO COC(=O)[C@H](Cc1ccc(O)cc1)[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257010324 1043798539 /nfs/dbraw/zinc/79/85/39/1043798539.db2.gz YJAOOPAQTXNBNC-AOMIVXANSA-N 1 2 378.472 3.664 20 30 GHEDLO CCN(CC)c1ccc(Cn2c(CC(C)(C)C)nnc2N(C)C[C@H](C)C#N)c[nH+]1 ZINC001295418205 1045005182 /nfs/dbraw/zinc/00/51/82/1045005182.db2.gz BWEXQWYGKFYAOF-QGZVFWFLSA-N 1 2 397.571 3.752 20 30 GHEDLO C=CCN(C)c1nnc(Cc2c(F)cccc2F)n1CCCNc1cccc[nH+]1 ZINC001301299701 1046463290 /nfs/dbraw/zinc/46/32/90/1046463290.db2.gz SYULXBFOYREJSN-UHFFFAOYSA-N 1 2 398.461 3.667 20 30 GHEDLO C[N@@H+]1CCCC[C@H]1c1nnc(N2CCC[C@@H](CC#N)C2)n1CCc1ccccc1 ZINC001263184946 1046625832 /nfs/dbraw/zinc/62/58/32/1046625832.db2.gz KFXJDPLKTIFZNI-SFTDATJTSA-N 1 2 392.551 3.808 20 30 GHEDLO C[N@H+]1CCCC[C@H]1c1nnc(N2CCC[C@@H](CC#N)C2)n1CCc1ccccc1 ZINC001263184946 1046625836 /nfs/dbraw/zinc/62/58/36/1046625836.db2.gz KFXJDPLKTIFZNI-SFTDATJTSA-N 1 2 392.551 3.808 20 30 GHEDLO C#C[C@H]1CCCCN1c1nnc([C@@H](CC(C)C)n2cc[nH+]c2)n1CCCOCC ZINC001263365444 1046750655 /nfs/dbraw/zinc/75/06/55/1046750655.db2.gz OTNYIUJMRYYABW-VQTJNVASSA-N 1 2 398.555 3.529 20 30 GHEDLO C=CC1CCN(c2nnc([C@@H](CC(C)C)n3cc[nH+]c3)n2C[C@@H]2CCOC2)CC1 ZINC001263563799 1046949426 /nfs/dbraw/zinc/94/94/26/1046949426.db2.gz NEJLKNUJMWBWKQ-VQTJNVASSA-N 1 2 398.555 3.549 20 30 GHEDLO N#CC1CCN(c2nnc(CC3CCCC3)n2CCCNc2cccc[nH+]2)CC1 ZINC001303001804 1047242480 /nfs/dbraw/zinc/24/24/80/1047242480.db2.gz KRKQKDLJNOKAKX-UHFFFAOYSA-N 1 2 393.539 3.648 20 30 GHEDLO CCCCCCCCS(=O)(=O)N1CC2(C1)C[NH+](CCCC(F)(F)F)C2 ZINC001279759341 1047944084 /nfs/dbraw/zinc/94/40/84/1047944084.db2.gz QWNQPRGYILVKNV-UHFFFAOYSA-N 1 2 384.508 3.637 20 30 GHEDLO CC[C@H](C)c1nnc(N(C)C[C@H](C)C#N)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001305377726 1048001919 /nfs/dbraw/zinc/00/19/19/1048001919.db2.gz SJDZHUDVRHQVEU-SJORKVTESA-N 1 2 383.544 3.677 20 30 GHEDLO CC[C@@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001305378707 1048002389 /nfs/dbraw/zinc/00/23/89/1048002389.db2.gz WNLMKFZANZBHMT-ZWKOTPCHSA-N 1 2 395.555 3.821 20 30 GHEDLO C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001286667171 1048432882 /nfs/dbraw/zinc/43/28/82/1048432882.db2.gz PPYCNPDULBJPNZ-QGZVFWFLSA-N 1 2 397.571 3.819 20 30 GHEDLO CC(C)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001287176856 1048625012 /nfs/dbraw/zinc/62/50/12/1048625012.db2.gz OPHZETIXFXUBAF-QGZVFWFLSA-N 1 2 381.528 3.573 20 30 GHEDLO Cc1cc(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)nn1-c1cccc(C#N)c1 ZINC001306754300 1048860974 /nfs/dbraw/zinc/86/09/74/1048860974.db2.gz KXBLANVDKGCBSC-KRWDZBQOSA-N 1 2 396.454 3.729 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCc3cccc4ccccc43)CC2)cc1 ZINC001290045718 1049718538 /nfs/dbraw/zinc/71/85/38/1049718538.db2.gz KEEBHZHZLYIMTH-UHFFFAOYSA-N 1 2 383.495 3.988 20 30 GHEDLO C[NH+](C)Cc1nc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)co1 ZINC001310108387 1051160339 /nfs/dbraw/zinc/16/03/39/1051160339.db2.gz PBSHERVTDXSEJT-HXUWFJFHSA-N 1 2 389.459 3.713 20 30 GHEDLO C#CCOc1cc(F)ccc1NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001310374509 1051316498 /nfs/dbraw/zinc/31/64/98/1051316498.db2.gz RXZWKMBAPUFTQM-IBGZPJMESA-N 1 2 378.407 3.597 20 30 GHEDLO C=CCOc1ccc(C(=O)Nc2nc(C[NH+](CC)CC)cs2)cc1OC ZINC001333816857 1051847754 /nfs/dbraw/zinc/84/77/54/1051847754.db2.gz LLTLQGKTPIHRMU-UHFFFAOYSA-N 1 2 375.494 3.811 20 30 GHEDLO C=CC[C@H]1N(C(=O)NC[C@H]2C[N@H+](Cc3cccc(C)c3)CCO2)CCCC1(C)C ZINC001313165426 1052974045 /nfs/dbraw/zinc/97/40/45/1052974045.db2.gz UNEXICRNOUXMBU-FCHUYYIVSA-N 1 2 399.579 3.972 20 30 GHEDLO C=CC[C@H]1N(C(=O)NC[C@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)CCCC1(C)C ZINC001313165426 1052974047 /nfs/dbraw/zinc/97/40/47/1052974047.db2.gz UNEXICRNOUXMBU-FCHUYYIVSA-N 1 2 399.579 3.972 20 30 GHEDLO C=CC[C@H]1N(C(=O)NC[C@@H]2C[N@H+](Cc3cccc(C)c3)CCO2)CCCC1(C)C ZINC001313165427 1052974176 /nfs/dbraw/zinc/97/41/76/1052974176.db2.gz UNEXICRNOUXMBU-FGZHOGPDSA-N 1 2 399.579 3.972 20 30 GHEDLO C=CC[C@H]1N(C(=O)NC[C@@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)CCCC1(C)C ZINC001313165427 1052974179 /nfs/dbraw/zinc/97/41/79/1052974179.db2.gz UNEXICRNOUXMBU-FGZHOGPDSA-N 1 2 399.579 3.972 20 30 GHEDLO CC(C)Cn1c([C@H]2C[C@H]2C#N)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001342888589 1053412370 /nfs/dbraw/zinc/41/23/70/1053412370.db2.gz DOONXSDFYQAPMY-HKUYNNGSSA-N 1 2 398.942 3.537 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC(OC2CCCCC2)CC1 ZINC001343457393 1053782822 /nfs/dbraw/zinc/78/28/22/1053782822.db2.gz OFANWMUWPAHLQM-FQEVSTJZSA-N 1 2 387.572 3.939 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC(OC2CCCCC2)CC1 ZINC001343457393 1053782826 /nfs/dbraw/zinc/78/28/26/1053782826.db2.gz OFANWMUWPAHLQM-FQEVSTJZSA-N 1 2 387.572 3.939 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@H](OC2CCC2)CC1 ZINC001343767866 1054010871 /nfs/dbraw/zinc/01/08/71/1054010871.db2.gz GNBPORPDRYFNBD-UXHICEINSA-N 1 2 387.572 3.939 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@H](OC2CCC2)CC1 ZINC001343767866 1054010885 /nfs/dbraw/zinc/01/08/85/1054010885.db2.gz GNBPORPDRYFNBD-UXHICEINSA-N 1 2 387.572 3.939 20 30 GHEDLO C=C[C@@H](C(=O)NC1(c2noc(C[NH+](CC)CC)n2)CCCC1)c1ccccc1 ZINC001345680744 1055202577 /nfs/dbraw/zinc/20/25/77/1055202577.db2.gz KJHBVPDBRNPYKA-GOSISDBHSA-N 1 2 382.508 3.767 20 30 GHEDLO N#CCOc1ccc(NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1 ZINC001322015747 1056475449 /nfs/dbraw/zinc/47/54/49/1056475449.db2.gz HWQPHOXAPXAQAS-UHFFFAOYSA-N 1 2 377.404 3.508 20 30 GHEDLO C[C@H]1C[N@H+](CCNC(=O)c2ccc(Sc3ccccc3C#N)cc2)[C@@H](C)CO1 ZINC001300609387 1056635480 /nfs/dbraw/zinc/63/54/80/1056635480.db2.gz ASAKOUWYVHKCCQ-IRXDYDNUSA-N 1 2 395.528 3.548 20 30 GHEDLO C[C@H]1C[N@@H+](CCNC(=O)c2ccc(Sc3ccccc3C#N)cc2)[C@@H](C)CO1 ZINC001300609387 1056635487 /nfs/dbraw/zinc/63/54/87/1056635487.db2.gz ASAKOUWYVHKCCQ-IRXDYDNUSA-N 1 2 395.528 3.548 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2CC(C)(C)c2ccc(F)cc2)CC1 ZINC001300682809 1056861506 /nfs/dbraw/zinc/86/15/06/1056861506.db2.gz ROUYEULXWKKLOV-SFHVURJKSA-N 1 2 397.542 3.664 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCCC2(C)C)CC1 ZINC001300693069 1056892650 /nfs/dbraw/zinc/89/26/50/1056892650.db2.gz RAMJZXASEBCDIT-HXUWFJFHSA-N 1 2 391.563 3.835 20 30 GHEDLO N#CCCCC[C@@H]([NH3+])c1nc(-c2ccc3[nH]c(-c4cscn4)nc3c2)no1 ZINC000848630886 1057214080 /nfs/dbraw/zinc/21/40/80/1057214080.db2.gz AJLAPAYROYXEBJ-GFCCVEGCSA-N 1 2 379.449 3.820 20 30 GHEDLO N#CCOc1cccc(C[NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)c1 ZINC001324924460 1057248605 /nfs/dbraw/zinc/24/86/05/1057248605.db2.gz QVLPSZVNNXETOR-UHFFFAOYSA-N 1 2 388.258 3.766 20 30 GHEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1Cc2ccc(Cl)cc2C1 ZINC001355875338 1057301885 /nfs/dbraw/zinc/30/18/85/1057301885.db2.gz BAZNBVKKDIWOCX-RBUKOAKNSA-N 1 2 399.926 3.564 20 30 GHEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1Cc2ccc(Cl)cc2C1 ZINC001355875338 1057301892 /nfs/dbraw/zinc/30/18/92/1057301892.db2.gz BAZNBVKKDIWOCX-RBUKOAKNSA-N 1 2 399.926 3.564 20 30 GHEDLO C=CC1(CC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)CN(C(=O)OC(C)(C)C)C1 ZINC001440936592 1058661276 /nfs/dbraw/zinc/66/12/76/1058661276.db2.gz IEIBYVSWCASQNR-UHFFFAOYSA-N 1 2 382.464 3.624 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 ZINC001338749937 1058762724 /nfs/dbraw/zinc/76/27/24/1058762724.db2.gz VTRBZMXXNGSOFT-NRFANRHFSA-N 1 2 388.519 3.786 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 ZINC001338749937 1058762731 /nfs/dbraw/zinc/76/27/31/1058762731.db2.gz VTRBZMXXNGSOFT-NRFANRHFSA-N 1 2 388.519 3.786 20 30 GHEDLO C=CC1(CC(=O)Nc2ccc(-n3cc[nH+]c3)c(C)c2)CN(C(=O)OC(C)(C)C)C1 ZINC001443307811 1059102370 /nfs/dbraw/zinc/10/23/70/1059102370.db2.gz CNKAXIHGVBARNR-UHFFFAOYSA-N 1 2 396.491 3.932 20 30 GHEDLO C[C@@H](c1cccc(Cl)c1)N(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001339629530 1059358331 /nfs/dbraw/zinc/35/83/31/1059358331.db2.gz SVVPDEVQXDQUFB-HNNXBMFYSA-N 1 2 386.931 3.759 20 30 GHEDLO C=C(CC(C)C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC001447800350 1060035519 /nfs/dbraw/zinc/03/55/19/1060035519.db2.gz FGVICASAHWZLDP-UHFFFAOYSA-N 1 2 380.330 3.742 20 30 GHEDLO CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)NCc2cccc(OCC#N)c2)C1 ZINC001340678685 1060042171 /nfs/dbraw/zinc/04/21/71/1060042171.db2.gz NWAUAWWOMZCYTO-SFHVURJKSA-N 1 2 395.507 3.630 20 30 GHEDLO COc1cc(C#N)ccc1C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC001448498634 1060200593 /nfs/dbraw/zinc/20/05/93/1060200593.db2.gz BGOLPMWRNQBTBY-MRXNPFEDSA-N 1 2 378.476 3.625 20 30 GHEDLO COc1cc(C#N)ccc1C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC001448498634 1060200613 /nfs/dbraw/zinc/20/06/13/1060200613.db2.gz BGOLPMWRNQBTBY-MRXNPFEDSA-N 1 2 378.476 3.625 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCO[C@@H](c2ccccc2)C1 ZINC001342226390 1061154269 /nfs/dbraw/zinc/15/42/69/1061154269.db2.gz WRMKUFMYZAMFRL-VQTJNVASSA-N 1 2 381.524 3.589 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCO[C@@H](c2ccccc2)C1 ZINC001342226390 1061154272 /nfs/dbraw/zinc/15/42/72/1061154272.db2.gz WRMKUFMYZAMFRL-VQTJNVASSA-N 1 2 381.524 3.589 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC(Oc2cccc(F)c2)CC1 ZINC001346188198 1061437023 /nfs/dbraw/zinc/43/70/23/1061437023.db2.gz TUOHLZGSJGRWKR-FQEVSTJZSA-N 1 2 399.514 3.808 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC(Oc2cccc(F)c2)CC1 ZINC001346188198 1061437034 /nfs/dbraw/zinc/43/70/34/1061437034.db2.gz TUOHLZGSJGRWKR-FQEVSTJZSA-N 1 2 399.514 3.808 20 30 GHEDLO C=CCC[C@H](O)C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1OC ZINC001460003927 1064337008 /nfs/dbraw/zinc/33/70/08/1064337008.db2.gz IFBZWFKEKSLXCZ-HKUYNNGSSA-N 1 2 390.524 3.616 20 30 GHEDLO C=CCC[C@H](O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1OC ZINC001460003927 1064337016 /nfs/dbraw/zinc/33/70/16/1064337016.db2.gz IFBZWFKEKSLXCZ-HKUYNNGSSA-N 1 2 390.524 3.616 20 30 GHEDLO C=CCNC(=O)Nc1ccc(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)cc1 ZINC001463923144 1064721782 /nfs/dbraw/zinc/72/17/82/1064721782.db2.gz NWCAOFSORZDCAP-IBGZPJMESA-N 1 2 389.459 3.878 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC2(C1)CCCCC2 ZINC001351948974 1064726005 /nfs/dbraw/zinc/72/60/05/1064726005.db2.gz LZDGHSUSGZWUJS-UHFFFAOYSA-N 1 2 382.556 3.718 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC(OC(C)C)CC1 ZINC001351981681 1064746226 /nfs/dbraw/zinc/74/62/26/1064746226.db2.gz RNQLPFZXQLXNGM-LJQANCHMSA-N 1 2 386.544 3.690 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000847412446 1065246280 /nfs/dbraw/zinc/24/62/80/1065246280.db2.gz QUHOBBKNDFACBF-KRWDZBQOSA-N 1 2 397.479 3.992 20 30 GHEDLO N#CCOc1cccc(NC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)c1 ZINC001465254284 1065502388 /nfs/dbraw/zinc/50/23/88/1065502388.db2.gz SIGCKWSSDNDIMI-UHFFFAOYSA-N 1 2 381.823 3.750 20 30 GHEDLO CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)NCc2ccc(OCC#N)cc2)C1 ZINC001353248469 1065801154 /nfs/dbraw/zinc/80/11/54/1065801154.db2.gz GZIGPDPCBYDKAT-SFHVURJKSA-N 1 2 395.507 3.630 20 30 GHEDLO N#Cc1cccc(-c2c[nH]c(CNC(=O)C[C@@H](c3[nH]cc[nH+]3)c3ccccc3)n2)c1 ZINC001465940884 1065931103 /nfs/dbraw/zinc/93/11/03/1065931103.db2.gz NLUBCQNEBCVOQP-LJQANCHMSA-N 1 2 396.454 3.510 20 30 GHEDLO CCCCCCCCCNC(=S)Nc1sc2c(c1C(N)=O)CC[N@@H+](C)C2 ZINC001200369305 1065998608 /nfs/dbraw/zinc/99/86/08/1065998608.db2.gz RLMNKXYQGDDVQK-UHFFFAOYSA-N 1 2 396.626 3.872 20 30 GHEDLO CCCCCCCCCNC(=S)Nc1sc2c(c1C(N)=O)CC[N@H+](C)C2 ZINC001200369305 1065998613 /nfs/dbraw/zinc/99/86/13/1065998613.db2.gz RLMNKXYQGDDVQK-UHFFFAOYSA-N 1 2 396.626 3.872 20 30 GHEDLO C#CCN(CC#CC)c1nnc(-c2ccccc2C)n1CCCNc1cccc[nH+]1 ZINC001358990617 1067638294 /nfs/dbraw/zinc/63/82/94/1067638294.db2.gz UUOHMEVWBLPRKC-UHFFFAOYSA-N 1 2 398.514 3.614 20 30 GHEDLO C=CCN(C)c1nnc(CC(C)(C)C)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001359241152 1067850657 /nfs/dbraw/zinc/85/06/57/1067850657.db2.gz HGCFJHKKBUGYPK-UHFFFAOYSA-N 1 2 382.556 3.923 20 30 GHEDLO C#CCC1(O)CC[NH+](CC(=O)Nc2nc(-c3ccc(CCC)cc3)cs2)CC1 ZINC001460685254 1069085569 /nfs/dbraw/zinc/08/55/69/1069085569.db2.gz BGNCTWWNVKHQEA-UHFFFAOYSA-N 1 2 397.544 3.551 20 30 GHEDLO C#C[C@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)c1ccc(Cl)cc1 ZINC001460792510 1069182181 /nfs/dbraw/zinc/18/21/81/1069182181.db2.gz PHCWBYILPXSKQL-PMACEKPBSA-N 1 2 384.932 3.921 20 30 GHEDLO Cc1cc(NCc2nc(C[NH+](C)C)cs2)n2c3ccccc3nc2c1C#N ZINC001472879345 1073709141 /nfs/dbraw/zinc/70/91/41/1073709141.db2.gz SUUHKYXPBDBXQN-UHFFFAOYSA-N 1 2 376.489 3.798 20 30 GHEDLO Cn1c(C[N@@H+]2CCC[C@H](Nc3ccc(C#N)cn3)C2)nc2cc(Cl)ccc21 ZINC001474717360 1074532135 /nfs/dbraw/zinc/53/21/35/1074532135.db2.gz LBFNGKHYFDGJDZ-INIZCTEOSA-N 1 2 380.883 3.570 20 30 GHEDLO Cn1c(C[N@H+]2CCC[C@H](Nc3ccc(C#N)cn3)C2)nc2cc(Cl)ccc21 ZINC001474717360 1074532141 /nfs/dbraw/zinc/53/21/41/1074532141.db2.gz LBFNGKHYFDGJDZ-INIZCTEOSA-N 1 2 380.883 3.570 20 30 GHEDLO N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)c2)nc1 ZINC001476200623 1075102875 /nfs/dbraw/zinc/10/28/75/1075102875.db2.gz VCEVPEAYSLMTCR-GOSISDBHSA-N 1 2 388.431 3.811 20 30 GHEDLO Cc1cc(C)c(CNC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)c[nH+]1 ZINC001476324106 1075124972 /nfs/dbraw/zinc/12/49/72/1075124972.db2.gz XERVNOFWAPSZEK-UHFFFAOYSA-N 1 2 380.839 3.731 20 30 GHEDLO Cn1cc([C@@H]([NH2+]Cc2ccc(C#N)cc2Br)c2ccccc2)cn1 ZINC000359895110 206267220 /nfs/dbraw/zinc/26/72/20/206267220.db2.gz GKUNXIYVUSCVIV-IBGZPJMESA-N 1 2 381.277 3.933 20 30 GHEDLO C[C@@H](C#N)C[N@H+](Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1)C1CC1 ZINC000824034455 608742803 /nfs/dbraw/zinc/74/28/03/608742803.db2.gz KAPOXFJMXBKIBV-INIZCTEOSA-N 1 2 388.475 3.570 20 30 GHEDLO C[C@@H](C#N)C[N@@H+](Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1)C1CC1 ZINC000824034455 608742808 /nfs/dbraw/zinc/74/28/08/608742808.db2.gz KAPOXFJMXBKIBV-INIZCTEOSA-N 1 2 388.475 3.570 20 30 GHEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2cc3ccccc3n2CC#N)CC1 ZINC000613221355 837421548 /nfs/dbraw/zinc/42/15/48/837421548.db2.gz QTOIBOIGNYSKTC-INIZCTEOSA-N 1 2 378.501 3.745 20 30 GHEDLO Cc1cccn2cc(CC(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)[nH+]c12 ZINC000608847041 837543126 /nfs/dbraw/zinc/54/31/26/837543126.db2.gz CHJYAQRZSATWPU-UHFFFAOYSA-N 1 2 383.411 3.883 20 30 GHEDLO C=CC[N@H+](CC(=O)N(C)c1nc2ccccc2s1)Cc1ccc(OC)cc1 ZINC000173233755 837606179 /nfs/dbraw/zinc/60/61/79/837606179.db2.gz ZMNGPHVLCYIAHM-UHFFFAOYSA-N 1 2 381.501 3.956 20 30 GHEDLO C=CC[N@@H+](CC(=O)N(C)c1nc2ccccc2s1)Cc1ccc(OC)cc1 ZINC000173233755 837606183 /nfs/dbraw/zinc/60/61/83/837606183.db2.gz ZMNGPHVLCYIAHM-UHFFFAOYSA-N 1 2 381.501 3.956 20 30 GHEDLO C[C@H](O)C1CCN(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000329854891 835005572 /nfs/dbraw/zinc/00/55/72/835005572.db2.gz SYCXQHHIGUMRFO-KSSFIOAISA-N 1 2 397.922 3.623 20 30 GHEDLO O=C(N[C@@H]1CCCOc2ccc(F)cc21)c1ccccc1C[NH+]1CCOCC1 ZINC000329865474 835133230 /nfs/dbraw/zinc/13/32/30/835133230.db2.gz AHGBIONNUMVPPN-HXUWFJFHSA-N 1 2 384.451 3.876 20 30 GHEDLO C[C@@](C#N)(NC(=O)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1)C1CC1 ZINC000052798044 835581462 /nfs/dbraw/zinc/58/14/62/835581462.db2.gz XNPXRJXXPLPUOO-QHCPKHFHSA-N 1 2 390.462 3.508 20 30 GHEDLO C[C@@](C#N)(NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1)C1CC1 ZINC000052798044 835581467 /nfs/dbraw/zinc/58/14/67/835581467.db2.gz XNPXRJXXPLPUOO-QHCPKHFHSA-N 1 2 390.462 3.508 20 30 GHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000512526131 844067951 /nfs/dbraw/zinc/06/79/51/844067951.db2.gz DBDBYXUHHAEUHE-NQIIRXRSSA-N 1 2 396.535 3.871 20 30 GHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000512526131 844067958 /nfs/dbraw/zinc/06/79/58/844067958.db2.gz DBDBYXUHHAEUHE-NQIIRXRSSA-N 1 2 396.535 3.871 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@](C)(C#N)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000612152436 835685347 /nfs/dbraw/zinc/68/53/47/835685347.db2.gz ASRBPNOGCVMZRI-HQRMLTQVSA-N 1 2 394.441 3.574 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@](C)(C#N)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000612152436 835685354 /nfs/dbraw/zinc/68/53/54/835685354.db2.gz ASRBPNOGCVMZRI-HQRMLTQVSA-N 1 2 394.441 3.574 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cc1 ZINC000134464593 835740596 /nfs/dbraw/zinc/74/05/96/835740596.db2.gz IIGYLQXXNVHAEV-ZDUSSCGKSA-N 1 2 394.422 3.852 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cc1 ZINC000134464593 835740605 /nfs/dbraw/zinc/74/06/05/835740605.db2.gz IIGYLQXXNVHAEV-ZDUSSCGKSA-N 1 2 394.422 3.852 20 30 GHEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC000533508476 836017121 /nfs/dbraw/zinc/01/71/21/836017121.db2.gz XKBJWJJBWVUGAV-SFHVURJKSA-N 1 2 392.425 3.888 20 30 GHEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC000533508476 836017136 /nfs/dbraw/zinc/01/71/36/836017136.db2.gz XKBJWJJBWVUGAV-SFHVURJKSA-N 1 2 392.425 3.888 20 30 GHEDLO Cc1cc(N)nc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)[nH+]1 ZINC000007177488 836957807 /nfs/dbraw/zinc/95/78/07/836957807.db2.gz WEKBYNMSQXHQOK-NSHDSACASA-N 1 2 387.534 3.689 20 30 GHEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC001167273924 837128891 /nfs/dbraw/zinc/12/88/91/837128891.db2.gz VEXIOKWTIFBYRJ-KRWDZBQOSA-N 1 2 381.426 3.735 20 30 GHEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC001167273924 837128893 /nfs/dbraw/zinc/12/88/93/837128893.db2.gz VEXIOKWTIFBYRJ-KRWDZBQOSA-N 1 2 381.426 3.735 20 30 GHEDLO C[N@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)/C=C/c1cccc(C#N)c1)CC2 ZINC000275602632 837855847 /nfs/dbraw/zinc/85/58/47/837855847.db2.gz ICFYUNDZXJABLA-ZMBJWTFHSA-N 1 2 392.528 3.541 20 30 GHEDLO C[N@@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)/C=C/c1cccc(C#N)c1)CC2 ZINC000275602632 837855855 /nfs/dbraw/zinc/85/58/55/837855855.db2.gz ICFYUNDZXJABLA-ZMBJWTFHSA-N 1 2 392.528 3.541 20 30 GHEDLO N#CCCC[C@@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000431850956 837885946 /nfs/dbraw/zinc/88/59/46/837885946.db2.gz LQKDHLDCAWDNIM-HXUWFJFHSA-N 1 2 377.492 3.785 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178832774 838474915 /nfs/dbraw/zinc/47/49/15/838474915.db2.gz AMVYIPPAUHYYCH-HNNXBMFYSA-N 1 2 376.522 3.567 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178832774 838474918 /nfs/dbraw/zinc/47/49/18/838474918.db2.gz AMVYIPPAUHYYCH-HNNXBMFYSA-N 1 2 376.522 3.567 20 30 GHEDLO Cn1cc[nH+]c1CCC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC001143484275 838805970 /nfs/dbraw/zinc/80/59/70/838805970.db2.gz QIQBXTWZUDMHIE-UHFFFAOYSA-N 1 2 378.407 3.581 20 30 GHEDLO CN(C(=O)C[N@H+](C)Cc1cc(Br)cs1)C1(C#N)CCCCC1 ZINC000047753110 838834956 /nfs/dbraw/zinc/83/49/56/838834956.db2.gz NDWUAEHWABSJKW-UHFFFAOYSA-N 1 2 384.343 3.627 20 30 GHEDLO CN(C(=O)C[N@@H+](C)Cc1cc(Br)cs1)C1(C#N)CCCCC1 ZINC000047753110 838834968 /nfs/dbraw/zinc/83/49/68/838834968.db2.gz NDWUAEHWABSJKW-UHFFFAOYSA-N 1 2 384.343 3.627 20 30 GHEDLO COc1ccc(C[NH+]2CCN(c3cccc(C#N)c3)CC2)c(C(F)(F)F)c1 ZINC001143484907 838843844 /nfs/dbraw/zinc/84/38/44/838843844.db2.gz VMIDXMQXDRZLDH-UHFFFAOYSA-N 1 2 375.394 3.908 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000275888412 839594694 /nfs/dbraw/zinc/59/46/94/839594694.db2.gz HIUFNXCLYJELLS-GOSISDBHSA-N 1 2 383.883 3.589 20 30 GHEDLO N#C[C@H]1CC[C@@H](NC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000581008251 840587618 /nfs/dbraw/zinc/58/76/18/840587618.db2.gz MBPZOQBUOQORBX-JJRVBVJISA-N 1 2 378.879 3.607 20 30 GHEDLO N#Cc1cc(NC(=O)NCCCNc2cccc[nH+]2)ccc1OCC(F)(F)F ZINC000046945041 844554890 /nfs/dbraw/zinc/55/48/90/844554890.db2.gz VYRSQPORIYPLOW-UHFFFAOYSA-N 1 2 393.369 3.518 20 30 GHEDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1Cl ZINC000054064401 842253312 /nfs/dbraw/zinc/25/33/12/842253312.db2.gz AETFQQAKYXUNJL-MRXNPFEDSA-N 1 2 382.895 3.800 20 30 GHEDLO CCOc1ccccc1NC(=O)[C@@H](C)O[NH+]=C(N)Cc1ccccc1Cl ZINC000097571161 842574326 /nfs/dbraw/zinc/57/43/26/842574326.db2.gz OAUKRSCAKKDNEI-CYBMUJFWSA-N 1 2 375.856 3.597 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000512192261 842960315 /nfs/dbraw/zinc/96/03/15/842960315.db2.gz AXJNMZKBIYBVEG-OAHLLOKOSA-N 1 2 376.884 3.508 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000512192261 842960323 /nfs/dbraw/zinc/96/03/23/842960323.db2.gz AXJNMZKBIYBVEG-OAHLLOKOSA-N 1 2 376.884 3.508 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(OC(F)F)c(F)c3)CC2)c(F)c1 ZINC000512228438 843156339 /nfs/dbraw/zinc/15/63/39/843156339.db2.gz NYFMVLWAAHARLY-UHFFFAOYSA-N 1 2 379.357 3.760 20 30 GHEDLO COC(=O)c1nc([C@@H]2CCC[N@@H+]2Cc2ccc(N(C)CCC#N)cc2)sc1C ZINC000279630988 843183914 /nfs/dbraw/zinc/18/39/14/843183914.db2.gz HZJAVFRHTMAQKT-SFHVURJKSA-N 1 2 398.532 3.925 20 30 GHEDLO COC(=O)c1nc([C@@H]2CCC[N@H+]2Cc2ccc(N(C)CCC#N)cc2)sc1C ZINC000279630988 843183920 /nfs/dbraw/zinc/18/39/20/843183920.db2.gz HZJAVFRHTMAQKT-SFHVURJKSA-N 1 2 398.532 3.925 20 30 GHEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)c(C#N)c1C ZINC000430958409 843253156 /nfs/dbraw/zinc/25/31/56/843253156.db2.gz XSGRRAHNLPRZBL-LJQANCHMSA-N 1 2 397.544 3.899 20 30 GHEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)c(C#N)c1C ZINC000430958409 843253168 /nfs/dbraw/zinc/25/31/68/843253168.db2.gz XSGRRAHNLPRZBL-LJQANCHMSA-N 1 2 397.544 3.899 20 30 GHEDLO C=CCOc1ccc(CN2CC[NH+](Cc3c(C)noc3C)CC2)cc1Cl ZINC000091890195 843459772 /nfs/dbraw/zinc/45/97/72/843459772.db2.gz QVPSOTSGRLZJPI-UHFFFAOYSA-N 1 2 375.900 3.827 20 30 GHEDLO C[C@@H](C(=O)N1CCSc2ccccc21)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599676315 861472169 /nfs/dbraw/zinc/47/21/69/861472169.db2.gz AKTFVRWIYJFFAZ-INIZCTEOSA-N 1 2 377.513 3.638 20 30 GHEDLO C[C@@H](C(=O)N1CCSc2ccccc21)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599676315 861472184 /nfs/dbraw/zinc/47/21/84/861472184.db2.gz AKTFVRWIYJFFAZ-INIZCTEOSA-N 1 2 377.513 3.638 20 30 GHEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678376 861516530 /nfs/dbraw/zinc/51/65/30/861516530.db2.gz UVQGPKAPBXLAOM-CQSZACIVSA-N 1 2 378.863 3.663 20 30 GHEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678376 861516541 /nfs/dbraw/zinc/51/65/41/861516541.db2.gz UVQGPKAPBXLAOM-CQSZACIVSA-N 1 2 378.863 3.663 20 30 GHEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000411195530 845067579 /nfs/dbraw/zinc/06/75/79/845067579.db2.gz SSZDBFWETSTPCB-OXQOHEQNSA-N 1 2 395.459 3.611 20 30 GHEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000411195530 845067616 /nfs/dbraw/zinc/06/76/16/845067616.db2.gz SSZDBFWETSTPCB-OXQOHEQNSA-N 1 2 395.459 3.611 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](CC(=O)Nc3ccc(Cl)cc3)CC2)c(F)c1 ZINC000512816378 845628046 /nfs/dbraw/zinc/62/80/46/845628046.db2.gz GSXRDLIRZOCSFP-UHFFFAOYSA-N 1 2 387.842 3.833 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)n2)C1 ZINC000280474782 846414075 /nfs/dbraw/zinc/41/40/75/846414075.db2.gz FWPIIVBPGIGXQM-QAPCUYQASA-N 1 2 393.516 3.568 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)n2)C1 ZINC000280474782 846414080 /nfs/dbraw/zinc/41/40/80/846414080.db2.gz FWPIIVBPGIGXQM-QAPCUYQASA-N 1 2 393.516 3.568 20 30 GHEDLO N#Cc1ccc2ncc(C[NH+]3CCN(c4ccc(C(F)(F)F)cc4)CC3)n2c1 ZINC000127503032 847014302 /nfs/dbraw/zinc/01/43/02/847014302.db2.gz IQHQOZCRRTUVFD-UHFFFAOYSA-N 1 2 385.393 3.547 20 30 GHEDLO CC[C@H](CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(OC)cc1 ZINC000501832503 847227920 /nfs/dbraw/zinc/22/79/20/847227920.db2.gz QMWSBLQFZRTWKI-OAQYLSRUSA-N 1 2 391.515 3.795 20 30 GHEDLO Cc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c2nccc(C)c2c1 ZINC000555788804 861847944 /nfs/dbraw/zinc/84/79/44/861847944.db2.gz ZFGYFNBKVABFHH-UHFFFAOYSA-N 1 2 384.483 3.681 20 30 GHEDLO N#Cc1ccc(C2=CC[N@H+](Cc3nc(-c4ccc5c(c4)OCO5)no3)CC2)cc1 ZINC000502494072 847956192 /nfs/dbraw/zinc/95/61/92/847956192.db2.gz IUOGMOQKXRYELW-UHFFFAOYSA-N 1 2 386.411 3.626 20 30 GHEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3nc(-c4ccc5c(c4)OCO5)no3)CC2)cc1 ZINC000502494072 847956203 /nfs/dbraw/zinc/95/62/03/847956203.db2.gz IUOGMOQKXRYELW-UHFFFAOYSA-N 1 2 386.411 3.626 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](Cc2ccc(C)o2)C2CC2)cc1 ZINC000051965707 848620869 /nfs/dbraw/zinc/62/08/69/848620869.db2.gz IPCKUKWFBLRIFB-UHFFFAOYSA-N 1 2 381.476 3.898 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](Cc2ccc(C)o2)C2CC2)cc1 ZINC000051965707 848620873 /nfs/dbraw/zinc/62/08/73/848620873.db2.gz IPCKUKWFBLRIFB-UHFFFAOYSA-N 1 2 381.476 3.898 20 30 GHEDLO O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1)N1CCn2c[nH+]cc2C1 ZINC000329666411 861973643 /nfs/dbraw/zinc/97/36/43/861973643.db2.gz QFMWOCJMLKBWAR-CQSZACIVSA-N 1 2 394.306 3.589 20 30 GHEDLO N#CCc1ccc(Oc2ccc(C(=O)N3CC[NH2+][C@H](c4cccnc4)C3)cc2)cc1 ZINC000505535200 849804868 /nfs/dbraw/zinc/80/48/68/849804868.db2.gz AJJFXYMAUFDWCB-QHCPKHFHSA-N 1 2 398.466 3.727 20 30 GHEDLO CC(C)(C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)c1cc(F)cc(C#N)c1 ZINC000504594402 850179512 /nfs/dbraw/zinc/17/95/12/850179512.db2.gz XGDWCQJMBKIFKO-RMKNXTFCSA-N 1 2 391.490 3.833 20 30 GHEDLO COc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c2ccccc12 ZINC000017843543 850299828 /nfs/dbraw/zinc/29/98/28/850299828.db2.gz QBVHYCXHAZPVQN-UHFFFAOYSA-N 1 2 385.467 3.678 20 30 GHEDLO CC(C)[N@@H+](Cc1nc(C#N)cs1)C[C@H](O)COc1cccc2ccccc21 ZINC000514897507 850443359 /nfs/dbraw/zinc/44/33/59/850443359.db2.gz WBHNABFQKWFWGU-SFHVURJKSA-N 1 2 381.501 3.818 20 30 GHEDLO CC(C)[N@H+](Cc1nc(C#N)cs1)C[C@H](O)COc1cccc2ccccc21 ZINC000514897507 850443367 /nfs/dbraw/zinc/44/33/67/850443367.db2.gz WBHNABFQKWFWGU-SFHVURJKSA-N 1 2 381.501 3.818 20 30 GHEDLO COc1ccc(-c2cnc(CN3CC[NH+](Cc4ccc(C#N)cc4)CC3)o2)cc1 ZINC000140466912 850486659 /nfs/dbraw/zinc/48/66/59/850486659.db2.gz XBCCJAXEJNCEAN-UHFFFAOYSA-N 1 2 388.471 3.540 20 30 GHEDLO Cc1cc(C[NH+]2CCN([C@@H](C)c3nc(-c4cccs4)no3)CC2)ccc1C#N ZINC000487893486 850973683 /nfs/dbraw/zinc/97/36/83/850973683.db2.gz VMMFJKSQWBSPLS-INIZCTEOSA-N 1 2 393.516 3.857 20 30 GHEDLO C[N@H+](Cc1cc(Br)cs1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000434570369 851272359 /nfs/dbraw/zinc/27/23/59/851272359.db2.gz SHAWZBUOSVNABX-CYBMUJFWSA-N 1 2 396.335 3.681 20 30 GHEDLO C[N@@H+](Cc1cc(Br)cs1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000434570369 851272368 /nfs/dbraw/zinc/27/23/68/851272368.db2.gz SHAWZBUOSVNABX-CYBMUJFWSA-N 1 2 396.335 3.681 20 30 GHEDLO N#Cc1c(C[N@@H+](CCO)Cc2cccc(Br)c2)cn2ccccc12 ZINC000488240344 851303554 /nfs/dbraw/zinc/30/35/54/851303554.db2.gz AJWMWFNARWFHKA-UHFFFAOYSA-N 1 2 384.277 3.568 20 30 GHEDLO N#Cc1c(C[N@H+](CCO)Cc2cccc(Br)c2)cn2ccccc12 ZINC000488240344 851303560 /nfs/dbraw/zinc/30/35/60/851303560.db2.gz AJWMWFNARWFHKA-UHFFFAOYSA-N 1 2 384.277 3.568 20 30 GHEDLO C=CCOc1ccc(C(=O)N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)cc1 ZINC000505478564 851512127 /nfs/dbraw/zinc/51/21/27/851512127.db2.gz ARQCLWKYKDXWJD-GOSISDBHSA-N 1 2 380.488 3.779 20 30 GHEDLO COCC[N@H+](CC(=O)N[C@H](c1ccc(F)cc1)C(C)C)Cc1ccc(C#N)cc1 ZINC000604493146 862252115 /nfs/dbraw/zinc/25/21/15/862252115.db2.gz ADXLIUCBKBCDNL-QHCPKHFHSA-N 1 2 397.494 3.659 20 30 GHEDLO COCC[N@@H+](CC(=O)N[C@H](c1ccc(F)cc1)C(C)C)Cc1ccc(C#N)cc1 ZINC000604493146 862252134 /nfs/dbraw/zinc/25/21/34/862252134.db2.gz ADXLIUCBKBCDNL-QHCPKHFHSA-N 1 2 397.494 3.659 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)c(OC(F)F)c1 ZINC000488967421 851900789 /nfs/dbraw/zinc/90/07/89/851900789.db2.gz CFBCBCOECSHNTR-HNNXBMFYSA-N 1 2 377.366 3.737 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](Oc3ncccc3F)C2)c(OC(F)F)c1 ZINC000488967421 851900795 /nfs/dbraw/zinc/90/07/95/851900795.db2.gz CFBCBCOECSHNTR-HNNXBMFYSA-N 1 2 377.366 3.737 20 30 GHEDLO N#Cc1ccc(O[C@@H]2CCN(c3cc[nH+]c4c(Br)cccc34)C2)nc1 ZINC000489009236 851935865 /nfs/dbraw/zinc/93/58/65/851935865.db2.gz JRKNIYVSUDXNCT-CQSZACIVSA-N 1 2 395.260 3.922 20 30 GHEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000425562783 851965935 /nfs/dbraw/zinc/96/59/35/851965935.db2.gz HIKRDRWFSBLOCK-QGTPRVQTSA-N 1 2 395.906 3.506 20 30 GHEDLO C=CCCc1ccccc1NC(=O)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000505873138 852260147 /nfs/dbraw/zinc/26/01/47/852260147.db2.gz VWGGFOBNCFPXEC-HXUWFJFHSA-N 1 2 399.922 3.816 20 30 GHEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000505906239 852547149 /nfs/dbraw/zinc/54/71/49/852547149.db2.gz MQNCYZNLAXCEQB-HJBMFWNLSA-N 1 2 397.482 3.860 20 30 GHEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000505906239 852547162 /nfs/dbraw/zinc/54/71/62/852547162.db2.gz MQNCYZNLAXCEQB-HJBMFWNLSA-N 1 2 397.482 3.860 20 30 GHEDLO N#CC1(CNC(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000519622403 853327153 /nfs/dbraw/zinc/32/71/53/853327153.db2.gz XBZBIHJASDJZKA-UHFFFAOYSA-N 1 2 385.471 3.701 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@H]3CCC[C@@H]4OCC[C@@H]43)n2)C1 ZINC000329958993 862457528 /nfs/dbraw/zinc/45/75/28/862457528.db2.gz QWYGVCROHUIUMA-DZUCGIPZSA-N 1 2 378.542 3.659 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@H]3CCC[C@@H]4OCC[C@@H]43)n2)C1 ZINC000329958993 862457535 /nfs/dbraw/zinc/45/75/35/862457535.db2.gz QWYGVCROHUIUMA-DZUCGIPZSA-N 1 2 378.542 3.659 20 30 GHEDLO CC[C@H](NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCOCC1 ZINC000329966293 862464404 /nfs/dbraw/zinc/46/44/04/862464404.db2.gz UXOBBNJYCUTITM-QKLQHJQFSA-N 1 2 389.540 3.827 20 30 GHEDLO CC[C@H](NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCOCC1 ZINC000329966293 862464410 /nfs/dbraw/zinc/46/44/10/862464410.db2.gz UXOBBNJYCUTITM-QKLQHJQFSA-N 1 2 389.540 3.827 20 30 GHEDLO NC(=O)N1CCC[C@H]1C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000329969052 862467630 /nfs/dbraw/zinc/46/76/30/862467630.db2.gz UHLUXOIQFGWTKP-LSDHHAIUSA-N 1 2 382.867 3.530 20 30 GHEDLO N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)c1 ZINC000587056702 853634463 /nfs/dbraw/zinc/63/44/63/853634463.db2.gz MKNVAMHZVVTDFX-HNNXBMFYSA-N 1 2 392.846 3.945 20 30 GHEDLO CC[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(C#N)c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543865569 853986264 /nfs/dbraw/zinc/98/62/64/853986264.db2.gz YSBFWLPMZIDIOV-MJGOQNOKSA-N 1 2 388.393 3.933 20 30 GHEDLO CC[N@H+]1CC[C@@H](NC(=O)Nc2cccc(C#N)c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543865569 853986271 /nfs/dbraw/zinc/98/62/71/853986271.db2.gz YSBFWLPMZIDIOV-MJGOQNOKSA-N 1 2 388.393 3.933 20 30 GHEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NC[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000330038673 862523682 /nfs/dbraw/zinc/52/36/82/862523682.db2.gz BNAJDMNUYPEXSL-UYAOXDASSA-N 1 2 386.540 3.556 20 30 GHEDLO N#Cc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000045027351 854154951 /nfs/dbraw/zinc/15/49/51/854154951.db2.gz JHXFWCQIPFGSBB-UHFFFAOYSA-N 1 2 388.393 3.927 20 30 GHEDLO NC(=O)c1ccc(NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(F)c1 ZINC000328659253 854493236 /nfs/dbraw/zinc/49/32/36/854493236.db2.gz SKDLEJDINHJYIE-CQSZACIVSA-N 1 2 385.443 3.667 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)c2cn3c(n2)CCCC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000328704651 854516490 /nfs/dbraw/zinc/51/64/90/854516490.db2.gz KQXMFSMWZOVBGV-MAUKXSAKSA-N 1 2 376.863 3.762 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)c2cn3c(n2)CCCC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000328704651 854516494 /nfs/dbraw/zinc/51/64/94/854516494.db2.gz KQXMFSMWZOVBGV-MAUKXSAKSA-N 1 2 376.863 3.762 20 30 GHEDLO CC(C)(CCC#N)CNc1nc(NCC(C)(C)CCC#N)c2ccccc2[nH+]1 ZINC000588844758 854545285 /nfs/dbraw/zinc/54/52/85/854545285.db2.gz COTFPASLWWCHJP-UHFFFAOYSA-N 1 2 378.524 3.957 20 30 GHEDLO O=C(Nc1cccc2c1CN(c1nccs1)C2)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000328889584 854599008 /nfs/dbraw/zinc/59/90/08/854599008.db2.gz QSAVWFSWRCZEIS-HNNXBMFYSA-N 1 2 394.504 3.812 20 30 GHEDLO O=C(N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000328938929 854609412 /nfs/dbraw/zinc/60/94/12/854609412.db2.gz GYGCIWLPCUPJTF-WMLDXEAASA-N 1 2 390.890 3.859 20 30 GHEDLO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c1 ZINC000330125319 862595868 /nfs/dbraw/zinc/59/58/68/862595868.db2.gz LVKPYSPQADMYMB-AUSJPIAWSA-N 1 2 375.469 3.541 20 30 GHEDLO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c1 ZINC000330125319 862595877 /nfs/dbraw/zinc/59/58/77/862595877.db2.gz LVKPYSPQADMYMB-AUSJPIAWSA-N 1 2 375.469 3.541 20 30 GHEDLO N#CCc1cccc(S(=O)(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)c1 ZINC000589585958 855022380 /nfs/dbraw/zinc/02/23/80/855022380.db2.gz YJVHDTJOZYLVOL-UHFFFAOYSA-N 1 2 380.473 3.630 20 30 GHEDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N[C@@H]1CCOC2(CCCC2)C1 ZINC000330181479 862642065 /nfs/dbraw/zinc/64/20/65/862642065.db2.gz OCZIGLCCMXUWCX-OAHLLOKOSA-N 1 2 378.542 3.947 20 30 GHEDLO Cc1cncc(C[NH+]2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)c1 ZINC000189982618 855253891 /nfs/dbraw/zinc/25/38/91/855253891.db2.gz MAYVLVFPRALSCV-IBGZPJMESA-N 1 2 385.309 3.535 20 30 GHEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)N[C@H]2CCCc3sc(Cl)cc32)CCO1 ZINC000330247843 862693220 /nfs/dbraw/zinc/69/32/20/862693220.db2.gz ZAPKYOVOVCKPOZ-ZLDLUXBVSA-N 1 2 394.928 3.936 20 30 GHEDLO N#Cc1cc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)ccc1OC(F)(F)F ZINC000441537263 855593825 /nfs/dbraw/zinc/59/38/25/855593825.db2.gz SUQJVLHBFXYIEY-UHFFFAOYSA-N 1 2 386.333 3.954 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCC3(c4ccccc4)CCC3)CC2)cc1 ZINC000107938094 855623375 /nfs/dbraw/zinc/62/33/75/855623375.db2.gz ALRAYUOWDMIHBP-UHFFFAOYSA-N 1 2 388.515 3.507 20 30 GHEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000133948841 862780580 /nfs/dbraw/zinc/78/05/80/862780580.db2.gz UQHKXWJYGPCXMK-CYBMUJFWSA-N 1 2 391.397 3.797 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)c2cccc(F)c2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000250100993 856313977 /nfs/dbraw/zinc/31/39/77/856313977.db2.gz RJMOOXPODJTZQF-QZTJIDSGSA-N 1 2 375.806 3.665 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)c2cccc(F)c2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000250100993 856313981 /nfs/dbraw/zinc/31/39/81/856313981.db2.gz RJMOOXPODJTZQF-QZTJIDSGSA-N 1 2 375.806 3.665 20 30 GHEDLO Cc1ccc(-c2noc(CN3CC[NH+]([C@@H](C)c4ccc(C#N)cc4)CC3)n2)cc1 ZINC000172395373 856420787 /nfs/dbraw/zinc/42/07/87/856420787.db2.gz NAUJYMNELRXFDR-SFHVURJKSA-N 1 2 387.487 3.796 20 30 GHEDLO C=CCOc1c(Br)cc(C[NH+]2CC(CCOC)C2)cc1OCC ZINC000668473874 856461096 /nfs/dbraw/zinc/46/10/96/856461096.db2.gz DVOZRLAFNZZADZ-UHFFFAOYSA-N 1 2 384.314 3.881 20 30 GHEDLO N#Cc1cccc(OCCCCC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000110226328 856475619 /nfs/dbraw/zinc/47/56/19/856475619.db2.gz PPKGWGXJILSNCV-UHFFFAOYSA-N 1 2 392.503 3.809 20 30 GHEDLO CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)c(F)c3)c2C1 ZINC000427751343 856668281 /nfs/dbraw/zinc/66/82/81/856668281.db2.gz CGACDJDSOKHRKL-CQSZACIVSA-N 1 2 387.480 3.858 20 30 GHEDLO CC(C)[C@@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)c(F)c3)c2C1 ZINC000427751343 856668286 /nfs/dbraw/zinc/66/82/86/856668286.db2.gz CGACDJDSOKHRKL-CQSZACIVSA-N 1 2 387.480 3.858 20 30 GHEDLO C[C@@H](NC(=O)[C@H](C)O[NH+]=C(N)c1ccc(F)cc1)c1ccc2c(c1)CCCC2 ZINC000733304188 862848744 /nfs/dbraw/zinc/84/87/44/862848744.db2.gz GMYXNLGXPPWZRB-CABCVRRESA-N 1 2 383.467 3.607 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)CCc2ccc(C#N)cc2)[C@H](C)C1 ZINC000508303536 857163540 /nfs/dbraw/zinc/16/35/40/857163540.db2.gz WECQLZFWMLIVIK-LJQANCHMSA-N 1 2 391.515 3.622 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)CCc2ccc(C#N)cc2)[C@H](C)C1 ZINC000508303536 857163548 /nfs/dbraw/zinc/16/35/48/857163548.db2.gz WECQLZFWMLIVIK-LJQANCHMSA-N 1 2 391.515 3.622 20 30 GHEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429246190 857186247 /nfs/dbraw/zinc/18/62/47/857186247.db2.gz FTOWHNPTLGUCLF-RBUKOAKNSA-N 1 2 394.494 3.672 20 30 GHEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429246190 857186249 /nfs/dbraw/zinc/18/62/49/857186249.db2.gz FTOWHNPTLGUCLF-RBUKOAKNSA-N 1 2 394.494 3.672 20 30 GHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CSc1ccc(C#N)cc1 ZINC000174901049 857404665 /nfs/dbraw/zinc/40/46/65/857404665.db2.gz XJAUIDZKHQHAAD-UHFFFAOYSA-N 1 2 394.544 3.810 20 30 GHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH+]2CCC(C(F)F)CC2)c1C#N ZINC000486116614 857429753 /nfs/dbraw/zinc/42/97/53/857429753.db2.gz DLEIZZQZKZZBRR-UHFFFAOYSA-N 1 2 390.434 3.534 20 30 GHEDLO C=CCC[C@@H](NC(=O)N(C)CC[NH+]1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000442278222 857691629 /nfs/dbraw/zinc/69/16/29/857691629.db2.gz SYMFKHOYOJVNJL-GOSISDBHSA-N 1 2 399.457 3.686 20 30 GHEDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCC(F)(F)CC1 ZINC000594273488 858018789 /nfs/dbraw/zinc/01/87/89/858018789.db2.gz QJADVDQATLEKKT-INIZCTEOSA-N 1 2 390.478 3.599 20 30 GHEDLO N#Cc1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1O ZINC000442896054 858216175 /nfs/dbraw/zinc/21/61/75/858216175.db2.gz FZJYOORKGDVTMX-UHFFFAOYSA-N 1 2 397.478 3.811 20 30 GHEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](Cc2cnc3ccccc3n2)CC1 ZINC000595467471 858539968 /nfs/dbraw/zinc/53/99/68/858539968.db2.gz GWDUSSJLHYYQHR-OAQYLSRUSA-N 1 2 377.879 3.666 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(c2ccon2)CC1 ZINC000595828779 858701259 /nfs/dbraw/zinc/70/12/59/858701259.db2.gz MCGZUESAXDYZHP-HNNXBMFYSA-N 1 2 384.505 3.887 20 30 GHEDLO C[C@@]1(C#N)CCN(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000596129215 858787156 /nfs/dbraw/zinc/78/71/56/858787156.db2.gz QSTFKLVKRWZTMO-APWZRJJASA-N 1 2 378.879 3.561 20 30 GHEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCCc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000596673447 858985882 /nfs/dbraw/zinc/98/58/82/858985882.db2.gz IRXGIUDKQAJSOX-ROUUACIJSA-N 1 2 392.503 3.532 20 30 GHEDLO Cc1cccc(CC2(O)CC[NH+](CC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)c1 ZINC000482948104 859002158 /nfs/dbraw/zinc/00/21/58/859002158.db2.gz LGLRVBUIUDKQSZ-UHFFFAOYSA-N 1 2 397.906 3.528 20 30 GHEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025242342 859012293 /nfs/dbraw/zinc/01/22/93/859012293.db2.gz XZFDJSAJMBTFAB-ZDUSSCGKSA-N 1 2 377.366 3.916 20 30 GHEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025242342 859012299 /nfs/dbraw/zinc/01/22/99/859012299.db2.gz XZFDJSAJMBTFAB-ZDUSSCGKSA-N 1 2 377.366 3.916 20 30 GHEDLO C=CCN1CC(=O)N(Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)C1=O ZINC000761200701 859112086 /nfs/dbraw/zinc/11/20/86/859112086.db2.gz MMDGYODXAQZBBJ-UHFFFAOYSA-N 1 2 386.455 3.549 20 30 GHEDLO Cc1cccc2[nH]c(C[NH+]3CCN(c4oc(-c5ccco5)nc4C#N)CC3)cc21 ZINC000596984528 859212709 /nfs/dbraw/zinc/21/27/09/859212709.db2.gz VCLQTGUYVPOIFJ-UHFFFAOYSA-N 1 2 387.443 3.918 20 30 GHEDLO COc1cc(C)c(C)cc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000596999625 859237144 /nfs/dbraw/zinc/23/71/44/859237144.db2.gz FJJOIULGASBRCB-UHFFFAOYSA-N 1 2 378.476 3.533 20 30 GHEDLO COc1ccc(CN2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])cc1Cl ZINC000764416010 859444313 /nfs/dbraw/zinc/44/43/13/859444313.db2.gz BVKOQOUNXLTLRI-UHFFFAOYSA-N 1 2 396.878 3.508 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)c2cc(F)c(C#N)c(F)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000597440226 859551947 /nfs/dbraw/zinc/55/19/47/859551947.db2.gz DWGRYEVRSHXWLG-ROUUACIJSA-N 1 2 393.796 3.804 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)c2cc(F)c(C#N)c(F)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000597440226 859551953 /nfs/dbraw/zinc/55/19/53/859551953.db2.gz DWGRYEVRSHXWLG-ROUUACIJSA-N 1 2 393.796 3.804 20 30 GHEDLO CC(=[NH+]Nc1cnnc2ccccc21)c1ccc(N2CCOCC2)cc1Cl ZINC000764693188 859576933 /nfs/dbraw/zinc/57/69/33/859576933.db2.gz SWXQIWXVXVKYTP-UHFFFAOYSA-N 1 2 381.867 3.956 20 30 GHEDLO Cc1nc2sccn2c1C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000474272863 859741740 /nfs/dbraw/zinc/74/17/40/859741740.db2.gz CGJSOGQVOZYAJZ-HNNXBMFYSA-N 1 2 399.495 3.611 20 30 GHEDLO Cc1nc2sccn2c1C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000474272863 859741749 /nfs/dbraw/zinc/74/17/49/859741749.db2.gz CGJSOGQVOZYAJZ-HNNXBMFYSA-N 1 2 399.495 3.611 20 30 GHEDLO N#Cc1cccc(COc2ccc(NC(=O)Cc3cn4c([nH+]3)CCCC4)cc2)c1 ZINC000593451595 859857051 /nfs/dbraw/zinc/85/70/51/859857051.db2.gz SZCFYIPHSFGBDF-UHFFFAOYSA-N 1 2 386.455 3.851 20 30 GHEDLO NC(=[NH+]OCC(=O)Nc1ccccc1Oc1ccccc1)c1ccc(F)cc1 ZINC000727486585 860113667 /nfs/dbraw/zinc/11/36/67/860113667.db2.gz NCOFWZWJDQTHSQ-UHFFFAOYSA-N 1 2 379.391 3.894 20 30 GHEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000147899761 860630249 /nfs/dbraw/zinc/63/02/49/860630249.db2.gz ZTWLMODSGICBHU-UHFFFAOYSA-N 1 2 393.422 3.992 20 30 GHEDLO CC(=O)N1CC[N@H+](CC(=O)NCCc2ccc(Cl)cc2)CC12CCCCC2 ZINC000329018169 860950853 /nfs/dbraw/zinc/95/08/53/860950853.db2.gz GZXDWQXJSWRRNI-UHFFFAOYSA-N 1 2 391.943 3.706 20 30 GHEDLO CC(=O)N1CC[N@@H+](CC(=O)NCCc2ccc(Cl)cc2)CC12CCCCC2 ZINC000329018169 860950859 /nfs/dbraw/zinc/95/08/59/860950859.db2.gz GZXDWQXJSWRRNI-UHFFFAOYSA-N 1 2 391.943 3.706 20 30 GHEDLO O=C(CCNC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]12)N1CCN(c2cccc[nH+]2)CC1 ZINC000329019336 860951653 /nfs/dbraw/zinc/95/16/53/860951653.db2.gz RXASCAVYJIIVNZ-SLFFLAALSA-N 1 2 398.551 3.683 20 30 GHEDLO COc1cc(C#N)ccc1S(=O)(=O)Nc1cccc2c1C[N@H+](CCC(C)C)C2 ZINC000185692941 861001265 /nfs/dbraw/zinc/00/12/65/861001265.db2.gz WEBUZRDGRMZZMX-UHFFFAOYSA-N 1 2 399.516 3.729 20 30 GHEDLO COc1cc(C#N)ccc1S(=O)(=O)Nc1cccc2c1C[N@@H+](CCC(C)C)C2 ZINC000185692941 861001279 /nfs/dbraw/zinc/00/12/79/861001279.db2.gz WEBUZRDGRMZZMX-UHFFFAOYSA-N 1 2 399.516 3.729 20 30 GHEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(CC(=O)Nc2sccc2C#N)CC1 ZINC000444169427 863584140 /nfs/dbraw/zinc/58/41/40/863584140.db2.gz KBFTVTLLZYRASW-AWEZNQCLSA-N 1 2 388.924 3.590 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(Nc3ccc(F)cc3)CC2)c(C#N)c1C ZINC000101561339 864118132 /nfs/dbraw/zinc/11/81/32/864118132.db2.gz YOPIQMMPUWWDCJ-CQSZACIVSA-N 1 2 384.455 3.811 20 30 GHEDLO N#Cc1ccccc1COc1cccc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)c1 ZINC000475120736 864226227 /nfs/dbraw/zinc/22/62/27/864226227.db2.gz PZJQPOORNLANLG-GOTSBHOMSA-N 1 2 390.483 3.707 20 30 GHEDLO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)c1 ZINC000475120736 864226234 /nfs/dbraw/zinc/22/62/34/864226234.db2.gz PZJQPOORNLANLG-GOTSBHOMSA-N 1 2 390.483 3.707 20 30 GHEDLO Cc1cccc(C(=O)N2CCC[N@H+](Cc3cc(Cl)ccc3OCC#N)CC2)c1 ZINC000735306181 864718500 /nfs/dbraw/zinc/71/85/00/864718500.db2.gz KELVZBPBGKACIO-UHFFFAOYSA-N 1 2 397.906 3.899 20 30 GHEDLO Cc1cccc(C(=O)N2CCC[N@@H+](Cc3cc(Cl)ccc3OCC#N)CC2)c1 ZINC000735306181 864718504 /nfs/dbraw/zinc/71/85/04/864718504.db2.gz KELVZBPBGKACIO-UHFFFAOYSA-N 1 2 397.906 3.899 20 30 GHEDLO CC(=NNC(=S)Nc1ccc(C)c(C)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735610315 864878387 /nfs/dbraw/zinc/87/83/87/864878387.db2.gz NCMLGVXSSWWIJV-OAQYLSRUSA-N 1 2 396.560 3.867 20 30 GHEDLO CC(=NNC(=S)Nc1ccc(C)c(C)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735610315 864878397 /nfs/dbraw/zinc/87/83/97/864878397.db2.gz NCMLGVXSSWWIJV-OAQYLSRUSA-N 1 2 396.560 3.867 20 30 GHEDLO C=CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccc(OC)cc1 ZINC000054271871 865583400 /nfs/dbraw/zinc/58/34/00/865583400.db2.gz AUZCLVNVCHCSRM-UHFFFAOYSA-N 1 2 389.839 3.884 20 30 GHEDLO C=CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccc(OC)cc1 ZINC000054271871 865583406 /nfs/dbraw/zinc/58/34/06/865583406.db2.gz AUZCLVNVCHCSRM-UHFFFAOYSA-N 1 2 389.839 3.884 20 30 GHEDLO O=C(N[C@H]1Cc2c[nH+]cn2C1)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000623254490 866121779 /nfs/dbraw/zinc/12/17/79/866121779.db2.gz DIHZCPBWROWHIN-NSHDSACASA-N 1 2 395.278 3.527 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc4scnc4c3)CC2)cc1 ZINC000523140612 866712524 /nfs/dbraw/zinc/71/25/24/866712524.db2.gz WHGATRKYABQSBY-UHFFFAOYSA-N 1 2 377.473 3.518 20 30 GHEDLO Cc1cccc(C2(O)CC[NH+](CC(=O)Nc3cc(Cl)ccc3C#N)CC2)c1C ZINC000741809919 866808419 /nfs/dbraw/zinc/80/84/19/866808419.db2.gz UHOUUMRZNMBUMZ-UHFFFAOYSA-N 1 2 397.906 3.751 20 30 GHEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(Nc2ccccn2)CC1 ZINC000534860814 867658845 /nfs/dbraw/zinc/65/88/45/867658845.db2.gz QRBHMEFISRARBV-CQSZACIVSA-N 1 2 383.883 3.510 20 30 GHEDLO Cc1ccc(C)c(Oc2ccc(C[NH2+][C@@H](C(N)=O)c3ccc(C#N)cc3)cn2)c1 ZINC000523735291 867870311 /nfs/dbraw/zinc/87/03/11/867870311.db2.gz FMRLQZVBEBRKMA-JOCHJYFZSA-N 1 2 386.455 3.679 20 30 GHEDLO N#Cc1cnc2ccc(OC(F)F)cc2c1NCc1cccc(-n2cc[nH+]c2)c1 ZINC000523753439 867898141 /nfs/dbraw/zinc/89/81/41/867898141.db2.gz ATSSHEHBALKPNG-UHFFFAOYSA-N 1 2 391.381 3.928 20 30 GHEDLO C=CC[N@@H+](C)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(OC)c(OC)c1 ZINC000121529003 882151704 /nfs/dbraw/zinc/15/17/04/882151704.db2.gz DRVFXCKAFWOFSA-QGZVFWFLSA-N 1 2 399.516 3.561 20 30 GHEDLO C=CC[N@H+](C)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(OC)c(OC)c1 ZINC000121529003 882151708 /nfs/dbraw/zinc/15/17/08/882151708.db2.gz DRVFXCKAFWOFSA-QGZVFWFLSA-N 1 2 399.516 3.561 20 30 GHEDLO C=CCOc1ccc(CNC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000553901690 868417318 /nfs/dbraw/zinc/41/73/18/868417318.db2.gz OLMJADTVORCSOT-IBGZPJMESA-N 1 2 394.519 3.873 20 30 GHEDLO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000743858742 868456378 /nfs/dbraw/zinc/45/63/78/868456378.db2.gz QXKCEOHDPRMICT-UHFFFAOYSA-N 1 2 397.862 3.757 20 30 GHEDLO N#CCOc1ccc(Cl)cc1C[N@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000743858742 868456389 /nfs/dbraw/zinc/45/63/89/868456389.db2.gz QXKCEOHDPRMICT-UHFFFAOYSA-N 1 2 397.862 3.757 20 30 GHEDLO Cc1cccc(C(=O)N2CCC[N@H+](Cn3ccc(-c4ccc(C#N)cc4)n3)CC2)c1 ZINC000744129569 868610114 /nfs/dbraw/zinc/61/01/14/868610114.db2.gz YMCYTLPHPQJLPL-UHFFFAOYSA-N 1 2 399.498 3.536 20 30 GHEDLO Cc1cccc(C(=O)N2CCC[N@@H+](Cn3ccc(-c4ccc(C#N)cc4)n3)CC2)c1 ZINC000744129569 868610118 /nfs/dbraw/zinc/61/01/18/868610118.db2.gz YMCYTLPHPQJLPL-UHFFFAOYSA-N 1 2 399.498 3.536 20 30 GHEDLO C#CC[N@@H+](CC(=O)N(C)c1nc2ccccc2s1)[C@H]1CCc2ccccc21 ZINC000744388005 868804699 /nfs/dbraw/zinc/80/46/99/868804699.db2.gz ILRUQMHILCLXMX-IBGZPJMESA-N 1 2 375.497 3.882 20 30 GHEDLO C#CC[N@H+](CC(=O)N(C)c1nc2ccccc2s1)[C@H]1CCc2ccccc21 ZINC000744388005 868804715 /nfs/dbraw/zinc/80/47/15/868804715.db2.gz ILRUQMHILCLXMX-IBGZPJMESA-N 1 2 375.497 3.882 20 30 GHEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)c2ccccc2OC(F)F)CC1 ZINC000183981291 868859886 /nfs/dbraw/zinc/85/98/86/868859886.db2.gz URLWSTKVIRZESY-OAHLLOKOSA-N 1 2 385.414 3.679 20 30 GHEDLO Cc1ccc2cccc(NC(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)c2n1 ZINC000524601282 869328250 /nfs/dbraw/zinc/32/82/50/869328250.db2.gz FFHRWDPUGNIVES-UHFFFAOYSA-N 1 2 385.471 3.765 20 30 GHEDLO C#CC[N@@H+](CC)CC(=O)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1 ZINC000746457584 870755688 /nfs/dbraw/zinc/75/56/88/870755688.db2.gz JXFCGPITRAUHMW-GOSISDBHSA-N 1 2 375.428 3.659 20 30 GHEDLO C#CC[N@H+](CC)CC(=O)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1 ZINC000746457584 870755694 /nfs/dbraw/zinc/75/56/94/870755694.db2.gz JXFCGPITRAUHMW-GOSISDBHSA-N 1 2 375.428 3.659 20 30 GHEDLO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000618668193 871815495 /nfs/dbraw/zinc/81/54/95/871815495.db2.gz SBDHPQYCTATFQG-GOSISDBHSA-N 1 2 381.505 3.810 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc(C#N)c1 ZINC000463594698 872118010 /nfs/dbraw/zinc/11/80/10/872118010.db2.gz VXRVBWMDNBYGDZ-KURKYZTESA-N 1 2 377.488 3.910 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000552403315 872621029 /nfs/dbraw/zinc/62/10/29/872621029.db2.gz CHYIJJFXBRITJF-VQTJNVASSA-N 1 2 399.416 3.569 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000552403315 872621034 /nfs/dbraw/zinc/62/10/34/872621034.db2.gz CHYIJJFXBRITJF-VQTJNVASSA-N 1 2 399.416 3.569 20 30 GHEDLO CC[C@H]1c2ccc(OC)c(OC)c2CC[N@H+]1Cc1cccc(C(=O)OC)c1C#N ZINC001195787685 872662442 /nfs/dbraw/zinc/66/24/42/872662442.db2.gz BOHQUOBYWAHATL-FQEVSTJZSA-N 1 2 394.471 3.871 20 30 GHEDLO CC[C@H]1c2ccc(OC)c(OC)c2CC[N@@H+]1Cc1cccc(C(=O)OC)c1C#N ZINC001195787685 872662448 /nfs/dbraw/zinc/66/24/48/872662448.db2.gz BOHQUOBYWAHATL-FQEVSTJZSA-N 1 2 394.471 3.871 20 30 GHEDLO CC(C)(C)OC(=O)Nc1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)cn1 ZINC000768241625 873166933 /nfs/dbraw/zinc/16/69/33/873166933.db2.gz YYGOAWLIAQAKRM-UHFFFAOYSA-N 1 2 393.491 3.622 20 30 GHEDLO Cc1nc([C@H]2CCC[N@@H+]2Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)cs1 ZINC000775729156 873242656 /nfs/dbraw/zinc/24/26/56/873242656.db2.gz CTRJWGZKRYSKLL-MAUKXSAKSA-N 1 2 389.484 3.826 20 30 GHEDLO Cc1nc([C@H]2CCC[N@H+]2Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)cs1 ZINC000775729156 873242667 /nfs/dbraw/zinc/24/26/67/873242667.db2.gz CTRJWGZKRYSKLL-MAUKXSAKSA-N 1 2 389.484 3.826 20 30 GHEDLO C=CC[NH+]1CCN(C(=O)c2cncc(-c3ccc(OC(F)(F)F)cc3)c2)CC1 ZINC001196809403 873376343 /nfs/dbraw/zinc/37/63/43/873376343.db2.gz UFCHMDYCGNNLOR-UHFFFAOYSA-N 1 2 391.393 3.591 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(OC)c(OCC(C)C)c2)c1 ZINC000768916216 873684651 /nfs/dbraw/zinc/68/46/51/873684651.db2.gz VYNKJMQNEJFLKE-UHFFFAOYSA-N 1 2 380.488 3.782 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(OC)c(OCC(C)C)c2)c1 ZINC000768916216 873684663 /nfs/dbraw/zinc/68/46/63/873684663.db2.gz VYNKJMQNEJFLKE-UHFFFAOYSA-N 1 2 380.488 3.782 20 30 GHEDLO N#Cc1csc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)c1 ZINC000769318362 873964344 /nfs/dbraw/zinc/96/43/44/873964344.db2.gz WOGWNIWCRNLXIV-UHFFFAOYSA-N 1 2 396.394 3.869 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858048515 882786872 /nfs/dbraw/zinc/78/68/72/882786872.db2.gz AOQFOKIDHXNYBS-SFHVURJKSA-N 1 2 396.878 3.576 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858048515 882786884 /nfs/dbraw/zinc/78/68/84/882786884.db2.gz AOQFOKIDHXNYBS-SFHVURJKSA-N 1 2 396.878 3.576 20 30 GHEDLO CCc1cc2c(C[N@@H+]3CCO[C@H](c4ccc(C#N)cc4)C3)cc(=O)oc2cc1O ZINC001198219519 874279744 /nfs/dbraw/zinc/27/97/44/874279744.db2.gz PFKGJDOWRCJKID-QFIPXVFZSA-N 1 2 390.439 3.506 20 30 GHEDLO CCc1cc2c(C[N@H+]3CCO[C@H](c4ccc(C#N)cc4)C3)cc(=O)oc2cc1O ZINC001198219519 874279749 /nfs/dbraw/zinc/27/97/49/874279749.db2.gz PFKGJDOWRCJKID-QFIPXVFZSA-N 1 2 390.439 3.506 20 30 GHEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000769900011 874330927 /nfs/dbraw/zinc/33/09/27/874330927.db2.gz OPRHDKXJPKLXQM-BDNFTIQKSA-N 1 2 396.453 3.502 20 30 GHEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000769900011 874330936 /nfs/dbraw/zinc/33/09/36/874330936.db2.gz OPRHDKXJPKLXQM-BDNFTIQKSA-N 1 2 396.453 3.502 20 30 GHEDLO C[C@H](C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000449049181 874418772 /nfs/dbraw/zinc/41/87/72/874418772.db2.gz RCUWLILEMGTJKD-WTNAPCKOSA-N 1 2 382.529 3.965 20 30 GHEDLO C[C@H](C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000449049181 874418782 /nfs/dbraw/zinc/41/87/82/874418782.db2.gz RCUWLILEMGTJKD-WTNAPCKOSA-N 1 2 382.529 3.965 20 30 GHEDLO CC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000464823592 874582934 /nfs/dbraw/zinc/58/29/34/874582934.db2.gz QOQVCTGZHSKYMF-YADHBBJMSA-N 1 2 375.472 3.990 20 30 GHEDLO CC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000464823592 874582945 /nfs/dbraw/zinc/58/29/45/874582945.db2.gz QOQVCTGZHSKYMF-YADHBBJMSA-N 1 2 375.472 3.990 20 30 GHEDLO N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)cc2F)c1 ZINC000152127253 876921877 /nfs/dbraw/zinc/92/18/77/876921877.db2.gz UTQQULHUKUNBQM-QGZVFWFLSA-N 1 2 390.418 3.674 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@H+]2CCCC[C@@H]2[C@H](O)C(F)(F)F)c1 ZINC000492584448 877128747 /nfs/dbraw/zinc/12/87/47/877128747.db2.gz VIBBXEOAZCPSBM-KGLIPLIRSA-N 1 2 377.204 3.598 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCCC[C@@H]2[C@H](O)C(F)(F)F)c1 ZINC000492584448 877128754 /nfs/dbraw/zinc/12/87/54/877128754.db2.gz VIBBXEOAZCPSBM-KGLIPLIRSA-N 1 2 377.204 3.598 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@H+]2CCCC[C@H]2[C@H](O)C(F)(F)F)c1 ZINC000492584440 877129306 /nfs/dbraw/zinc/12/93/06/877129306.db2.gz VIBBXEOAZCPSBM-KBPBESRZSA-N 1 2 377.204 3.598 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCCC[C@H]2[C@H](O)C(F)(F)F)c1 ZINC000492584440 877129314 /nfs/dbraw/zinc/12/93/14/877129314.db2.gz VIBBXEOAZCPSBM-KBPBESRZSA-N 1 2 377.204 3.598 20 30 GHEDLO C#CCOc1ccc(C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)cc1 ZINC000788244164 877945783 /nfs/dbraw/zinc/94/57/83/877945783.db2.gz ADOGCBIPDZZAFO-GOSISDBHSA-N 1 2 377.488 3.757 20 30 GHEDLO C#CCOc1ccc(C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)cc1 ZINC000788244164 877945791 /nfs/dbraw/zinc/94/57/91/877945791.db2.gz ADOGCBIPDZZAFO-GOSISDBHSA-N 1 2 377.488 3.757 20 30 GHEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(F)(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000451529278 878058593 /nfs/dbraw/zinc/05/85/93/878058593.db2.gz NDDSTURAPAVOQA-IBGZPJMESA-N 1 2 385.870 3.785 20 30 GHEDLO CC(C)Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)cc1C#N ZINC001127264709 878377048 /nfs/dbraw/zinc/37/70/48/878377048.db2.gz MGOZTEHZIVKPKX-UHFFFAOYSA-N 1 2 391.387 3.692 20 30 GHEDLO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000451877844 878611550 /nfs/dbraw/zinc/61/15/50/878611550.db2.gz FFDYQXXRRZKBIC-LBPRGKRZSA-N 1 2 390.247 3.637 20 30 GHEDLO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000451877844 878611560 /nfs/dbraw/zinc/61/15/60/878611560.db2.gz FFDYQXXRRZKBIC-LBPRGKRZSA-N 1 2 390.247 3.637 20 30 GHEDLO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3c(Cl)cncc3Cl)C2)C1 ZINC001137603353 878772851 /nfs/dbraw/zinc/77/28/51/878772851.db2.gz KSZIVAOGNRTFIT-GOSISDBHSA-N 1 2 384.307 3.999 20 30 GHEDLO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](Cc3c(Cl)cncc3Cl)C2)C1 ZINC001137603353 878772869 /nfs/dbraw/zinc/77/28/69/878772869.db2.gz KSZIVAOGNRTFIT-GOSISDBHSA-N 1 2 384.307 3.999 20 30 GHEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180509429 878975237 /nfs/dbraw/zinc/97/52/37/878975237.db2.gz GSUGORVJVFNDAP-AWEZNQCLSA-N 1 2 375.394 3.871 20 30 GHEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180509429 878975243 /nfs/dbraw/zinc/97/52/43/878975243.db2.gz GSUGORVJVFNDAP-AWEZNQCLSA-N 1 2 375.394 3.871 20 30 GHEDLO N#Cc1c(F)cccc1S(=O)(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000790425217 879706220 /nfs/dbraw/zinc/70/62/20/879706220.db2.gz ZCPRSOJKCPPJPC-UHFFFAOYSA-N 1 2 397.431 3.665 20 30 GHEDLO Cc1cc(C)c2ncc(C#N)c(NC[C@@H](c3ccccc3)[NH+]3CCOCC3)c2c1 ZINC000461459890 879873370 /nfs/dbraw/zinc/87/33/70/879873370.db2.gz HJNSTWDFSOZPAG-QFIPXVFZSA-N 1 2 386.499 3.631 20 30 GHEDLO CC1(C)OCc2cc(C[NH+]3CCN([C@@H](C#N)c4ccccc4)CC3)ccc2O1 ZINC000186248292 880830180 /nfs/dbraw/zinc/83/01/80/880830180.db2.gz OKBNGRQKVPBITO-NRFANRHFSA-N 1 2 377.488 3.714 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000453470116 880981545 /nfs/dbraw/zinc/98/15/45/880981545.db2.gz ZJEXMKKKYKQVCA-HXUWFJFHSA-N 1 2 399.514 3.557 20 30 GHEDLO CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000113972146 881019366 /nfs/dbraw/zinc/01/93/66/881019366.db2.gz OYFYLTAFXWJOHH-LJQANCHMSA-N 1 2 389.459 3.553 20 30 GHEDLO CN(c1ccccc1)C1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000195191061 881199475 /nfs/dbraw/zinc/19/94/75/881199475.db2.gz AUNFWMOQTDYXMC-UHFFFAOYSA-N 1 2 382.895 3.751 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000476532953 881324260 /nfs/dbraw/zinc/32/42/60/881324260.db2.gz KBIOOLIAVIFSDL-UXHICEINSA-N 1 2 383.442 3.941 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000476532953 881324280 /nfs/dbraw/zinc/32/42/80/881324280.db2.gz KBIOOLIAVIFSDL-UXHICEINSA-N 1 2 383.442 3.941 20 30 GHEDLO N#C[C@H](NC(=O)c1cccc2[nH+]ccn21)c1ccc(OCc2ccccc2)cc1 ZINC000777096385 883688973 /nfs/dbraw/zinc/68/89/73/883688973.db2.gz DKSJIAJBCSLLGL-FQEVSTJZSA-N 1 2 382.423 3.908 20 30 GHEDLO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000805241442 884208337 /nfs/dbraw/zinc/20/83/37/884208337.db2.gz NRDNSMODLWIQOD-COPCDDAFSA-N 1 2 397.469 3.644 20 30 GHEDLO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000805241442 884208359 /nfs/dbraw/zinc/20/83/59/884208359.db2.gz NRDNSMODLWIQOD-COPCDDAFSA-N 1 2 397.469 3.644 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)N1CCO[C@H](c2ccccc2)C1 ZINC001183831158 912836688 /nfs/dbraw/zinc/83/66/88/912836688.db2.gz LSCQXEFTAUTEGW-GOTSBHOMSA-N 1 2 389.499 3.513 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)N1CCO[C@H](c2ccccc2)C1 ZINC001183831158 912836704 /nfs/dbraw/zinc/83/67/04/912836704.db2.gz LSCQXEFTAUTEGW-GOTSBHOMSA-N 1 2 389.499 3.513 20 30 GHEDLO CC1(C)OCCC12CCN(C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N)CC2 ZINC001183834850 912838941 /nfs/dbraw/zinc/83/89/41/912838941.db2.gz IQHVZGSWIJSBPZ-NRFANRHFSA-N 1 2 395.547 3.720 20 30 GHEDLO CC1(C)OCCC12CCN(C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N)CC2 ZINC001183834850 912838971 /nfs/dbraw/zinc/83/89/71/912838971.db2.gz IQHVZGSWIJSBPZ-NRFANRHFSA-N 1 2 395.547 3.720 20 30 GHEDLO C#CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000807046076 885175902 /nfs/dbraw/zinc/17/59/02/885175902.db2.gz OMCLSGBBGQMQSP-SFTDATJTSA-N 1 2 383.442 3.555 20 30 GHEDLO C#CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000807046076 885175910 /nfs/dbraw/zinc/17/59/10/885175910.db2.gz OMCLSGBBGQMQSP-SFTDATJTSA-N 1 2 383.442 3.555 20 30 GHEDLO COc1cccc(C2CC[NH+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)CC2)c1 ZINC000194877677 885295112 /nfs/dbraw/zinc/29/51/12/885295112.db2.gz CCRMODXQSMIYEO-HNNXBMFYSA-N 1 2 381.476 3.983 20 30 GHEDLO N#Cc1ccccc1OC1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000110534537 886018979 /nfs/dbraw/zinc/01/89/79/886018979.db2.gz XZSMDKGONFMSFE-UHFFFAOYSA-N 1 2 386.455 3.864 20 30 GHEDLO CC(C)[C@@H](C(=O)N(O)Cc1cc(Cl)cc(Cl)c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001184235715 913092343 /nfs/dbraw/zinc/09/23/43/913092343.db2.gz NGONIMLFOBQOHK-XNJGSVPQSA-N 1 2 389.323 3.845 20 30 GHEDLO C[C@H]([C@H](C)NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[NH+]1CCOCC1 ZINC000105016781 887226138 /nfs/dbraw/zinc/22/61/38/887226138.db2.gz WXDIQEZDZFVGHE-DLBZAZTESA-N 1 2 394.475 3.581 20 30 GHEDLO Cn1c(CC#N)nn(C[N@H+](CCc2ccccc2)Cc2ccccc2)c1=S ZINC000794620585 887686216 /nfs/dbraw/zinc/68/62/16/887686216.db2.gz QSJXWFJXCAYIIO-UHFFFAOYSA-N 1 2 377.517 3.720 20 30 GHEDLO Cn1c(CC#N)nn(C[N@@H+](CCc2ccccc2)Cc2ccccc2)c1=S ZINC000794620585 887686221 /nfs/dbraw/zinc/68/62/21/887686221.db2.gz QSJXWFJXCAYIIO-UHFFFAOYSA-N 1 2 377.517 3.720 20 30 GHEDLO C=CC[NH+]1CCN(C(=O)Cc2c(Cl)cc(C(F)(F)F)cc2Cl)CC1 ZINC001184468161 913239857 /nfs/dbraw/zinc/23/98/57/913239857.db2.gz OTHYLLGUNFMVHL-UHFFFAOYSA-N 1 2 381.225 3.885 20 30 GHEDLO C[C@@H]1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)C[C@@H]1n1cc[nH+]c1 ZINC000287328632 913265949 /nfs/dbraw/zinc/26/59/49/913265949.db2.gz VRROXFNKGQZOQX-WBMJQRKESA-N 1 2 388.269 3.632 20 30 GHEDLO COc1ccc(C(N)=[NH+]OCc2nc(-c3c(F)cccc3F)cs2)cc1 ZINC000774757742 913309213 /nfs/dbraw/zinc/30/92/13/913309213.db2.gz OCHUXWNCKKQHDZ-UHFFFAOYSA-N 1 2 375.400 3.934 20 30 GHEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCc2ccc(C#N)c(F)c2)C[C@@H](C)O1 ZINC000454497735 889139077 /nfs/dbraw/zinc/13/90/77/889139077.db2.gz CYOGIQCVOUGNNB-HZPDHXFCSA-N 1 2 396.466 3.628 20 30 GHEDLO C=CCCCCC[N@H+]1C[C@]2(F)CN(C[C@H](C)CC(F)(F)F)C(=O)[C@]2(F)C1 ZINC001275328696 913388443 /nfs/dbraw/zinc/38/84/43/913388443.db2.gz AXHQURMNCWLGGE-HYVNUMGLSA-N 1 2 382.417 3.896 20 30 GHEDLO C=CCCCCC[N@@H+]1C[C@]2(F)CN(C[C@H](C)CC(F)(F)F)C(=O)[C@]2(F)C1 ZINC001275328696 913388465 /nfs/dbraw/zinc/38/84/65/913388465.db2.gz AXHQURMNCWLGGE-HYVNUMGLSA-N 1 2 382.417 3.896 20 30 GHEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCOC[C@H]1c1ccccc1)CCC2 ZINC000533448283 890612152 /nfs/dbraw/zinc/61/21/52/890612152.db2.gz NRWPNGIIHMOQGH-SFHVURJKSA-N 1 2 381.501 3.511 20 30 GHEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCOC[C@H]1c1ccccc1)CCC2 ZINC000533448283 890612157 /nfs/dbraw/zinc/61/21/57/890612157.db2.gz NRWPNGIIHMOQGH-SFHVURJKSA-N 1 2 381.501 3.511 20 30 GHEDLO FC(F)(F)CO[C@@H]1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000533478258 890674527 /nfs/dbraw/zinc/67/45/27/890674527.db2.gz NEMMAHVNGBTPDY-OAHLLOKOSA-N 1 2 381.316 3.980 20 30 GHEDLO FC(F)(F)CO[C@@H]1CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000533478258 890674540 /nfs/dbraw/zinc/67/45/40/890674540.db2.gz NEMMAHVNGBTPDY-OAHLLOKOSA-N 1 2 381.316 3.980 20 30 GHEDLO C=CCC(F)(F)C(=O)NN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000814802519 893187329 /nfs/dbraw/zinc/18/73/29/893187329.db2.gz LHNTYDLNCLAYDE-UHFFFAOYSA-N 1 2 385.458 3.636 20 30 GHEDLO Cc1ccc([C@H]([NH2+]C[C@H](C#N)CCC#N)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000562994005 893254331 /nfs/dbraw/zinc/25/43/31/893254331.db2.gz SYJMTSAXCUCMEY-PGRDOPGGSA-N 1 2 395.528 3.830 20 30 GHEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CC[C@@H](O)[C@H]3c3ccc(Cl)cc3)C2=O)cc1 ZINC000563023287 893290564 /nfs/dbraw/zinc/29/05/64/893290564.db2.gz ZSJSZJUORBOWPN-NJDAHSKKSA-N 1 2 395.890 3.515 20 30 GHEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CC[C@@H](O)[C@H]3c3ccc(Cl)cc3)C2=O)cc1 ZINC000563023287 893290572 /nfs/dbraw/zinc/29/05/72/893290572.db2.gz ZSJSZJUORBOWPN-NJDAHSKKSA-N 1 2 395.890 3.515 20 30 GHEDLO CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000498115628 893317658 /nfs/dbraw/zinc/31/76/58/893317658.db2.gz DMWROBSYAMYTGW-FUHWJXTLSA-N 1 2 375.831 3.898 20 30 GHEDLO CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000498115628 893317677 /nfs/dbraw/zinc/31/76/77/893317677.db2.gz DMWROBSYAMYTGW-FUHWJXTLSA-N 1 2 375.831 3.898 20 30 GHEDLO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000778231791 893482920 /nfs/dbraw/zinc/48/29/20/893482920.db2.gz DQMRMCQYLDQFPX-UHFFFAOYSA-N 1 2 378.863 3.986 20 30 GHEDLO N#CCOc1ccc(Cl)cc1C[N@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000778231791 893482924 /nfs/dbraw/zinc/48/29/24/893482924.db2.gz DQMRMCQYLDQFPX-UHFFFAOYSA-N 1 2 378.863 3.986 20 30 GHEDLO C#CCC[NH+]1CCN(C(=O)c2sc3ccc(Br)cc3c2C)CC1 ZINC000815186713 893532446 /nfs/dbraw/zinc/53/24/46/893532446.db2.gz WZRULJCPCMDJPL-UHFFFAOYSA-N 1 2 391.334 3.753 20 30 GHEDLO N#CCOc1ccc(CN2CC[N@@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)cc1 ZINC001137124191 893717514 /nfs/dbraw/zinc/71/75/14/893717514.db2.gz UKAITXCSLIBDNH-HXUWFJFHSA-N 1 2 389.421 3.838 20 30 GHEDLO N#CCOc1ccc(CN2CC[N@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)cc1 ZINC001137124191 893717523 /nfs/dbraw/zinc/71/75/23/893717523.db2.gz UKAITXCSLIBDNH-HXUWFJFHSA-N 1 2 389.421 3.838 20 30 GHEDLO Cc1nsc(N2CC[NH+](Cc3ccccc3Oc3cccnc3)CC2)c1C#N ZINC000563571314 893920297 /nfs/dbraw/zinc/92/02/97/893920297.db2.gz BARJYHYQILFGBH-UHFFFAOYSA-N 1 2 391.500 3.833 20 30 GHEDLO CC(=O)[C@](C#N)(CC[N@@H+](C)[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000878271294 894143815 /nfs/dbraw/zinc/14/38/15/894143815.db2.gz DARAPQCTZSIYBV-BJKOFHAPSA-N 1 2 375.516 3.633 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)C2(C#N)CCSCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000935234427 894299581 /nfs/dbraw/zinc/29/95/81/894299581.db2.gz COBCFFAKWKRANE-IRXDYDNUSA-N 1 2 395.931 3.768 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)C2(C#N)CCSCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000935234427 894299598 /nfs/dbraw/zinc/29/95/98/894299598.db2.gz COBCFFAKWKRANE-IRXDYDNUSA-N 1 2 395.931 3.768 20 30 GHEDLO Cc1nsc(N2CC[NH+](Cc3cccc(OCC(F)(F)F)c3)CC2)c1C#N ZINC000564397409 894934872 /nfs/dbraw/zinc/93/48/72/894934872.db2.gz MZZPSHVDMWVJOI-UHFFFAOYSA-N 1 2 396.438 3.587 20 30 GHEDLO CCC[N@H+](Cc1cnc2c(C#N)cnn2c1)Cc1ccccc1Br ZINC000564988861 895340485 /nfs/dbraw/zinc/34/04/85/895340485.db2.gz OKQYXAIQUPGVJQ-UHFFFAOYSA-N 1 2 384.281 3.776 20 30 GHEDLO CCC[N@@H+](Cc1cnc2c(C#N)cnn2c1)Cc1ccccc1Br ZINC000564988861 895340499 /nfs/dbraw/zinc/34/04/99/895340499.db2.gz OKQYXAIQUPGVJQ-UHFFFAOYSA-N 1 2 384.281 3.776 20 30 GHEDLO CC(C)(C(=O)OCc1cccc(C[NH+]2CCOCC2)c1)c1cc(F)cc(C#N)c1 ZINC000817188696 895353477 /nfs/dbraw/zinc/35/34/77/895353477.db2.gz YARPNIOTRVDMGZ-UHFFFAOYSA-N 1 2 396.462 3.551 20 30 GHEDLO Cc1cc(C(=O)C[N@@H+]2CCc3c(CC#N)cccc3C2)c(C)n1CC(F)(F)F ZINC000626130315 895629185 /nfs/dbraw/zinc/62/91/85/895629185.db2.gz PXZOTKJPAFGBSP-UHFFFAOYSA-N 1 2 389.421 3.974 20 30 GHEDLO Cc1cc(C(=O)C[N@H+]2CCc3c(CC#N)cccc3C2)c(C)n1CC(F)(F)F ZINC000626130315 895629195 /nfs/dbraw/zinc/62/91/95/895629195.db2.gz PXZOTKJPAFGBSP-UHFFFAOYSA-N 1 2 389.421 3.974 20 30 GHEDLO CS(=O)(=O)c1cccc([C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)c2cc(F)ccc2F)c1 ZINC000566096028 896104254 /nfs/dbraw/zinc/10/42/54/896104254.db2.gz QNKXXOYWFSSYCZ-GQWAEJPESA-N 1 2 390.455 3.740 20 30 GHEDLO C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC(n3cc[nH+]c3)CC2)s1 ZINC000819200561 896471929 /nfs/dbraw/zinc/47/19/29/896471929.db2.gz QLYSJSNTNPVFNZ-UHFFFAOYSA-N 1 2 396.969 3.899 20 30 GHEDLO N#Cc1cccc(-n2ccc(-c3nc(-c4cccc(Cn5cc[nH+]c5)c4)no3)n2)c1 ZINC000567198930 896961419 /nfs/dbraw/zinc/96/14/19/896961419.db2.gz ITEYVJGQTYXWPD-UHFFFAOYSA-N 1 2 393.410 3.706 20 30 GHEDLO CC(C)n1c[nH+]cc1CN=Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000819801809 897008737 /nfs/dbraw/zinc/00/87/37/897008737.db2.gz YRQQRBHBUFQSQH-UHFFFAOYSA-N 1 2 386.290 3.745 20 30 GHEDLO C#CC[N@H+]1CCCN(C(=O)[C@@H](Sc2ccc(F)cc2)c2ccccc2)CC1 ZINC001136862877 899549380 /nfs/dbraw/zinc/54/93/80/899549380.db2.gz FYZVWYXPIMZBOS-NRFANRHFSA-N 1 2 382.504 3.827 20 30 GHEDLO C#CC[N@@H+]1CCCN(C(=O)[C@@H](Sc2ccc(F)cc2)c2ccccc2)CC1 ZINC001136862877 899549395 /nfs/dbraw/zinc/54/93/95/899549395.db2.gz FYZVWYXPIMZBOS-NRFANRHFSA-N 1 2 382.504 3.827 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1=S ZINC000884482876 900127855 /nfs/dbraw/zinc/12/78/55/900127855.db2.gz JAIJRZFQGAGKIJ-SJLPKXTDSA-N 1 2 388.512 3.865 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1=S ZINC000884482876 900127864 /nfs/dbraw/zinc/12/78/64/900127864.db2.gz JAIJRZFQGAGKIJ-SJLPKXTDSA-N 1 2 388.512 3.865 20 30 GHEDLO N#Cc1cccc(Cl)c1C[NH+]1CCC2(C[C@@H](c3ccccc3)C(=O)N2)CC1 ZINC001143723290 900442380 /nfs/dbraw/zinc/44/23/80/900442380.db2.gz OYUYZMUCHKXTIM-SFHVURJKSA-N 1 2 379.891 3.850 20 30 GHEDLO N#Cc1cccc(Cl)c1C[N@H+]1CCCN(c2nccc(C(F)(F)F)n2)CC1 ZINC001143726369 900448237 /nfs/dbraw/zinc/44/82/37/900448237.db2.gz NXJWNEQTIOETER-UHFFFAOYSA-N 1 2 395.816 3.733 20 30 GHEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CCCN(c2nccc(C(F)(F)F)n2)CC1 ZINC001143726369 900448240 /nfs/dbraw/zinc/44/82/40/900448240.db2.gz NXJWNEQTIOETER-UHFFFAOYSA-N 1 2 395.816 3.733 20 30 GHEDLO COc1cccc(C(=O)NC2CC[NH+](Cc3c(Cl)cccc3C#N)CC2)c1 ZINC001143731756 900454614 /nfs/dbraw/zinc/45/46/14/900454614.db2.gz DKBAEROBLSVINX-UHFFFAOYSA-N 1 2 383.879 3.615 20 30 GHEDLO N#Cc1ccnc(Sc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)c1Cl ZINC000574351768 900856593 /nfs/dbraw/zinc/85/65/93/900856593.db2.gz GOFPKSHVVYVRCO-UHFFFAOYSA-N 1 2 396.907 3.934 20 30 GHEDLO N#Cc1cncc(C[NH+]2CCC(C(=O)c3ccc(Br)cc3)CC2)c1 ZINC001144079332 901047358 /nfs/dbraw/zinc/04/73/58/901047358.db2.gz JHTRTKNEWWBPGT-UHFFFAOYSA-N 1 2 384.277 3.811 20 30 GHEDLO COc1ccc(C[NH+]2CCN([C@H](C)c3cccnc3)CC2)cc1OCCCC#N ZINC000093413552 901546921 /nfs/dbraw/zinc/54/69/21/901546921.db2.gz ZNIYCDHUZFRIHT-LJQANCHMSA-N 1 2 394.519 3.652 20 30 GHEDLO COC(=O)c1ncc(NC(=[NH2+])c2ccc3cc(O)ccc3c2)cc1C(F)(F)F ZINC001171184634 902183997 /nfs/dbraw/zinc/18/39/97/902183997.db2.gz OMDAKBWBFPLFIQ-UHFFFAOYSA-N 1 2 389.333 3.783 20 30 GHEDLO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3cc(F)c(O)cc3F)CC2)C1 ZINC001144646602 902551582 /nfs/dbraw/zinc/55/15/82/902551582.db2.gz DAPKWKCBGCTJAF-UHFFFAOYSA-N 1 2 380.435 3.671 20 30 GHEDLO C=CCCCCCCCCC(=O)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001144795958 902934731 /nfs/dbraw/zinc/93/47/31/902934731.db2.gz SPNIJBVTXFNRRQ-UHFFFAOYSA-N 1 2 384.528 3.562 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cn2)C[C@H]1c1ccccc1F ZINC000846996758 903376237 /nfs/dbraw/zinc/37/62/37/903376237.db2.gz RHMKSVZUOCAJQR-AZUAARDMSA-N 1 2 396.466 3.585 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cn2)C[C@H]1c1ccccc1F ZINC000846996758 903376253 /nfs/dbraw/zinc/37/62/53/903376253.db2.gz RHMKSVZUOCAJQR-AZUAARDMSA-N 1 2 396.466 3.585 20 30 GHEDLO O=C(Cc1ccc(-n2cc[nH+]c2)cc1)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC001137246565 903907777 /nfs/dbraw/zinc/90/77/77/903907777.db2.gz GMXRJKSCHPNXFB-UHFFFAOYSA-N 1 2 383.373 3.602 20 30 GHEDLO CC(C)Oc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1C#N ZINC001148769648 904206066 /nfs/dbraw/zinc/20/60/66/904206066.db2.gz UFISYYNNBIHBDK-RMKNXTFCSA-N 1 2 389.499 3.817 20 30 GHEDLO C=C[C@@H]1C[C@]1([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C1)C(=O)OCC ZINC001171588669 904815879 /nfs/dbraw/zinc/81/58/79/904815879.db2.gz HFKVSDQYSCKKNO-DBHNTLKXSA-N 1 2 394.556 3.898 20 30 GHEDLO Cc1cc(Br)cc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 ZINC000775063581 914876770 /nfs/dbraw/zinc/87/67/70/914876770.db2.gz UHLFMTLNQUHWMR-GDBMZVCRSA-N 1 2 394.313 3.606 20 30 GHEDLO C=CCOc1c(Cl)cc(CN2CC[NH+](Cc3ccccn3)CC2)cc1OC ZINC000628125372 905973888 /nfs/dbraw/zinc/97/38/88/905973888.db2.gz WOXLSTLOWMRPKS-UHFFFAOYSA-N 1 2 387.911 3.626 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CCC[C@H](c3nnc(C)[nH]3)C2)cc1OC ZINC000628190321 906003441 /nfs/dbraw/zinc/00/34/41/906003441.db2.gz CBOXIEBPDGETSM-HNNXBMFYSA-N 1 2 376.888 3.720 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@H+]2CCC[C@H](c3nnc(C)[nH]3)C2)cc1OC ZINC000628190321 906003459 /nfs/dbraw/zinc/00/34/59/906003459.db2.gz CBOXIEBPDGETSM-HNNXBMFYSA-N 1 2 376.888 3.720 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CCC[C@H](c3nc(C)n[nH]3)C2)cc1OC ZINC000628190321 906003484 /nfs/dbraw/zinc/00/34/84/906003484.db2.gz CBOXIEBPDGETSM-HNNXBMFYSA-N 1 2 376.888 3.720 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@H+]2CCC[C@H](c3nc(C)n[nH]3)C2)cc1OC ZINC000628190321 906003500 /nfs/dbraw/zinc/00/35/00/906003500.db2.gz CBOXIEBPDGETSM-HNNXBMFYSA-N 1 2 376.888 3.720 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CCC[C@H](c3n[nH]c(C)n3)C2)cc1OC ZINC000628190321 906003519 /nfs/dbraw/zinc/00/35/19/906003519.db2.gz CBOXIEBPDGETSM-HNNXBMFYSA-N 1 2 376.888 3.720 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@H+]2CCC[C@H](c3n[nH]c(C)n3)C2)cc1OC ZINC000628190321 906003536 /nfs/dbraw/zinc/00/35/36/906003536.db2.gz CBOXIEBPDGETSM-HNNXBMFYSA-N 1 2 376.888 3.720 20 30 GHEDLO N#CCC[N@H+](Cc1cccnc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001173416886 906445648 /nfs/dbraw/zinc/44/56/48/906445648.db2.gz DKDZXCDGYTYJSU-UHFFFAOYSA-N 1 2 382.895 3.755 20 30 GHEDLO N#CCC[N@@H+](Cc1cccnc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001173416886 906445657 /nfs/dbraw/zinc/44/56/57/906445657.db2.gz DKDZXCDGYTYJSU-UHFFFAOYSA-N 1 2 382.895 3.755 20 30 GHEDLO CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3cccc(C#N)c3)c[nH+]2)CC1 ZINC001174453908 907060265 /nfs/dbraw/zinc/06/02/65/907060265.db2.gz STTOUTFBMCSDMK-UHFFFAOYSA-N 1 2 379.464 3.754 20 30 GHEDLO C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000184125384 907520725 /nfs/dbraw/zinc/52/07/25/907520725.db2.gz FAASDOJHRSENME-HZPDHXFCSA-N 1 2 384.505 3.950 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H]1COc1ccc(F)cc1 ZINC001176534128 908161841 /nfs/dbraw/zinc/16/18/41/908161841.db2.gz WBJJYNKZEXKERV-KRWDZBQOSA-N 1 2 387.842 3.833 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H]1COc1ccc(F)cc1 ZINC001176534128 908161848 /nfs/dbraw/zinc/16/18/48/908161848.db2.gz WBJJYNKZEXKERV-KRWDZBQOSA-N 1 2 387.842 3.833 20 30 GHEDLO N#Cc1ccc(-c2nnc(C[NH+]3CCC(O)(c4ccccc4Cl)CC3)o2)cc1 ZINC000193144346 908853786 /nfs/dbraw/zinc/85/37/86/908853786.db2.gz GTHJVJSRLXSFGS-UHFFFAOYSA-N 1 2 394.862 3.745 20 30 GHEDLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N[C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000635851654 909362231 /nfs/dbraw/zinc/36/22/31/909362231.db2.gz NZEGVGRAIYTKAK-YPMHNXCESA-N 1 2 383.267 3.936 20 30 GHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N(CCC#N)Cc3ccccn3)n2)C1 ZINC000267917852 909692952 /nfs/dbraw/zinc/69/29/52/909692952.db2.gz PNLGDZHDPMPKRG-INIZCTEOSA-N 1 2 398.536 3.718 20 30 GHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N(CCC#N)Cc3ccccn3)n2)C1 ZINC000267917852 909692953 /nfs/dbraw/zinc/69/29/53/909692953.db2.gz PNLGDZHDPMPKRG-INIZCTEOSA-N 1 2 398.536 3.718 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2Cc3ccccc3O[C@H](C)C2)cc1 ZINC000795428815 910271579 /nfs/dbraw/zinc/27/15/79/910271579.db2.gz BSXRESJZMVOCJH-RTBURBONSA-N 1 2 377.488 3.913 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2Cc3ccccc3O[C@H](C)C2)cc1 ZINC000795428815 910271585 /nfs/dbraw/zinc/27/15/85/910271585.db2.gz BSXRESJZMVOCJH-RTBURBONSA-N 1 2 377.488 3.913 20 30 GHEDLO C[C@@H](C#N)OCCN1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000801934787 921646804 /nfs/dbraw/zinc/64/68/04/921646804.db2.gz QZTBHHIBCJDLTA-AVRDEDQJSA-N 1 2 383.923 3.976 20 30 GHEDLO C=CCOc1ccc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1OC ZINC000283189795 911405888 /nfs/dbraw/zinc/40/58/88/911405888.db2.gz FPALPXKHVZIHAT-SFHVURJKSA-N 1 2 395.503 3.813 20 30 GHEDLO C#C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2OCCN2CCOCC2)C1 ZINC001182605193 911919889 /nfs/dbraw/zinc/91/98/89/911919889.db2.gz SBBRCYNSNMGSQF-MRXNPFEDSA-N 1 2 397.346 3.550 20 30 GHEDLO C#C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2OCCN2CCOCC2)C1 ZINC001182605193 911919905 /nfs/dbraw/zinc/91/99/05/911919905.db2.gz SBBRCYNSNMGSQF-MRXNPFEDSA-N 1 2 397.346 3.550 20 30 GHEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c(C#N)c1C ZINC000361179129 916549417 /nfs/dbraw/zinc/54/94/17/916549417.db2.gz UIHOQIINMHGOFT-CQSZACIVSA-N 1 2 396.422 3.867 20 30 GHEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c(C#N)c1C ZINC000361179129 916549425 /nfs/dbraw/zinc/54/94/25/916549425.db2.gz UIHOQIINMHGOFT-CQSZACIVSA-N 1 2 396.422 3.867 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC([C@@H](O)c3ccccc3C)CC2)c(C#N)c1C ZINC000796407503 916616989 /nfs/dbraw/zinc/61/69/89/916616989.db2.gz MBPXHHOPFFTEMA-HRAATJIYSA-N 1 2 395.503 3.849 20 30 GHEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(Br)c(F)c1 ZINC001275780973 917226603 /nfs/dbraw/zinc/22/66/03/917226603.db2.gz HXDCDGSZUDJTEP-IAGOWNOFSA-N 1 2 381.289 3.730 20 30 GHEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(Br)c(F)c1 ZINC001275780973 917226613 /nfs/dbraw/zinc/22/66/13/917226613.db2.gz HXDCDGSZUDJTEP-IAGOWNOFSA-N 1 2 381.289 3.730 20 30 GHEDLO C#CC[C@H]([NH2+]Cc1csc(CNC(=O)c2ccccc2)n1)c1ccccc1 ZINC000775398860 917439549 /nfs/dbraw/zinc/43/95/49/917439549.db2.gz CPXGMVHZHRLPMH-FQEVSTJZSA-N 1 2 375.497 3.927 20 30 GHEDLO COc1cc([C@H](C)[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)ccc1OC1CCCC1 ZINC000115597168 919459354 /nfs/dbraw/zinc/45/93/54/919459354.db2.gz KEIMCRQREYIYTE-OYHNWAKOSA-N 1 2 393.487 3.765 20 30 GHEDLO C=C[C@H](CC(=O)N1CCC[C@@H]([N@H+](C)Cc2noc(C)n2)CC1)c1ccccc1 ZINC000364697923 919868082 /nfs/dbraw/zinc/86/80/82/919868082.db2.gz PSGSBBYQKMRMDC-UYAOXDASSA-N 1 2 382.508 3.551 20 30 GHEDLO C=C[C@H](CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2noc(C)n2)CC1)c1ccccc1 ZINC000364697923 919868124 /nfs/dbraw/zinc/86/81/24/919868124.db2.gz PSGSBBYQKMRMDC-UYAOXDASSA-N 1 2 382.508 3.551 20 30 GHEDLO N#CCCCN1CC2(CCC1=O)CC[NH+](Cc1c(Cl)cncc1Cl)CC2 ZINC001275973291 920476815 /nfs/dbraw/zinc/47/68/15/920476815.db2.gz NNHBFPPMJVCTNF-UHFFFAOYSA-N 1 2 395.334 3.897 20 30 GHEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000298756226 920891122 /nfs/dbraw/zinc/89/11/22/920891122.db2.gz NRNKALGXZGXRNB-UHFFFAOYSA-N 1 2 387.487 3.925 20 30 GHEDLO C[C@H](c1nnc(SCc2cc(C#N)ccn2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000901364445 921039374 /nfs/dbraw/zinc/03/93/74/921039374.db2.gz KBXIKOOSFRQSHB-CYBMUJFWSA-N 1 2 382.468 3.588 20 30 GHEDLO Cn1cc[nH+]c1CCCOC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000802783395 922400972 /nfs/dbraw/zinc/40/09/72/922400972.db2.gz QGYGLRIKZZDJIP-UHFFFAOYSA-N 1 2 375.428 3.660 20 30 GHEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC#Cc1cccc(C(F)(F)F)c1)C2 ZINC000369583900 923459273 /nfs/dbraw/zinc/45/92/73/923459273.db2.gz CULKRLNCGWIPLP-HNNXBMFYSA-N 1 2 389.421 3.825 20 30 GHEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC#Cc1cccc(C(F)(F)F)c1)CC2 ZINC000369583900 923459286 /nfs/dbraw/zinc/45/92/86/923459286.db2.gz CULKRLNCGWIPLP-HNNXBMFYSA-N 1 2 389.421 3.825 20 30 GHEDLO COc1ccccc1-c1noc([C@@H](C)[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)n1 ZINC000369671949 923533987 /nfs/dbraw/zinc/53/39/87/923533987.db2.gz KLQKBJVVHTUUDT-LSDHHAIUSA-N 1 2 378.432 3.887 20 30 GHEDLO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000370420035 924084699 /nfs/dbraw/zinc/08/46/99/924084699.db2.gz CWEPTRPTUUOTAR-HXUWFJFHSA-N 1 2 388.446 3.685 20 30 GHEDLO N#Cc1cccc(CNC(=O)C[NH2+][C@H](c2cccc(Cl)c2)c2ccccn2)c1 ZINC000370865372 924333360 /nfs/dbraw/zinc/33/33/60/924333360.db2.gz RLSLVSHSWAQAGS-JOCHJYFZSA-N 1 2 390.874 3.602 20 30 GHEDLO N#Cc1cc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)cc2)ccc1C(F)(F)F ZINC000409550648 924752263 /nfs/dbraw/zinc/75/22/63/924752263.db2.gz FODPVBYWUVNVOG-UHFFFAOYSA-N 1 2 392.362 3.564 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2cccc(Br)c2OC)C1=O ZINC001276090206 925514950 /nfs/dbraw/zinc/51/49/50/925514950.db2.gz GKRPXVIQBMXOSC-IBGZPJMESA-N 1 2 393.325 3.601 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2cccc(Br)c2OC)C1=O ZINC001276090206 925514961 /nfs/dbraw/zinc/51/49/61/925514961.db2.gz GKRPXVIQBMXOSC-IBGZPJMESA-N 1 2 393.325 3.601 20 30 GHEDLO C=CCN1CC[C@H]([N@H+](Cc2cc(Br)ccc2OCC)C2CC2)C1=O ZINC000410352275 925561921 /nfs/dbraw/zinc/56/19/21/925561921.db2.gz ZPAFCDRIYBTMGV-KRWDZBQOSA-N 1 2 393.325 3.599 20 30 GHEDLO C=CCN1CC[C@H]([N@@H+](Cc2cc(Br)ccc2OCC)C2CC2)C1=O ZINC000410352275 925561934 /nfs/dbraw/zinc/56/19/34/925561934.db2.gz ZPAFCDRIYBTMGV-KRWDZBQOSA-N 1 2 393.325 3.599 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2ccc(OC)c(Br)c2)C1=O ZINC001276100805 925679369 /nfs/dbraw/zinc/67/93/69/925679369.db2.gz OZJSGJFFIDXZNM-IBGZPJMESA-N 1 2 393.325 3.601 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(OC)c(Br)c2)C1=O ZINC001276100805 925679372 /nfs/dbraw/zinc/67/93/72/925679372.db2.gz OZJSGJFFIDXZNM-IBGZPJMESA-N 1 2 393.325 3.601 20 30 GHEDLO Cc1cc(-c2noc([C@@H](C)[NH2+]Cc3cnc4ccc(C#N)cn34)n2)ccc1F ZINC000372812866 925722867 /nfs/dbraw/zinc/72/28/67/925722867.db2.gz CMDPAWCJILEPTA-CYBMUJFWSA-N 1 2 376.395 3.554 20 30 GHEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3c(F)cccc3Br)CC2)nc1 ZINC001137467822 925931034 /nfs/dbraw/zinc/93/10/34/925931034.db2.gz QUJKOHHLTJPRIY-UHFFFAOYSA-N 1 2 389.272 3.567 20 30 GHEDLO N#Cc1ccc(N2CCC[N@H+](Cc3c(F)cccc3Br)CC2)nc1 ZINC001137467822 925931038 /nfs/dbraw/zinc/93/10/38/925931038.db2.gz QUJKOHHLTJPRIY-UHFFFAOYSA-N 1 2 389.272 3.567 20 30 GHEDLO CC[N@H+](Cc1ccc(OC)cc1OC)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000411199772 926206024 /nfs/dbraw/zinc/20/60/24/926206024.db2.gz LPXRQFQSCOOJBQ-CQSZACIVSA-N 1 2 385.464 3.634 20 30 GHEDLO CC[N@@H+](Cc1ccc(OC)cc1OC)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000411199772 926206031 /nfs/dbraw/zinc/20/60/31/926206031.db2.gz LPXRQFQSCOOJBQ-CQSZACIVSA-N 1 2 385.464 3.634 20 30 GHEDLO C#CC[N@@H+](CC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC)Cc1ccccc1 ZINC000796633058 926364322 /nfs/dbraw/zinc/36/43/22/926364322.db2.gz QKQFCKXRDRMFAW-QFIPXVFZSA-N 1 2 392.499 3.503 20 30 GHEDLO C#CC[N@H+](CC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC)Cc1ccccc1 ZINC000796633058 926364330 /nfs/dbraw/zinc/36/43/30/926364330.db2.gz QKQFCKXRDRMFAW-QFIPXVFZSA-N 1 2 392.499 3.503 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000373960770 926595153 /nfs/dbraw/zinc/59/51/53/926595153.db2.gz VXDSEIXAZWPQOD-SJORKVTESA-N 1 2 395.532 3.689 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000373960770 926595160 /nfs/dbraw/zinc/59/51/60/926595160.db2.gz VXDSEIXAZWPQOD-SJORKVTESA-N 1 2 395.532 3.689 20 30 GHEDLO C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000726754658 926835222 /nfs/dbraw/zinc/83/52/22/926835222.db2.gz PKTNTPDAIGERAK-UHFFFAOYSA-N 1 2 381.439 3.680 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)c(OC(F)F)c1 ZINC000411978600 926968845 /nfs/dbraw/zinc/96/88/45/926968845.db2.gz HFUQKQGVMVTRTD-NRFANRHFSA-N 1 2 384.382 3.770 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)c(OC(F)F)c1 ZINC000411978600 926968854 /nfs/dbraw/zinc/96/88/54/926968854.db2.gz HFUQKQGVMVTRTD-NRFANRHFSA-N 1 2 384.382 3.770 20 30 GHEDLO C[C@H]1CN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC[N@@H+]1Cc1ccccc1 ZINC000412700479 927747278 /nfs/dbraw/zinc/74/72/78/927747278.db2.gz QTWAOKUFWQHPOA-KRWDZBQOSA-N 1 2 386.455 3.560 20 30 GHEDLO C[C@H]1CN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC[N@H+]1Cc1ccccc1 ZINC000412700479 927747285 /nfs/dbraw/zinc/74/72/85/927747285.db2.gz QTWAOKUFWQHPOA-KRWDZBQOSA-N 1 2 386.455 3.560 20 30 GHEDLO CC(C)c1ccc(-c2noc(CO[NH+]=C(N)c3ccc4c(c3)CCO4)n2)cc1 ZINC000753821830 929550980 /nfs/dbraw/zinc/55/09/80/929550980.db2.gz BGPVTHNKBFNFKV-UHFFFAOYSA-N 1 2 378.432 3.632 20 30 GHEDLO C(=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000753927166 929595623 /nfs/dbraw/zinc/59/56/23/929595623.db2.gz BERNGYUPNJEARN-HDICACEKSA-N 1 2 390.516 3.795 20 30 GHEDLO O=C(Nc1cccc(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)c1)c1ccc(Cl)cc1 ZINC000753936289 929601177 /nfs/dbraw/zinc/60/11/77/929601177.db2.gz RKNWCIASFRVFFC-OALUTQOASA-N 1 2 395.894 3.786 20 30 GHEDLO Cc1oc(NC(=O)C[N@H+](C)CCOc2ccc(C(F)(F)F)cc2)c(C#N)c1C ZINC000469739102 930125435 /nfs/dbraw/zinc/12/54/35/930125435.db2.gz DWDADZSTANGRJP-UHFFFAOYSA-N 1 2 395.381 3.736 20 30 GHEDLO Cc1oc(NC(=O)C[N@@H+](C)CCOc2ccc(C(F)(F)F)cc2)c(C#N)c1C ZINC000469739102 930125442 /nfs/dbraw/zinc/12/54/42/930125442.db2.gz DWDADZSTANGRJP-UHFFFAOYSA-N 1 2 395.381 3.736 20 30 GHEDLO Cn1cc(Br)cc1C[N@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000758825055 930183000 /nfs/dbraw/zinc/18/30/00/930183000.db2.gz FYXZUPWJVHAPKO-UHFFFAOYSA-N 1 2 382.689 3.975 20 30 GHEDLO Cn1cc(Br)cc1C[N@@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000758825055 930183004 /nfs/dbraw/zinc/18/30/04/930183004.db2.gz FYXZUPWJVHAPKO-UHFFFAOYSA-N 1 2 382.689 3.975 20 30 GHEDLO Cn1c[nH+]cc1Cc1noc(-c2ccc(Oc3cccc(F)c3C#N)cc2)n1 ZINC000547257354 930851950 /nfs/dbraw/zinc/85/19/50/930851950.db2.gz GHGYOWBOBOWAAY-UHFFFAOYSA-N 1 2 375.363 3.864 20 30 GHEDLO N#CCOc1cc(F)ccc1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000783065771 931400557 /nfs/dbraw/zinc/40/05/57/931400557.db2.gz UUVXCCXJKDITMZ-UHFFFAOYSA-N 1 2 385.443 3.649 20 30 GHEDLO CC[C@@H]([NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1)c1cccc(C#N)c1O ZINC000924775481 931533874 /nfs/dbraw/zinc/53/38/74/931533874.db2.gz ACOUTHLCYINFPB-WOJBJXKFSA-N 1 2 379.460 3.622 20 30 GHEDLO C#CCOc1ccccc1[C@@H](C)OC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000796694782 932032075 /nfs/dbraw/zinc/03/20/75/932032075.db2.gz YHCINGPSOZDQNB-CYBMUJFWSA-N 1 2 384.382 3.939 20 30 GHEDLO CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000796714118 932039742 /nfs/dbraw/zinc/03/97/42/932039742.db2.gz CSIDTIVDCBNODI-KRWDZBQOSA-N 1 2 379.888 3.731 20 30 GHEDLO CC(C)NC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000796714118 932039748 /nfs/dbraw/zinc/03/97/48/932039748.db2.gz CSIDTIVDCBNODI-KRWDZBQOSA-N 1 2 379.888 3.731 20 30 GHEDLO Cc1cc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)cc(Cl)n1 ZINC000797589920 932336950 /nfs/dbraw/zinc/33/69/50/932336950.db2.gz HBCPNGNQVPPNDW-UHFFFAOYSA-N 1 2 377.879 3.786 20 30 GHEDLO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H]([NH2+]Cc2ccc(Cl)c3cccnc23)C1 ZINC000798275138 932588726 /nfs/dbraw/zinc/58/87/26/932588726.db2.gz NTTFNMDIJNYPBE-WMLDXEAASA-N 1 2 386.883 3.737 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)/C=C\c2ccccc2C#N)[C@@H](C)C1 ZINC000799425120 932999221 /nfs/dbraw/zinc/99/92/21/932999221.db2.gz GRYWUXGJNPQJPR-HSNDNRACSA-N 1 2 389.499 3.703 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)/C=C\c2ccccc2C#N)[C@@H](C)C1 ZINC000799425120 932999233 /nfs/dbraw/zinc/99/92/33/932999233.db2.gz GRYWUXGJNPQJPR-HSNDNRACSA-N 1 2 389.499 3.703 20 30 GHEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000929607850 933538792 /nfs/dbraw/zinc/53/87/92/933538792.db2.gz CSFZARZITMPYJN-PGRDOPGGSA-N 1 2 392.503 3.526 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3cccc(C(F)F)c3)CC2)cc1 ZINC001116705566 933714919 /nfs/dbraw/zinc/71/49/19/933714919.db2.gz LVXQCJDRHKGYJG-UHFFFAOYSA-N 1 2 384.430 3.523 20 30 GHEDLO Cc1cc(-n2cc[nH+]c2)ccc1CSCC(=O)NCc1cccc(C#N)c1 ZINC001116745233 933733528 /nfs/dbraw/zinc/73/35/28/933733528.db2.gz HFBSWFCZKUXIEC-UHFFFAOYSA-N 1 2 376.485 3.602 20 30 GHEDLO CC(C)(C)OC(=O)NCCC1C[NH+](Cc2ccc(C#N)cc2Br)C1 ZINC001137637912 935652947 /nfs/dbraw/zinc/65/29/47/935652947.db2.gz DYMUXOVQVRWFRM-UHFFFAOYSA-N 1 2 394.313 3.667 20 30 GHEDLO CC[N@@H+]1CC[C@H](Nc2nccc(C#N)c2Cl)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000561268036 1017826024 /nfs/dbraw/zinc/82/60/24/1017826024.db2.gz QGAXNUJTOBJWOB-WMLDXEAASA-N 1 2 380.801 3.693 20 30 GHEDLO CC[N@H+]1CC[C@H](Nc2nccc(C#N)c2Cl)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000561268036 1017826038 /nfs/dbraw/zinc/82/60/38/1017826038.db2.gz QGAXNUJTOBJWOB-WMLDXEAASA-N 1 2 380.801 3.693 20 30 GHEDLO Cc1noc(Nc2cccc(C[NH+]3CCN(C(=O)OC(C)(C)C)CC3)c2)c1C#N ZINC001204317058 1032761394 /nfs/dbraw/zinc/76/13/94/1032761394.db2.gz SEIXZECPZHLREK-UHFFFAOYSA-N 1 2 397.479 3.651 20 30 GHEDLO C=C(C)C(=O)OC[C@H](C)Oc1cccc(C(=O)C[N@H+](C)Cc2ccccc2)c1 ZINC001228101566 1032781970 /nfs/dbraw/zinc/78/19/70/1032781970.db2.gz ATPBIFLALFVPOF-SFHVURJKSA-N 1 2 381.472 3.888 20 30 GHEDLO C=C(C)C(=O)OC[C@H](C)Oc1cccc(C(=O)C[N@@H+](C)Cc2ccccc2)c1 ZINC001228101566 1032781978 /nfs/dbraw/zinc/78/19/78/1032781978.db2.gz ATPBIFLALFVPOF-SFHVURJKSA-N 1 2 381.472 3.888 20 30 GHEDLO C[N@H+]1[C@@H]2C[C@@H](OC3=CC(=NNc4ccc([N+](=O)[O-])cc4)C=CC3=O)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228571264 1032991656 /nfs/dbraw/zinc/99/16/56/1032991656.db2.gz QSLONRIFTZNQCD-NALZTSGQSA-N 1 2 396.403 3.707 20 30 GHEDLO C[N@@H+]1[C@@H]2C[C@@H](OC3=CC(=NNc4ccc([N+](=O)[O-])cc4)C=CC3=O)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228571264 1032991668 /nfs/dbraw/zinc/99/16/68/1032991668.db2.gz QSLONRIFTZNQCD-NALZTSGQSA-N 1 2 396.403 3.707 20 30 GHEDLO Cc1cnc([C@@H]([NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C2CC2)s1 ZINC000754416385 1022691437 /nfs/dbraw/zinc/69/14/37/1022691437.db2.gz BSPKESGUDSBOAC-BEFAXECRSA-N 1 2 389.484 3.730 20 30 GHEDLO O=C1C=C2C[N@@H+](Cc3ccc(OC(F)F)c(OCC4CC4)c3)CC[C@H]2S1 ZINC001140904213 1022839304 /nfs/dbraw/zinc/83/93/04/1022839304.db2.gz LESMNRUCWUBMLR-QGZVFWFLSA-N 1 2 381.444 3.851 20 30 GHEDLO CC(C)(C)OC(=O)Nc1ccncc1C[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC001140907266 1022846843 /nfs/dbraw/zinc/84/68/43/1022846843.db2.gz ONVCUWFLHVLSJZ-UHFFFAOYSA-N 1 2 392.503 3.908 20 30 GHEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2cc(C)c(F)cc2Br)C1=O ZINC001277332748 1033118588 /nfs/dbraw/zinc/11/85/88/1033118588.db2.gz ZQQWUKXJWGYYOV-SFHVURJKSA-N 1 2 381.289 3.650 20 30 GHEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(C)c(F)cc2Br)C1=O ZINC001277332748 1033118597 /nfs/dbraw/zinc/11/85/97/1033118597.db2.gz ZQQWUKXJWGYYOV-SFHVURJKSA-N 1 2 381.289 3.650 20 30 GHEDLO N#Cc1cccc([C@@H](NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)C(F)(F)F)c1 ZINC000831095362 1024352410 /nfs/dbraw/zinc/35/24/10/1024352410.db2.gz CGMTXGXZIYCHII-TZMCWYRMSA-N 1 2 390.287 3.668 20 30 GHEDLO COC[C@@H]1Cn2ccnc2C[N@H+](Cc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC001141292330 1024421623 /nfs/dbraw/zinc/42/16/23/1024421623.db2.gz YTJNHTQOFINUIQ-FQEVSTJZSA-N 1 2 388.471 3.825 20 30 GHEDLO COC[C@@H]1Cn2ccnc2C[N@@H+](Cc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC001141292330 1024421630 /nfs/dbraw/zinc/42/16/30/1024421630.db2.gz YTJNHTQOFINUIQ-FQEVSTJZSA-N 1 2 388.471 3.825 20 30 GHEDLO C#C[C@H](NC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000831306869 1024483935 /nfs/dbraw/zinc/48/39/35/1024483935.db2.gz LYBGSULQBMBDKV-WFXMLNOXSA-N 1 2 377.488 3.792 20 30 GHEDLO COCC[N@H+](CCC#N)Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000838820331 1025386851 /nfs/dbraw/zinc/38/68/51/1025386851.db2.gz VTIWQCFNGGHIAD-UHFFFAOYSA-N 1 2 380.330 3.801 20 30 GHEDLO COCC[N@@H+](CCC#N)Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000838820331 1025386869 /nfs/dbraw/zinc/38/68/69/1025386869.db2.gz VTIWQCFNGGHIAD-UHFFFAOYSA-N 1 2 380.330 3.801 20 30 GHEDLO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000832284906 1025405960 /nfs/dbraw/zinc/40/59/60/1025405960.db2.gz QDHFYAUDMFFONM-ZDUSSCGKSA-N 1 2 375.822 3.558 20 30 GHEDLO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000832284906 1025405972 /nfs/dbraw/zinc/40/59/72/1025405972.db2.gz QDHFYAUDMFFONM-ZDUSSCGKSA-N 1 2 375.822 3.558 20 30 GHEDLO COC(=O)c1ccc(C2C[NH+](Cc3cc(C#N)ccc3Br)C2)cc1 ZINC001141664678 1026183575 /nfs/dbraw/zinc/18/35/75/1026183575.db2.gz WCQZUJIQMUDSRD-UHFFFAOYSA-N 1 2 385.261 3.707 20 30 GHEDLO Cc1cccnc1N1CC[NH+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC001139424284 1026294560 /nfs/dbraw/zinc/29/45/60/1026294560.db2.gz OQJPQPTZAWHVGE-UHFFFAOYSA-N 1 2 385.471 3.771 20 30 GHEDLO CC(C)c1cc(NC(=NO)c2ccc(OC(F)(F)F)cc2)nc(N(C)C)[nH+]1 ZINC001163765792 1026309406 /nfs/dbraw/zinc/30/94/06/1026309406.db2.gz KDPQJOLQSXCGJF-UHFFFAOYSA-N 1 2 383.374 3.813 20 30 GHEDLO CCOC(=O)c1[nH]c2ccccc2c1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC001139460046 1026325732 /nfs/dbraw/zinc/32/57/32/1026325732.db2.gz YJFJEDXUNLMDQN-UHFFFAOYSA-N 1 2 388.471 3.538 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(-c2ccsc2)nc1 ZINC001139499439 1026357854 /nfs/dbraw/zinc/35/78/54/1026357854.db2.gz MXBWFIFYOVDGSJ-FQEVSTJZSA-N 1 2 380.517 3.846 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(-c2ccsc2)nc1 ZINC001139499439 1026357865 /nfs/dbraw/zinc/35/78/65/1026357865.db2.gz MXBWFIFYOVDGSJ-FQEVSTJZSA-N 1 2 380.517 3.846 20 30 GHEDLO N#Cc1ccc(CN2CC[N@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)cc1F ZINC001139530746 1026388982 /nfs/dbraw/zinc/38/89/82/1026388982.db2.gz GXMVCRGXOKBNHT-LJQANCHMSA-N 1 2 377.385 3.946 20 30 GHEDLO N#Cc1ccc(CN2CC[N@@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)cc1F ZINC001139530746 1026388990 /nfs/dbraw/zinc/38/89/90/1026388990.db2.gz GXMVCRGXOKBNHT-LJQANCHMSA-N 1 2 377.385 3.946 20 30 GHEDLO N#Cc1c(Cl)cccc1C[N@@H+]1CC[C@H]2O[C@H](COCc3ccccn3)CC[C@H]21 ZINC001139689005 1026540846 /nfs/dbraw/zinc/54/08/46/1026540846.db2.gz GISXDPZASJUAMK-VLCRHTCISA-N 1 2 397.906 3.945 20 30 GHEDLO N#Cc1c(Cl)cccc1C[N@H+]1CC[C@H]2O[C@H](COCc3ccccn3)CC[C@H]21 ZINC001139689005 1026540854 /nfs/dbraw/zinc/54/08/54/1026540854.db2.gz GISXDPZASJUAMK-VLCRHTCISA-N 1 2 397.906 3.945 20 30 GHEDLO N#Cc1c(Cl)cccc1C[N@@H+]1CC[C@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001139689948 1026542555 /nfs/dbraw/zinc/54/25/55/1026542555.db2.gz YWRCDGPNCNUFQA-IOMROCGXSA-N 1 2 383.879 3.808 20 30 GHEDLO N#Cc1c(Cl)cccc1C[N@H+]1CC[C@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001139689948 1026542561 /nfs/dbraw/zinc/54/25/61/1026542561.db2.gz YWRCDGPNCNUFQA-IOMROCGXSA-N 1 2 383.879 3.808 20 30 GHEDLO CC(C)c1ccc(N2CCC[C@]3(C2)COCCN(c2cccc(C#N)n2)C3)[nH+]c1 ZINC001165521643 1026752268 /nfs/dbraw/zinc/75/22/68/1026752268.db2.gz POZFKYZLEQIEMR-HSZRJFAPSA-N 1 2 391.519 3.595 20 30 GHEDLO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cc(Br)cnc1F)C2 ZINC001140004095 1026791381 /nfs/dbraw/zinc/79/13/81/1026791381.db2.gz ZPXXPDVDJACNHD-FUHWJXTLSA-N 1 2 399.304 3.557 20 30 GHEDLO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1cc(Br)cnc1F)C2 ZINC001140004095 1026791390 /nfs/dbraw/zinc/79/13/90/1026791390.db2.gz ZPXXPDVDJACNHD-FUHWJXTLSA-N 1 2 399.304 3.557 20 30 GHEDLO COc1ccc(C[NH+]2CCN(C)CC2)cc1NC(C)(C)c1ccc(C#N)cc1 ZINC001165792194 1026838334 /nfs/dbraw/zinc/83/83/34/1026838334.db2.gz NGOGQYYVACLQSD-UHFFFAOYSA-N 1 2 378.520 3.661 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1cnc(-c2ccc(F)cc2)s1 ZINC001140093819 1026871043 /nfs/dbraw/zinc/87/10/43/1026871043.db2.gz DVUMXYRODIKVNC-IBGZPJMESA-N 1 2 398.507 3.985 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1cnc(-c2ccc(F)cc2)s1 ZINC001140093819 1026871049 /nfs/dbraw/zinc/87/10/49/1026871049.db2.gz DVUMXYRODIKVNC-IBGZPJMESA-N 1 2 398.507 3.985 20 30 GHEDLO CC(=O)N1CC[C@@]2(c3ccccc3)CCN(c3[nH+]ccc4ccc(C#N)cc43)C[C@@H]12 ZINC001166220519 1026946492 /nfs/dbraw/zinc/94/64/92/1026946492.db2.gz ZOLJWWMVUFSYOF-ILBGXUMGSA-N 1 2 396.494 3.875 20 30 GHEDLO CC(=O)N1CCCC[C@@]12CCC[N@H+](Cc1ccc(Br)cc1C#N)C2 ZINC001141813383 1027346175 /nfs/dbraw/zinc/34/61/75/1027346175.db2.gz LFYMAUWTDZKTQP-IBGZPJMESA-N 1 2 390.325 3.688 20 30 GHEDLO CC(=O)N1CCCC[C@@]12CCC[N@@H+](Cc1ccc(Br)cc1C#N)C2 ZINC001141813383 1027346191 /nfs/dbraw/zinc/34/61/91/1027346191.db2.gz LFYMAUWTDZKTQP-IBGZPJMESA-N 1 2 390.325 3.688 20 30 GHEDLO COc1cc(Nc2c(C#N)cnn2-c2ccc(Br)cc2)cc(C)[nH+]1 ZINC001210779173 1027649388 /nfs/dbraw/zinc/64/93/88/1027649388.db2.gz GKROJSSVOKQANR-UHFFFAOYSA-N 1 2 384.237 3.962 20 30 GHEDLO C=CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@]2(CC)c1cccc(Nc2cc(C)[nH+]c(OC)c2)c1 ZINC001210783653 1027651473 /nfs/dbraw/zinc/65/14/73/1027651473.db2.gz HRQLCZROKAAOFE-JHDGKUDLSA-N 1 2 391.471 3.591 20 30 GHEDLO Cc1cc(Nc2cncnc2[C@@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1C#N ZINC001210805492 1027655992 /nfs/dbraw/zinc/65/59/92/1027655992.db2.gz BZRDTGIACMZBSI-QFIPXVFZSA-N 1 2 385.471 3.974 20 30 GHEDLO Cc1cc(Nc2cncnc2[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1C#N ZINC001210805492 1027656003 /nfs/dbraw/zinc/65/60/03/1027656003.db2.gz BZRDTGIACMZBSI-QFIPXVFZSA-N 1 2 385.471 3.974 20 30 GHEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@@H]2C[C@H](OC(C)(C)C)C2(C)C)CC1=O ZINC000840704223 1027745482 /nfs/dbraw/zinc/74/54/82/1027745482.db2.gz NSUOMXOKTQMQIR-MSOLQXFVSA-N 1 2 396.535 3.628 20 30 GHEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+]2CC3(C[C@@H]2C)CCOCC3)c1=S ZINC000842640141 1029448126 /nfs/dbraw/zinc/44/81/26/1029448126.db2.gz VGHRTYBTDADAKZ-INIZCTEOSA-N 1 2 385.537 3.511 20 30 GHEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+]2CC3(C[C@@H]2C)CCOCC3)c1=S ZINC000842640141 1029448135 /nfs/dbraw/zinc/44/81/35/1029448135.db2.gz VGHRTYBTDADAKZ-INIZCTEOSA-N 1 2 385.537 3.511 20 30 GHEDLO CCOC[C@H]1C[N@H+](Cc2c[nH]c3cc(C#N)ccc23)Cc2c1cnn2CC1CC1 ZINC001142916561 1029689732 /nfs/dbraw/zinc/68/97/32/1029689732.db2.gz FQPJXGMNDBXUTA-LJQANCHMSA-N 1 2 389.503 3.782 20 30 GHEDLO CCOC[C@H]1C[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)Cc2c1cnn2CC1CC1 ZINC001142916561 1029689735 /nfs/dbraw/zinc/68/97/35/1029689735.db2.gz FQPJXGMNDBXUTA-LJQANCHMSA-N 1 2 389.503 3.782 20 30 GHEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1c(Br)ccc(F)c1F)CC2 ZINC001143332104 1030040533 /nfs/dbraw/zinc/04/05/33/1030040533.db2.gz IAABIZKPVRPOTO-UHFFFAOYSA-N 1 2 399.279 3.870 20 30 GHEDLO C[NH+]1CCN(c2ccc(-c3nc(-c4cc(C#N)ccc4F)no3)cc2Cl)CC1 ZINC001217009589 1030083669 /nfs/dbraw/zinc/08/36/69/1030083669.db2.gz RIKJTKKHOXQPPM-UHFFFAOYSA-N 1 2 397.841 3.820 20 30 GHEDLO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1cc(O)cc2occ(-c3ccc(O)cc3)c(=O)c12 ZINC001218452084 1030942140 /nfs/dbraw/zinc/94/21/40/1030942140.db2.gz PAZCGCLCPKUYSK-RTBURBONSA-N 1 2 393.439 3.947 20 30 GHEDLO COc1ccc(/C=C/c2cc(O)cc(O[C@@H]3C[C@@H]4[C@H]5O[C@H]5[C@H](C3)[N@H+]4C)c2)cc1 ZINC001229141219 1033304478 /nfs/dbraw/zinc/30/44/78/1033304478.db2.gz MBAHOPXVNCZBRQ-PHAJHLCRSA-N 1 2 379.456 3.562 20 30 GHEDLO COc1ccc(/C=C/c2cc(O)cc(O[C@@H]3C[C@@H]4[C@H]5O[C@H]5[C@H](C3)[N@@H+]4C)c2)cc1 ZINC001229141219 1033304491 /nfs/dbraw/zinc/30/44/91/1033304491.db2.gz MBAHOPXVNCZBRQ-PHAJHLCRSA-N 1 2 379.456 3.562 20 30 GHEDLO COC[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)Cc2cn(CC3CCCC3)nc21 ZINC001205467117 1033425289 /nfs/dbraw/zinc/42/52/89/1033425289.db2.gz JIFCSUXJVYFYOH-FQEVSTJZSA-N 1 2 382.483 3.830 20 30 GHEDLO COC[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)Cc2cn(CC3CCCC3)nc21 ZINC001205467117 1033425296 /nfs/dbraw/zinc/42/52/96/1033425296.db2.gz JIFCSUXJVYFYOH-FQEVSTJZSA-N 1 2 382.483 3.830 20 30 GHEDLO CC(=O)c1c(O[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)ccc2ccc(=O)oc21 ZINC001229462291 1033495609 /nfs/dbraw/zinc/49/56/09/1033495609.db2.gz SGMCVEHENQJDBO-IBGZPJMESA-N 1 2 388.423 3.521 20 30 GHEDLO CC(=O)c1c(O[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)ccc2ccc(=O)oc21 ZINC001229462291 1033495617 /nfs/dbraw/zinc/49/56/17/1033495617.db2.gz SGMCVEHENQJDBO-IBGZPJMESA-N 1 2 388.423 3.521 20 30 GHEDLO O=C1C=CC(=Nc2ccc(OC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)cc2)C=C1 ZINC001229696137 1033648639 /nfs/dbraw/zinc/64/86/39/1033648639.db2.gz JNAMZHSTVHZOGU-DEOSSOPVSA-N 1 2 388.467 3.734 20 30 GHEDLO O=C1C=CC(=Nc2ccc(OC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)cc2)C=C1 ZINC001229696137 1033648649 /nfs/dbraw/zinc/64/86/49/1033648649.db2.gz JNAMZHSTVHZOGU-DEOSSOPVSA-N 1 2 388.467 3.734 20 30 GHEDLO Cc1nc(O[C@@H](C)C(=O)OCCC(C)C)c(C#N)cc1-c1ccc2[nH+]ccn2c1 ZINC001229768458 1033699153 /nfs/dbraw/zinc/69/91/53/1033699153.db2.gz MVJXKLVHVHPNSF-INIZCTEOSA-N 1 2 392.459 3.933 20 30 GHEDLO CC(=O)c1c(O)c2ccccc2nc1O[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001231185090 1034450644 /nfs/dbraw/zinc/45/06/44/1034450644.db2.gz RKKDXEWBBZZYJH-SFHVURJKSA-N 1 2 387.439 3.668 20 30 GHEDLO CC(=O)c1c(O)c2ccccc2nc1O[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001231185090 1034450652 /nfs/dbraw/zinc/45/06/52/1034450652.db2.gz RKKDXEWBBZZYJH-SFHVURJKSA-N 1 2 387.439 3.668 20 30 GHEDLO C=CC(C)(C)CCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC001231273750 1034498232 /nfs/dbraw/zinc/49/82/32/1034498232.db2.gz VCRXDEGXTFUJFE-ZWKOTPCHSA-N 1 2 379.932 3.613 20 30 GHEDLO C=CC(C)(C)CCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC001231273750 1034498238 /nfs/dbraw/zinc/49/82/38/1034498238.db2.gz VCRXDEGXTFUJFE-ZWKOTPCHSA-N 1 2 379.932 3.613 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@H+](Cc3cc(F)cc(Cl)c3O)CC2)C1=O ZINC001277510850 1034548575 /nfs/dbraw/zinc/54/85/75/1034548575.db2.gz QXPPVZAYOMTENC-HXUWFJFHSA-N 1 2 380.891 3.965 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+](Cc3cc(F)cc(Cl)c3O)CC2)C1=O ZINC001277510850 1034548581 /nfs/dbraw/zinc/54/85/81/1034548581.db2.gz QXPPVZAYOMTENC-HXUWFJFHSA-N 1 2 380.891 3.965 20 30 GHEDLO C#Cc1cccc(C[N@H+]2Cc3ncn(CC4CC4)c3[C@@H](COCC3CC3)C2)c1 ZINC001231656103 1034813581 /nfs/dbraw/zinc/81/35/81/1034813581.db2.gz XTMOBONAIFXNED-JOCHJYFZSA-N 1 2 375.516 3.800 20 30 GHEDLO C#Cc1cccc(C[N@@H+]2Cc3ncn(CC4CC4)c3[C@@H](COCC3CC3)C2)c1 ZINC001231656103 1034813596 /nfs/dbraw/zinc/81/35/96/1034813596.db2.gz XTMOBONAIFXNED-JOCHJYFZSA-N 1 2 375.516 3.800 20 30 GHEDLO N#Cc1ccc(C[N@H+]2Cc3cncn3C[C@@H](COc3cccnc3)C2)cc1Cl ZINC001232114907 1035104831 /nfs/dbraw/zinc/10/48/31/1035104831.db2.gz ZJAPREVKSSXZKX-KRWDZBQOSA-N 1 2 393.878 3.514 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2Cc3cncn3C[C@@H](COc3cccnc3)C2)cc1Cl ZINC001232114907 1035104834 /nfs/dbraw/zinc/10/48/34/1035104834.db2.gz ZJAPREVKSSXZKX-KRWDZBQOSA-N 1 2 393.878 3.514 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ncc(C)cc1Br ZINC001277626052 1035151405 /nfs/dbraw/zinc/15/14/05/1035151405.db2.gz IDWXRPSEIPLPKS-LJQANCHMSA-N 1 2 392.341 3.686 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ncc(C)cc1Br ZINC001277626052 1035151407 /nfs/dbraw/zinc/15/14/07/1035151407.db2.gz IDWXRPSEIPLPKS-LJQANCHMSA-N 1 2 392.341 3.686 20 30 GHEDLO N#C[C@@H]1C[C@H](N2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)CCN1 ZINC001246825627 1037658736 /nfs/dbraw/zinc/65/87/36/1037658736.db2.gz IIFTWSLOEYGXAO-ZRBLBEILSA-N 1 2 394.950 3.691 20 30 GHEDLO COc1ccc(CN2CCCC[C@H]2C[N@H+](C)Cc2cc(C#N)ccc2O)cc1 ZINC001232678134 1038476388 /nfs/dbraw/zinc/47/63/88/1038476388.db2.gz QBGIMMQULLWTLF-NRFANRHFSA-N 1 2 379.504 3.759 20 30 GHEDLO COc1ccc(CN2CCCC[C@H]2C[N@@H+](C)Cc2cc(C#N)ccc2O)cc1 ZINC001232678134 1038476392 /nfs/dbraw/zinc/47/63/92/1038476392.db2.gz QBGIMMQULLWTLF-NRFANRHFSA-N 1 2 379.504 3.759 20 30 GHEDLO CC(C)(C)OC(=O)c1ccc(N2CC[NH+](Cc3cc(C#N)ccc3O)CC2)cc1 ZINC001232678414 1038476548 /nfs/dbraw/zinc/47/65/48/1038476548.db2.gz YFGVMUDKNYVCDH-UHFFFAOYSA-N 1 2 393.487 3.541 20 30 GHEDLO Cc1nsc(N2CC[NH+](Cc3ccc(C(F)(F)F)c(C)c3)CC2)c1C#N ZINC001462292670 1070149819 /nfs/dbraw/zinc/14/98/19/1070149819.db2.gz RNQNVPRITWLUPZ-UHFFFAOYSA-N 1 2 380.439 3.973 20 30 GHEDLO CC(C)CN1c2ccccc2C2(CC[NH+](Cc3[nH]ccc3C#N)CC2)CC1=O ZINC001233043508 1038802338 /nfs/dbraw/zinc/80/23/38/1038802338.db2.gz DKDWVJKVEPNHDW-UHFFFAOYSA-N 1 2 376.504 3.813 20 30 GHEDLO N#Cc1cc[nH]c1C[N@H+](Cc1ccccc1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC001233049045 1038803819 /nfs/dbraw/zinc/80/38/19/1038803819.db2.gz VYVMUCSNSDIUCR-JOCHJYFZSA-N 1 2 384.483 3.690 20 30 GHEDLO N#Cc1cc[nH]c1C[N@@H+](Cc1ccccc1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC001233049045 1038803839 /nfs/dbraw/zinc/80/38/39/1038803839.db2.gz VYVMUCSNSDIUCR-JOCHJYFZSA-N 1 2 384.483 3.690 20 30 GHEDLO CN(C)c1ccc(C[NH+]2CCN(c3nsc4ccccc43)CC2)c(F)c1C#N ZINC001233098788 1038873143 /nfs/dbraw/zinc/87/31/43/1038873143.db2.gz NPTOEPGFWSLIMV-UHFFFAOYSA-N 1 2 395.507 3.695 20 30 GHEDLO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1c(Cl)ncnc1Cl)[C@@H]2CC ZINC001233408247 1039256210 /nfs/dbraw/zinc/25/62/10/1039256210.db2.gz GNLJIQQLKZPUSI-KDOFPFPSSA-N 1 2 383.323 3.705 20 30 GHEDLO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1c(Cl)ncnc1Cl)[C@@H]2CC ZINC001233408247 1039256224 /nfs/dbraw/zinc/25/62/24/1039256224.db2.gz GNLJIQQLKZPUSI-KDOFPFPSSA-N 1 2 383.323 3.705 20 30 GHEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3ccsc3Br)C2)CC1 ZINC001233479142 1039370708 /nfs/dbraw/zinc/37/07/08/1039370708.db2.gz MBDHERBIPJVIJS-UHFFFAOYSA-N 1 2 385.327 3.731 20 30 GHEDLO COC(=O)[C@H](Cc1ccc(O)cc1)[NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254345711 1040179283 /nfs/dbraw/zinc/17/92/83/1040179283.db2.gz GMEPFRIZIQQGSC-SWCONJRYSA-N 1 2 396.462 3.609 20 30 GHEDLO CC(C)C[C@@](C)(C#N)[NH2+]C1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2 ZINC001254720299 1040477972 /nfs/dbraw/zinc/47/79/72/1040477972.db2.gz IRKZDUBRXZLMDX-SGDIKTSBSA-N 1 2 379.545 3.853 20 30 GHEDLO CN(Cc1cccc(C#N)c1)C(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC001255024558 1040737481 /nfs/dbraw/zinc/73/74/81/1040737481.db2.gz XKSPDAUYZGVYNG-UHFFFAOYSA-N 1 2 399.498 3.801 20 30 GHEDLO CC[C@H](CC#N)[NH2+]Cc1c[nH]c(=S)n1[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001255154711 1040878414 /nfs/dbraw/zinc/87/84/14/1040878414.db2.gz GBLYRJHOTSJXHD-CABCVRRESA-N 1 2 376.476 3.962 20 30 GHEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1Cc1ccccc1-c1ccncc1 ZINC001235614804 1041031278 /nfs/dbraw/zinc/03/12/78/1041031278.db2.gz HDDIIJWIDVZVGF-QFIPXVFZSA-N 1 2 389.503 3.662 20 30 GHEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1Cc1ccccc1-c1ccncc1 ZINC001235614804 1041031314 /nfs/dbraw/zinc/03/13/14/1041031314.db2.gz HDDIIJWIDVZVGF-QFIPXVFZSA-N 1 2 389.503 3.662 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1cc2ccccc2cc1OC ZINC001236679422 1041824947 /nfs/dbraw/zinc/82/49/47/1041824947.db2.gz SXTDPYQEBGRRMK-OAQYLSRUSA-N 1 2 377.488 3.884 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1cc2ccccc2cc1OC ZINC001236679422 1041824953 /nfs/dbraw/zinc/82/49/53/1041824953.db2.gz SXTDPYQEBGRRMK-OAQYLSRUSA-N 1 2 377.488 3.884 20 30 GHEDLO C=CCOC[C@@H]1C[N@H+](Cc2cccc3occc32)Cc2nnn(CC3CC3)c21 ZINC001236737939 1041867919 /nfs/dbraw/zinc/86/79/19/1041867919.db2.gz PDXKSIKEMDLHTA-SFHVURJKSA-N 1 2 378.476 3.736 20 30 GHEDLO C=CCOC[C@@H]1C[N@@H+](Cc2cccc3occc32)Cc2nnn(CC3CC3)c21 ZINC001236737939 1041867927 /nfs/dbraw/zinc/86/79/27/1041867927.db2.gz PDXKSIKEMDLHTA-SFHVURJKSA-N 1 2 378.476 3.736 20 30 GHEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cccc(Cl)c1C(=O)OCC)C2 ZINC001238046408 1042472050 /nfs/dbraw/zinc/47/20/50/1042472050.db2.gz RASPGXSSOVUDND-UWJYYQICSA-N 1 2 393.911 3.843 20 30 GHEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1cccc(Cl)c1C(=O)OCC)C2 ZINC001238046408 1042472054 /nfs/dbraw/zinc/47/20/54/1042472054.db2.gz RASPGXSSOVUDND-UWJYYQICSA-N 1 2 393.911 3.843 20 30 GHEDLO Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC001462630241 1070427875 /nfs/dbraw/zinc/42/78/75/1070427875.db2.gz PYFLZKHBGFDTSZ-QFIPXVFZSA-N 1 2 376.435 3.765 20 30 GHEDLO Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC001462630241 1070427879 /nfs/dbraw/zinc/42/78/79/1070427879.db2.gz PYFLZKHBGFDTSZ-QFIPXVFZSA-N 1 2 376.435 3.765 20 30 GHEDLO N#Cc1ccccc1N1CC[NH+](Cc2cccnc2OCc2ccccc2)CC1 ZINC001238772480 1042722216 /nfs/dbraw/zinc/72/22/16/1042722216.db2.gz PWZNIZHBGBNLDQ-UHFFFAOYSA-N 1 2 384.483 3.854 20 30 GHEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CC[C@H]2CN(C(=O)Cc3ccsc3)C[C@H]21 ZINC001278313834 1042929726 /nfs/dbraw/zinc/92/97/26/1042929726.db2.gz HYZGAUWVRZBGDM-QFBILLFUSA-N 1 2 385.920 3.549 20 30 GHEDLO N#Cc1cccc(Cl)c1C[N@H+]1CC[C@H]2CN(C(=O)Cc3ccsc3)C[C@H]21 ZINC001278313834 1042929730 /nfs/dbraw/zinc/92/97/30/1042929730.db2.gz HYZGAUWVRZBGDM-QFBILLFUSA-N 1 2 385.920 3.549 20 30 GHEDLO N#CC1(c2ccc(-c3ccc(OCC[NH+]4CCOCC4)cc3)cc2)CCOCC1 ZINC001240449177 1042930223 /nfs/dbraw/zinc/93/02/23/1042930223.db2.gz CWUACKCEJALIOF-UHFFFAOYSA-N 1 2 392.499 3.636 20 30 GHEDLO C=CC[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](c2ccccc2)C1)C(=O)OC ZINC001256940466 1043763877 /nfs/dbraw/zinc/76/38/77/1043763877.db2.gz GAGFLXHODOIGIZ-GUDVDZBRSA-N 1 2 388.508 3.835 20 30 GHEDLO COC[C@H]([NH2+]C1CCC(c2ccc(C#N)cc2)CC1)C(=O)OCc1ccccc1 ZINC001257012445 1043799416 /nfs/dbraw/zinc/79/94/16/1043799416.db2.gz GHBWCKJFXIHVEF-VNXZQDSDSA-N 1 2 392.499 3.932 20 30 GHEDLO C[C@]1(C#N)CCCN(C(=O)[C@@H](c2cccc(Br)c2)[NH+]2CCCC2)C1 ZINC001295474585 1045029083 /nfs/dbraw/zinc/02/90/83/1045029083.db2.gz DRFQGHRKIJPDBL-IEBWSBKVSA-N 1 2 390.325 3.738 20 30 GHEDLO C/C(=C\C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C[NH+]1CCOCC1 ZINC001296262441 1045290887 /nfs/dbraw/zinc/29/08/87/1045290887.db2.gz PTXNCMVQOIUCDM-ZSFFSCSXSA-N 1 2 389.499 3.681 20 30 GHEDLO C=CCCc1ccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC001462900837 1070640272 /nfs/dbraw/zinc/64/02/72/1070640272.db2.gz WHUQVFILVWAPRL-UHFFFAOYSA-N 1 2 385.464 3.609 20 30 GHEDLO C=C1CCN(c2nnc(Cc3ccncc3)n2CCCc2cccc(C)[nH+]2)CC1 ZINC001301087798 1046332946 /nfs/dbraw/zinc/33/29/46/1046332946.db2.gz VHNZZRAEXYICHT-UHFFFAOYSA-N 1 2 388.519 3.757 20 30 GHEDLO C=CCN(C)c1nnc(C2CCCC2)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001301295336 1046460900 /nfs/dbraw/zinc/46/09/00/1046460900.db2.gz IUBGPOHRGSLZLV-OAQYLSRUSA-N 1 2 395.551 3.631 20 30 GHEDLO C[C@@H]1[C@@H](C)CCN1c1nnc(C2CC[NH+](CCC#N)CC2)n1Cc1ccccc1 ZINC001263161316 1046601462 /nfs/dbraw/zinc/60/14/62/1046601462.db2.gz BQHQIPGLPOWCTN-RBUKOAKNSA-N 1 2 392.551 3.654 20 30 GHEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)[C@@H](C)c1ccco1 ZINC001263302586 1046700162 /nfs/dbraw/zinc/70/01/62/1046700162.db2.gz XJICJYZWFGDWTD-KRWDZBQOSA-N 1 2 382.512 3.738 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1C[C@H](C)OC2(CCC2)C1 ZINC001263304655 1046702296 /nfs/dbraw/zinc/70/22/96/1046702296.db2.gz HOJIQBJHDFZAFP-RBUKOAKNSA-N 1 2 398.555 3.834 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC)OCC)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001263319414 1046710685 /nfs/dbraw/zinc/71/06/85/1046710685.db2.gz PNAZSXBQHRPBDI-GOSISDBHSA-N 1 2 384.528 3.818 20 30 GHEDLO CC(C)Cn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC[C@H](C#N)C1 ZINC001263417757 1046799568 /nfs/dbraw/zinc/79/95/68/1046799568.db2.gz MWGJABCHENLHEQ-UYAOXDASSA-N 1 2 380.540 3.867 20 30 GHEDLO CC(C)Cn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC[C@H](C#N)C1 ZINC001263417757 1046799580 /nfs/dbraw/zinc/79/95/80/1046799580.db2.gz MWGJABCHENLHEQ-UYAOXDASSA-N 1 2 380.540 3.867 20 30 GHEDLO C[N@@H+]1CCC[C@H]1c1nnc(N2Cc3ccc(C#N)cc3C2)n1Cc1cccs1 ZINC001263489707 1046891092 /nfs/dbraw/zinc/89/10/92/1046891092.db2.gz XYANWGIDKLLCON-IBGZPJMESA-N 1 2 390.516 3.546 20 30 GHEDLO C[N@H+]1CCC[C@H]1c1nnc(N2Cc3ccc(C#N)cc3C2)n1Cc1cccs1 ZINC001263489707 1046891109 /nfs/dbraw/zinc/89/11/09/1046891109.db2.gz XYANWGIDKLLCON-IBGZPJMESA-N 1 2 390.516 3.546 20 30 GHEDLO C=CC[C@@H]1N(c2nnc([C@@H]3CCC[N@H+]3C)n2C[C@@H]2CCOC2)CCCC1(C)C ZINC001263570685 1046956158 /nfs/dbraw/zinc/95/61/58/1046956158.db2.gz IAHYGHYSLFFIDL-FHWLQOOXSA-N 1 2 387.572 3.652 20 30 GHEDLO C=CC[C@@H]1N(c2nnc([C@@H]3CCC[N@@H+]3C)n2C[C@@H]2CCOC2)CCCC1(C)C ZINC001263570685 1046956164 /nfs/dbraw/zinc/95/61/64/1046956164.db2.gz IAHYGHYSLFFIDL-FHWLQOOXSA-N 1 2 387.572 3.652 20 30 GHEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cnc(-c3c(Cl)cccc3Cl)s2)C1 ZINC001303559094 1047429441 /nfs/dbraw/zinc/42/94/41/1047429441.db2.gz UPGHTBUNZAXCDV-GFCCVEGCSA-N 1 2 394.327 3.944 20 30 GHEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc(-c3c(Cl)cccc3Cl)s2)C1 ZINC001303559094 1047429445 /nfs/dbraw/zinc/42/94/45/1047429445.db2.gz UPGHTBUNZAXCDV-GFCCVEGCSA-N 1 2 394.327 3.944 20 30 GHEDLO Cc1cn2c([nH+]1)[C@H](Cn1c(-c3ccc(C)o3)nnc1N(C)C[C@H](C)C#N)CCC2 ZINC001304607766 1047729761 /nfs/dbraw/zinc/72/97/61/1047729761.db2.gz FOPHFPNAZJTPBZ-PBHICJAKSA-N 1 2 393.495 3.525 20 30 GHEDLO CSc1ccc(Cl)cc1CN1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001280155756 1048107899 /nfs/dbraw/zinc/10/78/99/1048107899.db2.gz AGBMYZHUQORCGR-UHFFFAOYSA-N 1 2 386.952 3.590 20 30 GHEDLO CSc1ccc(Cl)cc1C[NH+]1CC2(CN(Cc3cc(C#N)n(C)c3)C2)C1 ZINC001280155756 1048107905 /nfs/dbraw/zinc/10/79/05/1048107905.db2.gz AGBMYZHUQORCGR-UHFFFAOYSA-N 1 2 386.952 3.590 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCC2(C)CC2)CC1 ZINC001286473656 1048335948 /nfs/dbraw/zinc/33/59/48/1048335948.db2.gz VVPAOEPMUSQIRD-NRFANRHFSA-N 1 2 391.563 3.765 20 30 GHEDLO C=CC1CCN(c2nnc([C@H]3CCOC3)n2CCCc2cccc(C)[nH+]2)CC1 ZINC001286663012 1048429234 /nfs/dbraw/zinc/42/92/34/1048429234.db2.gz DMPWEULFXUULQG-IBGZPJMESA-N 1 2 381.524 3.521 20 30 GHEDLO C=CC[C@H]1CCC[N@@H+](CC(=O)N=c2cc[nH]n2Cc2ccc(C(C)C)cc2)C1 ZINC001307914782 1049692031 /nfs/dbraw/zinc/69/20/31/1049692031.db2.gz LDFUJHOAWPBGRG-IBGZPJMESA-N 1 2 380.536 3.703 20 30 GHEDLO C=CC[C@H]1CCC[N@H+](CC(=O)N=c2cc[nH]n2Cc2ccc(C(C)C)cc2)C1 ZINC001307914782 1049692037 /nfs/dbraw/zinc/69/20/37/1049692037.db2.gz LDFUJHOAWPBGRG-IBGZPJMESA-N 1 2 380.536 3.703 20 30 GHEDLO C=C[C@@](C)(O)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC001290264862 1049784360 /nfs/dbraw/zinc/78/43/60/1049784360.db2.gz HLBJTCJSHQMQDG-HXUWFJFHSA-N 1 2 390.936 3.650 20 30 GHEDLO CC[C@@H]([NH2+]CCNC(=O)c1ccccc1C(F)(F)F)c1cccc(C#N)c1O ZINC001332867293 1051586570 /nfs/dbraw/zinc/58/65/70/1051586570.db2.gz XCXFUKZABQAHEO-QGZVFWFLSA-N 1 2 391.393 3.753 20 30 GHEDLO Cc1cccc(CCCn2c(-c3ccccc3)nnc2N2CC[C@](F)(C#N)C2)[nH+]1 ZINC001492525671 1052052009 /nfs/dbraw/zinc/05/20/09/1052052009.db2.gz GLZWFZZXYWKAOF-QFIPXVFZSA-N 1 2 390.466 3.723 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001342329011 1053110142 /nfs/dbraw/zinc/11/01/42/1053110142.db2.gz MFHQDPSKODYUKC-VQTJNVASSA-N 1 2 399.514 3.728 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001342329011 1053110150 /nfs/dbraw/zinc/11/01/50/1053110150.db2.gz MFHQDPSKODYUKC-VQTJNVASSA-N 1 2 399.514 3.728 20 30 GHEDLO C=CCO[C@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2N)C1 ZINC001342658772 1053285718 /nfs/dbraw/zinc/28/57/18/1053285718.db2.gz YQWANYSVKNMCCR-LBPRGKRZSA-N 1 2 390.119 3.571 20 30 GHEDLO C=CCO[C@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2N)C1 ZINC001342658772 1053285725 /nfs/dbraw/zinc/28/57/25/1053285725.db2.gz YQWANYSVKNMCCR-LBPRGKRZSA-N 1 2 390.119 3.571 20 30 GHEDLO C=C(C)Cn1c(N2CCC(Nc3cccc[nH+]3)CC2)nnc1C1(C#N)CCCC1 ZINC001342664550 1053287833 /nfs/dbraw/zinc/28/78/33/1053287833.db2.gz LIFGMTLUJFIQNJ-UHFFFAOYSA-N 1 2 391.523 3.665 20 30 GHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(CC(C)(C)C#N)n1CC ZINC001342956187 1053458154 /nfs/dbraw/zinc/45/81/54/1053458154.db2.gz JSDWCZLXVNBKIQ-UHFFFAOYSA-N 1 2 395.555 3.528 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCOC2(CCCC2)C1 ZINC001343574229 1053900886 /nfs/dbraw/zinc/90/08/86/1053900886.db2.gz ABCICMZURGVBHO-LJQANCHMSA-N 1 2 398.555 3.836 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC([C@H]3c4ccccc4NC3=O)CC2)c1C ZINC001319042227 1055006938 /nfs/dbraw/zinc/00/69/38/1055006938.db2.gz VIRJXLUDBHDJSJ-QHCPKHFHSA-N 1 2 391.515 3.922 20 30 GHEDLO C=CCO[C@@H]1CC[N@@H+](CC(=O)N(CC(F)(F)F)c2ccc(Cl)cc2)C1 ZINC001320155919 1055679061 /nfs/dbraw/zinc/67/90/61/1055679061.db2.gz FVMPPLDXJVZDJO-OAHLLOKOSA-N 1 2 376.806 3.512 20 30 GHEDLO C=CCO[C@@H]1CC[N@H+](CC(=O)N(CC(F)(F)F)c2ccc(Cl)cc2)C1 ZINC001320155919 1055679066 /nfs/dbraw/zinc/67/90/66/1055679066.db2.gz FVMPPLDXJVZDJO-OAHLLOKOSA-N 1 2 376.806 3.512 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCO[C@H](c2ccccc2C)C1 ZINC001355930691 1057321206 /nfs/dbraw/zinc/32/12/06/1057321206.db2.gz ZJLNQRFUHGUBEO-UXHICEINSA-N 1 2 381.524 3.507 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCO[C@H](c2ccccc2C)C1 ZINC001355930691 1057321213 /nfs/dbraw/zinc/32/12/13/1057321213.db2.gz ZJLNQRFUHGUBEO-UXHICEINSA-N 1 2 381.524 3.507 20 30 GHEDLO C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(-c4[nH]cc[nH+]4)cc3)n[nH]2)c1C ZINC001442511881 1058970575 /nfs/dbraw/zinc/97/05/75/1058970575.db2.gz BMYIZEXZHBZQCG-UHFFFAOYSA-N 1 2 387.447 3.718 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC[C@@]2(CC2(F)F)C1 ZINC001340640975 1060012853 /nfs/dbraw/zinc/01/28/53/1060012853.db2.gz KZBMOLFNTBEOSK-CRAIPNDOSA-N 1 2 376.455 3.532 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2Cc2ccccc2)nnc1N1CCC2(CCC2)C1 ZINC001340734051 1060082256 /nfs/dbraw/zinc/08/22/56/1060082256.db2.gz YYTDVRZDYVMSBQ-UHFFFAOYSA-N 1 2 388.519 3.680 20 30 GHEDLO CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N(C)Cc1cc(C#N)cs1 ZINC001340961404 1060289082 /nfs/dbraw/zinc/28/90/82/1060289082.db2.gz QWOYMZUMJBLGLA-QGZVFWFLSA-N 1 2 383.525 3.700 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCS[C@@H](c2ccccc2)C1 ZINC001346188036 1061437373 /nfs/dbraw/zinc/43/73/73/1061437373.db2.gz ORYRJTSLYDFHIG-RBUKOAKNSA-N 1 2 383.565 3.915 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCS[C@@H](c2ccccc2)C1 ZINC001346188036 1061437375 /nfs/dbraw/zinc/43/73/75/1061437375.db2.gz ORYRJTSLYDFHIG-RBUKOAKNSA-N 1 2 383.565 3.915 20 30 GHEDLO C[N@@H+]1CCC[C@@H]1c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CC1CC1 ZINC001346601356 1061719643 /nfs/dbraw/zinc/71/96/43/1061719643.db2.gz CSIYIPOKPBWDMI-OAQYLSRUSA-N 1 2 388.519 3.620 20 30 GHEDLO C[N@H+]1CCC[C@@H]1c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CC1CC1 ZINC001346601356 1061719658 /nfs/dbraw/zinc/71/96/58/1061719658.db2.gz CSIYIPOKPBWDMI-OAQYLSRUSA-N 1 2 388.519 3.620 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@H](C2CCOCC2)C1 ZINC001346627349 1061744731 /nfs/dbraw/zinc/74/47/31/1061744731.db2.gz LSEPEXSTTSXSID-UXHICEINSA-N 1 2 387.572 3.654 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@H](C2CCOCC2)C1 ZINC001346627349 1061744745 /nfs/dbraw/zinc/74/47/45/1061744745.db2.gz LSEPEXSTTSXSID-UXHICEINSA-N 1 2 387.572 3.654 20 30 GHEDLO Cc1ccc(C(=O)/C=C\C(=O)N2CC[NH+](Cc3cccc4cccnc43)CC2)cc1 ZINC001454449057 1061782232 /nfs/dbraw/zinc/78/22/32/1061782232.db2.gz HMIPQTMZYPBMLJ-QXMHVHEDSA-N 1 2 399.494 3.627 20 30 GHEDLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2ccc(C#N)c(OC)c2)CC1 ZINC001455453799 1062157613 /nfs/dbraw/zinc/15/76/13/1062157613.db2.gz HPGGXUWSOCGCOU-HXUWFJFHSA-N 1 2 381.451 3.615 20 30 GHEDLO C[C@H]1C[C@H](C)N(c2nnc(C3CC[NH+](CCC#N)CC3)n2Cc2cccs2)C1 ZINC001348392528 1063045562 /nfs/dbraw/zinc/04/55/62/1063045562.db2.gz QZMIZEQCWMFCTB-IRXDYDNUSA-N 1 2 398.580 3.716 20 30 GHEDLO C#CCSCC(=O)N1CC[N@@H+](Cc2ccc(Cl)cc2)C[C@@H]1CC(C)C ZINC001436521569 1063501384 /nfs/dbraw/zinc/50/13/84/1063501384.db2.gz SDXHOAGIRBAAOT-IBGZPJMESA-N 1 2 378.969 3.765 20 30 GHEDLO C#CCSCC(=O)N1CC[N@H+](Cc2ccc(Cl)cc2)C[C@@H]1CC(C)C ZINC001436521569 1063501405 /nfs/dbraw/zinc/50/14/05/1063501405.db2.gz SDXHOAGIRBAAOT-IBGZPJMESA-N 1 2 378.969 3.765 20 30 GHEDLO C=CCOc1ccc(CC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC001437968002 1063957206 /nfs/dbraw/zinc/95/72/06/1063957206.db2.gz ONAIPZOTBAWCKH-OAQYLSRUSA-N 1 2 375.472 3.628 20 30 GHEDLO C=CCC[C@H](O)C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1OC ZINC001460003953 1064336786 /nfs/dbraw/zinc/33/67/86/1064336786.db2.gz IFBZWFKEKSLXCZ-PKOBYXMFSA-N 1 2 390.524 3.616 20 30 GHEDLO C=CCC[C@H](O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1OC ZINC001460003953 1064336794 /nfs/dbraw/zinc/33/67/94/1064336794.db2.gz IFBZWFKEKSLXCZ-PKOBYXMFSA-N 1 2 390.524 3.616 20 30 GHEDLO N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)cc2)nc1 ZINC001465432300 1065609528 /nfs/dbraw/zinc/60/95/28/1065609528.db2.gz ZOKHMSKHPWJRAH-GOSISDBHSA-N 1 2 388.431 3.811 20 30 GHEDLO C/C(=C\C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)C[NH+]1CCOCC1 ZINC001467348437 1067242371 /nfs/dbraw/zinc/24/23/71/1067242371.db2.gz LHSWGHHWHABWCD-GHRIWEEISA-N 1 2 377.444 3.568 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2[C@H]2C[C@H](c3ccccc3C)C2)CC1 ZINC001359028729 1067658704 /nfs/dbraw/zinc/65/87/04/1067658704.db2.gz CLPSJQFDYZBHRQ-HMXCVIKNSA-N 1 2 391.563 3.974 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCC)CC1 ZINC001359031978 1067659338 /nfs/dbraw/zinc/65/93/38/1067659338.db2.gz WRMGBEVLZYWABL-UHFFFAOYSA-N 1 2 379.552 3.798 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCCCC2(F)F)CC1 ZINC001359032869 1067659570 /nfs/dbraw/zinc/65/95/70/1067659570.db2.gz GYAUFLKBWXGPMG-IBGZPJMESA-N 1 2 399.489 3.526 20 30 GHEDLO C=CCN(c1nnc(Cc2ccccc2F)n1Cc1c[nH+]ccc1OC)C1CC1 ZINC001359251977 1067904194 /nfs/dbraw/zinc/90/41/94/1067904194.db2.gz AIHKFPUBFASDAY-UHFFFAOYSA-N 1 2 393.466 3.615 20 30 GHEDLO N#CC[C@H](C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1)c1ccccc1 ZINC001359969819 1068285173 /nfs/dbraw/zinc/28/51/73/1068285173.db2.gz VNQYNXCSLXGKMX-IBGZPJMESA-N 1 2 398.470 3.959 20 30 GHEDLO CC#CCCNC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC001469840534 1068422606 /nfs/dbraw/zinc/42/26/06/1068422606.db2.gz CWGZRUFVJGRNGT-UHFFFAOYSA-N 1 2 385.508 3.795 20 30 GHEDLO C[C@H](CC#N)N(C)c1nnc(-c2ccccc2)n1CCc1cn2ccccc2[nH+]1 ZINC001360471952 1068520201 /nfs/dbraw/zinc/52/02/01/1068520201.db2.gz SAJSQJKMJYHDGP-QGZVFWFLSA-N 1 2 385.475 3.574 20 30 GHEDLO C[N@@H+](Cc1ccc(Br)cc1C#N)C[C@H]1CCN1C(=O)OC(C)(C)C ZINC001460855392 1069225686 /nfs/dbraw/zinc/22/56/86/1069225686.db2.gz GSTREPOHWQASIR-MRXNPFEDSA-N 1 2 394.313 3.762 20 30 GHEDLO C[N@H+](Cc1ccc(Br)cc1C#N)C[C@H]1CCN1C(=O)OC(C)(C)C ZINC001460855392 1069225702 /nfs/dbraw/zinc/22/57/02/1069225702.db2.gz GSTREPOHWQASIR-MRXNPFEDSA-N 1 2 394.313 3.762 20 30 GHEDLO C[N@@H+]1CCO[C@@H]([C@H](Nc2cc(C#N)sc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC001472746578 1073647400 /nfs/dbraw/zinc/64/74/00/1073647400.db2.gz AVZBVALDCKBNHJ-HZPDHXFCSA-N 1 2 392.868 3.665 20 30 GHEDLO C[N@H+]1CCO[C@@H]([C@H](Nc2cc(C#N)sc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC001472746578 1073647407 /nfs/dbraw/zinc/64/74/07/1073647407.db2.gz AVZBVALDCKBNHJ-HZPDHXFCSA-N 1 2 392.868 3.665 20 30 GHEDLO CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)C[NH2+][C@@H](CC)CC#N ZINC001473532795 1074005836 /nfs/dbraw/zinc/00/58/36/1074005836.db2.gz PSLZERHVSFVWJY-HNNXBMFYSA-N 1 2 385.489 3.812 20 30 GHEDLO Cc1sc(NC(=O)C[NH+]2CCC(c3ccc(C#N)cc3)CC2)c(C#N)c1C ZINC001473838728 1074167400 /nfs/dbraw/zinc/16/74/00/1074167400.db2.gz KIUPIAMJYSVQAS-UHFFFAOYSA-N 1 2 378.501 3.926 20 30 GHEDLO COC(=O)c1ccc(COc2ccc(C[N@H+](C[C@H](C)C#N)C3CC3)cc2OC)o1 ZINC001474359398 1074361961 /nfs/dbraw/zinc/36/19/61/1074361961.db2.gz SMGNOVLZRCHOOP-OAHLLOKOSA-N 1 2 398.459 3.778 20 30 GHEDLO COC(=O)c1ccc(COc2ccc(C[N@@H+](C[C@H](C)C#N)C3CC3)cc2OC)o1 ZINC001474359398 1074361967 /nfs/dbraw/zinc/36/19/67/1074361967.db2.gz SMGNOVLZRCHOOP-OAHLLOKOSA-N 1 2 398.459 3.778 20 30 GHEDLO N#Cc1cnc2c(F)ccc(F)c2c1N1CCC[N@H+](Cc2cscn2)CC1 ZINC000610275963 837478318 /nfs/dbraw/zinc/47/83/18/837478318.db2.gz NKWLNRWTFMHWGT-UHFFFAOYSA-N 1 2 385.443 3.553 20 30 GHEDLO N#Cc1cnc2c(F)ccc(F)c2c1N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000610275963 837478326 /nfs/dbraw/zinc/47/83/26/837478326.db2.gz NKWLNRWTFMHWGT-UHFFFAOYSA-N 1 2 385.443 3.553 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)CC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000458626899 834809444 /nfs/dbraw/zinc/80/94/44/834809444.db2.gz QEGAXTOOFLVOHJ-DLBZAZTESA-N 1 2 380.895 3.853 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)NCC(C)(C)CC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000458626899 834809453 /nfs/dbraw/zinc/80/94/53/834809453.db2.gz QEGAXTOOFLVOHJ-DLBZAZTESA-N 1 2 380.895 3.853 20 30 GHEDLO CC(C)(C)c1nc(=NC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)s[nH]1 ZINC000329313198 834823348 /nfs/dbraw/zinc/82/33/48/834823348.db2.gz DBUUXOKHJBPUFW-CYBMUJFWSA-N 1 2 393.582 3.557 20 30 GHEDLO CC(C)(C)c1nc(=NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)s[nH]1 ZINC000329313198 834823357 /nfs/dbraw/zinc/82/33/57/834823357.db2.gz DBUUXOKHJBPUFW-CYBMUJFWSA-N 1 2 393.582 3.557 20 30 GHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000157639191 835303424 /nfs/dbraw/zinc/30/34/24/835303424.db2.gz LVLVRARMFBGWTM-YJBOKZPZSA-N 1 2 379.435 3.619 20 30 GHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000157639191 835303435 /nfs/dbraw/zinc/30/34/35/835303435.db2.gz LVLVRARMFBGWTM-YJBOKZPZSA-N 1 2 379.435 3.619 20 30 GHEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000179641989 835917792 /nfs/dbraw/zinc/91/77/92/835917792.db2.gz HPJFKEWBYZZAQC-INIZCTEOSA-N 1 2 391.450 3.626 20 30 GHEDLO Cc1cc(Br)ccc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000048163654 835938339 /nfs/dbraw/zinc/93/83/39/835938339.db2.gz VKNGMKAGOSZHSG-UHFFFAOYSA-N 1 2 398.304 3.587 20 30 GHEDLO CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(c2ccncc2C#N)CC1 ZINC000548480218 844119346 /nfs/dbraw/zinc/11/93/46/844119346.db2.gz FDTOQCMSSCIVIV-SFHVURJKSA-N 1 2 385.309 3.989 20 30 GHEDLO C[C@@]1(C#N)CCCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000612366831 836124352 /nfs/dbraw/zinc/12/43/52/836124352.db2.gz XQRSANOKKKFCDO-HKUYNNGSSA-N 1 2 390.325 3.738 20 30 GHEDLO N#Cc1ccc(OCc2cccc(C(=O)N3CC[C@H](Oc4cc[nH+]cc4)C3)c2)cc1 ZINC000120723121 836155891 /nfs/dbraw/zinc/15/58/91/836155891.db2.gz NUTRFRDGEGAPNV-QHCPKHFHSA-N 1 2 399.450 3.826 20 30 GHEDLO COC1(C(F)(F)F)CC[NH+](CC(=O)N(CCC#N)c2cccc(C)c2C)CC1 ZINC000419339493 844150110 /nfs/dbraw/zinc/15/01/10/844150110.db2.gz XVUSMXFCATVMDN-UHFFFAOYSA-N 1 2 397.441 3.593 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000170651322 836530281 /nfs/dbraw/zinc/53/02/81/836530281.db2.gz UERSKIJVMFWIHN-UHFFFAOYSA-N 1 2 386.858 3.866 20 30 GHEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H]2c2ccc(OC)c(OC)c2)c1C#N ZINC000535977740 837915887 /nfs/dbraw/zinc/91/58/87/837915887.db2.gz GUORWIMCGLIWEU-LJQANCHMSA-N 1 2 380.444 3.699 20 30 GHEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@@H]2c2ccc(OC)c(OC)c2)c1C#N ZINC000535977740 837915894 /nfs/dbraw/zinc/91/58/94/837915894.db2.gz GUORWIMCGLIWEU-LJQANCHMSA-N 1 2 380.444 3.699 20 30 GHEDLO N#Cc1ccc(OCCC[N@@H+]2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)cc1 ZINC000376541146 837949886 /nfs/dbraw/zinc/94/98/86/837949886.db2.gz MVXAAGCTPULMKA-RTBURBONSA-N 1 2 382.464 3.789 20 30 GHEDLO N#Cc1ccc(OCCC[N@H+]2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)cc1 ZINC000376541146 837949890 /nfs/dbraw/zinc/94/98/90/837949890.db2.gz MVXAAGCTPULMKA-RTBURBONSA-N 1 2 382.464 3.789 20 30 GHEDLO C[C@@H](c1nnc(SCCOCCC#N)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000549340788 838015602 /nfs/dbraw/zinc/01/56/02/838015602.db2.gz ZZHYYKXJMLKBRM-KRWDZBQOSA-N 1 2 385.537 3.837 20 30 GHEDLO N#Cc1cc(O)cc(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1 ZINC000614363169 844294625 /nfs/dbraw/zinc/29/46/25/844294625.db2.gz IYNJAJUDWGROBQ-SFHVURJKSA-N 1 2 387.842 3.623 20 30 GHEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)c(O)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000189124941 838200315 /nfs/dbraw/zinc/20/03/15/838200315.db2.gz VWSLGVUKYHOEEL-MJGOQNOKSA-N 1 2 387.842 3.622 20 30 GHEDLO CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)c(O)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000189124941 838200329 /nfs/dbraw/zinc/20/03/29/838200329.db2.gz VWSLGVUKYHOEEL-MJGOQNOKSA-N 1 2 387.842 3.622 20 30 GHEDLO COc1cc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)ccc1OC(F)F ZINC000178868051 838483342 /nfs/dbraw/zinc/48/33/42/838483342.db2.gz SYHBHYHAKSGDJO-GOSISDBHSA-N 1 2 387.430 3.679 20 30 GHEDLO CO[C@H]1C[C@@H](C(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)[N@H+](C)C1 ZINC000329009903 844364669 /nfs/dbraw/zinc/36/46/69/844364669.db2.gz HSLXEMBINQKLQW-IAKTWSEQSA-N 1 2 378.538 3.575 20 30 GHEDLO CO[C@H]1C[C@@H](C(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)[N@@H+](C)C1 ZINC000329009903 844364683 /nfs/dbraw/zinc/36/46/83/844364683.db2.gz HSLXEMBINQKLQW-IAKTWSEQSA-N 1 2 378.538 3.575 20 30 GHEDLO CC(C)CCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000083250221 838770222 /nfs/dbraw/zinc/77/02/22/838770222.db2.gz SQLHTAZTRAINNQ-LSDHHAIUSA-N 1 2 375.538 3.572 20 30 GHEDLO CC(C)CCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000083250221 838770228 /nfs/dbraw/zinc/77/02/28/838770228.db2.gz SQLHTAZTRAINNQ-LSDHHAIUSA-N 1 2 375.538 3.572 20 30 GHEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000511736992 840576058 /nfs/dbraw/zinc/57/60/58/840576058.db2.gz JGXMGGMZIWTQFF-AHRSYUTCSA-N 1 2 376.504 3.832 20 30 GHEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3ccc(Cl)c(C#N)c3)CC2)c1 ZINC000542725895 844578443 /nfs/dbraw/zinc/57/84/43/844578443.db2.gz CMNPCVIMMNQXJJ-OAHLLOKOSA-N 1 2 383.879 3.739 20 30 GHEDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1cccc(C(=O)Nc3cccc(C#N)c3)c1)C2 ZINC000162425930 840929060 /nfs/dbraw/zinc/92/90/60/840929060.db2.gz SCSPMGIHKARSCB-QGZVFWFLSA-N 1 2 399.454 3.586 20 30 GHEDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1cccc(C(=O)Nc3cccc(C#N)c3)c1)CC2 ZINC000162425930 840929066 /nfs/dbraw/zinc/92/90/66/840929066.db2.gz SCSPMGIHKARSCB-QGZVFWFLSA-N 1 2 399.454 3.586 20 30 GHEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@@H]3c3ncc[nH]3)sc2C1 ZINC000334047017 841080614 /nfs/dbraw/zinc/08/06/14/841080614.db2.gz QJXCXZTUSAHJFB-XJKSGUPXSA-N 1 2 383.521 3.633 20 30 GHEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCC[C@@H]3c3ncc[nH]3)sc2C1 ZINC000334047017 841080621 /nfs/dbraw/zinc/08/06/21/841080621.db2.gz QJXCXZTUSAHJFB-XJKSGUPXSA-N 1 2 383.521 3.633 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H](c3cccs3)C3CC3)CC2)cc1 ZINC000603802909 861201878 /nfs/dbraw/zinc/20/18/78/861201878.db2.gz ADZAZWZEVXTQDN-FQEVSTJZSA-N 1 2 380.517 3.598 20 30 GHEDLO C[C@@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)C[C@@H](O)COc1ccccc1C#N ZINC000599434053 861205229 /nfs/dbraw/zinc/20/52/29/861205229.db2.gz PTGWGIRQIXUCAN-XJKSGUPXSA-N 1 2 384.867 3.521 20 30 GHEDLO C[C@@H](c1nc2ccc(Cl)cc2[nH]1)[N@@H+](C)C[C@@H](O)COc1ccccc1C#N ZINC000599434053 861205246 /nfs/dbraw/zinc/20/52/46/861205246.db2.gz PTGWGIRQIXUCAN-XJKSGUPXSA-N 1 2 384.867 3.521 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@H]3CCCCC(F)(F)C3)CC2)cc1 ZINC000581702385 842053215 /nfs/dbraw/zinc/05/32/15/842053215.db2.gz CAFCEWMKTRWOGG-IBGZPJMESA-N 1 2 390.478 3.601 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCc3c(ncn3-c3ccccc3)C2)c(OC(F)F)c1 ZINC000481283727 842225793 /nfs/dbraw/zinc/22/57/93/842225793.db2.gz KNOGUORQPAADQZ-UHFFFAOYSA-N 1 2 380.398 3.904 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCc3c(ncn3-c3ccccc3)C2)c(OC(F)F)c1 ZINC000481283727 842225804 /nfs/dbraw/zinc/22/58/04/842225804.db2.gz KNOGUORQPAADQZ-UHFFFAOYSA-N 1 2 380.398 3.904 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)c2c(C)cc(C)[nH]c2=O)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000329349342 861312612 /nfs/dbraw/zinc/31/26/12/861312612.db2.gz WKPBHNUZLBPTOM-YJBOKZPZSA-N 1 2 393.409 3.961 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)c2c(C)cc(C)[nH]c2=O)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000329349342 861312632 /nfs/dbraw/zinc/31/26/32/861312632.db2.gz WKPBHNUZLBPTOM-YJBOKZPZSA-N 1 2 393.409 3.961 20 30 GHEDLO C[C@@H](c1cccc(NC(=O)c2cccc(SCC#N)c2)c1)[NH+]1CCOCC1 ZINC000430690708 842619387 /nfs/dbraw/zinc/61/93/87/842619387.db2.gz JCBCOKKDTCSMSO-INIZCTEOSA-N 1 2 381.501 3.948 20 30 GHEDLO N#Cc1ccccc1OCc1cccc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000265133170 842655803 /nfs/dbraw/zinc/65/58/03/842655803.db2.gz ACSDAJSESSJGIB-UHFFFAOYSA-N 1 2 386.455 3.880 20 30 GHEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH2+][C@@H](C)c2nccs2)c1C#N ZINC000184442752 842748948 /nfs/dbraw/zinc/74/89/48/842748948.db2.gz WTWSJFIHYKGKLS-ZDUSSCGKSA-N 1 2 397.479 3.851 20 30 GHEDLO COc1cccc([C@H]2C[N@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)CCO2)c1 ZINC000120337929 842902551 /nfs/dbraw/zinc/90/25/51/842902551.db2.gz ZVIXLSHYSZPAEJ-HXUWFJFHSA-N 1 2 399.878 3.622 20 30 GHEDLO COc1cccc([C@H]2C[N@@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)CCO2)c1 ZINC000120337929 842902556 /nfs/dbraw/zinc/90/25/56/842902556.db2.gz ZVIXLSHYSZPAEJ-HXUWFJFHSA-N 1 2 399.878 3.622 20 30 GHEDLO N#Cc1cc(F)cc(C2(C(=O)NCc3cc[nH+]c(N4CCCCCC4)c3)CC2)c1 ZINC000510682580 843187713 /nfs/dbraw/zinc/18/77/13/843187713.db2.gz OQBCWDDNKVNDJC-UHFFFAOYSA-N 1 2 392.478 3.821 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)c(C#N)c1C ZINC000278899925 843637567 /nfs/dbraw/zinc/63/75/67/843637567.db2.gz JQKRNATUYPSPJC-IUCAKERBSA-N 1 2 386.399 3.921 20 30 GHEDLO Brc1ccc(CN(CC#Cc2ccccc2)CCn2cc[nH+]c2)o1 ZINC000510871008 843672264 /nfs/dbraw/zinc/67/22/64/843672264.db2.gz BCLKJWIDGJHKFW-UHFFFAOYSA-N 1 2 384.277 3.793 20 30 GHEDLO COC(=O)[C@H](c1ccccc1C)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512818641 843813552 /nfs/dbraw/zinc/81/35/52/843813552.db2.gz WQFXBJPDOWCFNE-NRFANRHFSA-N 1 2 382.435 3.763 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000512451401 843841432 /nfs/dbraw/zinc/84/14/32/843841432.db2.gz ZFGSTUVXXYEEQF-CQSZACIVSA-N 1 2 387.867 3.702 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000512451401 843841443 /nfs/dbraw/zinc/84/14/43/843841443.db2.gz ZFGSTUVXXYEEQF-CQSZACIVSA-N 1 2 387.867 3.702 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](Cc3csc(-c4ncccn4)n3)CC2)c(F)c1 ZINC000512839621 843860614 /nfs/dbraw/zinc/86/06/14/843860614.db2.gz JINRRDYYPHADJU-UHFFFAOYSA-N 1 2 395.463 3.654 20 30 GHEDLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677845 861467833 /nfs/dbraw/zinc/46/78/33/861467833.db2.gz PMPBHSMROOTBNI-AWEZNQCLSA-N 1 2 383.879 3.800 20 30 GHEDLO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677845 861467841 /nfs/dbraw/zinc/46/78/41/861467841.db2.gz PMPBHSMROOTBNI-AWEZNQCLSA-N 1 2 383.879 3.800 20 30 GHEDLO CN(CCC#N)c1ccc(C[NH2+][C@H](c2nccn2C)c2cccc(F)c2)cc1 ZINC000237208384 843919282 /nfs/dbraw/zinc/91/92/82/843919282.db2.gz AWAUQXMBIOKLEU-NRFANRHFSA-N 1 2 377.467 3.788 20 30 GHEDLO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(Br)cc1CN(C)C[C@H](C)C#N ZINC000432944202 844682470 /nfs/dbraw/zinc/68/24/70/844682470.db2.gz QQXQRTIWCOJLFQ-LSDHHAIUSA-N 1 2 377.330 3.632 20 30 GHEDLO C[C@@H](C#N)C[N@H+](C)Cc1ccc(Br)cc1CN(C)C[C@H](C)C#N ZINC000432944202 844682481 /nfs/dbraw/zinc/68/24/81/844682481.db2.gz QQXQRTIWCOJLFQ-LSDHHAIUSA-N 1 2 377.330 3.632 20 30 GHEDLO N#Cc1ccc(C2=CC[N@H+]([C@H](C(=O)NC3CC3)c3ccc(F)cc3)CC2)cc1 ZINC000502518237 846171207 /nfs/dbraw/zinc/17/12/07/846171207.db2.gz VQVJJIRHAWQALL-QFIPXVFZSA-N 1 2 375.447 3.806 20 30 GHEDLO N#Cc1ccc(C2=CC[N@@H+]([C@H](C(=O)NC3CC3)c3ccc(F)cc3)CC2)cc1 ZINC000502518237 846171208 /nfs/dbraw/zinc/17/12/08/846171208.db2.gz VQVJJIRHAWQALL-QFIPXVFZSA-N 1 2 375.447 3.806 20 30 GHEDLO CC(C)(C)c1cccc(OCC[N@@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000513665409 846231864 /nfs/dbraw/zinc/23/18/64/846231864.db2.gz DNQSICWXESPKKN-UUOWRZLLSA-N 1 2 389.499 3.708 20 30 GHEDLO CC(C)(C)c1cccc(OCC[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000513665409 846231879 /nfs/dbraw/zinc/23/18/79/846231879.db2.gz DNQSICWXESPKKN-UUOWRZLLSA-N 1 2 389.499 3.708 20 30 GHEDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N[C@H]1c2ccccc2C[C@@H]1O ZINC000329574352 861693269 /nfs/dbraw/zinc/69/32/69/861693269.db2.gz ARJJIZHMKDCYHT-SFTDATJTSA-N 1 2 388.471 3.680 20 30 GHEDLO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000501247971 846780792 /nfs/dbraw/zinc/78/07/92/846780792.db2.gz MCHSLLMWWBMJGH-IBGZPJMESA-N 1 2 389.455 3.707 20 30 GHEDLO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000501247971 846780801 /nfs/dbraw/zinc/78/08/01/846780801.db2.gz MCHSLLMWWBMJGH-IBGZPJMESA-N 1 2 389.455 3.707 20 30 GHEDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000329600149 861745145 /nfs/dbraw/zinc/74/51/45/861745145.db2.gz DWPWWHINKNSYES-ZWKOTPCHSA-N 1 2 380.492 3.790 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3cc4c(s3)CCCC4)CC2)cc1 ZINC000604096501 861774542 /nfs/dbraw/zinc/77/45/42/861774542.db2.gz RZXLHFULWRGUAA-UHFFFAOYSA-N 1 2 394.544 3.526 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H](CC(F)F)c3ccccc3)CC2)cc1 ZINC000422272327 847509670 /nfs/dbraw/zinc/50/96/70/847509670.db2.gz YYPAHTBPAGAKAB-HXUWFJFHSA-N 1 2 398.457 3.782 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@H+](C)CC(=O)NCc2cccs2)cc1OC ZINC000628175483 848613587 /nfs/dbraw/zinc/61/35/87/848613587.db2.gz YZYPYKZQSZVFAE-UHFFFAOYSA-N 1 2 394.924 3.723 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@@H+](C)CC(=O)NCc2cccs2)cc1OC ZINC000628175483 848613591 /nfs/dbraw/zinc/61/35/91/848613591.db2.gz YZYPYKZQSZVFAE-UHFFFAOYSA-N 1 2 394.924 3.723 20 30 GHEDLO COCC[N@H+](Cc1ccc(F)c(Cl)c1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000582967890 848783659 /nfs/dbraw/zinc/78/36/59/848783659.db2.gz JUOQAYFNHXFSBZ-UHFFFAOYSA-N 1 2 377.803 3.908 20 30 GHEDLO COCC[N@@H+](Cc1ccc(F)c(Cl)c1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000582967890 848783661 /nfs/dbraw/zinc/78/36/61/848783661.db2.gz JUOQAYFNHXFSBZ-UHFFFAOYSA-N 1 2 377.803 3.908 20 30 GHEDLO Cc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)nn1-c1cccc(C#N)c1 ZINC000504076001 849881859 /nfs/dbraw/zinc/88/18/59/849881859.db2.gz JFBGHACEWLROCP-UHFFFAOYSA-N 1 2 386.390 3.630 20 30 GHEDLO CSc1cc2c(cc1C[NH+]1CCN([C@H](C#N)c3ccccc3)CC1)OCCO2 ZINC000434979359 849965583 /nfs/dbraw/zinc/96/55/83/849965583.db2.gz SKBREMPTSCVVCG-LJQANCHMSA-N 1 2 395.528 3.562 20 30 GHEDLO Cc1ccc(-c2c[nH]cc2C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000426582263 850863972 /nfs/dbraw/zinc/86/39/72/850863972.db2.gz WGTFPWWDOISEJK-UHFFFAOYSA-N 1 2 390.512 3.881 20 30 GHEDLO COC(=O)c1cccc(C[NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)c1C#N ZINC000515443384 851021825 /nfs/dbraw/zinc/02/18/25/851021825.db2.gz OKNXKHLIPNLDDK-GOSISDBHSA-N 1 2 393.270 3.865 20 30 GHEDLO C[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C[C@@H]1OCCc2ccccc21 ZINC000514002701 851131804 /nfs/dbraw/zinc/13/18/04/851131804.db2.gz ZOIUPHVDDNGXSK-NRFANRHFSA-N 1 2 397.906 3.832 20 30 GHEDLO C[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C[C@@H]1OCCc2ccccc21 ZINC000514002701 851131807 /nfs/dbraw/zinc/13/18/07/851131807.db2.gz ZOIUPHVDDNGXSK-NRFANRHFSA-N 1 2 397.906 3.832 20 30 GHEDLO CC[N@H+](Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)[C@H](C)c1ccc(C#N)cc1 ZINC000505786307 851419700 /nfs/dbraw/zinc/41/97/00/851419700.db2.gz YVBNSUHMMNYMSN-MRXNPFEDSA-N 1 2 398.470 3.976 20 30 GHEDLO CC[N@@H+](Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)[C@H](C)c1ccc(C#N)cc1 ZINC000505786307 851419706 /nfs/dbraw/zinc/41/97/06/851419706.db2.gz YVBNSUHMMNYMSN-MRXNPFEDSA-N 1 2 398.470 3.976 20 30 GHEDLO N#Cc1cccc(OC2CC[NH+](CN3C[C@@H](c4cccc(F)c4)CC3=O)CC2)c1 ZINC000729466823 851972152 /nfs/dbraw/zinc/97/21/52/851972152.db2.gz ALRXWZLRZSSIFF-IBGZPJMESA-N 1 2 393.462 3.514 20 30 GHEDLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cc(C)c(N(C)C)cc2C#N)c1C ZINC000436499959 851974953 /nfs/dbraw/zinc/97/49/53/851974953.db2.gz UDNLWGADNQPGRE-UHFFFAOYSA-N 1 2 381.480 3.617 20 30 GHEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000664563836 851987378 /nfs/dbraw/zinc/98/73/78/851987378.db2.gz ZYSGRHRQEWSZMH-IYWMVGAKSA-N 1 2 389.927 3.604 20 30 GHEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000664563836 851987383 /nfs/dbraw/zinc/98/73/83/851987383.db2.gz ZYSGRHRQEWSZMH-IYWMVGAKSA-N 1 2 389.927 3.604 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](Cc1ccncc1)C1CC1 ZINC000180762433 862325020 /nfs/dbraw/zinc/32/50/20/862325020.db2.gz OKCXXQWWBKLPOW-INIZCTEOSA-N 1 2 380.517 3.936 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](Cc1ccncc1)C1CC1 ZINC000180762433 862325036 /nfs/dbraw/zinc/32/50/36/862325036.db2.gz OKCXXQWWBKLPOW-INIZCTEOSA-N 1 2 380.517 3.936 20 30 GHEDLO Cn1c2ccc(Cl)cc2[nH+]c1NCc1cccn1Cc1ccccc1C#N ZINC000438244908 852172570 /nfs/dbraw/zinc/17/25/70/852172570.db2.gz UGUFQRUOEOOKKD-UHFFFAOYSA-N 1 2 375.863 3.982 20 30 GHEDLO COc1ccc(C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCO)c(OC)c1 ZINC000426994514 852598001 /nfs/dbraw/zinc/59/80/01/852598001.db2.gz HOHWRALYLWXCTF-UHFFFAOYSA-N 1 2 393.405 3.569 20 30 GHEDLO COc1ccc(C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCO)c(OC)c1 ZINC000426994514 852598003 /nfs/dbraw/zinc/59/80/03/852598003.db2.gz HOHWRALYLWXCTF-UHFFFAOYSA-N 1 2 393.405 3.569 20 30 GHEDLO Cc1cccc(O[C@@H]2CCCC[C@@H]2NC([O-])=[NH+]C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000329902010 862408284 /nfs/dbraw/zinc/40/82/84/862408284.db2.gz PBLFQFGPBKDBSK-YSIASYRMSA-N 1 2 382.508 3.648 20 30 GHEDLO Cc1nc(SCC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c(C#N)c(C)c1C ZINC000490545668 853082610 /nfs/dbraw/zinc/08/26/10/853082610.db2.gz PDHITIUCXCPCGR-UHFFFAOYSA-N 1 2 395.463 3.934 20 30 GHEDLO Cc1sc(NC(=O)C[N@H+](C)CCOc2ccccc2Cl)c(C#N)c1C ZINC000426366724 853595930 /nfs/dbraw/zinc/59/59/30/853595930.db2.gz QVTWBTRSAXHQRU-UHFFFAOYSA-N 1 2 377.897 3.839 20 30 GHEDLO Cc1sc(NC(=O)C[N@@H+](C)CCOc2ccccc2Cl)c(C#N)c1C ZINC000426366724 853595937 /nfs/dbraw/zinc/59/59/37/853595937.db2.gz QVTWBTRSAXHQRU-UHFFFAOYSA-N 1 2 377.897 3.839 20 30 GHEDLO C[C@H](CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)Cn1cc[nH+]c1 ZINC000473887849 853618827 /nfs/dbraw/zinc/61/88/27/853618827.db2.gz QDFZMAPXDMUWOX-OAHLLOKOSA-N 1 2 378.407 3.752 20 30 GHEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000519922240 853623509 /nfs/dbraw/zinc/62/35/09/853623509.db2.gz YFPPHZBWDNAMMC-UHFFFAOYSA-N 1 2 391.519 3.921 20 30 GHEDLO C=CCC[C@@H](NC(=O)N[C@H](C)C[NH+]1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000440810037 853654503 /nfs/dbraw/zinc/65/45/03/853654503.db2.gz QALWAJWGTXBGOL-CRAIPNDOSA-N 1 2 399.457 3.733 20 30 GHEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C1CCC(NC(=O)C2CC2)CC1 ZINC000330001181 862494739 /nfs/dbraw/zinc/49/47/39/862494739.db2.gz ABPXRHFKTLNBQQ-UHFFFAOYSA-N 1 2 386.496 3.740 20 30 GHEDLO Cn1c[nH+]cc1CCC(=O)NC1(c2noc([C@H]3CCCO3)n2)CCCCCC1 ZINC000330030527 862518949 /nfs/dbraw/zinc/51/89/49/862518949.db2.gz RTSUYSNQQNGRLU-MRXNPFEDSA-N 1 2 387.484 3.793 20 30 GHEDLO CCO[C@H](C)c1nc(C[N@H+](C)CCC(=O)Nc2sccc2C#N)cs1 ZINC000441413109 854191904 /nfs/dbraw/zinc/19/19/04/854191904.db2.gz YABFCSCYLKVXKS-GFCCVEGCSA-N 1 2 378.523 3.634 20 30 GHEDLO CCO[C@H](C)c1nc(C[N@@H+](C)CCC(=O)Nc2sccc2C#N)cs1 ZINC000441413109 854191908 /nfs/dbraw/zinc/19/19/08/854191908.db2.gz YABFCSCYLKVXKS-GFCCVEGCSA-N 1 2 378.523 3.634 20 30 GHEDLO CO[C@]1(C)C[C@@H](NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1(C)C ZINC000328831763 854565606 /nfs/dbraw/zinc/56/56/06/854565606.db2.gz VFBXPWODWHSLMI-XMSQKQJNSA-N 1 2 380.492 3.941 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000328834189 854567353 /nfs/dbraw/zinc/56/73/53/854567353.db2.gz LUBCYCVAXLNIEZ-SKDZVZGDSA-N 1 2 395.906 3.828 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000328834189 854567363 /nfs/dbraw/zinc/56/73/63/854567363.db2.gz LUBCYCVAXLNIEZ-SKDZVZGDSA-N 1 2 395.906 3.828 20 30 GHEDLO C=CC[C@@H](C)NC(=O)c1cccnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000604880254 862594213 /nfs/dbraw/zinc/59/42/13/862594213.db2.gz KTUNBGJJYNLCEM-QGZVFWFLSA-N 1 2 398.938 3.752 20 30 GHEDLO O=C(N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000330162159 862625589 /nfs/dbraw/zinc/62/55/89/862625589.db2.gz UHVZLSBECCTYAT-UONOGXRCSA-N 1 2 378.398 3.700 20 30 GHEDLO CC(C)[C@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3cccc(CC#N)c3)c2C1 ZINC000589589244 855072383 /nfs/dbraw/zinc/07/23/83/855072383.db2.gz HAPZSUCMENATJA-INIZCTEOSA-N 1 2 383.517 3.914 20 30 GHEDLO CC(C)[C@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3cccc(CC#N)c3)c2C1 ZINC000589589244 855072392 /nfs/dbraw/zinc/07/23/92/855072392.db2.gz HAPZSUCMENATJA-INIZCTEOSA-N 1 2 383.517 3.914 20 30 GHEDLO CC(=O)Nc1cccc2c1CC[N@@H+]([C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)C2 ZINC000054391408 855148121 /nfs/dbraw/zinc/14/81/21/855148121.db2.gz BWYXNRHYIZFOHP-CYBMUJFWSA-N 1 2 396.878 3.555 20 30 GHEDLO CC(=O)Nc1cccc2c1CC[N@H+]([C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)C2 ZINC000054391408 855148131 /nfs/dbraw/zinc/14/81/31/855148131.db2.gz BWYXNRHYIZFOHP-CYBMUJFWSA-N 1 2 396.878 3.555 20 30 GHEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@H](C)Oc2ccc(C#N)cc2)c(C)c1 ZINC000441493392 855410474 /nfs/dbraw/zinc/41/04/74/855410474.db2.gz SVVBTKGDDBQMCE-PGRDOPGGSA-N 1 2 388.471 3.697 20 30 GHEDLO C[C@H](c1nnc(Sc2cccc(C#N)n2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000301807241 855761471 /nfs/dbraw/zinc/76/14/71/855761471.db2.gz ALUNOCJHIDFYPP-GFCCVEGCSA-N 1 2 384.896 3.961 20 30 GHEDLO C[N@@H+]1CCO[C@@H]([C@H](Nc2ccc(C#N)cc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000301899228 855777833 /nfs/dbraw/zinc/77/78/33/855777833.db2.gz SYWBISIJJSBPED-RTBURBONSA-N 1 2 386.839 3.604 20 30 GHEDLO C[N@H+]1CCO[C@@H]([C@H](Nc2ccc(C#N)cc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000301899228 855777836 /nfs/dbraw/zinc/77/78/36/855777836.db2.gz SYWBISIJJSBPED-RTBURBONSA-N 1 2 386.839 3.604 20 30 GHEDLO COc1ccc(NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cc1Cl ZINC000507788466 855805419 /nfs/dbraw/zinc/80/54/19/855805419.db2.gz NDZCCQAQFHHHOP-UHFFFAOYSA-N 1 2 399.878 3.702 20 30 GHEDLO CC(=O)c1ccc(C#N)cc1N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000302099650 855815668 /nfs/dbraw/zinc/81/56/68/855815668.db2.gz KWTNYJZDQMBIMN-UHFFFAOYSA-N 1 2 383.879 3.615 20 30 GHEDLO Cc1ccc(N2CC[NH+]([C@@H](C)c3ccc(Br)cc3)CC2)nc1C#N ZINC000302601465 855889676 /nfs/dbraw/zinc/88/96/76/855889676.db2.gz CDJXUWZHZPMFOJ-HNNXBMFYSA-N 1 2 385.309 3.907 20 30 GHEDLO C[N@H+](CCOc1ccc(F)cc1)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000302812638 855943191 /nfs/dbraw/zinc/94/31/91/855943191.db2.gz YHQILFZAEZOJME-UHFFFAOYSA-N 1 2 379.435 3.888 20 30 GHEDLO C[N@@H+](CCOc1ccc(F)cc1)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000302812638 855943199 /nfs/dbraw/zinc/94/31/99/855943199.db2.gz YHQILFZAEZOJME-UHFFFAOYSA-N 1 2 379.435 3.888 20 30 GHEDLO N#Cc1ccsc1NC(=O)C[NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000109102873 856230600 /nfs/dbraw/zinc/23/06/00/856230600.db2.gz QYKMTQFVZFUFEW-LJQANCHMSA-N 1 2 390.468 3.528 20 30 GHEDLO C=C1CCC(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)CC1 ZINC001128152338 856506286 /nfs/dbraw/zinc/50/62/86/856506286.db2.gz QCPZYILEALVOLG-UHFFFAOYSA-N 1 2 392.341 3.886 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](CC(=O)Nc3ccc4c(c3)CCC4)CC2)cc1 ZINC000507846699 856534876 /nfs/dbraw/zinc/53/48/76/856534876.db2.gz FCFZRCQLYCPGAG-UHFFFAOYSA-N 1 2 375.472 3.529 20 30 GHEDLO C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccc(OC(F)F)cc1 ZINC000007901932 857028325 /nfs/dbraw/zinc/02/83/25/857028325.db2.gz ULDQKNOOPHISNU-UHFFFAOYSA-N 1 2 379.794 3.884 20 30 GHEDLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccc(OC(F)F)cc1 ZINC000007901932 857028338 /nfs/dbraw/zinc/02/83/38/857028338.db2.gz ULDQKNOOPHISNU-UHFFFAOYSA-N 1 2 379.794 3.884 20 30 GHEDLO CC1=C(Br)C[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000281158459 862877700 /nfs/dbraw/zinc/87/77/00/862877700.db2.gz PPCFHVBBJOWUDL-UHFFFAOYSA-N 1 2 386.297 3.733 20 30 GHEDLO CC1=C(Br)C[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000281158459 862877705 /nfs/dbraw/zinc/87/77/05/862877705.db2.gz PPCFHVBBJOWUDL-UHFFFAOYSA-N 1 2 386.297 3.733 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)CCc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000508303533 857163875 /nfs/dbraw/zinc/16/38/75/857163875.db2.gz WECQLZFWMLIVIK-IBGZPJMESA-N 1 2 391.515 3.622 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)CCc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000508303533 857163881 /nfs/dbraw/zinc/16/38/81/857163881.db2.gz WECQLZFWMLIVIK-IBGZPJMESA-N 1 2 391.515 3.622 20 30 GHEDLO C[C@@H]1CN(Cc2ccc(C#N)cc2F)[C@@H](C)C[N@@H+]1Cc1ccc(C#N)cc1F ZINC000441903463 857346626 /nfs/dbraw/zinc/34/66/26/857346626.db2.gz JKZPDKHVNNJUTO-IYBDPMFKSA-N 1 2 380.442 3.803 20 30 GHEDLO C[C@@H]1CN(Cc2ccc(C#N)cc2F)[C@@H](C)C[N@H+]1Cc1ccc(C#N)cc1F ZINC000441903463 857346642 /nfs/dbraw/zinc/34/66/42/857346642.db2.gz JKZPDKHVNNJUTO-IYBDPMFKSA-N 1 2 380.442 3.803 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)[C@@H](C)CN1Cc1ccc(C#N)cc1F ZINC000441903463 857346655 /nfs/dbraw/zinc/34/66/55/857346655.db2.gz JKZPDKHVNNJUTO-IYBDPMFKSA-N 1 2 380.442 3.803 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)[C@@H](C)CN1Cc1ccc(C#N)cc1F ZINC000441903463 857346669 /nfs/dbraw/zinc/34/66/69/857346669.db2.gz JKZPDKHVNNJUTO-IYBDPMFKSA-N 1 2 380.442 3.803 20 30 GHEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)CC2)c1 ZINC000181508448 862906933 /nfs/dbraw/zinc/90/69/33/862906933.db2.gz CDPJTKRCOJIOGR-SFHVURJKSA-N 1 2 389.499 3.769 20 30 GHEDLO CC(C)CCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000246540473 857403916 /nfs/dbraw/zinc/40/39/16/857403916.db2.gz SQLHTAZTRAINNQ-HUUCEWRRSA-N 1 2 375.538 3.572 20 30 GHEDLO CC(C)CCO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000246540473 857403926 /nfs/dbraw/zinc/40/39/26/857403926.db2.gz SQLHTAZTRAINNQ-HUUCEWRRSA-N 1 2 375.538 3.572 20 30 GHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2cc(C#N)cc(N(C)C)c2)c(C)c1 ZINC000486623823 857921781 /nfs/dbraw/zinc/92/17/81/857921781.db2.gz FMKQOEMTTQKMEM-QFIPXVFZSA-N 1 2 387.487 3.609 20 30 GHEDLO C=CCn1c([C@H](C)CC)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000508824108 858655893 /nfs/dbraw/zinc/65/58/93/858655893.db2.gz HBQDDNGCNAFTHV-MRXNPFEDSA-N 1 2 383.544 3.526 20 30 GHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(CCC(=O)OC(C)(C)C)CC1 ZINC000595719406 858658211 /nfs/dbraw/zinc/65/82/11/858658211.db2.gz SWGSGSJHSDUNPZ-HXUWFJFHSA-N 1 2 386.492 3.606 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3Cc4cccc(C#N)c4C3)n2)C1 ZINC000593137241 858754050 /nfs/dbraw/zinc/75/40/50/858754050.db2.gz UJWUKGLBCRIZHH-CQSZACIVSA-N 1 2 381.505 3.794 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3Cc4cccc(C#N)c4C3)n2)C1 ZINC000593137241 858754055 /nfs/dbraw/zinc/75/40/55/858754055.db2.gz UJWUKGLBCRIZHH-CQSZACIVSA-N 1 2 381.505 3.794 20 30 GHEDLO Cc1cc(N2CCOC3(CCCC3)C2)c(C#N)c(N2CCOC3(CCCC3)C2)[nH+]1 ZINC000596169752 858810817 /nfs/dbraw/zinc/81/08/17/858810817.db2.gz UQLPJNRRBXNFLB-UHFFFAOYSA-N 1 2 396.535 3.561 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3(C(F)(F)F)CCCCC3)CC2)cc1 ZINC000596655986 858976639 /nfs/dbraw/zinc/97/66/39/858976639.db2.gz AYBMCIJVVBDOKQ-UHFFFAOYSA-N 1 2 379.426 3.715 20 30 GHEDLO Cc1ccccc1-n1nccc1C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000474111594 859081368 /nfs/dbraw/zinc/08/13/68/859081368.db2.gz VUWYKERDNDZACW-UHFFFAOYSA-N 1 2 385.515 3.760 20 30 GHEDLO Cc1ccccc1-n1nccc1C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000474111594 859081372 /nfs/dbraw/zinc/08/13/72/859081372.db2.gz VUWYKERDNDZACW-UHFFFAOYSA-N 1 2 385.515 3.760 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)c2ccccc2SCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000764063139 859166309 /nfs/dbraw/zinc/16/63/09/859166309.db2.gz DUZQSZLFEWNLGA-HKUYNNGSSA-N 1 2 387.455 3.756 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)c2ccccc2SCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000764063139 859166312 /nfs/dbraw/zinc/16/63/12/859166312.db2.gz DUZQSZLFEWNLGA-HKUYNNGSSA-N 1 2 387.455 3.756 20 30 GHEDLO Cn1cc(C[N@@H+]2CCC[C@@H]2c2ccc(I)cc2)cc1C#N ZINC000483242083 859236173 /nfs/dbraw/zinc/23/61/73/859236173.db2.gz AHVCSDWSKOLOES-QGZVFWFLSA-N 1 2 391.256 3.838 20 30 GHEDLO Cn1cc(C[N@H+]2CCC[C@@H]2c2ccc(I)cc2)cc1C#N ZINC000483242083 859236184 /nfs/dbraw/zinc/23/61/84/859236184.db2.gz AHVCSDWSKOLOES-QGZVFWFLSA-N 1 2 391.256 3.838 20 30 GHEDLO N#Cc1sccc1N1CC[NH+](Cc2ccccc2OCc2ccccn2)CC1 ZINC000597182525 859341590 /nfs/dbraw/zinc/34/15/90/859341590.db2.gz DBSTVDCVGAQYHU-UHFFFAOYSA-N 1 2 390.512 3.916 20 30 GHEDLO CCOC(=O)[C@@H](Cc1ccccn1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170365322 881431947 /nfs/dbraw/zinc/43/19/47/881431947.db2.gz VXJDCJQTXYNDRU-YUVVGHDESA-N 1 2 377.488 3.550 20 30 GHEDLO C=CCn1c(=S)n(C[N@H+](CCc2ccccc2)C2CC2)nc1-c1cnccn1 ZINC000764935346 859690412 /nfs/dbraw/zinc/69/04/12/859690412.db2.gz WOTCUSXCNDLDJB-UHFFFAOYSA-N 1 2 392.532 3.722 20 30 GHEDLO C=CCn1c(=S)n(C[N@@H+](CCc2ccccc2)C2CC2)nc1-c1cnccn1 ZINC000764935346 859690415 /nfs/dbraw/zinc/69/04/15/859690415.db2.gz WOTCUSXCNDLDJB-UHFFFAOYSA-N 1 2 392.532 3.722 20 30 GHEDLO N#CC[C@@H](CC(=O)N(CCn1cc[nH+]c1)C1CCSCC1)c1ccccc1 ZINC000597641298 859703777 /nfs/dbraw/zinc/70/37/77/859703777.db2.gz QPARVSPPNLHDJH-IBGZPJMESA-N 1 2 382.533 3.695 20 30 GHEDLO CC(C)C[C@H](C(=O)N[C@H](C#N)c1ccc(Br)cc1)n1cc[nH+]c1 ZINC000602051818 859728344 /nfs/dbraw/zinc/72/83/44/859728344.db2.gz FQSOETGCVMCUGU-HZPDHXFCSA-N 1 2 375.270 3.614 20 30 GHEDLO C[C@H](CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C(=O)c1ccccc1 ZINC000602074513 859755567 /nfs/dbraw/zinc/75/55/67/859755567.db2.gz VTBLJQJSJKLDIH-LJQANCHMSA-N 1 2 389.499 3.502 20 30 GHEDLO C[C@H](CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)C(=O)c1ccccc1 ZINC000602074513 859755576 /nfs/dbraw/zinc/75/55/76/859755576.db2.gz VTBLJQJSJKLDIH-LJQANCHMSA-N 1 2 389.499 3.502 20 30 GHEDLO N#Cc1ccccc1NC1CCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000602184414 859844776 /nfs/dbraw/zinc/84/47/76/859844776.db2.gz YFVJXHSGNVTNAN-NRFANRHFSA-N 1 2 399.498 3.906 20 30 GHEDLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000761239178 859851947 /nfs/dbraw/zinc/85/19/47/859851947.db2.gz BKUVEKYKYLJSMV-NRFANRHFSA-N 1 2 387.439 3.861 20 30 GHEDLO CCn1c(Br)c(Br)nc1C[NH2+]Cc1ccc(C#N)cc1 ZINC000921541680 860253614 /nfs/dbraw/zinc/25/36/14/860253614.db2.gz DGWAEBKNRVGNOP-UHFFFAOYSA-N 1 2 398.102 3.589 20 30 GHEDLO C[C@H](C(=O)Nc1ccc(F)cc1Cl)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602910467 860344589 /nfs/dbraw/zinc/34/45/89/860344589.db2.gz SFHPBQXAVBHEPO-CYBMUJFWSA-N 1 2 386.858 3.952 20 30 GHEDLO CSCCc1ccccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000603104130 860488740 /nfs/dbraw/zinc/48/87/40/860488740.db2.gz YYRNRPWCNYPJRT-UHFFFAOYSA-N 1 2 394.544 3.813 20 30 GHEDLO N#Cc1c2ccccc2[nH]c1-c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000904497962 860491556 /nfs/dbraw/zinc/49/15/56/860491556.db2.gz LSGSZLLKTAURKQ-UHFFFAOYSA-N 1 2 385.427 3.589 20 30 GHEDLO COc1cc(Br)c(C[N@H+](C)Cc2cccc(C#N)c2)cc1OC ZINC000125219881 860615221 /nfs/dbraw/zinc/61/52/21/860615221.db2.gz PIVBSNNQJXRKEX-UHFFFAOYSA-N 1 2 375.266 3.970 20 30 GHEDLO COc1cc(Br)c(C[N@@H+](C)Cc2cccc(C#N)c2)cc1OC ZINC000125219881 860615225 /nfs/dbraw/zinc/61/52/25/860615225.db2.gz PIVBSNNQJXRKEX-UHFFFAOYSA-N 1 2 375.266 3.970 20 30 GHEDLO C[C@@H](NC(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1)c1cccc(C#N)c1 ZINC000598998208 860717576 /nfs/dbraw/zinc/71/75/76/860717576.db2.gz HQEIPRIRNPQDIQ-QGZVFWFLSA-N 1 2 387.487 3.628 20 30 GHEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000593976442 863601356 /nfs/dbraw/zinc/60/13/56/863601356.db2.gz WJRDJBGOZXMUSJ-GOSISDBHSA-N 1 2 376.504 3.829 20 30 GHEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc(C)cc2)cc1OCCCC#N ZINC000159163111 864051762 /nfs/dbraw/zinc/05/17/62/864051762.db2.gz NDPNKGDYJBWLHF-UHFFFAOYSA-N 1 2 381.476 3.757 20 30 GHEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(C)cc2)cc1OCCCC#N ZINC000159163111 864051776 /nfs/dbraw/zinc/05/17/76/864051776.db2.gz NDPNKGDYJBWLHF-UHFFFAOYSA-N 1 2 381.476 3.757 20 30 GHEDLO CC[N@H+](Cc1ccc(C(O)=C(C#N)c2nc3[nH]ccc(C)c-3n2)cc1)C(C)C ZINC000554322699 864156853 /nfs/dbraw/zinc/15/68/53/864156853.db2.gz JYWGWFOHBDXVBD-SFHVURJKSA-N 1 2 375.476 3.987 20 30 GHEDLO CC[N@@H+](Cc1ccc(C(O)=C(C#N)c2nc3[nH]ccc(C)c-3n2)cc1)C(C)C ZINC000554322699 864156858 /nfs/dbraw/zinc/15/68/58/864156858.db2.gz JYWGWFOHBDXVBD-SFHVURJKSA-N 1 2 375.476 3.987 20 30 GHEDLO Cc1cc(C(N)=[NH+]OCC(=O)Nc2ccc(SC(F)F)cc2)ccc1F ZINC000063458102 864804682 /nfs/dbraw/zinc/80/46/82/864804682.db2.gz MYIIETZWVZGUSP-UHFFFAOYSA-N 1 2 383.395 3.724 20 30 GHEDLO COCC[N@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1ccc(C#N)cc1 ZINC000063754539 865302495 /nfs/dbraw/zinc/30/24/95/865302495.db2.gz KWEWZCNEPMCVRN-UHFFFAOYSA-N 1 2 391.393 3.664 20 30 GHEDLO COCC[N@@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)Cc1ccc(C#N)cc1 ZINC000063754539 865302513 /nfs/dbraw/zinc/30/25/13/865302513.db2.gz KWEWZCNEPMCVRN-UHFFFAOYSA-N 1 2 391.393 3.664 20 30 GHEDLO CC(=O)N1CC[N@H+](Cc2ccc(C#N)cc2Br)CC12CCCCC2 ZINC000481124819 865857244 /nfs/dbraw/zinc/85/72/44/865857244.db2.gz ZYORABYUUKHCIZ-UHFFFAOYSA-N 1 2 390.325 3.688 20 30 GHEDLO CC(=O)N1CC[N@@H+](Cc2ccc(C#N)cc2Br)CC12CCCCC2 ZINC000481124819 865857257 /nfs/dbraw/zinc/85/72/57/865857257.db2.gz ZYORABYUUKHCIZ-UHFFFAOYSA-N 1 2 390.325 3.688 20 30 GHEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000594334135 865873300 /nfs/dbraw/zinc/87/33/00/865873300.db2.gz ZZYBXBJSWFWKEZ-OREJSRFESA-N 1 2 383.442 3.577 20 30 GHEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000594334135 865873316 /nfs/dbraw/zinc/87/33/16/865873316.db2.gz ZZYBXBJSWFWKEZ-OREJSRFESA-N 1 2 383.442 3.577 20 30 GHEDLO CCc1ccccc1O[C@H](C)C(=O)N1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000609915914 866141352 /nfs/dbraw/zinc/14/13/52/866141352.db2.gz WPOCGFAQWJEARZ-RBUKOAKNSA-N 1 2 391.515 3.793 20 30 GHEDLO Cc1cccn2c(/C=C\C(=O)c3ccc(S(=O)(=O)C(F)F)cc3)c[nH+]c12 ZINC000741468665 866532555 /nfs/dbraw/zinc/53/25/55/866532555.db2.gz XBKLFTIZIQLUPN-TWGQIWQCSA-N 1 2 376.384 3.535 20 30 GHEDLO COC(=O)c1cccc(C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)c1C#N ZINC000534486585 866871123 /nfs/dbraw/zinc/87/11/23/866871123.db2.gz DOFQEZQZHUZPHJ-UHFFFAOYSA-N 1 2 386.398 3.666 20 30 GHEDLO CC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC(=O)NCc1ccc(F)cc1 ZINC000478980204 866985848 /nfs/dbraw/zinc/98/58/48/866985848.db2.gz KGKBXZJTERSELV-UHFFFAOYSA-N 1 2 392.396 3.834 20 30 GHEDLO CC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC(=O)NCc1ccc(F)cc1 ZINC000478980204 866985855 /nfs/dbraw/zinc/98/58/55/866985855.db2.gz KGKBXZJTERSELV-UHFFFAOYSA-N 1 2 392.396 3.834 20 30 GHEDLO Cc1oc(-c2cccs2)nc1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000141603497 867298232 /nfs/dbraw/zinc/29/82/32/867298232.db2.gz ICYKUQSFURBUDD-UHFFFAOYSA-N 1 2 378.501 3.901 20 30 GHEDLO C#CCOc1cccc(NC(=O)N(CC)CC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000743147597 867898873 /nfs/dbraw/zinc/89/88/73/867898873.db2.gz PSIASUBRQGKGTC-UHFFFAOYSA-N 1 2 392.503 3.864 20 30 GHEDLO O=C(NCC#Cc1cccc(C(F)(F)F)c1)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000523789915 867982968 /nfs/dbraw/zinc/98/29/68/867982968.db2.gz LRRXPXNPCGCPEX-UHFFFAOYSA-N 1 2 398.388 3.742 20 30 GHEDLO CCOc1ccc(/C=[NH+]/CCCc2nnc(SC)n2CC(C)C)c(O)c1 ZINC000743341242 868073497 /nfs/dbraw/zinc/07/34/97/868073497.db2.gz VUQLYWGNPUGUSI-UDWIEESQSA-N 1 2 376.526 3.812 20 30 GHEDLO COc1ccccc1[C@H]1CCCC[N@@H+]1Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793498859 882248995 /nfs/dbraw/zinc/24/89/95/882248995.db2.gz NZZVGEWRBKUIGT-OAQYLSRUSA-N 1 2 377.488 3.792 20 30 GHEDLO COc1ccccc1[C@H]1CCCC[N@H+]1Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793498859 882249017 /nfs/dbraw/zinc/24/90/17/882249017.db2.gz NZZVGEWRBKUIGT-OAQYLSRUSA-N 1 2 377.488 3.792 20 30 GHEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)C[C@@H](CC#N)c3ccccc3)CC2)cc1 ZINC000793563286 882270354 /nfs/dbraw/zinc/27/03/54/882270354.db2.gz VMJMFFMLPLZFEQ-HXUWFJFHSA-N 1 2 390.531 3.925 20 30 GHEDLO CCN(CCC#N)C(=O)C[NH2+][C@H](c1cccc(OC)c1)c1ccccc1Cl ZINC000121903908 882341461 /nfs/dbraw/zinc/34/14/61/882341461.db2.gz NNCKQMKVIIKAIR-OAQYLSRUSA-N 1 2 385.895 3.790 20 30 GHEDLO C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000745913103 869881239 /nfs/dbraw/zinc/88/12/39/869881239.db2.gz UUVFYUCKJBUSQL-OAQYLSRUSA-N 1 2 390.462 3.688 20 30 GHEDLO COc1ccc2c(c1)C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H](c1ccccc1)C2 ZINC000121964716 882356104 /nfs/dbraw/zinc/35/61/04/882356104.db2.gz PLDQJBAMICSVLL-VWNXMTODSA-N 1 2 389.499 3.603 20 30 GHEDLO COc1ccc2c(c1)C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H](c1ccccc1)C2 ZINC000121964716 882356120 /nfs/dbraw/zinc/35/61/20/882356120.db2.gz PLDQJBAMICSVLL-VWNXMTODSA-N 1 2 389.499 3.603 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)c1C ZINC000538906719 870899137 /nfs/dbraw/zinc/89/91/37/870899137.db2.gz WLMCPQPCYYLOSI-OAQYLSRUSA-N 1 2 397.563 3.588 20 30 GHEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cc(Cl)ccc3OC(F)F)C2)nc1 ZINC000428806545 871150741 /nfs/dbraw/zinc/15/07/41/871150741.db2.gz PTQSUSWYPVARDE-HNNXBMFYSA-N 1 2 379.794 3.861 20 30 GHEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cc(Cl)ccc3OC(F)F)C2)nc1 ZINC000428806545 871150752 /nfs/dbraw/zinc/15/07/52/871150752.db2.gz PTQSUSWYPVARDE-HNNXBMFYSA-N 1 2 379.794 3.861 20 30 GHEDLO N#Cc1cccc([C@@H](O)C[N@@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC001169216359 871310738 /nfs/dbraw/zinc/31/07/38/871310738.db2.gz HVUQKJUERNOGSI-OALUTQOASA-N 1 2 376.378 3.684 20 30 GHEDLO N#Cc1cccc([C@@H](O)C[N@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC001169216359 871310758 /nfs/dbraw/zinc/31/07/58/871310758.db2.gz HVUQKJUERNOGSI-OALUTQOASA-N 1 2 376.378 3.684 20 30 GHEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3cc(Br)cs3)C2)CC1 ZINC001204024230 871407514 /nfs/dbraw/zinc/40/75/14/871407514.db2.gz WFGOKYLPSPFXFR-UHFFFAOYSA-N 1 2 385.327 3.731 20 30 GHEDLO C=CCc1cc(C[NH2+][C@H](C)c2ncc(Br)cn2)cc(OC)c1O ZINC000552083621 872019691 /nfs/dbraw/zinc/01/96/91/872019691.db2.gz QARGGCBUOZKNON-LLVKDONJSA-N 1 2 378.270 3.533 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000618826230 872030438 /nfs/dbraw/zinc/03/04/38/872030438.db2.gz YBYSNEDWAWLIGS-HKBOAZHASA-N 1 2 396.441 3.568 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000618826230 872030446 /nfs/dbraw/zinc/03/04/46/872030446.db2.gz YBYSNEDWAWLIGS-HKBOAZHASA-N 1 2 396.441 3.568 20 30 GHEDLO C=C(C)COc1cc(C[NH+]2CCN([C@@H](C)c3cccnc3)CC2)ccc1OC ZINC000093413641 872165174 /nfs/dbraw/zinc/16/51/74/872165174.db2.gz XOLZGUPOPREFOP-IBGZPJMESA-N 1 2 381.520 3.924 20 30 GHEDLO N#CCn1c(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc2ccccc21 ZINC000619144158 872348739 /nfs/dbraw/zinc/34/87/39/872348739.db2.gz PLKVWPDYZPOHRA-UHFFFAOYSA-N 1 2 387.487 3.717 20 30 GHEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1 ZINC000552433084 872637830 /nfs/dbraw/zinc/63/78/30/872637830.db2.gz QXLTYCWHQVXAFJ-HNNXBMFYSA-N 1 2 383.492 3.696 20 30 GHEDLO C=CC[N@@H+](CC(=O)Nc1cc(C)nn1-c1ccc(F)cc1)Cc1ccccc1 ZINC000552500384 872733835 /nfs/dbraw/zinc/73/38/35/872733835.db2.gz KKVHZDUVVPVCEK-UHFFFAOYSA-N 1 2 378.451 3.947 20 30 GHEDLO C=CC[N@H+](CC(=O)Nc1cc(C)nn1-c1ccc(F)cc1)Cc1ccccc1 ZINC000552500384 872733844 /nfs/dbraw/zinc/73/38/44/872733844.db2.gz KKVHZDUVVPVCEK-UHFFFAOYSA-N 1 2 378.451 3.947 20 30 GHEDLO C=CCn1c(-c2ccccc2C)nn(CN(C)CCCn2cc[nH+]c2)c1=S ZINC000767760492 872815520 /nfs/dbraw/zinc/81/55/20/872815520.db2.gz YFYKCFFYIIOEJK-UHFFFAOYSA-N 1 2 382.537 3.752 20 30 GHEDLO N#Cc1ccc(CNC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)cc1Cl ZINC000619769300 873006791 /nfs/dbraw/zinc/00/67/91/873006791.db2.gz KZQIDACWXVRHSW-DAXSKMNVSA-N 1 2 394.906 3.752 20 30 GHEDLO Cc1cccc(S(=O)(=O)CCC[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000464117991 873229924 /nfs/dbraw/zinc/22/99/24/873229924.db2.gz YICCUQCISXXUIU-UHFFFAOYSA-N 1 2 398.528 3.574 20 30 GHEDLO NC(=O)[C@@H](F)C1CC[NH+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC001196962952 873501261 /nfs/dbraw/zinc/50/12/61/873501261.db2.gz VYFNHXPTNDCNAQ-ZDUSSCGKSA-N 1 2 386.311 3.760 20 30 GHEDLO CC(C)(C)OC(=O)NCc1ccc(C(N)=[NH+]OCc2ccc(F)c(F)c2)cc1 ZINC000769843016 874320387 /nfs/dbraw/zinc/32/03/87/874320387.db2.gz TVARKYLCLGNBEY-UHFFFAOYSA-N 1 2 391.418 3.827 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](C[C@H](O)c3cccc(Cl)c3)CC2)c(Cl)c1 ZINC000769920556 874342618 /nfs/dbraw/zinc/34/26/18/874342618.db2.gz JUVATBKZMYAPFU-IBGZPJMESA-N 1 2 376.287 3.721 20 30 GHEDLO COc1cc(C#N)ccc1C[NH2+][C@@H](CCO)c1ccccc1Br ZINC000541951756 874619610 /nfs/dbraw/zinc/61/96/10/874619610.db2.gz JVMBUMWBCWYQCC-KRWDZBQOSA-N 1 2 375.266 3.543 20 30 GHEDLO C#CC[C@H](Cc1ccccc1)NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000804457609 882872230 /nfs/dbraw/zinc/87/22/30/882872230.db2.gz AZXARGJFRWSNSQ-YADHBBJMSA-N 1 2 378.541 3.527 20 30 GHEDLO C=CCSc1ncccc1C(=O)N1CC[NH+](C[C@H](OC)c2ccccc2)CC1 ZINC001199736301 875180255 /nfs/dbraw/zinc/18/02/55/875180255.db2.gz JMVLLZSKBZOXPI-FQEVSTJZSA-N 1 2 397.544 3.505 20 30 GHEDLO C=C(Br)C[NH2+]Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000105453515 875298861 /nfs/dbraw/zinc/29/88/61/875298861.db2.gz YPFMXHPGDZBUIY-UHFFFAOYSA-N 1 2 399.163 3.543 20 30 GHEDLO NC(=[NH+]OCCCO)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000776300478 876231685 /nfs/dbraw/zinc/23/16/85/876231685.db2.gz ZPFJKIXGKQUEIM-UHFFFAOYSA-N 1 2 389.761 3.565 20 30 GHEDLO Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000785979193 876381720 /nfs/dbraw/zinc/38/17/20/876381720.db2.gz MVHFMTQMVPZQCM-GDBMZVCRSA-N 1 2 383.414 3.863 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCCCCc3ccc(O)cc3)CC2)cc1 ZINC000609159133 876919465 /nfs/dbraw/zinc/91/94/65/876919465.db2.gz XDTWXENNYYIFQO-UHFFFAOYSA-N 1 2 391.515 3.711 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@H+]2CCCC[C@H]2[C@@H](O)C(F)(F)F)c1 ZINC000492584450 877129022 /nfs/dbraw/zinc/12/90/22/877129022.db2.gz VIBBXEOAZCPSBM-UONOGXRCSA-N 1 2 377.204 3.598 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCCC[C@H]2[C@@H](O)C(F)(F)F)c1 ZINC000492584450 877129027 /nfs/dbraw/zinc/12/90/27/877129027.db2.gz VIBBXEOAZCPSBM-UONOGXRCSA-N 1 2 377.204 3.598 20 30 GHEDLO CCOc1cc(C[N@H+](C)CC(=O)Nc2ccc(C#N)cc2)ccc1OC(F)F ZINC000026454260 877129265 /nfs/dbraw/zinc/12/92/65/877129265.db2.gz TVIWOCNOVXMSQC-UHFFFAOYSA-N 1 2 389.402 3.629 20 30 GHEDLO CCOc1cc(C[N@@H+](C)CC(=O)Nc2ccc(C#N)cc2)ccc1OC(F)F ZINC000026454260 877129271 /nfs/dbraw/zinc/12/92/71/877129271.db2.gz TVIWOCNOVXMSQC-UHFFFAOYSA-N 1 2 389.402 3.629 20 30 GHEDLO CC[C@@H]1C[N@H+](Cc2cc(C#N)ccc2Br)[C@H](CC)CN1C(C)=O ZINC000492655596 877260046 /nfs/dbraw/zinc/26/00/46/877260046.db2.gz PBDPBSJIFKMEJA-IAGOWNOFSA-N 1 2 378.314 3.542 20 30 GHEDLO CC[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)[C@H](CC)CN1C(C)=O ZINC000492655596 877260057 /nfs/dbraw/zinc/26/00/57/877260057.db2.gz PBDPBSJIFKMEJA-IAGOWNOFSA-N 1 2 378.314 3.542 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)c1 ZINC000451290545 877729225 /nfs/dbraw/zinc/72/92/25/877729225.db2.gz ZIKBNTCJVQMSHZ-IEBWSBKVSA-N 1 2 389.268 3.621 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)c1 ZINC000451290545 877729231 /nfs/dbraw/zinc/72/92/31/877729231.db2.gz ZIKBNTCJVQMSHZ-IEBWSBKVSA-N 1 2 389.268 3.621 20 30 GHEDLO N#CCc1cc[nH+]c(NCc2c(F)ccc(I)c2F)c1 ZINC000530421915 877757796 /nfs/dbraw/zinc/75/77/96/877757796.db2.gz FDXLEGDSALQOHT-UHFFFAOYSA-N 1 2 385.155 3.643 20 30 GHEDLO COC(=O)c1sc2ncc(C(=O)/C=C/c3c[nH+]c4ccccn34)cc2c1C ZINC000179738247 877953844 /nfs/dbraw/zinc/95/38/44/877953844.db2.gz JIZAKFCIUNZLGL-VOTSOKGWSA-N 1 2 377.425 3.935 20 30 GHEDLO N#CCOc1ccc(CC(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)cc1 ZINC000788251550 877957118 /nfs/dbraw/zinc/95/71/18/877957118.db2.gz YIPCTRDPZSSSPA-SFHVURJKSA-N 1 2 392.503 3.576 20 30 GHEDLO N#CCOc1ccc(CC(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)cc1 ZINC000788251550 877957122 /nfs/dbraw/zinc/95/71/22/877957122.db2.gz YIPCTRDPZSSSPA-SFHVURJKSA-N 1 2 392.503 3.576 20 30 GHEDLO Cc1cn2cc(NC(=O)C3CCN(c4ccc(C#N)cc4F)CC3)ccc2[nH+]1 ZINC000551975456 878081188 /nfs/dbraw/zinc/08/11/88/878081188.db2.gz SCCRRMQKFBGECM-UHFFFAOYSA-N 1 2 377.423 3.509 20 30 GHEDLO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)NCCCCNc1cccc[nH+]1 ZINC000176165593 878117902 /nfs/dbraw/zinc/11/79/02/878117902.db2.gz UORCSOKEMSMMCT-UHFFFAOYSA-N 1 2 390.409 3.643 20 30 GHEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000451551781 878132423 /nfs/dbraw/zinc/13/24/23/878132423.db2.gz VHCAJBYLDOPCSB-SJLPKXTDSA-N 1 2 396.472 3.513 20 30 GHEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000451551781 878132428 /nfs/dbraw/zinc/13/24/28/878132428.db2.gz VHCAJBYLDOPCSB-SJLPKXTDSA-N 1 2 396.472 3.513 20 30 GHEDLO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852324814 878239992 /nfs/dbraw/zinc/23/99/92/878239992.db2.gz CALUWCUQTLDFLX-OAQYLSRUSA-N 1 2 398.894 3.630 20 30 GHEDLO COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852324814 878240012 /nfs/dbraw/zinc/24/00/12/878240012.db2.gz CALUWCUQTLDFLX-OAQYLSRUSA-N 1 2 398.894 3.630 20 30 GHEDLO CN(C)C(=O)Sc1ccc(C[NH+]2CCN(c3ccsc3C#N)CC2)cc1 ZINC000852343820 878266540 /nfs/dbraw/zinc/26/65/40/878266540.db2.gz HPRZKJZMQNWZJV-UHFFFAOYSA-N 1 2 386.546 3.716 20 30 GHEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(CCC(=O)OC(C)(C)C)CC1 ZINC000852487493 878370376 /nfs/dbraw/zinc/37/03/76/878370376.db2.gz RTCBUXMJKCIDJZ-HXUWFJFHSA-N 1 2 386.492 3.606 20 30 GHEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(Cl)cc(Br)c1O ZINC001275115361 912340192 /nfs/dbraw/zinc/34/01/92/912340192.db2.gz WLWWGQMGNBNADC-HUUCEWRRSA-N 1 2 399.716 3.559 20 30 GHEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Cl)cc(Br)c1O ZINC001275115361 912340208 /nfs/dbraw/zinc/34/02/08/912340208.db2.gz WLWWGQMGNBNADC-HUUCEWRRSA-N 1 2 399.716 3.559 20 30 GHEDLO C[C@@H]([NH2+][C@H](C)c1c(F)cncc1F)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000285612532 912362904 /nfs/dbraw/zinc/36/29/04/912362904.db2.gz JVPCFCFGNCRITL-PHDIDXHHSA-N 1 2 395.278 3.733 20 30 GHEDLO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000530983336 878875598 /nfs/dbraw/zinc/87/55/98/878875598.db2.gz MHOKAZGOXKWRPE-UHFFFAOYSA-N 1 2 383.373 3.732 20 30 GHEDLO N#CCCn1cc(C(=O)C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)c2ccccc21 ZINC000285752835 912421172 /nfs/dbraw/zinc/42/11/72/912421172.db2.gz YWUPJAFMCIBAMP-LJQANCHMSA-N 1 2 393.409 3.517 20 30 GHEDLO N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c2ccccc21 ZINC000285752835 912421179 /nfs/dbraw/zinc/42/11/79/912421179.db2.gz YWUPJAFMCIBAMP-LJQANCHMSA-N 1 2 393.409 3.517 20 30 GHEDLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)cc1F ZINC000178517356 879136056 /nfs/dbraw/zinc/13/60/56/879136056.db2.gz QNKLAXGZLYVJMG-UHFFFAOYSA-N 1 2 379.479 3.893 20 30 GHEDLO CO[C@@]1(C(F)(F)F)CCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000617225278 879544781 /nfs/dbraw/zinc/54/47/81/879544781.db2.gz WVEDPMKKCZVWSX-AWEZNQCLSA-N 1 2 377.204 3.864 20 30 GHEDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000617225278 879544788 /nfs/dbraw/zinc/54/47/88/879544788.db2.gz WVEDPMKKCZVWSX-AWEZNQCLSA-N 1 2 377.204 3.864 20 30 GHEDLO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2sccc2C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000494139543 879943785 /nfs/dbraw/zinc/94/37/85/879943785.db2.gz DRYIJTCSRJTWNR-IAGOWNOFSA-N 1 2 375.444 3.852 20 30 GHEDLO CC(C)[N@H+]1CC[C@@H](NC(=O)c2sccc2C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000494139543 879943806 /nfs/dbraw/zinc/94/38/06/879943806.db2.gz DRYIJTCSRJTWNR-IAGOWNOFSA-N 1 2 375.444 3.852 20 30 GHEDLO C[C@@H](c1cccc(NC(=O)c2cc3ccccc3n2CC#N)c1)[NH+]1CCOCC1 ZINC000609182969 880271223 /nfs/dbraw/zinc/27/12/23/880271223.db2.gz IKFFYBRURKBTAM-KRWDZBQOSA-N 1 2 388.471 3.810 20 30 GHEDLO C=C(C)C[C@H](C)C(=O)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000185193751 880502958 /nfs/dbraw/zinc/50/29/58/880502958.db2.gz WAUKRXPOTQZZNI-SFHVURJKSA-N 1 2 396.510 3.766 20 30 GHEDLO C=CCNc1ncc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)s1 ZINC000136110113 883688131 /nfs/dbraw/zinc/68/81/31/883688131.db2.gz LQFPHYAJVHFMTI-UHFFFAOYSA-N 1 2 377.539 3.682 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000533928037 883802305 /nfs/dbraw/zinc/80/23/05/883802305.db2.gz LIWNTGSZWBBTAY-QGZVFWFLSA-N 1 2 390.270 3.957 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000533928037 883802321 /nfs/dbraw/zinc/80/23/21/883802321.db2.gz LIWNTGSZWBBTAY-QGZVFWFLSA-N 1 2 390.270 3.957 20 30 GHEDLO CC1(C(=O)OCc2cc[nH+]c(N)c2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000805596084 883929534 /nfs/dbraw/zinc/92/95/34/883929534.db2.gz GXYKBDAWSKSTDC-UHFFFAOYSA-N 1 2 384.867 3.539 20 30 GHEDLO C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000805785866 884070371 /nfs/dbraw/zinc/07/03/71/884070371.db2.gz KDYDTSPKPBCBBU-WIYYLYMNSA-N 1 2 381.545 3.771 20 30 GHEDLO C[C@@H](C[N@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12)NC(=O)OC(C)(C)C ZINC000860098171 884325226 /nfs/dbraw/zinc/32/52/26/884325226.db2.gz MAZHQQOIZLXOFR-INIZCTEOSA-N 1 2 398.507 3.583 20 30 GHEDLO C[C@@H](C[N@@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12)NC(=O)OC(C)(C)C ZINC000860098171 884325243 /nfs/dbraw/zinc/32/52/43/884325243.db2.gz MAZHQQOIZLXOFR-INIZCTEOSA-N 1 2 398.507 3.583 20 30 GHEDLO N#CCc1cccc2c1CC[N@@H+](CC(=O)[C@H](C#N)c1nc3ccccc3s1)C2 ZINC000860108007 884335210 /nfs/dbraw/zinc/33/52/10/884335210.db2.gz ORPVGVHEUPEYMA-SFHVURJKSA-N 1 2 386.480 3.597 20 30 GHEDLO N#CCc1cccc2c1CC[N@H+](CC(=O)[C@H](C#N)c1nc3ccccc3s1)C2 ZINC000860108007 884335228 /nfs/dbraw/zinc/33/52/28/884335228.db2.gz ORPVGVHEUPEYMA-SFHVURJKSA-N 1 2 386.480 3.597 20 30 GHEDLO N#Cc1ccc(-c2cccc(CNC(=O)NCc3ccn4cc[nH+]c4c3)c2)s1 ZINC000762056242 885278517 /nfs/dbraw/zinc/27/85/17/885278517.db2.gz LBAYMFSWAWGJTO-UHFFFAOYSA-N 1 2 387.468 3.934 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C[C@H](c2ccccc2)O1 ZINC000138488408 885386185 /nfs/dbraw/zinc/38/61/85/885386185.db2.gz YZEQWMFGGHPZIR-ZWDAVXSWSA-N 1 2 398.466 3.686 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C[C@H](c2ccccc2)O1 ZINC000138488408 885386207 /nfs/dbraw/zinc/38/62/07/885386207.db2.gz YZEQWMFGGHPZIR-ZWDAVXSWSA-N 1 2 398.466 3.686 20 30 GHEDLO FC(F)C(F)(F)CN1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000303627335 885653138 /nfs/dbraw/zinc/65/31/38/885653138.db2.gz XZFVWHAWLIKUEV-UHFFFAOYSA-N 1 2 388.327 3.646 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)cc1Cl ZINC000532517993 885916415 /nfs/dbraw/zinc/91/64/15/885916415.db2.gz IHIVNYDPYAWULP-SFHVURJKSA-N 1 2 397.862 3.758 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)cc1Cl ZINC000532517993 885916434 /nfs/dbraw/zinc/91/64/34/885916434.db2.gz IHIVNYDPYAWULP-SFHVURJKSA-N 1 2 397.862 3.758 20 30 GHEDLO N#Cc1ccccc1OC1CCC([NH2+][C@@H](c2cccs2)c2nnc[nH]2)CC1 ZINC000550700713 885927203 /nfs/dbraw/zinc/92/72/03/885927203.db2.gz LTNRZYHRUIUUBO-RJYAGPCLSA-N 1 2 379.489 3.807 20 30 GHEDLO N#Cc1nnc2ccccc2c1N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000498908874 886080936 /nfs/dbraw/zinc/08/09/36/886080936.db2.gz UWFIGTGPLXATHW-UHFFFAOYSA-N 1 2 380.455 3.503 20 30 GHEDLO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2cn(-c3ccccc3C)nn2)ccc1OC ZINC000808390038 886319940 /nfs/dbraw/zinc/31/99/40/886319940.db2.gz NQNOYYKAZAUASG-IBGZPJMESA-N 1 2 391.475 3.555 20 30 GHEDLO Cn1c(CC#N)nn(C[N@H+](Cc2ccc3c(c2)OCO3)C2CCCCC2)c1=S ZINC000794626232 887693348 /nfs/dbraw/zinc/69/33/48/887693348.db2.gz OXHRHRYGOSYIPR-UHFFFAOYSA-N 1 2 399.520 3.538 20 30 GHEDLO Cn1c(CC#N)nn(C[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCCC2)c1=S ZINC000794626232 887693353 /nfs/dbraw/zinc/69/33/53/887693353.db2.gz OXHRHRYGOSYIPR-UHFFFAOYSA-N 1 2 399.520 3.538 20 30 GHEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@@H](c3ccn[nH]3)C1)CCCCC2 ZINC000193995992 887944572 /nfs/dbraw/zinc/94/45/72/887944572.db2.gz VGSROSIKVSBOTM-OAHLLOKOSA-N 1 2 397.548 3.820 20 30 GHEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@@H](c3ccn[nH]3)C1)CCCCC2 ZINC000193995992 887944581 /nfs/dbraw/zinc/94/45/81/887944581.db2.gz VGSROSIKVSBOTM-OAHLLOKOSA-N 1 2 397.548 3.820 20 30 GHEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000459377205 888444787 /nfs/dbraw/zinc/44/47/87/888444787.db2.gz XHMATWCAKNHGSM-UHFFFAOYSA-N 1 2 388.431 3.631 20 30 GHEDLO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc32)C1 ZINC000810531549 888604455 /nfs/dbraw/zinc/60/44/55/888604455.db2.gz MZZJOSCPERNDTB-JTSKRJEESA-N 1 2 381.451 3.700 20 30 GHEDLO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc32)C1 ZINC000810531549 888604471 /nfs/dbraw/zinc/60/44/71/888604471.db2.gz MZZJOSCPERNDTB-JTSKRJEESA-N 1 2 381.451 3.700 20 30 GHEDLO Cc1nc(N2CC[NH+]([C@H](C)c3ccc(Br)cc3)CC2)ccc1C#N ZINC000488068828 888612586 /nfs/dbraw/zinc/61/25/86/888612586.db2.gz SDYNWXIYOFXQBL-OAHLLOKOSA-N 1 2 385.309 3.907 20 30 GHEDLO C#C[C@H](NC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2)c1ccc(F)cc1 ZINC000794895777 888726493 /nfs/dbraw/zinc/72/64/93/888726493.db2.gz NMZIYIWGHRMZRU-FQEVSTJZSA-N 1 2 387.458 3.856 20 30 GHEDLO C#C[C@H](NC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2)c1ccc(F)cc1 ZINC000794895777 888726499 /nfs/dbraw/zinc/72/64/99/888726499.db2.gz NMZIYIWGHRMZRU-FQEVSTJZSA-N 1 2 387.458 3.856 20 30 GHEDLO Cc1ccc2c(C[NH+]3CCN([C@H](C#N)c4ccccc4)CC3)cc(=O)oc2c1C ZINC000153849844 888727660 /nfs/dbraw/zinc/72/76/60/888727660.db2.gz MXPVVWUIHKWMAU-JOCHJYFZSA-N 1 2 387.483 3.792 20 30 GHEDLO COc1ccc(NC(=S)NN=C(C)c2ccc(-n3cc[nH+]c3)cc2)cc1OC ZINC000916284471 888904777 /nfs/dbraw/zinc/90/47/77/888904777.db2.gz GEEIOEULNZNQBT-UHFFFAOYSA-N 1 2 395.488 3.600 20 30 GHEDLO Cc1cn2c([nH+]1)[C@@H](CNc1c(C#N)cnc3ccc(OC(F)F)cc31)CCC2 ZINC000532781271 888929084 /nfs/dbraw/zinc/92/90/84/888929084.db2.gz LODWDKXKLGPCOU-CYBMUJFWSA-N 1 2 383.402 3.624 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)cc1[N+](=O)[O-] ZINC000533224202 890041321 /nfs/dbraw/zinc/04/13/21/890041321.db2.gz JUHAYQXNALJYFE-UHFFFAOYSA-N 1 2 390.365 3.807 20 30 GHEDLO CC(=[NH+]NC(=S)Nc1c(C)cccc1C)c1cccc(N2CCOCC2)c1 ZINC000812382545 890594094 /nfs/dbraw/zinc/59/40/94/890594094.db2.gz OMYCTNZBFPLYFR-UHFFFAOYSA-N 1 2 382.533 3.851 20 30 GHEDLO NC(=[NH+]OCc1nc(C2CC2)no1)c1ccc(COc2ccccc2F)cc1 ZINC000123431673 890594953 /nfs/dbraw/zinc/59/49/53/890594953.db2.gz GXKDJBNBKKJWKM-UHFFFAOYSA-N 1 2 382.395 3.502 20 30 GHEDLO CC(C)OC1CC[NH+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000533475684 890646032 /nfs/dbraw/zinc/64/60/32/890646032.db2.gz HMNARMJLWFSUCO-INIZCTEOSA-N 1 2 375.538 3.766 20 30 GHEDLO N#CCc1ccsc1C(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC001133453834 890991537 /nfs/dbraw/zinc/99/15/37/890991537.db2.gz PLUCSBXOTHRFJY-UHFFFAOYSA-N 1 2 376.485 3.646 20 30 GHEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+](C)CCc1cccc(Br)c1 ZINC000812906705 891090820 /nfs/dbraw/zinc/09/08/20/891090820.db2.gz BSFUNVPXHIVASB-SFHVURJKSA-N 1 2 387.277 3.709 20 30 GHEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCc1cccc(Br)c1 ZINC000812906705 891090825 /nfs/dbraw/zinc/09/08/25/891090825.db2.gz BSFUNVPXHIVASB-SFHVURJKSA-N 1 2 387.277 3.709 20 30 GHEDLO Cc1cc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000123945440 891146092 /nfs/dbraw/zinc/14/60/92/891146092.db2.gz XOUMVSDEPXELMG-KSFYIVLOSA-N 1 2 387.487 3.886 20 30 GHEDLO N#Cc1cc(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)co1 ZINC001127425657 891362518 /nfs/dbraw/zinc/36/25/18/891362518.db2.gz JZCAHHDJGYLAGA-UHFFFAOYSA-N 1 2 378.259 3.852 20 30 GHEDLO Cc1nc(Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)ccc1C#N ZINC000813603032 891805523 /nfs/dbraw/zinc/80/55/23/891805523.db2.gz XEMRPFNYYWADDM-UHFFFAOYSA-N 1 2 386.297 3.520 20 30 GHEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000287948874 913600084 /nfs/dbraw/zinc/60/00/84/913600084.db2.gz XZFRYSQNHRKUMT-CQSZACIVSA-N 1 2 386.297 3.627 20 30 GHEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000287948874 913600087 /nfs/dbraw/zinc/60/00/87/913600087.db2.gz XZFRYSQNHRKUMT-CQSZACIVSA-N 1 2 386.297 3.627 20 30 GHEDLO C=CC[C@@H](NC(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1)c1ccncc1 ZINC000875300153 892534894 /nfs/dbraw/zinc/53/48/94/892534894.db2.gz VQKXYOJXXIGOLU-OAQYLSRUSA-N 1 2 389.503 3.708 20 30 GHEDLO O=C(C[NH+]1CCC2(CC1)CC(=O)C=CO2)Nc1ccccc1-c1ccccc1 ZINC000933649798 893115561 /nfs/dbraw/zinc/11/55/61/893115561.db2.gz HWNCKWDAHAHAQE-UHFFFAOYSA-N 1 2 376.456 3.630 20 30 GHEDLO N#CCOc1ccc(Cl)cc1C[NH+]1CCC(Oc2cncc(Cl)n2)CC1 ZINC000778180041 893122868 /nfs/dbraw/zinc/12/28/68/893122868.db2.gz PVJMZKCZBMLQOK-UHFFFAOYSA-N 1 2 393.274 3.729 20 30 GHEDLO C=CCn1cc2ccc(NC(=O)N(C)CCCc3[nH+]ccn3CCC)cc2n1 ZINC000933680986 893128921 /nfs/dbraw/zinc/12/89/21/893128921.db2.gz IDVSTUREMDSXOI-UHFFFAOYSA-N 1 2 380.496 3.925 20 30 GHEDLO Cc1ccc([C@@H]([NH2+]C[C@H](C#N)CCC#N)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000562994003 893253956 /nfs/dbraw/zinc/25/39/56/893253956.db2.gz SYJMTSAXCUCMEY-AVRDEDQJSA-N 1 2 395.528 3.830 20 30 GHEDLO Cn1cc([C@@H]2CSCCC[N@@H+]2Cc2ccc(C#N)cc2OC(F)F)cn1 ZINC000933986166 893337724 /nfs/dbraw/zinc/33/77/24/893337724.db2.gz PZPVHXPUABCPLP-INIZCTEOSA-N 1 2 378.448 3.573 20 30 GHEDLO Cn1cc([C@@H]2CSCCC[N@H+]2Cc2ccc(C#N)cc2OC(F)F)cn1 ZINC000933986166 893337738 /nfs/dbraw/zinc/33/77/38/893337738.db2.gz PZPVHXPUABCPLP-INIZCTEOSA-N 1 2 378.448 3.573 20 30 GHEDLO N#Cc1ccc(-c2nnc(C[NH2+][C@@H](c3ccccc3)C3(CO)CCCC3)o2)cc1 ZINC000459531175 893744488 /nfs/dbraw/zinc/74/44/88/893744488.db2.gz NOXYUUVINCNQLY-NRFANRHFSA-N 1 2 388.471 3.992 20 30 GHEDLO Cc1nsc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1C#N ZINC000564177763 894689676 /nfs/dbraw/zinc/68/96/76/894689676.db2.gz HIOWMTDBQPSKSK-CABCVRRESA-N 1 2 393.875 3.683 20 30 GHEDLO Cc1nsc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1C#N ZINC000564177763 894689682 /nfs/dbraw/zinc/68/96/82/894689682.db2.gz HIOWMTDBQPSKSK-CABCVRRESA-N 1 2 393.875 3.683 20 30 GHEDLO N#Cc1cccc([C@@H](NC(=O)NCCCCNc2cccc[nH+]2)C(F)(F)F)c1 ZINC000880927186 896005272 /nfs/dbraw/zinc/00/52/72/896005272.db2.gz FKOMOVNHKONHIR-QGZVFWFLSA-N 1 2 391.397 3.748 20 30 GHEDLO C=CCn1cc(C[NH2+][C@H](c2ccccc2)[C@@H]2CCCN2C(=O)OC(C)(C)C)nn1 ZINC000818347640 896122768 /nfs/dbraw/zinc/12/27/68/896122768.db2.gz TYSJFPVLOXJYME-VQTJNVASSA-N 1 2 397.523 3.695 20 30 GHEDLO C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(Br)c(F)cc1F)CC2 ZINC001275477273 914156709 /nfs/dbraw/zinc/15/67/09/914156709.db2.gz HWZWTPWYAAXFMW-ZDUSSCGKSA-N 1 2 399.279 3.632 20 30 GHEDLO O[C@@H](C[NH2+][C@@H](c1cccnc1)c1ccc(F)cc1F)C(F)(F)C(F)(F)F ZINC000883361126 897533932 /nfs/dbraw/zinc/53/39/32/897533932.db2.gz UWNJYRABLLYBEF-KBPBESRZSA-N 1 2 382.279 3.597 20 30 GHEDLO N#Cc1ccccc1COc1ccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000101862677 897975145 /nfs/dbraw/zinc/97/51/45/897975145.db2.gz VKZHAAAFVLWXKD-UHFFFAOYSA-N 1 2 386.455 3.811 20 30 GHEDLO C#CCC[NH+]1CCN(C(=O)c2cc3sc(Br)cc3s2)CC1 ZINC001136499218 898071838 /nfs/dbraw/zinc/07/18/38/898071838.db2.gz OYYXGVFHRJXOER-UHFFFAOYSA-N 1 2 383.336 3.506 20 30 GHEDLO Cc1csc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1C#N ZINC000573930817 900703159 /nfs/dbraw/zinc/70/31/59/900703159.db2.gz CSTWVKBXIDPASE-HZPDHXFCSA-N 1 2 376.432 3.773 20 30 GHEDLO Cc1csc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1C#N ZINC000573930817 900703168 /nfs/dbraw/zinc/70/31/68/900703168.db2.gz CSTWVKBXIDPASE-HZPDHXFCSA-N 1 2 376.432 3.773 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCC(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)nc1 ZINC001144169646 901216116 /nfs/dbraw/zinc/21/61/16/901216116.db2.gz PYKHLLUWKPSGAE-UHFFFAOYSA-N 1 2 389.377 3.947 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)[C@@]2(C#N)CC23CCCC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000575830190 901352306 /nfs/dbraw/zinc/35/23/06/901352306.db2.gz FRSWJSALMBABQN-QKLQHJQFSA-N 1 2 375.875 3.815 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)[C@@]2(C#N)CC23CCCC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000575830190 901352385 /nfs/dbraw/zinc/35/23/85/901352385.db2.gz FRSWJSALMBABQN-QKLQHJQFSA-N 1 2 375.875 3.815 20 30 GHEDLO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000576142909 901725790 /nfs/dbraw/zinc/72/57/90/901725790.db2.gz CFEDQIISQREDTF-ZDUSSCGKSA-N 1 2 388.924 3.582 20 30 GHEDLO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000576142909 901725805 /nfs/dbraw/zinc/72/58/05/901725805.db2.gz CFEDQIISQREDTF-ZDUSSCGKSA-N 1 2 388.924 3.582 20 30 GHEDLO C=C(Cc1ccccc1)C(=O)N1CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1 ZINC001144395069 902027860 /nfs/dbraw/zinc/02/78/60/902027860.db2.gz ISVGOXKAIIJZQG-UHFFFAOYSA-N 1 2 394.490 3.732 20 30 GHEDLO CC(C)(C)OC(=O)Nc1ncc(NC(=[NH2+])c2ccc3cc(O)ccc3c2)cn1 ZINC001171185410 902211939 /nfs/dbraw/zinc/21/19/39/902211939.db2.gz WVAIYWKYWGJULC-UHFFFAOYSA-N 1 2 379.420 3.719 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000126764378 902364470 /nfs/dbraw/zinc/36/44/70/902364470.db2.gz HUIRIAFTAJECTF-FXAWDEMLSA-N 1 2 395.528 3.778 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000126764378 902364482 /nfs/dbraw/zinc/36/44/82/902364482.db2.gz HUIRIAFTAJECTF-FXAWDEMLSA-N 1 2 395.528 3.778 20 30 GHEDLO Cc1sc(NC(=O)CN2CC[NH+](C/C=C/c3ccccc3)CC2)c(C#N)c1C ZINC000129322557 902792267 /nfs/dbraw/zinc/79/22/67/902792267.db2.gz HSIVLZHXKXSFNN-RMKNXTFCSA-N 1 2 394.544 3.506 20 30 GHEDLO Cc1ccc(O[C@@H]2C[C@H]3C[N@H+]([C@@H](C)Cc4cccc(C#N)c4)CCN3C2)cc1 ZINC001171221538 902853976 /nfs/dbraw/zinc/85/39/76/902853976.db2.gz OSIAYQAEKYNCGA-NGYIFUPDSA-N 1 2 375.516 3.635 20 30 GHEDLO Cc1ccc(O[C@@H]2C[C@H]3C[N@@H+]([C@@H](C)Cc4cccc(C#N)c4)CCN3C2)cc1 ZINC001171221538 902853988 /nfs/dbraw/zinc/85/39/88/902853988.db2.gz OSIAYQAEKYNCGA-NGYIFUPDSA-N 1 2 375.516 3.635 20 30 GHEDLO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCN(CCCC(=O)c2ccc(F)cc2)CC1 ZINC001171230366 903045403 /nfs/dbraw/zinc/04/54/03/903045403.db2.gz DCSJOMJFPSNFIE-IBGZPJMESA-N 1 2 393.506 3.909 20 30 GHEDLO C=CC[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)CC1CCCCC1 ZINC000264756416 903360352 /nfs/dbraw/zinc/36/03/52/903360352.db2.gz HKILLOUFSCUOHG-GOSISDBHSA-N 1 2 378.476 3.580 20 30 GHEDLO C=CC[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)CC1CCCCC1 ZINC000264756416 903360365 /nfs/dbraw/zinc/36/03/65/903360365.db2.gz HKILLOUFSCUOHG-GOSISDBHSA-N 1 2 378.476 3.580 20 30 GHEDLO N#Cc1ccccc1OCc1cccc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000265299899 903786673 /nfs/dbraw/zinc/78/66/73/903786673.db2.gz PIAMBRUZQOMATK-HXUWFJFHSA-N 1 2 386.455 3.880 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCSc3ccc(F)cc3)CC2)cc1 ZINC000036735520 904516547 /nfs/dbraw/zinc/51/65/47/904516547.db2.gz LADPIKVKAVZUTN-UHFFFAOYSA-N 1 2 383.492 3.524 20 30 GHEDLO C=CC(C)(C)CCNC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000627688226 905703679 /nfs/dbraw/zinc/70/36/79/905703679.db2.gz VMUGAGLCVCLXBM-UHFFFAOYSA-N 1 2 380.492 3.543 20 30 GHEDLO COC(=O)C1C/C(=C\c2cncn2C(C)C)C(=O)/C(=C\c2c[nH+]cn2C(C)C)C1 ZINC000901501430 921177074 /nfs/dbraw/zinc/17/70/74/921177074.db2.gz WDKMIEHEVIXRPM-VAQFQWRASA-N 1 2 396.491 3.861 20 30 GHEDLO COC(=O)C1C/C(=C\c2c[nH+]cn2C(C)C)C(=O)/C(=C\c2cncn2C(C)C)C1 ZINC000901501430 921177082 /nfs/dbraw/zinc/17/70/82/921177082.db2.gz WDKMIEHEVIXRPM-VAQFQWRASA-N 1 2 396.491 3.861 20 30 GHEDLO C[C@H]1CCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C[C@H]1n1cc[nH+]c1 ZINC000177745313 906208892 /nfs/dbraw/zinc/20/88/92/906208892.db2.gz HBHNPKDONDBHBW-MAUKXSAKSA-N 1 2 390.409 3.546 20 30 GHEDLO CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3csc(C#N)c3)c[nH+]2)CC1 ZINC001174453931 907059734 /nfs/dbraw/zinc/05/97/34/907059734.db2.gz UYUBSLDYEDWASY-UHFFFAOYSA-N 1 2 385.493 3.815 20 30 GHEDLO C[C@@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1ncc(-c2ccccc2)o1 ZINC000299426497 921309057 /nfs/dbraw/zinc/30/90/57/921309057.db2.gz UXCPWHNUPVIDOE-CZUORRHYSA-N 1 2 378.457 3.731 20 30 GHEDLO C=CCNC(=O)c1ccc(NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cc1 ZINC000183726405 907447488 /nfs/dbraw/zinc/44/74/88/907447488.db2.gz PXTFNQZUANHFLN-INIZCTEOSA-N 1 2 398.532 3.575 20 30 GHEDLO CN(C)c1ccc(Nc2cc(F)c(C#N)cc2I)c[nH+]1 ZINC001175343999 907485328 /nfs/dbraw/zinc/48/53/28/907485328.db2.gz MNPAOYUGBGZIQZ-UHFFFAOYSA-N 1 2 382.180 3.507 20 30 GHEDLO N#Cc1ccc(I)c(Nc2ccc(N3CCCC3)[nH+]c2)c1 ZINC001175349735 907511244 /nfs/dbraw/zinc/51/12/44/907511244.db2.gz DVOGAEXPCKGSOM-UHFFFAOYSA-N 1 2 390.228 3.902 20 30 GHEDLO CC(C)(C)OC(=O)N1CC2(CCC2)[C@H]1C1CC[NH+](Cc2ccncc2C#N)CC1 ZINC001175652679 907660887 /nfs/dbraw/zinc/66/08/87/907660887.db2.gz YMKAIJZSVHXAGY-HXUWFJFHSA-N 1 2 396.535 3.955 20 30 GHEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCSC[C@H]2c2nccs2)cc1Cl ZINC000187063182 908029555 /nfs/dbraw/zinc/02/95/55/908029555.db2.gz CMNAIATUYUFJRG-HNNXBMFYSA-N 1 2 392.937 3.787 20 30 GHEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCSC[C@H]2c2nccs2)cc1Cl ZINC000187063182 908029574 /nfs/dbraw/zinc/02/95/74/908029574.db2.gz CMNAIATUYUFJRG-HNNXBMFYSA-N 1 2 392.937 3.787 20 30 GHEDLO C=CC[C@H](C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1)c1ccccc1 ZINC000187167469 908050939 /nfs/dbraw/zinc/05/09/39/908050939.db2.gz FTYQEFGVJFEAFQ-QHCPKHFHSA-N 1 2 391.515 3.649 20 30 GHEDLO Cc1oc(NC(=O)C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)c(C#N)c1C ZINC000245931490 910005877 /nfs/dbraw/zinc/00/58/77/910005877.db2.gz JJEIXMLVIXARIE-FUHWJXTLSA-N 1 2 385.464 3.668 20 30 GHEDLO Cc1oc(NC(=O)C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)c(C#N)c1C ZINC000245931490 910005883 /nfs/dbraw/zinc/00/58/83/910005883.db2.gz JJEIXMLVIXARIE-FUHWJXTLSA-N 1 2 385.464 3.668 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2Cc3ccccc3O[C@H](C)C2)cc1 ZINC000795428805 910271139 /nfs/dbraw/zinc/27/11/39/910271139.db2.gz BSXRESJZMVOCJH-MOPGFXCFSA-N 1 2 377.488 3.913 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2Cc3ccccc3O[C@H](C)C2)cc1 ZINC000795428805 910271157 /nfs/dbraw/zinc/27/11/57/910271157.db2.gz BSXRESJZMVOCJH-MOPGFXCFSA-N 1 2 377.488 3.913 20 30 GHEDLO C=CC[N@@H+](CCc1ccco1)CN1Cc2cccc(Br)c2C1=O ZINC000795447235 910365904 /nfs/dbraw/zinc/36/59/04/910365904.db2.gz WUICDTKVAKVUGC-UHFFFAOYSA-N 1 2 375.266 3.686 20 30 GHEDLO C=CC[N@H+](CCc1ccco1)CN1Cc2cccc(Br)c2C1=O ZINC000795447235 910365920 /nfs/dbraw/zinc/36/59/20/910365920.db2.gz WUICDTKVAKVUGC-UHFFFAOYSA-N 1 2 375.266 3.686 20 30 GHEDLO C[C@H](CC(=O)c1ccccc1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001182170715 911223098 /nfs/dbraw/zinc/22/30/98/911223098.db2.gz PAKWMUNYYBWEFI-LJQANCHMSA-N 1 2 389.499 3.570 20 30 GHEDLO C[NH+]1CCN(c2ccc(N[C@@H]3CCC[C@@H](C#N)C3)cc2Br)CC1 ZINC000774378050 911685315 /nfs/dbraw/zinc/68/53/15/911685315.db2.gz XJHLANHVAMQYHI-HUUCEWRRSA-N 1 2 377.330 3.695 20 30 GHEDLO C[C@H](C#N)Oc1ccc(C[NH+]2CCN(C(=O)CCCc3ccccc3)CC2)cc1 ZINC000092755224 911773582 /nfs/dbraw/zinc/77/35/82/911773582.db2.gz XDCXNLKJAQFSRL-HXUWFJFHSA-N 1 2 391.515 3.645 20 30 GHEDLO CCCCCCCCS(=O)(=O)NCc1c[nH+]cn1Cc1ccccc1OC ZINC001188030484 915722023 /nfs/dbraw/zinc/72/20/23/915722023.db2.gz OUEUNJGOPSHNJS-UHFFFAOYSA-N 1 2 393.553 3.720 20 30 GHEDLO C=C(C)CNC(=O)[C@H]1CC12CC[NH+](Cc1[nH]c(CCCC)nc1Cl)CC2 ZINC001275715545 916304648 /nfs/dbraw/zinc/30/46/48/916304648.db2.gz VFNBICQELCPQAY-OAHLLOKOSA-N 1 2 378.948 3.700 20 30 GHEDLO C[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc(N2CCCC2=O)cc1 ZINC000775268485 916746693 /nfs/dbraw/zinc/74/66/93/916746693.db2.gz ZRTRFQCFBVLWQA-HNNXBMFYSA-N 1 2 387.443 3.586 20 30 GHEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@H](C(N)=O)c1ccc(Br)cc1 ZINC001190456990 917356854 /nfs/dbraw/zinc/35/68/54/917356854.db2.gz GQVOYHXJTCCONS-SFHVURJKSA-N 1 2 389.293 3.672 20 30 GHEDLO C=CC[N@H+](Cc1ccc(OC)cc1)[C@H](C(N)=O)c1ccc(Br)cc1 ZINC001190456990 917356869 /nfs/dbraw/zinc/35/68/69/917356869.db2.gz GQVOYHXJTCCONS-SFHVURJKSA-N 1 2 389.293 3.672 20 30 GHEDLO N#Cc1ccc(C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)cn1 ZINC000115062118 919433845 /nfs/dbraw/zinc/43/38/45/919433845.db2.gz AMQPSDUXJPMGPY-UHFFFAOYSA-N 1 2 393.450 3.795 20 30 GHEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(Cl)ccc1Br ZINC001275958552 920234802 /nfs/dbraw/zinc/23/48/02/920234802.db2.gz YXQRBYOXHIZLGC-SFHVURJKSA-N 1 2 395.728 3.693 20 30 GHEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Cl)ccc1Br ZINC001275958552 920234812 /nfs/dbraw/zinc/23/48/12/920234812.db2.gz YXQRBYOXHIZLGC-SFHVURJKSA-N 1 2 395.728 3.693 20 30 GHEDLO C#CCOc1ccc(NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000800538135 920254132 /nfs/dbraw/zinc/25/41/32/920254132.db2.gz KLVSEMDQDBHTAO-KRWDZBQOSA-N 1 2 378.476 3.643 20 30 GHEDLO C=CCN(CC=C)C(=O)[C@@H](C)Sc1nnc([C@@H](CC)[NH+](C)C)n1CCCC ZINC000298163572 920266728 /nfs/dbraw/zinc/26/67/28/920266728.db2.gz UVJOTMGHXSEYQB-IAGOWNOFSA-N 1 2 393.601 3.772 20 30 GHEDLO C[C@@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1nc(C(F)(F)F)cs1 ZINC000298440543 920537078 /nfs/dbraw/zinc/53/70/78/920537078.db2.gz GXILOLXIRUCDNW-PSASIEDQSA-N 1 2 386.424 3.551 20 30 GHEDLO C[C@@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367058111 921898256 /nfs/dbraw/zinc/89/82/56/921898256.db2.gz PYAZQZFFJCQXEF-KRWDZBQOSA-N 1 2 385.471 3.514 20 30 GHEDLO COc1ccc(Br)c(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000367080202 921909483 /nfs/dbraw/zinc/90/94/83/921909483.db2.gz YOEVCBLXGXORQM-UHFFFAOYSA-N 1 2 386.293 3.910 20 30 GHEDLO Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCCCc2[nH+]ccn2C)cc1C ZINC000802784403 922402309 /nfs/dbraw/zinc/40/23/09/922402309.db2.gz OFWKPFSZKAWRAC-UHFFFAOYSA-N 1 2 391.475 3.604 20 30 GHEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(O)(c2scnc2Br)CC1 ZINC000369721597 923571010 /nfs/dbraw/zinc/57/10/10/923571010.db2.gz FUEPDKGAYTZNGW-LBPRGKRZSA-N 1 2 392.322 3.822 20 30 GHEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)cc1 ZINC000370157859 923912172 /nfs/dbraw/zinc/91/21/72/923912172.db2.gz AVBVFGFZKKNXJB-OXQOHEQNSA-N 1 2 396.491 3.982 20 30 GHEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)cc1 ZINC000370157859 923912184 /nfs/dbraw/zinc/91/21/84/923912184.db2.gz AVBVFGFZKKNXJB-OXQOHEQNSA-N 1 2 396.491 3.982 20 30 GHEDLO CCN(C(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1)[C@H](C)c1ccc(F)cc1 ZINC000370294930 924017427 /nfs/dbraw/zinc/01/74/27/924017427.db2.gz SZPLYDDNOCFIKR-GOSISDBHSA-N 1 2 394.494 3.688 20 30 GHEDLO Cc1cc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000373069101 925841185 /nfs/dbraw/zinc/84/11/85/925841185.db2.gz IHROFJAGSDXBKD-LJQANCHMSA-N 1 2 387.487 3.719 20 30 GHEDLO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3ccc(Cl)nc3F)CC2)C1 ZINC001137471168 925936821 /nfs/dbraw/zinc/93/68/21/925936821.db2.gz ZDNCDOLDJAUAMP-UHFFFAOYSA-N 1 2 381.879 3.875 20 30 GHEDLO N#CC1(c2ccc(C[NH+]3CC(O)(c4ccc(Br)cc4)C3)cc2)CC1 ZINC000827750629 925945741 /nfs/dbraw/zinc/94/57/41/925945741.db2.gz LVTZMZBZIQBBJZ-UHFFFAOYSA-N 1 2 383.289 3.708 20 30 GHEDLO COc1ccc(C[N@H+](CCC2(C#N)CCCCC2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000411140052 926116607 /nfs/dbraw/zinc/11/66/07/926116607.db2.gz ZHQUKLANNSCRAU-LJQANCHMSA-N 1 2 390.549 3.548 20 30 GHEDLO COc1ccc(C[N@@H+](CCC2(C#N)CCCCC2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000411140052 926116612 /nfs/dbraw/zinc/11/66/12/926116612.db2.gz ZHQUKLANNSCRAU-LJQANCHMSA-N 1 2 390.549 3.548 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)C[C@@H](CC#N)c2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000373573420 926257795 /nfs/dbraw/zinc/25/77/95/926257795.db2.gz BNEMEQCXZRLJCV-QGCDCVKKSA-N 1 2 383.442 3.914 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)C[C@@H](CC#N)c2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000373573420 926257799 /nfs/dbraw/zinc/25/77/99/926257799.db2.gz BNEMEQCXZRLJCV-QGCDCVKKSA-N 1 2 383.442 3.914 20 30 GHEDLO CCc1ccc(NC(=O)[C@H](C#N)C(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)cc1 ZINC000796636834 926381036 /nfs/dbraw/zinc/38/10/36/926381036.db2.gz RLABRMJBLTWLCO-OAHLLOKOSA-N 1 2 396.397 3.533 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(OCC2CC2)CC1 ZINC000374096406 926754444 /nfs/dbraw/zinc/75/44/44/926754444.db2.gz XSCDPXPRFRBLQI-MRXNPFEDSA-N 1 2 387.549 3.910 20 30 GHEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)Cc2ccc(OCC#N)cc2)c(C)c1 ZINC000749888809 927332741 /nfs/dbraw/zinc/33/27/41/927332741.db2.gz RHOLDQFCZWNJLW-JOCHJYFZSA-N 1 2 388.471 3.503 20 30 GHEDLO CC1(C)C(=O)N(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)[C@H]1c1ccccc1 ZINC000749950003 927367700 /nfs/dbraw/zinc/36/77/00/927367700.db2.gz IBBPFVBKCVQSKK-QFIPXVFZSA-N 1 2 389.499 3.969 20 30 GHEDLO CC1(C)C(=O)N(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)[C@H]1c1ccccc1 ZINC000749952595 927369286 /nfs/dbraw/zinc/36/92/86/927369286.db2.gz VWUXLZCIGKGYFX-QFIPXVFZSA-N 1 2 389.499 3.969 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2ccccc2)CC1N=Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000751525542 928235173 /nfs/dbraw/zinc/23/51/73/928235173.db2.gz HLJPTSFZRYLTSY-CQSZACIVSA-N 1 2 393.459 3.603 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CC1N=Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000751525542 928235185 /nfs/dbraw/zinc/23/51/85/928235185.db2.gz HLJPTSFZRYLTSY-CQSZACIVSA-N 1 2 393.459 3.603 20 30 GHEDLO N#Cc1ccc(OCCC[N@H+]2CCc3c(ncn3-c3ccc(F)cc3)C2)cc1 ZINC000781350063 930807283 /nfs/dbraw/zinc/80/72/83/930807283.db2.gz DDXBUBFVUOQPIL-UHFFFAOYSA-N 1 2 376.435 3.710 20 30 GHEDLO N#Cc1ccc(OCCC[N@@H+]2CCc3c(ncn3-c3ccc(F)cc3)C2)cc1 ZINC000781350063 930807286 /nfs/dbraw/zinc/80/72/86/930807286.db2.gz DDXBUBFVUOQPIL-UHFFFAOYSA-N 1 2 376.435 3.710 20 30 GHEDLO N#CCC1CC[NH+](Cc2cc(Br)cc(Br)c2N)CC1 ZINC000547330241 930921562 /nfs/dbraw/zinc/92/15/62/930921562.db2.gz BRYFZAWDUJUIBA-UHFFFAOYSA-N 1 2 387.119 3.919 20 30 GHEDLO COc1cccc2c1CC[N@H+](CC(=O)N(CCC#N)c1ccc(C)c(C)c1)C2 ZINC000782527631 931258619 /nfs/dbraw/zinc/25/86/19/931258619.db2.gz MSCADRBNBYSKDQ-UHFFFAOYSA-N 1 2 377.488 3.617 20 30 GHEDLO COc1cccc2c1CC[N@@H+](CC(=O)N(CCC#N)c1ccc(C)c(C)c1)C2 ZINC000782527631 931258629 /nfs/dbraw/zinc/25/86/29/931258629.db2.gz MSCADRBNBYSKDQ-UHFFFAOYSA-N 1 2 377.488 3.617 20 30 GHEDLO CC(=O)C1=C(c2ccc(F)cc2)NC(=S)N[C@H]1c1cc(-n2cc[nH+]c2)cs1 ZINC000783940578 931724669 /nfs/dbraw/zinc/72/46/69/931724669.db2.gz UWGGEEOHJSDSBE-SFHVURJKSA-N 1 2 398.488 3.592 20 30 GHEDLO C=CCn1c2nn(C[N@H+]3CC[C@@H](C(C)(C)C)C3)c(=S)n2c2ccccc2c1=O ZINC000784033314 931762207 /nfs/dbraw/zinc/76/22/07/931762207.db2.gz FFHJEZKIIAFCII-OAHLLOKOSA-N 1 2 397.548 3.692 20 30 GHEDLO C=CCn1c2nn(C[N@@H+]3CC[C@@H](C(C)(C)C)C3)c(=S)n2c2ccccc2c1=O ZINC000784033314 931762213 /nfs/dbraw/zinc/76/22/13/931762213.db2.gz FFHJEZKIIAFCII-OAHLLOKOSA-N 1 2 397.548 3.692 20 30 GHEDLO Cc1cc(C[NH+]2CCC(O)(c3scnc3Br)CC2)ccc1C#N ZINC000797523065 932318846 /nfs/dbraw/zinc/31/88/46/932318846.db2.gz CILXBSWEOCKBHL-UHFFFAOYSA-N 1 2 392.322 3.569 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)/C=C/c2ccccc2C#N)[C@@H](C)C1 ZINC000799425125 932998841 /nfs/dbraw/zinc/99/88/41/932998841.db2.gz GRYWUXGJNPQJPR-HYSAVQALSA-N 1 2 389.499 3.703 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)/C=C/c2ccccc2C#N)[C@@H](C)C1 ZINC000799425125 932998848 /nfs/dbraw/zinc/99/88/48/932998848.db2.gz GRYWUXGJNPQJPR-HYSAVQALSA-N 1 2 389.499 3.703 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000777729097 933184625 /nfs/dbraw/zinc/18/46/25/933184625.db2.gz FHKARNNIIUTTFW-OAQYLSRUSA-N 1 2 386.492 3.636 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000777729097 933184632 /nfs/dbraw/zinc/18/46/32/933184632.db2.gz FHKARNNIIUTTFW-OAQYLSRUSA-N 1 2 386.492 3.636 20 30 GHEDLO Cc1ccc(S(=O)(=O)C2CC[NH+](CCCOc3cccc(C#N)c3)CC2)cc1 ZINC001119323046 934332494 /nfs/dbraw/zinc/33/24/94/934332494.db2.gz SGFNIYQXJFWJKY-UHFFFAOYSA-N 1 2 398.528 3.574 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(c2ncco2)CC1 ZINC000931446774 934563627 /nfs/dbraw/zinc/56/36/27/934563627.db2.gz YFQRHFLXANHSSK-OAHLLOKOSA-N 1 2 384.505 3.744 20 30 GHEDLO C=C(C)Cn1c([C@H](O)CC(C)(C)C)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001122373903 934858583 /nfs/dbraw/zinc/85/85/83/934858583.db2.gz DRBKUMZCAMMXBF-GOSISDBHSA-N 1 2 398.555 3.800 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@H](COC)C1 ZINC001122441260 934871136 /nfs/dbraw/zinc/87/11/36/934871136.db2.gz RKAXBCAMTWRBQJ-ICSRJNTNSA-N 1 2 383.540 3.520 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@H](COC)C1 ZINC001122441260 934871144 /nfs/dbraw/zinc/87/11/44/934871144.db2.gz RKAXBCAMTWRBQJ-ICSRJNTNSA-N 1 2 383.540 3.520 20 30 GHEDLO COc1ncnc2c1CC[N@H+](Cc1ccc(N(C)c3ccc(C#N)cc3)cc1)C2 ZINC001137902734 935856655 /nfs/dbraw/zinc/85/66/55/935856655.db2.gz QHIABSCKLRASIU-UHFFFAOYSA-N 1 2 385.471 3.683 20 30 GHEDLO COc1ncnc2c1CC[N@@H+](Cc1ccc(N(C)c3ccc(C#N)cc3)cc1)C2 ZINC001137902734 935856661 /nfs/dbraw/zinc/85/66/61/935856661.db2.gz QHIABSCKLRASIU-UHFFFAOYSA-N 1 2 385.471 3.683 20 30 GHEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCc3c(F)ccc(Br)c3C2)cc1 ZINC000830200715 935912447 /nfs/dbraw/zinc/91/24/47/935912447.db2.gz SJSLKYIRBXWXIX-GOSISDBHSA-N 1 2 375.241 3.552 20 30 GHEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCc3c(F)ccc(Br)c3C2)cc1 ZINC000830200715 935912450 /nfs/dbraw/zinc/91/24/50/935912450.db2.gz SJSLKYIRBXWXIX-GOSISDBHSA-N 1 2 375.241 3.552 20 30 GHEDLO COc1c(Cl)c(Cl)ccc1C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCC#N ZINC001276816892 1032168800 /nfs/dbraw/zinc/16/88/00/1032168800.db2.gz QZSORFKITSCQPQ-HZPDHXFCSA-N 1 2 396.318 3.871 20 30 GHEDLO COc1c(Cl)c(Cl)ccc1C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCC#N ZINC001276816892 1032168810 /nfs/dbraw/zinc/16/88/10/1032168810.db2.gz QZSORFKITSCQPQ-HZPDHXFCSA-N 1 2 396.318 3.871 20 30 GHEDLO CCCc1c(NC(=O)c2ccn3c(C)c[nH+]c3c2)cnn1-c1cccc(C#N)c1 ZINC001154627020 1032217885 /nfs/dbraw/zinc/21/78/85/1032217885.db2.gz WPTXVVJQKBXMDT-UHFFFAOYSA-N 1 2 384.443 3.905 20 30 GHEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000558128805 1017123534 /nfs/dbraw/zinc/12/35/34/1017123534.db2.gz ABWFAQPWIQXMIF-HNNXBMFYSA-N 1 2 385.493 3.826 20 30 GHEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000558128805 1017123542 /nfs/dbraw/zinc/12/35/42/1017123542.db2.gz ABWFAQPWIQXMIF-HNNXBMFYSA-N 1 2 385.493 3.826 20 30 GHEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000932201650 1018142056 /nfs/dbraw/zinc/14/20/56/1018142056.db2.gz QGXQAEKYZBPVAE-HNNXBMFYSA-N 1 2 386.546 3.652 20 30 GHEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000932201650 1018142061 /nfs/dbraw/zinc/14/20/61/1018142061.db2.gz QGXQAEKYZBPVAE-HNNXBMFYSA-N 1 2 386.546 3.652 20 30 GHEDLO COc1ncccc1C[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932945142 1018776458 /nfs/dbraw/zinc/77/64/58/1018776458.db2.gz RQMQGLAATYMZSU-NXEZZACHSA-N 1 2 390.274 3.693 20 30 GHEDLO Cn1cc([C@H]2CSCCC[N@@H+]2Cc2ccc(C#N)cc2Br)cn1 ZINC000933976228 1018896350 /nfs/dbraw/zinc/89/63/50/1018896350.db2.gz NNRCXNLZSNCPJO-QGZVFWFLSA-N 1 2 391.338 3.734 20 30 GHEDLO Cn1cc([C@H]2CSCCC[N@H+]2Cc2ccc(C#N)cc2Br)cn1 ZINC000933976228 1018896373 /nfs/dbraw/zinc/89/63/73/1018896373.db2.gz NNRCXNLZSNCPJO-QGZVFWFLSA-N 1 2 391.338 3.734 20 30 GHEDLO C=CCOc1ccccc1CNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000303433841 1021138519 /nfs/dbraw/zinc/13/85/19/1021138519.db2.gz AKTJIQQFEONTBR-NRFANRHFSA-N 1 2 382.529 3.658 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1cccc(-c2nccs2)c1 ZINC001140334459 1021433275 /nfs/dbraw/zinc/43/32/75/1021433275.db2.gz BUMWHWPNESVTTD-IBGZPJMESA-N 1 2 380.517 3.846 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1cccc(-c2nccs2)c1 ZINC001140334459 1021433284 /nfs/dbraw/zinc/43/32/84/1021433284.db2.gz BUMWHWPNESVTTD-IBGZPJMESA-N 1 2 380.517 3.846 20 30 GHEDLO COc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)cc1OCC1CC1 ZINC001140491243 1021823408 /nfs/dbraw/zinc/82/34/08/1021823408.db2.gz UPQIJWDZVOTYCN-UHFFFAOYSA-N 1 2 395.478 3.817 20 30 GHEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2cccc(C#Cc3cccs3)c2)C1 ZINC000677365907 1021826073 /nfs/dbraw/zinc/82/60/73/1021826073.db2.gz ZOGPBCLOIGGSIW-QGZVFWFLSA-N 1 2 376.485 3.903 20 30 GHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(CCCC2)c2cc(Br)ccc21 ZINC001137423178 1022232895 /nfs/dbraw/zinc/23/28/95/1022232895.db2.gz XCAUKCAJELPIPF-SFHVURJKSA-N 1 2 387.321 3.705 20 30 GHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(CCCC2)c2cc(Br)ccc21 ZINC001137423178 1022232903 /nfs/dbraw/zinc/23/29/03/1022232903.db2.gz XCAUKCAJELPIPF-SFHVURJKSA-N 1 2 387.321 3.705 20 30 GHEDLO C#Cc1cccc(CNC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000836297595 1022837520 /nfs/dbraw/zinc/83/75/20/1022837520.db2.gz KUBDMEGQRZWLBW-QZTJIDSGSA-N 1 2 377.488 3.599 20 30 GHEDLO C#CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000754897207 1022956222 /nfs/dbraw/zinc/95/62/22/1022956222.db2.gz FJYHGKCSMDHGQS-PMACEKPBSA-N 1 2 386.854 3.666 20 30 GHEDLO C#CCOc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000754897207 1022956228 /nfs/dbraw/zinc/95/62/28/1022956228.db2.gz FJYHGKCSMDHGQS-PMACEKPBSA-N 1 2 386.854 3.666 20 30 GHEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1ccc(C(F)(F)F)c(F)c1)CC2 ZINC001204872325 1033136467 /nfs/dbraw/zinc/13/64/67/1033136467.db2.gz WFKIHMSEFKODIN-UHFFFAOYSA-N 1 2 383.389 3.839 20 30 GHEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1ccc(C(F)(F)F)c(F)c1)CC2 ZINC001204872325 1033136475 /nfs/dbraw/zinc/13/64/75/1033136475.db2.gz WFKIHMSEFKODIN-UHFFFAOYSA-N 1 2 383.389 3.839 20 30 GHEDLO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1sc(N)c(C#N)c1Cl ZINC001141108804 1023521364 /nfs/dbraw/zinc/52/13/64/1023521364.db2.gz HKJXJFPAHQWVSG-NSHDSACASA-N 1 2 384.933 3.687 20 30 GHEDLO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1sc(N)c(C#N)c1Cl ZINC001141108804 1023521370 /nfs/dbraw/zinc/52/13/70/1023521370.db2.gz HKJXJFPAHQWVSG-NSHDSACASA-N 1 2 384.933 3.687 20 30 GHEDLO CCC(=O)c1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ccc1F ZINC000756899321 1023852036 /nfs/dbraw/zinc/85/20/36/1023852036.db2.gz WKXVXEGNFIFMGJ-UHFFFAOYSA-N 1 2 393.462 3.638 20 30 GHEDLO CCC(=O)c1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)ccc1F ZINC000756899321 1023852042 /nfs/dbraw/zinc/85/20/42/1023852042.db2.gz WKXVXEGNFIFMGJ-UHFFFAOYSA-N 1 2 393.462 3.638 20 30 GHEDLO COc1ccc(C(F)(F)F)cc1C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC001141202475 1024117803 /nfs/dbraw/zinc/11/78/03/1024117803.db2.gz JJZCSNOMVOGCIV-UHFFFAOYSA-N 1 2 375.394 3.908 20 30 GHEDLO C=CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@]2(CC)c1cccc(Nc2ccn3cc[nH+]c3c2)c1 ZINC001205005991 1033203844 /nfs/dbraw/zinc/20/38/44/1033203844.db2.gz QYIHOSDPBLWDLO-JHDGKUDLSA-N 1 2 386.455 3.527 20 30 GHEDLO C#C[C@@H](NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000831306866 1024483548 /nfs/dbraw/zinc/48/35/48/1024483548.db2.gz LYBGSULQBMBDKV-LVCYWYKZSA-N 1 2 377.488 3.792 20 30 GHEDLO C#C[C@@H](NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000831306866 1024483557 /nfs/dbraw/zinc/48/35/57/1024483557.db2.gz LYBGSULQBMBDKV-LVCYWYKZSA-N 1 2 377.488 3.792 20 30 GHEDLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC001156787821 1033241206 /nfs/dbraw/zinc/24/12/06/1033241206.db2.gz APWMLVJVLVCIHC-UHFFFAOYSA-N 1 2 384.399 3.837 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cnc(C)c(Br)c1 ZINC001277352936 1033259152 /nfs/dbraw/zinc/25/91/52/1033259152.db2.gz ZVHLIIMJSJCHBF-IBGZPJMESA-N 1 2 392.341 3.686 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cnc(C)c(Br)c1 ZINC001277352936 1033259154 /nfs/dbraw/zinc/25/91/54/1033259154.db2.gz ZVHLIIMJSJCHBF-IBGZPJMESA-N 1 2 392.341 3.686 20 30 GHEDLO C[C@@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccc(N2CCCOC2=O)cc1 ZINC000839026795 1025528820 /nfs/dbraw/zinc/52/88/20/1025528820.db2.gz ADLATCQCJJAHLJ-CQSZACIVSA-N 1 2 380.404 3.664 20 30 GHEDLO N#Cc1ccc2cc[nH+]c(N[C@@H]3CC(=O)N(Cc4ccccc4Cl)C3)c2c1 ZINC001162966938 1025991939 /nfs/dbraw/zinc/99/19/39/1025991939.db2.gz KUZGVEFLHFOGFF-QGZVFWFLSA-N 1 2 376.847 3.973 20 30 GHEDLO CC(C)OCC[NH+](CCOC(C)C)Cc1cc(C#N)ccc1Br ZINC001141659284 1026136639 /nfs/dbraw/zinc/13/66/39/1026136639.db2.gz IPEAFALNSUOSFH-UHFFFAOYSA-N 1 2 383.330 3.973 20 30 GHEDLO N#Cc1ccnc(-c2ccc(C[N@@H+]3CCO[C@H](COc4ccccc4)C3)cc2)c1 ZINC001139405571 1026277973 /nfs/dbraw/zinc/27/79/73/1026277973.db2.gz UYGZAJKOCCEVKU-QHCPKHFHSA-N 1 2 385.467 3.900 20 30 GHEDLO N#Cc1ccnc(-c2ccc(C[N@H+]3CCO[C@H](COc4ccccc4)C3)cc2)c1 ZINC001139405571 1026277986 /nfs/dbraw/zinc/27/79/86/1026277986.db2.gz UYGZAJKOCCEVKU-QHCPKHFHSA-N 1 2 385.467 3.900 20 30 GHEDLO [NH2+]=C(Nc1c[nH]c2ncc(Br)nc12)c1ccc(C(F)(F)F)cc1 ZINC001163685453 1026283174 /nfs/dbraw/zinc/28/31/74/1026283174.db2.gz ODVVGJBCCJXRDR-UHFFFAOYSA-N 1 2 384.159 3.776 20 30 GHEDLO N#Cc1ccc(Oc2ccc(C[NH+]3CCN(c4cccc(O)c4)CC3)cn2)cc1 ZINC001139429176 1026299455 /nfs/dbraw/zinc/29/94/55/1026299455.db2.gz SSYBANSVAWBZPR-UHFFFAOYSA-N 1 2 386.455 3.773 20 30 GHEDLO CC1(C)NC(=O)Cc2cc([NH+]=C(NO)c3ccc(OC(F)(F)F)cc3)ccc21 ZINC001163771082 1026311372 /nfs/dbraw/zinc/31/13/72/1026311372.db2.gz XBUVZIRDRPUARH-UHFFFAOYSA-N 1 2 393.365 3.550 20 30 GHEDLO Cc1cccc(N2CCC[C@]3(C2)C[N@H+](Cc2ccc(C#N)c(F)c2)CCO3)c1 ZINC001139527475 1026384750 /nfs/dbraw/zinc/38/47/50/1026384750.db2.gz CUWFOXYCBOBYCO-HSZRJFAPSA-N 1 2 379.479 3.877 20 30 GHEDLO Cc1cccc(N2CCC[C@]3(C2)C[N@@H+](Cc2ccc(C#N)c(F)c2)CCO3)c1 ZINC001139527475 1026384758 /nfs/dbraw/zinc/38/47/58/1026384758.db2.gz CUWFOXYCBOBYCO-HSZRJFAPSA-N 1 2 379.479 3.877 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCO[C@]3(CCC[C@H]3COCc3ccncc3)C2)cc1F ZINC001139528857 1026388045 /nfs/dbraw/zinc/38/80/45/1026388045.db2.gz ZWCDGDOVIJRCPF-JTHBVZDNSA-N 1 2 395.478 3.680 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCO[C@]3(CCC[C@H]3COCc3ccncc3)C2)cc1F ZINC001139528857 1026388052 /nfs/dbraw/zinc/38/80/52/1026388052.db2.gz ZWCDGDOVIJRCPF-JTHBVZDNSA-N 1 2 395.478 3.680 20 30 GHEDLO N#Cc1ccc(F)c(C[NH+]2CCN(c3cccc(OC(F)(F)F)c3)CC2)c1 ZINC001139650684 1026512069 /nfs/dbraw/zinc/51/20/69/1026512069.db2.gz RIRAIUWVAIUBEP-UHFFFAOYSA-N 1 2 379.357 3.918 20 30 GHEDLO N#Cc1ccc(F)c(C[NH+]2CCN(c3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC001139650858 1026512378 /nfs/dbraw/zinc/51/23/78/1026512378.db2.gz ZNZFHTHSERDOBF-UHFFFAOYSA-N 1 2 379.357 3.918 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1ccc(C)c(C#N)c1)CC2 ZINC001139723743 1026566003 /nfs/dbraw/zinc/56/60/03/1026566003.db2.gz GEYVSBFQWOHVJL-UHFFFAOYSA-N 1 2 376.504 3.734 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1ccc(C)c(C#N)c1)CC2 ZINC001139723743 1026566012 /nfs/dbraw/zinc/56/60/12/1026566012.db2.gz GEYVSBFQWOHVJL-UHFFFAOYSA-N 1 2 376.504 3.734 20 30 GHEDLO N#CCc1cc[nH+]c(N2CCC3(CCC(CC(=O)N4CC=CC4)CC3)CC2)c1 ZINC001165766531 1026826484 /nfs/dbraw/zinc/82/64/84/1026826484.db2.gz GCUCUJOVLWFOAT-UHFFFAOYSA-N 1 2 378.520 3.713 20 30 GHEDLO N#CCc1cc[nH+]c(N2CCC3(C=C(C(=O)N4CCCC4)c4ccccc43)CC2)c1 ZINC001166198617 1026940263 /nfs/dbraw/zinc/94/02/63/1026940263.db2.gz KNLKGWXMKIZUQV-UHFFFAOYSA-N 1 2 398.510 3.705 20 30 GHEDLO N#Cc1cccc(CN2CCO[C@H](c3[nH+]cn4c3cccc4Br)C2)c1 ZINC001203757573 1027580362 /nfs/dbraw/zinc/58/03/62/1027580362.db2.gz OUEIKOGBUFWCOG-KRWDZBQOSA-N 1 2 397.276 3.542 20 30 GHEDLO N#Cc1ccc(Br)cc1C[NH+]1CCC2(CC1)C(=O)Nc1ccccc12 ZINC001141897022 1027612766 /nfs/dbraw/zinc/61/27/66/1027612766.db2.gz FNVPXIYDVYTWTI-UHFFFAOYSA-N 1 2 396.288 3.807 20 30 GHEDLO COCC[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(Br)ccc1C#N)C2 ZINC001141899169 1027617914 /nfs/dbraw/zinc/61/79/14/1027617914.db2.gz FUUTUISEQYSURR-HNAYVOBHSA-N 1 2 393.325 3.728 20 30 GHEDLO COCC[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cc(Br)ccc1C#N)C2 ZINC001141899169 1027617923 /nfs/dbraw/zinc/61/79/23/1027617923.db2.gz FUUTUISEQYSURR-HNAYVOBHSA-N 1 2 393.325 3.728 20 30 GHEDLO COc1ccc(C[N@H+](C)Cc2cc(Br)ccc2C#N)cc1OC ZINC001141901015 1027622611 /nfs/dbraw/zinc/62/26/11/1027622611.db2.gz NORPJDQLFAAONU-UHFFFAOYSA-N 1 2 375.266 3.970 20 30 GHEDLO COc1ccc(C[N@@H+](C)Cc2cc(Br)ccc2C#N)cc1OC ZINC001141901015 1027622616 /nfs/dbraw/zinc/62/26/16/1027622616.db2.gz NORPJDQLFAAONU-UHFFFAOYSA-N 1 2 375.266 3.970 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(Nc3ccccc3C#N)c[nH+]2)C1 ZINC001210740193 1027632390 /nfs/dbraw/zinc/63/23/90/1027632390.db2.gz ZEUWHXQVABLYIG-QGZVFWFLSA-N 1 2 379.464 3.800 20 30 GHEDLO CCOCc1nnn2c1C[N@H+](Cc1ccc(C#Cc3ccccc3)s1)CCC2 ZINC001141975570 1027786914 /nfs/dbraw/zinc/78/69/14/1027786914.db2.gz AYENFPCQQWVKFD-UHFFFAOYSA-N 1 2 392.528 3.682 20 30 GHEDLO CCOCc1nnn2c1C[N@@H+](Cc1ccc(C#Cc3ccccc3)s1)CCC2 ZINC001141975570 1027786931 /nfs/dbraw/zinc/78/69/31/1027786931.db2.gz AYENFPCQQWVKFD-UHFFFAOYSA-N 1 2 392.528 3.682 20 30 GHEDLO Cc1sc(Nc2ccc(OCC[NH+]3CCOCC3)cc2F)c(C#N)c1C ZINC001213477850 1028210562 /nfs/dbraw/zinc/21/05/62/1028210562.db2.gz CEHCJMNYYZKWCV-UHFFFAOYSA-N 1 2 375.469 3.830 20 30 GHEDLO N#Cc1cc(F)c(Nc2ccc(OCC[NH+]3CCOCC3)cc2F)c(Cl)c1 ZINC001213487172 1028220049 /nfs/dbraw/zinc/22/00/49/1028220049.db2.gz KODQSMUGZGVJPC-UHFFFAOYSA-N 1 2 393.821 3.944 20 30 GHEDLO N#Cc1n[nH]cc1NC(=O)CC1=C(c2ccccc2)[NH2+]C(c2ccccc2)S1 ZINC001142483437 1028982717 /nfs/dbraw/zinc/98/27/17/1028982717.db2.gz PCJNZWBQJRJDAB-UHFFFAOYSA-N 1 2 386.460 3.853 20 30 GHEDLO COC(=O)c1ccc(C(=[NH2+])NC(O)=C(Cc2ccccc2)c2ccccc2)cc1 ZINC001220579685 1031997453 /nfs/dbraw/zinc/99/74/53/1031997453.db2.gz YSTSXCIGBBEXGN-NRFANRHFSA-N 1 2 386.451 3.732 20 30 GHEDLO N#Cc1cc(CN2CC[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)ccc1F ZINC001205502514 1033443117 /nfs/dbraw/zinc/44/31/17/1033443117.db2.gz ZVRMWBXFYIMOIT-IBGZPJMESA-N 1 2 377.385 3.946 20 30 GHEDLO N#Cc1cc(CN2CC[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)ccc1F ZINC001205502514 1033443124 /nfs/dbraw/zinc/44/31/24/1033443124.db2.gz ZVRMWBXFYIMOIT-IBGZPJMESA-N 1 2 377.385 3.946 20 30 GHEDLO C=CCOC(=O)[C@@H](Nc1ncnc2c1C[N@H+](Cc1ccccc1)CC2)[C@@H](C)CC ZINC001157182170 1033453398 /nfs/dbraw/zinc/45/33/98/1033453398.db2.gz RHYKXUJEJBRZKB-UWJYYQICSA-N 1 2 394.519 3.591 20 30 GHEDLO C=CCOC(=O)[C@@H](Nc1ncnc2c1C[N@@H+](Cc1ccccc1)CC2)[C@@H](C)CC ZINC001157182170 1033453402 /nfs/dbraw/zinc/45/34/02/1033453402.db2.gz RHYKXUJEJBRZKB-UWJYYQICSA-N 1 2 394.519 3.591 20 30 GHEDLO C=C[C@@H](C)Oc1[nH]c2ccc(C#N)cc2c1-c1ccc(C[NH+]2CCOCC2)cn1 ZINC001229569773 1033563151 /nfs/dbraw/zinc/56/31/51/1033563151.db2.gz YOAOODAEYLGRJD-MRXNPFEDSA-N 1 2 388.471 3.887 20 30 GHEDLO Cc1nc(OC2CCC3(CC2)OCCO3)c(C#N)cc1-c1ccc2[nH+]ccn2c1 ZINC001229765165 1033696702 /nfs/dbraw/zinc/69/67/02/1033696702.db2.gz ATYOYNJHDDKTLQ-UHFFFAOYSA-N 1 2 390.443 3.641 20 30 GHEDLO C=C[C@]1(C)CC[C@H](C(C)(C)Oc2nc(=O)[nH]c(CN3CCCC3=[NH2+])c2Cl)O1 ZINC001230091751 1033894386 /nfs/dbraw/zinc/89/43/86/1033894386.db2.gz MPHNAXGKQFPYRZ-BFUOFWGJSA-N 1 2 394.903 3.690 20 30 GHEDLO C=C[C@@]1(C)CC[C@@H](Oc2nc(=O)[nH]c(CN3CCCC3=[NH2+])c2Cl)C(C)(C)O1 ZINC001230093616 1033895379 /nfs/dbraw/zinc/89/53/79/1033895379.db2.gz VQWIHRBYYOXUQG-YJYMSZOUSA-N 1 2 394.903 3.690 20 30 GHEDLO N#CC[C@@H](Oc1nc(=O)[nH]c2c1CC[N@H+](Cc1ccccc1)C2)c1ccccc1 ZINC001230188830 1033936652 /nfs/dbraw/zinc/93/66/52/1033936652.db2.gz NTTDEKUKZJRLCK-OAQYLSRUSA-N 1 2 386.455 3.774 20 30 GHEDLO N#CC[C@@H](Oc1nc(=O)[nH]c2c1CC[N@@H+](Cc1ccccc1)C2)c1ccccc1 ZINC001230188830 1033936656 /nfs/dbraw/zinc/93/66/56/1033936656.db2.gz NTTDEKUKZJRLCK-OAQYLSRUSA-N 1 2 386.455 3.774 20 30 GHEDLO COCC[C@H](C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1)NC(=O)OC(C)(C)C ZINC001461879616 1069826259 /nfs/dbraw/zinc/82/62/59/1069826259.db2.gz GUWKVYOIUQWYOE-AQNXPRMDSA-N 1 2 387.524 3.688 20 30 GHEDLO COCC[C@H](C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1)NC(=O)OC(C)(C)C ZINC001461879616 1069826281 /nfs/dbraw/zinc/82/62/81/1069826281.db2.gz GUWKVYOIUQWYOE-AQNXPRMDSA-N 1 2 387.524 3.688 20 30 GHEDLO N#Cc1c(Br)cccc1OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001230323930 1033996584 /nfs/dbraw/zinc/99/65/84/1033996584.db2.gz ZPVKKNWFTOPKCD-MRXNPFEDSA-N 1 2 387.277 3.601 20 30 GHEDLO N#Cc1c(Br)cccc1OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001230323930 1033996588 /nfs/dbraw/zinc/99/65/88/1033996588.db2.gz ZPVKKNWFTOPKCD-MRXNPFEDSA-N 1 2 387.277 3.601 20 30 GHEDLO COC(=O)c1c[nH]c2nc[nH+]c(N(C3=CC(=O)CCC3)[C@H](C)c3ccccc3)c12 ZINC001158794779 1034274507 /nfs/dbraw/zinc/27/45/07/1034274507.db2.gz QVPOOQIGLZAKLC-CQSZACIVSA-N 1 2 390.443 3.949 20 30 GHEDLO C#CCOc1cccc(Cl)c1C[NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC001207393856 1034339018 /nfs/dbraw/zinc/33/90/18/1034339018.db2.gz QSLPCNTZORDQMA-GOSISDBHSA-N 1 2 389.282 3.901 20 30 GHEDLO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1cc(Br)ncc1F)C2 ZINC001231916998 1034989461 /nfs/dbraw/zinc/98/94/61/1034989461.db2.gz UTKAKQRMXRPFPY-SJLPKXTDSA-N 1 2 399.304 3.557 20 30 GHEDLO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1cc(Br)ncc1F)C2 ZINC001231916998 1034989467 /nfs/dbraw/zinc/98/94/67/1034989467.db2.gz UTKAKQRMXRPFPY-SJLPKXTDSA-N 1 2 399.304 3.557 20 30 GHEDLO CC(C)(C)OC(=O)Nc1ncccc1C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC001232543035 1038308778 /nfs/dbraw/zinc/30/87/78/1038308778.db2.gz ULLFJIAZJJQQIB-UHFFFAOYSA-N 1 2 393.491 3.622 20 30 GHEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001232607623 1038391686 /nfs/dbraw/zinc/39/16/86/1038391686.db2.gz MBGBEHPXSRABNI-FCHUYYIVSA-N 1 2 397.906 3.947 20 30 GHEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001232607623 1038391699 /nfs/dbraw/zinc/39/16/99/1038391699.db2.gz MBGBEHPXSRABNI-FCHUYYIVSA-N 1 2 397.906 3.947 20 30 GHEDLO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3c(Cl)ccnc3F)CC2)C1 ZINC001232615639 1038402883 /nfs/dbraw/zinc/40/28/83/1038402883.db2.gz OTGYLBIJXIQJRF-UHFFFAOYSA-N 1 2 381.879 3.875 20 30 GHEDLO C#C[C@H]([NH2+]Cc1cc(OC)ccc1OCOC)c1ccc(Br)cc1 ZINC001462276219 1070138169 /nfs/dbraw/zinc/13/81/69/1070138169.db2.gz HFBYWGOHDDQEDR-SFHVURJKSA-N 1 2 390.277 3.905 20 30 GHEDLO C=CCOC[C@@H]1C[N@H+](Cc2cccc3ncsc32)Cc2nnn(CC3CC3)c21 ZINC001232731162 1038523208 /nfs/dbraw/zinc/52/32/08/1038523208.db2.gz QMONKKROGPQBOD-KRWDZBQOSA-N 1 2 395.532 3.600 20 30 GHEDLO C=CCOC[C@@H]1C[N@@H+](Cc2cccc3ncsc32)Cc2nnn(CC3CC3)c21 ZINC001232731162 1038523218 /nfs/dbraw/zinc/52/32/18/1038523218.db2.gz QMONKKROGPQBOD-KRWDZBQOSA-N 1 2 395.532 3.600 20 30 GHEDLO Cc1ccc2c(n1)N(Cc1ccncc1)CC[N@@H+](Cc1ccc(C#N)s1)C2 ZINC001232842368 1038592200 /nfs/dbraw/zinc/59/22/00/1038592200.db2.gz AQJWAPNVYLHCPB-UHFFFAOYSA-N 1 2 375.501 3.741 20 30 GHEDLO Cc1ccc2c(n1)N(Cc1ccncc1)CC[N@H+](Cc1ccc(C#N)s1)C2 ZINC001232842368 1038592203 /nfs/dbraw/zinc/59/22/03/1038592203.db2.gz AQJWAPNVYLHCPB-UHFFFAOYSA-N 1 2 375.501 3.741 20 30 GHEDLO COc1cc(Br)cn2ncc(C[N@H+](CCC#N)C3CCCC3)c12 ZINC001233024773 1038776858 /nfs/dbraw/zinc/77/68/58/1038776858.db2.gz UBGJYUPXSRRMTQ-UHFFFAOYSA-N 1 2 377.286 3.764 20 30 GHEDLO COc1cc(Br)cn2ncc(C[N@@H+](CCC#N)C3CCCC3)c12 ZINC001233024773 1038776868 /nfs/dbraw/zinc/77/68/68/1038776868.db2.gz UBGJYUPXSRRMTQ-UHFFFAOYSA-N 1 2 377.286 3.764 20 30 GHEDLO COc1cc2c(cc1OC)C(=O)[C@H](CC1CC[NH+](Cc3[nH]ccc3C#N)CC1)C2 ZINC001233046868 1038804311 /nfs/dbraw/zinc/80/43/11/1038804311.db2.gz KEYMXMZJQSCLEC-GOSISDBHSA-N 1 2 393.487 3.561 20 30 GHEDLO C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@@H+]1Cc1ccc(N(C)C)c(C#N)c1F ZINC001233098805 1038875858 /nfs/dbraw/zinc/87/58/58/1038875858.db2.gz ODHZDMFTCJUERX-HNNXBMFYSA-N 1 2 390.503 3.595 20 30 GHEDLO C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@H+]1Cc1ccc(N(C)C)c(C#N)c1F ZINC001233098805 1038875884 /nfs/dbraw/zinc/87/58/84/1038875884.db2.gz ODHZDMFTCJUERX-HNNXBMFYSA-N 1 2 390.503 3.595 20 30 GHEDLO C[C@@H](Oc1ccc(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1)[C@H](C)S ZINC001234063196 1039795602 /nfs/dbraw/zinc/79/56/02/1039795602.db2.gz SGGOFROJXDWUQH-CVEARBPZSA-N 1 2 380.554 3.825 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC2(CC[C@H]([N@@H+]3CC[C@@H]4SC(=O)C=C4C3)C2)CC1 ZINC001254748218 1040508268 /nfs/dbraw/zinc/50/82/68/1040508268.db2.gz HKVOMROKUGPSJD-IRXDYDNUSA-N 1 2 392.565 3.830 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC2(CC[C@H]([N@H+]3CC[C@@H]4SC(=O)C=C4C3)C2)CC1 ZINC001254748218 1040508285 /nfs/dbraw/zinc/50/82/85/1040508285.db2.gz HKVOMROKUGPSJD-IRXDYDNUSA-N 1 2 392.565 3.830 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3c(F)cc(C#N)cc3F)CC[C@H]21 ZINC001235653170 1041098316 /nfs/dbraw/zinc/09/83/16/1041098316.db2.gz FESOKJLESGSUIR-KBXCAEBGSA-N 1 2 377.435 3.668 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3c(F)cc(C#N)cc3F)CC[C@H]21 ZINC001235653170 1041098331 /nfs/dbraw/zinc/09/83/31/1041098331.db2.gz FESOKJLESGSUIR-KBXCAEBGSA-N 1 2 377.435 3.668 20 30 GHEDLO C=CCOCc1ncn2c1C[N@H+](Cc1c(O)cccc1OC(F)(F)F)CCC2 ZINC001237118171 1042047666 /nfs/dbraw/zinc/04/76/66/1042047666.db2.gz VVAXEHRBKDXFIH-UHFFFAOYSA-N 1 2 397.397 3.596 20 30 GHEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1c(O)cccc1OC(F)(F)F)CCC2 ZINC001237118171 1042047670 /nfs/dbraw/zinc/04/76/70/1042047670.db2.gz VVAXEHRBKDXFIH-UHFFFAOYSA-N 1 2 397.397 3.596 20 30 GHEDLO N#Cc1ccc2nc(C[NH+]3CCC(C(=O)c4ccc(Cl)cc4)CC3)cn2c1 ZINC001237613740 1042281880 /nfs/dbraw/zinc/28/18/80/1042281880.db2.gz IRNFGBUTWGAMER-UHFFFAOYSA-N 1 2 378.863 3.954 20 30 GHEDLO CC(C)(C)OC(=O)NC1CCC2(CC1)C[N@H+](CC#Cc1ccccc1)CCO2 ZINC001462612337 1070413794 /nfs/dbraw/zinc/41/37/94/1070413794.db2.gz NASGURULEOQBCI-UHFFFAOYSA-N 1 2 384.520 3.576 20 30 GHEDLO CC(C)(C)OC(=O)NC1CCC2(CC1)C[N@@H+](CC#Cc1ccccc1)CCO2 ZINC001462612337 1070413795 /nfs/dbraw/zinc/41/37/95/1070413795.db2.gz NASGURULEOQBCI-UHFFFAOYSA-N 1 2 384.520 3.576 20 30 GHEDLO COc1cccc(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)c1Br ZINC001237861766 1042399065 /nfs/dbraw/zinc/39/90/65/1042399065.db2.gz MAUASXVEUDKQHZ-UHFFFAOYSA-N 1 2 386.293 3.652 20 30 GHEDLO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cc(Cl)c(O)cc3F)C2)C1 ZINC001238143997 1042502926 /nfs/dbraw/zinc/50/29/26/1042502926.db2.gz SBEUXQATHIJBJV-LJQANCHMSA-N 1 2 382.863 3.795 20 30 GHEDLO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](Cc3cc(Cl)c(O)cc3F)C2)C1 ZINC001238143997 1042502929 /nfs/dbraw/zinc/50/29/29/1042502929.db2.gz SBEUXQATHIJBJV-LJQANCHMSA-N 1 2 382.863 3.795 20 30 GHEDLO COCCOc1ccccc1N1CC[NH+](Cc2ccc(Cl)c(C#N)c2)CC1 ZINC001238196448 1042516295 /nfs/dbraw/zinc/51/62/95/1042516295.db2.gz RVQBURWTLPHIHO-UHFFFAOYSA-N 1 2 385.895 3.559 20 30 GHEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC001238369928 1042572822 /nfs/dbraw/zinc/57/28/22/1042572822.db2.gz CUIXBKMJQRAZRU-FQEVSTJZSA-N 1 2 381.476 3.537 20 30 GHEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC001238369928 1042572824 /nfs/dbraw/zinc/57/28/24/1042572824.db2.gz CUIXBKMJQRAZRU-FQEVSTJZSA-N 1 2 381.476 3.537 20 30 GHEDLO C=CC1(CC(=O)Nc2cccc(-n3cc[nH+]c3)c2)CN(C(=O)OC(C)(C)C)C1 ZINC001291585911 1043351862 /nfs/dbraw/zinc/35/18/62/1043351862.db2.gz MGNUUNQYOQELQS-UHFFFAOYSA-N 1 2 382.464 3.624 20 30 GHEDLO C=C[C@@H]1C[C@]1([NH2+][C@@H]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1)C(=O)OCC ZINC001257801577 1044184499 /nfs/dbraw/zinc/18/44/99/1044184499.db2.gz XDABKMSXXUCMRI-XWOARTFESA-N 1 2 392.540 3.654 20 30 GHEDLO CCCCCCCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001298908509 1045983254 /nfs/dbraw/zinc/98/32/54/1045983254.db2.gz MHVVENAZEMHFBD-IBGZPJMESA-N 1 2 395.588 3.891 20 30 GHEDLO C#C[C@@H]1CCCCN1c1nnc([C@@H](CC(C)C)n2cc[nH+]c2)n1CCCOCC ZINC001263365445 1046751107 /nfs/dbraw/zinc/75/11/07/1046751107.db2.gz OTNYIUJMRYYABW-WOJBJXKFSA-N 1 2 398.555 3.529 20 30 GHEDLO CC(C)C[C@H](c1nnc(N(C)[C@@H]2CCC[C@H]2C#N)n1CC(C)C)n1cc[nH+]c1 ZINC001263412988 1046795387 /nfs/dbraw/zinc/79/53/87/1046795387.db2.gz NPNQTQHTRZVWBV-IPMKNSEASA-N 1 2 383.544 3.895 20 30 GHEDLO C=CCC1(C(=O)N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)CCC1 ZINC001264401237 1047340449 /nfs/dbraw/zinc/34/04/49/1047340449.db2.gz LOCHDLAGBRSTOA-UHFFFAOYSA-N 1 2 382.426 3.976 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2C[C@@H](c2ccccc2)C2CC2)CC1 ZINC001286471229 1048336383 /nfs/dbraw/zinc/33/63/83/1048336383.db2.gz HTLFBSMMIKREIH-KNQAVFIVSA-N 1 2 391.563 3.741 20 30 GHEDLO C=C1CCN(c2nnc(CC)n2C[C@@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC001286646834 1048413966 /nfs/dbraw/zinc/41/39/66/1048413966.db2.gz WDDHRWSIUNWTBY-KRWDZBQOSA-N 1 2 375.467 3.578 20 30 GHEDLO C=CCCCn1c(C(C)C)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001286693658 1048454174 /nfs/dbraw/zinc/45/41/74/1048454174.db2.gz XCYRMBQNJJETFT-UHFFFAOYSA-N 1 2 397.571 3.916 20 30 GHEDLO C=CCN(C)c1nnc(Cc2ccsc2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001286730712 1048488646 /nfs/dbraw/zinc/48/86/46/1048488646.db2.gz ZSUWRCYUGYFXIW-UHFFFAOYSA-N 1 2 394.548 3.596 20 30 GHEDLO C=CCN(CC=C)c1nnc(-c2ccc[nH]2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001286755070 1048508213 /nfs/dbraw/zinc/50/82/13/1048508213.db2.gz LKKJEJBBAVPKAO-UHFFFAOYSA-N 1 2 385.475 3.686 20 30 GHEDLO C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCCc2cccc(C)[nH+]2)C1 ZINC001286806527 1048532651 /nfs/dbraw/zinc/53/26/51/1048532651.db2.gz DBFZJRHCCUPYDH-FQEVSTJZSA-N 1 2 397.567 3.984 20 30 GHEDLO O=C(C#Cc1ccc(C(F)(F)F)cc1)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001288268195 1049023169 /nfs/dbraw/zinc/02/31/69/1049023169.db2.gz WNPCJFPPQZJCKL-IBGZPJMESA-N 1 2 383.373 3.811 20 30 GHEDLO COCC[N@H+](Cc1coc(-c2cccc(OC)c2)n1)Cc1ccc(C#N)cc1 ZINC001307454565 1049291431 /nfs/dbraw/zinc/29/14/31/1049291431.db2.gz XJKHJGAOKNVEIR-UHFFFAOYSA-N 1 2 377.444 3.870 20 30 GHEDLO COCC[N@@H+](Cc1coc(-c2cccc(OC)c2)n1)Cc1ccc(C#N)cc1 ZINC001307454565 1049291442 /nfs/dbraw/zinc/29/14/42/1049291442.db2.gz XJKHJGAOKNVEIR-UHFFFAOYSA-N 1 2 377.444 3.870 20 30 GHEDLO CC#CC[N@H+](C)[C@H](C)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC001307807474 1049606258 /nfs/dbraw/zinc/60/62/58/1049606258.db2.gz RBOOOAUYXRTORE-DNVCBOLYSA-N 1 2 383.879 3.954 20 30 GHEDLO CC#CC[N@@H+](C)[C@H](C)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC001307807474 1049606262 /nfs/dbraw/zinc/60/62/62/1049606262.db2.gz RBOOOAUYXRTORE-DNVCBOLYSA-N 1 2 383.879 3.954 20 30 GHEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CCc4cc(C(F)(F)F)ccc4C3)C2=O)cc1 ZINC001307984943 1049740268 /nfs/dbraw/zinc/74/02/68/1049740268.db2.gz ZZOGQJZCMPLOPE-IBGZPJMESA-N 1 2 385.389 3.741 20 30 GHEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCc4cc(C(F)(F)F)ccc4C3)C2=O)cc1 ZINC001307984943 1049740270 /nfs/dbraw/zinc/74/02/70/1049740270.db2.gz ZZOGQJZCMPLOPE-IBGZPJMESA-N 1 2 385.389 3.741 20 30 GHEDLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC001307987495 1049741923 /nfs/dbraw/zinc/74/19/23/1049741923.db2.gz NPZZVFSBTIIRGW-SWLSCSKDSA-N 1 2 381.423 3.647 20 30 GHEDLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC001307987495 1049741925 /nfs/dbraw/zinc/74/19/25/1049741925.db2.gz NPZZVFSBTIIRGW-SWLSCSKDSA-N 1 2 381.423 3.647 20 30 GHEDLO CC(C)(C)c1nnc(NC(=O)C[NH+]2CCC(c3ccc(C#N)cc3)CC2)s1 ZINC001308115505 1049860616 /nfs/dbraw/zinc/86/06/16/1049860616.db2.gz ZIEFGLUCQKQOEO-UHFFFAOYSA-N 1 2 383.521 3.525 20 30 GHEDLO N#Cc1c(NC(=O)C[N@@H+]2CCCC[C@H]2[C@H]2CCCO2)sc2c1CCCCC2 ZINC001308162588 1049894525 /nfs/dbraw/zinc/89/45/25/1049894525.db2.gz VUCCPDMODVFSOB-ZWKOTPCHSA-N 1 2 387.549 3.861 20 30 GHEDLO N#Cc1c(NC(=O)C[N@H+]2CCCC[C@H]2[C@H]2CCCO2)sc2c1CCCCC2 ZINC001308162588 1049894530 /nfs/dbraw/zinc/89/45/30/1049894530.db2.gz VUCCPDMODVFSOB-ZWKOTPCHSA-N 1 2 387.549 3.861 20 30 GHEDLO C#CCOc1cccc(Cl)c1C[NH2+]Cc1cc(Br)cnc1OC ZINC001308466726 1049982711 /nfs/dbraw/zinc/98/27/11/1049982711.db2.gz NBSYJCWKLWJQBE-UHFFFAOYSA-N 1 2 395.684 3.808 20 30 GHEDLO CN(C)c1ccc(C#N)cc1C[N@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC001308566954 1050012724 /nfs/dbraw/zinc/01/27/24/1050012724.db2.gz YXUUHRPDZDIBDZ-FQEVSTJZSA-N 1 2 382.895 3.515 20 30 GHEDLO CN(C)c1ccc(C#N)cc1C[N@@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC001308566954 1050012726 /nfs/dbraw/zinc/01/27/26/1050012726.db2.gz YXUUHRPDZDIBDZ-FQEVSTJZSA-N 1 2 382.895 3.515 20 30 GHEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC001308630730 1050040375 /nfs/dbraw/zinc/04/03/75/1050040375.db2.gz DNCUYXHDDFYIDP-UHFFFAOYSA-N 1 2 379.464 3.883 20 30 GHEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC001308630730 1050040379 /nfs/dbraw/zinc/04/03/79/1050040379.db2.gz DNCUYXHDDFYIDP-UHFFFAOYSA-N 1 2 379.464 3.883 20 30 GHEDLO C=C(C)CN(CC)C(=O)[C@H](C)SCc1cccc(C[NH+]2CCOCC2)c1 ZINC001327582452 1050223914 /nfs/dbraw/zinc/22/39/14/1050223914.db2.gz CPGPQEDVLOOYLC-SFHVURJKSA-N 1 2 376.566 3.565 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@H](Nc2ccccc2)C1 ZINC001339528340 1050897058 /nfs/dbraw/zinc/89/70/58/1050897058.db2.gz IWDNLYWNPNTOMT-WOJBJXKFSA-N 1 2 380.540 3.702 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@H](Nc2ccccc2)C1 ZINC001339528340 1050897071 /nfs/dbraw/zinc/89/70/71/1050897071.db2.gz IWDNLYWNPNTOMT-WOJBJXKFSA-N 1 2 380.540 3.702 20 30 GHEDLO C#CCN(Cc1ncc(C2CC2)o1)C1CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC001330708319 1051078057 /nfs/dbraw/zinc/07/80/57/1051078057.db2.gz NKFNTGOPIUZRCD-UHFFFAOYSA-N 1 2 380.492 3.517 20 30 GHEDLO C#CC[N@H+](Cc1ncc(C2CC2)o1)C1CCN(Cc2ncc(C3CC3)o2)CC1 ZINC001330708319 1051078072 /nfs/dbraw/zinc/07/80/72/1051078072.db2.gz NKFNTGOPIUZRCD-UHFFFAOYSA-N 1 2 380.492 3.517 20 30 GHEDLO C#CC[N@@H+](Cc1ncc(C2CC2)o1)C1CCN(Cc2ncc(C3CC3)o2)CC1 ZINC001330708319 1051078082 /nfs/dbraw/zinc/07/80/82/1051078082.db2.gz NKFNTGOPIUZRCD-UHFFFAOYSA-N 1 2 380.492 3.517 20 30 GHEDLO C#C[C@H](NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)c1ccc(F)cc1 ZINC001312935253 1052915388 /nfs/dbraw/zinc/91/53/88/1052915388.db2.gz YWZFPEDYKCXPQO-FKBYEOEOSA-N 1 2 388.446 3.925 20 30 GHEDLO C=C(C)Cn1c(C2CCSCC2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001342368428 1053132415 /nfs/dbraw/zinc/13/24/15/1053132415.db2.gz OCARASOFZKZWBI-UHFFFAOYSA-N 1 2 398.580 3.941 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC2(CCC2)OC[C@@H]1C ZINC001343495602 1053812184 /nfs/dbraw/zinc/81/21/84/1053812184.db2.gz QYUZBWRDZLRFAZ-RBUKOAKNSA-N 1 2 398.555 3.834 20 30 GHEDLO C=C(C)CN(CC)c1nnc([C@@H]2C[N@@H+](C(C)C)CCO2)n1Cc1cccs1 ZINC001343650762 1053948815 /nfs/dbraw/zinc/94/88/15/1053948815.db2.gz IZMUIFBSGBQIDU-SFHVURJKSA-N 1 2 389.569 3.572 20 30 GHEDLO C=C(C)CN(CC)c1nnc([C@@H]2C[N@H+](C(C)C)CCO2)n1Cc1cccs1 ZINC001343650762 1053948817 /nfs/dbraw/zinc/94/88/17/1053948817.db2.gz IZMUIFBSGBQIDU-SFHVURJKSA-N 1 2 389.569 3.572 20 30 GHEDLO C#CCOCC[N@@H+](C)CC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl ZINC001319773102 1055458774 /nfs/dbraw/zinc/45/87/74/1055458774.db2.gz LFIIIIMROSNCQG-UHFFFAOYSA-N 1 2 384.090 3.820 20 30 GHEDLO C#CCOCC[N@H+](C)CC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl ZINC001319773102 1055458778 /nfs/dbraw/zinc/45/87/78/1055458778.db2.gz LFIIIIMROSNCQG-UHFFFAOYSA-N 1 2 384.090 3.820 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2Cc2ccc3sccc3c2)CC1 ZINC001300682358 1056859631 /nfs/dbraw/zinc/85/96/31/1056859631.db2.gz KPDHRIRWCQZTQQ-UHFFFAOYSA-N 1 2 393.560 3.594 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCCC1=NNCCCn1cc[nH+]c1 ZINC000848417047 1057075300 /nfs/dbraw/zinc/07/53/00/1057075300.db2.gz IXFFWAADAKNKHO-MJGOQNOKSA-N 1 2 389.544 3.809 20 30 GHEDLO Cn1c([C@H]2CCCC[N@@H+]2Cc2ccccc2)nnc1N1Cc2cccc(C#N)c2C1 ZINC001338394820 1058546530 /nfs/dbraw/zinc/54/65/30/1058546530.db2.gz NGNNIKMIOWXTLS-JOCHJYFZSA-N 1 2 398.514 3.934 20 30 GHEDLO Cn1c([C@H]2CCCC[N@H+]2Cc2ccccc2)nnc1N1Cc2cccc(C#N)c2C1 ZINC001338394820 1058546547 /nfs/dbraw/zinc/54/65/47/1058546547.db2.gz NGNNIKMIOWXTLS-JOCHJYFZSA-N 1 2 398.514 3.934 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1Cc2ccc(O)cc2C1 ZINC001339023824 1058928336 /nfs/dbraw/zinc/92/83/36/1058928336.db2.gz QJEWJULWCJOHMH-LJQANCHMSA-N 1 2 378.480 3.522 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@@H+]2Cc2ccccc2)nnc1N1CC[C@H](COC)C1 ZINC001339055721 1058941399 /nfs/dbraw/zinc/94/13/99/1058941399.db2.gz GAKKUSPWXSJJIW-LEWJYISDSA-N 1 2 395.551 3.664 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@H+]2Cc2ccccc2)nnc1N1CC[C@H](COC)C1 ZINC001339055721 1058941400 /nfs/dbraw/zinc/94/14/00/1058941400.db2.gz GAKKUSPWXSJJIW-LEWJYISDSA-N 1 2 395.551 3.664 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2Cc2ccccc2)nnc1N1CC[C@@H](C)[C@H]1C ZINC001339091459 1058956399 /nfs/dbraw/zinc/95/63/99/1058956399.db2.gz UQBXZQDXSKNGHF-QZTJIDSGSA-N 1 2 376.508 3.534 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)[C@H](C)c1ccccc1 ZINC001339108741 1058963327 /nfs/dbraw/zinc/96/33/27/1058963327.db2.gz GMEYASANHHDCBX-GOSISDBHSA-N 1 2 378.524 3.755 20 30 GHEDLO CN(Cc1csc2ccccc12)c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001339750899 1059438194 /nfs/dbraw/zinc/43/81/94/1059438194.db2.gz UFADGSYRKDYVBZ-UHFFFAOYSA-N 1 2 394.548 3.759 20 30 GHEDLO CN(c1nnc([C@H]2CCCC[N@@H+]2C)n1Cc1ccccc1)[C@@H]1CCC[C@@H]1C#N ZINC001340515129 1059959213 /nfs/dbraw/zinc/95/92/13/1059959213.db2.gz WONWJYPOYYUDLP-VAMGGRTRSA-N 1 2 378.524 3.612 20 30 GHEDLO CN(c1nnc([C@H]2CCCC[N@H+]2C)n1Cc1ccccc1)[C@@H]1CCC[C@@H]1C#N ZINC001340515129 1059959217 /nfs/dbraw/zinc/95/92/17/1059959217.db2.gz WONWJYPOYYUDLP-VAMGGRTRSA-N 1 2 378.524 3.612 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)Cc1ccc2cc[nH]c2c1 ZINC001340908718 1060238996 /nfs/dbraw/zinc/23/89/96/1060238996.db2.gz ALINQZCUKQVVAC-UHFFFAOYSA-N 1 2 391.523 3.509 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1Cc2ccc(O)cc2C1 ZINC001341932309 1060957005 /nfs/dbraw/zinc/95/70/05/1060957005.db2.gz VUIMBVLVAJXLBI-HXUWFJFHSA-N 1 2 392.507 3.912 20 30 GHEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC[C@H]1c1cccc(F)c1 ZINC001342022071 1061002053 /nfs/dbraw/zinc/00/20/53/1061002053.db2.gz XTEHITUSWIPEOZ-PMACEKPBSA-N 1 2 399.514 3.726 20 30 GHEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC[C@H]1c1cccc(F)c1 ZINC001342022071 1061002072 /nfs/dbraw/zinc/00/20/72/1061002072.db2.gz XTEHITUSWIPEOZ-PMACEKPBSA-N 1 2 399.514 3.726 20 30 GHEDLO CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC[N@@H+]2C)n1Cc1cccs1 ZINC001345968974 1061251249 /nfs/dbraw/zinc/25/12/49/1061251249.db2.gz FARZKJIFNIWHFF-LJQANCHMSA-N 1 2 392.532 3.663 20 30 GHEDLO CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC[N@H+]2C)n1Cc1cccs1 ZINC001345968974 1061251271 /nfs/dbraw/zinc/25/12/71/1061251271.db2.gz FARZKJIFNIWHFF-LJQANCHMSA-N 1 2 392.532 3.663 20 30 GHEDLO Cc1cn2c([nH+]1)[C@H](Cn1c(CC(C)(C)C)nnc1N(C)C[C@@H](C)C#N)CCC2 ZINC001492628438 1061830316 /nfs/dbraw/zinc/83/03/16/1061830316.db2.gz FWTXBUFJTJDPQH-RDJZCZTQSA-N 1 2 383.544 3.545 20 30 GHEDLO O=C(N[C@H]1CCC[N@@H+](CCF)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001457892983 1063426053 /nfs/dbraw/zinc/42/60/53/1063426053.db2.gz HQRXNRFEEHMVOU-ZDUSSCGKSA-N 1 2 386.311 3.888 20 30 GHEDLO O=C(N[C@H]1CCC[N@H+](CCF)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001457892983 1063426066 /nfs/dbraw/zinc/42/60/66/1063426066.db2.gz HQRXNRFEEHMVOU-ZDUSSCGKSA-N 1 2 386.311 3.888 20 30 GHEDLO C#CC[C@H]1CCCN(c2nnc([C@@H](CC(C)C)n3cc[nH+]c3)n2CC2CC2)C1 ZINC001350438148 1064085467 /nfs/dbraw/zinc/08/54/67/1064085467.db2.gz SVOOSCHGLKWSBC-AZUAARDMSA-N 1 2 380.540 3.760 20 30 GHEDLO C[C@@H](c1nc2ccccc2s1)[N@H+](C)CC#CCN1C(=O)c2ccccc2C1=O ZINC001459721187 1064186611 /nfs/dbraw/zinc/18/66/11/1064186611.db2.gz WHWAVTGQDJPHIV-HNNXBMFYSA-N 1 2 389.480 3.589 20 30 GHEDLO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)CC#CCN1C(=O)c2ccccc2C1=O ZINC001459721187 1064186616 /nfs/dbraw/zinc/18/66/16/1064186616.db2.gz WHWAVTGQDJPHIV-HNNXBMFYSA-N 1 2 389.480 3.589 20 30 GHEDLO C=CCn1c([C@H](C)CCC#N)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001351563343 1064515807 /nfs/dbraw/zinc/51/58/07/1064515807.db2.gz WTBVDEZVMZDAHJ-QGZVFWFLSA-N 1 2 398.942 3.847 20 30 GHEDLO O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cc(-n2cc[nH+]c2)ccc1O ZINC001463900386 1064704984 /nfs/dbraw/zinc/70/49/84/1064704984.db2.gz WVWHWEIHCZWNLB-UHFFFAOYSA-N 1 2 380.407 3.625 20 30 GHEDLO N#C[C@@H](NC(=O)c1cc(-n2cc[nH+]c2)ccc1O)c1ccc(Cl)c(Cl)c1 ZINC001464922136 1065274092 /nfs/dbraw/zinc/27/40/92/1065274092.db2.gz BMFMUWRSOABGAS-MRXNPFEDSA-N 1 2 387.226 3.879 20 30 GHEDLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(C(=O)NCc2ccc(OCC#N)cc2)C1 ZINC001353248464 1065801347 /nfs/dbraw/zinc/80/13/47/1065801347.db2.gz GZIGPDPCBYDKAT-GOSISDBHSA-N 1 2 395.507 3.630 20 30 GHEDLO N#Cc1csc(C[NH2+]Cc2c(Br)cncc2Br)c1 ZINC001474153883 1067587702 /nfs/dbraw/zinc/58/77/02/1067587702.db2.gz HWEXLWGIUQPUMU-UHFFFAOYSA-N 1 2 387.100 3.830 20 30 GHEDLO C=CC1CCN(c2nnc([C@H]3CCCCO3)n2CCCNc2cccc[nH+]2)CC1 ZINC001359178054 1067737573 /nfs/dbraw/zinc/73/75/73/1067737573.db2.gz HWHMQPCGAKZIAY-LJQANCHMSA-N 1 2 396.539 3.819 20 30 GHEDLO COc1ccc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2cnn(CC(C)C)c2)cc1C#N ZINC000849478896 1067860169 /nfs/dbraw/zinc/86/01/69/1067860169.db2.gz KUPRTUXZXLBDTG-JOCHJYFZSA-N 1 2 394.519 3.773 20 30 GHEDLO COc1ccc(C[N@H+]2CC3(CCOCC3)[C@H]2c2cnn(CC(C)C)c2)cc1C#N ZINC000849478896 1067860173 /nfs/dbraw/zinc/86/01/73/1067860173.db2.gz KUPRTUXZXLBDTG-JOCHJYFZSA-N 1 2 394.519 3.773 20 30 GHEDLO COc1cc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2cnn(CC(C)C)c2)ccc1C#N ZINC000849481029 1067861987 /nfs/dbraw/zinc/86/19/87/1067861987.db2.gz KLSPJWOLTFHSOP-JOCHJYFZSA-N 1 2 394.519 3.773 20 30 GHEDLO COc1cc(C[N@H+]2CC3(CCOCC3)[C@H]2c2cnn(CC(C)C)c2)ccc1C#N ZINC000849481029 1067861988 /nfs/dbraw/zinc/86/19/88/1067861988.db2.gz KLSPJWOLTFHSOP-JOCHJYFZSA-N 1 2 394.519 3.773 20 30 GHEDLO C=CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(N(CC)CC)[nH+]c1)C1CC1 ZINC001359253775 1067908455 /nfs/dbraw/zinc/90/84/55/1067908455.db2.gz UGCRVAICDQURJT-LJQANCHMSA-N 1 2 396.539 3.574 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(c3nc4c(s3)CCC4)CC2)c(C#N)c1C ZINC001460883953 1069252391 /nfs/dbraw/zinc/25/23/91/1069252391.db2.gz BMDKJFYLKYFQCP-CYBMUJFWSA-N 1 2 398.532 3.920 20 30 GHEDLO CC(C)[N@H+](CCC#N)Cc1ccc(N2CCC[C@@H](C(=O)OC(C)(C)C)C2)o1 ZINC001474337358 1074350621 /nfs/dbraw/zinc/35/06/21/1074350621.db2.gz XNQQWRYDBDFKSM-QGZVFWFLSA-N 1 2 375.513 3.962 20 30 GHEDLO CC(C)[N@@H+](CCC#N)Cc1ccc(N2CCC[C@@H](C(=O)OC(C)(C)C)C2)o1 ZINC001474337358 1074350630 /nfs/dbraw/zinc/35/06/30/1074350630.db2.gz XNQQWRYDBDFKSM-QGZVFWFLSA-N 1 2 375.513 3.962 20 30 GHEDLO COC(=O)c1cc(Br)oc1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC001474584542 1074471799 /nfs/dbraw/zinc/47/17/99/1074471799.db2.gz BXEINKQGDNPZBF-HNNXBMFYSA-N 1 2 389.249 3.868 20 30 GHEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000329227930 834587929 /nfs/dbraw/zinc/58/79/29/834587929.db2.gz BKPJDEHRPATMJB-UHFFFAOYSA-N 1 2 395.507 3.676 20 30 GHEDLO CC(C)N1C(=O)C[C@H]([NH2+]C[C@@H](C#N)CCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000611912886 834951173 /nfs/dbraw/zinc/95/11/73/834951173.db2.gz POFAEZJFAOCPRD-XVGQJIODSA-N 1 2 376.863 3.563 20 30 GHEDLO CN(C)C(=O)Sc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)cc1 ZINC000176909546 835082931 /nfs/dbraw/zinc/08/29/31/835082931.db2.gz SHJFSVASKHEHLF-UHFFFAOYSA-N 1 2 398.507 3.793 20 30 GHEDLO CC(C)(C)c1ccc(C#N)c(NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)n1 ZINC000613410308 836316350 /nfs/dbraw/zinc/31/63/50/836316350.db2.gz DXHSCOUEARABOI-UHFFFAOYSA-N 1 2 391.519 3.766 20 30 GHEDLO N#CCCNC(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000426438093 844168184 /nfs/dbraw/zinc/16/81/84/844168184.db2.gz AZSLRDHQNWAQQR-HXUWFJFHSA-N 1 2 382.895 3.670 20 30 GHEDLO CCOC(=O)[C@@]12Cc3ccccc3[C@@H](CN(c3ccc(CC#N)c(C)[nH+]3)C1)C2 ZINC001167203582 836893551 /nfs/dbraw/zinc/89/35/51/836893551.db2.gz VIUFPNOLENQTRX-AUSIDOKSSA-N 1 2 375.472 3.556 20 30 GHEDLO COc1ccccc1[C@H]1CC[C@@H](C)C[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000510238972 836920513 /nfs/dbraw/zinc/92/05/13/836920513.db2.gz JFWRJKKMPZMSKR-DYESRHJHSA-N 1 2 398.528 3.814 20 30 GHEDLO COc1ccccc1[C@H]1CC[C@@H](C)C[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000510238972 836920527 /nfs/dbraw/zinc/92/05/27/836920527.db2.gz JFWRJKKMPZMSKR-DYESRHJHSA-N 1 2 398.528 3.814 20 30 GHEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3coc(-c4c(F)cccc4F)n3)C2)nc1 ZINC000580028283 837204920 /nfs/dbraw/zinc/20/49/20/837204920.db2.gz DBBDXULGMJQROT-OAHLLOKOSA-N 1 2 382.370 3.540 20 30 GHEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3coc(-c4c(F)cccc4F)n3)C2)nc1 ZINC000580028283 837204929 /nfs/dbraw/zinc/20/49/29/837204929.db2.gz DBBDXULGMJQROT-OAHLLOKOSA-N 1 2 382.370 3.540 20 30 GHEDLO CN(C(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(C)(C)C[NH+]1CCOCC1 ZINC000414054382 837289042 /nfs/dbraw/zinc/28/90/42/837289042.db2.gz UMOAOIDSZSNMNL-UHFFFAOYSA-N 1 2 393.487 3.533 20 30 GHEDLO N#Cc1c(NCc2cccc(OCC[NH+]3CCOCC3)c2)cccc1C(F)F ZINC000580502299 837356475 /nfs/dbraw/zinc/35/64/75/837356475.db2.gz OLJDVAAJTJUFJF-UHFFFAOYSA-N 1 2 387.430 3.819 20 30 GHEDLO N#Cc1ccccc1COc1ccc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000121087388 838337724 /nfs/dbraw/zinc/33/77/24/838337724.db2.gz IXCNQLZYTLCEFH-QHCPKHFHSA-N 1 2 399.450 3.826 20 30 GHEDLO NC(=[NH+]OCc1nc(C(F)(F)F)cs1)c1ccc(Br)cc1 ZINC000782949129 838504542 /nfs/dbraw/zinc/50/45/42/838504542.db2.gz PVQNCNOTKQPHCO-UHFFFAOYSA-N 1 2 380.189 3.762 20 30 GHEDLO C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000783088136 838585734 /nfs/dbraw/zinc/58/57/34/838585734.db2.gz HAKGYQLSQPKDQU-QGZVFWFLSA-N 1 2 381.480 3.898 20 30 GHEDLO N#Cc1ccc(N2CC[C@@H](Nc3cccc4c3CN(c3cccc[nH+]3)C4)C2=O)cc1 ZINC000378292119 838787215 /nfs/dbraw/zinc/78/72/15/838787215.db2.gz STTKZAVDSZPXOV-JOCHJYFZSA-N 1 2 395.466 3.691 20 30 GHEDLO C=CCC(CC=C)C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000545355151 839000285 /nfs/dbraw/zinc/00/02/85/839000285.db2.gz PXWDLHSWCKGDQW-UHFFFAOYSA-N 1 2 376.298 3.832 20 30 GHEDLO CC(C)(C)c1cc(C#N)c(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)s1 ZINC000579684153 839683799 /nfs/dbraw/zinc/68/37/99/839683799.db2.gz GTJOJZJXHYYTHF-QGZVFWFLSA-N 1 2 383.517 3.757 20 30 GHEDLO CC(C)(C)c1cc(C#N)c(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)s1 ZINC000579684153 839683805 /nfs/dbraw/zinc/68/38/05/839683805.db2.gz GTJOJZJXHYYTHF-QGZVFWFLSA-N 1 2 383.517 3.757 20 30 GHEDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2nc3c(cc2C#N)COCC3)CC1 ZINC000580756096 840132132 /nfs/dbraw/zinc/13/21/32/840132132.db2.gz HQALLFMMTACDAM-NRFANRHFSA-N 1 2 398.457 3.577 20 30 GHEDLO COc1ccc(CC(N)=[NH+]OCc2csc(C3CCCC3)n2)cc1OC ZINC000063887631 840614761 /nfs/dbraw/zinc/61/47/61/840614761.db2.gz QXMXGXCCSOUMSE-UHFFFAOYSA-N 1 2 375.494 3.849 20 30 GHEDLO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000124822507 841017553 /nfs/dbraw/zinc/01/75/53/841017553.db2.gz IFLAPRXMVUGVQJ-HNNXBMFYSA-N 1 2 387.534 3.515 20 30 GHEDLO CCC[N@H+]1CCC[C@H]1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000124822507 841017556 /nfs/dbraw/zinc/01/75/56/841017556.db2.gz IFLAPRXMVUGVQJ-HNNXBMFYSA-N 1 2 387.534 3.515 20 30 GHEDLO N#CCCOCCN1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000549531939 841435597 /nfs/dbraw/zinc/43/55/97/841435597.db2.gz LLMNOPXGELHMQA-JOCHJYFZSA-N 1 2 383.923 3.977 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H](c3cccs3)C3CC3)CC2)cc1 ZINC000603802910 861201762 /nfs/dbraw/zinc/20/17/62/861201762.db2.gz ADZAZWZEVXTQDN-HXUWFJFHSA-N 1 2 380.517 3.598 20 30 GHEDLO O=C(NCCc1nc2ccccc2n1C(F)F)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329306669 861267180 /nfs/dbraw/zinc/26/71/80/861267180.db2.gz YSQOAMSETDHIDF-QGZVFWFLSA-N 1 2 392.450 3.574 20 30 GHEDLO O=C(NCCc1nc2ccccc2n1C(F)F)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329306669 861267196 /nfs/dbraw/zinc/26/71/96/861267196.db2.gz YSQOAMSETDHIDF-QGZVFWFLSA-N 1 2 392.450 3.574 20 30 GHEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3csc(-c4ccccc4F)n3)C2)nc1 ZINC000569535669 842210849 /nfs/dbraw/zinc/21/08/49/842210849.db2.gz KFSXJEBTOBOPAB-MRXNPFEDSA-N 1 2 380.448 3.869 20 30 GHEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3csc(-c4ccccc4F)n3)C2)nc1 ZINC000569535669 842210860 /nfs/dbraw/zinc/21/08/60/842210860.db2.gz KFSXJEBTOBOPAB-MRXNPFEDSA-N 1 2 380.448 3.869 20 30 GHEDLO N#Cc1cccc(OC2CC[NH+](Cc3csc(-c4ncccn4)n3)CC2)c1 ZINC000510485423 842486474 /nfs/dbraw/zinc/48/64/74/842486474.db2.gz LOOQTOVQLDEEIM-UHFFFAOYSA-N 1 2 377.473 3.515 20 30 GHEDLO CC1(C)C[C@H](NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c2ccc(F)cc2O1 ZINC000328708737 842941494 /nfs/dbraw/zinc/94/14/94/842941494.db2.gz FQHHYAWYPIDKLP-RDJZCZTQSA-N 1 2 384.455 3.605 20 30 GHEDLO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+]([C@H]2CCCN(c3ccccc3F)C2=O)C1 ZINC000329391390 861367653 /nfs/dbraw/zinc/36/76/53/861367653.db2.gz SSBTXPXSPAIUQG-KXBFYZLASA-N 1 2 399.470 3.532 20 30 GHEDLO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+]([C@H]2CCCN(c3ccccc3F)C2=O)C1 ZINC000329391390 861367669 /nfs/dbraw/zinc/36/76/69/861367669.db2.gz SSBTXPXSPAIUQG-KXBFYZLASA-N 1 2 399.470 3.532 20 30 GHEDLO C=CCSc1nc2ccccc2n1C[NH+]1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000176066496 843109093 /nfs/dbraw/zinc/10/90/93/843109093.db2.gz FGPVFIJYYZMAER-AWEZNQCLSA-N 1 2 384.471 3.840 20 30 GHEDLO COc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)cc1OC(F)F ZINC000512243773 843198403 /nfs/dbraw/zinc/19/84/03/843198403.db2.gz LNPKSGYKJXZILV-UHFFFAOYSA-N 1 2 391.393 3.630 20 30 GHEDLO N#Cc1cc(Cl)ccc1SCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000610655173 843413870 /nfs/dbraw/zinc/41/38/70/843413870.db2.gz SINPBMVFQYYMBC-UHFFFAOYSA-N 1 2 391.949 3.710 20 30 GHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccc(CCOC)cc2)cc1 ZINC000731055758 861438373 /nfs/dbraw/zinc/43/83/73/861438373.db2.gz ILEFAKXZWCELDP-QFIPXVFZSA-N 1 2 378.472 3.704 20 30 GHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccc(CCOC)cc2)cc1 ZINC000731055758 861438378 /nfs/dbraw/zinc/43/83/78/861438378.db2.gz ILEFAKXZWCELDP-QFIPXVFZSA-N 1 2 378.472 3.704 20 30 GHEDLO CC(C)[C@@H](C#N)N1CC[NH+](Cc2cc(Br)cc3cccnc32)CC1 ZINC000610735067 843792371 /nfs/dbraw/zinc/79/23/71/843792371.db2.gz SSVKDTZATCZVHD-GOSISDBHSA-N 1 2 387.325 3.663 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000512852839 843885442 /nfs/dbraw/zinc/88/54/42/843885442.db2.gz YKDDNKDIKHTWBO-UONOGXRCSA-N 1 2 383.464 3.580 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000512852839 843885448 /nfs/dbraw/zinc/88/54/48/843885448.db2.gz YKDDNKDIKHTWBO-UONOGXRCSA-N 1 2 383.464 3.580 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](C(=O)OC)[C@@H]2CCC[C@@H]21 ZINC000599655424 861487398 /nfs/dbraw/zinc/48/73/98/861487398.db2.gz WPBSGUNJSMYHLM-BQFCYCMXSA-N 1 2 388.533 3.567 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C(=O)OC)[C@@H]2CCC[C@@H]21 ZINC000599655424 861487402 /nfs/dbraw/zinc/48/74/02/861487402.db2.gz WPBSGUNJSMYHLM-BQFCYCMXSA-N 1 2 388.533 3.567 20 30 GHEDLO N#CCc1cccc2c1CC[N@@H+](Cc1cn3cc(Br)ccc3n1)C2 ZINC000599679466 861520002 /nfs/dbraw/zinc/52/00/02/861520002.db2.gz TUWKFUJYUKDBKN-UHFFFAOYSA-N 1 2 381.277 3.721 20 30 GHEDLO N#CCc1cccc2c1CC[N@H+](Cc1cn3cc(Br)ccc3n1)C2 ZINC000599679466 861520010 /nfs/dbraw/zinc/52/00/10/861520010.db2.gz TUWKFUJYUKDBKN-UHFFFAOYSA-N 1 2 381.277 3.721 20 30 GHEDLO N#Cc1cc(C[N@@H+](Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)ccn1 ZINC000610993923 845067152 /nfs/dbraw/zinc/06/71/52/845067152.db2.gz HYFPSIHFQLBEBQ-UHFFFAOYSA-N 1 2 386.455 3.641 20 30 GHEDLO N#Cc1cc(C[N@H+](Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)ccn1 ZINC000610993923 845067163 /nfs/dbraw/zinc/06/71/63/845067163.db2.gz HYFPSIHFQLBEBQ-UHFFFAOYSA-N 1 2 386.455 3.641 20 30 GHEDLO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2ccn3cc[nH+]c3c2)cc1C ZINC000474937727 861534406 /nfs/dbraw/zinc/53/44/06/861534406.db2.gz YICHQWPDGGLDSS-UHFFFAOYSA-N 1 2 398.470 3.658 20 30 GHEDLO C[N@H+](Cc1ccc(Br)o1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182614273 845498769 /nfs/dbraw/zinc/49/87/69/845498769.db2.gz VEZWLAHFBHNUEL-MRXNPFEDSA-N 1 2 388.265 3.541 20 30 GHEDLO C[N@@H+](Cc1ccc(Br)o1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182614273 845498773 /nfs/dbraw/zinc/49/87/73/845498773.db2.gz VEZWLAHFBHNUEL-MRXNPFEDSA-N 1 2 388.265 3.541 20 30 GHEDLO Cc1cccc(NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c1C ZINC000512806256 845587401 /nfs/dbraw/zinc/58/74/01/845587401.db2.gz SKTZRBPQNASPMG-UHFFFAOYSA-N 1 2 381.451 3.796 20 30 GHEDLO Cc1ccc(NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)cc1F ZINC000512816041 845628797 /nfs/dbraw/zinc/62/87/97/845628797.db2.gz FKLKCWUAZAQIHJ-UHFFFAOYSA-N 1 2 385.414 3.627 20 30 GHEDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cccc1[N+](=O)[O-] ZINC000502547771 846187365 /nfs/dbraw/zinc/18/73/65/846187365.db2.gz DYENRWJQGJAEHS-MRXNPFEDSA-N 1 2 390.443 3.891 20 30 GHEDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cccc1[N+](=O)[O-] ZINC000502547771 846187367 /nfs/dbraw/zinc/18/73/67/846187367.db2.gz DYENRWJQGJAEHS-MRXNPFEDSA-N 1 2 390.443 3.891 20 30 GHEDLO COc1ccc(NC(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1Cl ZINC000502554863 846201117 /nfs/dbraw/zinc/20/11/17/846201117.db2.gz TZUCVGVQBAXJDH-UHFFFAOYSA-N 1 2 381.863 3.948 20 30 GHEDLO COc1ccc(NC(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1Cl ZINC000502554863 846201119 /nfs/dbraw/zinc/20/11/19/846201119.db2.gz TZUCVGVQBAXJDH-UHFFFAOYSA-N 1 2 381.863 3.948 20 30 GHEDLO N#Cc1ccc(CNC(=O)C[N@H+](Cc2ccc(F)cc2Cl)CC2CC2)cc1 ZINC000511089557 846592747 /nfs/dbraw/zinc/59/27/47/846592747.db2.gz LBLVKGADYVTLLY-UHFFFAOYSA-N 1 2 385.870 3.879 20 30 GHEDLO N#Cc1ccc(CNC(=O)C[N@@H+](Cc2ccc(F)cc2Cl)CC2CC2)cc1 ZINC000511089557 846592754 /nfs/dbraw/zinc/59/27/54/846592754.db2.gz LBLVKGADYVTLLY-UHFFFAOYSA-N 1 2 385.870 3.879 20 30 GHEDLO C=CCOc1c(Br)cc(C[N@@H+]2CCCO[C@H](CF)C2)cc1OC ZINC000414474070 847462189 /nfs/dbraw/zinc/46/21/89/847462189.db2.gz CJUTVAAGYGQQDO-CQSZACIVSA-N 1 2 388.277 3.583 20 30 GHEDLO C=CCOc1c(Br)cc(C[N@H+]2CCCO[C@H](CF)C2)cc1OC ZINC000414474070 847462194 /nfs/dbraw/zinc/46/21/94/847462194.db2.gz CJUTVAAGYGQQDO-CQSZACIVSA-N 1 2 388.277 3.583 20 30 GHEDLO C=CCCCCNC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000502162794 847541620 /nfs/dbraw/zinc/54/16/20/847541620.db2.gz ALENTDIDBJSVDX-UHFFFAOYSA-N 1 2 395.301 3.807 20 30 GHEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1 ZINC000511174040 847774544 /nfs/dbraw/zinc/77/45/44/847774544.db2.gz QOMVUHZLFXUFJW-INIZCTEOSA-N 1 2 395.453 3.773 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(O)(Cc3ccc(F)cc3)CC2)c1C ZINC000481615081 861860543 /nfs/dbraw/zinc/86/05/43/861860543.db2.gz RMVKZQWOWHZFPZ-UHFFFAOYSA-N 1 2 384.495 3.682 20 30 GHEDLO N#Cc1ccccc1Cn1cccc1CNc1cc(CSCCO)cc[nH+]1 ZINC000187913133 849111372 /nfs/dbraw/zinc/11/13/72/849111372.db2.gz ZBHZHNITKNDZJF-UHFFFAOYSA-N 1 2 378.501 3.641 20 30 GHEDLO Cc1ccsc1-c1nnc(NC(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)o1 ZINC000583200395 849315517 /nfs/dbraw/zinc/31/55/17/849315517.db2.gz PIZLWTWFAXMWNL-CYBMUJFWSA-N 1 2 381.461 3.610 20 30 GHEDLO Cc1ccsc1-c1nnc(NC(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)o1 ZINC000583200395 849315522 /nfs/dbraw/zinc/31/55/22/849315522.db2.gz PIZLWTWFAXMWNL-CYBMUJFWSA-N 1 2 381.461 3.610 20 30 GHEDLO CCCOc1cc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)ccc1OC ZINC000434980892 849967528 /nfs/dbraw/zinc/96/75/28/849967528.db2.gz HKWDFBYTICFWGB-NRFANRHFSA-N 1 2 379.504 3.866 20 30 GHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](Cc2ccc(OC)cc2)C1 ZINC000435026217 850009095 /nfs/dbraw/zinc/00/90/95/850009095.db2.gz LJMVIMCVZVQZGY-UGKGYDQZSA-N 1 2 378.472 3.736 20 30 GHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](Cc2ccc(OC)cc2)C1 ZINC000435026217 850009098 /nfs/dbraw/zinc/00/90/98/850009098.db2.gz LJMVIMCVZVQZGY-UGKGYDQZSA-N 1 2 378.472 3.736 20 30 GHEDLO CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000505615264 850129009 /nfs/dbraw/zinc/12/90/09/850129009.db2.gz RYPHVOCLZCROGM-GOSISDBHSA-N 1 2 385.309 3.989 20 30 GHEDLO CC(C)c1ccc(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000604368383 862102017 /nfs/dbraw/zinc/10/20/17/862102017.db2.gz JKQPVGYRECHLQW-UHFFFAOYSA-N 1 2 376.504 3.709 20 30 GHEDLO C=C(C)CS(=O)(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000435447623 850536566 /nfs/dbraw/zinc/53/65/66/850536566.db2.gz QHGAHPHSKIGFIO-UHFFFAOYSA-N 1 2 381.501 3.594 20 30 GHEDLO Cc1ccc([C@@H]([NH2+]CC#Cc2ccc(Cl)cc2)[C@H](C)S(C)(=O)=O)cc1 ZINC000435906232 850963933 /nfs/dbraw/zinc/96/39/33/850963933.db2.gz JRSFLGRTMSKNEI-JXFKEZNVSA-N 1 2 375.921 3.764 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](Cc3nc(-c4ccc(F)c(F)c4)no3)CC2)cc1 ZINC000481765031 862204285 /nfs/dbraw/zinc/20/42/85/862204285.db2.gz RUNJIYNTGAHJMF-UHFFFAOYSA-N 1 2 396.397 3.930 20 30 GHEDLO C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000425081706 851132843 /nfs/dbraw/zinc/13/28/43/851132843.db2.gz DTBKIULOQUYNHH-SWLSCSKDSA-N 1 2 376.382 3.789 20 30 GHEDLO COc1cc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)ccc1OC(F)F ZINC000514004412 851133555 /nfs/dbraw/zinc/13/35/55/851133555.db2.gz JQNKWXCYUHNDGV-UHFFFAOYSA-N 1 2 391.393 3.630 20 30 GHEDLO O=C(Nc1cccc(C#Cc2cccs2)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000043996474 851227751 /nfs/dbraw/zinc/22/77/51/851227751.db2.gz CTBYIXJZJJHSIV-UHFFFAOYSA-N 1 2 388.496 3.897 20 30 GHEDLO C[N@@H+](Cc1c(Cl)cccc1Cl)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000604501440 862259489 /nfs/dbraw/zinc/25/94/89/862259489.db2.gz UDSMIVKWOHKMTL-OAHLLOKOSA-N 1 2 379.287 3.931 20 30 GHEDLO C[N@H+](Cc1c(Cl)cccc1Cl)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000604501440 862259503 /nfs/dbraw/zinc/25/95/03/862259503.db2.gz UDSMIVKWOHKMTL-OAHLLOKOSA-N 1 2 379.287 3.931 20 30 GHEDLO CC[N@H+](Cc1cc(Br)ccc1F)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000488730360 851726998 /nfs/dbraw/zinc/72/69/98/851726998.db2.gz VETKYCIBTJGNOU-SCLBCKFNSA-N 1 2 398.320 3.853 20 30 GHEDLO CC[N@@H+](Cc1cc(Br)ccc1F)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000488730360 851727001 /nfs/dbraw/zinc/72/70/01/851727001.db2.gz VETKYCIBTJGNOU-SCLBCKFNSA-N 1 2 398.320 3.853 20 30 GHEDLO COc1ccc(F)cc1C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000604531859 862283177 /nfs/dbraw/zinc/28/31/77/862283177.db2.gz CVKFXQMFIIZXFM-UHFFFAOYSA-N 1 2 376.435 3.576 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)N[C@]2(C)CCO[C@@H]2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000329766461 862304359 /nfs/dbraw/zinc/30/43/59/862304359.db2.gz YFEJVWGBDFGAIS-JRBPQWBISA-N 1 2 395.906 3.686 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)N[C@]2(C)CCO[C@@H]2C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000329766461 862304372 /nfs/dbraw/zinc/30/43/72/862304372.db2.gz YFEJVWGBDFGAIS-JRBPQWBISA-N 1 2 395.906 3.686 20 30 GHEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000517486786 852011901 /nfs/dbraw/zinc/01/19/01/852011901.db2.gz IWJXKZODTQLHLD-FCLVOEFKSA-N 1 2 395.906 3.505 20 30 GHEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000517486786 852011908 /nfs/dbraw/zinc/01/19/08/852011908.db2.gz IWJXKZODTQLHLD-FCLVOEFKSA-N 1 2 395.906 3.505 20 30 GHEDLO N#CCCCOc1cccc(C[NH+]2CCN(C(=O)c3ccc(F)c(F)c3)CC2)c1 ZINC000507027088 852472520 /nfs/dbraw/zinc/47/25/20/852472520.db2.gz RJCGTEJMEALBRV-UHFFFAOYSA-N 1 2 399.441 3.605 20 30 GHEDLO COC(=O)CCC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccccc1 ZINC000490044472 852733625 /nfs/dbraw/zinc/73/36/25/852733625.db2.gz RVFLTHYKOXADQN-UHFFFAOYSA-N 1 2 390.443 3.564 20 30 GHEDLO COC(=O)CCC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccccc1 ZINC000490044472 852733628 /nfs/dbraw/zinc/73/36/28/852733628.db2.gz RVFLTHYKOXADQN-UHFFFAOYSA-N 1 2 390.443 3.564 20 30 GHEDLO COc1cc2nc(C)sc2cc1NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000329883647 862394735 /nfs/dbraw/zinc/39/47/35/862394735.db2.gz RGXARUZAOGFDGR-LRDDRELGSA-N 1 2 385.493 3.938 20 30 GHEDLO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1nnc(-c3ccc(Br)cc3)[nH]1)CC2 ZINC000516896179 853138779 /nfs/dbraw/zinc/13/87/79/853138779.db2.gz CYAVKIYBKSWVOY-KRWDZBQOSA-N 1 2 394.276 3.883 20 30 GHEDLO C#CCOc1ccc(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000151406762 853393607 /nfs/dbraw/zinc/39/36/07/853393607.db2.gz BKOHJVQNNSLZTC-HDICACEKSA-N 1 2 378.472 3.560 20 30 GHEDLO C#CCOc1ccc(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000151406762 853393613 /nfs/dbraw/zinc/39/36/13/853393613.db2.gz BKOHJVQNNSLZTC-HDICACEKSA-N 1 2 378.472 3.560 20 30 GHEDLO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@@H+]3CCC[C@@H]3CO)sc2C1 ZINC000426406496 853715505 /nfs/dbraw/zinc/71/55/05/853715505.db2.gz PWSNVJQDOLUJFM-HUUCEWRRSA-N 1 2 389.565 3.556 20 30 GHEDLO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@H+]3CCC[C@@H]3CO)sc2C1 ZINC000426406496 853715515 /nfs/dbraw/zinc/71/55/15/853715515.db2.gz PWSNVJQDOLUJFM-HUUCEWRRSA-N 1 2 389.565 3.556 20 30 GHEDLO CCO[C@@H](C)c1nc(C[N@H+](C)CCC(=O)Nc2sccc2C#N)cs1 ZINC000441413110 854191874 /nfs/dbraw/zinc/19/18/74/854191874.db2.gz YABFCSCYLKVXKS-LBPRGKRZSA-N 1 2 378.523 3.634 20 30 GHEDLO CCO[C@@H](C)c1nc(C[N@@H+](C)CCC(=O)Nc2sccc2C#N)cs1 ZINC000441413110 854191879 /nfs/dbraw/zinc/19/18/79/854191879.db2.gz YABFCSCYLKVXKS-LBPRGKRZSA-N 1 2 378.523 3.634 20 30 GHEDLO Cc1c2ccccc2oc1[C@@H](C)NC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000330071435 862553471 /nfs/dbraw/zinc/55/34/71/862553471.db2.gz YCPIXWRPGVPMGO-SPYBWZPUSA-N 1 2 382.464 3.960 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC(C)(C)OC(C)(C)C3)n2)C1 ZINC000328603605 854502067 /nfs/dbraw/zinc/50/20/67/854502067.db2.gz HXDYOMAZASRXJO-CQSZACIVSA-N 1 2 380.558 3.810 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC(C)(C)OC(C)(C)C3)n2)C1 ZINC000328603605 854502070 /nfs/dbraw/zinc/50/20/70/854502070.db2.gz HXDYOMAZASRXJO-CQSZACIVSA-N 1 2 380.558 3.810 20 30 GHEDLO O=C(Nc1nccn1-c1ccccc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000328759651 854531012 /nfs/dbraw/zinc/53/10/12/854531012.db2.gz WXSRJGIQNBAYHO-QGZVFWFLSA-N 1 2 390.491 3.830 20 30 GHEDLO C#Cc1cccc(NC(=O)C[NH2+][C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)c1 ZINC000056202246 854550483 /nfs/dbraw/zinc/55/04/83/854550483.db2.gz PIEBNERJPUGJLS-DEOSSOPVSA-N 1 2 397.478 3.884 20 30 GHEDLO N#Cc1ccc(C[NH2+]Cc2nnc3ccc(C(F)(F)F)cn32)c(C(F)(F)F)c1 ZINC000589310120 854803778 /nfs/dbraw/zinc/80/37/78/854803778.db2.gz MYCIFTRWIYPHQM-UHFFFAOYSA-N 1 2 399.298 3.928 20 30 GHEDLO C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(c2ccc(C#N)c([N+](=O)[O-])c2)CC1 ZINC000589558070 855025455 /nfs/dbraw/zinc/02/54/55/855025455.db2.gz VMNSNTVTEDTHBC-AWEZNQCLSA-N 1 2 393.472 3.959 20 30 GHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@H](C)Oc2ccc(C#N)cc2)c(C)c1 ZINC000441493390 855409969 /nfs/dbraw/zinc/40/99/69/855409969.db2.gz SVVBTKGDDBQMCE-AVRDEDQJSA-N 1 2 388.471 3.697 20 30 GHEDLO CC(C)(C)c1nsc(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)n1 ZINC000330241996 862686895 /nfs/dbraw/zinc/68/68/95/862686895.db2.gz FXVPXNUTSUATDD-JKSUJKDBSA-N 1 2 396.520 3.709 20 30 GHEDLO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000465753430 855859260 /nfs/dbraw/zinc/85/92/60/855859260.db2.gz QDQHEHOUNZZYHO-RBBKRZOGSA-N 1 2 385.471 3.854 20 30 GHEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3ccc(F)c(C#N)c3)CC2)c1 ZINC000171402409 856123280 /nfs/dbraw/zinc/12/32/80/856123280.db2.gz GYHXPVNLDSMIOQ-OAHLLOKOSA-N 1 2 382.439 3.617 20 30 GHEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@H](c4ccn[nH]4)C3)sc2C1 ZINC000171630635 856210220 /nfs/dbraw/zinc/21/02/20/856210220.db2.gz DFQOAVURCQSYNL-CABCVRRESA-N 1 2 397.548 3.676 20 30 GHEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCC[C@H](c4ccn[nH]4)C3)sc2C1 ZINC000171630635 856210230 /nfs/dbraw/zinc/21/02/30/856210230.db2.gz DFQOAVURCQSYNL-CABCVRRESA-N 1 2 397.548 3.676 20 30 GHEDLO N#Cc1ccc(CC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000171871640 856293402 /nfs/dbraw/zinc/29/34/02/856293402.db2.gz JXWCDBPEUYKBLK-LJQANCHMSA-N 1 2 385.870 3.674 20 30 GHEDLO N#Cc1ccc(CC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000171871640 856293412 /nfs/dbraw/zinc/29/34/12/856293412.db2.gz JXWCDBPEUYKBLK-LJQANCHMSA-N 1 2 385.870 3.674 20 30 GHEDLO N#Cc1cnccc1C[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000592080447 856652727 /nfs/dbraw/zinc/65/27/27/856652727.db2.gz OVUNMDYPQZSGST-UHFFFAOYSA-N 1 2 399.292 3.566 20 30 GHEDLO CO/N=C/c1ccc(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000058424898 856771834 /nfs/dbraw/zinc/77/18/34/856771834.db2.gz IWHYDSDSMVQVNJ-IGEFUOJOSA-N 1 2 381.476 3.528 20 30 GHEDLO CO/N=C/c1ccc(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000058424898 856771840 /nfs/dbraw/zinc/77/18/40/856771840.db2.gz IWHYDSDSMVQVNJ-IGEFUOJOSA-N 1 2 381.476 3.528 20 30 GHEDLO COCC[N@H+](CC(=O)N[C@H](C)c1ccc(C)c(C)c1)Cc1ccc(C#N)cc1 ZINC000063754466 857051319 /nfs/dbraw/zinc/05/13/19/857051319.db2.gz KIJUMSWAJPKWGE-LJQANCHMSA-N 1 2 379.504 3.501 20 30 GHEDLO COCC[N@@H+](CC(=O)N[C@H](C)c1ccc(C)c(C)c1)Cc1ccc(C#N)cc1 ZINC000063754466 857051326 /nfs/dbraw/zinc/05/13/26/857051326.db2.gz KIJUMSWAJPKWGE-LJQANCHMSA-N 1 2 379.504 3.501 20 30 GHEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429246188 857186500 /nfs/dbraw/zinc/18/65/00/857186500.db2.gz FTOWHNPTLGUCLF-OALUTQOASA-N 1 2 394.494 3.672 20 30 GHEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429246188 857186502 /nfs/dbraw/zinc/18/65/02/857186502.db2.gz FTOWHNPTLGUCLF-OALUTQOASA-N 1 2 394.494 3.672 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)CCc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246077824 857225982 /nfs/dbraw/zinc/22/59/82/857225982.db2.gz BWYLROONVYDVAX-TZIWHRDSSA-N 1 2 385.870 3.845 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)CCc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246077824 857225994 /nfs/dbraw/zinc/22/59/94/857225994.db2.gz BWYLROONVYDVAX-TZIWHRDSSA-N 1 2 385.870 3.845 20 30 GHEDLO Cc1cc(C#N)cc(C)c1CC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000906811490 857308657 /nfs/dbraw/zinc/30/86/57/857308657.db2.gz VHXBJYGVYJFDBY-UHFFFAOYSA-N 1 2 390.531 3.569 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000042857912 857448964 /nfs/dbraw/zinc/44/89/64/857448964.db2.gz RJGFIFKZBYUSRS-CQSZACIVSA-N 1 2 393.512 3.930 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000042857912 857448968 /nfs/dbraw/zinc/44/89/68/857448968.db2.gz RJGFIFKZBYUSRS-CQSZACIVSA-N 1 2 393.512 3.930 20 30 GHEDLO COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H](C)[NH+]2CCSCC2)cc1 ZINC000486199051 857533857 /nfs/dbraw/zinc/53/38/57/857533857.db2.gz WMYQPBQPHRQAFB-OAHLLOKOSA-N 1 2 397.500 3.735 20 30 GHEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H](C)Cc1ccc(C#N)cc1 ZINC000593980230 857814939 /nfs/dbraw/zinc/81/49/39/857814939.db2.gz MRQVRVGNRHBFLR-SFHVURJKSA-N 1 2 377.488 3.516 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(N(C)c3ccccc3)CC2)c(C#N)c1C ZINC000065956492 857892805 /nfs/dbraw/zinc/89/28/05/857892805.db2.gz SXVAARAWVQYQRD-MRXNPFEDSA-N 1 2 380.492 3.696 20 30 GHEDLO C=C(C)[C@H](CC(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1)OCC ZINC000543024574 857925405 /nfs/dbraw/zinc/92/54/05/857925405.db2.gz VECPHYSGGWHIHG-UWVAXJGDSA-N 1 2 384.442 3.727 20 30 GHEDLO C=C(C)[C@H](CC(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1)OCC ZINC000543024574 857925413 /nfs/dbraw/zinc/92/54/13/857925413.db2.gz VECPHYSGGWHIHG-UWVAXJGDSA-N 1 2 384.442 3.727 20 30 GHEDLO C=C(C)[C@H](CC(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1)OCC ZINC000543024572 857925778 /nfs/dbraw/zinc/92/57/78/857925778.db2.gz VECPHYSGGWHIHG-ABSDTBQOSA-N 1 2 384.442 3.727 20 30 GHEDLO C=C(C)[C@H](CC(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1)OCC ZINC000543024572 857925787 /nfs/dbraw/zinc/92/57/87/857925787.db2.gz VECPHYSGGWHIHG-ABSDTBQOSA-N 1 2 384.442 3.727 20 30 GHEDLO Cc1ccc(-c2noc(CN3CC[NH+](Cc4ccc(C#N)c(C)c4)CC3)n2)cc1 ZINC000486688854 857997867 /nfs/dbraw/zinc/99/78/67/857997867.db2.gz BCHXBISCOOONNK-UHFFFAOYSA-N 1 2 387.487 3.543 20 30 GHEDLO COc1ccc(-c2csc(NC(=O)C[N@H+](C)Cc3ccc(C#N)cc3)n2)cc1 ZINC000046527981 858047257 /nfs/dbraw/zinc/04/72/57/858047257.db2.gz PVRJIERMJFVZOH-UHFFFAOYSA-N 1 2 392.484 3.761 20 30 GHEDLO COc1ccc(-c2csc(NC(=O)C[N@@H+](C)Cc3ccc(C#N)cc3)n2)cc1 ZINC000046527981 858047260 /nfs/dbraw/zinc/04/72/60/858047260.db2.gz PVRJIERMJFVZOH-UHFFFAOYSA-N 1 2 392.484 3.761 20 30 GHEDLO Cc1[nH+]c2c(n1[C@@H]1CC[N@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)C1)CCCC2 ZINC000330338016 862986082 /nfs/dbraw/zinc/98/60/82/862986082.db2.gz UUADEMDPQUEPRR-SJLPKXTDSA-N 1 2 383.540 3.889 20 30 GHEDLO Cc1nc2c(n1[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)C1)CCCC2 ZINC000330338016 862986087 /nfs/dbraw/zinc/98/60/87/862986087.db2.gz UUADEMDPQUEPRR-SJLPKXTDSA-N 1 2 383.540 3.889 20 30 GHEDLO Cc1cc(C#N)ccc1C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000439075671 858231478 /nfs/dbraw/zinc/23/14/78/858231478.db2.gz GXOQEXFGDOWHHU-UHFFFAOYSA-N 1 2 384.443 3.756 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H](CC#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000595572722 858556747 /nfs/dbraw/zinc/55/67/47/858556747.db2.gz MGDOAJXOMWMMNJ-MDASCCDHSA-N 1 2 392.906 3.950 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)N2CCC[C@H](CC#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000595572722 858556750 /nfs/dbraw/zinc/55/67/50/858556750.db2.gz MGDOAJXOMWMMNJ-MDASCCDHSA-N 1 2 392.906 3.950 20 30 GHEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH2+][C@@H](C)c2cscn2)c1C#N ZINC000595668343 858642803 /nfs/dbraw/zinc/64/28/03/858642803.db2.gz MDCCVWAIPMYFKI-ZDUSSCGKSA-N 1 2 397.479 3.851 20 30 GHEDLO COC[C@H]([NH2+]Cc1cc(C#N)ccc1Br)c1cccc(OC)c1 ZINC000595685355 858647219 /nfs/dbraw/zinc/64/72/19/858647219.db2.gz WOPJHMWCRGYHRQ-SFHVURJKSA-N 1 2 375.266 3.807 20 30 GHEDLO N#CC[C@H]1CCCN(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000596133679 858788269 /nfs/dbraw/zinc/78/82/69/858788269.db2.gz YPSUAIKGQHHXGG-CRAIPNDOSA-N 1 2 392.906 3.951 20 30 GHEDLO C[N@@H+]1CCO[C@H]([C@H](Nc2nc3ncccc3cc2C#N)c2ccc(Cl)cc2)C1 ZINC000596179328 858799751 /nfs/dbraw/zinc/79/97/51/858799751.db2.gz VSISRAWYCDIFJG-RBUKOAKNSA-N 1 2 393.878 3.639 20 30 GHEDLO C[N@H+]1CCO[C@H]([C@H](Nc2nc3ncccc3cc2C#N)c2ccc(Cl)cc2)C1 ZINC000596179328 858799759 /nfs/dbraw/zinc/79/97/59/858799759.db2.gz VSISRAWYCDIFJG-RBUKOAKNSA-N 1 2 393.878 3.639 20 30 GHEDLO N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC000596862278 859141991 /nfs/dbraw/zinc/14/19/91/859141991.db2.gz FEOIONNEZUWTBG-GOSISDBHSA-N 1 2 386.455 3.729 20 30 GHEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000443643497 859142200 /nfs/dbraw/zinc/14/22/00/859142200.db2.gz VWNQNZBCFWHEIS-GQIGUUNPSA-N 1 2 377.916 3.626 20 30 GHEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000443643497 859142202 /nfs/dbraw/zinc/14/22/02/859142202.db2.gz VWNQNZBCFWHEIS-GQIGUUNPSA-N 1 2 377.916 3.626 20 30 GHEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000443643499 859142239 /nfs/dbraw/zinc/14/22/39/859142239.db2.gz VWNQNZBCFWHEIS-GUXCAODWSA-N 1 2 377.916 3.626 20 30 GHEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000443643499 859142242 /nfs/dbraw/zinc/14/22/42/859142242.db2.gz VWNQNZBCFWHEIS-GUXCAODWSA-N 1 2 377.916 3.626 20 30 GHEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1=S ZINC000840112665 859197340 /nfs/dbraw/zinc/19/73/40/859197340.db2.gz AAUNUPNJUWACGO-IPMKNSEASA-N 1 2 399.564 3.635 20 30 GHEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1=S ZINC000840112665 859197346 /nfs/dbraw/zinc/19/73/46/859197346.db2.gz AAUNUPNJUWACGO-IPMKNSEASA-N 1 2 399.564 3.635 20 30 GHEDLO N#Cc1ccc(SCC(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1 ZINC000483324487 859298490 /nfs/dbraw/zinc/29/84/90/859298490.db2.gz RHBQUCGOFBEIIA-UHFFFAOYSA-N 1 2 378.457 3.565 20 30 GHEDLO CC(C)(CC#N)C[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000597152058 859318449 /nfs/dbraw/zinc/31/84/49/859318449.db2.gz WQDRIVYGYMYRAY-UHFFFAOYSA-N 1 2 376.092 3.947 20 30 GHEDLO CCOC(=O)[C@H](Cc1ccccn1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170365321 881431486 /nfs/dbraw/zinc/43/14/86/881431486.db2.gz VXJDCJQTXYNDRU-SWCONJRYSA-N 1 2 377.488 3.550 20 30 GHEDLO CC(=[NH+]NCc1ccc(F)cc1F)c1ccc(N2CCOCC2)cc1Cl ZINC000764690666 859565755 /nfs/dbraw/zinc/56/57/55/859565755.db2.gz QNRWVKOROUSQCG-UHFFFAOYSA-N 1 2 379.838 3.969 20 30 GHEDLO C=C[C@](C)(CCOC)C(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000474189003 859568361 /nfs/dbraw/zinc/56/83/61/859568361.db2.gz JUSFTOQFZCMUPH-XKGZKEIXSA-N 1 2 384.442 3.584 20 30 GHEDLO C=C[C@](C)(CCOC)C(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000474189003 859568368 /nfs/dbraw/zinc/56/83/68/859568368.db2.gz JUSFTOQFZCMUPH-XKGZKEIXSA-N 1 2 384.442 3.584 20 30 GHEDLO CC(=O)N1CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)CC12CCCCC2 ZINC000611225376 859657261 /nfs/dbraw/zinc/65/72/61/859657261.db2.gz NHKRSMZBSMQYSF-UHFFFAOYSA-N 1 2 377.435 3.527 20 30 GHEDLO CC(=O)N1CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)CC12CCCCC2 ZINC000611225376 859657265 /nfs/dbraw/zinc/65/72/65/859657265.db2.gz NHKRSMZBSMQYSF-UHFFFAOYSA-N 1 2 377.435 3.527 20 30 GHEDLO CC(C)(C)CC(=O)N1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000611254228 859665068 /nfs/dbraw/zinc/66/50/68/859665068.db2.gz YPODBAHJLHQWPY-UHFFFAOYSA-N 1 2 393.535 3.544 20 30 GHEDLO NC(=[NH+]OCc1nc(Cl)ccc1Cl)c1ccc(Br)cc1 ZINC000764941662 859680268 /nfs/dbraw/zinc/68/02/68/859680268.db2.gz TYNGGENBOPWPNJ-UHFFFAOYSA-N 1 2 375.053 3.988 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)Cc1c(C)nc2sccn21 ZINC000474274500 859742977 /nfs/dbraw/zinc/74/29/77/859742977.db2.gz GGQUWIPSUJNRGO-OAHLLOKOSA-N 1 2 388.562 3.801 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)Cc1c(C)nc2sccn21 ZINC000474274500 859742984 /nfs/dbraw/zinc/74/29/84/859742984.db2.gz GGQUWIPSUJNRGO-OAHLLOKOSA-N 1 2 388.562 3.801 20 30 GHEDLO CC(C)COc1cccc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 ZINC000611410826 859745780 /nfs/dbraw/zinc/74/57/80/859745780.db2.gz QJGMPAGCSAIGHH-UHFFFAOYSA-N 1 2 380.492 3.781 20 30 GHEDLO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000602103841 859778990 /nfs/dbraw/zinc/77/89/90/859778990.db2.gz CZYDYFDDCSDLAY-ZACQAIPSSA-N 1 2 376.382 3.675 20 30 GHEDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccccc2Sc2ccccc2C#N)[C@H](C)CO1 ZINC000597997062 859977078 /nfs/dbraw/zinc/97/70/78/859977078.db2.gz KTSKVDAJJBSZHE-IAGOWNOFSA-N 1 2 395.528 3.548 20 30 GHEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccccc2Sc2ccccc2C#N)[C@H](C)CO1 ZINC000597997062 859977079 /nfs/dbraw/zinc/97/70/79/859977079.db2.gz KTSKVDAJJBSZHE-IAGOWNOFSA-N 1 2 395.528 3.548 20 30 GHEDLO C[C@H]([C@H](C)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[NH+]1CCOCC1 ZINC000729552325 860250635 /nfs/dbraw/zinc/25/06/35/860250635.db2.gz DDEPKLYGJWQFJB-SVMVAKDDSA-N 1 2 392.503 3.573 20 30 GHEDLO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@@H+]3CC[C@@](C)(O)C3)sc2C1 ZINC000484973902 860547027 /nfs/dbraw/zinc/54/70/27/860547027.db2.gz GJVXIQOFYVKLBP-SPLOXXLWSA-N 1 2 389.565 3.556 20 30 GHEDLO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@H+]3CC[C@@](C)(O)C3)sc2C1 ZINC000484973902 860547031 /nfs/dbraw/zinc/54/70/31/860547031.db2.gz GJVXIQOFYVKLBP-SPLOXXLWSA-N 1 2 389.565 3.556 20 30 GHEDLO C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000139804909 860568917 /nfs/dbraw/zinc/56/89/17/860568917.db2.gz IHQOUDDUGBQWAM-CYBMUJFWSA-N 1 2 388.418 3.908 20 30 GHEDLO Cc1nnc([C@@H]2CCC[N@@H+](CC(=O)N[C@H](C)c3ccc4c(c3)CCCC4)C2)[nH]1 ZINC000329228252 861168965 /nfs/dbraw/zinc/16/89/65/861168965.db2.gz AJTHQZFKCTXRQI-FOIQADDNSA-N 1 2 381.524 3.889 20 30 GHEDLO Cc1nnc([C@@H]2CCC[N@H+](CC(=O)N[C@H](C)c3ccc4c(c3)CCCC4)C2)[nH]1 ZINC000329228252 861168969 /nfs/dbraw/zinc/16/89/69/861168969.db2.gz AJTHQZFKCTXRQI-FOIQADDNSA-N 1 2 381.524 3.889 20 30 GHEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC(=O)N[C@H](C)c3ccc4c(c3)CCCC4)C2)n1 ZINC000329228252 861168978 /nfs/dbraw/zinc/16/89/78/861168978.db2.gz AJTHQZFKCTXRQI-FOIQADDNSA-N 1 2 381.524 3.889 20 30 GHEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](CC(=O)N[C@H](C)c3ccc4c(c3)CCCC4)C2)n1 ZINC000329228252 861168982 /nfs/dbraw/zinc/16/89/82/861168982.db2.gz AJTHQZFKCTXRQI-FOIQADDNSA-N 1 2 381.524 3.889 20 30 GHEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000594012748 863739581 /nfs/dbraw/zinc/73/95/81/863739581.db2.gz KZIVYFWAZSOYJS-QGZVFWFLSA-N 1 2 376.504 3.676 20 30 GHEDLO N#Cc1ccc(C2([NH2+]Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CCC2)cc1 ZINC000594032703 863822233 /nfs/dbraw/zinc/82/22/33/863822233.db2.gz LPQVZNTWORENCT-UHFFFAOYSA-N 1 2 375.388 3.685 20 30 GHEDLO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H](Cc3ccccc3)c3ncco3)C2=O)cc1 ZINC000594053452 863913419 /nfs/dbraw/zinc/91/34/19/863913419.db2.gz BGMTWCORVIDNJW-SFTDATJTSA-N 1 2 386.455 3.615 20 30 GHEDLO CCCn1nccc1C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000897056045 864372028 /nfs/dbraw/zinc/37/20/28/864372028.db2.gz SWGZCFZPGLOXSC-PHIMTYICSA-N 1 2 391.306 3.896 20 30 GHEDLO CCCn1nccc1C[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000897056045 864372043 /nfs/dbraw/zinc/37/20/43/864372043.db2.gz SWGZCFZPGLOXSC-PHIMTYICSA-N 1 2 391.306 3.896 20 30 GHEDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H](C)c1ccccc1 ZINC000475274890 864678453 /nfs/dbraw/zinc/67/84/53/864678453.db2.gz DRJPGSYZTLVBOR-MOPGFXCFSA-N 1 2 376.504 3.578 20 30 GHEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000475313859 864772030 /nfs/dbraw/zinc/77/20/30/864772030.db2.gz PLQOCCQKIFIOQM-UHFFFAOYSA-N 1 2 380.398 3.709 20 30 GHEDLO N#Cc1cccc(NC(=O)C[NH2+][C@@H](c2cccc(Cl)c2)c2ccccn2)c1 ZINC000475334716 864822989 /nfs/dbraw/zinc/82/29/89/864822989.db2.gz PBRZNMVQRWASDT-NRFANRHFSA-N 1 2 376.847 3.924 20 30 GHEDLO CCc1ccc([C@H](C#N)NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)cc1 ZINC000554790586 864916256 /nfs/dbraw/zinc/91/62/56/864916256.db2.gz SCEOWUKLKOHNDH-SFTDATJTSA-N 1 2 379.529 3.720 20 30 GHEDLO C=CCn1c(-c2ccccc2OC)nn(C[N@H+](CC)C[C@@H]2CCOC2)c1=S ZINC000738081427 865482757 /nfs/dbraw/zinc/48/27/57/865482757.db2.gz KRRYTTLFHGPJMT-INIZCTEOSA-N 1 2 388.537 3.592 20 30 GHEDLO C=CCn1c(-c2ccccc2OC)nn(C[N@@H+](CC)C[C@@H]2CCOC2)c1=S ZINC000738081427 865482765 /nfs/dbraw/zinc/48/27/65/865482765.db2.gz KRRYTTLFHGPJMT-INIZCTEOSA-N 1 2 388.537 3.592 20 30 GHEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000739912125 865826945 /nfs/dbraw/zinc/82/69/45/865826945.db2.gz FUOAGLJNLIKIHU-QFIPXVFZSA-N 1 2 389.455 3.992 20 30 GHEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000739912125 865826961 /nfs/dbraw/zinc/82/69/61/865826961.db2.gz FUOAGLJNLIKIHU-QFIPXVFZSA-N 1 2 389.455 3.992 20 30 GHEDLO N#Cc1ccc(-c2cccc(CNC(=O)NCCCCn3cc[nH+]c3)c2)s1 ZINC000740032853 865834422 /nfs/dbraw/zinc/83/44/22/865834422.db2.gz VZHGDHZCBKWDAM-UHFFFAOYSA-N 1 2 379.489 3.763 20 30 GHEDLO CC(C)Oc1ccc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1C#N ZINC000534530191 867001038 /nfs/dbraw/zinc/00/10/38/867001038.db2.gz TUWVSFNRCFMKHT-UHFFFAOYSA-N 1 2 384.505 3.757 20 30 GHEDLO C=CCn1c(-c2ccoc2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000508510366 867303147 /nfs/dbraw/zinc/30/31/47/867303147.db2.gz QNFDLVIHRHLGMC-UHFFFAOYSA-N 1 2 383.883 3.700 20 30 GHEDLO N#Cc1cccc(OCc2ccoc2C(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000523733376 867866940 /nfs/dbraw/zinc/86/69/40/867866940.db2.gz YWCWBMADXBJXKB-UHFFFAOYSA-N 1 2 398.422 3.846 20 30 GHEDLO C[C@H](NC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)c1ccc(C#N)cc1 ZINC000743125565 867875020 /nfs/dbraw/zinc/87/50/20/867875020.db2.gz TYAGPYYMSVQWSF-KRWDZBQOSA-N 1 2 391.519 3.653 20 30 GHEDLO CC(=O)c1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c1ccccc1)CC2 ZINC000535211575 868380316 /nfs/dbraw/zinc/38/03/16/868380316.db2.gz LNFMFXLIYLEGGX-SFHVURJKSA-N 1 2 389.499 3.625 20 30 GHEDLO CC(=O)c1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c1ccccc1)CC2 ZINC000535211575 868380333 /nfs/dbraw/zinc/38/03/33/868380333.db2.gz LNFMFXLIYLEGGX-SFHVURJKSA-N 1 2 389.499 3.625 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+]([C@H]3CCN(c4ccccc4Cl)C3=O)CC2)cc1 ZINC000554023710 868604976 /nfs/dbraw/zinc/60/49/76/868604976.db2.gz XCVFOWJDXCULCW-NRFANRHFSA-N 1 2 395.890 3.860 20 30 GHEDLO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000609079135 868922354 /nfs/dbraw/zinc/92/23/54/868922354.db2.gz LCIHYJGUZDSZBZ-KRWDZBQOSA-N 1 2 389.459 3.852 20 30 GHEDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)(C)c1ccccc1 ZINC000524426131 869066511 /nfs/dbraw/zinc/06/65/11/869066511.db2.gz QLRDNODAIYKUHE-LJQANCHMSA-N 1 2 390.531 3.752 20 30 GHEDLO COC(=O)c1oc(CO[NH+]=C(N)c2ccc(OCc3ccccc3)cc2)cc1C ZINC000920767920 882369505 /nfs/dbraw/zinc/36/95/05/882369505.db2.gz RYLLVBMKNUADDJ-UHFFFAOYSA-N 1 2 394.427 3.791 20 30 GHEDLO C#CC[N@@H+](CC)CC(=O)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1 ZINC000746457585 870755209 /nfs/dbraw/zinc/75/52/09/870755209.db2.gz JXFCGPITRAUHMW-SFHVURJKSA-N 1 2 375.428 3.659 20 30 GHEDLO C#CC[N@H+](CC)CC(=O)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1 ZINC000746457585 870755221 /nfs/dbraw/zinc/75/52/21/870755221.db2.gz JXFCGPITRAUHMW-SFHVURJKSA-N 1 2 375.428 3.659 20 30 GHEDLO COC(=O)c1coc(C(=O)/C=C/c2c[nH+]c3c(C)cc(Br)cn23)c1 ZINC000766502544 870866405 /nfs/dbraw/zinc/86/64/05/870866405.db2.gz PELQTWVMAHABAE-ONEGZZNKSA-N 1 2 389.205 3.681 20 30 GHEDLO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2nnc(-c3cccc(C#N)c3)o2)c1 ZINC000441188137 870931423 /nfs/dbraw/zinc/93/14/23/870931423.db2.gz JGPWSRYTLCWQON-LJQANCHMSA-N 1 2 390.443 3.963 20 30 GHEDLO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2nnc(-c3cccc(C#N)c3)o2)c1 ZINC000441188137 870931429 /nfs/dbraw/zinc/93/14/29/870931429.db2.gz JGPWSRYTLCWQON-LJQANCHMSA-N 1 2 390.443 3.963 20 30 GHEDLO N#CC1(C[C@H](O)C[N@@H+]2CCc3c(Br)ccc(Cl)c3C2)CCC1 ZINC001168967751 871061712 /nfs/dbraw/zinc/06/17/12/871061712.db2.gz ACRLSSJMMSTZHN-LBPRGKRZSA-N 1 2 383.717 3.905 20 30 GHEDLO N#CC1(C[C@H](O)C[N@H+]2CCc3c(Br)ccc(Cl)c3C2)CCC1 ZINC001168967751 871061739 /nfs/dbraw/zinc/06/17/39/871061739.db2.gz ACRLSSJMMSTZHN-LBPRGKRZSA-N 1 2 383.717 3.905 20 30 GHEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@@H](c3ccccc3C)C2)c(OC)c1 ZINC000525637078 871123308 /nfs/dbraw/zinc/12/33/08/871123308.db2.gz XWSYVXKXJIZAJT-GBXCKJPGSA-N 1 2 397.515 3.545 20 30 GHEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@@H](c3ccccc3C)C2)c(OC)c1 ZINC000525637078 871123318 /nfs/dbraw/zinc/12/33/18/871123318.db2.gz XWSYVXKXJIZAJT-GBXCKJPGSA-N 1 2 397.515 3.545 20 30 GHEDLO CCCCCCCOC(=O)N1CCC2(CC1)c1[nH+]cc(C)n1CCN2CC ZINC001193995670 871451996 /nfs/dbraw/zinc/45/19/96/871451996.db2.gz UUIOYVZSESTMOK-UHFFFAOYSA-N 1 2 376.545 3.925 20 30 GHEDLO C[N@H+](CCc1cccc2ccccc21)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000478027076 872371726 /nfs/dbraw/zinc/37/17/26/872371726.db2.gz SFZMKUULCTXJIW-UHFFFAOYSA-N 1 2 378.497 3.660 20 30 GHEDLO C[N@@H+](CCc1cccc2ccccc21)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000478027076 872371762 /nfs/dbraw/zinc/37/17/62/872371762.db2.gz SFZMKUULCTXJIW-UHFFFAOYSA-N 1 2 378.497 3.660 20 30 GHEDLO Cc1nn(C)c(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)c1Br ZINC000447927992 872560362 /nfs/dbraw/zinc/56/03/62/872560362.db2.gz CMBCENIVTFUXBE-UHFFFAOYSA-N 1 2 386.215 3.651 20 30 GHEDLO C=CC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000541070723 872845031 /nfs/dbraw/zinc/84/50/31/872845031.db2.gz UIYWMMRDHMHUJA-CQSZACIVSA-N 1 2 398.854 3.973 20 30 GHEDLO C=CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000541070723 872845054 /nfs/dbraw/zinc/84/50/54/872845054.db2.gz UIYWMMRDHMHUJA-CQSZACIVSA-N 1 2 398.854 3.973 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000768916305 873684437 /nfs/dbraw/zinc/68/44/37/873684437.db2.gz YWNFRHAOPFWOHZ-UHFFFAOYSA-N 1 2 389.411 3.907 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000768916305 873684445 /nfs/dbraw/zinc/68/44/45/873684445.db2.gz YWNFRHAOPFWOHZ-UHFFFAOYSA-N 1 2 389.411 3.907 20 30 GHEDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cccc(C#N)c2Br)c1C ZINC000448820681 874018281 /nfs/dbraw/zinc/01/82/81/874018281.db2.gz CDTSLJKUDNRECT-UHFFFAOYSA-N 1 2 388.265 3.613 20 30 GHEDLO C=CCOc1c(Br)cc(C[N@@H+]2CCOC[C@@H](C)C2)cc1OCC ZINC000769458202 874084377 /nfs/dbraw/zinc/08/43/77/874084377.db2.gz YQABAIYFXYPGAS-AWEZNQCLSA-N 1 2 384.314 3.881 20 30 GHEDLO C=CCOc1c(Br)cc(C[N@H+]2CCOC[C@@H](C)C2)cc1OCC ZINC000769458202 874084392 /nfs/dbraw/zinc/08/43/92/874084392.db2.gz YQABAIYFXYPGAS-AWEZNQCLSA-N 1 2 384.314 3.881 20 30 GHEDLO CCN(C(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000541680658 874086562 /nfs/dbraw/zinc/08/65/62/874086562.db2.gz FTFGKECCJJEPNC-QGZVFWFLSA-N 1 2 399.498 3.914 20 30 GHEDLO CC(=[NH+]Nc1ccnc(Br)c1)c1c(F)cccc1N1CCOCC1 ZINC000769810862 874302238 /nfs/dbraw/zinc/30/22/38/874302238.db2.gz PSSYTGCGDXNWOA-UHFFFAOYSA-N 1 2 393.260 3.656 20 30 GHEDLO CC(C)(C)OC(=O)NCc1ccc(C(N)=[NH+]OCc2cccc(F)c2F)cc1 ZINC000769842789 874321666 /nfs/dbraw/zinc/32/16/66/874321666.db2.gz JESQWURPDVXACB-UHFFFAOYSA-N 1 2 391.418 3.827 20 30 GHEDLO N#CCc1ccc(OCc2ccccc2NC(=O)NCc2ccc[nH+]c2N)cc1 ZINC001198666037 874568350 /nfs/dbraw/zinc/56/83/50/874568350.db2.gz ISCAGYBVQKHKOA-UHFFFAOYSA-N 1 2 387.443 3.631 20 30 GHEDLO N#Cc1cccc(OC2CC[NH+](Cn3c(=O)oc4cc(Cl)ccc43)CC2)c1 ZINC000104654199 874611192 /nfs/dbraw/zinc/61/11/92/874611192.db2.gz JBDRWYOEJCVEHN-UHFFFAOYSA-N 1 2 383.835 3.620 20 30 GHEDLO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3cc(Cl)sc3Cl)C2=O)cc1 ZINC000449284375 874668755 /nfs/dbraw/zinc/66/87/55/874668755.db2.gz NZNCDWJJMRYYAP-AWEZNQCLSA-N 1 2 380.300 3.817 20 30 GHEDLO C=CCOc1cccc(NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)c1 ZINC001198966769 874731090 /nfs/dbraw/zinc/73/10/90/874731090.db2.gz YPDUKUZOUZPZRW-UHFFFAOYSA-N 1 2 384.505 3.521 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c(C(F)(F)F)c1 ZINC000449426509 874843126 /nfs/dbraw/zinc/84/31/26/874843126.db2.gz VBULIIYINWEOCY-RBUKOAKNSA-N 1 2 378.369 3.877 20 30 GHEDLO N#Cc1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c(C(F)(F)F)c1 ZINC000449426509 874843134 /nfs/dbraw/zinc/84/31/34/874843134.db2.gz VBULIIYINWEOCY-RBUKOAKNSA-N 1 2 378.369 3.877 20 30 GHEDLO COc1ccc(Br)c([C@@H](CO)[N@H+](C)Cc2ccc(C#N)c(C)c2)c1 ZINC000449473208 874906438 /nfs/dbraw/zinc/90/64/38/874906438.db2.gz RLWKVQAPJIBPQY-LJQANCHMSA-N 1 2 389.293 3.803 20 30 GHEDLO COc1ccc(Br)c([C@@H](CO)[N@@H+](C)Cc2ccc(C#N)c(C)c2)c1 ZINC000449473208 874906446 /nfs/dbraw/zinc/90/64/46/874906446.db2.gz RLWKVQAPJIBPQY-LJQANCHMSA-N 1 2 389.293 3.803 20 30 GHEDLO FC(F)(F)c1cc(N=NCc2cccc3[nH+]ccn32)nc(-c2ccccn2)n1 ZINC000771101838 875040373 /nfs/dbraw/zinc/04/03/73/875040373.db2.gz XVEYWORYEZJAQV-UHFFFAOYSA-N 1 2 383.337 3.651 20 30 GHEDLO Cc1ccc(C(=O)CCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000029983928 875763015 /nfs/dbraw/zinc/76/30/15/875763015.db2.gz FKDDSJXZMVAIFW-UHFFFAOYSA-N 1 2 389.499 3.564 20 30 GHEDLO Cc1ccc(C(=O)CCC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000029983928 875763027 /nfs/dbraw/zinc/76/30/27/875763027.db2.gz FKDDSJXZMVAIFW-UHFFFAOYSA-N 1 2 389.499 3.564 20 30 GHEDLO COCc1ccc(NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cc1C#N ZINC000529213070 875837468 /nfs/dbraw/zinc/83/74/68/875837468.db2.gz NVIWINKBXCYXMY-OAHLLOKOSA-N 1 2 384.505 3.677 20 30 GHEDLO C=CCn1c(=S)n(C[N@@H+]2CCC[C@H]2Cc2ccccc2)nc1-c1cnccn1 ZINC000151736906 875878238 /nfs/dbraw/zinc/87/82/38/875878238.db2.gz NPEQEYJJQNJIAU-SFHVURJKSA-N 1 2 392.532 3.722 20 30 GHEDLO C=CCn1c(=S)n(C[N@H+]2CCC[C@H]2Cc2ccccc2)nc1-c1cnccn1 ZINC000151736906 875878243 /nfs/dbraw/zinc/87/82/43/875878243.db2.gz NPEQEYJJQNJIAU-SFHVURJKSA-N 1 2 392.532 3.722 20 30 GHEDLO N#Cc1ccc(N2CCN(c3[nH+]ccc4cc(C(F)(F)F)ccc43)CC2)nc1 ZINC000450268884 876195679 /nfs/dbraw/zinc/19/56/79/876195679.db2.gz IXJJRZQIFJISSP-UHFFFAOYSA-N 1 2 383.377 3.847 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3c[nH]cc3-c3ccc(F)cc3)CC2)cc1 ZINC000460818110 876541307 /nfs/dbraw/zinc/54/13/07/876541307.db2.gz OUZFDFFIQWXUOX-UHFFFAOYSA-N 1 2 388.446 3.650 20 30 GHEDLO CCc1ccc(C[NH+]2CCN(C(=O)Nc3cc(C#N)ccc3OC)CC2)s1 ZINC000610016569 877301867 /nfs/dbraw/zinc/30/18/67/877301867.db2.gz AOHQGGYLTVQIPA-UHFFFAOYSA-N 1 2 384.505 3.540 20 30 GHEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000451551779 878131811 /nfs/dbraw/zinc/13/18/11/878131811.db2.gz VHCAJBYLDOPCSB-AEFFLSMTSA-N 1 2 396.472 3.513 20 30 GHEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000451551779 878131823 /nfs/dbraw/zinc/13/18/23/878131823.db2.gz VHCAJBYLDOPCSB-AEFFLSMTSA-N 1 2 396.472 3.513 20 30 GHEDLO N#CCOc1cc(F)ccc1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000788633946 878224843 /nfs/dbraw/zinc/22/48/43/878224843.db2.gz DUQZCWJMNYKHHC-UHFFFAOYSA-N 1 2 397.454 3.672 20 30 GHEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000852333815 878253156 /nfs/dbraw/zinc/25/31/56/878253156.db2.gz WAGPCTIAFVWVFX-IEBWSBKVSA-N 1 2 375.394 3.691 20 30 GHEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000852333815 878253174 /nfs/dbraw/zinc/25/31/74/878253174.db2.gz WAGPCTIAFVWVFX-IEBWSBKVSA-N 1 2 375.394 3.691 20 30 GHEDLO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000068322366 878330365 /nfs/dbraw/zinc/33/03/65/878330365.db2.gz VUGABIZYAWLVCA-CQSZACIVSA-N 1 2 395.413 3.654 20 30 GHEDLO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000068322366 878330372 /nfs/dbraw/zinc/33/03/72/878330372.db2.gz VUGABIZYAWLVCA-CQSZACIVSA-N 1 2 395.413 3.654 20 30 GHEDLO COc1ccc2c(c1)CC[N@@H+](CC(=O)[C@@H](C#N)c1nc3ccccc3s1)C2 ZINC000852551229 878421021 /nfs/dbraw/zinc/42/10/21/878421021.db2.gz QWWLERIGONZRON-QGZVFWFLSA-N 1 2 377.469 3.539 20 30 GHEDLO COc1ccc2c(c1)CC[N@H+](CC(=O)[C@@H](C#N)c1nc3ccccc3s1)C2 ZINC000852551229 878421024 /nfs/dbraw/zinc/42/10/24/878421024.db2.gz QWWLERIGONZRON-QGZVFWFLSA-N 1 2 377.469 3.539 20 30 GHEDLO N#Cc1cccc(OC2CC[NH+](Cc3cn(-c4ccc(Cl)cc4)nn3)CC2)c1 ZINC000466809216 912375053 /nfs/dbraw/zinc/37/50/53/912375053.db2.gz MIDMJKVEDYXFLB-UHFFFAOYSA-N 1 2 393.878 3.836 20 30 GHEDLO C#CCCCOc1ccc[nH+]c1N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000853474073 879044683 /nfs/dbraw/zinc/04/46/83/879044683.db2.gz VCQCVULNXKABDF-GOSISDBHSA-N 1 2 391.450 3.698 20 30 GHEDLO Cn1cc(-c2ccnc(C3CC[NH+](Cc4ccc(Cl)cc4C#N)CC3)n2)cn1 ZINC000854102432 879534964 /nfs/dbraw/zinc/53/49/64/879534964.db2.gz QWJMYGMZEPGCBG-UHFFFAOYSA-N 1 2 392.894 3.782 20 30 GHEDLO N#C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000531354619 879683686 /nfs/dbraw/zinc/68/36/86/879683686.db2.gz IBCSDKRZGRYEBR-KRWDZBQOSA-N 1 2 386.333 3.766 20 30 GHEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+](CCOC)[C@@H]2CC[C@H](C)C2)c1=S ZINC000790478152 879749800 /nfs/dbraw/zinc/74/98/00/879749800.db2.gz JWRQXKXYTWDGJW-DLBZAZTESA-N 1 2 387.553 3.757 20 30 GHEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+](CCOC)[C@@H]2CC[C@H](C)C2)c1=S ZINC000790478152 879749814 /nfs/dbraw/zinc/74/98/14/879749814.db2.gz JWRQXKXYTWDGJW-DLBZAZTESA-N 1 2 387.553 3.757 20 30 GHEDLO C[C@H]1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000531580892 880152596 /nfs/dbraw/zinc/15/25/96/880152596.db2.gz XOBLEGGQNAJETR-JXFKEZNVSA-N 1 2 387.443 3.665 20 30 GHEDLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000791365787 880374384 /nfs/dbraw/zinc/37/43/84/880374384.db2.gz NLUSEZLHEOZOET-QFIPXVFZSA-N 1 2 386.455 3.765 20 30 GHEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](Cc2cccc3nsnc32)CC1 ZINC000791619774 880545716 /nfs/dbraw/zinc/54/57/16/880545716.db2.gz NXCLRMQANOHQGE-GOSISDBHSA-N 1 2 383.908 3.727 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)Cc2ccccc2CC#N)C[C@H](C)O1 ZINC000776830693 880730810 /nfs/dbraw/zinc/73/08/10/880730810.db2.gz UCKVXSRHPGKRIK-HDICACEKSA-N 1 2 377.488 3.543 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)Cc2ccccc2CC#N)C[C@H](C)O1 ZINC000776830693 880730821 /nfs/dbraw/zinc/73/08/21/880730821.db2.gz UCKVXSRHPGKRIK-HDICACEKSA-N 1 2 377.488 3.543 20 30 GHEDLO CCn1cc([C@@H](O)C[N@H+](Cc2ccccc2)Cc2cc(F)ccc2C#N)cn1 ZINC000792374462 881061594 /nfs/dbraw/zinc/06/15/94/881061594.db2.gz BXUUENUGWMIMBL-QFIPXVFZSA-N 1 2 378.451 3.650 20 30 GHEDLO CCn1cc([C@@H](O)C[N@@H+](Cc2ccccc2)Cc2cc(F)ccc2C#N)cn1 ZINC000792374462 881061605 /nfs/dbraw/zinc/06/16/05/881061605.db2.gz BXUUENUGWMIMBL-QFIPXVFZSA-N 1 2 378.451 3.650 20 30 GHEDLO CC(C)CO[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000119706056 881112966 /nfs/dbraw/zinc/11/29/66/881112966.db2.gz DGDZUAUHQQBLMZ-DLBZAZTESA-N 1 2 375.538 3.624 20 30 GHEDLO CC(C)CO[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000119706056 881112975 /nfs/dbraw/zinc/11/29/75/881112975.db2.gz DGDZUAUHQQBLMZ-DLBZAZTESA-N 1 2 375.538 3.624 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)Cc2c(F)cccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000556942555 881158222 /nfs/dbraw/zinc/15/82/22/881158222.db2.gz CIYHBEGHXIZQLQ-QUCCMNQESA-N 1 2 389.833 3.594 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)Cc2c(F)cccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000556942555 881158231 /nfs/dbraw/zinc/15/82/31/881158231.db2.gz CIYHBEGHXIZQLQ-QUCCMNQESA-N 1 2 389.833 3.594 20 30 GHEDLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)c(OC)c1 ZINC000193193109 883154312 /nfs/dbraw/zinc/15/43/12/883154312.db2.gz UNULVMZDEINOKZ-INIZCTEOSA-N 1 2 399.466 3.610 20 30 GHEDLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)c(OC)c1 ZINC000193193109 883154322 /nfs/dbraw/zinc/15/43/22/883154322.db2.gz UNULVMZDEINOKZ-INIZCTEOSA-N 1 2 399.466 3.610 20 30 GHEDLO Cc1nc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)sc1SCC#N ZINC000609492134 883255948 /nfs/dbraw/zinc/25/59/48/883255948.db2.gz DOGCSYLWICDAAQ-CYBMUJFWSA-N 1 2 380.926 3.962 20 30 GHEDLO C[C@H](C(=O)N[C@H](C#N)c1ccccc1Br)[N@@H+]1CCc2ccccc2C1 ZINC000609875969 883765433 /nfs/dbraw/zinc/76/54/33/883765433.db2.gz LBBKBFSCGKLEQW-AUUYWEPGSA-N 1 2 398.304 3.577 20 30 GHEDLO C[C@H](C(=O)N[C@H](C#N)c1ccccc1Br)[N@H+]1CCc2ccccc2C1 ZINC000609875969 883765445 /nfs/dbraw/zinc/76/54/45/883765445.db2.gz LBBKBFSCGKLEQW-AUUYWEPGSA-N 1 2 398.304 3.577 20 30 GHEDLO O[C@]1(C(F)(F)F)CC[N@H+](Cc2ncc(C(F)(F)F)cc2Cl)CC[C@@H]1F ZINC001142539148 884611882 /nfs/dbraw/zinc/61/18/82/884611882.db2.gz VLPSNGKQMLABNV-NWDGAFQWSA-N 1 2 394.718 3.981 20 30 GHEDLO O[C@]1(C(F)(F)F)CC[N@@H+](Cc2ncc(C(F)(F)F)cc2Cl)CC[C@@H]1F ZINC001142539148 884611887 /nfs/dbraw/zinc/61/18/87/884611887.db2.gz VLPSNGKQMLABNV-NWDGAFQWSA-N 1 2 394.718 3.981 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)NCCc1ccc2[nH]ccc2c1 ZINC001183841711 912846841 /nfs/dbraw/zinc/84/68/41/912846841.db2.gz OPQRZVRAWVJHAP-HSZRJFAPSA-N 1 2 386.499 3.753 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)NCCc1ccc2[nH]ccc2c1 ZINC001183841711 912846860 /nfs/dbraw/zinc/84/68/60/912846860.db2.gz OPQRZVRAWVJHAP-HSZRJFAPSA-N 1 2 386.499 3.753 20 30 GHEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCc2ccc(Br)cc2C1 ZINC000556544033 885292738 /nfs/dbraw/zinc/29/27/38/885292738.db2.gz JHXLNWJHBHCGIX-UHFFFAOYSA-N 1 2 387.277 3.766 20 30 GHEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCc2ccc(Br)cc2C1 ZINC000556544033 885292758 /nfs/dbraw/zinc/29/27/58/885292758.db2.gz JHXLNWJHBHCGIX-UHFFFAOYSA-N 1 2 387.277 3.766 20 30 GHEDLO CCCCCCCNC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000861922933 885996771 /nfs/dbraw/zinc/99/67/71/885996771.db2.gz DVXOAGLWSDSKLZ-UHFFFAOYSA-N 1 2 382.508 3.912 20 30 GHEDLO N#Cc1c(NC(=O)CC[N@@H+]2CCOC[C@H]2c2ccccc2)sc2c1CCCC2 ZINC000532590181 886203354 /nfs/dbraw/zinc/20/33/54/886203354.db2.gz WEASBQJINQSRBY-IBGZPJMESA-N 1 2 395.528 3.901 20 30 GHEDLO N#Cc1c(NC(=O)CC[N@H+]2CCOC[C@H]2c2ccccc2)sc2c1CCCC2 ZINC000532590181 886203370 /nfs/dbraw/zinc/20/33/70/886203370.db2.gz WEASBQJINQSRBY-IBGZPJMESA-N 1 2 395.528 3.901 20 30 GHEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000056301116 886250150 /nfs/dbraw/zinc/25/01/50/886250150.db2.gz JZEZVXNBKINDIA-UHFFFAOYSA-N 1 2 386.455 3.939 20 30 GHEDLO CC[C@H]([NH2+][C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1nc(C(F)(F)F)cs1 ZINC000542563949 886328960 /nfs/dbraw/zinc/32/89/60/886328960.db2.gz QLXZBMYXOCHRIA-ZETOZRRWSA-N 1 2 376.448 3.646 20 30 GHEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3ccc(Br)s3)C2)CC1 ZINC001137641293 886632985 /nfs/dbraw/zinc/63/29/85/886632985.db2.gz UXFYZVSVEZMTQZ-UHFFFAOYSA-N 1 2 385.327 3.731 20 30 GHEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CC=C(c3ccccc3C(F)(F)F)CC2)cc1 ZINC000153625749 886805313 /nfs/dbraw/zinc/80/53/13/886805313.db2.gz AOJYDXCPQAFNOO-IBGZPJMESA-N 1 2 385.389 3.893 20 30 GHEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CC=C(c3ccccc3C(F)(F)F)CC2)cc1 ZINC000153625749 886805326 /nfs/dbraw/zinc/80/53/26/886805326.db2.gz AOJYDXCPQAFNOO-IBGZPJMESA-N 1 2 385.389 3.893 20 30 GHEDLO C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccc(C#N)cc1 ZINC000536534193 886835844 /nfs/dbraw/zinc/83/58/44/886835844.db2.gz SACVMAYSSVFYBT-SVIJTADQSA-N 1 2 384.430 3.642 20 30 GHEDLO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccc(C#N)cc1 ZINC000536534193 886835859 /nfs/dbraw/zinc/83/58/59/886835859.db2.gz SACVMAYSSVFYBT-SVIJTADQSA-N 1 2 384.430 3.642 20 30 GHEDLO N#Cc1cccc(OC2CC[NH+](CN3C[C@@H](c4ccccc4)OC3=O)CC2)c1 ZINC000863258548 886971689 /nfs/dbraw/zinc/97/16/89/886971689.db2.gz FEWGGAWQYLJDON-NRFANRHFSA-N 1 2 377.444 3.552 20 30 GHEDLO N#CCc1cccc2c1CC[N@@H+](Cn1c3cc([N+](=O)[O-])ccc3oc1=S)C2 ZINC000863335922 887038868 /nfs/dbraw/zinc/03/88/68/887038868.db2.gz MORYGXSEFYRUHK-UHFFFAOYSA-N 1 2 380.429 3.954 20 30 GHEDLO N#CCc1cccc2c1CC[N@H+](Cn1c3cc([N+](=O)[O-])ccc3oc1=S)C2 ZINC000863335922 887038873 /nfs/dbraw/zinc/03/88/73/887038873.db2.gz MORYGXSEFYRUHK-UHFFFAOYSA-N 1 2 380.429 3.954 20 30 GHEDLO CN(C)c1ccc(C=[NH+]Nc2cccc(S(C)(=O)=O)c2)c(C(F)(F)F)c1 ZINC000794526106 887095619 /nfs/dbraw/zinc/09/56/19/887095619.db2.gz HBWJJAISSYGVPS-UHFFFAOYSA-N 1 2 385.411 3.621 20 30 GHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)OCCCOc1ccc(C#N)cc1 ZINC000796004209 913163402 /nfs/dbraw/zinc/16/34/02/913163402.db2.gz UJECHRDGLDZYAY-UHFFFAOYSA-N 1 2 385.370 3.507 20 30 GHEDLO C[NH+](C)Cc1cnc(/C=C2\Cc3c(cc(Br)cc3F)C2=O)s1 ZINC000794708036 887924297 /nfs/dbraw/zinc/92/42/97/887924297.db2.gz PVQDGXYGJDAWKY-RUDMXATFSA-N 1 2 381.270 3.929 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000609233787 888136357 /nfs/dbraw/zinc/13/63/57/888136357.db2.gz ICLGPBBSSDXDBE-BEFAXECRSA-N 1 2 395.528 3.899 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000609233787 888136359 /nfs/dbraw/zinc/13/63/59/888136359.db2.gz ICLGPBBSSDXDBE-BEFAXECRSA-N 1 2 395.528 3.899 20 30 GHEDLO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc32)C1 ZINC000810531550 888604372 /nfs/dbraw/zinc/60/43/72/888604372.db2.gz MZZJOSCPERNDTB-VGOFRKELSA-N 1 2 381.451 3.700 20 30 GHEDLO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc32)C1 ZINC000810531550 888604380 /nfs/dbraw/zinc/60/43/80/888604380.db2.gz MZZJOSCPERNDTB-VGOFRKELSA-N 1 2 381.451 3.700 20 30 GHEDLO N#C[C@@H](COC(=O)Cc1c[nH+]cn1Cc1ccccc1)Cc1ccc(F)cc1 ZINC000810555222 888614578 /nfs/dbraw/zinc/61/45/78/888614578.db2.gz CDMQFDIJKSUGHS-IBGZPJMESA-N 1 2 377.419 3.539 20 30 GHEDLO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3ccc(O[C@H](C)C#N)cc3)n2)c1 ZINC000237352015 888689172 /nfs/dbraw/zinc/68/91/72/888689172.db2.gz ORXMMXJDAHLDHZ-HUUCEWRRSA-N 1 2 378.432 3.887 20 30 GHEDLO CCc1ccc2c(C[NH+]3CCN([C@H](C#N)c4ccccc4)CC3)cc(=O)oc2c1 ZINC000153858926 888755674 /nfs/dbraw/zinc/75/56/74/888755674.db2.gz BALXCMPZILNUBJ-JOCHJYFZSA-N 1 2 387.483 3.738 20 30 GHEDLO COc1ccc(C[NH+]2CCN(c3ncc(C#N)c4ccsc43)CC2)cc1F ZINC001184634488 913316337 /nfs/dbraw/zinc/31/63/37/913316337.db2.gz PNPKOYSVYRGKTR-UHFFFAOYSA-N 1 2 382.464 3.638 20 30 GHEDLO Cc1cc2n(n1)c1ccccc1c(=O)n2C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000122703814 890026882 /nfs/dbraw/zinc/02/68/82/890026882.db2.gz YABPNNWWUIFTIX-UHFFFAOYSA-N 1 2 385.471 3.697 20 30 GHEDLO Cc1cc2n(n1)c1ccccc1c(=O)n2C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000122703814 890026895 /nfs/dbraw/zinc/02/68/95/890026895.db2.gz YABPNNWWUIFTIX-UHFFFAOYSA-N 1 2 385.471 3.697 20 30 GHEDLO Cn1cc(C[N@@H+]2CCc3c(ncn3-c3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000497146669 890204475 /nfs/dbraw/zinc/20/44/75/890204475.db2.gz MSCQEKWXHMXGMI-UHFFFAOYSA-N 1 2 394.482 3.703 20 30 GHEDLO Cn1cc(C[N@H+]2CCc3c(ncn3-c3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000497146669 890204485 /nfs/dbraw/zinc/20/44/85/890204485.db2.gz MSCQEKWXHMXGMI-UHFFFAOYSA-N 1 2 394.482 3.703 20 30 GHEDLO CCOc1ccc2nc(NC(=O)C[N@H+](C)Cc3cccc(C#N)c3)sc2c1 ZINC000026327321 890382667 /nfs/dbraw/zinc/38/26/67/890382667.db2.gz XXIDXEDGUPTMQD-UHFFFAOYSA-N 1 2 380.473 3.637 20 30 GHEDLO CCOc1ccc2nc(NC(=O)C[N@@H+](C)Cc3cccc(C#N)c3)sc2c1 ZINC000026327321 890382684 /nfs/dbraw/zinc/38/26/84/890382684.db2.gz XXIDXEDGUPTMQD-UHFFFAOYSA-N 1 2 380.473 3.637 20 30 GHEDLO N#C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1cccc(Br)c1 ZINC000127715212 891218894 /nfs/dbraw/zinc/21/88/94/891218894.db2.gz UYEIBCIBXTZIEN-QGZVFWFLSA-N 1 2 381.233 3.629 20 30 GHEDLO C=CCn1c(=S)n(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)nc1-c1cnccn1 ZINC000814225940 892418196 /nfs/dbraw/zinc/41/81/96/892418196.db2.gz MLLNKQTWNUKSAC-GOSISDBHSA-N 1 2 392.532 3.894 20 30 GHEDLO C=CCn1c(=S)n(C[N@H+]2CCC[C@@H](c3ccccc3)C2)nc1-c1cnccn1 ZINC000814225940 892418202 /nfs/dbraw/zinc/41/82/02/892418202.db2.gz MLLNKQTWNUKSAC-GOSISDBHSA-N 1 2 392.532 3.894 20 30 GHEDLO Cc1ccc(N2CC[N@H+](Cc3nnc(-c4cccc(C#N)c4)o3)[C@@H](C)C2)cc1C ZINC000747967187 893027515 /nfs/dbraw/zinc/02/75/15/893027515.db2.gz DQMKHXBPYMYQCC-SFHVURJKSA-N 1 2 387.487 3.936 20 30 GHEDLO Cc1ccc(N2CC[N@@H+](Cc3nnc(-c4cccc(C#N)c4)o3)[C@@H](C)C2)cc1C ZINC000747967187 893027533 /nfs/dbraw/zinc/02/75/33/893027533.db2.gz DQMKHXBPYMYQCC-SFHVURJKSA-N 1 2 387.487 3.936 20 30 GHEDLO C=CCn1cc2ccc(NC(=O)N3CCC(Nc4cccc[nH+]4)CC3)cc2n1 ZINC000933666651 893122992 /nfs/dbraw/zinc/12/29/92/893122992.db2.gz MLYHMALPTUGRIC-UHFFFAOYSA-N 1 2 376.464 3.726 20 30 GHEDLO N#CCc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(Cl)c1 ZINC000455751767 893203698 /nfs/dbraw/zinc/20/36/98/893203698.db2.gz NMTJYNXVWLOMNE-UHFFFAOYSA-N 1 2 393.878 3.627 20 30 GHEDLO COc1cc(Br)c(C[NH2+]Cc2cc(C#N)cnc2Cl)cc1OC ZINC000877024085 893442279 /nfs/dbraw/zinc/44/22/79/893442279.db2.gz PUMYUEDVRDZBFB-UHFFFAOYSA-N 1 2 396.672 3.676 20 30 GHEDLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)c2cn(CCC#N)c3ccccc23)nc1 ZINC000934345424 893560289 /nfs/dbraw/zinc/56/02/89/893560289.db2.gz DBGGBIOSVYVPJR-JOCHJYFZSA-N 1 2 388.471 3.978 20 30 GHEDLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)c2cn(CCC#N)c3ccccc23)nc1 ZINC000934345424 893560303 /nfs/dbraw/zinc/56/03/03/893560303.db2.gz DBGGBIOSVYVPJR-JOCHJYFZSA-N 1 2 388.471 3.978 20 30 GHEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000563534160 893873896 /nfs/dbraw/zinc/87/38/96/893873896.db2.gz QDPQYVVRUQUTHZ-QFIPXVFZSA-N 1 2 385.471 3.680 20 30 GHEDLO C=CCOC[C@@H]1C[N@@H+](Cc2ccccc2OC(C)C)Cc2nnn(CC3CC3)c21 ZINC001137136628 894565381 /nfs/dbraw/zinc/56/53/81/894565381.db2.gz XHZILCRKMVYOMC-FQEVSTJZSA-N 1 2 396.535 3.777 20 30 GHEDLO C=CCOC[C@@H]1C[N@H+](Cc2ccccc2OC(C)C)Cc2nnn(CC3CC3)c21 ZINC001137136628 894565386 /nfs/dbraw/zinc/56/53/86/894565386.db2.gz XHZILCRKMVYOMC-FQEVSTJZSA-N 1 2 396.535 3.777 20 30 GHEDLO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](c2ncc[nH]2)c2ccccc2)ccc1OC ZINC000127907667 895192607 /nfs/dbraw/zinc/19/26/07/895192607.db2.gz YSLHKIVYPWJZCZ-RXVVDRJESA-N 1 2 376.460 3.978 20 30 GHEDLO CC[N@@H+]1CC[C@@H](NC(=O)NCC2(CC#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000565399341 895595701 /nfs/dbraw/zinc/59/57/01/895595701.db2.gz HZPIIDFBQUJWRZ-IAGOWNOFSA-N 1 2 378.879 3.607 20 30 GHEDLO CC[N@H+]1CC[C@@H](NC(=O)NCC2(CC#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000565399341 895595708 /nfs/dbraw/zinc/59/57/08/895595708.db2.gz HZPIIDFBQUJWRZ-IAGOWNOFSA-N 1 2 378.879 3.607 20 30 GHEDLO COC(=O)c1cccc(C[NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)c1C#N ZINC000567455523 897173021 /nfs/dbraw/zinc/17/30/21/897173021.db2.gz BHZYSRACGKBXMI-SFHVURJKSA-N 1 2 392.377 3.577 20 30 GHEDLO Cc1nsc(NC(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1C#N ZINC000570610219 899435872 /nfs/dbraw/zinc/43/58/72/899435872.db2.gz BZRRATRWJAIYKO-QGZVFWFLSA-N 1 2 380.477 3.700 20 30 GHEDLO C#C[C@@H](C)Nc1nc(C[NH+]2CCCCC2)nc2sc(C(=O)OCC)c(C)c21 ZINC001186213194 914389538 /nfs/dbraw/zinc/38/95/38/914389538.db2.gz UAUDFRISBLBSTO-CYBMUJFWSA-N 1 2 386.521 3.596 20 30 GHEDLO N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N2CCn3c[nH+]cc3C2)c1 ZINC000572086582 900060784 /nfs/dbraw/zinc/06/07/84/900060784.db2.gz GRVDCTKNTOKMQA-UHFFFAOYSA-N 1 2 378.819 3.856 20 30 GHEDLO N#Cc1cncc(C[NH+]2CCC(C#N)(c3ccc(Br)cc3)CC2)c1 ZINC001144079347 901047273 /nfs/dbraw/zinc/04/72/73/901047273.db2.gz KJJOGEHMALAFGG-UHFFFAOYSA-N 1 2 381.277 3.773 20 30 GHEDLO Cc1nn(C)c(N2CCOCC2)c1C=[NH+]Nc1ccccc1Oc1ccccc1 ZINC000844616420 901078371 /nfs/dbraw/zinc/07/83/71/901078371.db2.gz LVTRDLMHWHZHET-UHFFFAOYSA-N 1 2 391.475 3.803 20 30 GHEDLO CCOC(=O)[C@@H]1c2ccc(OC)cc2CC[N@@H+]1[C@H](C)Cc1cccc(C#N)c1 ZINC001171234584 903083152 /nfs/dbraw/zinc/08/31/52/903083152.db2.gz VABMJCYLRBXQQW-ZHRRBRCNSA-N 1 2 378.472 3.660 20 30 GHEDLO CCOC(=O)[C@@H]1c2ccc(OC)cc2CC[N@H+]1[C@H](C)Cc1cccc(C#N)c1 ZINC001171234584 903083160 /nfs/dbraw/zinc/08/31/60/903083160.db2.gz VABMJCYLRBXQQW-ZHRRBRCNSA-N 1 2 378.472 3.660 20 30 GHEDLO CC(C)(C)c1nc2nc[nH]c2c(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)n1 ZINC001171275310 903474975 /nfs/dbraw/zinc/47/49/75/903474975.db2.gz XAQPLAVSKLDJFF-UHFFFAOYSA-N 1 2 389.507 3.621 20 30 GHEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000578336018 903745672 /nfs/dbraw/zinc/74/56/72/903745672.db2.gz ZFIIJACCRAEAMQ-VIFPVBQESA-N 1 2 378.192 3.688 20 30 GHEDLO N#Cc1cccc(OCc2cccc(C(=O)N3CCC(c4[nH]cc[nH+]4)CC3)c2)c1 ZINC000265283312 903774912 /nfs/dbraw/zinc/77/49/12/903774912.db2.gz YJURWVFONHMPSN-UHFFFAOYSA-N 1 2 386.455 3.880 20 30 GHEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000151383584 904119253 /nfs/dbraw/zinc/11/92/53/904119253.db2.gz YUOZMHIZBMPKTK-GHTZIAJQSA-N 1 2 377.492 3.515 20 30 GHEDLO C#Cc1ccc(NC(=O)CC[N@@H+]2CCOc3cccc(Br)c3C2)cc1 ZINC001171567464 904832764 /nfs/dbraw/zinc/83/27/64/904832764.db2.gz KOQPCNCTZIYCBE-UHFFFAOYSA-N 1 2 399.288 3.654 20 30 GHEDLO C#Cc1ccc(NC(=O)CC[N@H+]2CCOc3cccc(Br)c3C2)cc1 ZINC001171567464 904832784 /nfs/dbraw/zinc/83/27/84/904832784.db2.gz KOQPCNCTZIYCBE-UHFFFAOYSA-N 1 2 399.288 3.654 20 30 GHEDLO O=C1C[C@H]([NH2+]CC(F)(F)C(F)(F)C(F)(F)F)CCN1Cc1ccccc1 ZINC001172663603 905726775 /nfs/dbraw/zinc/72/67/75/905726775.db2.gz OWXUQBKDAUFMOF-GFCCVEGCSA-N 1 2 386.311 3.600 20 30 GHEDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000177730246 906206360 /nfs/dbraw/zinc/20/63/60/906206360.db2.gz BRGXJAQREDFNJR-SRGMZFCMSA-N 1 2 389.908 3.581 20 30 GHEDLO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000177730246 906206378 /nfs/dbraw/zinc/20/63/78/906206378.db2.gz BRGXJAQREDFNJR-SRGMZFCMSA-N 1 2 389.908 3.581 20 30 GHEDLO C[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1cccc(N2CCCC2=O)c1 ZINC000181402834 906993652 /nfs/dbraw/zinc/99/36/52/906993652.db2.gz QACKVGYMUDDGPQ-HNNXBMFYSA-N 1 2 387.443 3.586 20 30 GHEDLO CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3cccc(F)c3C#N)c[nH+]2)CC1 ZINC001174453943 907059949 /nfs/dbraw/zinc/05/99/49/907059949.db2.gz VLKMJVFJCZZTKM-UHFFFAOYSA-N 1 2 397.454 3.893 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)c1C#N ZINC000773410752 907231133 /nfs/dbraw/zinc/23/11/33/907231133.db2.gz UWTLVQSCGFPZDI-DEOSSOPVSA-N 1 2 386.499 3.998 20 30 GHEDLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000366093783 921306143 /nfs/dbraw/zinc/30/61/43/921306143.db2.gz JASLBZOZXYDEMV-HNAYVOBHSA-N 1 2 397.548 3.756 20 30 GHEDLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000366093783 921306144 /nfs/dbraw/zinc/30/61/44/921306144.db2.gz JASLBZOZXYDEMV-HNAYVOBHSA-N 1 2 397.548 3.756 20 30 GHEDLO CCc1nc([C@H](C)[NH2+]CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cs1 ZINC000184720941 907647100 /nfs/dbraw/zinc/64/71/00/907647100.db2.gz VSFZVKUMEYXYEJ-ZDUSSCGKSA-N 1 2 395.450 3.543 20 30 GHEDLO CC(=O)Nc1ccc2c(c1)C[N@H+]([C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)CC2 ZINC001175991516 907856188 /nfs/dbraw/zinc/85/61/88/907856188.db2.gz FNORACYGCRSUDD-ZDUSSCGKSA-N 1 2 396.878 3.555 20 30 GHEDLO CC(=O)Nc1ccc2c(c1)C[N@@H+]([C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)CC2 ZINC001175991516 907856206 /nfs/dbraw/zinc/85/62/06/907856206.db2.gz FNORACYGCRSUDD-ZDUSSCGKSA-N 1 2 396.878 3.555 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[NH+](Cc2ccc(Nc3cc(C#N)ccn3)cc2)CC1 ZINC001176039724 907897048 /nfs/dbraw/zinc/89/70/48/907897048.db2.gz GQCHDGKRRJYVGZ-UHFFFAOYSA-N 1 2 393.491 3.750 20 30 GHEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ncccc2OCCCC#N)CC1 ZINC000188680818 908239258 /nfs/dbraw/zinc/23/92/58/908239258.db2.gz CHITZUBFLRQTMR-MRXNPFEDSA-N 1 2 399.520 3.736 20 30 GHEDLO N#Cc1ccc(CC2CCN(C(=O)[C@H]3CCCN(c4cccc[nH+]4)C3)CC2)cc1 ZINC001176960417 908328717 /nfs/dbraw/zinc/32/87/17/908328717.db2.gz DHSDNMHHOFVNKM-QFIPXVFZSA-N 1 2 388.515 3.651 20 30 GHEDLO C=CCNc1ncc(C(=O)NCCN(Cc2ccccc2)c2cccc[nH+]2)s1 ZINC001177216021 908469304 /nfs/dbraw/zinc/46/93/04/908469304.db2.gz LLEUZZDYGDKMAS-UHFFFAOYSA-N 1 2 393.516 3.573 20 30 GHEDLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N[C@@H](c1cc(F)ccc1F)C(F)F ZINC000635868460 909366281 /nfs/dbraw/zinc/36/62/81/909366281.db2.gz DWJWPHSSVLUKBF-AAEUAGOBSA-N 1 2 383.267 3.777 20 30 GHEDLO COc1cc(C[N@H+](C)CC(=O)Nc2ccccc2S[C@@H](C)CC#N)ccc1O ZINC000267406380 909485257 /nfs/dbraw/zinc/48/52/57/909485257.db2.gz RZJKYYMWWFSLID-HNNXBMFYSA-N 1 2 399.516 3.866 20 30 GHEDLO COc1cc(C[N@@H+](C)CC(=O)Nc2ccccc2S[C@@H](C)CC#N)ccc1O ZINC000267406380 909485263 /nfs/dbraw/zinc/48/52/63/909485263.db2.gz RZJKYYMWWFSLID-HNNXBMFYSA-N 1 2 399.516 3.866 20 30 GHEDLO Cc1cc(NC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)nn1CCC#N ZINC000291528283 915230735 /nfs/dbraw/zinc/23/07/35/915230735.db2.gz QQZWXFDFTYQNQB-UHFFFAOYSA-N 1 2 389.463 3.949 20 30 GHEDLO CCOc1ccc(NC(=O)[C@H](C)O[NH+]=C(N)Cc2ccccc2Cl)cc1 ZINC000097571158 915702322 /nfs/dbraw/zinc/70/23/22/915702322.db2.gz BTFPRAUFAMKCQX-ZDUSSCGKSA-N 1 2 375.856 3.597 20 30 GHEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(F)ccc1Br ZINC001275722316 916383564 /nfs/dbraw/zinc/38/35/64/916383564.db2.gz NONYNWOHIVTYPL-GOSISDBHSA-N 1 2 381.289 3.731 20 30 GHEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)ccc1Br ZINC001275722316 916383582 /nfs/dbraw/zinc/38/35/82/916383582.db2.gz NONYNWOHIVTYPL-GOSISDBHSA-N 1 2 381.289 3.731 20 30 GHEDLO CCCCCCCCNC(=O)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001191060506 917731311 /nfs/dbraw/zinc/73/13/11/917731311.db2.gz WPKSAYAGAFOATL-IBGZPJMESA-N 1 2 376.545 3.812 20 30 GHEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000296059124 917804129 /nfs/dbraw/zinc/80/41/29/917804129.db2.gz UPEUPGBVSZFFAO-KRWDZBQOSA-N 1 2 378.451 3.645 20 30 GHEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC=C(c2cccnc2)C1 ZINC000296059124 917804141 /nfs/dbraw/zinc/80/41/41/917804141.db2.gz UPEUPGBVSZFFAO-KRWDZBQOSA-N 1 2 378.451 3.645 20 30 GHEDLO C[N@H+](CC(=O)Nc1ccccc1SCC#N)[C@@H](CO)c1ccc(Cl)cc1 ZINC000296146498 917905527 /nfs/dbraw/zinc/90/55/27/917905527.db2.gz GOHYPTZVGAUAIV-KRWDZBQOSA-N 1 2 389.908 3.560 20 30 GHEDLO C[N@@H+](CC(=O)Nc1ccccc1SCC#N)[C@@H](CO)c1ccc(Cl)cc1 ZINC000296146498 917905537 /nfs/dbraw/zinc/90/55/37/917905537.db2.gz GOHYPTZVGAUAIV-KRWDZBQOSA-N 1 2 389.908 3.560 20 30 GHEDLO C#CC[N@@H+](CC)CC(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)OCC ZINC001191390218 917951835 /nfs/dbraw/zinc/95/18/35/917951835.db2.gz JNIGJQUYQMXUJF-UHFFFAOYSA-N 1 2 384.501 3.794 20 30 GHEDLO C#CC[N@H+](CC)CC(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)OCC ZINC001191390218 917951847 /nfs/dbraw/zinc/95/18/47/917951847.db2.gz JNIGJQUYQMXUJF-UHFFFAOYSA-N 1 2 384.501 3.794 20 30 GHEDLO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C(=O)NC2CC2)c2ccc(F)cc2)c1 ZINC000113952403 919382954 /nfs/dbraw/zinc/38/29/54/919382954.db2.gz RLOUNXQFOAVJPU-PZJWPPBQSA-N 1 2 381.451 3.616 20 30 GHEDLO Cc1noc([C@@H]2CCC[N@H+]2CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)n1 ZINC000298019175 920086564 /nfs/dbraw/zinc/08/65/64/920086564.db2.gz BABQGDXZTIANRQ-LRDDRELGSA-N 1 2 399.520 3.602 20 30 GHEDLO Cc1noc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)n1 ZINC000298019175 920086574 /nfs/dbraw/zinc/08/65/74/920086574.db2.gz BABQGDXZTIANRQ-LRDDRELGSA-N 1 2 399.520 3.602 20 30 GHEDLO CC[C@@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2ccc(C#N)cc2Br)C1=O ZINC001275980315 920695107 /nfs/dbraw/zinc/69/51/07/920695107.db2.gz QZEGDHFIEDATKW-AUUYWEPGSA-N 1 2 390.325 3.686 20 30 GHEDLO CC[C@@H](C)N1CC[C@]2(CCC[N@H+]2Cc2ccc(C#N)cc2Br)C1=O ZINC001275980315 920695113 /nfs/dbraw/zinc/69/51/13/920695113.db2.gz QZEGDHFIEDATKW-AUUYWEPGSA-N 1 2 390.325 3.686 20 30 GHEDLO Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000368445043 922678108 /nfs/dbraw/zinc/67/81/08/922678108.db2.gz HNXOWHFASHBKMD-IBGZPJMESA-N 1 2 388.446 3.998 20 30 GHEDLO CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1 ZINC000370309333 924026253 /nfs/dbraw/zinc/02/62/53/924026253.db2.gz SJPMDSDNTKHVSD-OALUTQOASA-N 1 2 390.531 3.767 20 30 GHEDLO Cc1sc2nc([C@H](C)[NH+]3CCC(C#N)(c4ccccn4)CC3)nc(N)c2c1C ZINC000370316654 924030774 /nfs/dbraw/zinc/03/07/74/924030774.db2.gz SRYPOYRWCQSAMY-AWEZNQCLSA-N 1 2 392.532 3.904 20 30 GHEDLO O=S(=O)(Nc1ccccc1)[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000679831370 925278785 /nfs/dbraw/zinc/27/87/85/925278785.db2.gz WSVUOVANROSWOR-FQEVSTJZSA-N 1 2 388.920 3.598 20 30 GHEDLO O=S(=O)(Nc1ccccc1)[C@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000679831370 925278791 /nfs/dbraw/zinc/27/87/91/925278791.db2.gz WSVUOVANROSWOR-FQEVSTJZSA-N 1 2 388.920 3.598 20 30 GHEDLO C=CCNC(=O)c1cccc(-c2noc(-c3cccc(Cn4cc[nH+]c4)c3)n2)c1 ZINC000680732391 925583222 /nfs/dbraw/zinc/58/32/22/925583222.db2.gz YQXFXFBGCKTENM-UHFFFAOYSA-N 1 2 385.427 3.564 20 30 GHEDLO C[N@@H+](Cc1ccc2ccccc2c1)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000725765521 926430301 /nfs/dbraw/zinc/43/03/01/926430301.db2.gz OIFXAQMAOXYRAP-XMMPIXPASA-N 1 2 398.466 3.568 20 30 GHEDLO C[N@H+](Cc1ccc2ccccc2c1)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000725765521 926430310 /nfs/dbraw/zinc/43/03/10/926430310.db2.gz OIFXAQMAOXYRAP-XMMPIXPASA-N 1 2 398.466 3.568 20 30 GHEDLO COC(=O)c1coc(CO[NH+]=C(N)c2ccc(COc3ccccc3F)cc2)c1 ZINC000726596950 926751230 /nfs/dbraw/zinc/75/12/30/926751230.db2.gz MAUTYNHCVGWONQ-UHFFFAOYSA-N 1 2 398.390 3.621 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411949483 926939927 /nfs/dbraw/zinc/93/99/27/926939927.db2.gz QQLZWLTYMXABHT-YVWKXTFCSA-N 1 2 395.528 3.685 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411949483 926939936 /nfs/dbraw/zinc/93/99/36/926939936.db2.gz QQLZWLTYMXABHT-YVWKXTFCSA-N 1 2 395.528 3.685 20 30 GHEDLO N#Cc1cc2ccccc2nc1N1CC[NH+]([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000750028932 927396801 /nfs/dbraw/zinc/39/68/01/927396801.db2.gz BOFDPHCUBCRQPF-OAQYLSRUSA-N 1 2 392.890 3.615 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000544439961 929184499 /nfs/dbraw/zinc/18/44/99/929184499.db2.gz GGNBTBLIUMAEKY-NUJGCVRESA-N 1 2 389.565 3.606 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000544439961 929184504 /nfs/dbraw/zinc/18/45/04/929184504.db2.gz GGNBTBLIUMAEKY-NUJGCVRESA-N 1 2 389.565 3.606 20 30 GHEDLO COc1cccc(-c2nn(C(C)(C)C)cc2C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)c1 ZINC000753930908 929598838 /nfs/dbraw/zinc/59/88/38/929598838.db2.gz XFIRVCQNBXMGPB-OALUTQOASA-N 1 2 394.523 3.508 20 30 GHEDLO C[C@H](CCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000545960647 929722759 /nfs/dbraw/zinc/72/27/59/929722759.db2.gz NMNUAZPTGLDGRG-LJQANCHMSA-N 1 2 376.504 3.579 20 30 GHEDLO N#CC1(NC(=O)C[N@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)CCCCC1 ZINC000470015327 930315653 /nfs/dbraw/zinc/31/56/53/930315653.db2.gz NNAHDKIXGKFVKA-HNNXBMFYSA-N 1 2 396.318 3.789 20 30 GHEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)CCCCC1 ZINC000470015327 930315659 /nfs/dbraw/zinc/31/56/59/930315659.db2.gz NNAHDKIXGKFVKA-HNNXBMFYSA-N 1 2 396.318 3.789 20 30 GHEDLO C=CCn1c2nn(C[N@H+]3CCC[C@H](C(C)C)C3)c(=S)n2c2ccccc2c1=O ZINC000780499499 930534724 /nfs/dbraw/zinc/53/47/24/930534724.db2.gz SJHUGNBDXYLWHN-INIZCTEOSA-N 1 2 397.548 3.692 20 30 GHEDLO C=CCn1c2nn(C[N@@H+]3CCC[C@H](C(C)C)C3)c(=S)n2c2ccccc2c1=O ZINC000780499499 930534729 /nfs/dbraw/zinc/53/47/29/930534729.db2.gz SJHUGNBDXYLWHN-INIZCTEOSA-N 1 2 397.548 3.692 20 30 GHEDLO C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000780577799 930551533 /nfs/dbraw/zinc/55/15/33/930551533.db2.gz SLYORCKOBRHIDR-MRXNPFEDSA-N 1 2 391.431 3.897 20 30 GHEDLO C=CCn1c(SCc2cc[nH+]c(N(C)C)c2)nnc1-c1ccc(OC)cc1 ZINC000782110570 931093736 /nfs/dbraw/zinc/09/37/36/931093736.db2.gz MLEGZHVZTQIPJZ-UHFFFAOYSA-N 1 2 381.505 3.893 20 30 GHEDLO Cc1ccc(NC(=O)CO[NH+]=C(N)c2ccc(Br)cc2)c(Cl)c1 ZINC000782949784 931373043 /nfs/dbraw/zinc/37/30/43/931373043.db2.gz ZWPLYNLVWCQEFT-UHFFFAOYSA-N 1 2 396.672 3.687 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+]2CC[C@H](c3cccc(C)c3)C2)c1=S ZINC000784024495 931758534 /nfs/dbraw/zinc/75/85/34/931758534.db2.gz AAHQCNPOZIOSJT-SFHVURJKSA-N 1 2 392.532 3.813 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+]2CC[C@H](c3cccc(C)c3)C2)c1=S ZINC000784024495 931758541 /nfs/dbraw/zinc/75/85/41/931758541.db2.gz AAHQCNPOZIOSJT-SFHVURJKSA-N 1 2 392.532 3.813 20 30 GHEDLO C[N@@H+]1CCO[C@@H]([C@@H](Nc2ccc(C#N)c([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000558597299 932096069 /nfs/dbraw/zinc/09/60/69/932096069.db2.gz SGAZKKFFQAVPOB-MOPGFXCFSA-N 1 2 386.839 3.604 20 30 GHEDLO C[N@H+]1CCO[C@@H]([C@@H](Nc2ccc(C#N)c([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000558597299 932096078 /nfs/dbraw/zinc/09/60/78/932096078.db2.gz SGAZKKFFQAVPOB-MOPGFXCFSA-N 1 2 386.839 3.604 20 30 GHEDLO Cc1ccc(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)cc1C#N ZINC000799332386 932954334 /nfs/dbraw/zinc/95/43/34/932954334.db2.gz CLVXEZUIVMOIKA-UHFFFAOYSA-N 1 2 384.443 3.756 20 30 GHEDLO CCOc1ccc2c(c1)C[N@H+]([C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)CC2 ZINC001116075044 933321121 /nfs/dbraw/zinc/32/11/21/933321121.db2.gz WIZLKQCESPKMQJ-QGZVFWFLSA-N 1 2 395.478 3.918 20 30 GHEDLO CCOc1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)CC2 ZINC001116075044 933321133 /nfs/dbraw/zinc/32/11/33/933321133.db2.gz WIZLKQCESPKMQJ-QGZVFWFLSA-N 1 2 395.478 3.918 20 30 GHEDLO CCC(CC)[C@@H]1C[C@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])CCO1 ZINC000777872617 933799576 /nfs/dbraw/zinc/79/95/76/933799576.db2.gz XSGYTUHNVOWNFR-UZLBHIALSA-N 1 2 396.535 3.630 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)CC#Cc2ccccc2)[C@H](C)C1 ZINC001116909509 933823813 /nfs/dbraw/zinc/82/38/13/933823813.db2.gz WXIQNQKQZBLATE-HXUWFJFHSA-N 1 2 376.500 3.560 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)CC#Cc2ccccc2)[C@H](C)C1 ZINC001116909509 933823815 /nfs/dbraw/zinc/82/38/15/933823815.db2.gz WXIQNQKQZBLATE-HXUWFJFHSA-N 1 2 376.500 3.560 20 30 GHEDLO C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2c2nccc(C(F)(F)F)n2)cc1 ZINC000930970762 934319612 /nfs/dbraw/zinc/31/96/12/934319612.db2.gz HKVTUEFSZIDEQG-MRXNPFEDSA-N 1 2 388.393 3.642 20 30 GHEDLO C#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2c2nccc(C(F)(F)F)n2)cc1 ZINC000930970762 934319621 /nfs/dbraw/zinc/31/96/21/934319621.db2.gz HKVTUEFSZIDEQG-MRXNPFEDSA-N 1 2 388.393 3.642 20 30 GHEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC[C@@H]1c1ccsc1 ZINC001121495731 934674100 /nfs/dbraw/zinc/67/41/00/934674100.db2.gz PCNCUSQTWSESNO-QZTJIDSGSA-N 1 2 387.553 3.649 20 30 GHEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC[C@@H]1c1ccsc1 ZINC001121495731 934674107 /nfs/dbraw/zinc/67/41/07/934674107.db2.gz PCNCUSQTWSESNO-QZTJIDSGSA-N 1 2 387.553 3.649 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CC=C(c2ccc(Cl)cc2)CC1 ZINC001121714718 934745775 /nfs/dbraw/zinc/74/57/75/934745775.db2.gz BWVTZNZKNDNCIC-UHFFFAOYSA-N 1 2 394.910 3.736 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1C[C@@H](c2ccccc2)C[C@H]1C ZINC001121800582 934767908 /nfs/dbraw/zinc/76/79/08/934767908.db2.gz ISYNDSOQRQKHIJ-NQIIRXRSSA-N 1 2 392.551 3.773 20 30 GHEDLO C[N@@H+]1CCC[C@H]1c1nnc(N2Cc3ccc(C#N)cc3C2)n1CCc1ccccc1 ZINC001122188564 934840776 /nfs/dbraw/zinc/84/07/76/934840776.db2.gz ANKVDFMIHQAXCJ-QFIPXVFZSA-N 1 2 398.514 3.679 20 30 GHEDLO C[N@H+]1CCC[C@H]1c1nnc(N2Cc3ccc(C#N)cc3C2)n1CCc1ccccc1 ZINC001122188564 934840780 /nfs/dbraw/zinc/84/07/80/934840780.db2.gz ANKVDFMIHQAXCJ-QFIPXVFZSA-N 1 2 398.514 3.679 20 30 GHEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@H]1c1cccc(F)c1 ZINC001122399446 934862008 /nfs/dbraw/zinc/86/20/08/934862008.db2.gz BLDIADKCIRWNIT-SFHVURJKSA-N 1 2 380.471 3.659 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@@H](c2nc(C)cs2)C1 ZINC001122536747 934892700 /nfs/dbraw/zinc/89/27/00/934892700.db2.gz LSSWHECKSRAXPS-SJORKVTESA-N 1 2 386.569 3.770 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@H](c2nc(C)cs2)C1 ZINC001122536747 934892704 /nfs/dbraw/zinc/89/27/04/934892704.db2.gz LSSWHECKSRAXPS-SJORKVTESA-N 1 2 386.569 3.770 20 30 GHEDLO CC(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1C[C@@H]2CCCC[C@@H]2C1 ZINC001122739549 934967555 /nfs/dbraw/zinc/96/75/55/934967555.db2.gz GJQHWRLEYZLXEI-BGYRXZFFSA-N 1 2 384.572 3.654 20 30 GHEDLO C=C(C)CN(C)c1nnc([C@@H](C)[N@H+](C)Cc2ccccc2)n1Cc1cc(C)on1 ZINC001123796787 935289731 /nfs/dbraw/zinc/28/97/31/935289731.db2.gz GVBBENZYTYSCBM-GOSISDBHSA-N 1 2 394.523 3.828 20 30 GHEDLO C=C(C)CN(C)c1nnc([C@@H](C)[N@@H+](C)Cc2ccccc2)n1Cc1cc(C)on1 ZINC001123796787 935289739 /nfs/dbraw/zinc/28/97/39/935289739.db2.gz GVBBENZYTYSCBM-GOSISDBHSA-N 1 2 394.523 3.828 20 30 GHEDLO N#Cc1ccc(CN2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)c(Br)c1 ZINC001137640132 935655873 /nfs/dbraw/zinc/65/58/73/935655873.db2.gz SSTCZKIWYKCLDC-INIZCTEOSA-N 1 2 384.268 3.626 20 30 GHEDLO C=C(C)Cn1c(-c2ccccc2C)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000558996834 1017332427 /nfs/dbraw/zinc/33/24/27/1017332427.db2.gz URKKACWIDVJNRI-UHFFFAOYSA-N 1 2 388.519 3.547 20 30 GHEDLO Cc1cc(N(CCC#N)C(=O)C[NH+]2CCC(c3ncco3)CC2)ccc1Cl ZINC000931452265 1017982545 /nfs/dbraw/zinc/98/25/45/1017982545.db2.gz QARGQKCSBVWFKZ-UHFFFAOYSA-N 1 2 386.883 3.763 20 30 GHEDLO C[NH+](C)Cc1csc(CNC(=O)Nc2scc(C(C)(C)C)c2C#N)n1 ZINC000931531846 1017996760 /nfs/dbraw/zinc/99/67/60/1017996760.db2.gz JFUXTPGEYVFPHZ-UHFFFAOYSA-N 1 2 377.539 3.757 20 30 GHEDLO Cn1cc([C@H]2CSCCC[N@@H+]2Cc2ccc(C#N)cc2C(F)(F)F)cn1 ZINC000933976920 1018897788 /nfs/dbraw/zinc/89/77/88/1018897788.db2.gz YTXFVBUTVCKTKT-QGZVFWFLSA-N 1 2 380.439 3.991 20 30 GHEDLO Cn1cc([C@H]2CSCCC[N@H+]2Cc2ccc(C#N)cc2C(F)(F)F)cn1 ZINC000933976920 1018897799 /nfs/dbraw/zinc/89/77/99/1018897799.db2.gz YTXFVBUTVCKTKT-QGZVFWFLSA-N 1 2 380.439 3.991 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CCCN(C(=O)C(C)C)CC2)cc1OC ZINC000628149286 1020670053 /nfs/dbraw/zinc/67/00/53/1020670053.db2.gz SRUSGTFCPTXPJC-UHFFFAOYSA-N 1 2 380.916 3.604 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@H+]2CCCN(C(=O)C(C)C)CC2)cc1OC ZINC000628149286 1020670061 /nfs/dbraw/zinc/67/00/61/1020670061.db2.gz SRUSGTFCPTXPJC-UHFFFAOYSA-N 1 2 380.916 3.604 20 30 GHEDLO CCOC(=O)c1ccc(N2CC[NH+](Cc3cc(C#N)ccc3Cl)CC2)cc1 ZINC001140604118 1022054999 /nfs/dbraw/zinc/05/49/99/1022054999.db2.gz QRKGKFQHFJBGNN-UHFFFAOYSA-N 1 2 383.879 3.711 20 30 GHEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000754493460 1022739435 /nfs/dbraw/zinc/73/94/35/1022739435.db2.gz NIKVFRCJUIIZEP-OAQYLSRUSA-N 1 2 375.428 3.891 20 30 GHEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000756069768 1023508506 /nfs/dbraw/zinc/50/85/06/1023508506.db2.gz GEVOHKOASIGPPC-KRWDZBQOSA-N 1 2 391.500 3.719 20 30 GHEDLO CCOC(=O)Cc1ccc2c(c1)C[N@@H+](Cc1sc(N)c(C#N)c1Cl)CC2 ZINC001141106756 1023514472 /nfs/dbraw/zinc/51/44/72/1023514472.db2.gz HRWHIJJLRDTNDX-UHFFFAOYSA-N 1 2 389.908 3.519 20 30 GHEDLO CCOC(=O)Cc1ccc2c(c1)C[N@H+](Cc1sc(N)c(C#N)c1Cl)CC2 ZINC001141106756 1023514475 /nfs/dbraw/zinc/51/44/75/1023514475.db2.gz HRWHIJJLRDTNDX-UHFFFAOYSA-N 1 2 389.908 3.519 20 30 GHEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1Cc1c[nH]c2c1cccc2CC ZINC001138359973 1024723613 /nfs/dbraw/zinc/72/36/13/1024723613.db2.gz CBZQDMHDHRLJSS-FQEVSTJZSA-N 1 2 379.508 3.644 20 30 GHEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1Cc1c[nH]c2c1cccc2CC ZINC001138359973 1024723623 /nfs/dbraw/zinc/72/36/23/1024723623.db2.gz CBZQDMHDHRLJSS-FQEVSTJZSA-N 1 2 379.508 3.644 20 30 GHEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1Cc1c(C)cc(OC)c(C)c1C ZINC001138724217 1025251176 /nfs/dbraw/zinc/25/11/76/1025251176.db2.gz CQDFECKSAKOIBX-FQEVSTJZSA-N 1 2 384.524 3.534 20 30 GHEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1Cc1c(C)cc(OC)c(C)c1C ZINC001138724217 1025251190 /nfs/dbraw/zinc/25/11/90/1025251190.db2.gz CQDFECKSAKOIBX-FQEVSTJZSA-N 1 2 384.524 3.534 20 30 GHEDLO COc1ccc(F)cc1C[NH+]1CCN(c2ncc(C#N)c3ccsc32)CC1 ZINC001161998548 1025530654 /nfs/dbraw/zinc/53/06/54/1025530654.db2.gz FYGSEDHZPLSFCO-UHFFFAOYSA-N 1 2 382.464 3.638 20 30 GHEDLO C=CCOCc1ncn2c1C[N@H+](Cc1ccc(OCC)c(OCC)c1)CCC2 ZINC001138972642 1025690057 /nfs/dbraw/zinc/69/00/57/1025690057.db2.gz UUXIEYNRFXAXJY-UHFFFAOYSA-N 1 2 385.508 3.789 20 30 GHEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1ccc(OCC)c(OCC)c1)CCC2 ZINC001138972642 1025690059 /nfs/dbraw/zinc/69/00/59/1025690059.db2.gz UUXIEYNRFXAXJY-UHFFFAOYSA-N 1 2 385.508 3.789 20 30 GHEDLO N#Cc1ccc2cc[nH+]c(N[C@H]3CC(=O)N(Cc4ccccc4Cl)C3)c2c1 ZINC001162966936 1025991871 /nfs/dbraw/zinc/99/18/71/1025991871.db2.gz KUZGVEFLHFOGFF-KRWDZBQOSA-N 1 2 376.847 3.973 20 30 GHEDLO C#C[C@@H]([NH2+]Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)[C@H]1CCCO1 ZINC000839564615 1026063445 /nfs/dbraw/zinc/06/34/45/1026063445.db2.gz SBXFUSFLWJFWCM-HZPDHXFCSA-N 1 2 399.903 3.988 20 30 GHEDLO N#Cc1ccc(Br)c(CN2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC001141654619 1026090876 /nfs/dbraw/zinc/09/08/76/1026090876.db2.gz FYOUELISGKBYNG-UHFFFAOYSA-N 1 2 388.284 3.778 20 30 GHEDLO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001139427475 1026298045 /nfs/dbraw/zinc/29/80/45/1026298045.db2.gz HLRZJMYDLWVFHJ-VCOUNFBDSA-N 1 2 391.471 3.909 20 30 GHEDLO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001139427475 1026298054 /nfs/dbraw/zinc/29/80/54/1026298054.db2.gz HLRZJMYDLWVFHJ-VCOUNFBDSA-N 1 2 391.471 3.909 20 30 GHEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1CC[C@H](c2cccc(Br)c2)C1=O ZINC000839961986 1026376379 /nfs/dbraw/zinc/37/63/79/1026376379.db2.gz ZLRJUCXBZWPCAN-LJQANCHMSA-N 1 2 398.304 3.726 20 30 GHEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1CC[C@H](c2cccc(Br)c2)C1=O ZINC000839961986 1026376389 /nfs/dbraw/zinc/37/63/89/1026376389.db2.gz ZLRJUCXBZWPCAN-LJQANCHMSA-N 1 2 398.304 3.726 20 30 GHEDLO CCn1ncc2c1C[N@H+](Cc1ccc(C)c(C#N)c1)C[C@@H]2COc1cccnc1 ZINC001139724935 1026569223 /nfs/dbraw/zinc/56/92/23/1026569223.db2.gz WIZFTQFGTRKKFA-HXUWFJFHSA-N 1 2 387.487 3.657 20 30 GHEDLO CCn1ncc2c1C[N@@H+](Cc1ccc(C)c(C#N)c1)C[C@@H]2COc1cccnc1 ZINC001139724935 1026569229 /nfs/dbraw/zinc/56/92/29/1026569229.db2.gz WIZFTQFGTRKKFA-HXUWFJFHSA-N 1 2 387.487 3.657 20 30 GHEDLO Cc1ccc2c(n1)N(Cc1cccnc1)CC[N@@H+](Cc1cc(F)cc(C#N)c1)C2 ZINC001139874549 1026690327 /nfs/dbraw/zinc/69/03/27/1026690327.db2.gz CANPKGXUMIFPEN-UHFFFAOYSA-N 1 2 387.462 3.818 20 30 GHEDLO Cc1ccc2c(n1)N(Cc1cccnc1)CC[N@H+](Cc1cc(F)cc(C#N)c1)C2 ZINC001139874549 1026690335 /nfs/dbraw/zinc/69/03/35/1026690335.db2.gz CANPKGXUMIFPEN-UHFFFAOYSA-N 1 2 387.462 3.818 20 30 GHEDLO N#Cc1cc(F)cc(C[N@@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)c1 ZINC001139874687 1026690505 /nfs/dbraw/zinc/69/05/05/1026690505.db2.gz IJVYROIXWKAUES-SIKLNZKXSA-N 1 2 381.451 3.542 20 30 GHEDLO N#Cc1cc(F)cc(C[N@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)c1 ZINC001139874687 1026690510 /nfs/dbraw/zinc/69/05/10/1026690510.db2.gz IJVYROIXWKAUES-SIKLNZKXSA-N 1 2 381.451 3.542 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+](C)[C@H](C)Cc2cccc(F)c2)c1=S ZINC000840166179 1027301577 /nfs/dbraw/zinc/30/15/77/1027301577.db2.gz HKZNCTLGRMFYQG-OAHLLOKOSA-N 1 2 398.511 3.717 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+](C)[C@H](C)Cc2cccc(F)c2)c1=S ZINC000840166179 1027301596 /nfs/dbraw/zinc/30/15/96/1027301596.db2.gz HKZNCTLGRMFYQG-OAHLLOKOSA-N 1 2 398.511 3.717 20 30 GHEDLO COCCOc1cc(C#N)c(Nc2ccc([NH+](C)C)c(C)c2)cc1OCCOC ZINC001210043231 1027327002 /nfs/dbraw/zinc/32/70/02/1027327002.db2.gz BCOWXRYTIPPROS-UHFFFAOYSA-N 1 2 399.491 3.727 20 30 GHEDLO C=CCOC[C@H]1C[N@@H+](Cc2ccc(OC)c(C)c2C)Cc2nnn(CC3CC3)c21 ZINC001203715870 1027549846 /nfs/dbraw/zinc/54/98/46/1027549846.db2.gz BYHABOCXXAGXCZ-HXUWFJFHSA-N 1 2 396.535 3.616 20 30 GHEDLO C=CCOC[C@H]1C[N@H+](Cc2ccc(OC)c(C)c2C)Cc2nnn(CC3CC3)c21 ZINC001203715870 1027549851 /nfs/dbraw/zinc/54/98/51/1027549851.db2.gz BYHABOCXXAGXCZ-HXUWFJFHSA-N 1 2 396.535 3.616 20 30 GHEDLO Cc1cc(Nc2cncnc2[C@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1C#N ZINC001210805486 1027656059 /nfs/dbraw/zinc/65/60/59/1027656059.db2.gz BZRDTGIACMZBSI-JOCHJYFZSA-N 1 2 385.471 3.974 20 30 GHEDLO Cc1cc(Nc2cncnc2[C@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1C#N ZINC001210805486 1027656065 /nfs/dbraw/zinc/65/60/65/1027656065.db2.gz BZRDTGIACMZBSI-JOCHJYFZSA-N 1 2 385.471 3.974 20 30 GHEDLO CSc1nc(C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)ccc1C#N ZINC001141939357 1027711694 /nfs/dbraw/zinc/71/16/94/1027711694.db2.gz OJBWNDBWFBLMJV-UHFFFAOYSA-N 1 2 375.444 3.997 20 30 GHEDLO O=[N+]([O-])c1ccc(CO[NH+]=Cc2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1F ZINC000842648248 1029455965 /nfs/dbraw/zinc/45/59/65/1029455965.db2.gz DQHOCTSIYJIROY-UHFFFAOYSA-N 1 2 388.355 3.793 20 30 GHEDLO Cc1ccc(Nc2cncnc2[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1C#N ZINC001216072080 1029516060 /nfs/dbraw/zinc/51/60/60/1029516060.db2.gz DRDCLDFCYGBWQK-QFIPXVFZSA-N 1 2 385.471 3.974 20 30 GHEDLO Cc1ccc(Nc2cncnc2[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1C#N ZINC001216072080 1029516068 /nfs/dbraw/zinc/51/60/68/1029516068.db2.gz DRDCLDFCYGBWQK-QFIPXVFZSA-N 1 2 385.471 3.974 20 30 GHEDLO CN(C[C@H]1CCC[N@H+](Cc2c(F)ccc(C#N)c2F)C1)C(=O)OC(C)(C)C ZINC001143165078 1029877152 /nfs/dbraw/zinc/87/71/52/1029877152.db2.gz ULTDPAQKXDGGBP-CQSZACIVSA-N 1 2 379.451 3.915 20 30 GHEDLO CN(C[C@H]1CCC[N@@H+](Cc2c(F)ccc(C#N)c2F)C1)C(=O)OC(C)(C)C ZINC001143165078 1029877157 /nfs/dbraw/zinc/87/71/57/1029877157.db2.gz ULTDPAQKXDGGBP-CQSZACIVSA-N 1 2 379.451 3.915 20 30 GHEDLO CN(CC1CC[NH+](Cc2c(F)ccc(C#N)c2F)CC1)C(=O)OC(C)(C)C ZINC001143170216 1029881090 /nfs/dbraw/zinc/88/10/90/1029881090.db2.gz CZFUMJSTMDHWEH-UHFFFAOYSA-N 1 2 379.451 3.915 20 30 GHEDLO CCCNC(=O)c1ccc(O[C@H]2CC[N@H+](Cc3c(F)ccc(C#N)c3F)C2)cc1 ZINC001143178519 1029884932 /nfs/dbraw/zinc/88/49/32/1029884932.db2.gz GYNSHLDIXIUTOF-SFHVURJKSA-N 1 2 399.441 3.630 20 30 GHEDLO CCCNC(=O)c1ccc(O[C@H]2CC[N@@H+](Cc3c(F)ccc(C#N)c3F)C2)cc1 ZINC001143178519 1029884941 /nfs/dbraw/zinc/88/49/41/1029884941.db2.gz GYNSHLDIXIUTOF-SFHVURJKSA-N 1 2 399.441 3.630 20 30 GHEDLO Cc1cc(-c2noc(-c3cc(-n4cc[nH+]c4)c(F)cc3[N+](=O)[O-])n2)ccc1C#N ZINC001217000439 1030069050 /nfs/dbraw/zinc/06/90/50/1030069050.db2.gz OLHCAENFKKJJNO-UHFFFAOYSA-N 1 2 390.334 3.817 20 30 GHEDLO Cc1cc(O[C@@H]2C[NH2+]CC2(F)F)c(C(=O)/C=C/c2ccc(O)c(O)c2)cc1C ZINC001218231458 1030843024 /nfs/dbraw/zinc/84/30/24/1030843024.db2.gz KLGWISZIIXWWAC-HQMUEHRGSA-N 1 2 389.398 3.597 20 30 GHEDLO C[C@]1(C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)COCC[NH2+]1 ZINC001218554922 1030985876 /nfs/dbraw/zinc/98/58/76/1030985876.db2.gz VIKQDUPWSFQEAE-HSZRJFAPSA-N 1 2 387.439 3.802 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2cc([N+](=O)[O-])c(F)cc2Cl)C1 ZINC001226199730 1031845917 /nfs/dbraw/zinc/84/59/17/1031845917.db2.gz YMUQDDHSQWUSBA-AWEZNQCLSA-N 1 2 375.787 3.912 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2cc([N+](=O)[O-])c(F)cc2Cl)C1 ZINC001226199730 1031845938 /nfs/dbraw/zinc/84/59/38/1031845938.db2.gz YMUQDDHSQWUSBA-AWEZNQCLSA-N 1 2 375.787 3.912 20 30 GHEDLO N#CC1(C[NH2+]Cc2cc(Br)ccc2Br)CCOCC1 ZINC001461816290 1069766331 /nfs/dbraw/zinc/76/63/31/1069766331.db2.gz ZJZFJBHBRBFXRP-UHFFFAOYSA-N 1 2 388.103 3.622 20 30 GHEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccccc1Sc1ccccc1C#N ZINC001154236946 1031998997 /nfs/dbraw/zinc/99/89/97/1031998997.db2.gz VMPFYUCSQCQXDT-GOSISDBHSA-N 1 2 395.528 3.550 20 30 GHEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1ccccc1Sc1ccccc1C#N ZINC001154236946 1031999004 /nfs/dbraw/zinc/99/90/04/1031999004.db2.gz VMPFYUCSQCQXDT-GOSISDBHSA-N 1 2 395.528 3.550 20 30 GHEDLO N#Cc1cc(Br)cc(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC001229283438 1033391129 /nfs/dbraw/zinc/39/11/29/1033391129.db2.gz OKFZQJCJTPEJFU-LJQANCHMSA-N 1 2 387.277 3.601 20 30 GHEDLO N#Cc1cc(Br)cc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC001229283438 1033391133 /nfs/dbraw/zinc/39/11/33/1033391133.db2.gz OKFZQJCJTPEJFU-LJQANCHMSA-N 1 2 387.277 3.601 20 30 GHEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(Cl)c(Cl)c(Cl)c1)CC2 ZINC001277381494 1033447895 /nfs/dbraw/zinc/44/78/95/1033447895.db2.gz DTGORPGSUHULKM-ZDUSSCGKSA-N 1 2 385.722 3.998 20 30 GHEDLO Cc1nc(OC[C@H]2Cc3ccccc3O2)c(C#N)cc1-c1ccc2[nH+]ccn2c1 ZINC001229766705 1033698106 /nfs/dbraw/zinc/69/81/06/1033698106.db2.gz SMENBHVGNMJHAZ-LJQANCHMSA-N 1 2 382.423 3.959 20 30 GHEDLO COC(=O)[C@@H]1CCC[C@@H](Oc2nc(C)c(-c3ccc4[nH+]ccn4c3)cc2C#N)C1 ZINC001229768959 1033699196 /nfs/dbraw/zinc/69/91/96/1033699196.db2.gz PNDFLZDQSLXTRM-CRAIPNDOSA-N 1 2 390.443 3.687 20 30 GHEDLO CC1=CC(=O)c2c(OC[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)cccc2C1=O ZINC001229914277 1033789069 /nfs/dbraw/zinc/78/90/69/1033789069.db2.gz PLRDYYOQGGGUQK-IBGZPJMESA-N 1 2 391.467 3.682 20 30 GHEDLO CC1=CC(=O)c2c(OC[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)cccc2C1=O ZINC001229914277 1033789087 /nfs/dbraw/zinc/78/90/87/1033789087.db2.gz PLRDYYOQGGGUQK-IBGZPJMESA-N 1 2 391.467 3.682 20 30 GHEDLO COc1cc(N2CCN(c3nc4ccc(C)cc4c(Cl)c3C#N)CC2)cc[nH+]1 ZINC001158104969 1033916962 /nfs/dbraw/zinc/91/69/62/1033916962.db2.gz QONCWDLRUJUOGH-UHFFFAOYSA-N 1 2 393.878 3.799 20 30 GHEDLO N#CC[C@H](Oc1nc(=O)[nH]c2c1CC[N@H+](Cc1ccccc1)C2)c1ccccc1 ZINC001230188829 1033936715 /nfs/dbraw/zinc/93/67/15/1033936715.db2.gz NTTDEKUKZJRLCK-NRFANRHFSA-N 1 2 386.455 3.774 20 30 GHEDLO N#CC[C@H](Oc1nc(=O)[nH]c2c1CC[N@@H+](Cc1ccccc1)C2)c1ccccc1 ZINC001230188829 1033936722 /nfs/dbraw/zinc/93/67/22/1033936722.db2.gz NTTDEKUKZJRLCK-NRFANRHFSA-N 1 2 386.455 3.774 20 30 GHEDLO C=C(Cl)C[C@H]([NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1)C(=O)OCC ZINC001207128933 1034112628 /nfs/dbraw/zinc/11/26/28/1034112628.db2.gz IDXOZXMIQZBVID-GPANFISMSA-N 1 2 388.936 3.734 20 30 GHEDLO N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@@]23CCN(CCC(F)(F)F)C3=O)c1 ZINC001277487389 1034403549 /nfs/dbraw/zinc/40/35/49/1034403549.db2.gz IQUBXYTXBCHIHE-KRWDZBQOSA-N 1 2 385.817 3.731 20 30 GHEDLO N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@]23CCN(CCC(F)(F)F)C3=O)c1 ZINC001277487389 1034403556 /nfs/dbraw/zinc/40/35/56/1034403556.db2.gz IQUBXYTXBCHIHE-KRWDZBQOSA-N 1 2 385.817 3.731 20 30 GHEDLO C#Cc1cccc(CN2CCO[C@@H](c3[nH+]cn4c3cccc4Br)C2)c1 ZINC001231658234 1034814771 /nfs/dbraw/zinc/81/47/71/1034814771.db2.gz SEICNKNHLISWNO-GOSISDBHSA-N 1 2 396.288 3.652 20 30 GHEDLO C#Cc1cccc(C[N@@H+]2CCO[C@@H](c3ncn4c3cccc4Br)C2)c1 ZINC001231658234 1034814780 /nfs/dbraw/zinc/81/47/80/1034814780.db2.gz SEICNKNHLISWNO-GOSISDBHSA-N 1 2 396.288 3.652 20 30 GHEDLO C#Cc1cccc(C[N@H+]2CCO[C@@H](c3ncn4c3cccc4Br)C2)c1 ZINC001231658234 1034814788 /nfs/dbraw/zinc/81/47/88/1034814788.db2.gz SEICNKNHLISWNO-GOSISDBHSA-N 1 2 396.288 3.652 20 30 GHEDLO N#CCc1cc[nH+]c(NCCC(=O)N2Cc3ccccc3C#Cc3ccccc32)c1 ZINC001160700614 1035039426 /nfs/dbraw/zinc/03/94/26/1035039426.db2.gz MWYUYJZZIKYLMI-UHFFFAOYSA-N 1 2 392.462 3.896 20 30 GHEDLO CCOC(=O)[C@H]1c2ccc(OC)cc2CC[N@H+]1CCCc1ccc(C#N)cc1 ZINC001208863367 1035066080 /nfs/dbraw/zinc/06/60/80/1035066080.db2.gz BJNSFLGJJJMBCC-JOCHJYFZSA-N 1 2 378.472 3.662 20 30 GHEDLO CCOC(=O)[C@H]1c2ccc(OC)cc2CC[N@@H+]1CCCc1ccc(C#N)cc1 ZINC001208863367 1035066086 /nfs/dbraw/zinc/06/60/86/1035066086.db2.gz BJNSFLGJJJMBCC-JOCHJYFZSA-N 1 2 378.472 3.662 20 30 GHEDLO Cc1c(C#N)c(-c2ccc(OCC[NH+]3CCOCC3)cc2F)nc2ccccc12 ZINC001244137428 1036393479 /nfs/dbraw/zinc/39/34/79/1036393479.db2.gz WYYNJNGHVMBNTO-UHFFFAOYSA-N 1 2 391.446 3.932 20 30 GHEDLO COc1cc(-n2cc[nH+]c2)ccc1-c1ccc(OC2CCOCC2)c(C#N)c1 ZINC001245307807 1036868319 /nfs/dbraw/zinc/86/83/19/1036868319.db2.gz YRADUJUKFQITKS-UHFFFAOYSA-N 1 2 375.428 3.977 20 30 GHEDLO C=CCOC1CCC([N@H+]2CCN[C@@H](c3cccc(Br)c3)C2)CC1 ZINC001246807506 1037641882 /nfs/dbraw/zinc/64/18/82/1037641882.db2.gz RMIZWQZPMUUOMB-CTWPCTMYSA-N 1 2 379.342 3.909 20 30 GHEDLO C=CCOC1CCC([N@@H+]2CCN[C@@H](c3cccc(Br)c3)C2)CC1 ZINC001246807506 1037641894 /nfs/dbraw/zinc/64/18/94/1037641894.db2.gz RMIZWQZPMUUOMB-CTWPCTMYSA-N 1 2 379.342 3.909 20 30 GHEDLO COC(=O)C1(C#N)CC[NH+](Cc2cc(C)ccc2OCc2ccccc2)CC1 ZINC001232376724 1038151736 /nfs/dbraw/zinc/15/17/36/1038151736.db2.gz KKYOCBFXKSHDGM-UHFFFAOYSA-N 1 2 378.472 3.853 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1C[C@H](O)CCCCCCCC ZINC001252127174 1038879193 /nfs/dbraw/zinc/87/91/93/1038879193.db2.gz XZRPXOAAYKNVAR-UYAOXDASSA-N 1 2 378.561 3.511 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1C[C@H](O)CCCCCCCC ZINC001252127174 1038879204 /nfs/dbraw/zinc/87/92/04/1038879204.db2.gz XZRPXOAAYKNVAR-UYAOXDASSA-N 1 2 378.561 3.511 20 30 GHEDLO C=CCC[C@H](O)C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1F ZINC001252599908 1039042208 /nfs/dbraw/zinc/04/22/08/1039042208.db2.gz NYGCJYLXGXCHBN-LPHOPBHVSA-N 1 2 378.488 3.747 20 30 GHEDLO C=CCC[C@H](O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1F ZINC001252599908 1039042232 /nfs/dbraw/zinc/04/22/32/1039042232.db2.gz NYGCJYLXGXCHBN-LPHOPBHVSA-N 1 2 378.488 3.747 20 30 GHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3ncoc3[C@@H]3CCCO3)n2)C1 ZINC000329462021 1039103414 /nfs/dbraw/zinc/10/34/14/1039103414.db2.gz PYCGQSAACDPONA-JSGCOSHPSA-N 1 2 376.482 3.851 20 30 GHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ncoc3[C@@H]3CCCO3)n2)C1 ZINC000329462021 1039103420 /nfs/dbraw/zinc/10/34/20/1039103420.db2.gz PYCGQSAACDPONA-JSGCOSHPSA-N 1 2 376.482 3.851 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](Cc3cccc(C(F)(F)F)c3O)CC2)c(F)c1 ZINC001233419046 1039279995 /nfs/dbraw/zinc/27/99/95/1039279995.db2.gz HMBSTZASZYXCNZ-UHFFFAOYSA-N 1 2 379.357 3.744 20 30 GHEDLO N#CCCCN1CCC2(CC[NH+](Cc3ncc(Cl)cc3Cl)CC2)C1=O ZINC001277802455 1039560975 /nfs/dbraw/zinc/56/09/75/1039560975.db2.gz NKRAWBLBIQFLEU-UHFFFAOYSA-N 1 2 381.307 3.507 20 30 GHEDLO Cc1ccc2oc(-c3ccc(O[C@@H]4C[C@@H]5[C@H]6O[C@H]6[C@H](C4)[N@H+]5C)cc3)cc(=O)c2c1 ZINC001233807391 1039632231 /nfs/dbraw/zinc/63/22/31/1039632231.db2.gz TTWKAROWGORWPQ-DASPOYFHSA-N 1 2 389.451 3.760 20 30 GHEDLO Cc1ccc2oc(-c3ccc(O[C@@H]4C[C@@H]5[C@H]6O[C@H]6[C@H](C4)[N@@H+]5C)cc3)cc(=O)c2c1 ZINC001233807391 1039632237 /nfs/dbraw/zinc/63/22/37/1039632237.db2.gz TTWKAROWGORWPQ-DASPOYFHSA-N 1 2 389.451 3.760 20 30 GHEDLO COc1cc(/C=C/c2cccc(O)c2)cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c1 ZINC001234786495 1040317772 /nfs/dbraw/zinc/31/77/72/1040317772.db2.gz JJFBPUCOESUASI-VSIZWWQYSA-N 1 2 379.456 3.562 20 30 GHEDLO COc1cc(/C=C/c2cccc(O)c2)cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c1 ZINC001234786495 1040317786 /nfs/dbraw/zinc/31/77/86/1040317786.db2.gz JJFBPUCOESUASI-VSIZWWQYSA-N 1 2 379.456 3.562 20 30 GHEDLO N#Cc1ccc2c(c1)CN(C(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1)C2 ZINC001255023524 1040736284 /nfs/dbraw/zinc/73/62/84/1040736284.db2.gz JOZRQHPEABRDBZ-UHFFFAOYSA-N 1 2 397.482 3.685 20 30 GHEDLO N#Cc1cc(F)c(C[N@@H+]2CC[C@H]3O[C@H](COCc4ccccn4)CC[C@H]32)c(F)c1 ZINC001235654979 1041102431 /nfs/dbraw/zinc/10/24/31/1041102431.db2.gz SIWSCVGAFXZMKT-MTNREXPMSA-N 1 2 399.441 3.570 20 30 GHEDLO N#Cc1cc(F)c(C[N@H+]2CC[C@H]3O[C@H](COCc4ccccn4)CC[C@H]32)c(F)c1 ZINC001235654979 1041102436 /nfs/dbraw/zinc/10/24/36/1041102436.db2.gz SIWSCVGAFXZMKT-MTNREXPMSA-N 1 2 399.441 3.570 20 30 GHEDLO N#Cc1cc(F)c(C[NH+]2CCC(c3nc(-c4cccnc4)no3)CC2)c(F)c1 ZINC001235656140 1041102561 /nfs/dbraw/zinc/10/25/61/1041102561.db2.gz BBTLYRXOZYTMFU-UHFFFAOYSA-N 1 2 381.386 3.661 20 30 GHEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1cc(F)cc3c1OCCC3)CCO2 ZINC001236619947 1041786558 /nfs/dbraw/zinc/78/65/58/1041786558.db2.gz RRNCAKDKIHKNHB-SIKLNZKXSA-N 1 2 375.484 3.724 20 30 GHEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1cc(F)cc3c1OCCC3)CCO2 ZINC001236619947 1041786566 /nfs/dbraw/zinc/78/65/66/1041786566.db2.gz RRNCAKDKIHKNHB-SIKLNZKXSA-N 1 2 375.484 3.724 20 30 GHEDLO CN(CC1C[NH+](Cc2ccc(C#N)c(Br)c2)C1)C(=O)OC(C)(C)C ZINC001236855267 1041930532 /nfs/dbraw/zinc/93/05/32/1041930532.db2.gz BCHBXJPGECXKRB-UHFFFAOYSA-N 1 2 394.313 3.619 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](N3Cc4ccccc4C3=O)C2)cc1Br ZINC001236861896 1041932570 /nfs/dbraw/zinc/93/25/70/1041932570.db2.gz XHZOVPNICVYKOR-KRWDZBQOSA-N 1 2 396.288 3.551 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CC[C@H](N3Cc4ccccc4C3=O)C2)cc1Br ZINC001236861896 1041932571 /nfs/dbraw/zinc/93/25/71/1041932571.db2.gz XHZOVPNICVYKOR-KRWDZBQOSA-N 1 2 396.288 3.551 20 30 GHEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1ccccc1NC(=O)C(C)(C)C)CC2 ZINC001237393202 1042187560 /nfs/dbraw/zinc/18/75/60/1042187560.db2.gz OISPABQVBPHQQL-UHFFFAOYSA-N 1 2 396.535 3.666 20 30 GHEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1ccccc1NC(=O)C(C)(C)C)CC2 ZINC001237393202 1042187565 /nfs/dbraw/zinc/18/75/65/1042187565.db2.gz OISPABQVBPHQQL-UHFFFAOYSA-N 1 2 396.535 3.666 20 30 GHEDLO N#Cc1cc(C[NH+]2CCC(Oc3cnc4ccccc4n3)CC2)c(F)cc1F ZINC001237529889 1042252532 /nfs/dbraw/zinc/25/25/32/1042252532.db2.gz KIVQJPFWNXDKAH-UHFFFAOYSA-N 1 2 380.398 3.823 20 30 GHEDLO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)C1 ZINC001237618844 1042284897 /nfs/dbraw/zinc/28/48/97/1042284897.db2.gz JQEUJOVFIXUIBV-IBGZPJMESA-N 1 2 382.863 3.795 20 30 GHEDLO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)C1 ZINC001237618844 1042284905 /nfs/dbraw/zinc/28/49/05/1042284905.db2.gz JQEUJOVFIXUIBV-IBGZPJMESA-N 1 2 382.863 3.795 20 30 GHEDLO COc1cccc(C[NH+]2CCN(c3ccccc3C#N)CC2)c1Br ZINC001237856331 1042396912 /nfs/dbraw/zinc/39/69/12/1042396912.db2.gz CZPKJQALPYFRLV-UHFFFAOYSA-N 1 2 386.293 3.652 20 30 GHEDLO N#Cc1ccc(O[C@H]2CCC[N@@H+](Cc3scnc3Br)C2)cc1 ZINC001238040780 1042469850 /nfs/dbraw/zinc/46/98/50/1042469850.db2.gz XMHQUBNCHGAASP-AWEZNQCLSA-N 1 2 378.295 3.821 20 30 GHEDLO N#Cc1ccc(O[C@H]2CCC[N@H+](Cc3scnc3Br)C2)cc1 ZINC001238040780 1042469851 /nfs/dbraw/zinc/46/98/51/1042469851.db2.gz XMHQUBNCHGAASP-AWEZNQCLSA-N 1 2 378.295 3.821 20 30 GHEDLO COc1cc(C[N@@H+]2CCN(Cc3cccnc3)c3nc(C)ccc3C2)ccc1C#N ZINC001238405795 1042586291 /nfs/dbraw/zinc/58/62/91/1042586291.db2.gz AQGIQYWDWLYJOB-UHFFFAOYSA-N 1 2 399.498 3.688 20 30 GHEDLO COc1cc(C[N@H+]2CCN(Cc3cccnc3)c3nc(C)ccc3C2)ccc1C#N ZINC001238405795 1042586295 /nfs/dbraw/zinc/58/62/95/1042586295.db2.gz AQGIQYWDWLYJOB-UHFFFAOYSA-N 1 2 399.498 3.688 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)C(F)(F)c3ccccc3C#N)n2)C1 ZINC001291919404 1043529579 /nfs/dbraw/zinc/52/95/79/1043529579.db2.gz JEOXBGKHFVHIHA-CYBMUJFWSA-N 1 2 390.459 3.977 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)C(F)(F)c3ccccc3C#N)n2)C1 ZINC001291919404 1043529588 /nfs/dbraw/zinc/52/95/88/1043529588.db2.gz JEOXBGKHFVHIHA-CYBMUJFWSA-N 1 2 390.459 3.977 20 30 GHEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@@H]1c1ccc(COC)o1 ZINC001262952420 1046448547 /nfs/dbraw/zinc/44/85/47/1046448547.db2.gz SIAFHMPUOOKQIZ-GOSISDBHSA-N 1 2 385.512 3.531 20 30 GHEDLO C=CCN(c1nnc(C(C)(C)C)n1Cc1ccccc1-n1cc[nH+]c1)C1CC1 ZINC001301314180 1046477707 /nfs/dbraw/zinc/47/77/07/1046477707.db2.gz OKRYPHKPGWYFIM-UHFFFAOYSA-N 1 2 376.508 3.964 20 30 GHEDLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2cc(F)c(C#N)c(F)c2)CC1 ZINC001303314103 1047357717 /nfs/dbraw/zinc/35/77/17/1047357717.db2.gz SOGUSOIVRINDQB-FQEVSTJZSA-N 1 2 387.405 3.885 20 30 GHEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3c(C)cc(C#N)cc3C)CC2)c1 ZINC001306541912 1048723780 /nfs/dbraw/zinc/72/37/80/1048723780.db2.gz INSAXYIHLVUJIO-GOSISDBHSA-N 1 2 377.488 3.703 20 30 GHEDLO Cc1ccc([C@H](CNc2cc(C(F)(F)F)cc(C#N)n2)[NH+]2CCOCC2)cc1 ZINC001306938259 1048968812 /nfs/dbraw/zinc/96/88/12/1048968812.db2.gz ZYKOYZNMFKXIHP-SFHVURJKSA-N 1 2 390.409 3.766 20 30 GHEDLO C=CC[N@H+](CC(=O)Nc1nc(-c2c[nH]c3ccccc32)cs1)[C@H](C)COC ZINC001307924794 1049700551 /nfs/dbraw/zinc/70/05/51/1049700551.db2.gz SZIBNQSUCORIBY-CQSZACIVSA-N 1 2 384.505 3.753 20 30 GHEDLO C=CC[N@@H+](CC(=O)Nc1nc(-c2c[nH]c3ccccc32)cs1)[C@H](C)COC ZINC001307924794 1049700558 /nfs/dbraw/zinc/70/05/58/1049700558.db2.gz SZIBNQSUCORIBY-CQSZACIVSA-N 1 2 384.505 3.753 20 30 GHEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)Cc1ccccc1 ZINC001342673509 1053292016 /nfs/dbraw/zinc/29/20/16/1053292016.db2.gz KUOSRYJZIQIXSK-UHFFFAOYSA-N 1 2 378.524 3.584 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCO[C@](C)(C2CC2)C1 ZINC001342709415 1053312651 /nfs/dbraw/zinc/31/26/51/1053312651.db2.gz YNWPXWPFHHANFT-KNQAVFIVSA-N 1 2 398.555 3.692 20 30 GHEDLO C=C(C)Cn1c([C@H](O)C2CCCC2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001343814858 1054044431 /nfs/dbraw/zinc/04/44/31/1054044431.db2.gz WSMJFGAWCDXRHH-HXUWFJFHSA-N 1 2 396.539 3.554 20 30 GHEDLO N#CCC[NH+]1CCC(c2nnc(N3CCCCC3)n2CCc2ccccc2)CC1 ZINC001344439713 1054467425 /nfs/dbraw/zinc/46/74/25/1054467425.db2.gz YKLJNTCIBSCLSU-UHFFFAOYSA-N 1 2 392.551 3.604 20 30 GHEDLO CC(C)CC(=O)N1CC[NH+](Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC001319688937 1055398778 /nfs/dbraw/zinc/39/87/78/1055398778.db2.gz NQCBHQVHLDEMTG-UHFFFAOYSA-N 1 2 391.515 3.828 20 30 GHEDLO N#CCOc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1 ZINC001320024553 1055605551 /nfs/dbraw/zinc/60/55/51/1055605551.db2.gz GARZCQBEZIJETF-UHFFFAOYSA-N 1 2 384.867 3.592 20 30 GHEDLO C=CCO[C@@H]1CCN(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC001320064973 1055630998 /nfs/dbraw/zinc/63/09/98/1055630998.db2.gz YBFDKDPRGAXETF-QAPCUYQASA-N 1 2 395.906 3.603 20 30 GHEDLO C#CCN(CC)c1nnc(CC(C)C)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001300629544 1056721084 /nfs/dbraw/zinc/72/10/84/1056721084.db2.gz YFGQAZFEFHYGTD-SFHVURJKSA-N 1 2 389.494 3.517 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCCC1=NNCCCn1cc[nH+]c1 ZINC000848417045 1057075341 /nfs/dbraw/zinc/07/53/41/1057075341.db2.gz IXFFWAADAKNKHO-HKUYNNGSSA-N 1 2 389.544 3.809 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c(C#N)c1C ZINC001324284886 1057104375 /nfs/dbraw/zinc/10/43/75/1057104375.db2.gz HJDBNGNBEDIISQ-GOEBONIOSA-N 1 2 391.475 3.851 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c(C#N)c1C ZINC001324284886 1057104380 /nfs/dbraw/zinc/10/43/80/1057104380.db2.gz HJDBNGNBEDIISQ-GOEBONIOSA-N 1 2 391.475 3.851 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC(c2ccc(O)cc2)CC1 ZINC001355928484 1057320037 /nfs/dbraw/zinc/32/00/37/1057320037.db2.gz COXXGQKRAQUGPI-FQEVSTJZSA-N 1 2 381.524 3.711 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC(c2ccc(O)cc2)CC1 ZINC001355928484 1057320040 /nfs/dbraw/zinc/32/00/40/1057320040.db2.gz COXXGQKRAQUGPI-FQEVSTJZSA-N 1 2 381.524 3.711 20 30 GHEDLO C=C[C@H](COC)NC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC001325620431 1057347027 /nfs/dbraw/zinc/34/70/27/1057347027.db2.gz XVVJAJBUBHZFJI-OAQYLSRUSA-N 1 2 390.487 3.599 20 30 GHEDLO C=C(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC(c2ccco2)CC1 ZINC001357151999 1057617689 /nfs/dbraw/zinc/61/76/89/1057617689.db2.gz GBEQKFNVLWMERM-HXUWFJFHSA-N 1 2 399.539 3.613 20 30 GHEDLO C=C(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC(c2ccco2)CC1 ZINC001357151999 1057617695 /nfs/dbraw/zinc/61/76/95/1057617695.db2.gz GBEQKFNVLWMERM-HXUWFJFHSA-N 1 2 399.539 3.613 20 30 GHEDLO C=CCn1c(-c2ccc(C)nc2C)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001338639325 1058704703 /nfs/dbraw/zinc/70/47/03/1058704703.db2.gz ULAGJWBHRTZXAU-UHFFFAOYSA-N 1 2 389.507 3.619 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1C[C@]2(C)COC[C@]2(C)C1 ZINC001338994519 1058916664 /nfs/dbraw/zinc/91/66/64/1058916664.db2.gz DRILGMURPLGHLM-OFAXGOBFSA-N 1 2 395.551 3.520 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1C[C@]2(C)COC[C@]2(C)C1 ZINC001338994519 1058916674 /nfs/dbraw/zinc/91/66/74/1058916674.db2.gz DRILGMURPLGHLM-OFAXGOBFSA-N 1 2 395.551 3.520 20 30 GHEDLO CCn1c([C@@H]2CCCC[N@@H+]2Cc2ccccc2)nnc1N1CCC(C#N)CC1 ZINC001341127006 1060427431 /nfs/dbraw/zinc/42/74/31/1060427431.db2.gz IRBFNNAUHIVEGT-FQEVSTJZSA-N 1 2 378.524 3.765 20 30 GHEDLO CCn1c([C@@H]2CCCC[N@H+]2Cc2ccccc2)nnc1N1CCC(C#N)CC1 ZINC001341127006 1060427450 /nfs/dbraw/zinc/42/74/50/1060427450.db2.gz IRBFNNAUHIVEGT-FQEVSTJZSA-N 1 2 378.524 3.765 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC(OCCC(C)C)CC1 ZINC001346180341 1061433218 /nfs/dbraw/zinc/43/32/18/1061433218.db2.gz YZYCDVSNWVAMSQ-LJQANCHMSA-N 1 2 375.561 3.652 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC(OCCC(C)C)CC1 ZINC001346180341 1061433228 /nfs/dbraw/zinc/43/32/28/1061433228.db2.gz YZYCDVSNWVAMSQ-LJQANCHMSA-N 1 2 375.561 3.652 20 30 GHEDLO C=CCN(c1nnc([C@@H](CC(C)C)n2cc[nH+]c2)n1Cc1cc(C)on1)C1CC1 ZINC001346931493 1061988293 /nfs/dbraw/zinc/98/82/93/1061988293.db2.gz HVAJGBNQCNNMLK-LJQANCHMSA-N 1 2 395.511 3.610 20 30 GHEDLO COc1cc(C#N)ccc1OCCSCc1cccc(C[NH+]2CCOCC2)c1 ZINC001348632721 1063250298 /nfs/dbraw/zinc/25/02/98/1063250298.db2.gz ULVHZZBXTFPXIO-UHFFFAOYSA-N 1 2 398.528 3.711 20 30 GHEDLO N#Cc1ccc(N2CCC[C@H]([N@H+](Cc3ccc(F)cc3F)C3CC3)C2=O)cc1 ZINC001459310747 1064057827 /nfs/dbraw/zinc/05/78/27/1064057827.db2.gz GNSUMWWWZQFGFB-NRFANRHFSA-N 1 2 381.426 3.996 20 30 GHEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+](Cc3ccc(F)cc3F)C3CC3)C2=O)cc1 ZINC001459310747 1064057831 /nfs/dbraw/zinc/05/78/31/1064057831.db2.gz GNSUMWWWZQFGFB-NRFANRHFSA-N 1 2 381.426 3.996 20 30 GHEDLO C=CCC[C@@H](O)C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1OC ZINC001460003934 1064336977 /nfs/dbraw/zinc/33/69/77/1064336977.db2.gz IFBZWFKEKSLXCZ-IEBWSBKVSA-N 1 2 390.524 3.616 20 30 GHEDLO C=CCC[C@@H](O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1OC ZINC001460003934 1064336984 /nfs/dbraw/zinc/33/69/84/1064336984.db2.gz IFBZWFKEKSLXCZ-IEBWSBKVSA-N 1 2 390.524 3.616 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC(Cc2nccs2)CC1 ZINC001351616027 1064533134 /nfs/dbraw/zinc/53/31/34/1064533134.db2.gz NOTHWQVWYGJACA-KRWDZBQOSA-N 1 2 386.569 3.537 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC(Cc2nccs2)CC1 ZINC001351616027 1064533150 /nfs/dbraw/zinc/53/31/50/1064533150.db2.gz NOTHWQVWYGJACA-KRWDZBQOSA-N 1 2 386.569 3.537 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1Cc2ccccc2[C@H]1C ZINC001351948191 1064726271 /nfs/dbraw/zinc/72/62/71/1064726271.db2.gz FCYKJWFTGRDBQS-QGZVFWFLSA-N 1 2 376.508 3.638 20 30 GHEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1cc(-c2ccc(CC)cc2)nn1-c1ccccc1 ZINC001473432789 1067559556 /nfs/dbraw/zinc/55/95/56/1067559556.db2.gz PAHUPVYKVAHOIP-GOSISDBHSA-N 1 2 386.499 3.994 20 30 GHEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1cc(-c2ccc(CC)cc2)nn1-c1ccccc1 ZINC001473432789 1067559559 /nfs/dbraw/zinc/55/95/59/1067559559.db2.gz PAHUPVYKVAHOIP-GOSISDBHSA-N 1 2 386.499 3.994 20 30 GHEDLO C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1CCCc1cccc(C)[nH+]1 ZINC001359070901 1067671516 /nfs/dbraw/zinc/67/15/16/1067671516.db2.gz XSGXMZYQILTMSN-NZQKXSOJSA-N 1 2 393.535 3.848 20 30 GHEDLO C=CC1CCN(c2nnc(CC)n2Cc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC001359178915 1067739301 /nfs/dbraw/zinc/73/93/01/1067739301.db2.gz GONFPLXLIVGMBA-UHFFFAOYSA-N 1 2 376.508 3.536 20 30 GHEDLO C=CCCCn1c(C2CCC2)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001359214879 1067790263 /nfs/dbraw/zinc/79/02/63/1067790263.db2.gz OHVOEIGJPNWFQE-UHFFFAOYSA-N 1 2 386.569 3.599 20 30 GHEDLO C[C@H](CC#N)N(C)c1nnc(C(C)(C)C)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001360466205 1068517374 /nfs/dbraw/zinc/51/73/74/1068517374.db2.gz AXRVTLMTXFVDRU-QGZVFWFLSA-N 1 2 395.555 3.748 20 30 GHEDLO C=C[C@H](CO)[NH2+][C@@H](C(=O)Nc1nc(-c2ccc(C)cc2)cs1)c1ccccc1 ZINC001460513457 1068983183 /nfs/dbraw/zinc/98/31/83/1068983183.db2.gz OROJYLWQKXQJMI-UYAOXDASSA-N 1 2 393.512 3.935 20 30 GHEDLO COc1cccc([C@@H]2CN(C(=O)c3c(Cl)cc(C#N)cc3Cl)CC[NH2+]2)c1 ZINC001470858515 1072776433 /nfs/dbraw/zinc/77/64/33/1072776433.db2.gz LURDTDTUIOVWJC-KRWDZBQOSA-N 1 2 390.270 3.660 20 30 GHEDLO C=CC[N@H+](CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)[C@H](C)COC ZINC001473637571 1074060526 /nfs/dbraw/zinc/06/05/26/1074060526.db2.gz STLOZLHUEYWQMW-GFCCVEGCSA-N 1 2 381.448 3.550 20 30 GHEDLO C=CC[N@@H+](CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)[C@H](C)COC ZINC001473637571 1074060532 /nfs/dbraw/zinc/06/05/32/1074060532.db2.gz STLOZLHUEYWQMW-GFCCVEGCSA-N 1 2 381.448 3.550 20 30 GHEDLO C=CCC1(O)CC[NH+](Cc2cccc(Br)c2OC(F)F)CC1 ZINC001473808042 1074153988 /nfs/dbraw/zinc/15/39/88/1074153988.db2.gz BFRRLGYBLHXMGE-UHFFFAOYSA-N 1 2 376.241 3.954 20 30 GHEDLO COc1ccc(C[NH2+]Cc2ncccc2Br)cc1OCCCC#N ZINC001474298394 1074329789 /nfs/dbraw/zinc/32/97/89/1074329789.db2.gz AGWFTXYZMNGBPP-UHFFFAOYSA-N 1 2 390.281 3.825 20 30 GHEDLO COc1cccc2c(C[NH2+][C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cccc12 ZINC001474425163 1074401128 /nfs/dbraw/zinc/40/11/28/1074401128.db2.gz ZRDZKVJGAIMDHV-VQIMIIECSA-N 1 2 381.476 3.697 20 30 GHEDLO CCOc1ccccc1CN1CC[N@H+](Cc2ccc(C#N)c(OC)c2)[C@@H](C)C1 ZINC001474470371 1074420663 /nfs/dbraw/zinc/42/06/63/1074420663.db2.gz IRUVENISZWHPDH-SFHVURJKSA-N 1 2 379.504 3.672 20 30 GHEDLO CCOc1ccccc1CN1CC[N@@H+](Cc2ccc(C#N)c(OC)c2)[C@@H](C)C1 ZINC001474470371 1074420666 /nfs/dbraw/zinc/42/06/66/1074420666.db2.gz IRUVENISZWHPDH-SFHVURJKSA-N 1 2 379.504 3.672 20 30 GHEDLO C=C(C)[C@H](NS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2)c1ccc(F)c(F)c1 ZINC001475213769 1074789276 /nfs/dbraw/zinc/78/92/76/1074789276.db2.gz XUPAEWKYPVESGV-FQEVSTJZSA-N 1 2 392.471 3.548 20 30 GHEDLO C=C(C)[C@H](NS(=O)(=O)c1cccc2c1CC[N@H+](C)C2)c1ccc(F)c(F)c1 ZINC001475213769 1074789283 /nfs/dbraw/zinc/78/92/83/1074789283.db2.gz XUPAEWKYPVESGV-FQEVSTJZSA-N 1 2 392.471 3.548 20 30 GHEDLO Cc1ccc(CNC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)cc1C#N ZINC001475872784 1075038108 /nfs/dbraw/zinc/03/81/08/1075038108.db2.gz JGLGYMGHRBFVAD-AWEZNQCLSA-N 1 2 383.521 3.877 20 30 GHEDLO Cc1ccc(CNC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)cc1C#N ZINC001475872784 1075038113 /nfs/dbraw/zinc/03/81/13/1075038113.db2.gz JGLGYMGHRBFVAD-AWEZNQCLSA-N 1 2 383.521 3.877 20 30 GHEDLO CC(C)[N@@H+]1CC[C@H](NC(=O)c2cnccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000580614630 837386857 /nfs/dbraw/zinc/38/68/57/837386857.db2.gz RORGSSSJVSOMPE-RBUKOAKNSA-N 1 2 386.858 3.700 20 30 GHEDLO CC(C)[N@H+]1CC[C@H](NC(=O)c2cnccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000580614630 837386869 /nfs/dbraw/zinc/38/68/69/837386869.db2.gz RORGSSSJVSOMPE-RBUKOAKNSA-N 1 2 386.858 3.700 20 30 GHEDLO C=CCOc1ccc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)cc1OC ZINC000180715221 837493184 /nfs/dbraw/zinc/49/31/84/837493184.db2.gz DJJNBDHXIMWKDA-RTWAWAEBSA-N 1 2 383.488 3.585 20 30 GHEDLO C=CCOc1ccc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)cc1OC ZINC000180715221 837493189 /nfs/dbraw/zinc/49/31/89/837493189.db2.gz DJJNBDHXIMWKDA-RTWAWAEBSA-N 1 2 383.488 3.585 20 30 GHEDLO Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023357646 834359102 /nfs/dbraw/zinc/35/91/02/834359102.db2.gz UDJNFSPJFKSJBT-KRWDZBQOSA-N 1 2 396.922 3.665 20 30 GHEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000118391870 834537893 /nfs/dbraw/zinc/53/78/93/834537893.db2.gz XGJSUABNCMFMJG-XXAPSYRMSA-N 1 2 377.532 3.980 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[NH+]1CCSCC1 ZINC000131319001 835183089 /nfs/dbraw/zinc/18/30/89/835183089.db2.gz BTUQSXUCOWZELO-QGZVFWFLSA-N 1 2 395.528 3.707 20 30 GHEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(c2ccnc3ccccc32)CC1 ZINC000584002037 835392348 /nfs/dbraw/zinc/39/23/48/835392348.db2.gz JXNKHEPVQCZGND-UHFFFAOYSA-N 1 2 376.485 3.986 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000612174356 835778143 /nfs/dbraw/zinc/77/81/43/835778143.db2.gz FECCOCBUTRDEJY-XJKSGUPXSA-N 1 2 399.491 3.728 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000612174356 835778153 /nfs/dbraw/zinc/77/81/53/835778153.db2.gz FECCOCBUTRDEJY-XJKSGUPXSA-N 1 2 399.491 3.728 20 30 GHEDLO CC(C)Oc1ccc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1C#N ZINC000157754770 836136398 /nfs/dbraw/zinc/13/63/98/836136398.db2.gz BEOMZCLTTMYHPE-UHFFFAOYSA-N 1 2 384.505 3.757 20 30 GHEDLO Cc1cccc(NC(=O)C[N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)c1C ZINC000179885472 836266015 /nfs/dbraw/zinc/26/60/15/836266015.db2.gz UXTYLOQQKXVWKX-UHFFFAOYSA-N 1 2 387.487 3.646 20 30 GHEDLO Cc1cccc(NC(=O)C[N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)c1C ZINC000179885472 836266024 /nfs/dbraw/zinc/26/60/24/836266024.db2.gz UXTYLOQQKXVWKX-UHFFFAOYSA-N 1 2 387.487 3.646 20 30 GHEDLO N#Cc1ccc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1C(F)(F)F ZINC000174092322 836379028 /nfs/dbraw/zinc/37/90/28/836379028.db2.gz BLARSOQHKOPIOD-UHFFFAOYSA-N 1 2 389.381 3.763 20 30 GHEDLO N#Cc1ccc(C[NH2+][C@@H](CO)c2ccc(Br)cc2C(F)(F)F)o1 ZINC000280286452 836481964 /nfs/dbraw/zinc/48/19/64/836481964.db2.gz NURAAOWEIMLONT-AWEZNQCLSA-N 1 2 389.171 3.756 20 30 GHEDLO Cc1cc([C@@H]2C[N@H+](Cc3cn(C)nc3-c3ccc(C#N)cc3)CCO2)ccc1F ZINC000180194541 836636850 /nfs/dbraw/zinc/63/68/50/836636850.db2.gz CVBPCCIGHBXDMZ-QFIPXVFZSA-N 1 2 390.462 3.980 20 30 GHEDLO Cc1cc([C@@H]2C[N@@H+](Cc3cn(C)nc3-c3ccc(C#N)cc3)CCO2)ccc1F ZINC000180194541 836636855 /nfs/dbraw/zinc/63/68/55/836636855.db2.gz CVBPCCIGHBXDMZ-QFIPXVFZSA-N 1 2 390.462 3.980 20 30 GHEDLO Cn1cc(C[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180060255 836980389 /nfs/dbraw/zinc/98/03/89/836980389.db2.gz HKHGLRJDZYSIFC-OAQYLSRUSA-N 1 2 376.435 3.671 20 30 GHEDLO Cn1cc(C[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180060255 836980398 /nfs/dbraw/zinc/98/03/98/836980398.db2.gz HKHGLRJDZYSIFC-OAQYLSRUSA-N 1 2 376.435 3.671 20 30 GHEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)NC2(CCCCCCC2)C1=O ZINC000108221528 844279653 /nfs/dbraw/zinc/27/96/53/844279653.db2.gz YIEISIXLBZKXGI-UHFFFAOYSA-N 1 2 382.508 3.763 20 30 GHEDLO CCC[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)NC2(CCCCCCC2)C1=O ZINC000108221528 844279656 /nfs/dbraw/zinc/27/96/56/844279656.db2.gz YIEISIXLBZKXGI-UHFFFAOYSA-N 1 2 382.508 3.763 20 30 GHEDLO C[C@@H](NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)c1cccc(C#N)c1 ZINC000610323981 838451307 /nfs/dbraw/zinc/45/13/07/838451307.db2.gz JQDSUUPXYKHTBC-IAGOWNOFSA-N 1 2 378.476 3.834 20 30 GHEDLO NC(=[NH+]OCc1ncc(Cl)cc1Cl)c1ccc(Br)cc1 ZINC000782949281 838504102 /nfs/dbraw/zinc/50/41/02/838504102.db2.gz SDAQKPMJORLFEN-UHFFFAOYSA-N 1 2 375.053 3.988 20 30 GHEDLO N#CC1(CC(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)CC1 ZINC000590143873 838684910 /nfs/dbraw/zinc/68/49/10/838684910.db2.gz TUHRWHQZRWBOBJ-UHFFFAOYSA-N 1 2 383.492 3.892 20 30 GHEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000378268862 838720072 /nfs/dbraw/zinc/72/00/72/838720072.db2.gz WZFKMYUFXVCNNQ-FQEVSTJZSA-N 1 2 386.455 3.500 20 30 GHEDLO C[C@H]1C[C@@H]1c1ccc(CCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000053175764 839052463 /nfs/dbraw/zinc/05/24/63/839052463.db2.gz ZOSWOFBRZXGOSR-UWJYYQICSA-N 1 2 377.488 3.552 20 30 GHEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000378422529 839084852 /nfs/dbraw/zinc/08/48/52/839084852.db2.gz BIENZJXJBHMIHO-HXUWFJFHSA-N 1 2 385.471 3.658 20 30 GHEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000610405965 839115868 /nfs/dbraw/zinc/11/58/68/839115868.db2.gz KOGOHCJQWSGNIP-JOCHJYFZSA-N 1 2 399.498 3.973 20 30 GHEDLO CC[N@@H+](Cc1ccc(C#N)cc1C)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000614397657 844420881 /nfs/dbraw/zinc/42/08/81/844420881.db2.gz MUNCKWFMAZOGEJ-UHFFFAOYSA-N 1 2 392.459 3.555 20 30 GHEDLO CC[N@H+](Cc1ccc(C#N)cc1C)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000614397657 844420886 /nfs/dbraw/zinc/42/08/86/844420886.db2.gz MUNCKWFMAZOGEJ-UHFFFAOYSA-N 1 2 392.459 3.555 20 30 GHEDLO Cc1ccc(-c2noc(CN3CC[NH+](Cc4ccc(C#N)cc4C)CC3)n2)cc1 ZINC000614395955 844429627 /nfs/dbraw/zinc/42/96/27/844429627.db2.gz DOERBPGJPPMBFV-UHFFFAOYSA-N 1 2 387.487 3.543 20 30 GHEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(NCc2cc(Br)no2)[nH+]1 ZINC001167496600 844460500 /nfs/dbraw/zinc/46/05/00/844460500.db2.gz LEUAOXYSTPHNIS-HDOHGRBBSA-N 1 2 399.314 3.634 20 30 GHEDLO C[N@H+](Cc1cc(Cl)cc(Cl)c1)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000477058559 841016747 /nfs/dbraw/zinc/01/67/47/841016747.db2.gz AOBRDDQSQJXNFP-KRWDZBQOSA-N 1 2 388.254 3.629 20 30 GHEDLO C[N@@H+](Cc1cc(Cl)cc(Cl)c1)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000477058559 841016753 /nfs/dbraw/zinc/01/67/53/841016753.db2.gz AOBRDDQSQJXNFP-KRWDZBQOSA-N 1 2 388.254 3.629 20 30 GHEDLO O=C(NCc1cc(Cl)c2c(c1)OCCCO2)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329255507 861208707 /nfs/dbraw/zinc/20/87/07/861208707.db2.gz AOKXJJHHMXDJBP-KRWDZBQOSA-N 1 2 394.899 3.601 20 30 GHEDLO O=C(NCc1cc(Cl)c2c(c1)OCCCO2)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329255507 861208725 /nfs/dbraw/zinc/20/87/25/861208725.db2.gz AOKXJJHHMXDJBP-KRWDZBQOSA-N 1 2 394.899 3.601 20 30 GHEDLO Cn1ncc(C(F)(F)F)c1CNc1cc[nH+]c(OCC(F)(F)C(F)F)c1 ZINC000656775001 841915570 /nfs/dbraw/zinc/91/55/70/841915570.db2.gz HQWNTGJXVUCPKD-UHFFFAOYSA-N 1 2 386.271 3.725 20 30 GHEDLO O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[N@@H+]1CCN1CCNC1=O ZINC000329312632 861277195 /nfs/dbraw/zinc/27/71/95/861277195.db2.gz ALNMVVWHTIVWHO-HNNXBMFYSA-N 1 2 385.295 3.666 20 30 GHEDLO O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[N@H+]1CCN1CCNC1=O ZINC000329312632 861277206 /nfs/dbraw/zinc/27/72/06/861277206.db2.gz ALNMVVWHTIVWHO-HNNXBMFYSA-N 1 2 385.295 3.666 20 30 GHEDLO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000131257029 861285835 /nfs/dbraw/zinc/28/58/35/861285835.db2.gz KRPIAPWJLOSGFZ-FQEVSTJZSA-N 1 2 388.446 3.685 20 30 GHEDLO O=C(C[N@@H+]1CC[C@H](n2ncc3ccccc32)C1)Nc1nc2c(s1)CCCC2 ZINC000329343046 861305881 /nfs/dbraw/zinc/30/58/81/861305881.db2.gz PWVRMKUIARHQQV-HNNXBMFYSA-N 1 2 381.505 3.907 20 30 GHEDLO O=C(C[N@H+]1CC[C@H](n2ncc3ccccc32)C1)Nc1nc2c(s1)CCCC2 ZINC000329343046 861305901 /nfs/dbraw/zinc/30/59/01/861305901.db2.gz PWVRMKUIARHQQV-HNNXBMFYSA-N 1 2 381.505 3.907 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC2(CCCC2=O)CC1 ZINC000661960314 842406496 /nfs/dbraw/zinc/40/64/96/842406496.db2.gz RGJOLCPKECALSH-MRXNPFEDSA-N 1 2 385.533 3.855 20 30 GHEDLO C=CCNC(=O)[C@H](C)N1CC[NH+]([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000588672707 842494398 /nfs/dbraw/zinc/49/43/98/842494398.db2.gz PCAHCROXWJAXOC-PGRDOPGGSA-N 1 2 397.950 3.738 20 30 GHEDLO C[C@H](c1cccc(NC(=O)c2cccc(SCC#N)c2)c1)[NH+]1CCOCC1 ZINC000430690709 842619840 /nfs/dbraw/zinc/61/98/40/842619840.db2.gz JCBCOKKDTCSMSO-MRXNPFEDSA-N 1 2 381.501 3.948 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000512182391 842805538 /nfs/dbraw/zinc/80/55/38/842805538.db2.gz RRXRVSNFCMHQQZ-ZWKOTPCHSA-N 1 2 382.504 3.906 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000512182391 842805546 /nfs/dbraw/zinc/80/55/46/842805546.db2.gz RRXRVSNFCMHQQZ-ZWKOTPCHSA-N 1 2 382.504 3.906 20 30 GHEDLO O=C1C=COC2(CC[NH+](Cc3nnc(-c4cccc5ccccc54)o3)CC2)C1 ZINC000933645553 842819972 /nfs/dbraw/zinc/81/99/72/842819972.db2.gz SNNNAXNSJSOMNW-UHFFFAOYSA-N 1 2 375.428 3.728 20 30 GHEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1Br ZINC000126055086 843134417 /nfs/dbraw/zinc/13/44/17/843134417.db2.gz FSZTVQITYJBZNY-RHSMWYFYSA-N 1 2 378.314 3.594 20 30 GHEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1c1ccccc1Br ZINC000126055086 843134426 /nfs/dbraw/zinc/13/44/26/843134426.db2.gz FSZTVQITYJBZNY-RHSMWYFYSA-N 1 2 378.314 3.594 20 30 GHEDLO N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(c4c[nH]c[nH+]4)CC3)cn2)cc1 ZINC000610583753 843184854 /nfs/dbraw/zinc/18/48/54/843184854.db2.gz DGFRMXSDLPWVNY-UHFFFAOYSA-N 1 2 388.431 3.880 20 30 GHEDLO N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(c4c[nH+]c[nH]4)CC3)cn2)cc1 ZINC000610583753 843184863 /nfs/dbraw/zinc/18/48/63/843184863.db2.gz DGFRMXSDLPWVNY-UHFFFAOYSA-N 1 2 388.431 3.880 20 30 GHEDLO Cc1cccn2cc(CCNC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)[nH+]c12 ZINC000610597707 843250576 /nfs/dbraw/zinc/25/05/76/843250576.db2.gz YSVALAHOJJQJOG-LEWJYISDSA-N 1 2 387.487 3.667 20 30 GHEDLO C[C@H](C(=O)NCC1CCCCC1)[N@@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000329439815 861425849 /nfs/dbraw/zinc/42/58/49/861425849.db2.gz MSCYJMQKSOJXLI-QGZVFWFLSA-N 1 2 389.515 3.899 20 30 GHEDLO C[C@H](C(=O)NCC1CCCCC1)[N@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000329439815 861425861 /nfs/dbraw/zinc/42/58/61/861425861.db2.gz MSCYJMQKSOJXLI-QGZVFWFLSA-N 1 2 389.515 3.899 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)CCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000500602989 843715403 /nfs/dbraw/zinc/71/54/03/843715403.db2.gz BOBBNYNJSCLAEM-IAGOWNOFSA-N 1 2 380.895 3.853 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)NCC(C)(C)CCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000500602989 843715408 /nfs/dbraw/zinc/71/54/08/843715408.db2.gz BOBBNYNJSCLAEM-IAGOWNOFSA-N 1 2 380.895 3.853 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@H](COC(F)F)C2)c1C#N ZINC000512842758 843865282 /nfs/dbraw/zinc/86/52/82/843865282.db2.gz BWVHEAHWEXZGQF-HNNXBMFYSA-N 1 2 394.466 3.591 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC[C@H](COC(F)F)C2)c1C#N ZINC000512842758 843865289 /nfs/dbraw/zinc/86/52/89/843865289.db2.gz BWVHEAHWEXZGQF-HNNXBMFYSA-N 1 2 394.466 3.591 20 30 GHEDLO Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000429828669 843912781 /nfs/dbraw/zinc/91/27/81/843912781.db2.gz KOTCNLIJPFAAOQ-QGZVFWFLSA-N 1 2 385.533 3.558 20 30 GHEDLO CC[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@@H](C)c1ccc(F)cc1 ZINC000728914210 843915210 /nfs/dbraw/zinc/91/52/10/843915210.db2.gz DDXQPTBYNBBTEA-KBXCAEBGSA-N 1 2 392.434 3.734 20 30 GHEDLO CC[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@@H](C)c1ccc(F)cc1 ZINC000728914210 843915217 /nfs/dbraw/zinc/91/52/17/843915217.db2.gz DDXQPTBYNBBTEA-KBXCAEBGSA-N 1 2 392.434 3.734 20 30 GHEDLO COc1ccc([C@H]2CC[N@H+](CC(=O)Nc3sc(C)c(C)c3C#N)C2)cc1F ZINC000599675975 861472404 /nfs/dbraw/zinc/47/24/04/861472404.db2.gz BJHGGKMRRSIEQB-HNNXBMFYSA-N 1 2 387.480 3.812 20 30 GHEDLO COc1ccc([C@H]2CC[N@@H+](CC(=O)Nc3sc(C)c(C)c3C#N)C2)cc1F ZINC000599675975 861472410 /nfs/dbraw/zinc/47/24/10/861472410.db2.gz BJHGGKMRRSIEQB-HNNXBMFYSA-N 1 2 387.480 3.812 20 30 GHEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(c3ccc(Cl)cc3)CC2)cc1 ZINC000185792065 861488490 /nfs/dbraw/zinc/48/84/90/861488490.db2.gz SGAUXQFLYDEKLO-UHFFFAOYSA-N 1 2 388.920 3.865 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)c(F)c1 ZINC000512798115 845555239 /nfs/dbraw/zinc/55/52/39/845555239.db2.gz SXFWLVBFRMKYID-UHFFFAOYSA-N 1 2 378.407 3.791 20 30 GHEDLO Cc1ccc(NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c(C)c1 ZINC000512806328 845585436 /nfs/dbraw/zinc/58/54/36/845585436.db2.gz UFYBPZICHASWED-UHFFFAOYSA-N 1 2 381.451 3.796 20 30 GHEDLO N#CCOc1ccc(C[N@@H+]2CCCC[C@H]2c2nnc(C3CCOCC3)o2)cc1 ZINC000277388617 845943153 /nfs/dbraw/zinc/94/31/53/845943153.db2.gz JIEVZSPVOHXUOL-IBGZPJMESA-N 1 2 382.464 3.593 20 30 GHEDLO N#CCOc1ccc(C[N@H+]2CCCC[C@H]2c2nnc(C3CCOCC3)o2)cc1 ZINC000277388617 845943159 /nfs/dbraw/zinc/94/31/59/845943159.db2.gz JIEVZSPVOHXUOL-IBGZPJMESA-N 1 2 382.464 3.593 20 30 GHEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000280732391 846514158 /nfs/dbraw/zinc/51/41/58/846514158.db2.gz RDELJGDGXJKSLN-KKSFZXQISA-N 1 2 378.476 3.705 20 30 GHEDLO Cc1cc(CNC(=O)NC2CCC(Oc3ccccc3C#N)CC2)cc(C)[nH+]1 ZINC000422167447 846865777 /nfs/dbraw/zinc/86/57/77/846865777.db2.gz RCAQINMMUJBBBB-UHFFFAOYSA-N 1 2 378.476 3.760 20 30 GHEDLO N#CC1(c2ccc(-c3nc([C@H]4C[N@H+](Cc5ccccc5)CCO4)no3)cc2)CC1 ZINC000272654982 847136156 /nfs/dbraw/zinc/13/61/56/847136156.db2.gz NQFHOBQAADHRGQ-HXUWFJFHSA-N 1 2 386.455 3.865 20 30 GHEDLO N#CC1(c2ccc(-c3nc([C@H]4C[N@@H+](Cc5ccccc5)CCO4)no3)cc2)CC1 ZINC000272654982 847136163 /nfs/dbraw/zinc/13/61/63/847136163.db2.gz NQFHOBQAADHRGQ-HXUWFJFHSA-N 1 2 386.455 3.865 20 30 GHEDLO N#CC1(c2ccc(-c3nc([C@@H]4C[N@H+](Cc5ccccc5)CCO4)no3)cc2)CC1 ZINC000272654976 847136275 /nfs/dbraw/zinc/13/62/75/847136275.db2.gz NQFHOBQAADHRGQ-FQEVSTJZSA-N 1 2 386.455 3.865 20 30 GHEDLO N#CC1(c2ccc(-c3nc([C@@H]4C[N@@H+](Cc5ccccc5)CCO4)no3)cc2)CC1 ZINC000272654976 847136281 /nfs/dbraw/zinc/13/62/81/847136281.db2.gz NQFHOBQAADHRGQ-FQEVSTJZSA-N 1 2 386.455 3.865 20 30 GHEDLO C[C@@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[NH+]1CCC(C#N)CC1 ZINC000503553171 847793443 /nfs/dbraw/zinc/79/34/43/847793443.db2.gz YESJZISLPYFMHH-AWEZNQCLSA-N 1 2 382.489 3.563 20 30 GHEDLO CCN(CCC#N)C(=O)C[NH2+][C@@H](c1ccc(OC)cc1)c1ccccc1Cl ZINC000121888515 848238224 /nfs/dbraw/zinc/23/82/24/848238224.db2.gz XAJHUDJAGRLDBH-NRFANRHFSA-N 1 2 385.895 3.790 20 30 GHEDLO N#CCCCOc1cccc(CNc2ccc[nH+]c2N2CCC(CO)CC2)c1 ZINC000180299981 862060841 /nfs/dbraw/zinc/06/08/41/862060841.db2.gz XNNIVLXEIOQGAV-UHFFFAOYSA-N 1 2 380.492 3.585 20 30 GHEDLO C[N@@H+]1CCO[C@@H]([C@@H](Nc2c(C#N)cccc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000425244558 849898963 /nfs/dbraw/zinc/89/89/63/849898963.db2.gz HULLEJMGCHLXSD-MJGOQNOKSA-N 1 2 386.839 3.604 20 30 GHEDLO C[N@H+]1CCO[C@@H]([C@@H](Nc2c(C#N)cccc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000425244558 849898972 /nfs/dbraw/zinc/89/89/72/849898972.db2.gz HULLEJMGCHLXSD-MJGOQNOKSA-N 1 2 386.839 3.604 20 30 GHEDLO C#Cc1ccc(C(=O)N(CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)nc1 ZINC000732115885 862073727 /nfs/dbraw/zinc/07/37/27/862073727.db2.gz PHSSAPJHFJXLDO-UHFFFAOYSA-N 1 2 396.853 3.785 20 30 GHEDLO CCc1ccc(C[NH+]2CCN(C(=O)C3(c4cccc(C#N)c4)CC3)CC2)s1 ZINC000435088204 850064429 /nfs/dbraw/zinc/06/44/29/850064429.db2.gz SFQSNKBFHIRDLC-UHFFFAOYSA-N 1 2 379.529 3.558 20 30 GHEDLO Cc1cc(C[NH+]2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)ccc1C#N ZINC000486798858 850108133 /nfs/dbraw/zinc/10/81/33/850108133.db2.gz LFGGSTVRDZZGTG-UHFFFAOYSA-N 1 2 387.405 3.844 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)cc1Cl ZINC000481711460 862112717 /nfs/dbraw/zinc/11/27/17/862112717.db2.gz ZNIRNDQHBDQRBO-NRFANRHFSA-N 1 2 381.863 3.672 20 30 GHEDLO C=CCn1c(-c2ccccc2OC)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000908661715 850254980 /nfs/dbraw/zinc/25/49/80/850254980.db2.gz GGEFOHQOIPQTEV-UHFFFAOYSA-N 1 2 390.491 3.616 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)cc1Cl ZINC000481711460 862112721 /nfs/dbraw/zinc/11/27/21/862112721.db2.gz ZNIRNDQHBDQRBO-NRFANRHFSA-N 1 2 381.863 3.672 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)/C=C\c3nc4ccccc4s3)CC2)cc1 ZINC000899894573 862130559 /nfs/dbraw/zinc/13/05/59/862130559.db2.gz NJRRJJUHODZKTR-KTKRTIGZSA-N 1 2 388.496 3.526 20 30 GHEDLO C=CCC1(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CCOCC1 ZINC000424770789 850687360 /nfs/dbraw/zinc/68/73/60/850687360.db2.gz NWUWTVCYRHSDCR-ROUUACIJSA-N 1 2 380.891 3.713 20 30 GHEDLO C=CCC1(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CCOCC1 ZINC000424770789 850687367 /nfs/dbraw/zinc/68/73/67/850687367.db2.gz NWUWTVCYRHSDCR-ROUUACIJSA-N 1 2 380.891 3.713 20 30 GHEDLO C=CC[N@H+](CC(=O)N1CCCc2cc(OC)ccc21)Cc1ccc(OC)cc1 ZINC000515509098 851106624 /nfs/dbraw/zinc/10/66/24/851106624.db2.gz TZTGGAJQEJSMFO-UHFFFAOYSA-N 1 2 380.488 3.671 20 30 GHEDLO C=CC[N@@H+](CC(=O)N1CCCc2cc(OC)ccc21)Cc1ccc(OC)cc1 ZINC000515509098 851106629 /nfs/dbraw/zinc/10/66/29/851106629.db2.gz TZTGGAJQEJSMFO-UHFFFAOYSA-N 1 2 380.488 3.671 20 30 GHEDLO COCC[N@H+](CC(=O)N(C1CC1)C1CCC(C)CC1)Cc1ccc(C#N)cc1 ZINC000604493160 862252525 /nfs/dbraw/zinc/25/25/25/862252525.db2.gz ICROEUDCYUICPI-UHFFFAOYSA-N 1 2 383.536 3.576 20 30 GHEDLO COCC[N@@H+](CC(=O)N(C1CC1)C1CCC(C)CC1)Cc1ccc(C#N)cc1 ZINC000604493160 862252545 /nfs/dbraw/zinc/25/25/45/862252545.db2.gz ICROEUDCYUICPI-UHFFFAOYSA-N 1 2 383.536 3.576 20 30 GHEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H](C)NC(=O)C2CCCCC2)CC1 ZINC000329741471 862285247 /nfs/dbraw/zinc/28/52/47/862285247.db2.gz OPKRMDSATKUTRT-JKSUJKDBSA-N 1 2 377.554 3.879 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)c(OC(F)F)c1 ZINC000488967424 851901014 /nfs/dbraw/zinc/90/10/14/851901014.db2.gz CFBCBCOECSHNTR-OAHLLOKOSA-N 1 2 377.366 3.737 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)c(OC(F)F)c1 ZINC000488967424 851901017 /nfs/dbraw/zinc/90/10/17/851901017.db2.gz CFBCBCOECSHNTR-OAHLLOKOSA-N 1 2 377.366 3.737 20 30 GHEDLO O=C(Cc1cccc(F)c1)N1CCC[N@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000438077164 851991646 /nfs/dbraw/zinc/99/16/46/851991646.db2.gz LFOJSZBMAKVPBF-UHFFFAOYSA-N 1 2 384.882 3.608 20 30 GHEDLO O=C(Cc1cccc(F)c1)N1CCC[N@@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000438077164 851991649 /nfs/dbraw/zinc/99/16/49/851991649.db2.gz LFOJSZBMAKVPBF-UHFFFAOYSA-N 1 2 384.882 3.608 20 30 GHEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000517486788 852012341 /nfs/dbraw/zinc/01/23/41/852012341.db2.gz IWJXKZODTQLHLD-OAOYMFHYSA-N 1 2 395.906 3.505 20 30 GHEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000517486788 852012348 /nfs/dbraw/zinc/01/23/48/852012348.db2.gz IWJXKZODTQLHLD-OAOYMFHYSA-N 1 2 395.906 3.505 20 30 GHEDLO CSc1[nH]c(=O)c(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)cc1C#N ZINC000516005345 852037736 /nfs/dbraw/zinc/03/77/36/852037736.db2.gz MHUNBKAPJFFJNJ-UHFFFAOYSA-N 1 2 396.516 3.661 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)N2CCC(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180810269 862354765 /nfs/dbraw/zinc/35/47/65/862354765.db2.gz SGWXJXPVZOOHSG-ROUUACIJSA-N 1 2 378.879 3.560 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)N2CCC(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180810269 862354783 /nfs/dbraw/zinc/35/47/83/862354783.db2.gz SGWXJXPVZOOHSG-ROUUACIJSA-N 1 2 378.879 3.560 20 30 GHEDLO C[C@@H]1C(=O)CC[C@H](C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1(C)C ZINC000329925179 862428541 /nfs/dbraw/zinc/42/85/41/862428541.db2.gz JPLAFEKMRVSLJD-QZTJIDSGSA-N 1 2 378.557 3.867 20 30 GHEDLO O=C(N=c1nc(-c2ccccc2)[nH]s1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000329987701 862481139 /nfs/dbraw/zinc/48/11/39/862481139.db2.gz GJSKZMUJZZQYTQ-UHFFFAOYSA-N 1 2 385.537 3.750 20 30 GHEDLO N#Cc1nc(C2CC2)oc1N1CCN(c2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000587169227 853645590 /nfs/dbraw/zinc/64/55/90/853645590.db2.gz BDCFOTKSKNFMDH-UHFFFAOYSA-N 1 2 379.851 3.952 20 30 GHEDLO CC[C@@H]1C[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)CCCO1 ZINC000439485586 853712215 /nfs/dbraw/zinc/71/22/15/853712215.db2.gz IYCKVLALAWVNAO-LJQANCHMSA-N 1 2 398.482 3.544 20 30 GHEDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)CCCO1 ZINC000439485586 853712223 /nfs/dbraw/zinc/71/22/23/853712223.db2.gz IYCKVLALAWVNAO-LJQANCHMSA-N 1 2 398.482 3.544 20 30 GHEDLO COC1(CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CCC(C)CC1 ZINC000330034435 862520995 /nfs/dbraw/zinc/52/09/95/862520995.db2.gz WLKPVFVUSKDUBG-UHFFFAOYSA-N 1 2 388.556 3.908 20 30 GHEDLO COc1cc(C#N)ccc1OCCN1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000441361295 854132024 /nfs/dbraw/zinc/13/20/24/854132024.db2.gz FSEQWLPVUAEKTL-QGZVFWFLSA-N 1 2 399.922 3.978 20 30 GHEDLO N#Cc1cc(Br)ccc1C[NH+]1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000588199231 854212181 /nfs/dbraw/zinc/21/21/81/854212181.db2.gz YYFKVVBDTRGREJ-ROUUACIJSA-N 1 2 382.305 3.889 20 30 GHEDLO CC[C@@H]1C[N@H+](CC(=O)NCC2(c3ccccc3)CCCC2)C[C@]2(CCOC2)O1 ZINC000330061965 862545645 /nfs/dbraw/zinc/54/56/45/862545645.db2.gz AKOUEVPNARCHCF-OFNKIYASSA-N 1 2 386.536 3.725 20 30 GHEDLO CC[C@@H]1C[N@@H+](CC(=O)NCC2(c3ccccc3)CCCC2)C[C@]2(CCOC2)O1 ZINC000330061965 862545654 /nfs/dbraw/zinc/54/56/54/862545654.db2.gz AKOUEVPNARCHCF-OFNKIYASSA-N 1 2 386.536 3.725 20 30 GHEDLO C[C@@H]1C[N@H+](CC(=O)NCC2(c3ccccc3)CCCCC2)C[C@@]2(CCOC2)O1 ZINC000330065885 862548524 /nfs/dbraw/zinc/54/85/24/862548524.db2.gz DHSWFBFJXWJLIH-AUSIDOKSSA-N 1 2 386.536 3.725 20 30 GHEDLO C[C@@H]1C[N@@H+](CC(=O)NCC2(c3ccccc3)CCCCC2)C[C@@]2(CCOC2)O1 ZINC000330065885 862548538 /nfs/dbraw/zinc/54/85/38/862548538.db2.gz DHSWFBFJXWJLIH-AUSIDOKSSA-N 1 2 386.536 3.725 20 30 GHEDLO CC(C)Oc1ncccc1NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000328649931 854489016 /nfs/dbraw/zinc/48/90/16/854489016.db2.gz IYGUTYHUZAARLW-MRXNPFEDSA-N 1 2 383.496 3.827 20 30 GHEDLO Cc1ncsc1CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000328816236 854547507 /nfs/dbraw/zinc/54/75/07/854547507.db2.gz GMVPITGBQBXAIE-ZBFHGGJFSA-N 1 2 382.892 3.693 20 30 GHEDLO Cc1ncsc1CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000328816236 854547509 /nfs/dbraw/zinc/54/75/09/854547509.db2.gz GMVPITGBQBXAIE-ZBFHGGJFSA-N 1 2 382.892 3.693 20 30 GHEDLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000328796404 854560060 /nfs/dbraw/zinc/56/00/60/854560060.db2.gz DBVNDOBLYOBGMK-JOCHJYFZSA-N 1 2 391.475 3.590 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CCC(=O)NC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000328862603 854584290 /nfs/dbraw/zinc/58/42/90/854584290.db2.gz ZCRUNLMKSZDHSI-POZUXBRTSA-N 1 2 383.414 3.952 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)[C@]2(C)CCC(=O)NC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000328862603 854584300 /nfs/dbraw/zinc/58/43/00/854584300.db2.gz ZCRUNLMKSZDHSI-POZUXBRTSA-N 1 2 383.414 3.952 20 30 GHEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2cc(O)cc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000589197249 854743125 /nfs/dbraw/zinc/74/31/25/854743125.db2.gz OVTOUEGBACLIAV-RTBURBONSA-N 1 2 387.842 3.622 20 30 GHEDLO CC[N@H+]1CC[C@@H](NC(=O)c2cc(O)cc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000589197249 854743131 /nfs/dbraw/zinc/74/31/31/854743131.db2.gz OVTOUEGBACLIAV-RTBURBONSA-N 1 2 387.842 3.622 20 30 GHEDLO COc1cc(C[NH2+][C@H](C)c2nnn(-c3cccc(Cl)c3)c2C)ccc1C#N ZINC000589344506 854800789 /nfs/dbraw/zinc/80/07/89/854800789.db2.gz UXJBKNDSWUSDOX-CYBMUJFWSA-N 1 2 381.867 3.960 20 30 GHEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)Cc2cccc(OCC#N)c2)c(C)c1 ZINC000760590567 862629939 /nfs/dbraw/zinc/62/99/39/862629939.db2.gz MZENGZFQNIARJN-JOCHJYFZSA-N 1 2 388.471 3.503 20 30 GHEDLO C=C[C@](C)(CC)C(=O)N1CC[NH+](CCCc2nc(-c3ccc(C)cc3)no2)CC1 ZINC000190494432 855327149 /nfs/dbraw/zinc/32/71/49/855327149.db2.gz BJMRCTZAFOELHZ-HSZRJFAPSA-N 1 2 396.535 3.724 20 30 GHEDLO C=CCN(Cc1ccccc1F)C(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000543550928 862684575 /nfs/dbraw/zinc/68/45/75/862684575.db2.gz FSTIBANMBYMINN-UHFFFAOYSA-N 1 2 390.462 3.787 20 30 GHEDLO CC(C)c1nnc2ccc(NC(=O)N3CC[NH+]([C@@H](C)c4ccsc4)CC3)cn21 ZINC000330261663 862703050 /nfs/dbraw/zinc/70/30/50/862703050.db2.gz UKICOHFBHPTCDE-HNNXBMFYSA-N 1 2 398.536 3.839 20 30 GHEDLO Cc1cc(NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)nc(C(C)C)[nH+]1 ZINC000301621719 855728382 /nfs/dbraw/zinc/72/83/82/855728382.db2.gz FMRVYBVCKKCRJR-UHFFFAOYSA-N 1 2 393.470 3.732 20 30 GHEDLO N#Cc1cnc2ccc(OC(F)F)cc2c1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000301789040 855758652 /nfs/dbraw/zinc/75/86/52/855758652.db2.gz XXJGSDHNWIISIW-CQSZACIVSA-N 1 2 381.386 3.794 20 30 GHEDLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000301899010 855777883 /nfs/dbraw/zinc/77/78/83/855777883.db2.gz SQGYIBVCUFZEFW-UHFFFAOYSA-N 1 2 376.464 3.501 20 30 GHEDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2nc3ccccn3c2C#N)CC1 ZINC000302186988 855831508 /nfs/dbraw/zinc/83/15/08/855831508.db2.gz PUFHASZCPHUIRO-GOSISDBHSA-N 1 2 381.430 3.757 20 30 GHEDLO COc1ccc(-c2noc(C[NH+]3CCC(Oc4ccc(C#N)cc4)CC3)n2)cc1 ZINC000507789389 855849982 /nfs/dbraw/zinc/84/99/82/855849982.db2.gz SSNGOCUOGWNSRG-UHFFFAOYSA-N 1 2 390.443 3.660 20 30 GHEDLO Cc1ccc(-c2noc([C@@H](C)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)n2)cc1 ZINC000026597647 855993664 /nfs/dbraw/zinc/99/36/64/855993664.db2.gz DBYILIRUGCMOBU-GOSISDBHSA-N 1 2 387.487 3.796 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)c(C#N)c1C ZINC000482152198 862746049 /nfs/dbraw/zinc/74/60/49/862746049.db2.gz QMNFEORVGZKEMW-UTKZUKDTSA-N 1 2 396.535 3.841 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)c(C#N)c1C ZINC000482152198 862746056 /nfs/dbraw/zinc/74/60/56/862746056.db2.gz QMNFEORVGZKEMW-UTKZUKDTSA-N 1 2 396.535 3.841 20 30 GHEDLO N#Cc1cccc(COc2ccc(NC(=O)NCCn3cc[nH+]c3)cc2Cl)c1 ZINC000171221079 856039230 /nfs/dbraw/zinc/03/92/30/856039230.db2.gz RQQHRICDESYLHT-UHFFFAOYSA-N 1 2 395.850 3.809 20 30 GHEDLO Cc1ccc2c(c1)N(CC(=O)Nc1nc(C[NH+]3CCCC3)cs1)C[C@@H](C)O2 ZINC000330298492 862760896 /nfs/dbraw/zinc/76/08/96/862760896.db2.gz HJRBHBIPACCZTJ-OAHLLOKOSA-N 1 2 386.521 3.923 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)N2CCC(CC#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000542851428 856138139 /nfs/dbraw/zinc/13/81/39/856138139.db2.gz SNZFPAJFIDIPQV-ROUUACIJSA-N 1 2 378.879 3.560 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)N2CCC(CC#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000542851428 856138144 /nfs/dbraw/zinc/13/81/44/856138144.db2.gz SNZFPAJFIDIPQV-ROUUACIJSA-N 1 2 378.879 3.560 20 30 GHEDLO N#Cc1ccsc1NC(=O)C[NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000109102872 856230136 /nfs/dbraw/zinc/23/01/36/856230136.db2.gz QYKMTQFVZFUFEW-IBGZPJMESA-N 1 2 390.468 3.528 20 30 GHEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000591773250 856292688 /nfs/dbraw/zinc/29/26/88/856292688.db2.gz FNEWIYQXXKXIII-QGZVFWFLSA-N 1 2 384.867 3.622 20 30 GHEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000591773250 856292694 /nfs/dbraw/zinc/29/26/94/856292694.db2.gz FNEWIYQXXKXIII-QGZVFWFLSA-N 1 2 384.867 3.622 20 30 GHEDLO Cc1ccc(F)cc1NC(=O)[C@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507821031 856432149 /nfs/dbraw/zinc/43/21/49/856432149.db2.gz CANMFKFXALAMNZ-INIZCTEOSA-N 1 2 381.451 3.876 20 30 GHEDLO C=CCSc1ccccc1C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000485453875 856548816 /nfs/dbraw/zinc/54/88/16/856548816.db2.gz HWDTZXYQNKTMSH-UHFFFAOYSA-N 1 2 381.545 3.964 20 30 GHEDLO C[C@H](O[NH+]=C(N)c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccccc1 ZINC000733303659 862847014 /nfs/dbraw/zinc/84/70/14/862847014.db2.gz DMUIGTSTRUOZEY-KRWDZBQOSA-N 1 2 389.455 3.930 20 30 GHEDLO C[C@@H](O[NH+]=C(N)c1ccc(F)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000733304191 862848793 /nfs/dbraw/zinc/84/87/93/862848793.db2.gz GMYXNLGXPPWZRB-LSDHHAIUSA-N 1 2 383.467 3.607 20 30 GHEDLO N#CCc1ccc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)cc1 ZINC000111715038 856986708 /nfs/dbraw/zinc/98/67/08/856986708.db2.gz FEUNZMIURFGCFU-QGZVFWFLSA-N 1 2 384.430 3.817 20 30 GHEDLO N#CCc1ccc(NC(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)cc1 ZINC000111715038 856986718 /nfs/dbraw/zinc/98/67/18/856986718.db2.gz FEUNZMIURFGCFU-QGZVFWFLSA-N 1 2 384.430 3.817 20 30 GHEDLO Cc1c2cc(C#N)ccc2sc1C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000428110803 857125683 /nfs/dbraw/zinc/12/56/83/857125683.db2.gz IREUCNKLMBFASA-KBPBESRZSA-N 1 2 385.533 3.699 20 30 GHEDLO C[C@@H]1CN(Cc2cc(C#N)ccc2F)[C@@H](C)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC000441909686 857351191 /nfs/dbraw/zinc/35/11/91/857351191.db2.gz MOXATYYTQHMSPV-IYBDPMFKSA-N 1 2 380.442 3.803 20 30 GHEDLO C[C@@H]1CN(Cc2cc(C#N)ccc2F)[C@@H](C)C[N@H+]1Cc1cc(C#N)ccc1F ZINC000441909686 857351204 /nfs/dbraw/zinc/35/12/04/857351204.db2.gz MOXATYYTQHMSPV-IYBDPMFKSA-N 1 2 380.442 3.803 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)[C@@H](C)CN1Cc1cc(C#N)ccc1F ZINC000441909686 857351208 /nfs/dbraw/zinc/35/12/08/857351208.db2.gz MOXATYYTQHMSPV-IYBDPMFKSA-N 1 2 380.442 3.803 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)[C@@H](C)CN1Cc1cc(C#N)ccc1F ZINC000441909686 857351217 /nfs/dbraw/zinc/35/12/17/857351217.db2.gz MOXATYYTQHMSPV-IYBDPMFKSA-N 1 2 380.442 3.803 20 30 GHEDLO Cc1nc2ccc(NC(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc2s1 ZINC000043375963 857440004 /nfs/dbraw/zinc/44/00/04/857440004.db2.gz VWCBWYWHCGMHLT-UHFFFAOYSA-N 1 2 391.500 3.826 20 30 GHEDLO N#Cc1cnn2cc(C[N@H+]3CCC[C@H]3c3ccccc3Br)cnc12 ZINC000592504050 857592958 /nfs/dbraw/zinc/59/29/58/857592958.db2.gz GOOYKZJPNPKONN-KRWDZBQOSA-N 1 2 382.265 3.701 20 30 GHEDLO N#Cc1cnn2cc(C[N@@H+]3CCC[C@H]3c3ccccc3Br)cnc12 ZINC000592504050 857592967 /nfs/dbraw/zinc/59/29/67/857592967.db2.gz GOOYKZJPNPKONN-KRWDZBQOSA-N 1 2 382.265 3.701 20 30 GHEDLO C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000593743980 857673598 /nfs/dbraw/zinc/67/35/98/857673598.db2.gz LGOPRVWFHVGRIM-CQSZACIVSA-N 1 2 390.409 3.722 20 30 GHEDLO C[N@H+](Cc1ccc2nc(NS(=O)(=O)c3cccc(C#N)c3)sc2c1)C1CC1 ZINC000594729303 858265902 /nfs/dbraw/zinc/26/59/02/858265902.db2.gz NDKLRXXAFHLGGQ-UHFFFAOYSA-N 1 2 398.513 3.563 20 30 GHEDLO C[N@@H+](Cc1ccc2nc(NS(=O)(=O)c3cccc(C#N)c3)sc2c1)C1CC1 ZINC000594729303 858265911 /nfs/dbraw/zinc/26/59/11/858265911.db2.gz NDKLRXXAFHLGGQ-UHFFFAOYSA-N 1 2 398.513 3.563 20 30 GHEDLO C=C1CC[NH+](CC(=O)NC(=O)Nc2ccc(OCCC)c(OCCC)c2)CC1 ZINC000521743334 858292449 /nfs/dbraw/zinc/29/24/49/858292449.db2.gz QEPNGJGLAZIRAB-UHFFFAOYSA-N 1 2 389.496 3.564 20 30 GHEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)cc1 ZINC000521820978 858355932 /nfs/dbraw/zinc/35/59/32/858355932.db2.gz LSLBBGNWZXITST-OAQYLSRUSA-N 1 2 393.537 3.945 20 30 GHEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)cc1 ZINC000521820978 858355941 /nfs/dbraw/zinc/35/59/41/858355941.db2.gz LSLBBGNWZXITST-OAQYLSRUSA-N 1 2 393.537 3.945 20 30 GHEDLO CSc1cccc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 ZINC000595353678 858516606 /nfs/dbraw/zinc/51/66/06/858516606.db2.gz JMPBIWIDSACWAU-UHFFFAOYSA-N 1 2 380.473 3.850 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443339276 858583462 /nfs/dbraw/zinc/58/34/62/858583462.db2.gz ZVBFAZCEJKWPJZ-GOSISDBHSA-N 1 2 399.535 3.754 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443339276 858583466 /nfs/dbraw/zinc/58/34/66/858583466.db2.gz ZVBFAZCEJKWPJZ-GOSISDBHSA-N 1 2 399.535 3.754 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593117415 858660470 /nfs/dbraw/zinc/66/04/70/858660470.db2.gz NBKALOPNELVQAW-KPZWWZAWSA-N 1 2 379.476 3.947 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593117415 858660476 /nfs/dbraw/zinc/66/04/76/858660476.db2.gz NBKALOPNELVQAW-KPZWWZAWSA-N 1 2 379.476 3.947 20 30 GHEDLO COc1cccc([C@@]2(C)CC[N@H+](CC(=O)Nc3sc(C)c(C)c3C#N)C2)c1 ZINC000595763463 858663516 /nfs/dbraw/zinc/66/35/16/858663516.db2.gz DVPKVRHACHDGBK-NRFANRHFSA-N 1 2 383.517 3.847 20 30 GHEDLO COc1cccc([C@@]2(C)CC[N@@H+](CC(=O)Nc3sc(C)c(C)c3C#N)C2)c1 ZINC000595763463 858663524 /nfs/dbraw/zinc/66/35/24/858663524.db2.gz DVPKVRHACHDGBK-NRFANRHFSA-N 1 2 383.517 3.847 20 30 GHEDLO C=CCOc1ccccc1C[N@H+](CC)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000160214493 858711692 /nfs/dbraw/zinc/71/16/92/858711692.db2.gz QKRVHVHQMPYCDU-UHFFFAOYSA-N 1 2 381.476 3.670 20 30 GHEDLO C=CCOc1ccccc1C[N@@H+](CC)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000160214493 858711698 /nfs/dbraw/zinc/71/16/98/858711698.db2.gz QKRVHVHQMPYCDU-UHFFFAOYSA-N 1 2 381.476 3.670 20 30 GHEDLO COC(=O)c1cnc([C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3C#N)C2)s1 ZINC000595918584 858733258 /nfs/dbraw/zinc/73/32/58/858733258.db2.gz IZUOHTFLNZWTAK-CYBMUJFWSA-N 1 2 375.881 3.834 20 30 GHEDLO COC(=O)c1cnc([C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3C#N)C2)s1 ZINC000595918584 858733261 /nfs/dbraw/zinc/73/32/61/858733261.db2.gz IZUOHTFLNZWTAK-CYBMUJFWSA-N 1 2 375.881 3.834 20 30 GHEDLO C[C@@H](c1nnc(Sc2cc(C#N)cnn2)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000596066075 858770680 /nfs/dbraw/zinc/77/06/80/858770680.db2.gz OPKQOMQEFQXAMA-HNNXBMFYSA-N 1 2 391.504 3.627 20 30 GHEDLO CC(C)(NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1cccc(C#N)c1 ZINC000596114072 858797569 /nfs/dbraw/zinc/79/75/69/858797569.db2.gz HRUMSGXTGYOHGK-UHFFFAOYSA-N 1 2 377.492 3.678 20 30 GHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCCc3ccc(C#N)cc3)n2)C1 ZINC000596440269 858898582 /nfs/dbraw/zinc/89/85/82/858898582.db2.gz BSGCMEBCIAFECK-HNNXBMFYSA-N 1 2 383.521 3.611 20 30 GHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCCc3ccc(C#N)cc3)n2)C1 ZINC000596440269 858898584 /nfs/dbraw/zinc/89/85/84/858898584.db2.gz BSGCMEBCIAFECK-HNNXBMFYSA-N 1 2 383.521 3.611 20 30 GHEDLO COCC[N@H+](CC(=O)N[C@@H](C)c1ccc(C)c(C)c1)Cc1ccc(C#N)cc1 ZINC000069072239 859328954 /nfs/dbraw/zinc/32/89/54/859328954.db2.gz KIJUMSWAJPKWGE-IBGZPJMESA-N 1 2 379.504 3.501 20 30 GHEDLO COCC[N@@H+](CC(=O)N[C@@H](C)c1ccc(C)c(C)c1)Cc1ccc(C#N)cc1 ZINC000069072239 859328965 /nfs/dbraw/zinc/32/89/65/859328965.db2.gz KIJUMSWAJPKWGE-IBGZPJMESA-N 1 2 379.504 3.501 20 30 GHEDLO C=CC[N@@H+](CC(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C)Cc1cccs1 ZINC000051824538 859347069 /nfs/dbraw/zinc/34/70/69/859347069.db2.gz DVEKDOVOXYXZFR-INIZCTEOSA-N 1 2 388.533 3.939 20 30 GHEDLO C=CC[N@H+](CC(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C)Cc1cccs1 ZINC000051824538 859347077 /nfs/dbraw/zinc/34/70/77/859347077.db2.gz DVEKDOVOXYXZFR-INIZCTEOSA-N 1 2 388.533 3.939 20 30 GHEDLO C=CCCS(=O)(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000120347492 881419135 /nfs/dbraw/zinc/41/91/35/881419135.db2.gz ARXJNTHNQYCWIE-UHFFFAOYSA-N 1 2 381.501 3.594 20 30 GHEDLO CC[C@@H](c1nnc(SC[C@@H](O)CC2(C#N)CC2)n1C1CCCCC1)[NH+](C)C ZINC000601954294 859657446 /nfs/dbraw/zinc/65/74/46/859657446.db2.gz QQOMJHLKXZKJDQ-IRXDYDNUSA-N 1 2 391.585 3.943 20 30 GHEDLO C[C@H](c1nnc(Sc2ccc(C#N)nn2)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000611239280 859659620 /nfs/dbraw/zinc/65/96/20/859659620.db2.gz LCWDGCBJVHMHAK-OAHLLOKOSA-N 1 2 391.504 3.627 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+]2CC[C@](C)(c3ccccc3)C2)c1=S ZINC000765076858 859767838 /nfs/dbraw/zinc/76/78/38/859767838.db2.gz JMQVBPFDUFQZFJ-NRFANRHFSA-N 1 2 392.532 3.678 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+]2CC[C@](C)(c3ccccc3)C2)c1=S ZINC000765076858 859767841 /nfs/dbraw/zinc/76/78/41/859767841.db2.gz JMQVBPFDUFQZFJ-NRFANRHFSA-N 1 2 392.532 3.678 20 30 GHEDLO C[C@@H](c1ccccn1)[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000161249655 859769399 /nfs/dbraw/zinc/76/93/99/859769399.db2.gz FYUZABRVOPVKKJ-HNAYVOBHSA-N 1 2 385.309 3.788 20 30 GHEDLO CC(C)C[C@@H](C(=O)N[C@H](C#N)c1ccccc1Br)n1cc[nH+]c1 ZINC000602099277 859775779 /nfs/dbraw/zinc/77/57/79/859775779.db2.gz ZEBKOXWOKQIUKP-CVEARBPZSA-N 1 2 375.270 3.614 20 30 GHEDLO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000602103819 859777369 /nfs/dbraw/zinc/77/73/69/859777369.db2.gz CZYDYFDDCSDLAY-BRWVUGGUSA-N 1 2 376.382 3.675 20 30 GHEDLO N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)cc2F)c1 ZINC000161367589 859903367 /nfs/dbraw/zinc/90/33/67/859903367.db2.gz FVQGEGUTKXKERX-KRWDZBQOSA-N 1 2 390.418 3.674 20 30 GHEDLO C[C@H]([C@H](C)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[NH+]1CCOCC1 ZINC000729552322 860250555 /nfs/dbraw/zinc/25/05/55/860250555.db2.gz DDEPKLYGJWQFJB-NJNPRVFISA-N 1 2 392.503 3.573 20 30 GHEDLO C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602864851 860320217 /nfs/dbraw/zinc/32/02/17/860320217.db2.gz QUZNJLDUDZGBRY-ZCNNSNEGSA-N 1 2 390.531 3.523 20 30 GHEDLO C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602864851 860320227 /nfs/dbraw/zinc/32/02/27/860320227.db2.gz QUZNJLDUDZGBRY-ZCNNSNEGSA-N 1 2 390.531 3.523 20 30 GHEDLO C=CCCC[C@@H]([NH3+])c1nc(CS(=O)(=O)c2cc(Cl)ccc2Cl)no1 ZINC000904652086 860545134 /nfs/dbraw/zinc/54/51/34/860545134.db2.gz LWDMFJBRIBYTKM-GFCCVEGCSA-N 1 2 390.292 3.706 20 30 GHEDLO N#CCc1ccc(NC(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)cc1 ZINC000125313863 860637398 /nfs/dbraw/zinc/63/73/98/860637398.db2.gz PTZDMDPTXWUYTH-UHFFFAOYSA-N 1 2 398.894 3.635 20 30 GHEDLO N#Cc1cccc(COc2cccc(C[N@H+](CC(N)=O)Cc3ccccc3)c2)c1 ZINC000125978736 860863915 /nfs/dbraw/zinc/86/39/15/860863915.db2.gz HFGXEFICCKHLDJ-UHFFFAOYSA-N 1 2 385.467 3.625 20 30 GHEDLO N#Cc1cccc(COc2cccc(C[N@@H+](CC(N)=O)Cc3ccccc3)c2)c1 ZINC000125978736 860863925 /nfs/dbraw/zinc/86/39/25/860863925.db2.gz HFGXEFICCKHLDJ-UHFFFAOYSA-N 1 2 385.467 3.625 20 30 GHEDLO CCOc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)cc1 ZINC000603647364 860950057 /nfs/dbraw/zinc/95/00/57/860950057.db2.gz PRJFBPDXSLUKME-UHFFFAOYSA-N 1 2 398.894 3.960 20 30 GHEDLO Cc1c(Cl)cccc1C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000329058096 860982110 /nfs/dbraw/zinc/98/21/10/860982110.db2.gz YIJZRDSNDMTTAD-VQIMIIECSA-N 1 2 386.883 3.581 20 30 GHEDLO CCC(=O)N1CSC[C@H]1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000329108311 861023791 /nfs/dbraw/zinc/02/37/91/861023791.db2.gz PLJVSNAWQPXCBG-KRWDZBQOSA-N 1 2 384.505 3.786 20 30 GHEDLO Cc1oc2nc(C[NH+]3CCC(NC(=O)c4ccccc4C)CC3)nc(N)c2c1C ZINC000329160318 861089248 /nfs/dbraw/zinc/08/92/48/861089248.db2.gz YCDXBRGUAYDORQ-UHFFFAOYSA-N 1 2 393.491 3.699 20 30 GHEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000593965615 863533569 /nfs/dbraw/zinc/53/35/69/863533569.db2.gz VVZSJZXQZULHHF-IPMKNSEASA-N 1 2 391.515 3.985 20 30 GHEDLO Cc1ccc2c(ncc(C#N)c2N(C)CCCn2cc[nH+]c2)c1Br ZINC000480088126 864010879 /nfs/dbraw/zinc/01/08/79/864010879.db2.gz ZXNXUFUCQVCDFJ-UHFFFAOYSA-N 1 2 384.281 3.900 20 30 GHEDLO Cc1[nH+]cc(CN=Nc2nccnc2Cl)n1-c1ccc(Br)cc1 ZINC000734979762 864574114 /nfs/dbraw/zinc/57/41/14/864574114.db2.gz UNEWZCODGHKZJQ-UHFFFAOYSA-N 1 2 391.660 3.833 20 30 GHEDLO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1nc(-c2ccccc2)cs1 ZINC000184522829 864626059 /nfs/dbraw/zinc/62/60/59/864626059.db2.gz VKDSRUILCXMZDR-OAHLLOKOSA-N 1 2 397.525 3.806 20 30 GHEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000475284175 864712637 /nfs/dbraw/zinc/71/26/37/864712637.db2.gz VZKZDUYWWVPOKU-KRWDZBQOSA-N 1 2 380.492 3.606 20 30 GHEDLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1cc(Cl)ccc1OCC#N ZINC000735305657 864718298 /nfs/dbraw/zinc/71/82/98/864718298.db2.gz BHCZQQDZUQQYGY-UHFFFAOYSA-N 1 2 387.867 3.712 20 30 GHEDLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1cc(Cl)ccc1OCC#N ZINC000735305657 864718306 /nfs/dbraw/zinc/71/83/06/864718306.db2.gz BHCZQQDZUQQYGY-UHFFFAOYSA-N 1 2 387.867 3.712 20 30 GHEDLO CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc3[nH+]c(C)cn3c2)ccc1OC ZINC000738920668 865673804 /nfs/dbraw/zinc/67/38/04/865673804.db2.gz VHFMGSWBRQSVPE-KRWDZBQOSA-N 1 2 393.447 3.654 20 30 GHEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000594342780 865902249 /nfs/dbraw/zinc/90/22/49/865902249.db2.gz JYQGNQIRYPNDRX-INIZCTEOSA-N 1 2 381.907 3.565 20 30 GHEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000594342780 865902258 /nfs/dbraw/zinc/90/22/58/865902258.db2.gz JYQGNQIRYPNDRX-INIZCTEOSA-N 1 2 381.907 3.565 20 30 GHEDLO O=C(/C=C\c1c[nH+]c2ccc(Cl)cn12)c1ccc(N2CCOCC2)c(F)c1 ZINC000737442299 866699841 /nfs/dbraw/zinc/69/98/41/866699841.db2.gz BNMYTWRGKVABAF-HYXAFXHYSA-N 1 2 385.826 3.860 20 30 GHEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)c1C#N ZINC000534471958 866874970 /nfs/dbraw/zinc/87/49/70/866874970.db2.gz FSLRMNGQUNKHDY-HXUWFJFHSA-N 1 2 378.472 3.569 20 30 GHEDLO COC(=O)c1cccc(C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)c1C#N ZINC000534471958 866874987 /nfs/dbraw/zinc/87/49/87/866874987.db2.gz FSLRMNGQUNKHDY-HXUWFJFHSA-N 1 2 378.472 3.569 20 30 GHEDLO Cc1cccc2c1ncc(C#N)c2NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000742417361 867283450 /nfs/dbraw/zinc/28/34/50/867283450.db2.gz OHMIGZVVJRYZKT-UHFFFAOYSA-N 1 2 385.515 3.984 20 30 GHEDLO Cc1ccc(C)c(Oc2ccc(C[NH2+][C@H](C(N)=O)c3ccc(C#N)cc3)cn2)c1 ZINC000523735292 867870550 /nfs/dbraw/zinc/87/05/50/867870550.db2.gz FMRLQZVBEBRKMA-QFIPXVFZSA-N 1 2 386.455 3.679 20 30 GHEDLO C[S@@](=O)C[C@H]([NH2+]Cc1ccc(Br)cc1C#N)c1ccccc1 ZINC000553878400 868361407 /nfs/dbraw/zinc/36/14/07/868361407.db2.gz DQVCDBDZUMUUNI-HTAPYJJXSA-N 1 2 377.307 3.530 20 30 GHEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)c(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000457718504 868679828 /nfs/dbraw/zinc/67/98/28/868679828.db2.gz VVFVKJGGABQEAW-MJGOQNOKSA-N 1 2 386.858 3.620 20 30 GHEDLO CC[N@H+]1CC[C@@H](NC(=O)c2cc(C)c(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000457718504 868679833 /nfs/dbraw/zinc/67/98/33/868679833.db2.gz VVFVKJGGABQEAW-MJGOQNOKSA-N 1 2 386.858 3.620 20 30 GHEDLO CC(C)[C@@H](Cc1ccccc1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000524253024 868776089 /nfs/dbraw/zinc/77/60/89/868776089.db2.gz SCZBZNIAJDMFHD-HSZRJFAPSA-N 1 2 375.516 3.717 20 30 GHEDLO CC[C@H](C#N)Oc1cccc(CNC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)c1 ZINC000793509769 882231611 /nfs/dbraw/zinc/23/16/11/882231611.db2.gz OPSSJEXTGUYKBA-OAHLLOKOSA-N 1 2 398.413 3.620 20 30 GHEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cc(Br)ccc3F)C2)nc1 ZINC000428785786 869157893 /nfs/dbraw/zinc/15/78/93/869157893.db2.gz VOAOOCJGFPNPDD-HNNXBMFYSA-N 1 2 376.229 3.508 20 30 GHEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cc(Br)ccc3F)C2)nc1 ZINC000428785786 869157896 /nfs/dbraw/zinc/15/78/96/869157896.db2.gz VOAOOCJGFPNPDD-HNNXBMFYSA-N 1 2 376.229 3.508 20 30 GHEDLO N#Cc1cccc(OCc2cccc(C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)c2)c1 ZINC000152825418 869243119 /nfs/dbraw/zinc/24/31/19/869243119.db2.gz UBYQOSHJPSMBNY-OAQYLSRUSA-N 1 2 398.466 3.541 20 30 GHEDLO Cc1ccc(O[C@@H](C)C(=O)N2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)c(C)c1 ZINC000524591679 869317943 /nfs/dbraw/zinc/31/79/43/869317943.db2.gz POWAUORIALQFEU-PMACEKPBSA-N 1 2 391.515 3.848 20 30 GHEDLO CCC1CCC2(CC1)NC(=O)N(C[N@H+](Cc1ccc(C#N)cc1)C(C)C)C2=O ZINC000746032854 869959465 /nfs/dbraw/zinc/95/94/65/869959465.db2.gz LZJGOTWMZGMQDA-UHFFFAOYSA-N 1 2 382.508 3.617 20 30 GHEDLO CCC1CCC2(CC1)NC(=O)N(C[N@@H+](Cc1ccc(C#N)cc1)C(C)C)C2=O ZINC000746032854 869959475 /nfs/dbraw/zinc/95/94/75/869959475.db2.gz LZJGOTWMZGMQDA-UHFFFAOYSA-N 1 2 382.508 3.617 20 30 GHEDLO COc1ccc2cc(-c3nn(-c4ccccc4)cc3C=NNC(N)=[NH2+])ccc2c1 ZINC000920826225 882374539 /nfs/dbraw/zinc/37/45/39/882374539.db2.gz BDLVYVVIXIFHRU-UHFFFAOYSA-N 1 2 384.443 3.518 20 30 GHEDLO CCCOc1ccc2c(c1)CC[N@H+]([C@H]1CCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000441084777 870323641 /nfs/dbraw/zinc/32/36/41/870323641.db2.gz AHHCJEHFHBGXAK-QFIPXVFZSA-N 1 2 375.472 3.511 20 30 GHEDLO CCCOc1ccc2c(c1)CC[N@@H+]([C@H]1CCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000441084777 870323655 /nfs/dbraw/zinc/32/36/55/870323655.db2.gz AHHCJEHFHBGXAK-QFIPXVFZSA-N 1 2 375.472 3.511 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](Cc3conc3Cc3ccccc3)CC2)c(F)c1 ZINC000552029863 871037946 /nfs/dbraw/zinc/03/79/46/871037946.db2.gz BJALYGABGYUZPQ-UHFFFAOYSA-N 1 2 376.435 3.598 20 30 GHEDLO C=C(C)C[N@H+](CC(=O)N1c2ccccc2NC(=O)C1(C)C)Cc1ccccc1 ZINC001194051894 871466355 /nfs/dbraw/zinc/46/63/55/871466355.db2.gz LBZPTVHIUPISBW-UHFFFAOYSA-N 1 2 377.488 3.829 20 30 GHEDLO C=C(C)C[N@@H+](CC(=O)N1c2ccccc2NC(=O)C1(C)C)Cc1ccccc1 ZINC001194051894 871466363 /nfs/dbraw/zinc/46/63/63/871466363.db2.gz LBZPTVHIUPISBW-UHFFFAOYSA-N 1 2 377.488 3.829 20 30 GHEDLO C[C@](C#N)(NC(=O)C[NH+]1CCC(c2cccc(Cl)c2Cl)CC1)C1CC1 ZINC000463368861 871553219 /nfs/dbraw/zinc/55/32/19/871553219.db2.gz PVRRLDLGLOFHGW-LJQANCHMSA-N 1 2 380.319 3.981 20 30 GHEDLO C[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)c1cccc(C#N)c1 ZINC000462073143 871571386 /nfs/dbraw/zinc/57/13/86/871571386.db2.gz WDCTWIVQPFQQJK-QAPCUYQASA-N 1 2 383.442 3.721 20 30 GHEDLO C[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)c1cccc(C#N)c1 ZINC000462073143 871571393 /nfs/dbraw/zinc/57/13/93/871571393.db2.gz WDCTWIVQPFQQJK-QAPCUYQASA-N 1 2 383.442 3.721 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000463451050 871779594 /nfs/dbraw/zinc/77/95/94/871779594.db2.gz FBDOTNJOCHVSHY-QFIPXVFZSA-N 1 2 382.529 3.539 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000463451050 871779609 /nfs/dbraw/zinc/77/96/09/871779609.db2.gz FBDOTNJOCHVSHY-QFIPXVFZSA-N 1 2 382.529 3.539 20 30 GHEDLO N#Cc1ccc(CN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)Cc2cccc(F)c2)cc1 ZINC000539368380 871803482 /nfs/dbraw/zinc/80/34/82/871803482.db2.gz PZZIUNOUBXRWRZ-ZRZAMGCNSA-N 1 2 379.479 3.563 20 30 GHEDLO N#Cc1ccc(CN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)Cc2cccc(F)c2)cc1 ZINC000539368380 871803500 /nfs/dbraw/zinc/80/35/00/871803500.db2.gz PZZIUNOUBXRWRZ-ZRZAMGCNSA-N 1 2 379.479 3.563 20 30 GHEDLO C[NH+]1CCN(c2ccc(C(=O)Nc3ccc4c(C#N)c[nH]c4c3)cc2Cl)CC1 ZINC001194693050 871893589 /nfs/dbraw/zinc/89/35/89/871893589.db2.gz SAAZXUCBOJDGAR-UHFFFAOYSA-N 1 2 393.878 3.697 20 30 GHEDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@H]3CCc4cc(C#N)ccc43)c2C1 ZINC000618785081 871985021 /nfs/dbraw/zinc/98/50/21/871985021.db2.gz GWXSYLLQJBNIFC-QFIPXVFZSA-N 1 2 396.494 3.902 20 30 GHEDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@H]3CCc4cc(C#N)ccc43)c2C1 ZINC000618785081 871985030 /nfs/dbraw/zinc/98/50/30/871985030.db2.gz GWXSYLLQJBNIFC-QFIPXVFZSA-N 1 2 396.494 3.902 20 30 GHEDLO C=CCOc1cc(OC)ccc1C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000463670424 872299691 /nfs/dbraw/zinc/29/96/91/872299691.db2.gz QZSQASBIBVMDJT-UHFFFAOYSA-N 1 2 383.492 3.789 20 30 GHEDLO CCn1cc(C2CC[NH+]([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)CC2)cn1 ZINC000195501605 882650658 /nfs/dbraw/zinc/65/06/58/882650658.db2.gz JUNSZJVFBRQHSR-AWEZNQCLSA-N 1 2 397.548 3.531 20 30 GHEDLO C=C[C@@H](Sc1nnc([C@H](C)[NH+]2CCCCC2)n1-c1ccccc1)C(=O)OC ZINC000619687545 872900834 /nfs/dbraw/zinc/90/08/34/872900834.db2.gz YSIMSQZGWRWQHX-DOTOQJQBSA-N 1 2 386.521 3.634 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000619722890 872920635 /nfs/dbraw/zinc/92/06/35/872920635.db2.gz SZTPKHBUAJCZOL-UHFFFAOYSA-N 1 2 394.906 3.677 20 30 GHEDLO C=CC[N@@H+](Cc1ccc(N(CC)Cc2ccccc2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000768981469 873719377 /nfs/dbraw/zinc/71/93/77/873719377.db2.gz HBUKLWFGBSEZRO-QHCPKHFHSA-N 1 2 398.572 3.888 20 30 GHEDLO C=CC[N@H+](Cc1ccc(N(CC)Cc2ccccc2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000768981469 873719383 /nfs/dbraw/zinc/71/93/83/873719383.db2.gz HBUKLWFGBSEZRO-QHCPKHFHSA-N 1 2 398.572 3.888 20 30 GHEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)c1C#N ZINC000858028446 882753065 /nfs/dbraw/zinc/75/30/65/882753065.db2.gz HOCBEOBPZFKUNJ-IBGZPJMESA-N 1 2 391.471 3.661 20 30 GHEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)c1C#N ZINC000858028446 882753072 /nfs/dbraw/zinc/75/30/72/882753072.db2.gz HOCBEOBPZFKUNJ-IBGZPJMESA-N 1 2 391.471 3.661 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](Oc2ccc(C)cn2)C1 ZINC000858031259 882755599 /nfs/dbraw/zinc/75/55/99/882755599.db2.gz DZCVGHSRBNABAY-KRWDZBQOSA-N 1 2 383.517 3.760 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](Oc2ccc(C)cn2)C1 ZINC000858031259 882755607 /nfs/dbraw/zinc/75/56/07/882755607.db2.gz DZCVGHSRBNABAY-KRWDZBQOSA-N 1 2 383.517 3.760 20 30 GHEDLO N#Cc1ccccc1COc1cccc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000609131462 873767414 /nfs/dbraw/zinc/76/74/14/873767414.db2.gz QGHJDQUFBLNLOY-NRFANRHFSA-N 1 2 386.455 3.811 20 30 GHEDLO C#C[C@@H]([NH2+]Cc1csc(-c2ccc(Br)cc2)n1)[C@H]1CCCO1 ZINC000775796377 874109512 /nfs/dbraw/zinc/10/95/12/874109512.db2.gz XNUFFUXRTOVLII-HZPDHXFCSA-N 1 2 377.307 3.843 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000177475560 882803889 /nfs/dbraw/zinc/80/38/89/882803889.db2.gz CZNBJLAAFUUBKN-GOSISDBHSA-N 1 2 390.549 3.563 20 30 GHEDLO Clc1cccc(N2CCOCC2)c1C=[NH+]Nc1ccnc(Br)c1 ZINC000769810828 874301501 /nfs/dbraw/zinc/30/15/01/874301501.db2.gz OYRXIESZONXWSX-UHFFFAOYSA-N 1 2 395.688 3.780 20 30 GHEDLO COc1ccc(OCC[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c([N+](=O)[O-])c1 ZINC000464810565 874533642 /nfs/dbraw/zinc/53/36/42/874533642.db2.gz FSBYWWZKYAJOMB-RBUKOAKNSA-N 1 2 381.432 3.754 20 30 GHEDLO COc1ccc(OCC[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c([N+](=O)[O-])c1 ZINC000464810565 874533649 /nfs/dbraw/zinc/53/36/49/874533649.db2.gz FSBYWWZKYAJOMB-RBUKOAKNSA-N 1 2 381.432 3.754 20 30 GHEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3ccc(S(=O)(=O)C(F)F)cc3)n2c1 ZINC000771858202 875520928 /nfs/dbraw/zinc/52/09/28/875520928.db2.gz HKTBSIMDTJSKKK-YVMONPNESA-N 1 2 376.384 3.535 20 30 GHEDLO COc1cc(C)c(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)c1C ZINC000494715503 883006995 /nfs/dbraw/zinc/00/69/95/883006995.db2.gz QFVWZOYTKOTXPE-UHFFFAOYSA-N 1 2 392.503 3.842 20 30 GHEDLO N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)cc1 ZINC000609354466 883046250 /nfs/dbraw/zinc/04/62/50/883046250.db2.gz NILITGIOBDPTJV-UHFFFAOYSA-N 1 2 389.386 3.788 20 30 GHEDLO Cc1ccccc1O[C@@H](C)C(=O)N1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000609915649 877181017 /nfs/dbraw/zinc/18/10/17/877181017.db2.gz IPZVUFJWAOESGL-OALUTQOASA-N 1 2 377.488 3.539 20 30 GHEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cc2ccccc2n1CC#N ZINC000609977129 877239235 /nfs/dbraw/zinc/23/92/35/877239235.db2.gz JNSAMQYRPVSUFT-UHFFFAOYSA-N 1 2 388.471 3.558 20 30 GHEDLO Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@@H+]2CCC[C@H](CC#N)C2)c1 ZINC000852319411 878235828 /nfs/dbraw/zinc/23/58/28/878235828.db2.gz LYGXBWZQKHEDDM-GOSISDBHSA-N 1 2 390.487 3.812 20 30 GHEDLO Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000852319411 878235844 /nfs/dbraw/zinc/23/58/44/878235844.db2.gz LYGXBWZQKHEDDM-GOSISDBHSA-N 1 2 390.487 3.812 20 30 GHEDLO C[C@H](OC[C@@H](O)C[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1)c1ccc(Cl)cc1 ZINC000852327690 878243806 /nfs/dbraw/zinc/24/38/06/878243806.db2.gz UTIZTNTWINCQDO-RBDMOPTHSA-N 1 2 399.922 3.731 20 30 GHEDLO C[C@H](OC[C@@H](O)C[N@H+]1CCC[C@](C#N)(c2ccccn2)C1)c1ccc(Cl)cc1 ZINC000852327690 878243822 /nfs/dbraw/zinc/24/38/22/878243822.db2.gz UTIZTNTWINCQDO-RBDMOPTHSA-N 1 2 399.922 3.731 20 30 GHEDLO CCC(CC)[C@@H](C(=O)Nc1cccc(C#Cc2ccccn2)c1)[NH+]1CCOCC1 ZINC000460675606 878362703 /nfs/dbraw/zinc/36/27/03/878362703.db2.gz HRJMXHNTFZDLLN-QHCPKHFHSA-N 1 2 391.515 3.557 20 30 GHEDLO COc1ccc2c(c1)CC[N@@H+](CC(=O)[C@H](C#N)c1nc3ccccc3s1)C2 ZINC000852551228 878420793 /nfs/dbraw/zinc/42/07/93/878420793.db2.gz QWWLERIGONZRON-KRWDZBQOSA-N 1 2 377.469 3.539 20 30 GHEDLO COc1ccc2c(c1)CC[N@H+](CC(=O)[C@H](C#N)c1nc3ccccc3s1)C2 ZINC000852551228 878420800 /nfs/dbraw/zinc/42/08/00/878420800.db2.gz QWWLERIGONZRON-KRWDZBQOSA-N 1 2 377.469 3.539 20 30 GHEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000616132569 878563407 /nfs/dbraw/zinc/56/34/07/878563407.db2.gz OZMIABUEXPKTKO-RTBURBONSA-N 1 2 394.494 3.672 20 30 GHEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000616132569 878563422 /nfs/dbraw/zinc/56/34/22/878563422.db2.gz OZMIABUEXPKTKO-RTBURBONSA-N 1 2 394.494 3.672 20 30 GHEDLO C#CCC[N@@H+](CCOC)CC(=O)Nc1cc2oc3ccccc3c2cc1OC ZINC000852751965 878579153 /nfs/dbraw/zinc/57/91/53/878579153.db2.gz KSQZEBIFDOMFHH-UHFFFAOYSA-N 1 2 380.444 3.505 20 30 GHEDLO C#CCC[N@H+](CCOC)CC(=O)Nc1cc2oc3ccccc3c2cc1OC ZINC000852751965 878579166 /nfs/dbraw/zinc/57/91/66/878579166.db2.gz KSQZEBIFDOMFHH-UHFFFAOYSA-N 1 2 380.444 3.505 20 30 GHEDLO C=CCCOCCNC(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538041744 878746077 /nfs/dbraw/zinc/74/60/77/878746077.db2.gz NONZPVOVOFAIGF-QZTJIDSGSA-N 1 2 383.895 3.506 20 30 GHEDLO C=CCCOCCNC(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538041744 878746091 /nfs/dbraw/zinc/74/60/91/878746091.db2.gz NONZPVOVOFAIGF-QZTJIDSGSA-N 1 2 383.895 3.506 20 30 GHEDLO C#CCn1ccc(C[N@@H+](CCOC)[C@@H](C)c2ccc(OC(F)(F)F)cc2)n1 ZINC000789323244 878854968 /nfs/dbraw/zinc/85/49/68/878854968.db2.gz XTRYQZJMEVPEQM-HNNXBMFYSA-N 1 2 381.398 3.625 20 30 GHEDLO C#CCn1ccc(C[N@H+](CCOC)[C@@H](C)c2ccc(OC(F)(F)F)cc2)n1 ZINC000789323244 878854982 /nfs/dbraw/zinc/85/49/82/878854982.db2.gz XTRYQZJMEVPEQM-HNNXBMFYSA-N 1 2 381.398 3.625 20 30 GHEDLO C[C@]1(c2ccc(Cl)c(Cl)c2)CC(=O)N(C[N@@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853524261 879085461 /nfs/dbraw/zinc/08/54/61/879085461.db2.gz LOVYOEJUFQVFQE-BFUOFWGJSA-N 1 2 394.302 3.593 20 30 GHEDLO C[C@]1(c2ccc(Cl)c(Cl)c2)CC(=O)N(C[N@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853524261 879085475 /nfs/dbraw/zinc/08/54/75/879085475.db2.gz LOVYOEJUFQVFQE-BFUOFWGJSA-N 1 2 394.302 3.593 20 30 GHEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@@H](C3CCCCC3)C2)nc1-c1cnccn1 ZINC000853555486 879112245 /nfs/dbraw/zinc/11/22/45/879112245.db2.gz XCKKQHFGRZZVLE-QGZVFWFLSA-N 1 2 384.553 3.917 20 30 GHEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@@H](C3CCCCC3)C2)nc1-c1cnccn1 ZINC000853555486 879112260 /nfs/dbraw/zinc/11/22/60/879112260.db2.gz XCKKQHFGRZZVLE-QGZVFWFLSA-N 1 2 384.553 3.917 20 30 GHEDLO C=CC[NH+]1CCN(C(=O)[C@@H](c2ccc(Br)cc2)C2CCC2)CC1 ZINC001183316047 912420187 /nfs/dbraw/zinc/42/01/87/912420187.db2.gz JSTSBPKKPXXCFG-GOSISDBHSA-N 1 2 377.326 3.663 20 30 GHEDLO CC[NH+](CC)Cc1csc(NC(=O)c2cc(-c3cccc(C#N)c3)no2)n1 ZINC000789904511 879349645 /nfs/dbraw/zinc/34/96/45/879349645.db2.gz QPMJKUJGIARLJB-UHFFFAOYSA-N 1 2 381.461 3.764 20 30 GHEDLO N#Cc1csc(C[NH+]2CCC(c3nccc(-c4cccc(F)c4)n3)CC2)n1 ZINC000854108867 879546254 /nfs/dbraw/zinc/54/62/54/879546254.db2.gz MLOURZTXQAYQLJ-UHFFFAOYSA-N 1 2 379.464 3.990 20 30 GHEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+](CCOC)[C@@H]2CC[C@H](C)C2)c1=S ZINC000790475814 879748981 /nfs/dbraw/zinc/74/89/81/879748981.db2.gz BZSVHWQPALNITH-FUHWJXTLSA-N 1 2 387.553 3.757 20 30 GHEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+](CCOC)[C@@H]2CC[C@H](C)C2)c1=S ZINC000790475814 879748999 /nfs/dbraw/zinc/74/89/99/879748999.db2.gz BZSVHWQPALNITH-FUHWJXTLSA-N 1 2 387.553 3.757 20 30 GHEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+](CCOC)[C@H]2CC[C@@H](C)C2)c1=S ZINC000790478159 879749417 /nfs/dbraw/zinc/74/94/17/879749417.db2.gz JWRQXKXYTWDGJW-SJORKVTESA-N 1 2 387.553 3.757 20 30 GHEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+](CCOC)[C@H]2CC[C@@H](C)C2)c1=S ZINC000790478159 879749429 /nfs/dbraw/zinc/74/94/29/879749429.db2.gz JWRQXKXYTWDGJW-SJORKVTESA-N 1 2 387.553 3.757 20 30 GHEDLO C=C(C)COCC[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F ZINC000494020686 879831039 /nfs/dbraw/zinc/83/10/39/879831039.db2.gz OEBHBEQORUEOFK-FQEVSTJZSA-N 1 2 395.471 3.640 20 30 GHEDLO C=CCN1CC[C@@H]([NH2+][C@@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)C1=O ZINC000538610113 879850978 /nfs/dbraw/zinc/85/09/78/879850978.db2.gz PNEDSBOMOIEDDX-NQIIRXRSSA-N 1 2 398.890 3.577 20 30 GHEDLO Cc1cc(C)c2ncc(C#N)c(NC[C@@H](c3cccs3)[NH+]3CCOCC3)c2c1 ZINC000461463243 879881199 /nfs/dbraw/zinc/88/11/99/879881199.db2.gz LEMKXPRXIWJOSB-IBGZPJMESA-N 1 2 392.528 3.692 20 30 GHEDLO CC[N@H+](CC(=O)N1CCC[C@](C#N)(c2ccccn2)C1)Cc1ccccc1Cl ZINC000855304474 880423076 /nfs/dbraw/zinc/42/30/76/880423076.db2.gz HWQWBQPKSPGZDB-JOCHJYFZSA-N 1 2 396.922 3.641 20 30 GHEDLO CC[N@@H+](CC(=O)N1CCC[C@](C#N)(c2ccccn2)C1)Cc1ccccc1Cl ZINC000855304474 880423088 /nfs/dbraw/zinc/42/30/88/880423088.db2.gz HWQWBQPKSPGZDB-JOCHJYFZSA-N 1 2 396.922 3.641 20 30 GHEDLO COc1cc(C[N@H+](C)[C@@H]2CC(C)(C)OC2=O)ccc1OCc1cccc(C#N)c1 ZINC000795708935 912588896 /nfs/dbraw/zinc/58/88/96/912588896.db2.gz CRCZVQMQVRXKKE-LJQANCHMSA-N 1 2 394.471 3.672 20 30 GHEDLO COc1cc(C[N@@H+](C)[C@@H]2CC(C)(C)OC2=O)ccc1OCc1cccc(C#N)c1 ZINC000795708935 912588902 /nfs/dbraw/zinc/58/89/02/912588902.db2.gz CRCZVQMQVRXKKE-LJQANCHMSA-N 1 2 394.471 3.672 20 30 GHEDLO COc1cccc(C=C2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)CC2)c1 ZINC000531870437 880652540 /nfs/dbraw/zinc/65/25/40/880652540.db2.gz AOCCWSXDEWKRNT-SFHVURJKSA-N 1 2 381.520 3.906 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1c(Cl)cccc1Cl)C2 ZINC001275206916 912617435 /nfs/dbraw/zinc/61/74/35/912617435.db2.gz IOQNMJONASEYCH-LJQANCHMSA-N 1 2 383.319 3.620 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1c(Cl)cccc1Cl)C2 ZINC001275206916 912617445 /nfs/dbraw/zinc/61/74/45/912617445.db2.gz IOQNMJONASEYCH-LJQANCHMSA-N 1 2 383.319 3.620 20 30 GHEDLO C=CC[N@@H+](CCOC)Cc1cc(Br)cc(Br)c1O ZINC000792193157 880980376 /nfs/dbraw/zinc/98/03/76/880980376.db2.gz SZSKHBNMMFJJNG-UHFFFAOYSA-N 1 2 379.092 3.552 20 30 GHEDLO C=CC[N@H+](CCOC)Cc1cc(Br)cc(Br)c1O ZINC000792193157 880980382 /nfs/dbraw/zinc/98/03/82/880980382.db2.gz SZSKHBNMMFJJNG-UHFFFAOYSA-N 1 2 379.092 3.552 20 30 GHEDLO N#Cc1csc(C[NH+]2CCN(Cc3ccc(Br)c(F)c3)CC2)c1 ZINC000537622602 881131715 /nfs/dbraw/zinc/13/17/15/881131715.db2.gz DLOPHSCVABVSCE-UHFFFAOYSA-N 1 2 394.313 3.839 20 30 GHEDLO N#CCc1ccc(Oc2ccc(C(=O)N3CCN(c4cccc[nH+]4)CC3)cc2)cc1 ZINC000609496964 883261042 /nfs/dbraw/zinc/26/10/42/883261042.db2.gz FSYSOYXVCCTYAB-UHFFFAOYSA-N 1 2 398.466 3.902 20 30 GHEDLO N#C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1Br ZINC000609589970 883388396 /nfs/dbraw/zinc/38/83/96/883388396.db2.gz XOAKDWZUQGJHAE-KRWDZBQOSA-N 1 2 381.233 3.629 20 30 GHEDLO C[N@H+](Cc1ccc(Cl)c(Cl)c1)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000477102230 883715095 /nfs/dbraw/zinc/71/50/95/883715095.db2.gz SDJKUDOBFRMGSG-QGZVFWFLSA-N 1 2 388.254 3.629 20 30 GHEDLO C[N@@H+](Cc1ccc(Cl)c(Cl)c1)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000477102230 883715098 /nfs/dbraw/zinc/71/50/98/883715098.db2.gz SDJKUDOBFRMGSG-QGZVFWFLSA-N 1 2 388.254 3.629 20 30 GHEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000063403739 883987211 /nfs/dbraw/zinc/98/72/11/883987211.db2.gz PYQLBDYUFNJIJJ-UHFFFAOYSA-N 1 2 389.434 3.781 20 30 GHEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@@H](O)c3ccc(C(F)(F)F)cc3)CCO2)c1 ZINC000761756469 884045236 /nfs/dbraw/zinc/04/52/36/884045236.db2.gz IYIQJWPUTYRVCD-RTBURBONSA-N 1 2 376.378 3.684 20 30 GHEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@@H](O)c3ccc(C(F)(F)F)cc3)CCO2)c1 ZINC000761756469 884045254 /nfs/dbraw/zinc/04/52/54/884045254.db2.gz IYIQJWPUTYRVCD-RTBURBONSA-N 1 2 376.378 3.684 20 30 GHEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000805743580 884049789 /nfs/dbraw/zinc/04/97/89/884049789.db2.gz IKPRGRDGIXWIEF-OAHLLOKOSA-N 1 2 399.292 3.566 20 30 GHEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000805743580 884049805 /nfs/dbraw/zinc/04/98/05/884049805.db2.gz IKPRGRDGIXWIEF-OAHLLOKOSA-N 1 2 399.292 3.566 20 30 GHEDLO C#C[C@@H](C)Oc1ccc(COC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)cc1 ZINC000805927567 884225474 /nfs/dbraw/zinc/22/54/74/884225474.db2.gz FQLHHXRGNHAHAX-MRXNPFEDSA-N 1 2 398.528 3.807 20 30 GHEDLO C[C@@H](C[N@H+](C)Cc1ccc(C#N)cc1Br)NC(=O)OC(C)(C)C ZINC000860096427 884323399 /nfs/dbraw/zinc/32/33/99/884323399.db2.gz LKDPKSMVMULVLZ-LBPRGKRZSA-N 1 2 382.302 3.666 20 30 GHEDLO C[C@@H](C[N@@H+](C)Cc1ccc(C#N)cc1Br)NC(=O)OC(C)(C)C ZINC000860096427 884323418 /nfs/dbraw/zinc/32/34/18/884323418.db2.gz LKDPKSMVMULVLZ-LBPRGKRZSA-N 1 2 382.302 3.666 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044439035 884853100 /nfs/dbraw/zinc/85/31/00/884853100.db2.gz WVMRMKRYXWIRNR-HNNXBMFYSA-N 1 2 387.430 3.741 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044439035 884853105 /nfs/dbraw/zinc/85/31/05/884853105.db2.gz WVMRMKRYXWIRNR-HNNXBMFYSA-N 1 2 387.430 3.741 20 30 GHEDLO N#CC1(NC(=O)C[NH+]2CCC(F)(c3ccccc3C(F)(F)F)CC2)CCC1 ZINC000532479029 885788701 /nfs/dbraw/zinc/78/87/01/885788701.db2.gz JOEOVEJELHXSGG-UHFFFAOYSA-N 1 2 383.389 3.528 20 30 GHEDLO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)o1 ZINC000542557906 885819090 /nfs/dbraw/zinc/81/90/90/885819090.db2.gz XXLWPRSUXDRKFK-HNAYVOBHSA-N 1 2 387.455 3.594 20 30 GHEDLO Cc1cc(Br)cn2c(CN=Nc3nccnc3C3CCC3)c[nH+]c12 ZINC000807995044 885917278 /nfs/dbraw/zinc/91/72/78/885917278.db2.gz YTBKARGBLLNGFX-UHFFFAOYSA-N 1 2 385.269 3.909 20 30 GHEDLO N#Cc1ccc(C[N@@H+](Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)C2CC2)cc1 ZINC000194967638 885985135 /nfs/dbraw/zinc/98/51/35/885985135.db2.gz OVVZPLBFMYYGMQ-UHFFFAOYSA-N 1 2 376.485 3.510 20 30 GHEDLO N#Cc1ccc(C[N@H+](Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)C2CC2)cc1 ZINC000194967638 885985144 /nfs/dbraw/zinc/98/51/44/885985144.db2.gz OVVZPLBFMYYGMQ-UHFFFAOYSA-N 1 2 376.485 3.510 20 30 GHEDLO COc1ccc([C@H]2CCC[N@@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)cc1OC ZINC000173461313 886393118 /nfs/dbraw/zinc/39/31/18/886393118.db2.gz HLXLTQVOZQXRTF-GOSISDBHSA-N 1 2 390.443 3.963 20 30 GHEDLO COc1ccc([C@H]2CCC[N@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)cc1OC ZINC000173461313 886393134 /nfs/dbraw/zinc/39/31/34/886393134.db2.gz HLXLTQVOZQXRTF-GOSISDBHSA-N 1 2 390.443 3.963 20 30 GHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH+]2CCC(OC(C)C)CC2)c1C#N ZINC000532632603 886589108 /nfs/dbraw/zinc/58/91/08/886589108.db2.gz SCOHIGXLSSXZSD-UHFFFAOYSA-N 1 2 394.519 3.794 20 30 GHEDLO Cc1cc(C(N)=[NH+]OCC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)ccc1F ZINC000762709753 886755784 /nfs/dbraw/zinc/75/57/84/886755784.db2.gz WTZUAUQGOAYTLG-ZDUSSCGKSA-N 1 2 377.847 3.644 20 30 GHEDLO C=C(C)Cn1c(CCc2ccccc2)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000670219713 887280776 /nfs/dbraw/zinc/28/07/76/887280776.db2.gz NJALUHHFMFKKHC-UHFFFAOYSA-N 1 2 391.519 3.555 20 30 GHEDLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c(OC)c1 ZINC000026323928 887543374 /nfs/dbraw/zinc/54/33/74/887543374.db2.gz FPNVCAMOFDDQQH-ZDUSSCGKSA-N 1 2 399.516 3.585 20 30 GHEDLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c(OC)c1 ZINC000026323928 887543386 /nfs/dbraw/zinc/54/33/86/887543386.db2.gz FPNVCAMOFDDQQH-ZDUSSCGKSA-N 1 2 399.516 3.585 20 30 GHEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc3c(C#N)c[nH]c3c2)C[C@@H](C)O1 ZINC000864912471 888070143 /nfs/dbraw/zinc/07/01/43/888070143.db2.gz FTIBDOLZJZYVTM-HZPDHXFCSA-N 1 2 388.471 3.901 20 30 GHEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000152507372 888245122 /nfs/dbraw/zinc/24/51/22/888245122.db2.gz GQMWYOOCYQQKAP-HNNXBMFYSA-N 1 2 391.393 3.674 20 30 GHEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000152507240 888245301 /nfs/dbraw/zinc/24/53/01/888245301.db2.gz GQMWYOOCYQQKAP-OAHLLOKOSA-N 1 2 391.393 3.674 20 30 GHEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@H](C3CC3)C2)nc1[C@H]1COc2ccccc2O1 ZINC000763330853 888505821 /nfs/dbraw/zinc/50/58/21/888505821.db2.gz FDQNFDRJINSDLZ-QFBILLFUSA-N 1 2 398.532 3.802 20 30 GHEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@H](C3CC3)C2)nc1[C@H]1COc2ccccc2O1 ZINC000763330853 888505835 /nfs/dbraw/zinc/50/58/35/888505835.db2.gz FDQNFDRJINSDLZ-QFBILLFUSA-N 1 2 398.532 3.802 20 30 GHEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 ZINC000153854807 888731852 /nfs/dbraw/zinc/73/18/52/888731852.db2.gz HSJAVUVSUVRVGQ-QHCPKHFHSA-N 1 2 399.494 3.664 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCc3ccc(O)cc3C2)c1 ZINC000532732221 888832937 /nfs/dbraw/zinc/83/29/37/888832937.db2.gz VNVQOXJSIKKUED-GOSISDBHSA-N 1 2 377.488 3.703 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCc3ccc(O)cc3C2)c1 ZINC000532732221 888832952 /nfs/dbraw/zinc/83/29/52/888832952.db2.gz VNVQOXJSIKKUED-GOSISDBHSA-N 1 2 377.488 3.703 20 30 GHEDLO COC(=O)c1ccc(N[NH+]=Cc2c(C)nn(-c3ccccc3)c2N)cc1Cl ZINC000794928244 888915679 /nfs/dbraw/zinc/91/56/79/888915679.db2.gz CZAGLNTYCIHPPS-UHFFFAOYSA-N 1 2 383.839 3.649 20 30 GHEDLO CCO[C@@H](C)c1nc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cs1 ZINC000533038521 889589627 /nfs/dbraw/zinc/58/96/27/889589627.db2.gz VPUNUGLYHVJESU-HNNXBMFYSA-N 1 2 398.532 3.963 20 30 GHEDLO CCc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CCS(=O)(=O)c2cccc(C#N)c2)o1 ZINC000533148861 889889978 /nfs/dbraw/zinc/88/99/78/889889978.db2.gz MTKSLSFHCJINDU-UZLBHIALSA-N 1 2 386.517 3.961 20 30 GHEDLO CCc1ccc([C@@H]2C[C@H](C)CC[N@H+]2CCS(=O)(=O)c2cccc(C#N)c2)o1 ZINC000533148861 889889989 /nfs/dbraw/zinc/88/99/89/889889989.db2.gz MTKSLSFHCJINDU-UZLBHIALSA-N 1 2 386.517 3.961 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCCC[C@H]2c2ccnn2C)c1 ZINC000533219153 890024141 /nfs/dbraw/zinc/02/41/41/890024141.db2.gz ZZJXGSORPPIAOV-NRFANRHFSA-N 1 2 379.508 3.511 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@H]2c2ccnn2C)c1 ZINC000533219153 890024152 /nfs/dbraw/zinc/02/41/52/890024152.db2.gz ZZJXGSORPPIAOV-NRFANRHFSA-N 1 2 379.508 3.511 20 30 GHEDLO COc1ccc(CC(N)=[NH+]O[C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)cc1 ZINC000122978779 890243485 /nfs/dbraw/zinc/24/34/85/890243485.db2.gz BFSUEBLWLJSFHE-HNNXBMFYSA-N 1 2 380.448 3.955 20 30 GHEDLO N#Cc1ccccc1/C=C/C(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC001133454292 890991648 /nfs/dbraw/zinc/99/16/48/890991648.db2.gz ZZCPMMBXYHSIGW-BUHFOSPRSA-N 1 2 382.467 3.789 20 30 GHEDLO Cc1ccc(CO[NH+]=C(N)c2ccc(CNC(=O)OC(C)(C)C)cc2)c(C)n1 ZINC000774792715 913513021 /nfs/dbraw/zinc/51/30/21/913513021.db2.gz PNCVNUHDJMHRGP-UHFFFAOYSA-N 1 2 384.480 3.560 20 30 GHEDLO C#CCOc1ccccc1C[NH2+]Cc1c(F)ccc(C2OCCO2)c1Cl ZINC000812833447 891016225 /nfs/dbraw/zinc/01/62/25/891016225.db2.gz MPRLPNOKCJEGOF-UHFFFAOYSA-N 1 2 375.827 3.826 20 30 GHEDLO C#C[C@@H](NC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1 ZINC000812938738 891148852 /nfs/dbraw/zinc/14/88/52/891148852.db2.gz QEPHOKHWGWZMKT-OAQYLSRUSA-N 1 2 394.494 3.843 20 30 GHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1=S ZINC000747833488 891214787 /nfs/dbraw/zinc/21/47/87/891214787.db2.gz XCDMEMBQKAQEIK-OALUTQOASA-N 1 2 399.564 3.758 20 30 GHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1=S ZINC000747833488 891214797 /nfs/dbraw/zinc/21/47/97/891214797.db2.gz XCDMEMBQKAQEIK-OALUTQOASA-N 1 2 399.564 3.758 20 30 GHEDLO COc1ccc(CC(N)=[NH+]OCc2ncc(-c3ccccc3F)o2)cc1OC ZINC000154523396 892568422 /nfs/dbraw/zinc/56/84/22/892568422.db2.gz GQEGISBYYKVNAP-UHFFFAOYSA-N 1 2 385.395 3.529 20 30 GHEDLO C#CC[C@H]([NH2+]Cc1nc2sc(C(=O)OCC)c(C)c2c(N)n1)c1ccccc1 ZINC000271725196 892868779 /nfs/dbraw/zinc/86/87/79/892868779.db2.gz RAGNWYVTDPJVDR-HNNXBMFYSA-N 1 2 394.500 3.613 20 30 GHEDLO CC(=O)N(c1nc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)cs1)C1CC1 ZINC000933613477 893100226 /nfs/dbraw/zinc/10/02/26/893100226.db2.gz YUFHCELBENFLSI-UHFFFAOYSA-N 1 2 380.517 3.910 20 30 GHEDLO O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933653544 893118527 /nfs/dbraw/zinc/11/85/27/893118527.db2.gz VETHJTUYAFACRS-NRFANRHFSA-N 1 2 394.446 3.843 20 30 GHEDLO CN(Cc1cn2c([nH+]1)CCCC2)c1c(C#N)cnc2ccc(OC(F)F)cc21 ZINC000428693072 893277205 /nfs/dbraw/zinc/27/72/05/893277205.db2.gz PSZSMLDVDQQMFG-UHFFFAOYSA-N 1 2 383.402 3.877 20 30 GHEDLO CC[C@@H]1C[N@H+](Cc2cc(C#N)cnc2Cl)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000876762334 893319642 /nfs/dbraw/zinc/31/96/42/893319642.db2.gz ABVPABMRSFUQKJ-ZBFHGGJFSA-N 1 2 378.904 3.732 20 30 GHEDLO CC[C@@H]1C[N@@H+](Cc2cc(C#N)cnc2Cl)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000876762334 893319661 /nfs/dbraw/zinc/31/96/61/893319661.db2.gz ABVPABMRSFUQKJ-ZBFHGGJFSA-N 1 2 378.904 3.732 20 30 GHEDLO C[N@@H+](Cc1nc(Cl)ccc1Br)C[C@@H](O)c1cccc(C#N)c1 ZINC000877608956 893714523 /nfs/dbraw/zinc/71/45/23/893714523.db2.gz AQHXMBQLXXROOS-OAHLLOKOSA-N 1 2 380.673 3.535 20 30 GHEDLO C[N@H+](Cc1nc(Cl)ccc1Br)C[C@@H](O)c1cccc(C#N)c1 ZINC000877608956 893714531 /nfs/dbraw/zinc/71/45/31/893714531.db2.gz AQHXMBQLXXROOS-OAHLLOKOSA-N 1 2 380.673 3.535 20 30 GHEDLO N#CCOc1ccc(CN2CC[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)cc1 ZINC001137124190 893718219 /nfs/dbraw/zinc/71/82/19/893718219.db2.gz UKAITXCSLIBDNH-FQEVSTJZSA-N 1 2 389.421 3.838 20 30 GHEDLO N#CCOc1ccc(CN2CC[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)cc1 ZINC001137124190 893718236 /nfs/dbraw/zinc/71/82/36/893718236.db2.gz UKAITXCSLIBDNH-FQEVSTJZSA-N 1 2 389.421 3.838 20 30 GHEDLO C[C@@H]1CCc2nc(NC(=O)[C@@H](c3ccc(Cl)cc3)[NH+](C)C)c(C#N)cc2C1 ZINC001135108662 894019337 /nfs/dbraw/zinc/01/93/37/894019337.db2.gz OZTOQNLMPFWBGH-BFUOFWGJSA-N 1 2 382.895 3.973 20 30 GHEDLO C=C(C)COCCNC(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536930550 894106663 /nfs/dbraw/zinc/10/66/63/894106663.db2.gz YDEJRFCHWOEMAW-ROUUACIJSA-N 1 2 383.895 3.506 20 30 GHEDLO C=C(C)COCCNC(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536930550 894106669 /nfs/dbraw/zinc/10/66/69/894106669.db2.gz YDEJRFCHWOEMAW-ROUUACIJSA-N 1 2 383.895 3.506 20 30 GHEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000537121567 894342711 /nfs/dbraw/zinc/34/27/11/894342711.db2.gz AQGAXMCJLXSTSN-QFBILLFUSA-N 1 2 389.858 3.614 20 30 GHEDLO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000537121567 894342729 /nfs/dbraw/zinc/34/27/29/894342729.db2.gz AQGAXMCJLXSTSN-QFBILLFUSA-N 1 2 389.858 3.614 20 30 GHEDLO COCc1ccccc1/C=C(\C)C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000816569323 894950296 /nfs/dbraw/zinc/95/02/96/894950296.db2.gz HVLPFHMDFWZMFS-RKCOZNTMSA-N 1 2 385.508 3.585 20 30 GHEDLO Cc1csc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)C2)n1 ZINC000880007194 895443911 /nfs/dbraw/zinc/44/39/11/895443911.db2.gz DIZZJPYNUSRHQW-QWHCGFSZSA-N 1 2 386.546 3.690 20 30 GHEDLO Cc1csc([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)C2)n1 ZINC000880007194 895443923 /nfs/dbraw/zinc/44/39/23/895443923.db2.gz DIZZJPYNUSRHQW-QWHCGFSZSA-N 1 2 386.546 3.690 20 30 GHEDLO Cc1csc([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)C2)n1 ZINC000880007195 895444264 /nfs/dbraw/zinc/44/42/64/895444264.db2.gz DIZZJPYNUSRHQW-STQMWFEESA-N 1 2 386.546 3.690 20 30 GHEDLO Cc1csc([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)C2)n1 ZINC000880007195 895444267 /nfs/dbraw/zinc/44/42/67/895444267.db2.gz DIZZJPYNUSRHQW-STQMWFEESA-N 1 2 386.546 3.690 20 30 GHEDLO N#Cc1ccncc1N1CC[NH+](Cc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000565297272 895514827 /nfs/dbraw/zinc/51/48/27/895514827.db2.gz YPUROGTZHXVBKQ-UHFFFAOYSA-N 1 2 380.398 3.814 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000880320061 895636788 /nfs/dbraw/zinc/63/67/88/895636788.db2.gz NMXZNUMKLKCJOV-GJZGRUSLSA-N 1 2 386.546 3.965 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@H](c2nccs2)C1 ZINC000880320061 895636792 /nfs/dbraw/zinc/63/67/92/895636792.db2.gz NMXZNUMKLKCJOV-GJZGRUSLSA-N 1 2 386.546 3.965 20 30 GHEDLO C=C(C)C[C@@H](C)c1nc(-c2ccc(N3CCN(c4cccc[nH+]4)CC3)nc2)no1 ZINC000568132654 897621537 /nfs/dbraw/zinc/62/15/37/897621537.db2.gz NFROCNIBMNZAKT-QGZVFWFLSA-N 1 2 390.491 3.923 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000568917440 898210088 /nfs/dbraw/zinc/21/00/88/898210088.db2.gz QTMSZUSYFQSSQU-MRXNPFEDSA-N 1 2 382.895 3.751 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000568917440 898210100 /nfs/dbraw/zinc/21/01/00/898210100.db2.gz QTMSZUSYFQSSQU-MRXNPFEDSA-N 1 2 382.895 3.751 20 30 GHEDLO N#CCCn1cc(C(=O)C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c2ccccc21 ZINC000289631330 914271356 /nfs/dbraw/zinc/27/13/56/914271356.db2.gz RYHXWHSUKQFMIN-YADHBBJMSA-N 1 2 377.488 3.771 20 30 GHEDLO N#CCCn1cc(C(=O)C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c2ccccc21 ZINC000289631330 914271372 /nfs/dbraw/zinc/27/13/72/914271372.db2.gz RYHXWHSUKQFMIN-YADHBBJMSA-N 1 2 377.488 3.771 20 30 GHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)Cc3cccc(C#N)c3)n2)C1 ZINC000043546724 898706996 /nfs/dbraw/zinc/70/69/96/898706996.db2.gz USKBPMXYNRANBM-HNNXBMFYSA-N 1 2 383.521 3.911 20 30 GHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)Cc3cccc(C#N)c3)n2)C1 ZINC000043546724 898707005 /nfs/dbraw/zinc/70/70/05/898707005.db2.gz USKBPMXYNRANBM-HNNXBMFYSA-N 1 2 383.521 3.911 20 30 GHEDLO COc1ccccc1[C@H]1[C@@H](NC(=O)C(F)(F)F)CCC[N@@H+]1CCC(C)(C)C#N ZINC000805829861 899152842 /nfs/dbraw/zinc/15/28/42/899152842.db2.gz PRRBLXZVMKCDTF-RDJZCZTQSA-N 1 2 397.441 3.819 20 30 GHEDLO COc1ccccc1[C@H]1[C@@H](NC(=O)C(F)(F)F)CCC[N@H+]1CCC(C)(C)C#N ZINC000805829861 899152851 /nfs/dbraw/zinc/15/28/51/899152851.db2.gz PRRBLXZVMKCDTF-RDJZCZTQSA-N 1 2 397.441 3.819 20 30 GHEDLO N#Cc1c(NCc2ccccc2OCC[NH+]2CCOCC2)cccc1C(F)F ZINC000570582007 899408408 /nfs/dbraw/zinc/40/84/08/899408408.db2.gz VIRUCZFITZCATR-UHFFFAOYSA-N 1 2 387.430 3.819 20 30 GHEDLO CC[C@@H](CC#N)[NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000570643201 899463089 /nfs/dbraw/zinc/46/30/89/899463089.db2.gz PAYHXERHBQPXDV-HNNXBMFYSA-N 1 2 382.430 3.916 20 30 GHEDLO C=CCOc1c(Br)cc(C[NH2+]Cc2coc(CC)n2)cc1OC ZINC000825051176 899951665 /nfs/dbraw/zinc/95/16/65/899951665.db2.gz XANHCQMXYXQOLY-UHFFFAOYSA-N 1 2 381.270 3.863 20 30 GHEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccc(C(F)(F)F)cc3Cl)CC2)c1 ZINC001143711660 900422691 /nfs/dbraw/zinc/42/26/91/900422691.db2.gz AKGXOOGNGUVJML-UHFFFAOYSA-N 1 2 380.801 3.948 20 30 GHEDLO N#Cc1cccc(Cl)c1CN1Cc2c[nH+]cn2C[C@@H](COc2ccccn2)C1 ZINC001143724401 900444181 /nfs/dbraw/zinc/44/41/81/900444181.db2.gz WUEKPSNGJFXOMW-INIZCTEOSA-N 1 2 393.878 3.514 20 30 GHEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000066176844 900991473 /nfs/dbraw/zinc/99/14/73/900991473.db2.gz CZUCVNOXYGLXOR-UHFFFAOYSA-N 1 2 377.492 3.674 20 30 GHEDLO Cc1[nH]c(C2CCN(CC(=O)N(CCC#N)c3ccc(C)c(C)c3)CC2)[nH+]c1C ZINC000886667826 901216035 /nfs/dbraw/zinc/21/60/35/901216035.db2.gz IQZPHPWCQXXGAH-UHFFFAOYSA-N 1 2 393.535 3.770 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)[C@]2(C#N)CC23CCCC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000575830189 901352486 /nfs/dbraw/zinc/35/24/86/901352486.db2.gz FRSWJSALMBABQN-ABSDTBQOSA-N 1 2 375.875 3.815 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)[C@]2(C#N)CC23CCCC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000575830189 901352508 /nfs/dbraw/zinc/35/25/08/901352508.db2.gz FRSWJSALMBABQN-ABSDTBQOSA-N 1 2 375.875 3.815 20 30 GHEDLO C[C@@H]1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)C[C@H]1n1cc[nH+]c1 ZINC000123083312 901896087 /nfs/dbraw/zinc/89/60/87/901896087.db2.gz ASAKOOGQYRWDNZ-VQIMIIECSA-N 1 2 390.443 3.650 20 30 GHEDLO CC[C@@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@@H](C)[S@@]1=O ZINC000576504218 902064142 /nfs/dbraw/zinc/06/41/42/902064142.db2.gz SCTNRJHVIZFVQB-NZBDPPQNSA-N 1 2 382.529 3.869 20 30 GHEDLO CC[C@@H]1C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@@H](C)[S@@]1=O ZINC000576504218 902064160 /nfs/dbraw/zinc/06/41/60/902064160.db2.gz SCTNRJHVIZFVQB-NZBDPPQNSA-N 1 2 382.529 3.869 20 30 GHEDLO C[C@H](CC(=O)OC[C@@H](C#N)Cc1cccc(Br)c1)n1cc[nH+]c1 ZINC000845536554 902235870 /nfs/dbraw/zinc/23/58/70/902235870.db2.gz XDDDHFCRKIQYPN-UKRRQHHQSA-N 1 2 376.254 3.522 20 30 GHEDLO C=C(C)CONC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000845589681 902273692 /nfs/dbraw/zinc/27/36/92/902273692.db2.gz GKIFRKIYXUIDEN-UHFFFAOYSA-N 1 2 380.851 3.785 20 30 GHEDLO Cc1ccc(O[C@@H]2C[C@H]3C[N@H+]([C@H](C)Cc4cccc(C#N)c4)CCN3C2)cc1 ZINC001171221539 902853612 /nfs/dbraw/zinc/85/36/12/902853612.db2.gz OSIAYQAEKYNCGA-WNOPAQSVSA-N 1 2 375.516 3.635 20 30 GHEDLO Cc1ccc(O[C@@H]2C[C@H]3C[N@@H+]([C@H](C)Cc4cccc(C#N)c4)CCN3C2)cc1 ZINC001171221539 902853622 /nfs/dbraw/zinc/85/36/22/902853622.db2.gz OSIAYQAEKYNCGA-WNOPAQSVSA-N 1 2 375.516 3.635 20 30 GHEDLO N#CC1CCN(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000264296273 903004131 /nfs/dbraw/zinc/00/41/31/903004131.db2.gz VXMQLNUXOVZKAX-KRWDZBQOSA-N 1 2 378.879 3.561 20 30 GHEDLO N#Cc1cccc(CCNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)c1 ZINC000577808613 903224276 /nfs/dbraw/zinc/22/42/76/903224276.db2.gz YIUKSNCDJXYXGM-FGZHOGPDSA-N 1 2 385.471 3.525 20 30 GHEDLO CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000846822134 903243338 /nfs/dbraw/zinc/24/33/38/903243338.db2.gz XEYXVANOYOJEEI-GOSISDBHSA-N 1 2 397.479 3.788 20 30 GHEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000846890435 903290347 /nfs/dbraw/zinc/29/03/47/903290347.db2.gz SMUWTKQQYCVVDW-SFHVURJKSA-N 1 2 390.531 3.588 20 30 GHEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC001148218137 904008570 /nfs/dbraw/zinc/00/85/70/904008570.db2.gz UJIRRTFCLURLQP-HZPDHXFCSA-N 1 2 376.391 3.965 20 30 GHEDLO N#C[C@@H](C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc2ccccc2n1 ZINC000048851934 904214759 /nfs/dbraw/zinc/21/47/59/904214759.db2.gz IAAIREREZFCWQP-MRXNPFEDSA-N 1 2 383.367 3.819 20 30 GHEDLO C=CCNC(=O)C[NH2+][C@@H](c1ccc2c(c1)CCO2)c1cc(Cl)ccc1Cl ZINC000779169851 905078665 /nfs/dbraw/zinc/07/86/65/905078665.db2.gz RAHVUBSSZRFUPN-FQEVSTJZSA-N 1 2 391.298 3.910 20 30 GHEDLO COc1ccc(C[N@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)cc1O ZINC000174627049 905311163 /nfs/dbraw/zinc/31/11/63/905311163.db2.gz ODJQWOVWIUVXLC-UHFFFAOYSA-N 1 2 377.444 3.584 20 30 GHEDLO COc1ccc(C[N@@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)cc1O ZINC000174627049 905311183 /nfs/dbraw/zinc/31/11/83/905311183.db2.gz ODJQWOVWIUVXLC-UHFFFAOYSA-N 1 2 377.444 3.584 20 30 GHEDLO N#Cc1cc(Br)c(Cl)cc1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212672278 905666790 /nfs/dbraw/zinc/66/67/90/905666790.db2.gz JXIGANRBBFJGLC-UHFFFAOYSA-N 1 2 392.684 3.894 20 30 GHEDLO C=CCOC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@@H](C)CSCC ZINC001173293293 906355848 /nfs/dbraw/zinc/35/58/48/906355848.db2.gz DYXNEZYHKMWTON-HOTGVXAUSA-N 1 2 388.574 3.510 20 30 GHEDLO Cn1cc(C[N@@H+]2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1C#N ZINC000191200907 906735066 /nfs/dbraw/zinc/73/50/66/906735066.db2.gz KURDBIDYZHCMIO-UHFFFAOYSA-N 1 2 376.426 3.623 20 30 GHEDLO Cn1cc(C[N@H+]2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1C#N ZINC000191200907 906735078 /nfs/dbraw/zinc/73/50/78/906735078.db2.gz KURDBIDYZHCMIO-UHFFFAOYSA-N 1 2 376.426 3.623 20 30 GHEDLO COc1ccc(NC(=O)C[NH+]2CCC(Nc3ccccc3C#N)CC2)cc1Cl ZINC001174982897 907333370 /nfs/dbraw/zinc/33/33/70/907333370.db2.gz AAWXVSLOYLHMKH-UHFFFAOYSA-N 1 2 398.894 3.735 20 30 GHEDLO Cc1nc(C(F)(F)F)c(CO/[NH+]=C/c2ccc(N3CCOCC3)cc2)s1 ZINC000184166041 907528437 /nfs/dbraw/zinc/52/84/37/907528437.db2.gz OMGQFZWHBANETQ-UFFVCSGVSA-N 1 2 385.411 3.858 20 30 GHEDLO C=CC[C@H](C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1)c1ccccc1 ZINC000186420057 907922709 /nfs/dbraw/zinc/92/27/09/907922709.db2.gz NDVUSJPEWGVZQL-QFIPXVFZSA-N 1 2 391.515 3.566 20 30 GHEDLO Nc1ccc(C(c2ccc(N)cc2)=C2C=CC(=[NH+]c3cnn(CCO)c3)C=C2)cc1 ZINC001176473493 908125213 /nfs/dbraw/zinc/12/52/13/908125213.db2.gz IEXHDUNEZXZXJV-UHFFFAOYSA-N 1 2 397.482 3.740 20 30 GHEDLO CC[C@@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1nc(C(F)(F)F)cs1 ZINC000266734365 909280131 /nfs/dbraw/zinc/28/01/31/909280131.db2.gz WPPNYSVKJPVKRZ-ZIAGYGMSSA-N 1 2 394.422 3.880 20 30 GHEDLO CC[N@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccc(OC)cc1OC ZINC000266780860 909298880 /nfs/dbraw/zinc/29/88/80/909298880.db2.gz ZUUKXBXUBZRFMW-UHFFFAOYSA-N 1 2 399.516 3.780 20 30 GHEDLO CC[N@@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccc(OC)cc1OC ZINC000266780860 909298893 /nfs/dbraw/zinc/29/88/93/909298893.db2.gz ZUUKXBXUBZRFMW-UHFFFAOYSA-N 1 2 399.516 3.780 20 30 GHEDLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N[C@H](c1cc(F)ccc1F)C(F)F ZINC000635868462 909365327 /nfs/dbraw/zinc/36/53/27/909365327.db2.gz DWJWPHSSVLUKBF-DGCLKSJQSA-N 1 2 383.267 3.777 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2Cc3ccccc3O[C@@H](C)C2)cc1 ZINC000795428808 910271458 /nfs/dbraw/zinc/27/14/58/910271458.db2.gz BSXRESJZMVOCJH-OALUTQOASA-N 1 2 377.488 3.913 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2Cc3ccccc3O[C@@H](C)C2)cc1 ZINC000795428808 910271476 /nfs/dbraw/zinc/27/14/76/910271476.db2.gz BSXRESJZMVOCJH-OALUTQOASA-N 1 2 377.488 3.913 20 30 GHEDLO CC(C)(C)c1ccc(C[NH+]2CCN(C(=O)c3cccc(C#N)c3F)CC2)cc1 ZINC001190537462 917396271 /nfs/dbraw/zinc/39/62/71/917396271.db2.gz MZHJDGBPVZCQAB-UHFFFAOYSA-N 1 2 379.479 3.953 20 30 GHEDLO CCc1ccc(O[C@@H](C)C(=O)N2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC001190995213 917724510 /nfs/dbraw/zinc/72/45/10/917724510.db2.gz MEWGPZOLMJZHFS-MOPGFXCFSA-N 1 2 391.515 3.793 20 30 GHEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1sc(N2CCCC2)nc1Cl ZINC001275854675 918749061 /nfs/dbraw/zinc/74/90/61/918749061.db2.gz QCQKDWGWBIIZKL-LJQANCHMSA-N 1 2 394.972 3.540 20 30 GHEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1sc(N2CCCC2)nc1Cl ZINC001275854675 918749069 /nfs/dbraw/zinc/74/90/69/918749069.db2.gz QCQKDWGWBIIZKL-LJQANCHMSA-N 1 2 394.972 3.540 20 30 GHEDLO CC[C@H]1c2ccccc2CC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000114492694 919394648 /nfs/dbraw/zinc/39/46/48/919394648.db2.gz SNCQVUOCHXVYMH-NRFANRHFSA-N 1 2 385.471 3.692 20 30 GHEDLO CC[C@H]1c2ccccc2CC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000114492694 919394752 /nfs/dbraw/zinc/39/47/52/919394752.db2.gz SNCQVUOCHXVYMH-NRFANRHFSA-N 1 2 385.471 3.692 20 30 GHEDLO CC[C@@H](NC(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1)c1ccc(Cl)cc1 ZINC000367066940 921903066 /nfs/dbraw/zinc/90/30/66/921903066.db2.gz PEFUVDJIBDJYRI-LJQANCHMSA-N 1 2 396.922 3.860 20 30 GHEDLO Cc1noc(C)c1CO[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000368461961 922688135 /nfs/dbraw/zinc/68/81/35/922688135.db2.gz LGRPOOPGNMPJOM-MRXNPFEDSA-N 1 2 390.281 3.717 20 30 GHEDLO Cc1noc(C)c1CO[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000368461961 922688146 /nfs/dbraw/zinc/68/81/46/922688146.db2.gz LGRPOOPGNMPJOM-MRXNPFEDSA-N 1 2 390.281 3.717 20 30 GHEDLO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000368516524 922723368 /nfs/dbraw/zinc/72/33/68/922723368.db2.gz ZHWQFQFKIJVTRO-OALUTQOASA-N 1 2 376.504 3.513 20 30 GHEDLO C[C@H]1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)C[C@H]1n1cc[nH+]c1 ZINC000368942855 922993560 /nfs/dbraw/zinc/99/35/60/922993560.db2.gz ZPJAPQXIVZMLKA-LAUBAEHRSA-N 1 2 375.476 3.865 20 30 GHEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000369752007 923598530 /nfs/dbraw/zinc/59/85/30/923598530.db2.gz CGQCMEKTRLWBGB-SFTDATJTSA-N 1 2 389.503 3.663 20 30 GHEDLO CCc1ccc([C@H](C)NC(=O)[C@@H](C)[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1 ZINC000370309334 924026295 /nfs/dbraw/zinc/02/62/95/924026295.db2.gz SJPMDSDNTKHVSD-RBUKOAKNSA-N 1 2 390.531 3.767 20 30 GHEDLO C=CCOCCNC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000679487264 925158657 /nfs/dbraw/zinc/15/86/57/925158657.db2.gz FUGUICXKPCBGLY-UHFFFAOYSA-N 1 2 390.487 3.600 20 30 GHEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000410501335 925692546 /nfs/dbraw/zinc/69/25/46/925692546.db2.gz ZINXNNTZTBUSQQ-UHFFFAOYSA-N 1 2 391.515 3.906 20 30 GHEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)N1CCc2sccc2C1 ZINC000411191867 926186993 /nfs/dbraw/zinc/18/69/93/926186993.db2.gz KQXSTTOSQJGROZ-HNNXBMFYSA-N 1 2 385.489 3.618 20 30 GHEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)N1CCc2sccc2C1 ZINC000411191867 926186996 /nfs/dbraw/zinc/18/69/96/926186996.db2.gz KQXSTTOSQJGROZ-HNNXBMFYSA-N 1 2 385.489 3.618 20 30 GHEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+]([C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411319541 926303353 /nfs/dbraw/zinc/30/33/53/926303353.db2.gz CUTUWPUFKDVKIY-FUHWJXTLSA-N 1 2 378.407 3.623 20 30 GHEDLO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000373742512 926382526 /nfs/dbraw/zinc/38/25/26/926382526.db2.gz PXFZVNGGYILVNX-LJQANCHMSA-N 1 2 386.455 3.843 20 30 GHEDLO C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000374341140 927035701 /nfs/dbraw/zinc/03/57/01/927035701.db2.gz NEPLYPGJYZSTJJ-MRXNPFEDSA-N 1 2 384.439 3.879 20 30 GHEDLO C#CCC[NH+]1CCN(C(=O)[C@@H](C)Sc2ccnc3cc(Cl)ccc32)CC1 ZINC000749937366 927359492 /nfs/dbraw/zinc/35/94/92/927359492.db2.gz LIRBQECLRHBVGZ-OAHLLOKOSA-N 1 2 387.936 3.536 20 30 GHEDLO C#CCCNC(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000752173068 928657783 /nfs/dbraw/zinc/65/77/83/928657783.db2.gz JRCGAMMNVSNFRO-OAQYLSRUSA-N 1 2 381.907 3.780 20 30 GHEDLO Cc1occc1C[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC000467180912 928795227 /nfs/dbraw/zinc/79/52/27/928795227.db2.gz NQADTNIIKGZPKO-UHFFFAOYSA-N 1 2 376.460 3.938 20 30 GHEDLO Cc1occc1C[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC000467180912 928795236 /nfs/dbraw/zinc/79/52/36/928795236.db2.gz NQADTNIIKGZPKO-UHFFFAOYSA-N 1 2 376.460 3.938 20 30 GHEDLO CCn1nc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)c2ccccc21 ZINC000546035371 929792231 /nfs/dbraw/zinc/79/22/31/929792231.db2.gz XCISRAGCNUNWDO-UHFFFAOYSA-N 1 2 396.498 3.798 20 30 GHEDLO COc1ccc(OC)c(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c1 ZINC000470994164 931082949 /nfs/dbraw/zinc/08/29/49/931082949.db2.gz LPKUTWXQYWQBFK-HXUWFJFHSA-N 1 2 385.895 3.740 20 30 GHEDLO C=CCc1cc(C[NH2+]Cc2ncc(Br)s2)cc(OC)c1OC ZINC000782360259 931190549 /nfs/dbraw/zinc/19/05/49/931190549.db2.gz ZHNBXOIJYIDOJE-UHFFFAOYSA-N 1 2 383.311 3.941 20 30 GHEDLO COc1cccc2c1CC[N@H+](CC(=O)[C@@H](C#N)c1nc3ccccc3s1)C2 ZINC000782529928 931259727 /nfs/dbraw/zinc/25/97/27/931259727.db2.gz SMYMPJFWTOVOBX-MRXNPFEDSA-N 1 2 377.469 3.539 20 30 GHEDLO COc1cccc2c1CC[N@@H+](CC(=O)[C@@H](C#N)c1nc3ccccc3s1)C2 ZINC000782529928 931259733 /nfs/dbraw/zinc/25/97/33/931259733.db2.gz SMYMPJFWTOVOBX-MRXNPFEDSA-N 1 2 377.469 3.539 20 30 GHEDLO CC(C)c1ccccc1NC(=O)CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782949850 931373108 /nfs/dbraw/zinc/37/31/08/931373108.db2.gz ODYXMKXUXQGEFL-UHFFFAOYSA-N 1 2 390.281 3.848 20 30 GHEDLO N#Cc1ccc(C2=CC[N@H+](CN3C[C@@H](c4ccccc4F)CC3=O)CC2)cc1 ZINC000783992472 931742948 /nfs/dbraw/zinc/74/29/48/931742948.db2.gz JRADNHDHCROTHI-FQEVSTJZSA-N 1 2 375.447 3.760 20 30 GHEDLO N#Cc1ccc(C2=CC[N@@H+](CN3C[C@@H](c4ccccc4F)CC3=O)CC2)cc1 ZINC000783992472 931742955 /nfs/dbraw/zinc/74/29/55/931742955.db2.gz JRADNHDHCROTHI-FQEVSTJZSA-N 1 2 375.447 3.760 20 30 GHEDLO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2Cc2nc3ccccc3c(=O)n2CC#N)c1 ZINC000784352279 931866616 /nfs/dbraw/zinc/86/66/16/931866616.db2.gz GHMKGQNBAXVJTK-IIBYNOLFSA-N 1 2 388.471 3.512 20 30 GHEDLO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2Cc2nc3ccccc3c(=O)n2CC#N)c1 ZINC000784352279 931866621 /nfs/dbraw/zinc/86/66/21/931866621.db2.gz GHMKGQNBAXVJTK-IIBYNOLFSA-N 1 2 388.471 3.512 20 30 GHEDLO Cc1cc([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)ccc1N1CCOCC1 ZINC000796934299 932113425 /nfs/dbraw/zinc/11/34/25/932113425.db2.gz QQAWMSLKMMORHZ-UHFFFAOYSA-N 1 2 376.504 3.784 20 30 GHEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000798275736 932588043 /nfs/dbraw/zinc/58/80/43/932588043.db2.gz UDJRPWRQSXDQEG-QUCCMNQESA-N 1 2 384.524 3.526 20 30 GHEDLO CC(C)[C@H]1C[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CCCO1 ZINC000559496350 932706569 /nfs/dbraw/zinc/70/65/69/932706569.db2.gz UITKQVMEIKJOIF-MAUKXSAKSA-N 1 2 389.565 3.963 20 30 GHEDLO CC(C)[C@H]1C[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CCCO1 ZINC000559496350 932706574 /nfs/dbraw/zinc/70/65/74/932706574.db2.gz UITKQVMEIKJOIF-MAUKXSAKSA-N 1 2 389.565 3.963 20 30 GHEDLO COc1c(C)c[nH+]c(CNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)c1C ZINC000799456408 933012896 /nfs/dbraw/zinc/01/28/96/933012896.db2.gz JPSVJLNUYWFPTE-UHFFFAOYSA-N 1 2 394.353 3.799 20 30 GHEDLO NC(=[NH+]OCCO[C@@H]1CCCCO1)c1ccc(COc2ccccc2F)cc1 ZINC000799584394 933050660 /nfs/dbraw/zinc/05/06/60/933050660.db2.gz YLGFGRHXXGTAOB-HXUWFJFHSA-N 1 2 388.439 3.585 20 30 GHEDLO COC[C@@H](C)N[NH+]=CC1=C(N2CCOCC2)/C(=C\c2ccc(Cl)cc2)CC1 ZINC000777901787 934024581 /nfs/dbraw/zinc/02/45/81/934024581.db2.gz LXEIEMYYIPSSPQ-BWUJGCINSA-N 1 2 389.927 3.714 20 30 GHEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@H]1c1cccc(Cl)c1 ZINC001121323794 934626819 /nfs/dbraw/zinc/62/68/19/934626819.db2.gz DOOOANNMAGWBKY-IBGZPJMESA-N 1 2 398.942 3.903 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCCC[C@H](C2CCOCC2)C1 ZINC001121508931 934678918 /nfs/dbraw/zinc/67/89/18/934678918.db2.gz ABABNIZOIUTUOS-PMACEKPBSA-N 1 2 387.572 3.654 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCCC[C@H](C2CCOCC2)C1 ZINC001121508931 934678922 /nfs/dbraw/zinc/67/89/22/934678922.db2.gz ABABNIZOIUTUOS-PMACEKPBSA-N 1 2 387.572 3.654 20 30 GHEDLO C[N@@H+]1CCCC[C@H]1c1nnc(N2CCC(C)(C#N)CC2)n1Cc1ccccc1 ZINC001122082092 934817549 /nfs/dbraw/zinc/81/75/49/934817549.db2.gz XHIVMSUKXRJXBZ-IBGZPJMESA-N 1 2 378.524 3.613 20 30 GHEDLO C[N@H+]1CCCC[C@H]1c1nnc(N2CCC(C)(C#N)CC2)n1Cc1ccccc1 ZINC001122082092 934817553 /nfs/dbraw/zinc/81/75/53/934817553.db2.gz XHIVMSUKXRJXBZ-IBGZPJMESA-N 1 2 378.524 3.613 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC[C@H](COCC)C1 ZINC001122444378 934871663 /nfs/dbraw/zinc/87/16/63/934871663.db2.gz AEONDNIATMUMJJ-RBUKOAKNSA-N 1 2 386.544 3.549 20 30 GHEDLO CC(C)CO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000468767333 1016013913 /nfs/dbraw/zinc/01/39/13/1016013913.db2.gz AXBNZEMDJORJDA-HZPDHXFCSA-N 1 2 389.565 3.963 20 30 GHEDLO CC(C)CO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000468767333 1016013923 /nfs/dbraw/zinc/01/39/23/1016013923.db2.gz AXBNZEMDJORJDA-HZPDHXFCSA-N 1 2 389.565 3.963 20 30 GHEDLO N#Cc1cccc(-c2cc(C(=O)N3CCC(CCCn4cc[nH+]c4)CC3)on2)c1 ZINC000468851084 1016110584 /nfs/dbraw/zinc/11/05/84/1016110584.db2.gz FRPIGAHOGFMFDA-UHFFFAOYSA-N 1 2 389.459 3.742 20 30 GHEDLO C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1c(F)ccc(F)c1Br)CC2 ZINC001276446375 1032636515 /nfs/dbraw/zinc/63/65/15/1032636515.db2.gz WGZFGARQZDCAEM-ZDUSSCGKSA-N 1 2 399.279 3.632 20 30 GHEDLO Cc1nc(O[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(C#N)c(C)c1Cl ZINC001227828568 1032637736 /nfs/dbraw/zinc/63/77/36/1032637736.db2.gz RZIBFUGCBXHJKD-APWZRJJASA-N 1 2 385.895 3.892 20 30 GHEDLO Cc1nc(O[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(C#N)c(C)c1Cl ZINC001227828568 1032637743 /nfs/dbraw/zinc/63/77/43/1032637743.db2.gz RZIBFUGCBXHJKD-APWZRJJASA-N 1 2 385.895 3.892 20 30 GHEDLO C=CCc1cc(OC)cc(C[N@@H+]2CCc3c(ncn3-c3ccccc3)C2)c1O ZINC000777958572 1017927598 /nfs/dbraw/zinc/92/75/98/1017927598.db2.gz OLQMMDQNWKBYNK-UHFFFAOYSA-N 1 2 375.472 3.873 20 30 GHEDLO C=CCc1cc(OC)cc(C[N@H+]2CCc3c(ncn3-c3ccccc3)C2)c1O ZINC000777958572 1017927602 /nfs/dbraw/zinc/92/76/02/1017927602.db2.gz OLQMMDQNWKBYNK-UHFFFAOYSA-N 1 2 375.472 3.873 20 30 GHEDLO C=CCOc1ccc(C[N@H+]2Cc3nn(CC4CC4)cc3[C@H](COCC)C2)cc1 ZINC001204301124 1032742919 /nfs/dbraw/zinc/74/29/19/1032742919.db2.gz OKWMAFRIUUITLU-FQEVSTJZSA-N 1 2 381.520 3.994 20 30 GHEDLO C=CCOc1ccc(C[N@@H+]2CCc3onc(COc4ccccn4)c3C2)cc1 ZINC001204300537 1032741477 /nfs/dbraw/zinc/74/14/77/1032741477.db2.gz OXCSCKKVZHGFHK-UHFFFAOYSA-N 1 2 377.444 3.772 20 30 GHEDLO C=CCOc1ccc(C[N@H+]2CCc3onc(COc4ccccn4)c3C2)cc1 ZINC001204300537 1032741494 /nfs/dbraw/zinc/74/14/94/1032741494.db2.gz OXCSCKKVZHGFHK-UHFFFAOYSA-N 1 2 377.444 3.772 20 30 GHEDLO C=CCOc1ccc(C[N@@H+]2Cc3nn(CC4CC4)cc3[C@H](COCC)C2)cc1 ZINC001204301124 1032742910 /nfs/dbraw/zinc/74/29/10/1032742910.db2.gz OKWMAFRIUUITLU-FQEVSTJZSA-N 1 2 381.520 3.994 20 30 GHEDLO Fc1cc(C[NH+]2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)ccn1 ZINC000932941520 1018769162 /nfs/dbraw/zinc/76/91/62/1018769162.db2.gz VWAUKQYKNWYQAI-IUCAKERBSA-N 1 2 378.238 3.824 20 30 GHEDLO C[C@@H](c1nnc(SCc2ccc(C#N)cn2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000563820478 1018965103 /nfs/dbraw/zinc/96/51/03/1018965103.db2.gz WBKVZPWEGQFIFG-ZDUSSCGKSA-N 1 2 382.468 3.588 20 30 GHEDLO CC(=O)n1cc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c2ccccc21 ZINC001204409933 1032834692 /nfs/dbraw/zinc/83/46/92/1032834692.db2.gz KJFLOENSHYXNGP-UHFFFAOYSA-N 1 2 376.435 3.634 20 30 GHEDLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc(C#N)c1 ZINC000155793277 1019553538 /nfs/dbraw/zinc/55/35/38/1019553538.db2.gz XHPMDQHAISGXJH-VGSWGCGISA-N 1 2 376.504 3.634 20 30 GHEDLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc(C#N)c1 ZINC000155793277 1019553552 /nfs/dbraw/zinc/55/35/52/1019553552.db2.gz XHPMDQHAISGXJH-VGSWGCGISA-N 1 2 376.504 3.634 20 30 GHEDLO CC1(C)Cc2ccsc2C[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000576802367 1020066195 /nfs/dbraw/zinc/06/61/95/1020066195.db2.gz LTAPFGGGGUDOJD-UHFFFAOYSA-N 1 2 391.500 3.581 20 30 GHEDLO CC1(C)Cc2ccsc2C[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000576802367 1020066206 /nfs/dbraw/zinc/06/62/06/1020066206.db2.gz LTAPFGGGGUDOJD-UHFFFAOYSA-N 1 2 391.500 3.581 20 30 GHEDLO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000578029116 1020308807 /nfs/dbraw/zinc/30/88/07/1020308807.db2.gz RWHREPDEEIBQQE-UHFFFAOYSA-N 1 2 396.926 3.825 20 30 GHEDLO Fc1cccc(C[N@@H+]2CCCN(CC(F)(F)F)CC2)c1OCC(F)(F)F ZINC000628130048 1020667472 /nfs/dbraw/zinc/66/74/72/1020667472.db2.gz HJKFYDPPCAQWQQ-UHFFFAOYSA-N 1 2 388.327 3.837 20 30 GHEDLO Fc1cccc(C[N@H+]2CCCN(CC(F)(F)F)CC2)c1OCC(F)(F)F ZINC000628130048 1020667476 /nfs/dbraw/zinc/66/74/76/1020667476.db2.gz HJKFYDPPCAQWQQ-UHFFFAOYSA-N 1 2 388.327 3.837 20 30 GHEDLO C=CCN1CC[C@@]2(C[N@H+](Cc3c(O)cc(F)cc3F)C[C@@H]2c2ccccc2)C1=O ZINC001140580807 1022000181 /nfs/dbraw/zinc/00/01/81/1022000181.db2.gz GMJDIPCAFFKXOT-XXBNENTESA-N 1 2 398.453 3.675 20 30 GHEDLO C=CCN1CC[C@@]2(C[N@@H+](Cc3c(O)cc(F)cc3F)C[C@@H]2c2ccccc2)C1=O ZINC001140580807 1022000199 /nfs/dbraw/zinc/00/01/99/1022000199.db2.gz GMJDIPCAFFKXOT-XXBNENTESA-N 1 2 398.453 3.675 20 30 GHEDLO CC(C)(C)OC(=O)N1CC2(C1)CCC[N@H+](Cc1cc(F)c(C#N)c(F)c1)C2 ZINC001140753402 1022439076 /nfs/dbraw/zinc/43/90/76/1022439076.db2.gz GXCOTTPEGWDZTN-UHFFFAOYSA-N 1 2 377.435 3.669 20 30 GHEDLO CC(C)(C)OC(=O)N1CC2(C1)CCC[N@@H+](Cc1cc(F)c(C#N)c(F)c1)C2 ZINC001140753402 1022439084 /nfs/dbraw/zinc/43/90/84/1022439084.db2.gz GXCOTTPEGWDZTN-UHFFFAOYSA-N 1 2 377.435 3.669 20 30 GHEDLO C=CCOC[C@H]1C[N@H+](Cc2coc3ccccc23)Cc2nnn(CC3CC3)c21 ZINC001140783401 1022513364 /nfs/dbraw/zinc/51/33/64/1022513364.db2.gz VHNQKUVRJUGKFG-GOSISDBHSA-N 1 2 378.476 3.736 20 30 GHEDLO C=CCOC[C@H]1C[N@@H+](Cc2coc3ccccc23)Cc2nnn(CC3CC3)c21 ZINC001140783401 1022513376 /nfs/dbraw/zinc/51/33/76/1022513376.db2.gz VHNQKUVRJUGKFG-GOSISDBHSA-N 1 2 378.476 3.736 20 30 GHEDLO C#CC[N@@H+](Cc1cnccc1NC(=O)OC(C)(C)C)[C@@H]1CCc2ccccc21 ZINC001140911756 1022856808 /nfs/dbraw/zinc/85/68/08/1022856808.db2.gz IDIVRBKEELGYTP-OAQYLSRUSA-N 1 2 377.488 3.973 20 30 GHEDLO C#CC[N@H+](Cc1cnccc1NC(=O)OC(C)(C)C)[C@@H]1CCc2ccccc21 ZINC001140911756 1022856826 /nfs/dbraw/zinc/85/68/26/1022856826.db2.gz IDIVRBKEELGYTP-OAQYLSRUSA-N 1 2 377.488 3.973 20 30 GHEDLO COc1ccc(C[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)cc1C#N ZINC000754833900 1022922475 /nfs/dbraw/zinc/92/24/75/1022922475.db2.gz MELHZOYULLSEOP-UHFFFAOYSA-N 1 2 388.258 3.744 20 30 GHEDLO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000754897228 1022956452 /nfs/dbraw/zinc/95/64/52/1022956452.db2.gz FJYHGKCSMDHGQS-WOJBJXKFSA-N 1 2 386.854 3.666 20 30 GHEDLO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000754897228 1022956461 /nfs/dbraw/zinc/95/64/61/1022956461.db2.gz FJYHGKCSMDHGQS-WOJBJXKFSA-N 1 2 386.854 3.666 20 30 GHEDLO Cc1nc(NCc2cccc(C(=O)OCc3cccc(C#N)c3F)c2)cc[nH+]1 ZINC000754955039 1022983489 /nfs/dbraw/zinc/98/34/89/1022983489.db2.gz GQCWBIQHWXLYGL-UHFFFAOYSA-N 1 2 376.391 3.765 20 30 GHEDLO CCCNC(=O)c1ccccc1OC1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC001141168034 1024000286 /nfs/dbraw/zinc/00/02/86/1024000286.db2.gz GAOZCVPZIYUOOA-UHFFFAOYSA-N 1 2 395.478 3.881 20 30 GHEDLO N#Cc1ccc(Oc2ccc(C[NH+]3CCN(C(=O)c4ccncc4)CC3)cc2)cc1 ZINC001141295917 1024433154 /nfs/dbraw/zinc/43/31/54/1024433154.db2.gz OVPZWQCUJYYYAP-UHFFFAOYSA-N 1 2 398.466 3.704 20 30 GHEDLO N#Cc1nccnc1N1CC[NH+](Cc2ccc(Oc3ccc(F)cc3)cc2)CC1 ZINC001141317007 1024526115 /nfs/dbraw/zinc/52/61/15/1024526115.db2.gz GPEFMMRECZVHAX-UHFFFAOYSA-N 1 2 389.434 3.602 20 30 GHEDLO C=CCOCc1ncn2c1C[N@H+](Cc1ccc(OC(F)F)c(OC)c1)CCC2 ZINC001138552252 1025005799 /nfs/dbraw/zinc/00/57/99/1025005799.db2.gz AIPZCDNPXUVJHA-UHFFFAOYSA-N 1 2 393.434 3.602 20 30 GHEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1ccc(OC(F)F)c(OC)c1)CCC2 ZINC001138552252 1025005807 /nfs/dbraw/zinc/00/58/07/1025005807.db2.gz AIPZCDNPXUVJHA-UHFFFAOYSA-N 1 2 393.434 3.602 20 30 GHEDLO C=CCOC[C@@H]1C[N@H+](Cc2ccccc2OCC=C)Cc2nnn(CC3CC3)c21 ZINC001139028315 1025795122 /nfs/dbraw/zinc/79/51/22/1025795122.db2.gz RPOYTFIRLNSOLH-FQEVSTJZSA-N 1 2 394.519 3.555 20 30 GHEDLO C=CCOC[C@@H]1C[N@@H+](Cc2ccccc2OCC=C)Cc2nnn(CC3CC3)c21 ZINC001139028315 1025795135 /nfs/dbraw/zinc/79/51/35/1025795135.db2.gz RPOYTFIRLNSOLH-FQEVSTJZSA-N 1 2 394.519 3.555 20 30 GHEDLO C=CCOc1ccccc1C[N@@H+]1CCc2onc(COc3cccnc3)c2C1 ZINC001139031999 1025800653 /nfs/dbraw/zinc/80/06/53/1025800653.db2.gz GKUDBCIRLBWPRM-UHFFFAOYSA-N 1 2 377.444 3.772 20 30 GHEDLO C=CCOc1ccccc1C[N@H+]1CCc2onc(COc3cccnc3)c2C1 ZINC001139031999 1025800678 /nfs/dbraw/zinc/80/06/78/1025800678.db2.gz GKUDBCIRLBWPRM-UHFFFAOYSA-N 1 2 377.444 3.772 20 30 GHEDLO Cc1cc(C(F)(F)F)c(=O)n(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)n1 ZINC000839981284 1026389569 /nfs/dbraw/zinc/38/95/69/1026389569.db2.gz VPSTYUMQJMQYFV-UHFFFAOYSA-N 1 2 378.398 3.558 20 30 GHEDLO Cc1cc(C(F)(F)F)c(=O)n(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)n1 ZINC000839981284 1026389582 /nfs/dbraw/zinc/38/95/82/1026389582.db2.gz VPSTYUMQJMQYFV-UHFFFAOYSA-N 1 2 378.398 3.558 20 30 GHEDLO N#Cc1c(Cl)cccc1C[NH+]1CCC2(CCC(=O)N2Cc2ccncc2)CC1 ZINC001139688724 1026539563 /nfs/dbraw/zinc/53/95/63/1026539563.db2.gz CGNQHLGTRDBGBR-UHFFFAOYSA-N 1 2 394.906 3.764 20 30 GHEDLO N#Cc1c(Cl)cccc1C[N@H+]1CCCN(c2nccc(C(F)(F)F)n2)CC1 ZINC001139690991 1026543440 /nfs/dbraw/zinc/54/34/40/1026543440.db2.gz OBXCXQYUSQWIIW-UHFFFAOYSA-N 1 2 395.816 3.733 20 30 GHEDLO N#Cc1c(Cl)cccc1C[N@@H+]1CCCN(c2nccc(C(F)(F)F)n2)CC1 ZINC001139690991 1026543448 /nfs/dbraw/zinc/54/34/48/1026543448.db2.gz OBXCXQYUSQWIIW-UHFFFAOYSA-N 1 2 395.816 3.733 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[NH+](Cc2cccc(CN3CCCC[C@H]3C#N)c2)CC1 ZINC001139708749 1026554207 /nfs/dbraw/zinc/55/42/07/1026554207.db2.gz TXQYQDRNMDIYDB-NRFANRHFSA-N 1 2 398.551 3.617 20 30 GHEDLO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1nc(C(F)(F)F)cs1)C2 ZINC001141758245 1027132959 /nfs/dbraw/zinc/13/29/59/1027132959.db2.gz CVFADAMZHTUBSZ-HOCLYGCPSA-N 1 2 376.444 3.736 20 30 GHEDLO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1nc(C(F)(F)F)cs1)C2 ZINC001141758245 1027132968 /nfs/dbraw/zinc/13/29/68/1027132968.db2.gz CVFADAMZHTUBSZ-HOCLYGCPSA-N 1 2 376.444 3.736 20 30 GHEDLO N#Cc1cnn(-c2ccc(Cl)cc2)c1Nc1ccccc1C[NH+]1CCOCC1 ZINC001209927422 1027279357 /nfs/dbraw/zinc/27/93/57/1027279357.db2.gz VAYPSSNSZUVLJR-UHFFFAOYSA-N 1 2 393.878 3.973 20 30 GHEDLO CSc1nc(C[NH+]2CCC3(CC(=O)c4ccc(F)cc43)CC2)ccc1C#N ZINC001141931511 1027689609 /nfs/dbraw/zinc/68/96/09/1027689609.db2.gz BLGAJGRFTLXSPI-UHFFFAOYSA-N 1 2 381.476 3.934 20 30 GHEDLO Cc1ccc(C[NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)c(Cl)n1 ZINC001142147031 1028244804 /nfs/dbraw/zinc/24/48/04/1028244804.db2.gz DRBYEZACKQRQPH-UHFFFAOYSA-N 1 2 383.883 3.701 20 30 GHEDLO C=CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@]2(CC)c1cccc(Nc2c[nH+]cc(C)c2C)c1 ZINC001213536485 1028248709 /nfs/dbraw/zinc/24/87/09/1028248709.db2.gz LOBOBCXZPBRRSB-JHDGKUDLSA-N 1 2 375.472 3.891 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC001142196822 1028339329 /nfs/dbraw/zinc/33/93/29/1028339329.db2.gz LZBOYDYUADLZTD-FQEVSTJZSA-N 1 2 397.519 3.677 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC001142196822 1028339348 /nfs/dbraw/zinc/33/93/48/1028339348.db2.gz LZBOYDYUADLZTD-FQEVSTJZSA-N 1 2 397.519 3.677 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1cc(F)c(F)cc1O)CC2 ZINC001142512711 1029014963 /nfs/dbraw/zinc/01/49/63/1029014963.db2.gz JASJKQVNFPVCIL-UHFFFAOYSA-N 1 2 389.446 3.538 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1cc(F)c(F)cc1O)CC2 ZINC001142512711 1029014980 /nfs/dbraw/zinc/01/49/80/1029014980.db2.gz JASJKQVNFPVCIL-UHFFFAOYSA-N 1 2 389.446 3.538 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(F)ccc(C#N)c1F ZINC001143166973 1029877820 /nfs/dbraw/zinc/87/78/20/1029877820.db2.gz NSLMBAAYHKWYHM-CABCVRRESA-N 1 2 377.435 3.810 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(F)ccc(C#N)c1F ZINC001143166973 1029877825 /nfs/dbraw/zinc/87/78/25/1029877825.db2.gz NSLMBAAYHKWYHM-CABCVRRESA-N 1 2 377.435 3.810 20 30 GHEDLO N#Cc1ccc(F)c(C[N@@H+]2CCCN(c3ncccc3C(F)(F)F)CC2)c1F ZINC001143173351 1029882275 /nfs/dbraw/zinc/88/22/75/1029882275.db2.gz YDDOOXOPNMANAH-UHFFFAOYSA-N 1 2 396.363 3.963 20 30 GHEDLO N#Cc1ccc(F)c(C[N@H+]2CCCN(c3ncccc3C(F)(F)F)CC2)c1F ZINC001143173351 1029882282 /nfs/dbraw/zinc/88/22/82/1029882282.db2.gz YDDOOXOPNMANAH-UHFFFAOYSA-N 1 2 396.363 3.963 20 30 GHEDLO N#Cc1cccc(C(=O)NCCn2c[nH+]cc2-c2ccccc2)c1Br ZINC001149856379 1030327065 /nfs/dbraw/zinc/32/70/65/1030327065.db2.gz PYBHNYOXXQOMKL-UHFFFAOYSA-N 1 2 395.260 3.614 20 30 GHEDLO COc1ccc(OC)c(/C(=N/O)O[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C)c1 ZINC001223889057 1030791537 /nfs/dbraw/zinc/79/15/37/1030791537.db2.gz VNROWVRIAMFNSJ-GVPMZPFWSA-N 1 2 384.476 3.767 20 30 GHEDLO COc1ccc(OC)c(/C(=N/O)O[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)c1 ZINC001223889057 1030791549 /nfs/dbraw/zinc/79/15/49/1030791549.db2.gz VNROWVRIAMFNSJ-GVPMZPFWSA-N 1 2 384.476 3.767 20 30 GHEDLO C=CCc1ccc(O[C@@H]2C[NH2+][C@H](C(=O)OC)C2)c(-c2ccc(O)c(CC=C)c2)c1 ZINC001218175049 1030807657 /nfs/dbraw/zinc/80/76/57/1030807657.db2.gz YPYDIKUMKCGONB-FPOVZHCZSA-N 1 2 393.483 3.799 20 30 GHEDLO C#CCOc1ccccc1C[NH2+]Cc1ccn(-c2ccc(Br)cc2)n1 ZINC001461761286 1069729696 /nfs/dbraw/zinc/72/96/96/1069729696.db2.gz SMGLJNIXTLUJFB-UHFFFAOYSA-N 1 2 396.288 3.937 20 30 GHEDLO N#Cc1ccc(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(Br)c1 ZINC001225764494 1031589261 /nfs/dbraw/zinc/58/92/61/1031589261.db2.gz HIIFDOSTAJKNFL-QGZVFWFLSA-N 1 2 387.277 3.601 20 30 GHEDLO N#Cc1ccc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(Br)c1 ZINC001225764494 1031589274 /nfs/dbraw/zinc/58/92/74/1031589274.db2.gz HIIFDOSTAJKNFL-QGZVFWFLSA-N 1 2 387.277 3.601 20 30 GHEDLO Cc1cc(N2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)n(-c2ccccc2)n1 ZINC001205496749 1033441671 /nfs/dbraw/zinc/44/16/71/1033441671.db2.gz PXNSFXWYUQRRES-UHFFFAOYSA-N 1 2 375.451 3.514 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc(C)c(Cl)cc1Cl)C2 ZINC001277444076 1033886970 /nfs/dbraw/zinc/88/69/70/1033886970.db2.gz ZQMLRGHJDYFALH-FQEVSTJZSA-N 1 2 397.346 3.929 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cc(C)c(Cl)cc1Cl)C2 ZINC001277444076 1033886986 /nfs/dbraw/zinc/88/69/86/1033886986.db2.gz ZQMLRGHJDYFALH-FQEVSTJZSA-N 1 2 397.346 3.929 20 30 GHEDLO N#Cc1c[nH]c2cc[nH+]c(N[C@@H]3N=C(c4ccccc4)c4ccccc4NC3=O)c12 ZINC001159531712 1034644006 /nfs/dbraw/zinc/64/40/06/1034644006.db2.gz IHJJYCGSMUHRBL-QFIPXVFZSA-N 1 2 392.422 3.662 20 30 GHEDLO Cc1cc(C(=O)N2CCC(Cc3c[nH]c[nH+]3)CC2)c(C)n1-c1ccc(C#N)cc1 ZINC001159973588 1034808717 /nfs/dbraw/zinc/80/87/17/1034808717.db2.gz FQWGJCBQCPHFHZ-UHFFFAOYSA-N 1 2 387.487 3.784 20 30 GHEDLO Cn1c2ccccc2n(C2CC[NH+](Cc3ccc(C#N)c(Cl)c3)CC2)c1=O ZINC001232115214 1035104881 /nfs/dbraw/zinc/10/48/81/1035104881.db2.gz IHIGVAYJIYJFBB-UHFFFAOYSA-N 1 2 380.879 3.702 20 30 GHEDLO C=CCCCCCCC[N@H+]1CCc2c(nnn2C)[C@H]1COCc1cccnc1 ZINC001209441917 1035275087 /nfs/dbraw/zinc/27/50/87/1035275087.db2.gz PSPAEAWSCUKCID-OAQYLSRUSA-N 1 2 383.540 3.853 20 30 GHEDLO C=CCCCCCCC[N@@H+]1CCc2c(nnn2C)[C@H]1COCc1cccnc1 ZINC001209441917 1035275089 /nfs/dbraw/zinc/27/50/89/1035275089.db2.gz PSPAEAWSCUKCID-OAQYLSRUSA-N 1 2 383.540 3.853 20 30 GHEDLO CC(C)(C)OC(=O)C1CCN(c2c(F)c[nH+]cc2Nc2ccc(C#N)nc2)CC1 ZINC001209559113 1035312505 /nfs/dbraw/zinc/31/25/05/1035312505.db2.gz CIHWSQMTYRYOAE-UHFFFAOYSA-N 1 2 397.454 3.789 20 30 GHEDLO C=C[C@H](CC(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1)c1ccccc1 ZINC001462234447 1070107655 /nfs/dbraw/zinc/10/76/55/1070107655.db2.gz NRSRLVONAPDCCT-FYYLOGMGSA-N 1 2 378.516 3.672 20 30 GHEDLO C=C[C@H](CC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1)c1ccccc1 ZINC001462234447 1070107665 /nfs/dbraw/zinc/10/76/65/1070107665.db2.gz NRSRLVONAPDCCT-FYYLOGMGSA-N 1 2 378.516 3.672 20 30 GHEDLO C=CCCCNC(=S)NCc1c[nH+]cn1Cc1ccccc1C(F)(F)F ZINC001247789000 1038382184 /nfs/dbraw/zinc/38/21/84/1038382184.db2.gz OTALKMVGZIWNBA-UHFFFAOYSA-N 1 2 382.455 3.881 20 30 GHEDLO C=CCCCNC(=S)NCc1c[nH+]cn1Cc1ccccc1Br ZINC001247789368 1038382593 /nfs/dbraw/zinc/38/25/93/1038382593.db2.gz YUSQVOVZJQDFDU-UHFFFAOYSA-N 1 2 393.354 3.624 20 30 GHEDLO Cc1nc(CN2CCCC23CC[NH+](Cc2cc(C#N)ccc2O)CC3)cs1 ZINC001232675732 1038474827 /nfs/dbraw/zinc/47/48/27/1038474827.db2.gz UOAJQQYIPGHAFS-UHFFFAOYSA-N 1 2 382.533 3.659 20 30 GHEDLO COc1cc(Br)cc(OC)c1C[N@H+](C)Cc1cccc(C#N)c1 ZINC001232698845 1038501293 /nfs/dbraw/zinc/50/12/93/1038501293.db2.gz SFMCJRLMMVXTQV-UHFFFAOYSA-N 1 2 375.266 3.970 20 30 GHEDLO COc1cc(Br)cc(OC)c1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC001232698845 1038501299 /nfs/dbraw/zinc/50/12/99/1038501299.db2.gz SFMCJRLMMVXTQV-UHFFFAOYSA-N 1 2 375.266 3.970 20 30 GHEDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(Br)c(C#N)c1 ZINC001232896640 1038689356 /nfs/dbraw/zinc/68/93/56/1038689356.db2.gz DWWUAMQIZQHXTN-DOMZBBRYSA-N 1 2 394.313 3.808 20 30 GHEDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(Br)c(C#N)c1 ZINC001232896640 1038689439 /nfs/dbraw/zinc/68/94/39/1038689439.db2.gz DWWUAMQIZQHXTN-DOMZBBRYSA-N 1 2 394.313 3.808 20 30 GHEDLO C=C[C@](C)(O)C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(Cl)cc1 ZINC001252554508 1039031236 /nfs/dbraw/zinc/03/12/36/1039031236.db2.gz HYNXGPIBMZIBRJ-XLIONFOSSA-N 1 2 380.916 3.871 20 30 GHEDLO C=C[C@](C)(O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(Cl)cc1 ZINC001252554508 1039031259 /nfs/dbraw/zinc/03/12/59/1039031259.db2.gz HYNXGPIBMZIBRJ-XLIONFOSSA-N 1 2 380.916 3.871 20 30 GHEDLO C=CCC[C@H](O)C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(F)cc1 ZINC001252602150 1039044845 /nfs/dbraw/zinc/04/48/45/1039044845.db2.gz NKRRFMHPVFBPKH-RBUKOAKNSA-N 1 2 378.488 3.747 20 30 GHEDLO C=CCC[C@H](O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(F)cc1 ZINC001252602150 1039044860 /nfs/dbraw/zinc/04/48/60/1039044860.db2.gz NKRRFMHPVFBPKH-RBUKOAKNSA-N 1 2 378.488 3.747 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@H](C[N@H+](Cc2ccc(C#N)cc2O)C2CC2)C1 ZINC001233387998 1039210404 /nfs/dbraw/zinc/21/04/04/1039210404.db2.gz HUHHYPBLYAVZAM-KRWDZBQOSA-N 1 2 385.508 3.875 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@H](C[N@@H+](Cc2ccc(C#N)cc2O)C2CC2)C1 ZINC001233387998 1039210419 /nfs/dbraw/zinc/21/04/19/1039210419.db2.gz HUHHYPBLYAVZAM-KRWDZBQOSA-N 1 2 385.508 3.875 20 30 GHEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3c(Cl)ccc(Br)c3Cl)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234200539 1039917311 /nfs/dbraw/zinc/91/73/11/1039917311.db2.gz GQTFMNNKRPENDY-JSEJZBOZSA-N 1 2 379.081 3.747 20 30 GHEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3c(Cl)ccc(Br)c3Cl)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234200539 1039917313 /nfs/dbraw/zinc/91/73/13/1039917313.db2.gz GQTFMNNKRPENDY-JSEJZBOZSA-N 1 2 379.081 3.747 20 30 GHEDLO Cn1cc(C[NH+]2CCN(c3ccsc3C#N)CC2)c(-c2cc(F)ccc2F)n1 ZINC001462422219 1070241295 /nfs/dbraw/zinc/24/12/95/1070241295.db2.gz RTPZMKIFMWJWKB-UHFFFAOYSA-N 1 2 399.470 3.621 20 30 GHEDLO C=CCc1ccc(OCC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)c(OC)c1 ZINC001462455703 1070264736 /nfs/dbraw/zinc/26/47/36/1070264736.db2.gz FHPXMAFWOJPDNH-FQEVSTJZSA-N 1 2 391.471 3.557 20 30 GHEDLO COC(=O)c1cc(Cl)c(O[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)cc1F ZINC001234957945 1040462454 /nfs/dbraw/zinc/46/24/54/1040462454.db2.gz IYMVCWPCMGDCQI-OAHLLOKOSA-N 1 2 388.826 3.791 20 30 GHEDLO COC(=O)c1cc(Cl)c(O[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)cc1F ZINC001234957945 1040462465 /nfs/dbraw/zinc/46/24/65/1040462465.db2.gz IYMVCWPCMGDCQI-OAHLLOKOSA-N 1 2 388.826 3.791 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1c[nH]c(-c2ccccc2F)c1 ZINC001235039879 1040533715 /nfs/dbraw/zinc/53/37/15/1040533715.db2.gz RGDYBUQIBOCZMA-OAQYLSRUSA-N 1 2 380.467 3.856 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1c[nH]c(-c2ccccc2F)c1 ZINC001235039879 1040533727 /nfs/dbraw/zinc/53/37/27/1040533727.db2.gz RGDYBUQIBOCZMA-OAQYLSRUSA-N 1 2 380.467 3.856 20 30 GHEDLO Cc1cccc(NC(=O)NC2CC[NH+](Cc3c(F)cc(C#N)cc3F)CC2)c1 ZINC001235666521 1041120581 /nfs/dbraw/zinc/12/05/81/1041120581.db2.gz JTQSCXYMTSZCBF-UHFFFAOYSA-N 1 2 384.430 3.931 20 30 GHEDLO Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC001462518508 1070321650 /nfs/dbraw/zinc/32/16/50/1070321650.db2.gz XLKKGFVEKFTVLG-UHFFFAOYSA-N 1 2 393.441 3.653 20 30 GHEDLO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1nc3ccc(F)cc3[nH]1)CC2 ZINC001235683092 1041152566 /nfs/dbraw/zinc/15/25/66/1041152566.db2.gz NDIMAVXPGHJCNL-UHFFFAOYSA-N 1 2 386.471 3.703 20 30 GHEDLO CCc1noc(C2CC[NH+](Cc3ccc(C#N)c(Br)c3)CC2)n1 ZINC001236861053 1041931847 /nfs/dbraw/zinc/93/18/47/1041931847.db2.gz KNZHKHNSFQZUPJ-UHFFFAOYSA-N 1 2 375.270 3.646 20 30 GHEDLO N#Cc1cc(Cl)cc(C[N@H+]2Cc3cncn3C[C@@H](COc3cccnc3)C2)c1 ZINC001237751580 1042354022 /nfs/dbraw/zinc/35/40/22/1042354022.db2.gz XGMWSDLNZHSBBZ-SFHVURJKSA-N 1 2 393.878 3.514 20 30 GHEDLO N#Cc1cc(Cl)cc(C[N@@H+]2Cc3cncn3C[C@@H](COc3cccnc3)C2)c1 ZINC001237751580 1042354029 /nfs/dbraw/zinc/35/40/29/1042354029.db2.gz XGMWSDLNZHSBBZ-SFHVURJKSA-N 1 2 393.878 3.514 20 30 GHEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3csc(-c4ccc(O)cc4)n3)C2)CC1 ZINC001237978234 1042443075 /nfs/dbraw/zinc/44/30/75/1042443075.db2.gz USTAEOLTCWEXQV-UHFFFAOYSA-N 1 2 399.516 3.736 20 30 GHEDLO COCCOc1cccc(N2CC[NH+](Cc3ccc(Cl)c(C#N)c3)CC2)c1 ZINC001238198714 1042516817 /nfs/dbraw/zinc/51/68/17/1042516817.db2.gz MNQRXGBRNCCTAD-UHFFFAOYSA-N 1 2 385.895 3.559 20 30 GHEDLO COc1cc(C[N@@H+]2CCN(Cc3ccncc3)c3nc(C)ccc3C2)ccc1C#N ZINC001238406902 1042586779 /nfs/dbraw/zinc/58/67/79/1042586779.db2.gz IKXXQAUQNMSNPV-UHFFFAOYSA-N 1 2 399.498 3.688 20 30 GHEDLO COc1cc(C[N@H+]2CCN(Cc3ccncc3)c3nc(C)ccc3C2)ccc1C#N ZINC001238406902 1042586781 /nfs/dbraw/zinc/58/67/81/1042586781.db2.gz IKXXQAUQNMSNPV-UHFFFAOYSA-N 1 2 399.498 3.688 20 30 GHEDLO COc1c(I)ccc(F)c1C[NH+]1CCC(CC#N)CC1 ZINC001238576037 1042645186 /nfs/dbraw/zinc/64/51/86/1042645186.db2.gz GHMRGOVMJIFQAB-UHFFFAOYSA-N 1 2 388.224 3.565 20 30 GHEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3ccc(F)c(F)c3OC(C)C)C2)CC1 ZINC001238739112 1042708047 /nfs/dbraw/zinc/70/80/47/1042708047.db2.gz KLRXDRMXYVABPF-UHFFFAOYSA-N 1 2 394.462 3.972 20 30 GHEDLO CCc1cc(C[N@H+](Cc2cnn(CC)c2)Cc2c(C)nn(C)c2C)ccc1C#N ZINC001238775818 1042723499 /nfs/dbraw/zinc/72/34/99/1042723499.db2.gz PFPYGLCXCXGAMT-UHFFFAOYSA-N 1 2 390.535 3.890 20 30 GHEDLO CCc1cc(C[N@@H+](Cc2cnn(CC)c2)Cc2c(C)nn(C)c2C)ccc1C#N ZINC001238775818 1042723502 /nfs/dbraw/zinc/72/35/02/1042723502.db2.gz PFPYGLCXCXGAMT-UHFFFAOYSA-N 1 2 390.535 3.890 20 30 GHEDLO C=CC1(CC(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)CN(C(=O)OC(C)(C)C)C1 ZINC001292299971 1043671471 /nfs/dbraw/zinc/67/14/71/1043671471.db2.gz WHBBRHIPBXGXTD-UHFFFAOYSA-N 1 2 382.464 3.828 20 30 GHEDLO CCOC(=O)C1(C#N)CC[NH+]([C@@H](C)Cc2ccccc2Br)CC1 ZINC001256848396 1043699270 /nfs/dbraw/zinc/69/92/70/1043699270.db2.gz SPNLQLJIBCTUQH-AWEZNQCLSA-N 1 2 379.298 3.549 20 30 GHEDLO CCN(CC)c1ccc(Cn2c(CC(C)(C)C)nnc2N(C)C[C@@H](C)C#N)c[nH+]1 ZINC001295418204 1045004719 /nfs/dbraw/zinc/00/47/19/1045004719.db2.gz BWEXQWYGKFYAOF-KRWDZBQOSA-N 1 2 397.571 3.752 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCc2cc(Cl)ccc2C1 ZINC001263024540 1046511745 /nfs/dbraw/zinc/51/17/45/1046511745.db2.gz ACBDXKMNYYKTLJ-UHFFFAOYSA-N 1 2 398.942 3.607 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@@H](CC(F)(F)F)C1 ZINC001263024881 1046512116 /nfs/dbraw/zinc/51/21/16/1046512116.db2.gz MPPVJMVQPQIZIW-HNNXBMFYSA-N 1 2 398.477 3.560 20 30 GHEDLO C=C(C)Cn1c([C@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCC2(CCCC2)C1 ZINC001263343127 1046726001 /nfs/dbraw/zinc/72/60/01/1046726001.db2.gz OPPSPVGBIPARHB-RBUKOAKNSA-N 1 2 385.556 3.551 20 30 GHEDLO C=C(C)Cn1c([C@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCC2(CCCC2)C1 ZINC001263343127 1046726019 /nfs/dbraw/zinc/72/60/19/1046726019.db2.gz OPPSPVGBIPARHB-RBUKOAKNSA-N 1 2 385.556 3.551 20 30 GHEDLO N#C[C@@H](CCc1ccccc1)C(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC001303367820 1047373590 /nfs/dbraw/zinc/37/35/90/1047373590.db2.gz BCBQUANXWDBUFO-HSZRJFAPSA-N 1 2 398.510 3.977 20 30 GHEDLO C=CCN(C)c1nnc(-c2ccccc2F)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001286720803 1048477231 /nfs/dbraw/zinc/47/72/31/1048477231.db2.gz NMYBNYSUKVQFBW-UHFFFAOYSA-N 1 2 394.498 3.996 20 30 GHEDLO C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001286757119 1048510383 /nfs/dbraw/zinc/51/03/83/1048510383.db2.gz GKZSIDWYIZRANS-OALUTQOASA-N 1 2 396.539 3.781 20 30 GHEDLO CC(C)(C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCNc1cccc[nH+]1 ZINC001288975285 1049272668 /nfs/dbraw/zinc/27/26/68/1049272668.db2.gz MDNZXDNLZKIKRK-OAQYLSRUSA-N 1 2 381.528 3.603 20 30 GHEDLO CC[C@@H]1Cc2c(Br)cccc2C[N@@H+]1CC(=O)N(CC)C[C@H](C)C#N ZINC001307725330 1049538728 /nfs/dbraw/zinc/53/87/28/1049538728.db2.gz NUEQYHIFRSUVPI-GDBMZVCRSA-N 1 2 392.341 3.594 20 30 GHEDLO CC[C@@H]1Cc2c(Br)cccc2C[N@H+]1CC(=O)N(CC)C[C@H](C)C#N ZINC001307725330 1049538741 /nfs/dbraw/zinc/53/87/41/1049538741.db2.gz NUEQYHIFRSUVPI-GDBMZVCRSA-N 1 2 392.341 3.594 20 30 GHEDLO C#Cc1ccccc1CC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC001290854020 1049939206 /nfs/dbraw/zinc/93/92/06/1049939206.db2.gz JFAWAMGLNBVFIA-HXUWFJFHSA-N 1 2 384.882 3.956 20 30 GHEDLO COc1ccc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1C(C)(C)C ZINC001308673223 1050055098 /nfs/dbraw/zinc/05/50/98/1050055098.db2.gz WOJOBTVTDMKDMW-WMZOPIPTSA-N 1 2 387.524 3.841 20 30 GHEDLO CCc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(OCC#N)cc3)CC2)s1 ZINC001310035914 1051113414 /nfs/dbraw/zinc/11/34/14/1051113414.db2.gz HWIHUVWZHWLIKV-UHFFFAOYSA-N 1 2 384.505 3.563 20 30 GHEDLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)Nc2cc(C)c(C#N)cn2)CC1 ZINC001311070309 1051823293 /nfs/dbraw/zinc/82/32/93/1051823293.db2.gz LVQRJXDCWUUKRX-IBGZPJMESA-N 1 2 381.455 3.702 20 30 GHEDLO C#CCCCNC(=O)N1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC001312647316 1052824741 /nfs/dbraw/zinc/82/47/41/1052824741.db2.gz LXAFKNRXFYIDQA-UHFFFAOYSA-N 1 2 391.515 3.506 20 30 GHEDLO C[C@H]1CC[C@@](C)(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1(C)C ZINC001312984041 1052926666 /nfs/dbraw/zinc/92/66/66/1052926666.db2.gz WFWQZQSOESTYJP-MBSDFSHPSA-N 1 2 382.552 3.848 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC[C@H]1[C@H]1CCCO1 ZINC001342299672 1053085660 /nfs/dbraw/zinc/08/56/60/1053085660.db2.gz QSRGKWGBEDSAGZ-SESVDKBCSA-N 1 2 395.551 3.805 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC[C@H]1[C@H]1CCCO1 ZINC001342299672 1053085678 /nfs/dbraw/zinc/08/56/78/1053085678.db2.gz QSRGKWGBEDSAGZ-SESVDKBCSA-N 1 2 395.551 3.805 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCc2ccccc2[C@@H]1C ZINC001342306305 1053094034 /nfs/dbraw/zinc/09/40/34/1053094034.db2.gz NQFSOVJRRXMNBF-SFHVURJKSA-N 1 2 390.535 3.681 20 30 GHEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1Cc2ccccc2[C@H]1C ZINC001342343445 1053118503 /nfs/dbraw/zinc/11/85/03/1053118503.db2.gz KPGPYTCXFQNBDT-LMNJBCLMSA-N 1 2 393.535 3.861 20 30 GHEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1Cc2ccccc2[C@H]1C ZINC001342343445 1053118509 /nfs/dbraw/zinc/11/85/09/1053118509.db2.gz KPGPYTCXFQNBDT-LMNJBCLMSA-N 1 2 393.535 3.861 20 30 GHEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCC2(CCSCC2)CC1 ZINC001343297318 1053685902 /nfs/dbraw/zinc/68/59/02/1053685902.db2.gz CZSJODNVSLKNES-UHFFFAOYSA-N 1 2 375.586 3.564 20 30 GHEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@@H]1c1ccc(C)cc1 ZINC001343314920 1053698123 /nfs/dbraw/zinc/69/81/23/1053698123.db2.gz LHLOHUNCDUBQIW-LJQANCHMSA-N 1 2 376.508 3.828 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC[C@@H]1c1ccc(COC)o1 ZINC001343456541 1053782221 /nfs/dbraw/zinc/78/22/21/1053782221.db2.gz GUGWSSQMZWQJKB-MSOLQXFVSA-N 1 2 385.512 3.702 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC[C@@H]1c1ccc(COC)o1 ZINC001343456541 1053782232 /nfs/dbraw/zinc/78/22/32/1053782232.db2.gz GUGWSSQMZWQJKB-MSOLQXFVSA-N 1 2 385.512 3.702 20 30 GHEDLO CC(C)[N@@H+]1CCC[C@H]1C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC001343495535 1053811232 /nfs/dbraw/zinc/81/12/32/1053811232.db2.gz PMQRIOPXMKIEFT-CABCVRRESA-N 1 2 381.448 3.521 20 30 GHEDLO CC(C)[N@H+]1CCC[C@H]1C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC001343495535 1053811237 /nfs/dbraw/zinc/81/12/37/1053811237.db2.gz PMQRIOPXMKIEFT-CABCVRRESA-N 1 2 381.448 3.521 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2Cc2ccccc2)nnc1N1CCC[C@@H](C#N)C1 ZINC001343765551 1054008306 /nfs/dbraw/zinc/00/83/06/1054008306.db2.gz PNUIJAFILRVABV-LEWJYISDSA-N 1 2 390.535 3.931 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2Cc2ccccc2)nnc1N1CCC[C@@H](C#N)C1 ZINC001343765551 1054008320 /nfs/dbraw/zinc/00/83/20/1054008320.db2.gz PNUIJAFILRVABV-LEWJYISDSA-N 1 2 390.535 3.931 20 30 GHEDLO C#CC[C@@H]1CCCN(c2nnc([C@H]3CCCC[N@H+]3C)n2Cc2cccs2)C1 ZINC001344787739 1054742903 /nfs/dbraw/zinc/74/29/03/1054742903.db2.gz YBJWCYJZSBCFAD-IEBWSBKVSA-N 1 2 383.565 3.784 20 30 GHEDLO C#CC[C@@H]1CCCN(c2nnc([C@H]3CCCC[N@@H+]3C)n2Cc2cccs2)C1 ZINC001344787739 1054742916 /nfs/dbraw/zinc/74/29/16/1054742916.db2.gz YBJWCYJZSBCFAD-IEBWSBKVSA-N 1 2 383.565 3.784 20 30 GHEDLO C[C@@H](c1cccc(NC(=O)Nc2ccc(OCC#N)cc2)c1)[NH+]1CCOCC1 ZINC001321805993 1056402705 /nfs/dbraw/zinc/40/27/05/1056402705.db2.gz BOFRPKSJEYKVST-INIZCTEOSA-N 1 2 380.448 3.626 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](CN3C[C@H](c4ccccc4)CC3=O)CC2)c(F)c1 ZINC001325859141 1057374684 /nfs/dbraw/zinc/37/46/84/1057374684.db2.gz CPWOJRMJAJFYLO-LJQANCHMSA-N 1 2 393.462 3.514 20 30 GHEDLO CCC[N@H+](CC)Cc1ccc(C(O)=C(C#N)c2nc(N)c3ccccc3n2)cc1 ZINC001356088782 1057384584 /nfs/dbraw/zinc/38/45/84/1057384584.db2.gz UGLPEURNVKBXAL-LJQANCHMSA-N 1 2 387.487 3.934 20 30 GHEDLO CCC[N@@H+](CC)Cc1ccc(C(O)=C(C#N)c2nc(N)c3ccccc3n2)cc1 ZINC001356088782 1057384588 /nfs/dbraw/zinc/38/45/88/1057384588.db2.gz UGLPEURNVKBXAL-LJQANCHMSA-N 1 2 387.487 3.934 20 30 GHEDLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1csc(C#N)c1 ZINC001326814589 1057562501 /nfs/dbraw/zinc/56/25/01/1057562501.db2.gz KRPHBJVGQNMBGH-YWZLYKJASA-N 1 2 382.533 3.696 20 30 GHEDLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1csc(C#N)c1 ZINC001326814589 1057562510 /nfs/dbraw/zinc/56/25/10/1057562510.db2.gz KRPHBJVGQNMBGH-YWZLYKJASA-N 1 2 382.533 3.696 20 30 GHEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1C[C@@H]2CC[C@H]1c1ccccc12 ZINC001338693162 1058735185 /nfs/dbraw/zinc/73/51/85/1058735185.db2.gz KPXSZAGMQGYJHY-DZFGPLHGSA-N 1 2 393.535 3.685 20 30 GHEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1C[C@@H]2CC[C@H]1c1ccccc12 ZINC001338693162 1058735205 /nfs/dbraw/zinc/73/52/05/1058735205.db2.gz KPXSZAGMQGYJHY-DZFGPLHGSA-N 1 2 393.535 3.685 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC(c2ncc(C)s2)CC1 ZINC001338749316 1058762611 /nfs/dbraw/zinc/76/26/11/1058762611.db2.gz MJDFYJKYUTZZMF-KRWDZBQOSA-N 1 2 386.569 3.770 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC(c2ncc(C)s2)CC1 ZINC001338749316 1058762625 /nfs/dbraw/zinc/76/26/25/1058762625.db2.gz MJDFYJKYUTZZMF-KRWDZBQOSA-N 1 2 386.569 3.770 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)[C@@H](C)c1ccccc1F ZINC001339369178 1059149737 /nfs/dbraw/zinc/14/97/37/1059149737.db2.gz XRYNGVIQDRDUKM-INIZCTEOSA-N 1 2 384.503 3.728 20 30 GHEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)[C@H](C)c1cccs1 ZINC001339484393 1059246797 /nfs/dbraw/zinc/24/67/97/1059246797.db2.gz GALWEGBEDJDUBY-CVEARBPZSA-N 1 2 375.542 3.505 20 30 GHEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)[C@H](C)c1cccs1 ZINC001339484393 1059246811 /nfs/dbraw/zinc/24/68/11/1059246811.db2.gz GALWEGBEDJDUBY-CVEARBPZSA-N 1 2 375.542 3.505 20 30 GHEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@@H]1/C=C\c1ccccc1 ZINC001339630463 1059357833 /nfs/dbraw/zinc/35/78/33/1059357833.db2.gz ZAKSRSMZESBYEJ-KUFMOJEASA-N 1 2 390.535 3.590 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC[C@@H](c2ccco2)C1 ZINC001339796827 1059480135 /nfs/dbraw/zinc/48/01/35/1059480135.db2.gz YBMRJHRKZJKMRS-QZTJIDSGSA-N 1 2 380.496 3.883 20 30 GHEDLO N#Cc1c(F)cc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)cc1F ZINC001448187788 1060131069 /nfs/dbraw/zinc/13/10/69/1060131069.db2.gz QAYIOEDEQSFFEC-LJQANCHMSA-N 1 2 389.833 3.771 20 30 GHEDLO N#Cc1c(F)cc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)cc1F ZINC001448187788 1060131082 /nfs/dbraw/zinc/13/10/82/1060131082.db2.gz QAYIOEDEQSFFEC-LJQANCHMSA-N 1 2 389.833 3.771 20 30 GHEDLO CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1Cc2ccc(C#N)cc2C1 ZINC001341034481 1060345423 /nfs/dbraw/zinc/34/54/23/1060345423.db2.gz AZCNZFOMRFFTOL-KRWDZBQOSA-N 1 2 386.503 3.883 20 30 GHEDLO CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1Cc2ccc(C#N)cc2C1 ZINC001341034481 1060345444 /nfs/dbraw/zinc/34/54/44/1060345444.db2.gz AZCNZFOMRFFTOL-KRWDZBQOSA-N 1 2 386.503 3.883 20 30 GHEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N(C)[C@H](C)c1cccs1 ZINC001342013079 1060996141 /nfs/dbraw/zinc/99/61/41/1060996141.db2.gz RRJNXHMHTIDXIW-IKGGRYGDSA-N 1 2 387.553 3.649 20 30 GHEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N(C)[C@H](C)c1cccs1 ZINC001342013079 1060996153 /nfs/dbraw/zinc/99/61/53/1060996153.db2.gz RRJNXHMHTIDXIW-IKGGRYGDSA-N 1 2 387.553 3.649 20 30 GHEDLO C=CCO[C@H]1CC[N@@H+](Cc2csc(CC(=O)Nc3cc(C)ccc3C)n2)C1 ZINC001342229659 1061158192 /nfs/dbraw/zinc/15/81/92/1061158192.db2.gz WQCVLEYKQDZWBN-SFHVURJKSA-N 1 2 385.533 3.718 20 30 GHEDLO C=CCO[C@H]1CC[N@H+](Cc2csc(CC(=O)Nc3cc(C)ccc3C)n2)C1 ZINC001342229659 1061158203 /nfs/dbraw/zinc/15/82/03/1061158203.db2.gz WQCVLEYKQDZWBN-SFHVURJKSA-N 1 2 385.533 3.718 20 30 GHEDLO Cc1cccn2cc(CC(=O)Nc3ccc(Br)c(C#N)c3C)[nH+]c12 ZINC001436939735 1063714512 /nfs/dbraw/zinc/71/45/12/1063714512.db2.gz WSXFKXJMNWYNBS-UHFFFAOYSA-N 1 2 383.249 3.767 20 30 GHEDLO CC[C@H](C)[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)C(=O)OC(C)(C)C ZINC001459825728 1064234021 /nfs/dbraw/zinc/23/40/21/1064234021.db2.gz NHDYEBAWEPVFOO-UGSOOPFHSA-N 1 2 393.915 3.886 20 30 GHEDLO C[C@@H]1CN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CC2CC2)[C@H]2CCCC[C@H]12 ZINC001351500126 1064484496 /nfs/dbraw/zinc/48/44/96/1064484496.db2.gz FEJFDZIQEHIABH-UIFIKXQLSA-N 1 2 396.583 3.796 20 30 GHEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC001464049851 1064788750 /nfs/dbraw/zinc/78/87/50/1064788750.db2.gz SGPIWFTXXKSLHY-UHFFFAOYSA-N 1 2 387.487 3.919 20 30 GHEDLO N#Cc1cccc(Oc2ccc(NC(=O)c3cc(-n4cc[nH+]c4)ccc3O)cn2)c1 ZINC001464096805 1064820732 /nfs/dbraw/zinc/82/07/32/1064820732.db2.gz RUVQQWIDLIAKCW-UHFFFAOYSA-N 1 2 397.394 3.889 20 30 GHEDLO Cc1nc(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)sc1SCC#N ZINC001464753749 1065192503 /nfs/dbraw/zinc/19/25/03/1065192503.db2.gz WZTSJKKCJOKVTQ-CQSZACIVSA-N 1 2 383.502 3.951 20 30 GHEDLO C#C[C@@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001300276450 1065907825 /nfs/dbraw/zinc/90/78/25/1065907825.db2.gz MWVWTKZECPTKFI-OAHLLOKOSA-N 1 2 394.910 3.566 20 30 GHEDLO C[N@@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccccc1 ZINC001357660703 1067219329 /nfs/dbraw/zinc/21/93/29/1067219329.db2.gz RAZBXULRVJZQLH-DENIHFKCSA-N 1 2 378.524 3.613 20 30 GHEDLO C[N@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccccc1 ZINC001357660703 1067219336 /nfs/dbraw/zinc/21/93/36/1067219336.db2.gz RAZBXULRVJZQLH-DENIHFKCSA-N 1 2 378.524 3.613 20 30 GHEDLO C=C[C@@](C)(O)CC(=O)N1CC[N@@H+](Cc2ccc(Cl)cc2)C[C@@H]1CC(C)C ZINC001468462800 1067739817 /nfs/dbraw/zinc/73/98/17/1067739817.db2.gz RXMSJLCWTANXIP-PZJWPPBQSA-N 1 2 378.944 3.726 20 30 GHEDLO C=C[C@@](C)(O)CC(=O)N1CC[N@H+](Cc2ccc(Cl)cc2)C[C@@H]1CC(C)C ZINC001468462800 1067739819 /nfs/dbraw/zinc/73/98/19/1067739819.db2.gz RXMSJLCWTANXIP-PZJWPPBQSA-N 1 2 378.944 3.726 20 30 GHEDLO C#CC[C@H]1CCCN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC001468759126 1067864481 /nfs/dbraw/zinc/86/44/81/1067864481.db2.gz NAFRMPGDFZRLLT-LPHOPBHVSA-N 1 2 391.918 3.888 20 30 GHEDLO C#CC[C@H]1CCCN(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC001468759126 1067864496 /nfs/dbraw/zinc/86/44/96/1067864496.db2.gz NAFRMPGDFZRLLT-LPHOPBHVSA-N 1 2 391.918 3.888 20 30 GHEDLO N#CCCC[C@H]([NH2+]Cc1nc(N)nc(Nc2ccc(F)cc2)n1)c1ccccc1 ZINC001460171569 1068831423 /nfs/dbraw/zinc/83/14/23/1068831423.db2.gz OJNUCBJGTUTSKJ-SFHVURJKSA-N 1 2 391.454 3.861 20 30 GHEDLO C=C(CNC(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC001470419058 1072542480 /nfs/dbraw/zinc/54/24/80/1072542480.db2.gz ABLPFXMAJSUOMJ-UHFFFAOYSA-N 1 2 399.922 3.759 20 30 GHEDLO C#CCOc1ccc(CNC(=O)N2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)cc1 ZINC001478685875 1078955842 /nfs/dbraw/zinc/95/58/42/1078955842.db2.gz NDNQJPKAFSOFES-LJQANCHMSA-N 1 2 394.519 3.739 20 30 GHEDLO N#Cc1ccc(CNC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)s1 ZINC001478848822 1079003035 /nfs/dbraw/zinc/00/30/35/1079003035.db2.gz JNRDAKSITJHQQD-UHFFFAOYSA-N 1 2 399.907 3.882 20 30 GHEDLO C#C[C@@H](NC(=O)N1CCC(Nc2cccc[nH+]2)CC1)c1ccc(Cl)cc1F ZINC001478901685 1079021564 /nfs/dbraw/zinc/02/15/64/1079021564.db2.gz UZBBYTRFSZCHAQ-GOSISDBHSA-N 1 2 386.858 3.835 20 30 GHEDLO C#CC[N@@H+](Cc1ccc(OC)nc1)[C@@H]1CCOc2ccc(Br)cc21 ZINC001473169255 1073828816 /nfs/dbraw/zinc/82/88/16/1073828816.db2.gz WBOYPOJZNPVXTG-QGZVFWFLSA-N 1 2 387.277 3.812 20 30 GHEDLO C#CC[N@H+](Cc1ccc(OC)nc1)[C@@H]1CCOc2ccc(Br)cc21 ZINC001473169255 1073828830 /nfs/dbraw/zinc/82/88/30/1073828830.db2.gz WBOYPOJZNPVXTG-QGZVFWFLSA-N 1 2 387.277 3.812 20 30 GHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC001473188876 1073843561 /nfs/dbraw/zinc/84/35/61/1073843561.db2.gz KODIDQBNGWXYPP-HRAATJIYSA-N 1 2 397.906 3.805 20 30 GHEDLO C#CC[N@@H+](CC(=O)NCC1(c2ccc(F)cc2)CCCC1)Cc1ccccc1 ZINC001473453737 1073971530 /nfs/dbraw/zinc/97/15/30/1073971530.db2.gz IYIMILIHUOUTNM-UHFFFAOYSA-N 1 2 378.491 3.889 20 30 GHEDLO C#CC[N@H+](CC(=O)NCC1(c2ccc(F)cc2)CCCC1)Cc1ccccc1 ZINC001473453737 1073971534 /nfs/dbraw/zinc/97/15/34/1073971534.db2.gz IYIMILIHUOUTNM-UHFFFAOYSA-N 1 2 378.491 3.889 20 30 GHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCCC[C@]23CCOC3)c1C#N ZINC001473895646 1074194383 /nfs/dbraw/zinc/19/43/83/1074194383.db2.gz QVUJDBLIZHFMFI-HSZRJFAPSA-N 1 2 392.503 3.549 20 30 GHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CCCC[C@]23CCOC3)c1C#N ZINC001473895646 1074194387 /nfs/dbraw/zinc/19/43/87/1074194387.db2.gz QVUJDBLIZHFMFI-HSZRJFAPSA-N 1 2 392.503 3.549 20 30 GHEDLO Cc1cc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)ccc1C(F)(F)F ZINC001474424766 1074401205 /nfs/dbraw/zinc/40/12/05/1074401205.db2.gz PORCFBAKCLBQCZ-ZBFHGGJFSA-N 1 2 383.414 3.863 20 30 GHEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1nc(-c2cccs2)nc2ccccc21 ZINC000414099645 837534990 /nfs/dbraw/zinc/53/49/90/837534990.db2.gz QPADCVXAUJBSAY-CQSZACIVSA-N 1 2 384.530 3.657 20 30 GHEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1nc(-c2cccs2)nc2ccccc21 ZINC000414099645 837534994 /nfs/dbraw/zinc/53/49/94/837534994.db2.gz QPADCVXAUJBSAY-CQSZACIVSA-N 1 2 384.530 3.657 20 30 GHEDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000376486265 837536148 /nfs/dbraw/zinc/53/61/48/837536148.db2.gz QWHMSLXVYYTMPX-QGZVFWFLSA-N 1 2 389.434 3.861 20 30 GHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](C)[C@@H](C)c2cccnc2)c1C#N ZINC000180802713 837563379 /nfs/dbraw/zinc/56/33/79/837563379.db2.gz BYHAMPXEGPBXMR-SFHVURJKSA-N 1 2 387.487 3.992 20 30 GHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](C)[C@@H](C)c2cccnc2)c1C#N ZINC000180802713 837563385 /nfs/dbraw/zinc/56/33/85/837563385.db2.gz BYHAMPXEGPBXMR-SFHVURJKSA-N 1 2 387.487 3.992 20 30 GHEDLO N#Cc1cccc(OCC[N@@H+]2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)c1 ZINC000583523104 834563275 /nfs/dbraw/zinc/56/32/75/834563275.db2.gz MKXJCLRVMZCSPE-IBGZPJMESA-N 1 2 392.377 3.909 20 30 GHEDLO N#Cc1cccc(OCC[N@H+]2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)c1 ZINC000583523104 834563282 /nfs/dbraw/zinc/56/32/82/834563282.db2.gz MKXJCLRVMZCSPE-IBGZPJMESA-N 1 2 392.377 3.909 20 30 GHEDLO O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329823221 834675725 /nfs/dbraw/zinc/67/57/25/834675725.db2.gz ZKCCKKQKMSNUFN-ZWNOBZJWSA-N 1 2 381.263 3.944 20 30 GHEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1Br ZINC000181039937 837801434 /nfs/dbraw/zinc/80/14/34/837801434.db2.gz PMHHGAGIBDFIOW-UHFFFAOYSA-N 1 2 384.277 3.841 20 30 GHEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1Br ZINC000181039937 837801446 /nfs/dbraw/zinc/80/14/46/837801446.db2.gz PMHHGAGIBDFIOW-UHFFFAOYSA-N 1 2 384.277 3.841 20 30 GHEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3c(F)cccc3OC(F)(F)F)C2)nc1 ZINC000430189665 834900322 /nfs/dbraw/zinc/90/03/22/834900322.db2.gz YGCSQJMKUWXODS-CYBMUJFWSA-N 1 2 381.329 3.644 20 30 GHEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3c(F)cccc3OC(F)(F)F)C2)nc1 ZINC000430189665 834900331 /nfs/dbraw/zinc/90/03/31/834900331.db2.gz YGCSQJMKUWXODS-CYBMUJFWSA-N 1 2 381.329 3.644 20 30 GHEDLO C=CC[NH+](CC=C)CC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000302806155 834986642 /nfs/dbraw/zinc/98/66/42/834986642.db2.gz DPDVGSFUIAANMZ-UHFFFAOYSA-N 1 2 384.501 3.727 20 30 GHEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)c2nccc(C)c2C#N)cc1 ZINC000544068831 834996498 /nfs/dbraw/zinc/99/64/98/834996498.db2.gz AEJOPKDEEIGPBJ-UHFFFAOYSA-N 1 2 375.476 3.954 20 30 GHEDLO O=C(NC1(c2noc([C@@H]3CCCO3)n2)CCCCCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000329453204 835068607 /nfs/dbraw/zinc/06/86/07/835068607.db2.gz NPCCGILNXWEACR-RDJZCZTQSA-N 1 2 399.495 3.886 20 30 GHEDLO C#CCOc1ccccc1NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000187104688 835078585 /nfs/dbraw/zinc/07/85/85/835078585.db2.gz CVRJOLGKUVXZHG-UHFFFAOYSA-N 1 2 376.416 3.618 20 30 GHEDLO N#CCCn1cc(C(=O)C[NH+]2CCC(Oc3ccccn3)CC2)c2ccccc21 ZINC000471156696 835188183 /nfs/dbraw/zinc/18/81/83/835188183.db2.gz MFMZOFQYGQADLP-UHFFFAOYSA-N 1 2 388.471 3.676 20 30 GHEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1O ZINC000471179672 835476914 /nfs/dbraw/zinc/47/69/14/835476914.db2.gz YMJVLRAILYACGP-HNNXBMFYSA-N 1 2 399.516 3.723 20 30 GHEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1O ZINC000471179672 835476916 /nfs/dbraw/zinc/47/69/16/835476916.db2.gz YMJVLRAILYACGP-HNNXBMFYSA-N 1 2 399.516 3.723 20 30 GHEDLO CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1ccc(C#N)cc1OC ZINC000179654993 835934080 /nfs/dbraw/zinc/93/40/80/835934080.db2.gz DWLUBWFEAQHEBH-UHFFFAOYSA-N 1 2 391.393 3.835 20 30 GHEDLO CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1ccc(C#N)cc1OC ZINC000179654993 835934087 /nfs/dbraw/zinc/93/40/87/835934087.db2.gz DWLUBWFEAQHEBH-UHFFFAOYSA-N 1 2 391.393 3.835 20 30 GHEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1 ZINC000584478323 836202565 /nfs/dbraw/zinc/20/25/65/836202565.db2.gz PAIZEFURKMQAGV-FUHWJXTLSA-N 1 2 390.443 3.985 20 30 GHEDLO N#Cc1ccccc1Oc1ccc(NC(=O)NCCCn2cc[nH+]c2)cc1F ZINC000174497720 836472299 /nfs/dbraw/zinc/47/22/99/836472299.db2.gz SMKMMTICLPKDPG-UHFFFAOYSA-N 1 2 379.395 3.898 20 30 GHEDLO C#CC[N@@H+](CC(=O)Nc1ccc2c(c1)OC(F)(F)O2)[C@H]1CCc2ccccc21 ZINC001167178435 836814449 /nfs/dbraw/zinc/81/44/49/836814449.db2.gz ABUIYWMFOPBOPX-KRWDZBQOSA-N 1 2 384.382 3.569 20 30 GHEDLO C#CC[N@H+](CC(=O)Nc1ccc2c(c1)OC(F)(F)O2)[C@H]1CCc2ccccc21 ZINC001167178435 836814458 /nfs/dbraw/zinc/81/44/58/836814458.db2.gz ABUIYWMFOPBOPX-KRWDZBQOSA-N 1 2 384.382 3.569 20 30 GHEDLO Cc1cc2cccnc2c(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000510230472 836869971 /nfs/dbraw/zinc/86/99/71/836869971.db2.gz UIDPUDHTRNYJDU-UHFFFAOYSA-N 1 2 385.471 3.765 20 30 GHEDLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1sccc1CC#N ZINC001266435651 836905439 /nfs/dbraw/zinc/90/54/39/836905439.db2.gz NAOCDSFMWUEHIC-OXQOHEQNSA-N 1 2 396.560 3.890 20 30 GHEDLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1sccc1CC#N ZINC001266435651 836905451 /nfs/dbraw/zinc/90/54/51/836905451.db2.gz NAOCDSFMWUEHIC-OXQOHEQNSA-N 1 2 396.560 3.890 20 30 GHEDLO Cc1sc(NC(=O)C[NH+]2CCC(N(C)c3ccccc3)CC2)c(C#N)c1C ZINC000177058780 837847490 /nfs/dbraw/zinc/84/74/90/837847490.db2.gz PSTYBXQTMUVSDB-UHFFFAOYSA-N 1 2 382.533 3.776 20 30 GHEDLO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000377745888 837895496 /nfs/dbraw/zinc/89/54/96/837895496.db2.gz OCLFEZISAYBMOM-UHFFFAOYSA-N 1 2 387.443 3.690 20 30 GHEDLO C#CCOc1ccc(F)cc1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000783059660 837962018 /nfs/dbraw/zinc/96/20/18/837962018.db2.gz AYLXZGSFMDHULL-UHFFFAOYSA-N 1 2 384.455 3.759 20 30 GHEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000187851774 838358334 /nfs/dbraw/zinc/35/83/34/838358334.db2.gz STLJSWLGYZROKZ-UHFFFAOYSA-N 1 2 380.492 3.537 20 30 GHEDLO COc1cc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)ccc1OC(F)F ZINC000178868042 838483357 /nfs/dbraw/zinc/48/33/57/838483357.db2.gz SYHBHYHAKSGDJO-SFHVURJKSA-N 1 2 387.430 3.679 20 30 GHEDLO Cc1cccc(-c2nnc([C@@H](C)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)o2)c1 ZINC000049971258 838950140 /nfs/dbraw/zinc/95/01/40/838950140.db2.gz RIFSDFVZRSWSDL-GOSISDBHSA-N 1 2 387.487 3.796 20 30 GHEDLO N#CC1(c2ccccc2)CCC([NH2+]Cc2nnc(COc3ccccc3)[nH]2)CC1 ZINC000471578437 839582011 /nfs/dbraw/zinc/58/20/11/839582011.db2.gz QRPLSPIGAQDYDZ-UHFFFAOYSA-N 1 2 387.487 3.877 20 30 GHEDLO CC(C)(C)C(=O)N1CC[NH+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000128335275 839736930 /nfs/dbraw/zinc/73/69/30/839736930.db2.gz VWBKOKSWYGKUAI-UHFFFAOYSA-N 1 2 391.515 3.828 20 30 GHEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC000430509106 840129818 /nfs/dbraw/zinc/12/98/18/840129818.db2.gz WPPCJFBWUJFBKF-UHFFFAOYSA-N 1 2 399.564 3.668 20 30 GHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000512552948 844508649 /nfs/dbraw/zinc/50/86/49/844508649.db2.gz WLQICQLFISOXOQ-OAQYLSRUSA-N 1 2 377.492 3.519 20 30 GHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000512552948 844508655 /nfs/dbraw/zinc/50/86/55/844508655.db2.gz WLQICQLFISOXOQ-OAQYLSRUSA-N 1 2 377.492 3.519 20 30 GHEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)N[C@H](CCCC#N)c2ccccc2)C1 ZINC000458808636 840283780 /nfs/dbraw/zinc/28/37/80/840283780.db2.gz ZGPMDHCAJGBJNC-UYAOXDASSA-N 1 2 379.508 3.819 20 30 GHEDLO O=C(NCc1nc2c(s1)CCCC2)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000329568991 841387498 /nfs/dbraw/zinc/38/74/98/841387498.db2.gz PRDQHGUPKZMNHD-HXUWFJFHSA-N 1 2 385.533 3.676 20 30 GHEDLO C=CCNC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(OC)c1OCc1ccccc1F ZINC000558735318 841646191 /nfs/dbraw/zinc/64/61/91/841646191.db2.gz FJQIXJSPSSYFBA-MRXNPFEDSA-N 1 2 386.467 3.536 20 30 GHEDLO C=CCNC(=O)[C@@H](C)[N@H+](C)Cc1cccc(OC)c1OCc1ccccc1F ZINC000558735318 841646197 /nfs/dbraw/zinc/64/61/97/841646197.db2.gz FJQIXJSPSSYFBA-MRXNPFEDSA-N 1 2 386.467 3.536 20 30 GHEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3Cc4ccc(O)cc4C3)sc2C1 ZINC000599535955 861300761 /nfs/dbraw/zinc/30/07/61/861300761.db2.gz AYGLTBWMQLFKFK-CYBMUJFWSA-N 1 2 381.501 3.795 20 30 GHEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3Cc4ccc(O)cc4C3)sc2C1 ZINC000599535955 861300780 /nfs/dbraw/zinc/30/07/80/861300780.db2.gz AYGLTBWMQLFKFK-CYBMUJFWSA-N 1 2 381.501 3.795 20 30 GHEDLO CC[C@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1nnc2n1CCCCC2 ZINC000661939086 842377125 /nfs/dbraw/zinc/37/71/25/842377125.db2.gz HVADESRUJIQLIZ-KRWDZBQOSA-N 1 2 392.425 3.996 20 30 GHEDLO CC(C)c1nc([C@@H]2CCC[N@H+](CC(=O)N[C@@H]3CCOc4ccccc43)C2)no1 ZINC000328837004 842413500 /nfs/dbraw/zinc/41/35/00/842413500.db2.gz NAWJLEIGXCKWNE-NVXWUHKLSA-N 1 2 384.480 3.853 20 30 GHEDLO CC(C)c1nc([C@@H]2CCC[N@@H+](CC(=O)N[C@@H]3CCOc4ccccc43)C2)no1 ZINC000328837004 842413506 /nfs/dbraw/zinc/41/35/06/842413506.db2.gz NAWJLEIGXCKWNE-NVXWUHKLSA-N 1 2 384.480 3.853 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)c2c(C)cc(C)[nH]c2=O)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000329349337 861312877 /nfs/dbraw/zinc/31/28/77/861312877.db2.gz WKPBHNUZLBPTOM-MAUKXSAKSA-N 1 2 393.409 3.961 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)c2c(C)cc(C)[nH]c2=O)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000329349337 861312899 /nfs/dbraw/zinc/31/28/99/861312899.db2.gz WKPBHNUZLBPTOM-MAUKXSAKSA-N 1 2 393.409 3.961 20 30 GHEDLO O=C(N[C@@]12CC[C@@]([NH2+]CCCC(F)(F)F)(C1)CCC2)C(F)(F)C(F)F ZINC001273097107 861349383 /nfs/dbraw/zinc/34/93/83/861349383.db2.gz ZFBJYIZTJWZFOF-OLZOCXBDSA-N 1 2 378.332 3.781 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000512224222 843150631 /nfs/dbraw/zinc/15/06/31/843150631.db2.gz AGCYERGQNCSGBX-QFBILLFUSA-N 1 2 388.533 3.964 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000512224222 843150654 /nfs/dbraw/zinc/15/06/54/843150654.db2.gz AGCYERGQNCSGBX-QFBILLFUSA-N 1 2 388.533 3.964 20 30 GHEDLO Cc1[nH+]cc(CN2CCN(c3ccc(C#N)cc3F)CC2)n1-c1ccccc1 ZINC000512247103 843210977 /nfs/dbraw/zinc/21/09/77/843210977.db2.gz WJJIVPWMQQZKTE-UHFFFAOYSA-N 1 2 375.451 3.514 20 30 GHEDLO C=C(C)COc1cc(CN2CC[NH+](Cc3c(C)noc3C)CC2)ccc1OC ZINC000091891347 843460815 /nfs/dbraw/zinc/46/08/15/843460815.db2.gz UGHNDIYHPIUVKD-UHFFFAOYSA-N 1 2 385.508 3.573 20 30 GHEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@@H]2c2ccccc2Br)CCCCC1 ZINC000610676200 843507109 /nfs/dbraw/zinc/50/71/09/843507109.db2.gz DYSJISFJNIUQFR-QGZVFWFLSA-N 1 2 390.325 3.929 20 30 GHEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2Br)CCCCC1 ZINC000610676200 843507116 /nfs/dbraw/zinc/50/71/16/843507116.db2.gz DYSJISFJNIUQFR-QGZVFWFLSA-N 1 2 390.325 3.929 20 30 GHEDLO C#CCOc1ccc(F)cc1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278884907 843518239 /nfs/dbraw/zinc/51/82/39/843518239.db2.gz SSHHVJARHFGSQI-UHFFFAOYSA-N 1 2 396.466 3.782 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](Cc3nc(-c4ccccc4F)no3)CC2)c(F)c1 ZINC000512844192 843877501 /nfs/dbraw/zinc/87/75/01/843877501.db2.gz LUQSCTRSUHLPFU-UHFFFAOYSA-N 1 2 396.397 3.930 20 30 GHEDLO Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000429828667 843914146 /nfs/dbraw/zinc/91/41/46/843914146.db2.gz KOTCNLIJPFAAOQ-KRWDZBQOSA-N 1 2 385.533 3.558 20 30 GHEDLO CCOc1ccc(NC(=O)C[N@@H+]2CCc3c(CC#N)cccc3C2)cc1OCC ZINC000599675425 861473552 /nfs/dbraw/zinc/47/35/52/861473552.db2.gz LDZUVFLNVIDEMI-UHFFFAOYSA-N 1 2 393.487 3.547 20 30 GHEDLO CCOc1ccc(NC(=O)C[N@H+]2CCc3c(CC#N)cccc3C2)cc1OCC ZINC000599675425 861473557 /nfs/dbraw/zinc/47/35/57/861473557.db2.gz LDZUVFLNVIDEMI-UHFFFAOYSA-N 1 2 393.487 3.547 20 30 GHEDLO Cc1nccc([C@@H]2CCC[N@@H+](CC(=O)/C=C3\N(C)c4ccccc4C3(C)C)C2)n1 ZINC000728916870 843947488 /nfs/dbraw/zinc/94/74/88/843947488.db2.gz RPDVLBRPEUNKTP-NLKUQUHMSA-N 1 2 390.531 3.845 20 30 GHEDLO Cc1nccc([C@@H]2CCC[N@H+](CC(=O)/C=C3\N(C)c4ccccc4C3(C)C)C2)n1 ZINC000728916870 843947493 /nfs/dbraw/zinc/94/74/93/843947493.db2.gz RPDVLBRPEUNKTP-NLKUQUHMSA-N 1 2 390.531 3.845 20 30 GHEDLO C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677025 861474248 /nfs/dbraw/zinc/47/42/48/861474248.db2.gz HBSGGHZFJSJIRQ-ZDUSSCGKSA-N 1 2 394.475 3.887 20 30 GHEDLO C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677025 861474258 /nfs/dbraw/zinc/47/42/58/861474258.db2.gz HBSGGHZFJSJIRQ-ZDUSSCGKSA-N 1 2 394.475 3.887 20 30 GHEDLO CC(C)C[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)c(Cl)c3)c2C1 ZINC000512939199 844008826 /nfs/dbraw/zinc/00/88/26/844008826.db2.gz BHFWOLXWXREADI-UHFFFAOYSA-N 1 2 389.908 3.984 20 30 GHEDLO CC(C)C[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C#N)c(Cl)c3)c2C1 ZINC000512939199 844008833 /nfs/dbraw/zinc/00/88/33/844008833.db2.gz BHFWOLXWXREADI-UHFFFAOYSA-N 1 2 389.908 3.984 20 30 GHEDLO O=C(Nc1cc(Cl)ccc1N1CCSCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329478395 861500073 /nfs/dbraw/zinc/50/00/73/861500073.db2.gz QCQYLEZFBKCWCS-CYBMUJFWSA-N 1 2 376.913 3.940 20 30 GHEDLO Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000329490028 861523138 /nfs/dbraw/zinc/52/31/38/861523138.db2.gz UZNNNCXGFUJYLS-QGZVFWFLSA-N 1 2 399.543 3.670 20 30 GHEDLO Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000329490028 861523150 /nfs/dbraw/zinc/52/31/50/861523150.db2.gz UZNNNCXGFUJYLS-QGZVFWFLSA-N 1 2 399.543 3.670 20 30 GHEDLO Cc1cc(NC(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)n(C(C)(C)C)n1 ZINC000502534856 846173444 /nfs/dbraw/zinc/17/34/44/846173444.db2.gz RTVRFUVVECBKPC-UHFFFAOYSA-N 1 2 377.492 3.546 20 30 GHEDLO Cc1cc(NC(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)n(C(C)(C)C)n1 ZINC000502534856 846173452 /nfs/dbraw/zinc/17/34/52/846173452.db2.gz RTVRFUVVECBKPC-UHFFFAOYSA-N 1 2 377.492 3.546 20 30 GHEDLO O=C(NCC#Cc1ccccc1)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000501034592 846581512 /nfs/dbraw/zinc/58/15/12/846581512.db2.gz CPUQAFFQOWCTGM-HXUWFJFHSA-N 1 2 399.897 3.967 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCc2cc(F)cc(C)c2C1 ZINC000502893453 846586325 /nfs/dbraw/zinc/58/63/25/846586325.db2.gz HERCJSKNMRJWBJ-KRWDZBQOSA-N 1 2 395.478 3.836 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCc2cc(F)cc(C)c2C1 ZINC000502893453 846586334 /nfs/dbraw/zinc/58/63/34/846586334.db2.gz HERCJSKNMRJWBJ-KRWDZBQOSA-N 1 2 395.478 3.836 20 30 GHEDLO Cc1c(C#N)cccc1NC(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC000178545558 846627781 /nfs/dbraw/zinc/62/77/81/846627781.db2.gz GTEUWRDHYNLJMA-GOSISDBHSA-N 1 2 392.503 3.622 20 30 GHEDLO Cc1cc(C)cc([C@H](C)NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000502173208 847556363 /nfs/dbraw/zinc/55/63/63/847556363.db2.gz QFVHKEAJDZMIGR-IBGZPJMESA-N 1 2 376.504 3.764 20 30 GHEDLO N#Cc1c(C#N)c2c(nc1NCc1cccc(-n3cc[nH+]c3)c1)CCCCCC2 ZINC000480022938 848024693 /nfs/dbraw/zinc/02/46/93/848024693.db2.gz WVJZHUZBAFJEBX-UHFFFAOYSA-N 1 2 382.471 3.704 20 30 GHEDLO N#CCCCOc1cccc(C[NH+]2CCN(C(=O)CC3CCCCC3)CC2)c1 ZINC000092787212 848605647 /nfs/dbraw/zinc/60/56/47/848605647.db2.gz KLPNYNPFGGNLER-UHFFFAOYSA-N 1 2 383.536 3.984 20 30 GHEDLO CC[NH+](CC)[C@H](C(=O)OCC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000731906766 861951408 /nfs/dbraw/zinc/95/14/08/861951408.db2.gz AIYULSUKJMNLEX-FQEVSTJZSA-N 1 2 399.878 3.776 20 30 GHEDLO Cc1oc(NC(=O)C[N@@H+](C)Cc2ccc(OC(F)(F)F)cc2)c(C#N)c1C ZINC000046583563 849104555 /nfs/dbraw/zinc/10/45/55/849104555.db2.gz CXFIMBLJYVBMGC-UHFFFAOYSA-N 1 2 381.354 3.737 20 30 GHEDLO Cc1oc(NC(=O)C[N@H+](C)Cc2ccc(OC(F)(F)F)cc2)c(C#N)c1C ZINC000046583563 849104558 /nfs/dbraw/zinc/10/45/58/849104558.db2.gz CXFIMBLJYVBMGC-UHFFFAOYSA-N 1 2 381.354 3.737 20 30 GHEDLO CC(C)Oc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1C#N ZINC000178825749 849371346 /nfs/dbraw/zinc/37/13/46/849371346.db2.gz GYJHUPPSUVMYTC-UHFFFAOYSA-N 1 2 391.387 3.692 20 30 GHEDLO CCCOc1ccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cc1OC ZINC000434983621 849971748 /nfs/dbraw/zinc/97/17/48/849971748.db2.gz SIUVBXPKNGCTNM-OAQYLSRUSA-N 1 2 379.504 3.866 20 30 GHEDLO CCOc1ccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)cc1OCC ZINC000434987280 849973630 /nfs/dbraw/zinc/97/36/30/849973630.db2.gz MGANRSYYXUFYPY-NRFANRHFSA-N 1 2 379.504 3.866 20 30 GHEDLO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000518776853 850083832 /nfs/dbraw/zinc/08/38/32/850083832.db2.gz LMQFJAKSECKSRB-LJQANCHMSA-N 1 2 386.455 3.843 20 30 GHEDLO CC[N@@H+](Cc1ccc(C#N)c(C)c1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000486807098 850130135 /nfs/dbraw/zinc/13/01/35/850130135.db2.gz DLPJPJMLDQFDJZ-UHFFFAOYSA-N 1 2 392.459 3.555 20 30 GHEDLO CC[N@H+](Cc1ccc(C#N)c(C)c1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000486807098 850130141 /nfs/dbraw/zinc/13/01/41/850130141.db2.gz DLPJPJMLDQFDJZ-UHFFFAOYSA-N 1 2 392.459 3.555 20 30 GHEDLO C=CCCc1ccccc1NC(=O)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000505617953 850160583 /nfs/dbraw/zinc/16/05/83/850160583.db2.gz FAZHFRKZNJZHSV-UHFFFAOYSA-N 1 2 394.519 3.659 20 30 GHEDLO Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000435196882 850211963 /nfs/dbraw/zinc/21/19/63/850211963.db2.gz HBNUBHQCEILGGJ-UHFFFAOYSA-N 1 2 380.473 3.744 20 30 GHEDLO COc1ccc(C[N@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1OC ZINC000015298040 850254139 /nfs/dbraw/zinc/25/41/39/850254139.db2.gz YELIJQXAIGLSJW-UHFFFAOYSA-N 1 2 395.503 3.699 20 30 GHEDLO COc1ccc(C[N@@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1OC ZINC000015298040 850254144 /nfs/dbraw/zinc/25/41/44/850254144.db2.gz YELIJQXAIGLSJW-UHFFFAOYSA-N 1 2 395.503 3.699 20 30 GHEDLO N#CCCCOc1cccc(C[N@H+]2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)c1 ZINC000425347373 850375202 /nfs/dbraw/zinc/37/52/02/850375202.db2.gz HRWLEAFTTMBKBS-KDURUIRLSA-N 1 2 386.398 3.672 20 30 GHEDLO N#CCCCOc1cccc(C[N@@H+]2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)c1 ZINC000425347373 850375214 /nfs/dbraw/zinc/37/52/14/850375214.db2.gz HRWLEAFTTMBKBS-KDURUIRLSA-N 1 2 386.398 3.672 20 30 GHEDLO CC(C)[N@@H+](Cc1nc(C#N)cs1)C[C@@H](O)COc1cccc2ccccc21 ZINC000514897506 850443698 /nfs/dbraw/zinc/44/36/98/850443698.db2.gz WBHNABFQKWFWGU-GOSISDBHSA-N 1 2 381.501 3.818 20 30 GHEDLO CC(C)[N@H+](Cc1nc(C#N)cs1)C[C@@H](O)COc1cccc2ccccc21 ZINC000514897506 850443703 /nfs/dbraw/zinc/44/37/03/850443703.db2.gz WBHNABFQKWFWGU-GOSISDBHSA-N 1 2 381.501 3.818 20 30 GHEDLO N#CCCCn1cc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c2ccccc21 ZINC000435402136 850486131 /nfs/dbraw/zinc/48/61/31/850486131.db2.gz OZHREEWAYCVHFG-UHFFFAOYSA-N 1 2 387.487 3.870 20 30 GHEDLO N#CCCn1cc(C[N@H+]2CCOc3ccc(F)cc3C2)c(-c2ccccc2)n1 ZINC000426516252 850523360 /nfs/dbraw/zinc/52/33/60/850523360.db2.gz VBFNURLFCKBOFM-UHFFFAOYSA-N 1 2 376.435 3.997 20 30 GHEDLO N#CCCn1cc(C[N@@H+]2CCOc3ccc(F)cc3C2)c(-c2ccccc2)n1 ZINC000426516252 850523366 /nfs/dbraw/zinc/52/33/66/850523366.db2.gz VBFNURLFCKBOFM-UHFFFAOYSA-N 1 2 376.435 3.997 20 30 GHEDLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)CC2)s1 ZINC000180445548 862143120 /nfs/dbraw/zinc/14/31/20/862143120.db2.gz AIRIDDPRZMODJM-UHFFFAOYSA-N 1 2 379.529 3.824 20 30 GHEDLO O=C(c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N1CC(n2cc[nH+]c2)C1 ZINC000668758602 850574387 /nfs/dbraw/zinc/57/43/87/850574387.db2.gz AWJCABAOMMONNW-UHFFFAOYSA-N 1 2 395.278 3.870 20 30 GHEDLO CC(C)[C@@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000505210851 850723289 /nfs/dbraw/zinc/72/32/89/850723289.db2.gz OZBMFFACMMWGIW-HSZRJFAPSA-N 1 2 390.531 3.825 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cc(-c3ccncc3)ccc2OC)c1 ZINC000186911259 862171164 /nfs/dbraw/zinc/17/11/64/862171164.db2.gz RYYJXQHVWWCXKX-UHFFFAOYSA-N 1 2 385.467 3.809 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cc(-c3ccncc3)ccc2OC)c1 ZINC000186911259 862171170 /nfs/dbraw/zinc/17/11/70/862171170.db2.gz RYYJXQHVWWCXKX-UHFFFAOYSA-N 1 2 385.467 3.809 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)s1 ZINC000506802586 850957460 /nfs/dbraw/zinc/95/74/60/850957460.db2.gz CSHFNHXFMZLCGD-UHFFFAOYSA-N 1 2 396.394 3.869 20 30 GHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000246511838 851022612 /nfs/dbraw/zinc/02/26/12/851022612.db2.gz QQCUFZYJASTUCO-XLIONFOSSA-N 1 2 375.428 3.793 20 30 GHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000246511838 851022620 /nfs/dbraw/zinc/02/26/20/851022620.db2.gz QQCUFZYJASTUCO-XLIONFOSSA-N 1 2 375.428 3.793 20 30 GHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000246511850 851023038 /nfs/dbraw/zinc/02/30/38/851023038.db2.gz QQCUFZYJASTUCO-YLJYHZDGSA-N 1 2 375.428 3.793 20 30 GHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000246511850 851023047 /nfs/dbraw/zinc/02/30/47/851023047.db2.gz QQCUFZYJASTUCO-YLJYHZDGSA-N 1 2 375.428 3.793 20 30 GHEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)oc2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000436053458 851150929 /nfs/dbraw/zinc/15/09/29/851150929.db2.gz OCGJCBBZZYOKPJ-MSOLQXFVSA-N 1 2 375.831 3.818 20 30 GHEDLO CC[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)oc2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000436053458 851150935 /nfs/dbraw/zinc/15/09/35/851150935.db2.gz OCGJCBBZZYOKPJ-MSOLQXFVSA-N 1 2 375.831 3.818 20 30 GHEDLO C=C(Cl)CSc1nc(C)c(CC(=O)NCC(C)(C)n2cc[nH+]c2)s1 ZINC000912615461 852400723 /nfs/dbraw/zinc/40/07/23/852400723.db2.gz XQWVYELSEWZJLN-UHFFFAOYSA-N 1 2 384.958 3.587 20 30 GHEDLO C[C@@H](c1cccc(NC(=O)CSCc2ccc(C#N)cc2)c1)[NH+]1CCOCC1 ZINC000517854835 852520873 /nfs/dbraw/zinc/52/08/73/852520873.db2.gz NFULDGAHYJTALG-KRWDZBQOSA-N 1 2 395.528 3.823 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)C[C@@H]2OCCc3ccccc32)c1 ZINC000507262060 852723522 /nfs/dbraw/zinc/72/35/22/852723522.db2.gz WWGCJURUOMYCMK-QHCPKHFHSA-N 1 2 391.515 3.796 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)C[C@@H]2OCCc3ccccc32)c1 ZINC000507262060 852723529 /nfs/dbraw/zinc/72/35/29/852723529.db2.gz WWGCJURUOMYCMK-QHCPKHFHSA-N 1 2 391.515 3.796 20 30 GHEDLO C[C@H]1CCCN(C(=O)C[N@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C1 ZINC000438729532 852767850 /nfs/dbraw/zinc/76/78/50/852767850.db2.gz BHAPLRWMTUBOSW-SFHVURJKSA-N 1 2 379.479 3.958 20 30 GHEDLO C[C@H]1CCCN(C(=O)C[N@@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C1 ZINC000438729532 852767856 /nfs/dbraw/zinc/76/78/56/852767856.db2.gz BHAPLRWMTUBOSW-SFHVURJKSA-N 1 2 379.479 3.958 20 30 GHEDLO CC(C)(C(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1cc(F)cc(C#N)c1 ZINC000505995821 852881169 /nfs/dbraw/zinc/88/11/69/852881169.db2.gz KWBKKCVJXBCAOE-UHFFFAOYSA-N 1 2 390.462 3.579 20 30 GHEDLO C[NH+](C)Cc1ccc(NS(=O)(=O)c2ccc(C#N)cc2Cl)cc1Cl ZINC000481860253 862412117 /nfs/dbraw/zinc/41/21/17/862412117.db2.gz HCJMNPQNOIRIAJ-UHFFFAOYSA-N 1 2 384.288 3.727 20 30 GHEDLO C[C@@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[NH+]1CCC(C)(C#N)CC1 ZINC000506023308 852985914 /nfs/dbraw/zinc/98/59/14/852985914.db2.gz VZXHDKWYOWNDFG-HNNXBMFYSA-N 1 2 396.516 3.953 20 30 GHEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000517006117 853248206 /nfs/dbraw/zinc/24/82/06/853248206.db2.gz BUSBGEQABRJHNR-VQIMIIECSA-N 1 2 383.517 3.621 20 30 GHEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000517006117 853248212 /nfs/dbraw/zinc/24/82/12/853248212.db2.gz BUSBGEQABRJHNR-VQIMIIECSA-N 1 2 383.517 3.621 20 30 GHEDLO Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000517074377 853308544 /nfs/dbraw/zinc/30/85/44/853308544.db2.gz NBEOIDGYTQFUPR-LJQANCHMSA-N 1 2 388.446 3.998 20 30 GHEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000437627013 853332493 /nfs/dbraw/zinc/33/24/93/853332493.db2.gz GYLXHDVKQPNDJS-PXNSSMCTSA-N 1 2 382.907 3.961 20 30 GHEDLO C=C[C@](C)(CCOC)C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000437645030 853356603 /nfs/dbraw/zinc/35/66/03/853356603.db2.gz YJACUWWERKWVPS-OAQYLSRUSA-N 1 2 385.533 3.869 20 30 GHEDLO C=C[C@](C)(CCOC)C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000437645030 853356618 /nfs/dbraw/zinc/35/66/18/853356618.db2.gz YJACUWWERKWVPS-OAQYLSRUSA-N 1 2 385.533 3.869 20 30 GHEDLO CC(C)(C)c1ccc(S(=O)(=O)N2CC[NH+](CC(C)(C)CCC#N)CC2)cc1 ZINC000506115119 853458751 /nfs/dbraw/zinc/45/87/51/853458751.db2.gz FRLWOEXUDLDVSX-UHFFFAOYSA-N 1 2 391.581 3.620 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1 ZINC000517264575 853595067 /nfs/dbraw/zinc/59/50/67/853595067.db2.gz KPJGVEZLYXHKRO-IRLDBZIGSA-N 1 2 381.520 3.584 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1 ZINC000517264575 853595074 /nfs/dbraw/zinc/59/50/74/853595074.db2.gz KPJGVEZLYXHKRO-IRLDBZIGSA-N 1 2 381.520 3.584 20 30 GHEDLO C=CCC[C@@H](NC(=O)NCC[N@H+]1CCOC[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000440863019 853686405 /nfs/dbraw/zinc/68/64/05/853686405.db2.gz WNYBUDKAUQTFIP-CRAIPNDOSA-N 1 2 399.457 3.733 20 30 GHEDLO C=CCC[C@@H](NC(=O)NCC[N@@H+]1CCOC[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000440863019 853686409 /nfs/dbraw/zinc/68/64/09/853686409.db2.gz WNYBUDKAUQTFIP-CRAIPNDOSA-N 1 2 399.457 3.733 20 30 GHEDLO CC1(C)[C@H](NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C[C@@H]1OCc1ccccc1 ZINC000330003058 862496586 /nfs/dbraw/zinc/49/65/86/862496586.db2.gz ZJQBHMMSLIQTHL-UXHICEINSA-N 1 2 382.508 3.887 20 30 GHEDLO CC1(C)[C@H](NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C[C@@H]1OCc1ccccc1 ZINC000330003058 862496598 /nfs/dbraw/zinc/49/65/98/862496598.db2.gz ZJQBHMMSLIQTHL-UXHICEINSA-N 1 2 382.508 3.887 20 30 GHEDLO N#CC[C@H](Cc1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1)c1ccccc1 ZINC000481919387 862516817 /nfs/dbraw/zinc/51/68/17/862516817.db2.gz ITRJLMNTQDQEHU-HXUWFJFHSA-N 1 2 388.471 3.809 20 30 GHEDLO C[C@@](C#N)(NC(=O)C[NH2+][C@H](c1ccc(F)cc1)c1ccccc1Cl)C1CC1 ZINC000055873694 854198248 /nfs/dbraw/zinc/19/82/48/854198248.db2.gz WRNYLKMYTXZPQH-RTWAWAEBSA-N 1 2 385.870 3.967 20 30 GHEDLO C[C@@H]1C[N@H+](CC(=O)NCC2(c3ccccc3)CCCCC2)C[C@]2(CCOC2)O1 ZINC000330065886 862548251 /nfs/dbraw/zinc/54/82/51/862548251.db2.gz DHSWFBFJXWJLIH-XXBNENTESA-N 1 2 386.536 3.725 20 30 GHEDLO C[C@@H]1C[N@@H+](CC(=O)NCC2(c3ccccc3)CCCCC2)C[C@]2(CCOC2)O1 ZINC000330065886 862548258 /nfs/dbraw/zinc/54/82/58/862548258.db2.gz DHSWFBFJXWJLIH-XXBNENTESA-N 1 2 386.536 3.725 20 30 GHEDLO Cc1cn2c([nH+]1)[C@H](CNC([O-])=[NH+][C@@H]1C[C@@H]1c1c(F)cccc1Cl)CCC2 ZINC000328692344 854511243 /nfs/dbraw/zinc/51/12/43/854511243.db2.gz FHBDQMOGEHBJBD-HEHGZKQESA-N 1 2 376.863 3.921 20 30 GHEDLO Cc1cn2c([nH+]1)[C@H](C[NH+]=C([O-])N[C@@H]1C[C@@H]1c1c(F)cccc1Cl)CCC2 ZINC000328692344 854511249 /nfs/dbraw/zinc/51/12/49/854511249.db2.gz FHBDQMOGEHBJBD-HEHGZKQESA-N 1 2 376.863 3.921 20 30 GHEDLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)c3coc(C4CCCC4)n3)c2)CC1 ZINC000328729106 854538811 /nfs/dbraw/zinc/53/88/11/854538811.db2.gz HENREUCANPMRKC-UHFFFAOYSA-N 1 2 396.491 3.633 20 30 GHEDLO O=C(N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCc2sccc2C1)C1CCCCC1 ZINC000328797377 854561036 /nfs/dbraw/zinc/56/10/36/854561036.db2.gz VTXNQNSMPLMNDE-QGZVFWFLSA-N 1 2 386.521 3.504 20 30 GHEDLO O=C(N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCc2sccc2C1)C1CCCCC1 ZINC000328797377 854561040 /nfs/dbraw/zinc/56/10/40/854561040.db2.gz VTXNQNSMPLMNDE-QGZVFWFLSA-N 1 2 386.521 3.504 20 30 GHEDLO O=C(Nc1ccc(F)cc1)c1nnc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)s1 ZINC000328835607 854568524 /nfs/dbraw/zinc/56/85/24/854568524.db2.gz MJYIIIHTDUBVPQ-CQSZACIVSA-N 1 2 390.484 3.562 20 30 GHEDLO O=C(Nc1ccc(F)cc1)c1nnc(C[N@H+]2CC[C@@H](C3CCOCC3)C2)s1 ZINC000328835607 854568536 /nfs/dbraw/zinc/56/85/36/854568536.db2.gz MJYIIIHTDUBVPQ-CQSZACIVSA-N 1 2 390.484 3.562 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC[C@@H]3[C@@H]3CCCO3)n2)C1 ZINC000328857407 854579878 /nfs/dbraw/zinc/57/98/78/854579878.db2.gz XVYZKJFUKSFQIZ-OIISXLGYSA-N 1 2 378.542 3.564 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC[C@@H]3[C@@H]3CCCO3)n2)C1 ZINC000328857407 854579880 /nfs/dbraw/zinc/57/98/80/854579880.db2.gz XVYZKJFUKSFQIZ-OIISXLGYSA-N 1 2 378.542 3.564 20 30 GHEDLO N#Cc1ccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1Br ZINC000589010489 854658210 /nfs/dbraw/zinc/65/82/10/854658210.db2.gz JRGXACWKJDZCNA-UHFFFAOYSA-N 1 2 381.233 3.818 20 30 GHEDLO C=CCC1(c2nc([C@H]3C[N@@H+](Cc4ccccc4)C[C@@H](C)O3)no2)CCOCC1 ZINC000665001441 854704878 /nfs/dbraw/zinc/70/48/78/854704878.db2.gz WBVKSHIACVFZLS-IEBWSBKVSA-N 1 2 383.492 3.656 20 30 GHEDLO C=CCC1(c2nc([C@H]3C[N@H+](Cc4ccccc4)C[C@@H](C)O3)no2)CCOCC1 ZINC000665001441 854704884 /nfs/dbraw/zinc/70/48/84/854704884.db2.gz WBVKSHIACVFZLS-IEBWSBKVSA-N 1 2 383.492 3.656 20 30 GHEDLO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330139488 862607673 /nfs/dbraw/zinc/60/76/73/862607673.db2.gz WHUFVNGUCKDFGK-QWQRMKEZSA-N 1 2 397.313 3.696 20 30 GHEDLO C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330139488 862607676 /nfs/dbraw/zinc/60/76/76/862607676.db2.gz WHUFVNGUCKDFGK-QWQRMKEZSA-N 1 2 397.313 3.696 20 30 GHEDLO C=CC(C)(C)CNC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000458987385 855054555 /nfs/dbraw/zinc/05/45/55/855054555.db2.gz MDHOXQIFQBPZQW-UHFFFAOYSA-N 1 2 395.301 3.663 20 30 GHEDLO N#Cc1cc(Oc2ccc(NC(=O)[C@H]3CCC[N@@H+]3Cc3ccccn3)cc2)ccn1 ZINC000589959109 855206945 /nfs/dbraw/zinc/20/69/45/855206945.db2.gz IIZMWLSBYUBKMJ-JOCHJYFZSA-N 1 2 399.454 3.744 20 30 GHEDLO N#Cc1cc(Oc2ccc(NC(=O)[C@H]3CCC[N@H+]3Cc3ccccn3)cc2)ccn1 ZINC000589959109 855206950 /nfs/dbraw/zinc/20/69/50/855206950.db2.gz IIZMWLSBYUBKMJ-JOCHJYFZSA-N 1 2 399.454 3.744 20 30 GHEDLO N#Cc1nccnc1N1CC[NH+]([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000301186637 855635122 /nfs/dbraw/zinc/63/51/22/855635122.db2.gz PRNAIRDVLRBQKJ-NRFANRHFSA-N 1 2 389.890 3.913 20 30 GHEDLO N#Cc1ccnc(NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000301636731 855731178 /nfs/dbraw/zinc/73/11/78/855731178.db2.gz LCEIKLNUPIKNJE-OAHLLOKOSA-N 1 2 389.818 3.903 20 30 GHEDLO CCc1nnc(N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)c(C#N)c1CC ZINC000301879686 855774573 /nfs/dbraw/zinc/77/45/73/855774573.db2.gz JSNJKNXNIHJTSX-WOJBJXKFSA-N 1 2 399.926 3.610 20 30 GHEDLO CCc1nnc(N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)c(C#N)c1CC ZINC000301879686 855774577 /nfs/dbraw/zinc/77/45/77/855774577.db2.gz JSNJKNXNIHJTSX-WOJBJXKFSA-N 1 2 399.926 3.610 20 30 GHEDLO C[N@@H+]1CCO[C@@H]([C@@H](Nc2ccc([N+](=O)[O-])cc2C#N)c2ccc(Cl)cc2)C1 ZINC000301903255 855779540 /nfs/dbraw/zinc/77/95/40/855779540.db2.gz XDKFWEDABHOINB-MOPGFXCFSA-N 1 2 386.839 3.604 20 30 GHEDLO C[N@H+]1CCO[C@@H]([C@@H](Nc2ccc([N+](=O)[O-])cc2C#N)c2ccc(Cl)cc2)C1 ZINC000301903255 855779545 /nfs/dbraw/zinc/77/95/45/855779545.db2.gz XDKFWEDABHOINB-MOPGFXCFSA-N 1 2 386.839 3.604 20 30 GHEDLO CC(=O)c1ccc(C#N)c(NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)c1 ZINC000302105363 855817330 /nfs/dbraw/zinc/81/73/30/855817330.db2.gz NEWBRODRLRLKGF-QHCPKHFHSA-N 1 2 376.504 3.552 20 30 GHEDLO CC(=O)c1ccc(C#N)c(NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)c1 ZINC000302105363 855817335 /nfs/dbraw/zinc/81/73/35/855817335.db2.gz NEWBRODRLRLKGF-QHCPKHFHSA-N 1 2 376.504 3.552 20 30 GHEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH+]=C([O-])N1CCC(c3ccncc3)CC1)C2 ZINC000330287881 862724357 /nfs/dbraw/zinc/72/43/57/862724357.db2.gz BJHKPHUHCQXTRH-GOSISDBHSA-N 1 2 381.524 3.684 20 30 GHEDLO N#Cc1ccc(C(F)(F)F)c(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)c1 ZINC000302268707 855846624 /nfs/dbraw/zinc/84/66/24/855846624.db2.gz GLXRCOGXPPHFMA-UXHICEINSA-N 1 2 387.405 3.667 20 30 GHEDLO N#Cc1ccc(C(F)(F)F)c(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)c1 ZINC000302268707 855846628 /nfs/dbraw/zinc/84/66/28/855846628.db2.gz GLXRCOGXPPHFMA-UXHICEINSA-N 1 2 387.405 3.667 20 30 GHEDLO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000554215571 855848633 /nfs/dbraw/zinc/84/86/33/855848633.db2.gz QOEGBABPEFDULQ-HOCLYGCPSA-N 1 2 392.341 3.838 20 30 GHEDLO CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000554215571 855848639 /nfs/dbraw/zinc/84/86/39/855848639.db2.gz QOEGBABPEFDULQ-HOCLYGCPSA-N 1 2 392.341 3.838 20 30 GHEDLO Cn1cc[nH+]c1C[C@H](NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000591390222 855943526 /nfs/dbraw/zinc/94/35/26/855943526.db2.gz GUGRWZABLVZINC-YADHBBJMSA-N 1 2 399.498 3.952 20 30 GHEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1 ZINC000128959279 856015036 /nfs/dbraw/zinc/01/50/36/856015036.db2.gz BTDHXJZFVKSMRA-MRXNPFEDSA-N 1 2 383.517 3.683 20 30 GHEDLO N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(Cn4cc[nH+]c4)cn3)o2)cc1 ZINC000568754277 856018714 /nfs/dbraw/zinc/01/87/14/856018714.db2.gz GUXPCHDDVXXJQA-UHFFFAOYSA-N 1 2 399.410 3.622 20 30 GHEDLO COc1ccc(C#N)cc1C[NH2+][C@H](CCO)c1ccccc1Br ZINC000542882328 856509714 /nfs/dbraw/zinc/50/97/14/856509714.db2.gz YMZIKKZXTNIEBK-QGZVFWFLSA-N 1 2 375.266 3.543 20 30 GHEDLO N#Cc1cnccc1C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000592077704 856653227 /nfs/dbraw/zinc/65/32/27/856653227.db2.gz PPEJMHMFRAJLKY-UHFFFAOYSA-N 1 2 399.292 3.566 20 30 GHEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000733306966 862849603 /nfs/dbraw/zinc/84/96/03/862849603.db2.gz NWMUHFWLHHRGRV-JTQLQIEISA-N 1 2 382.247 3.666 20 30 GHEDLO CCn1cc(C[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C(C)C)cn1 ZINC000593083706 857317041 /nfs/dbraw/zinc/31/70/41/857317041.db2.gz WJWTUMZNGQDKHW-UHFFFAOYSA-N 1 2 381.524 3.677 20 30 GHEDLO CCn1cc(C[N@@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C(C)C)cn1 ZINC000593083706 857317050 /nfs/dbraw/zinc/31/70/50/857317050.db2.gz WJWTUMZNGQDKHW-UHFFFAOYSA-N 1 2 381.524 3.677 20 30 GHEDLO COc1ccccc1/C=C\C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000255368451 857748583 /nfs/dbraw/zinc/74/85/83/857748583.db2.gz YDGYJCFUKYKPDE-DAXSKMNVSA-N 1 2 390.443 3.650 20 30 GHEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000672914741 857873899 /nfs/dbraw/zinc/87/38/99/857873899.db2.gz ZVFFPOAIMZSXLQ-UHFFFAOYSA-N 1 2 394.523 3.751 20 30 GHEDLO COc1cc(C[N@H+](C)Cc2ccc(C#N)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000046528795 858047441 /nfs/dbraw/zinc/04/74/41/858047441.db2.gz LZRIGMVAZDVPFB-UHFFFAOYSA-N 1 2 377.347 3.708 20 30 GHEDLO COc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)c([N+](=O)[O-])cc1OC(F)F ZINC000046528795 858047449 /nfs/dbraw/zinc/04/74/49/858047449.db2.gz LZRIGMVAZDVPFB-UHFFFAOYSA-N 1 2 377.347 3.708 20 30 GHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCCC[C@@H]2c2ccnn2C)c1C ZINC000281387403 863004993 /nfs/dbraw/zinc/00/49/93/863004993.db2.gz MTFOIXVNZVOFKL-OAQYLSRUSA-N 1 2 379.508 3.511 20 30 GHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2c2ccnn2C)c1C ZINC000281387403 863005009 /nfs/dbraw/zinc/00/50/09/863005009.db2.gz MTFOIXVNZVOFKL-OAQYLSRUSA-N 1 2 379.508 3.511 20 30 GHEDLO C=C1CC[NH+]([C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2OCCOC)CC1 ZINC000594733992 858268057 /nfs/dbraw/zinc/26/80/57/858268057.db2.gz WZAUPDJHHYXOLF-CQSZACIVSA-N 1 2 386.414 3.710 20 30 GHEDLO Cc1ccc(-c2nc(CN3CC[NH+](Cc4ccc(C#N)cc4)CC3)cs2)o1 ZINC000046720683 858397811 /nfs/dbraw/zinc/39/78/11/858397811.db2.gz MOINCGZIVRMPSK-UHFFFAOYSA-N 1 2 378.501 3.901 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000521927016 858452916 /nfs/dbraw/zinc/45/29/16/858452916.db2.gz QTNPUJJSSQYWKY-QGZVFWFLSA-N 1 2 387.524 3.613 20 30 GHEDLO COc1cc(C[NH+]2CCN(c3ccsc3C#N)CC2)ccc1OC(F)F ZINC000595633365 858624283 /nfs/dbraw/zinc/62/42/83/858624283.db2.gz VTUJNWWSEXGURV-UHFFFAOYSA-N 1 2 379.432 3.552 20 30 GHEDLO Cc1cccc(S(=O)(=O)CCC[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000466212243 858712028 /nfs/dbraw/zinc/71/20/28/858712028.db2.gz ZNRSONSRIQVNRK-UHFFFAOYSA-N 1 2 380.513 3.820 20 30 GHEDLO Cc1cccc(S(=O)(=O)CCC[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000466212243 858712030 /nfs/dbraw/zinc/71/20/30/858712030.db2.gz ZNRSONSRIQVNRK-UHFFFAOYSA-N 1 2 380.513 3.820 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000507238964 858791332 /nfs/dbraw/zinc/79/13/32/858791332.db2.gz SWUNECAUEBEBMW-CQSZACIVSA-N 1 2 397.548 3.818 20 30 GHEDLO N#CC1(c2ccc(C[NH2+]C3(c4ncc(Br)cn4)CCC3)cc2)CC1 ZINC000922999275 858933530 /nfs/dbraw/zinc/93/35/30/858933530.db2.gz ACSUZEBQXPFWSS-UHFFFAOYSA-N 1 2 383.293 3.963 20 30 GHEDLO N#Cc1cccc(OCCCCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000116643368 859076111 /nfs/dbraw/zinc/07/61/11/859076111.db2.gz XTYLNJMFWOOLFD-UHFFFAOYSA-N 1 2 393.487 3.578 20 30 GHEDLO N#CC1(c2ccc(C[NH+]3CCN(C(=O)c4cccc(Cl)c4)CC3)cc2)CC1 ZINC000596982666 859211431 /nfs/dbraw/zinc/21/14/31/859211431.db2.gz DQBURXQGOKRORD-UHFFFAOYSA-N 1 2 379.891 3.853 20 30 GHEDLO N#CC1(NC(=O)C[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)CCCCC1 ZINC000060483383 859333231 /nfs/dbraw/zinc/33/32/31/859333231.db2.gz SYEJOSAJNLVRPZ-UHFFFAOYSA-N 1 2 387.911 3.577 20 30 GHEDLO C[NH+](C)Cc1csc(CNc2nc3c(c(C#N)c2C#N)CCCCCC3)n1 ZINC000895481217 859582031 /nfs/dbraw/zinc/58/20/31/859582031.db2.gz RPZHTCQESBXQJC-UHFFFAOYSA-N 1 2 380.521 3.614 20 30 GHEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC000611124991 859618887 /nfs/dbraw/zinc/61/88/87/859618887.db2.gz SDXLMOLBLGXHHM-MRXNPFEDSA-N 1 2 388.431 3.500 20 30 GHEDLO N#CCCN1CC[NH+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CC1 ZINC000611174537 859628333 /nfs/dbraw/zinc/62/83/33/859628333.db2.gz KYIWAHIMTGACRA-UHFFFAOYSA-N 1 2 385.924 3.747 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+](CC)CCc2cccs2)c1=S ZINC000764943029 859692438 /nfs/dbraw/zinc/69/24/38/859692438.db2.gz APVYHOFEASZRAV-UHFFFAOYSA-N 1 2 386.550 3.641 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+](CC)CCc2cccs2)c1=S ZINC000764943029 859692445 /nfs/dbraw/zinc/69/24/45/859692445.db2.gz APVYHOFEASZRAV-UHFFFAOYSA-N 1 2 386.550 3.641 20 30 GHEDLO C[C@@H](c1ccncc1)[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000611530652 859802273 /nfs/dbraw/zinc/80/22/73/859802273.db2.gz HJQVXFHNRGRRSY-KXBFYZLASA-N 1 2 385.309 3.788 20 30 GHEDLO COc1ccc(CN(C(=O)C[NH2+][C@@H](C)CC#N)[C@@H](C)Cc2cccs2)cc1 ZINC000602860929 860318469 /nfs/dbraw/zinc/31/84/69/860318469.db2.gz DXWMNEPWJBVMGH-IRXDYDNUSA-N 1 2 385.533 3.608 20 30 GHEDLO N#Cc1ccc(Br)c(C[NH2+][C@H](CO)c2cccc(Cl)c2F)c1 ZINC000499967821 860343440 /nfs/dbraw/zinc/34/34/40/860343440.db2.gz WKQVEXRWYPBIHG-OAHLLOKOSA-N 1 2 383.648 3.936 20 30 GHEDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000728126232 860385976 /nfs/dbraw/zinc/38/59/76/860385976.db2.gz RSWCSVDRDXXWJS-OAHLLOKOSA-N 1 2 377.395 3.593 20 30 GHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000155357588 860487371 /nfs/dbraw/zinc/48/73/71/860487371.db2.gz QPROQXMJMDCFRC-PXNSSMCTSA-N 1 2 395.528 3.987 20 30 GHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000155357588 860487376 /nfs/dbraw/zinc/48/73/76/860487376.db2.gz QPROQXMJMDCFRC-PXNSSMCTSA-N 1 2 395.528 3.987 20 30 GHEDLO CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000603160556 860516892 /nfs/dbraw/zinc/51/68/92/860516892.db2.gz ZDWOYCYECSFSRQ-FCHUYYIVSA-N 1 2 399.498 3.541 20 30 GHEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H](CC)Cc1ccc2c(c1)OCO2 ZINC001170407397 881575924 /nfs/dbraw/zinc/57/59/24/881575924.db2.gz LFYGSORXEZYUEN-PMACEKPBSA-N 1 2 381.472 3.667 20 30 GHEDLO N#Cc1cccc(COc2cccc(CN3CC[NH+](Cc4ccccn4)CC3)c2)c1 ZINC000125768679 860771244 /nfs/dbraw/zinc/77/12/44/860771244.db2.gz HYALAILGVGRTNY-UHFFFAOYSA-N 1 2 398.510 3.850 20 30 GHEDLO COc1ccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cc1OC1CC1 ZINC000600107786 861002509 /nfs/dbraw/zinc/00/25/09/861002509.db2.gz XJURLKIKBYRDNM-OAQYLSRUSA-N 1 2 377.488 3.619 20 30 GHEDLO COc1cc(C#N)ccc1S(=O)(=O)Nc1cccc2c1C[N@@H+]([C@@H](C)C(C)C)C2 ZINC000185706147 861110822 /nfs/dbraw/zinc/11/08/22/861110822.db2.gz XPOQXBKRRMKDNR-HNNXBMFYSA-N 1 2 399.516 3.728 20 30 GHEDLO COc1cc(C#N)ccc1S(=O)(=O)Nc1cccc2c1C[N@H+]([C@@H](C)C(C)C)C2 ZINC000185706147 861110828 /nfs/dbraw/zinc/11/08/28/861110828.db2.gz XPOQXBKRRMKDNR-HNNXBMFYSA-N 1 2 399.516 3.728 20 30 GHEDLO N#CC1CCC(CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CC1 ZINC000281601244 863262425 /nfs/dbraw/zinc/26/24/25/863262425.db2.gz AIKXOWKEURYJBR-ZHAWHOEGSA-N 1 2 377.492 3.741 20 30 GHEDLO Cc1nc(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)ccc1C#N ZINC000031890039 881655707 /nfs/dbraw/zinc/65/57/07/881655707.db2.gz ARCYJNFHMVZXKJ-GOSISDBHSA-N 1 2 386.858 3.621 20 30 GHEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC000455936136 863879599 /nfs/dbraw/zinc/87/95/99/863879599.db2.gz BYONWTYLIINJMX-MRXNPFEDSA-N 1 2 396.516 3.552 20 30 GHEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC000455936136 863879615 /nfs/dbraw/zinc/87/96/15/863879615.db2.gz BYONWTYLIINJMX-MRXNPFEDSA-N 1 2 396.516 3.552 20 30 GHEDLO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@@H](Cc3ccccc3)c3ncco3)C2=O)cc1 ZINC000594053450 863912634 /nfs/dbraw/zinc/91/26/34/863912634.db2.gz BGMTWCORVIDNJW-RTWAWAEBSA-N 1 2 386.455 3.615 20 30 GHEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281992720 864118492 /nfs/dbraw/zinc/11/84/92/864118492.db2.gz HENVFQLJIUISMM-DLBZAZTESA-N 1 2 393.491 3.922 20 30 GHEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC000455939616 864137766 /nfs/dbraw/zinc/13/77/66/864137766.db2.gz GRSOHSMDJTWCKX-MRXNPFEDSA-N 1 2 396.516 3.552 20 30 GHEDLO Cc1csc([C@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)n1 ZINC000184237566 864265548 /nfs/dbraw/zinc/26/55/48/864265548.db2.gz JDTHZRKAKHRUKZ-AWEZNQCLSA-N 1 2 397.504 3.672 20 30 GHEDLO CCn1cncc1C[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000897055560 864372572 /nfs/dbraw/zinc/37/25/72/864372572.db2.gz QMOQRYYTBRUWPM-NXEZZACHSA-N 1 2 377.279 3.506 20 30 GHEDLO Cc1cc(C#N)ccc1C[NH+]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000186162021 864380264 /nfs/dbraw/zinc/38/02/64/864380264.db2.gz PBTJDIPBDCUXDR-UHFFFAOYSA-N 1 2 387.405 3.844 20 30 GHEDLO Cc1nc(NC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)sc1SCC#N ZINC000475441267 865177437 /nfs/dbraw/zinc/17/74/37/865177437.db2.gz DFXHAVQGFIGNKR-UHFFFAOYSA-N 1 2 393.444 3.642 20 30 GHEDLO O=C(CCc1ccccc1)N1CCC[N@@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000156660952 865467393 /nfs/dbraw/zinc/46/73/93/865467393.db2.gz MITFYFJONSNRCE-UHFFFAOYSA-N 1 2 380.919 3.859 20 30 GHEDLO O=C(CCc1ccccc1)N1CCC[N@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000156660952 865467402 /nfs/dbraw/zinc/46/74/02/865467402.db2.gz MITFYFJONSNRCE-UHFFFAOYSA-N 1 2 380.919 3.859 20 30 GHEDLO C=CCn1c2nn(C[N@H+]3CCC[C@H](CC)CC3)c(=S)n2c2ccccc2c1=O ZINC000738256336 865508563 /nfs/dbraw/zinc/50/85/63/865508563.db2.gz SDHBINZLFDSKAB-INIZCTEOSA-N 1 2 397.548 3.836 20 30 GHEDLO C=CCn1c2nn(C[N@@H+]3CCC[C@H](CC)CC3)c(=S)n2c2ccccc2c1=O ZINC000738256336 865508568 /nfs/dbraw/zinc/50/85/68/865508568.db2.gz SDHBINZLFDSKAB-INIZCTEOSA-N 1 2 397.548 3.836 20 30 GHEDLO C#CCOc1cccc(NC(=O)N2CC[NH+](Cc3ccc(CC)s3)CC2)c1 ZINC000738941168 865663838 /nfs/dbraw/zinc/66/38/38/865663838.db2.gz MDFVGDFTHHMQEB-UHFFFAOYSA-N 1 2 383.517 3.672 20 30 GHEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000739915908 865827489 /nfs/dbraw/zinc/82/74/89/865827489.db2.gz UESISOWQGVXJIF-QHCPKHFHSA-N 1 2 389.499 3.547 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC([C@H](O)c3ccccc3)CC2)c(C#N)c1C ZINC000121348166 865860858 /nfs/dbraw/zinc/86/08/58/865860858.db2.gz IKVZKCKBHHVPKB-MGPUTAFESA-N 1 2 381.476 3.541 20 30 GHEDLO COC(=O)[C@H]1C[C@@H](OC)CC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444675813 867048200 /nfs/dbraw/zinc/04/82/00/867048200.db2.gz SCOGILMYTDMZQT-FCHUYYIVSA-N 1 2 392.499 3.539 20 30 GHEDLO COC(=O)[C@H]1C[C@@H](OC)CC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444675813 867048215 /nfs/dbraw/zinc/04/82/15/867048215.db2.gz SCOGILMYTDMZQT-FCHUYYIVSA-N 1 2 392.499 3.539 20 30 GHEDLO CCCc1noc(CO[NH+]=C(N)c2ccc(COc3ccccc3F)cc2)n1 ZINC000742356922 867230294 /nfs/dbraw/zinc/23/02/94/867230294.db2.gz JRALNOHRGSLXHE-UHFFFAOYSA-N 1 2 384.411 3.577 20 30 GHEDLO N#Cc1cc(NC(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)ccc1F ZINC000523633042 867657014 /nfs/dbraw/zinc/65/70/14/867657014.db2.gz WBGFRCSUMIDZQI-HNNXBMFYSA-N 1 2 388.393 3.762 20 30 GHEDLO N#Cc1cc(NC(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)ccc1F ZINC000523633042 867657021 /nfs/dbraw/zinc/65/70/21/867657021.db2.gz WBGFRCSUMIDZQI-HNNXBMFYSA-N 1 2 388.393 3.762 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](Cc3nnc(-c4cccc(F)c4)o3)CC2)cc1 ZINC000743846636 868460173 /nfs/dbraw/zinc/46/01/73/868460173.db2.gz SKAGHNWWLSHNGP-UHFFFAOYSA-N 1 2 378.407 3.791 20 30 GHEDLO CC(C)C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1cc(C#N)ccn1 ZINC000553973357 868544686 /nfs/dbraw/zinc/54/46/86/868544686.db2.gz TZMPJOYZKNUIQT-FQEVSTJZSA-N 1 2 396.922 3.979 20 30 GHEDLO CC(C)C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1cc(C#N)ccn1 ZINC000553973357 868544698 /nfs/dbraw/zinc/54/46/98/868544698.db2.gz TZMPJOYZKNUIQT-FQEVSTJZSA-N 1 2 396.922 3.979 20 30 GHEDLO CN(CC(C)(C)C#N)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000457672375 868608761 /nfs/dbraw/zinc/60/87/61/868608761.db2.gz OPQCYGQWCJTOSU-INIZCTEOSA-N 1 2 380.895 3.807 20 30 GHEDLO CC(C)[C@H](C(=O)Nc1cccc(C#Cc2ccccn2)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000621107214 868721404 /nfs/dbraw/zinc/72/14/04/868721404.db2.gz RYLPPJNGYGTEPH-SELNLUPBSA-N 1 2 391.515 3.554 20 30 GHEDLO CC(C)[C@H](C(=O)Nc1cccc(C#Cc2ccccn2)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000621107214 868721408 /nfs/dbraw/zinc/72/14/08/868721408.db2.gz RYLPPJNGYGTEPH-SELNLUPBSA-N 1 2 391.515 3.554 20 30 GHEDLO COc1ccc(C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)cc1SC(F)(F)F ZINC000744402670 868810963 /nfs/dbraw/zinc/81/09/63/868810963.db2.gz PESDJWYRKJPXOQ-HNNXBMFYSA-N 1 2 387.471 3.973 20 30 GHEDLO COc1ccc(C[NH+]2CCN([C@H](C#N)C(C)C)CC2)cc1SC(F)(F)F ZINC000744402671 868812180 /nfs/dbraw/zinc/81/21/80/868812180.db2.gz PESDJWYRKJPXOQ-OAHLLOKOSA-N 1 2 387.471 3.973 20 30 GHEDLO COc1cc(C[N@@H+]2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)ccc1C#N ZINC000442884780 868991698 /nfs/dbraw/zinc/99/16/98/868991698.db2.gz KYMWYDSXSRFXDG-IBGZPJMESA-N 1 2 389.455 3.707 20 30 GHEDLO COc1cc(C[N@H+]2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)ccc1C#N ZINC000442884780 868991703 /nfs/dbraw/zinc/99/17/03/868991703.db2.gz KYMWYDSXSRFXDG-IBGZPJMESA-N 1 2 389.455 3.707 20 30 GHEDLO Cc1ccc(O[C@H](C)C(=O)N2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)c(C)c1 ZINC000524591682 869317419 /nfs/dbraw/zinc/31/74/19/869317419.db2.gz POWAUORIALQFEU-WOJBJXKFSA-N 1 2 391.515 3.848 20 30 GHEDLO C[C@H]1CCc2c(sc3nc(C[N@H+](C)Cc4ccc(C#N)cc4)nc(N)c32)C1 ZINC000540078271 870353075 /nfs/dbraw/zinc/35/30/75/870353075.db2.gz LGTLCIXCQOVOEL-ZDUSSCGKSA-N 1 2 377.517 3.902 20 30 GHEDLO C[C@H]1CCc2c(sc3nc(C[N@@H+](C)Cc4ccc(C#N)cc4)nc(N)c32)C1 ZINC000540078271 870353095 /nfs/dbraw/zinc/35/30/95/870353095.db2.gz LGTLCIXCQOVOEL-ZDUSSCGKSA-N 1 2 377.517 3.902 20 30 GHEDLO NC(=[NH+]OCc1nnc(-c2ccccc2)s1)c1ccc(Br)cc1 ZINC000766415160 870725092 /nfs/dbraw/zinc/72/50/92/870725092.db2.gz WMQSBMIYFOHYPZ-UHFFFAOYSA-N 1 2 389.278 3.805 20 30 GHEDLO N#Cc1cnc2cc(Br)ccc2c1NCCc1cn2ccccc2[nH+]1 ZINC001169003846 871090222 /nfs/dbraw/zinc/09/02/22/871090222.db2.gz IXZPUUXVRPZCAL-UHFFFAOYSA-N 1 2 392.260 3.593 20 30 GHEDLO CCCCCCCOC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001193985938 871418116 /nfs/dbraw/zinc/41/81/16/871418116.db2.gz TXTUTHJKLJGFNO-UHFFFAOYSA-N 1 2 378.513 3.594 20 30 GHEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000462033398 871514000 /nfs/dbraw/zinc/51/40/00/871514000.db2.gz VWCBLDJSPQRONC-QZTJIDSGSA-N 1 2 377.488 3.576 20 30 GHEDLO C#CC[N@@H+](CC(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1)Cc1ccccc1 ZINC001194163478 871520858 /nfs/dbraw/zinc/52/08/58/871520858.db2.gz HQZGVOPRIFOKKK-MRXNPFEDSA-N 1 2 390.405 3.898 20 30 GHEDLO C#CC[N@H+](CC(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1)Cc1ccccc1 ZINC001194163478 871520864 /nfs/dbraw/zinc/52/08/64/871520864.db2.gz HQZGVOPRIFOKKK-MRXNPFEDSA-N 1 2 390.405 3.898 20 30 GHEDLO N#CCCn1cc(C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)c(-c2ccccc2)n1 ZINC000093457592 882541666 /nfs/dbraw/zinc/54/16/66/882541666.db2.gz UOOJCBJFYYYRQY-QFIPXVFZSA-N 1 2 388.471 3.743 20 30 GHEDLO N#CCCn1cc(C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)c(-c2ccccc2)n1 ZINC000093457592 882541674 /nfs/dbraw/zinc/54/16/74/882541674.db2.gz UOOJCBJFYYYRQY-QFIPXVFZSA-N 1 2 388.471 3.743 20 30 GHEDLO N#CCCn1cc(C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)c(-c2ccccc2)n1 ZINC000093457593 882541881 /nfs/dbraw/zinc/54/18/81/882541881.db2.gz UOOJCBJFYYYRQY-JOCHJYFZSA-N 1 2 388.471 3.743 20 30 GHEDLO N#CCCn1cc(C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)c(-c2ccccc2)n1 ZINC000093457593 882541885 /nfs/dbraw/zinc/54/18/85/882541885.db2.gz UOOJCBJFYYYRQY-JOCHJYFZSA-N 1 2 388.471 3.743 20 30 GHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@@H](n3cccn3)C2)c1C#N ZINC000463447906 871770765 /nfs/dbraw/zinc/77/07/65/871770765.db2.gz KCYPVXHNZXYQFB-LJQANCHMSA-N 1 2 394.523 3.564 20 30 GHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CC[C@@H](n3cccn3)C2)c1C#N ZINC000463447906 871770776 /nfs/dbraw/zinc/77/07/76/871770776.db2.gz KCYPVXHNZXYQFB-LJQANCHMSA-N 1 2 394.523 3.564 20 30 GHEDLO C#CCOc1ccccc1NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000775606254 871849818 /nfs/dbraw/zinc/84/98/18/871849818.db2.gz MTVVTNOETRLIBU-QGZVFWFLSA-N 1 2 379.460 3.736 20 30 GHEDLO C=CCc1cc(C[NH2+][C@@H](C)c2ncc(Br)cn2)cc(OC)c1O ZINC000552083622 872019383 /nfs/dbraw/zinc/01/93/83/872019383.db2.gz QARGGCBUOZKNON-NSHDSACASA-N 1 2 378.270 3.533 20 30 GHEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)N[C@H]1CCc2cc(C#N)ccc21)c1ccccc1 ZINC000618819271 872027182 /nfs/dbraw/zinc/02/71/82/872027182.db2.gz HLYZKXFISNZGDX-LEWJYISDSA-N 1 2 385.471 3.562 20 30 GHEDLO C[C@@H](C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(C#N)c1 ZINC000463594696 872118218 /nfs/dbraw/zinc/11/82/18/872118218.db2.gz VXRVBWMDNBYGDZ-FGTMMUONSA-N 1 2 377.488 3.910 20 30 GHEDLO C[C@@H](C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(C#N)c1 ZINC000463594696 872118225 /nfs/dbraw/zinc/11/82/25/872118225.db2.gz VXRVBWMDNBYGDZ-FGTMMUONSA-N 1 2 377.488 3.910 20 30 GHEDLO CCc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)o1 ZINC000477997348 872301363 /nfs/dbraw/zinc/30/13/63/872301363.db2.gz CNWRFIDYIHEIBD-OXJNMPFZSA-N 1 2 386.517 3.961 20 30 GHEDLO CCc1ccc([C@H]2C[C@@H](C)CC[N@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)o1 ZINC000477997348 872301385 /nfs/dbraw/zinc/30/13/85/872301385.db2.gz CNWRFIDYIHEIBD-OXJNMPFZSA-N 1 2 386.517 3.961 20 30 GHEDLO C#CC[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000763545924 872515769 /nfs/dbraw/zinc/51/57/69/872515769.db2.gz JMZIKJSEIQUKMN-PCCBWWKXSA-N 1 2 383.442 3.774 20 30 GHEDLO C#CC[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000763545924 872515782 /nfs/dbraw/zinc/51/57/82/872515782.db2.gz JMZIKJSEIQUKMN-PCCBWWKXSA-N 1 2 383.442 3.774 20 30 GHEDLO C=CCn1c(-c2ccc(C)cc2)nn(CN(C)CCCn2cc[nH+]c2)c1=S ZINC000767755765 872812543 /nfs/dbraw/zinc/81/25/43/872812543.db2.gz OQYLFPYJRJQCGE-UHFFFAOYSA-N 1 2 382.537 3.752 20 30 GHEDLO COc1c(C)c[nH+]c(CNC(=O)c2cn(CCCC#N)c3ccccc23)c1C ZINC000767781510 872840669 /nfs/dbraw/zinc/84/06/69/872840669.db2.gz NZDOGFQWWCRQJJ-UHFFFAOYSA-N 1 2 376.460 3.896 20 30 GHEDLO COc1ccc2c(c1)OCC[N@@H+](Cc1ccc(OC)c(OCCCC#N)c1)C2 ZINC000619846349 873071868 /nfs/dbraw/zinc/07/18/68/873071868.db2.gz JABFLQIOMQZTIL-UHFFFAOYSA-N 1 2 382.460 3.781 20 30 GHEDLO COc1ccc2c(c1)OCC[N@H+](Cc1ccc(OC)c(OCCCC#N)c1)C2 ZINC000619846349 873071886 /nfs/dbraw/zinc/07/18/86/873071886.db2.gz JABFLQIOMQZTIL-UHFFFAOYSA-N 1 2 382.460 3.781 20 30 GHEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000768550929 873379951 /nfs/dbraw/zinc/37/99/51/873379951.db2.gz DGFYPOHTHZPFQN-YLJYHZDGSA-N 1 2 395.528 3.987 20 30 GHEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000768550929 873379963 /nfs/dbraw/zinc/37/99/63/873379963.db2.gz DGFYPOHTHZPFQN-YLJYHZDGSA-N 1 2 395.528 3.987 20 30 GHEDLO C#CC[N@@H+](Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000768932024 873699871 /nfs/dbraw/zinc/69/98/71/873699871.db2.gz LEHBTFXIMNKOHD-GOSISDBHSA-N 1 2 391.577 3.610 20 30 GHEDLO C#CC[N@H+](Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000768932024 873699881 /nfs/dbraw/zinc/69/98/81/873699881.db2.gz LEHBTFXIMNKOHD-GOSISDBHSA-N 1 2 391.577 3.610 20 30 GHEDLO C=CCOC(=O)[C@@H](Cc1ccc(OC(C)(C)C)cc1)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC001168101283 873852198 /nfs/dbraw/zinc/85/21/98/873852198.db2.gz IFIBFVVPPXHEJG-XKGZKEIXSA-N 1 2 375.509 3.661 20 30 GHEDLO CC(C)COC[C@H]([NH2+][C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1ccco1 ZINC000541627693 873989307 /nfs/dbraw/zinc/98/93/07/873989307.db2.gz VULAYAMQCQFQFG-DBAFAGGRSA-N 1 2 389.540 3.902 20 30 GHEDLO C=CCN(CCc1ccccc1)C(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000541696007 874112942 /nfs/dbraw/zinc/11/29/42/874112942.db2.gz SPPZUBKNZICVJR-UHFFFAOYSA-N 1 2 386.499 3.690 20 30 GHEDLO C=CCOc1ccc(CC(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cc1 ZINC000448930126 874220345 /nfs/dbraw/zinc/22/03/45/874220345.db2.gz WLUBVIBQSOEPOU-UHFFFAOYSA-N 1 2 379.504 3.886 20 30 GHEDLO C=C[C@@H]1OCC[C@H]1C(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000448955514 874255357 /nfs/dbraw/zinc/25/53/57/874255357.db2.gz YXQTXWINSCVWDS-BEFAXECRSA-N 1 2 391.874 3.686 20 30 GHEDLO NC(=NOCC1CCC(C(F)(F)F)CC1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000769829512 874312494 /nfs/dbraw/zinc/31/24/94/874312494.db2.gz RPAQXQZVIHMFAE-UHFFFAOYSA-N 1 2 399.457 3.524 20 30 GHEDLO CCc1nc(CO[NH+]=C(N)c2ccc(CNC(=O)OC(C)(C)C)cc2)cs1 ZINC000769841692 874321098 /nfs/dbraw/zinc/32/10/98/874321098.db2.gz IOXWMTNMQITWNE-UHFFFAOYSA-N 1 2 390.509 3.567 20 30 GHEDLO C[C@H]1C[C@@H]1c1ccc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)o1 ZINC000508634494 882817606 /nfs/dbraw/zinc/81/76/06/882817606.db2.gz WCPZQZCDFQLZMP-HOCLYGCPSA-N 1 2 378.432 3.845 20 30 GHEDLO CC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000464823589 874582342 /nfs/dbraw/zinc/58/23/42/874582342.db2.gz QOQVCTGZHSKYMF-FCHUYYIVSA-N 1 2 375.472 3.990 20 30 GHEDLO CC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000464823589 874582352 /nfs/dbraw/zinc/58/23/52/874582352.db2.gz QOQVCTGZHSKYMF-FCHUYYIVSA-N 1 2 375.472 3.990 20 30 GHEDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001198861434 874671669 /nfs/dbraw/zinc/67/16/69/874671669.db2.gz CQAPYDXHZBYTPC-SZMVWBNQSA-N 1 2 381.394 3.743 20 30 GHEDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001198861434 874671670 /nfs/dbraw/zinc/67/16/70/874671670.db2.gz CQAPYDXHZBYTPC-SZMVWBNQSA-N 1 2 381.394 3.743 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c(C(F)(F)F)c1 ZINC000449426507 874843444 /nfs/dbraw/zinc/84/34/44/874843444.db2.gz VBULIIYINWEOCY-MOPGFXCFSA-N 1 2 378.369 3.877 20 30 GHEDLO N#Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c(C(F)(F)F)c1 ZINC000449426507 874843458 /nfs/dbraw/zinc/84/34/58/874843458.db2.gz VBULIIYINWEOCY-MOPGFXCFSA-N 1 2 378.369 3.877 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](Cc3ccn(-c4cccc(F)c4)n3)CC2)cc1 ZINC000609145970 874924871 /nfs/dbraw/zinc/92/48/71/874924871.db2.gz FPNCFXYKCGHPKG-UHFFFAOYSA-N 1 2 376.435 3.926 20 30 GHEDLO Cc1cc(Cl)c(C#N)c(NCCSCc2csc(C[NH+](C)C)n2)n1 ZINC001168109845 874951141 /nfs/dbraw/zinc/95/11/41/874951141.db2.gz XTTGKWMQMKVIRJ-UHFFFAOYSA-N 1 2 381.958 3.779 20 30 GHEDLO CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000776077661 875308699 /nfs/dbraw/zinc/30/86/99/875308699.db2.gz PGRSHRWSAIJIEN-HXUWFJFHSA-N 1 2 386.455 3.958 20 30 GHEDLO COCc1cccc(CO[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)c1 ZINC000746558228 876215153 /nfs/dbraw/zinc/21/51/53/876215153.db2.gz JMZQXDTZBBESHU-UHFFFAOYSA-N 1 2 377.444 3.644 20 30 GHEDLO N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CCn4c[nH+]cc4C3)cc2F)c1 ZINC000152127323 876923822 /nfs/dbraw/zinc/92/38/22/876923822.db2.gz UTQQULHUKUNBQM-KRWDZBQOSA-N 1 2 390.418 3.674 20 30 GHEDLO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(Oc3ccccc3C#N)c2c1C ZINC000068045485 877794576 /nfs/dbraw/zinc/79/45/76/877794576.db2.gz JUMPQEFWLNVDGJ-UHFFFAOYSA-N 1 2 396.472 3.902 20 30 GHEDLO N#Cc1ccccc1COc1cccc(C[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)c1 ZINC000130801742 877958777 /nfs/dbraw/zinc/95/87/77/877958777.db2.gz PWTHBDZGVRIDQR-JOCHJYFZSA-N 1 2 389.430 3.593 20 30 GHEDLO CCO[C@H]1CC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1C ZINC000451542108 878111173 /nfs/dbraw/zinc/11/11/73/878111173.db2.gz MZCFJOZTLKZLGA-PBHICJAKSA-N 1 2 375.538 3.574 20 30 GHEDLO CCO[C@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1C ZINC000451542108 878111174 /nfs/dbraw/zinc/11/11/74/878111174.db2.gz MZCFJOZTLKZLGA-PBHICJAKSA-N 1 2 375.538 3.574 20 30 GHEDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000615836002 878152633 /nfs/dbraw/zinc/15/26/33/878152633.db2.gz FPKGRSMSFORFJO-PTNGSMBKSA-N 1 2 393.447 3.557 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCSC[C@H]1C1CC1 ZINC000451658486 878304644 /nfs/dbraw/zinc/30/46/44/878304644.db2.gz XSVWJTHNEZAOQW-PBHICJAKSA-N 1 2 375.563 3.704 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCSC[C@H]1C1CC1 ZINC000451658486 878304649 /nfs/dbraw/zinc/30/46/49/878304649.db2.gz XSVWJTHNEZAOQW-PBHICJAKSA-N 1 2 375.563 3.704 20 30 GHEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000068408353 878509088 /nfs/dbraw/zinc/50/90/88/878509088.db2.gz ZGBSOTUVZOHJLW-QGZVFWFLSA-N 1 2 391.450 3.694 20 30 GHEDLO C=CC[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000493157341 878628998 /nfs/dbraw/zinc/62/89/98/878628998.db2.gz PPESVSKZVWDWPD-CQSZACIVSA-N 1 2 398.854 3.973 20 30 GHEDLO C=CC[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000493157341 878629004 /nfs/dbraw/zinc/62/90/04/878629004.db2.gz PPESVSKZVWDWPD-CQSZACIVSA-N 1 2 398.854 3.973 20 30 GHEDLO C=CC[NH+]1CCN(C(=O)[C@H](c2ccc(Br)cc2)C2CCC2)CC1 ZINC001183316048 912420054 /nfs/dbraw/zinc/42/00/54/912420054.db2.gz JSTSBPKKPXXCFG-SFHVURJKSA-N 1 2 377.326 3.663 20 30 GHEDLO C=CCCC[C@H](C)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000538366204 879363015 /nfs/dbraw/zinc/36/30/15/879363015.db2.gz IZHSIIBLSTUOLZ-ZYSHUDEJSA-N 1 2 379.932 3.756 20 30 GHEDLO C=CCCC[C@H](C)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000538366204 879363032 /nfs/dbraw/zinc/36/30/32/879363032.db2.gz IZHSIIBLSTUOLZ-ZYSHUDEJSA-N 1 2 379.932 3.756 20 30 GHEDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)[C@H](C)CO1 ZINC000854302740 879707232 /nfs/dbraw/zinc/70/72/32/879707232.db2.gz FYFZNPRVAYRLOY-HMFYCAOWSA-N 1 2 392.503 3.573 20 30 GHEDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)[C@H](C)CO1 ZINC000854302740 879707245 /nfs/dbraw/zinc/70/72/45/879707245.db2.gz FYFZNPRVAYRLOY-HMFYCAOWSA-N 1 2 392.503 3.573 20 30 GHEDLO Cc1ccc(C#N)cc1S(=O)(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000790424265 879708233 /nfs/dbraw/zinc/70/82/33/879708233.db2.gz ROVRXJJBDHXMQS-UHFFFAOYSA-N 1 2 393.468 3.834 20 30 GHEDLO Cn1c[nH+]cc1CNC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000854498521 879855187 /nfs/dbraw/zinc/85/51/87/879855187.db2.gz HGJCEUDLPOHFMH-UHFFFAOYSA-N 1 2 383.267 3.640 20 30 GHEDLO C#CCC1(O)CC[NH+](Cc2cc(Br)ccc2Br)CC1 ZINC001183498753 912593424 /nfs/dbraw/zinc/59/34/24/912593424.db2.gz IVFFWXZUNZTRTR-UHFFFAOYSA-N 1 2 387.115 3.562 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000453459584 880958698 /nfs/dbraw/zinc/95/86/98/880958698.db2.gz CGXFQISOLFAKIN-PXNSSMCTSA-N 1 2 399.514 3.556 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CCC[C@@H]3c3ccccc3)CC2)cc1 ZINC000609546876 883339566 /nfs/dbraw/zinc/33/95/66/883339566.db2.gz ULQNGCWITXYPSH-PKTZIBPZSA-N 1 2 388.515 3.722 20 30 GHEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000508642536 883505017 /nfs/dbraw/zinc/50/50/17/883505017.db2.gz ADHCIBJXKVOKOT-HNQUOIGGSA-N 1 2 378.407 3.781 20 30 GHEDLO CC(C)(C#N)c1ccc(NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)cc1 ZINC000193055367 884026856 /nfs/dbraw/zinc/02/68/56/884026856.db2.gz RRXGAUKQBZVGPS-UHFFFAOYSA-N 1 2 392.503 3.716 20 30 GHEDLO COc1ccccc1C[NH+]1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000102794649 884447211 /nfs/dbraw/zinc/44/72/11/884447211.db2.gz JZLBHXKTRKZFBX-UHFFFAOYSA-N 1 2 384.867 3.570 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)NCc1ccc(OC(F)F)cc1 ZINC001183839113 912842859 /nfs/dbraw/zinc/84/28/59/912842859.db2.gz QKTBYTQKVCKKJI-FQEVSTJZSA-N 1 2 399.441 3.831 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(OC(F)F)cc1 ZINC001183839113 912842880 /nfs/dbraw/zinc/84/28/80/912842880.db2.gz QKTBYTQKVCKKJI-FQEVSTJZSA-N 1 2 399.441 3.831 20 30 GHEDLO O[C@@]1(C(F)(F)F)CC[N@H+](Cc2ncc(C(F)(F)F)cc2Cl)CC[C@@H]1F ZINC001142539156 884611727 /nfs/dbraw/zinc/61/17/27/884611727.db2.gz VLPSNGKQMLABNV-RYUDHWBXSA-N 1 2 394.718 3.981 20 30 GHEDLO O[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ncc(C(F)(F)F)cc2Cl)CC[C@@H]1F ZINC001142539156 884611732 /nfs/dbraw/zinc/61/17/32/884611732.db2.gz VLPSNGKQMLABNV-RYUDHWBXSA-N 1 2 394.718 3.981 20 30 GHEDLO Cc1oc(NC(=O)C[N@H+](CCc2ccccc2)Cc2cccnc2)c(C#N)c1C ZINC000191346120 884862941 /nfs/dbraw/zinc/86/29/41/884862941.db2.gz MRNKOTBFOCYGFZ-UHFFFAOYSA-N 1 2 388.471 3.847 20 30 GHEDLO Cc1oc(NC(=O)C[N@@H+](CCc2ccccc2)Cc2cccnc2)c(C#N)c1C ZINC000191346120 884862955 /nfs/dbraw/zinc/86/29/55/884862955.db2.gz MRNKOTBFOCYGFZ-UHFFFAOYSA-N 1 2 388.471 3.847 20 30 GHEDLO COc1ccc(C)cc1NC(=O)[C@@H](C)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104714056 885573905 /nfs/dbraw/zinc/57/39/05/885573905.db2.gz QKKRMQHPQHTXBM-QGZVFWFLSA-N 1 2 393.487 3.746 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc(Cl)cc(Cl)c1)C2 ZINC001275287124 913000636 /nfs/dbraw/zinc/00/06/36/913000636.db2.gz LNWGYJVIJWSEGW-IBGZPJMESA-N 1 2 383.319 3.620 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cc(Cl)cc(Cl)c1)C2 ZINC001275287124 913000650 /nfs/dbraw/zinc/00/06/50/913000650.db2.gz LNWGYJVIJWSEGW-IBGZPJMESA-N 1 2 383.319 3.620 20 30 GHEDLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@H](Oc2ccccc2C#N)C(C)C)c1C ZINC000195007318 886080018 /nfs/dbraw/zinc/08/00/18/886080018.db2.gz IYJYMYOOQUCWAD-HXUWFJFHSA-N 1 2 381.476 3.641 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000108532767 886082688 /nfs/dbraw/zinc/08/26/88/886082688.db2.gz PANUUFJWACFHBL-OAHLLOKOSA-N 1 2 383.521 3.835 20 30 GHEDLO COc1c(C)c[nH+]c(CN(C)C(=O)NCCSCc2ccccc2C#N)c1C ZINC000195127798 886454415 /nfs/dbraw/zinc/45/44/15/886454415.db2.gz OFQXQDLJFJTEIP-UHFFFAOYSA-N 1 2 398.532 3.654 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N(C)Cc2cn3c([nH+]2)CCCC3)c1 ZINC000429550910 886687154 /nfs/dbraw/zinc/68/71/54/886687154.db2.gz WNJDZUMDDLSHFI-IBGZPJMESA-N 1 2 393.535 3.603 20 30 GHEDLO Fc1ccc(C(F)(F)F)c(Br)c1C=NNCCCn1cc[nH+]c1 ZINC000863125940 886883339 /nfs/dbraw/zinc/88/33/39/886883339.db2.gz BJOGXJBMSDLVRE-UHFFFAOYSA-N 1 2 393.182 3.817 20 30 GHEDLO C#CCOc1cccc(-c2noc(Cn3c(C)[nH+]c4cc(F)c(F)cc43)n2)c1 ZINC000809342391 887309765 /nfs/dbraw/zinc/30/97/65/887309765.db2.gz VVOQVGRRDWIGTD-UHFFFAOYSA-N 1 2 380.354 3.733 20 30 GHEDLO Nc1nc(Cl)c(C=[NH+]Nc2cccc(C(F)(F)F)c2)c(N2CCCC2)n1 ZINC000863950844 887480008 /nfs/dbraw/zinc/48/00/08/887480008.db2.gz QZLADIIUIRKAJQ-UHFFFAOYSA-N 1 2 384.793 3.777 20 30 GHEDLO Nc1nc(Cl)c(C=[NH+]Nc2ccccc2Br)c(N2CCCC2)n1 ZINC000863968594 887489537 /nfs/dbraw/zinc/48/95/37/887489537.db2.gz WCNMLVHYMPBNCR-UHFFFAOYSA-N 1 2 395.692 3.521 20 30 GHEDLO CCOc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3cccc(C#N)c3O)CC2)cc1 ZINC000866245057 888797282 /nfs/dbraw/zinc/79/72/82/888797282.db2.gz IJLAKMOKKOVAMO-INIZCTEOSA-N 1 2 393.487 3.618 20 30 GHEDLO Cc1cc(C)c(CNC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c[nH+]1 ZINC000454422406 889041690 /nfs/dbraw/zinc/04/16/90/889041690.db2.gz CBNPZHWCBHZZPU-UHFFFAOYSA-N 1 2 378.354 3.833 20 30 GHEDLO COc1ccc(N2CC[NH+](Cc3ccc(C#N)cc3C(F)(F)F)CC2)cc1 ZINC000811453339 889612593 /nfs/dbraw/zinc/61/25/93/889612593.db2.gz KHRHEKMAWJKSQE-UHFFFAOYSA-N 1 2 375.394 3.908 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000454727688 889632137 /nfs/dbraw/zinc/63/21/37/889632137.db2.gz KZNYFJXVGZVZFG-ZUXXIDCJSA-N 1 2 378.879 3.606 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000454727688 889632143 /nfs/dbraw/zinc/63/21/43/889632143.db2.gz KZNYFJXVGZVZFG-ZUXXIDCJSA-N 1 2 378.879 3.606 20 30 GHEDLO C#C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccc(Cl)cc1 ZINC000811858743 890052517 /nfs/dbraw/zinc/05/25/17/890052517.db2.gz NNZVCSWGBUCXRG-LJQANCHMSA-N 1 2 382.895 3.899 20 30 GHEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(C(=O)OC(C)(C)C)CC1 ZINC000533262628 890160640 /nfs/dbraw/zinc/16/06/40/890160640.db2.gz GORKMVDWUBINEL-CYBMUJFWSA-N 1 2 391.899 3.592 20 30 GHEDLO C[N@H+](Cc1cn2ccccc2c1C#N)[C@H](CO)c1cccc(Br)c1 ZINC000125810863 890169692 /nfs/dbraw/zinc/16/96/92/890169692.db2.gz BMDDFTOQOPTZDX-LJQANCHMSA-N 1 2 384.277 3.739 20 30 GHEDLO C[N@@H+](Cc1cn2ccccc2c1C#N)[C@H](CO)c1cccc(Br)c1 ZINC000125810863 890169698 /nfs/dbraw/zinc/16/96/98/890169698.db2.gz BMDDFTOQOPTZDX-LJQANCHMSA-N 1 2 384.277 3.739 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)[C@H]1CCCc2c1cnn2C ZINC000246300223 890969375 /nfs/dbraw/zinc/96/93/75/890969375.db2.gz PRFFHJWEEWVCCE-YJBOKZPZSA-N 1 2 397.548 3.620 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@H]1CCCc2c1cnn2C ZINC000246300223 890969382 /nfs/dbraw/zinc/96/93/82/890969382.db2.gz PRFFHJWEEWVCCE-YJBOKZPZSA-N 1 2 397.548 3.620 20 30 GHEDLO CO[C@]1(C(F)(F)F)CCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000614925050 891604127 /nfs/dbraw/zinc/60/41/27/891604127.db2.gz TUOTXQQGHQDIBP-CQSZACIVSA-N 1 2 377.204 3.864 20 30 GHEDLO CO[C@]1(C(F)(F)F)CCC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000614925050 891604134 /nfs/dbraw/zinc/60/41/34/891604134.db2.gz TUOTXQQGHQDIBP-CQSZACIVSA-N 1 2 377.204 3.864 20 30 GHEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000497623909 892001191 /nfs/dbraw/zinc/00/11/91/892001191.db2.gz PIVBPECGZXLKQU-UHFFFAOYSA-N 1 2 392.507 3.938 20 30 GHEDLO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1ccccc1C(=O)c1ccc(C)c(C)c1 ZINC000729809205 892221566 /nfs/dbraw/zinc/22/15/66/892221566.db2.gz JGUNQHYFNIIBFR-HXUWFJFHSA-N 1 2 375.468 3.789 20 30 GHEDLO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1ccccc1C(=O)c1ccc(C)c(C)c1 ZINC000729809205 892221585 /nfs/dbraw/zinc/22/15/85/892221585.db2.gz JGUNQHYFNIIBFR-HXUWFJFHSA-N 1 2 375.468 3.789 20 30 GHEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cnn(Cc4ccccc4)c3Cl)C2)nc1 ZINC000814171976 892366726 /nfs/dbraw/zinc/36/67/26/892366726.db2.gz VOOIOPFLRMDTLP-IBGZPJMESA-N 1 2 393.878 3.505 20 30 GHEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cnn(Cc4ccccc4)c3Cl)C2)nc1 ZINC000814171976 892366739 /nfs/dbraw/zinc/36/67/39/892366739.db2.gz VOOIOPFLRMDTLP-IBGZPJMESA-N 1 2 393.878 3.505 20 30 GHEDLO CCCCNc1[nH+]c2ccccc2n1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000875933472 892875561 /nfs/dbraw/zinc/87/55/61/892875561.db2.gz PHPUXFGGEOKILD-GOSISDBHSA-N 1 2 378.476 3.754 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCC(Oc3cncc(Cl)n3)CC2)c(OC(F)F)c1 ZINC000778187171 893126190 /nfs/dbraw/zinc/12/61/90/893126190.db2.gz XWSKNYBGQUTBKK-UHFFFAOYSA-N 1 2 394.809 3.646 20 30 GHEDLO Cn1cnc2c1[C@H](COCC1CCCC1)C[N@H+](Cc1ccc(OCC#N)cc1)C2 ZINC001137116927 893501514 /nfs/dbraw/zinc/50/15/14/893501514.db2.gz VOYOPZRINDWYAG-FQEVSTJZSA-N 1 2 394.519 3.629 20 30 GHEDLO Cn1cnc2c1[C@H](COCC1CCCC1)C[N@@H+](Cc1ccc(OCC#N)cc1)C2 ZINC001137116927 893501534 /nfs/dbraw/zinc/50/15/34/893501534.db2.gz VOYOPZRINDWYAG-FQEVSTJZSA-N 1 2 394.519 3.629 20 30 GHEDLO N#Cc1ccnc(N2CC[NH+](Cc3cnc(CCc4ccccc4)s3)CC2)c1 ZINC000556140078 893884608 /nfs/dbraw/zinc/88/46/08/893884608.db2.gz WBUXZKUFPZRCOP-UHFFFAOYSA-N 1 2 389.528 3.517 20 30 GHEDLO CC[NH+](CC)Cc1csc(NC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)n1 ZINC000918560679 893980735 /nfs/dbraw/zinc/98/07/35/893980735.db2.gz WPCZNHWMQXGCGU-SFHVURJKSA-N 1 2 386.521 3.899 20 30 GHEDLO CC(=O)[C@@](C#N)(CC[N@@H+](C)[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000878271297 894145190 /nfs/dbraw/zinc/14/51/90/894145190.db2.gz DARAPQCTZSIYBV-ZEQRLZLVSA-N 1 2 375.516 3.633 20 30 GHEDLO CC(=O)[C@@](C#N)(CC[N@H+](C)[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000878271297 894145195 /nfs/dbraw/zinc/14/51/95/894145195.db2.gz DARAPQCTZSIYBV-ZEQRLZLVSA-N 1 2 375.516 3.633 20 30 GHEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(Oc2ccc(F)cc2)c2ccncc12 ZINC000565712418 895828944 /nfs/dbraw/zinc/82/89/44/895828944.db2.gz WJRWROCKSHAEBZ-QGZVFWFLSA-N 1 2 394.450 3.784 20 30 GHEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(Oc2ccc(F)cc2)c2ccncc12 ZINC000565712418 895828951 /nfs/dbraw/zinc/82/89/51/895828951.db2.gz WJRWROCKSHAEBZ-QGZVFWFLSA-N 1 2 394.450 3.784 20 30 GHEDLO C=CCn1c(-c2ccccc2F)nn(CN(C)CCCn2cc[nH+]c2)c1=S ZINC000130614029 897161194 /nfs/dbraw/zinc/16/11/94/897161194.db2.gz KEAPSHUTDXQBIW-UHFFFAOYSA-N 1 2 386.500 3.582 20 30 GHEDLO C#CCOc1ccc(Br)cc1C[NH2+]Cc1cc(F)cnc1Cl ZINC001202602738 898253975 /nfs/dbraw/zinc/25/39/75/898253975.db2.gz MHWDXXKRCPEPSB-UHFFFAOYSA-N 1 2 383.648 3.938 20 30 GHEDLO CCOc1cc(F)c(Br)cc1NC(=[NH2+])c1ccc(C(=O)OC)cc1 ZINC001170989039 898430915 /nfs/dbraw/zinc/43/09/15/898430915.db2.gz IYHXRWUSCAEASI-UHFFFAOYSA-N 1 2 395.228 3.811 20 30 GHEDLO C=CC[N@@H+](Cc1ccc(N(C)Cc2cccs2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000823414589 898989916 /nfs/dbraw/zinc/98/99/16/898989916.db2.gz VIPWSIUSJRHUFL-LJQANCHMSA-N 1 2 390.574 3.560 20 30 GHEDLO C=CC[N@H+](Cc1ccc(N(C)Cc2cccs2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000823414589 898989925 /nfs/dbraw/zinc/98/99/25/898989925.db2.gz VIPWSIUSJRHUFL-LJQANCHMSA-N 1 2 390.574 3.560 20 30 GHEDLO N#CCCN(C(=O)C[NH+]1CCC(Oc2cncc(Cl)c2)CC1)c1ccccc1 ZINC000570695391 899515057 /nfs/dbraw/zinc/51/50/57/899515057.db2.gz UCKAKRVTWKWAFH-UHFFFAOYSA-N 1 2 398.894 3.525 20 30 GHEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCc3c(F)ccc(F)c3C1)CCC2 ZINC000333104963 899964806 /nfs/dbraw/zinc/96/48/06/899964806.db2.gz WBJOSCVWOBUDHO-UHFFFAOYSA-N 1 2 387.455 3.774 20 30 GHEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCc3c(F)ccc(F)c3C1)CCC2 ZINC000333104963 899964815 /nfs/dbraw/zinc/96/48/15/899964815.db2.gz WBJOSCVWOBUDHO-UHFFFAOYSA-N 1 2 387.455 3.774 20 30 GHEDLO CCOC(=O)N1CC[NH+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000216429852 900346146 /nfs/dbraw/zinc/34/61/46/900346146.db2.gz KPRPBZXZMGPLQC-UHFFFAOYSA-N 1 2 377.488 3.660 20 30 GHEDLO C=C(C)CN1CC2(C[NH+](CC(C)(C)Sc3ccc(Cl)cc3)C2)OCC1=O ZINC001275515271 914471393 /nfs/dbraw/zinc/47/13/93/914471393.db2.gz JGZATRRNGVMLJZ-UHFFFAOYSA-N 1 2 394.968 3.700 20 30 GHEDLO COc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3OC)CC2)c(F)c1F ZINC001143914983 900754624 /nfs/dbraw/zinc/75/46/24/900754624.db2.gz PAPWBUAMRIYVET-UHFFFAOYSA-N 1 2 388.414 3.897 20 30 GHEDLO N#Cc1csc(C[NH2+][C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)n1 ZINC000575977392 901547281 /nfs/dbraw/zinc/54/72/81/901547281.db2.gz BYIFWMKEUWOXIG-CYBMUJFWSA-N 1 2 381.288 3.607 20 30 GHEDLO C[C@@H]1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)C[C@@H]1n1cc[nH+]c1 ZINC000123082881 901895515 /nfs/dbraw/zinc/89/55/15/901895515.db2.gz ASAKOOGQYRWDNZ-APWZRJJASA-N 1 2 390.443 3.650 20 30 GHEDLO CC[C@@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@H](C)[S@]1=O ZINC000576504219 902063866 /nfs/dbraw/zinc/06/38/66/902063866.db2.gz SCTNRJHVIZFVQB-WFMHVWNISA-N 1 2 382.529 3.869 20 30 GHEDLO CC[C@@H]1C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@H](C)[S@]1=O ZINC000576504219 902063872 /nfs/dbraw/zinc/06/38/72/902063872.db2.gz SCTNRJHVIZFVQB-WFMHVWNISA-N 1 2 382.529 3.869 20 30 GHEDLO CC(C)Oc1c(F)cc(Br)cc1NC(=[NH2+])c1ccc(C(N)=O)cc1 ZINC001171260061 903379986 /nfs/dbraw/zinc/37/99/86/903379986.db2.gz CUNXMHIBEBNYDV-UHFFFAOYSA-N 1 2 394.244 3.511 20 30 GHEDLO N#Cc1cccc(-c2nnc(C[NH+]3CCC(Oc4cncc(Cl)c4)CC3)o2)c1 ZINC000578023343 903453265 /nfs/dbraw/zinc/45/32/65/903453265.db2.gz UYVBLKLNPDAMBW-UHFFFAOYSA-N 1 2 395.850 3.700 20 30 GHEDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC001147578748 903827208 /nfs/dbraw/zinc/82/72/08/903827208.db2.gz PJSHIYMQLPCQMC-YTFSRNRJSA-N 1 2 389.499 3.568 20 30 GHEDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC001147578748 903827218 /nfs/dbraw/zinc/82/72/18/903827218.db2.gz PJSHIYMQLPCQMC-YTFSRNRJSA-N 1 2 389.499 3.568 20 30 GHEDLO CC(C)[N@H+](CC(=O)c1ccccc1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172988844 906053347 /nfs/dbraw/zinc/05/33/47/906053347.db2.gz DRHIUHWEEMRXKQ-OALUTQOASA-N 1 2 385.508 3.871 20 30 GHEDLO CC(C)[N@@H+](CC(=O)c1ccccc1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172988844 906053353 /nfs/dbraw/zinc/05/33/53/906053353.db2.gz DRHIUHWEEMRXKQ-OALUTQOASA-N 1 2 385.508 3.871 20 30 GHEDLO COC(=O)[C@H](Cc1ccc(Br)cc1)[NH2+]C1CCC(CC#N)CC1 ZINC001173327755 906374251 /nfs/dbraw/zinc/37/42/51/906374251.db2.gz IQUOKKBOTPVZSM-IMRCBTMISA-N 1 2 379.298 3.595 20 30 GHEDLO CCCCCCCCc1nnc(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)s1 ZINC000779393072 906694519 /nfs/dbraw/zinc/69/45/19/906694519.db2.gz RLMBGYGIRVEFAK-CQSZACIVSA-N 1 2 376.530 3.774 20 30 GHEDLO CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3ccc(F)cc3C#N)c[nH+]2)CC1 ZINC001174454601 907061297 /nfs/dbraw/zinc/06/12/97/907061297.db2.gz ONMBUYTUWCDHII-UHFFFAOYSA-N 1 2 397.454 3.893 20 30 GHEDLO CCC[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)Cc1ccc(F)cc1 ZINC000299373635 921305514 /nfs/dbraw/zinc/30/55/14/921305514.db2.gz LNJPRZKWUIVSCK-GOSISDBHSA-N 1 2 392.434 3.563 20 30 GHEDLO CCC[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)Cc1ccc(F)cc1 ZINC000299373635 921305515 /nfs/dbraw/zinc/30/55/15/921305515.db2.gz LNJPRZKWUIVSCK-GOSISDBHSA-N 1 2 392.434 3.563 20 30 GHEDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000366093784 921306121 /nfs/dbraw/zinc/30/61/21/921306121.db2.gz JASLBZOZXYDEMV-KXBFYZLASA-N 1 2 397.548 3.756 20 30 GHEDLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000366093784 921306123 /nfs/dbraw/zinc/30/61/23/921306123.db2.gz JASLBZOZXYDEMV-KXBFYZLASA-N 1 2 397.548 3.756 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@H+](Cc3nc(Br)cs3)CC2)C1=O ZINC001276014322 921309157 /nfs/dbraw/zinc/30/91/57/921309157.db2.gz IJJRGJAMCZQMCP-QGZVFWFLSA-N 1 2 398.370 3.686 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+](Cc3nc(Br)cs3)CC2)C1=O ZINC001276014322 921309158 /nfs/dbraw/zinc/30/91/58/921309158.db2.gz IJJRGJAMCZQMCP-QGZVFWFLSA-N 1 2 398.370 3.686 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[NH+](Cc2ccc(Nc3ncccc3C#N)cc2)CC1 ZINC001176040936 907899089 /nfs/dbraw/zinc/89/90/89/907899089.db2.gz XXPUXGIETRKYEY-UHFFFAOYSA-N 1 2 393.491 3.750 20 30 GHEDLO C[N@H+](CC(=O)NCC#N)Cc1ccc(Cl)cc1Oc1ccc(Cl)cc1 ZINC001176253915 908025048 /nfs/dbraw/zinc/02/50/48/908025048.db2.gz RVOOIGLDJJFYIA-UHFFFAOYSA-N 1 2 378.259 3.857 20 30 GHEDLO C[N@@H+](CC(=O)NCC#N)Cc1ccc(Cl)cc1Oc1ccc(Cl)cc1 ZINC001176253915 908025066 /nfs/dbraw/zinc/02/50/66/908025066.db2.gz RVOOIGLDJJFYIA-UHFFFAOYSA-N 1 2 378.259 3.857 20 30 GHEDLO CCC[C@H](C(=O)OCC)[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001176691474 908213928 /nfs/dbraw/zinc/21/39/28/908213928.db2.gz WEPPCKCSIKIRMO-KXUCPTDWSA-N 1 2 397.306 3.821 20 30 GHEDLO CCC[C@H](C(=O)OCC)[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001176691474 908213937 /nfs/dbraw/zinc/21/39/37/908213937.db2.gz WEPPCKCSIKIRMO-KXUCPTDWSA-N 1 2 397.306 3.821 20 30 GHEDLO N#Cc1ccc(CC2CCN(C(=O)[C@@H]3CCCN(c4cccc[nH+]4)C3)CC2)cc1 ZINC001176960416 908329452 /nfs/dbraw/zinc/32/94/52/908329452.db2.gz DHSDNMHHOFVNKM-JOCHJYFZSA-N 1 2 388.515 3.651 20 30 GHEDLO N#Cc1ccc(NC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)c(OC(F)(F)F)c1 ZINC001176966236 908332334 /nfs/dbraw/zinc/33/23/34/908332334.db2.gz YSLWXKQPTCSZNH-AWEZNQCLSA-N 1 2 390.365 3.707 20 30 GHEDLO C[C@@H](CC#N)N(C)Cc1cc(Br)ccc1C[N@H+](C)[C@@H](C)CC#N ZINC000192074333 908715127 /nfs/dbraw/zinc/71/51/27/908715127.db2.gz MKGIXIXYDVYFQN-GJZGRUSLSA-N 1 2 377.330 3.917 20 30 GHEDLO C[C@@H](CC#N)N(C)Cc1cc(Br)ccc1C[N@@H+](C)[C@@H](C)CC#N ZINC000192074333 908715137 /nfs/dbraw/zinc/71/51/37/908715137.db2.gz MKGIXIXYDVYFQN-GJZGRUSLSA-N 1 2 377.330 3.917 20 30 GHEDLO C=CCCOCC[NH2+]Cc1csc(N(C(C)=O)c2ccc(F)cc2F)n1 ZINC000638812279 910241660 /nfs/dbraw/zinc/24/16/60/910241660.db2.gz VDOPWUPQHACPGJ-UHFFFAOYSA-N 1 2 381.448 3.788 20 30 GHEDLO C[NH+](C)[C@@H](CNC(=O)Cc1ccccc1C#N)c1ccc(Cl)cc1Cl ZINC001181803924 910992842 /nfs/dbraw/zinc/99/28/42/910992842.db2.gz FZOUSTFSPPPGLU-SFHVURJKSA-N 1 2 376.287 3.827 20 30 GHEDLO N#CCCCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(Br)s1 ZINC001275985554 920764347 /nfs/dbraw/zinc/76/43/47/920764347.db2.gz BJNGZIUOHHOAOF-KRWDZBQOSA-N 1 2 396.354 3.771 20 30 GHEDLO N#CCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(Br)s1 ZINC001275985554 920764357 /nfs/dbraw/zinc/76/43/57/920764357.db2.gz BJNGZIUOHHOAOF-KRWDZBQOSA-N 1 2 396.354 3.771 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(Cc3nnc(-c4ccc(Cl)cc4)o3)CC2)cc1 ZINC000298698358 920822679 /nfs/dbraw/zinc/82/26/79/920822679.db2.gz FKNCBAHPHYCZKA-UHFFFAOYSA-N 1 2 393.878 3.579 20 30 GHEDLO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)c1 ZINC000298864186 921004518 /nfs/dbraw/zinc/00/45/18/921004518.db2.gz PVIPPPPCPFXNKE-UYAOXDASSA-N 1 2 386.455 3.657 20 30 GHEDLO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)c1 ZINC000298864186 921004533 /nfs/dbraw/zinc/00/45/33/921004533.db2.gz PVIPPPPCPFXNKE-UYAOXDASSA-N 1 2 386.455 3.657 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000368792948 922878080 /nfs/dbraw/zinc/87/80/80/922878080.db2.gz REIDVIKMJUOSGD-SJLPKXTDSA-N 1 2 387.549 3.910 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000368792948 922878085 /nfs/dbraw/zinc/87/80/85/922878085.db2.gz REIDVIKMJUOSGD-SJLPKXTDSA-N 1 2 387.549 3.910 20 30 GHEDLO N#CCc1ccc(OCc2cccc(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)c2)cc1 ZINC000368973325 923026321 /nfs/dbraw/zinc/02/63/21/923026321.db2.gz JUQGJSQQGJKGCE-LJQANCHMSA-N 1 2 386.455 3.729 20 30 GHEDLO N#CC1(c2ccccn2)CC[NH+]([C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC000369202804 923202807 /nfs/dbraw/zinc/20/28/07/923202807.db2.gz ALRLKAJSMXHLTO-GOSISDBHSA-N 1 2 398.869 3.537 20 30 GHEDLO CC[N@@H+]1CC[C@@H](NC(=O)N2CCC(C)(C#N)CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000370336197 924043867 /nfs/dbraw/zinc/04/38/67/924043867.db2.gz XXXJPQMEPKICFY-SJLPKXTDSA-N 1 2 394.441 3.574 20 30 GHEDLO CC[N@H+]1CC[C@@H](NC(=O)N2CCC(C)(C#N)CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000370336197 924043870 /nfs/dbraw/zinc/04/38/70/924043870.db2.gz XXXJPQMEPKICFY-SJLPKXTDSA-N 1 2 394.441 3.574 20 30 GHEDLO C=C[C@@](C)(CCOC)C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000682079320 926003786 /nfs/dbraw/zinc/00/37/86/926003786.db2.gz UDTVRGYPZABPNY-IBGZPJMESA-N 1 2 384.442 3.578 20 30 GHEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)Nc1cc(NC(C)=O)ccc1OC ZINC000411140161 926117529 /nfs/dbraw/zinc/11/75/29/926117529.db2.gz SOIDOONCNLRVFW-CQSZACIVSA-N 1 2 387.505 3.730 20 30 GHEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)Nc1cc(NC(C)=O)ccc1OC ZINC000411140161 926117536 /nfs/dbraw/zinc/11/75/36/926117536.db2.gz SOIDOONCNLRVFW-CQSZACIVSA-N 1 2 387.505 3.730 20 30 GHEDLO CSc1cccc(NC(=O)[C@H](C)[NH+]2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000373861067 926502588 /nfs/dbraw/zinc/50/25/88/926502588.db2.gz WOPIIBCJTLTGCF-INIZCTEOSA-N 1 2 380.517 3.688 20 30 GHEDLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)CC(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000749542541 927179624 /nfs/dbraw/zinc/17/96/24/927179624.db2.gz FWEPZLAYVDVGSA-MEGCXXLRSA-N 1 2 378.520 3.610 20 30 GHEDLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)CC(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000749542541 927179631 /nfs/dbraw/zinc/17/96/31/927179631.db2.gz FWEPZLAYVDVGSA-MEGCXXLRSA-N 1 2 378.520 3.610 20 30 GHEDLO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000752007861 928548222 /nfs/dbraw/zinc/54/82/22/928548222.db2.gz SZWGOLIOJCBJIN-FCHUYYIVSA-N 1 2 385.471 3.854 20 30 GHEDLO N#CCc1ccc(C[NH+]2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000544061890 928752892 /nfs/dbraw/zinc/75/28/92/928752892.db2.gz IQFFXMHQKVDJJS-UHFFFAOYSA-N 1 2 387.405 3.729 20 30 GHEDLO COc1ccc(CN(c2cc[nH+]cc2)S(=O)(=O)CC2(C#N)CCCC2)cc1 ZINC000544724312 929502305 /nfs/dbraw/zinc/50/23/05/929502305.db2.gz DVSWIOSKBKJHBO-UHFFFAOYSA-N 1 2 385.489 3.511 20 30 GHEDLO CC[N@H+](C)[C@H](C(=O)OCCOc1c(C#N)cnc2ccccc21)c1ccccc1 ZINC000780340313 930454053 /nfs/dbraw/zinc/45/40/53/930454053.db2.gz QMNKPWGPKYLPTK-NRFANRHFSA-N 1 2 389.455 3.721 20 30 GHEDLO CC[N@@H+](C)[C@H](C(=O)OCCOc1c(C#N)cnc2ccccc21)c1ccccc1 ZINC000780340313 930454057 /nfs/dbraw/zinc/45/40/57/930454057.db2.gz QMNKPWGPKYLPTK-NRFANRHFSA-N 1 2 389.455 3.721 20 30 GHEDLO Cc1noc(C)c1CO[C@H]1CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000547294418 930890342 /nfs/dbraw/zinc/89/03/42/930890342.db2.gz RSHIPNLSPHYEJP-INIZCTEOSA-N 1 2 377.391 3.556 20 30 GHEDLO Cc1noc(C)c1CO[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000547294418 930890348 /nfs/dbraw/zinc/89/03/48/930890348.db2.gz RSHIPNLSPHYEJP-INIZCTEOSA-N 1 2 377.391 3.556 20 30 GHEDLO S=C1N=NC(SCc2ccccc2)N1N=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000783817752 931666504 /nfs/dbraw/zinc/66/65/04/931666504.db2.gz YUKPBYZNDYMGGH-UHFFFAOYSA-N 1 2 398.542 3.989 20 30 GHEDLO C[C@@H]1CN(c2ccc([NH2+]C3CCN(c4ccc(C#N)cc4)CC3)cc2)CCO1 ZINC000796925468 932111237 /nfs/dbraw/zinc/11/12/37/932111237.db2.gz JUDAEZSASXIICH-GOSISDBHSA-N 1 2 376.504 3.864 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=S)Nc2ccccc2C#N)[C@@H](C)C1 ZINC000799509141 933021617 /nfs/dbraw/zinc/02/16/17/933021617.db2.gz SEMHECIMJKCIDN-KRWDZBQOSA-N 1 2 394.544 3.860 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=S)Nc2ccccc2C#N)[C@@H](C)C1 ZINC000799509141 933021622 /nfs/dbraw/zinc/02/16/22/933021622.db2.gz SEMHECIMJKCIDN-KRWDZBQOSA-N 1 2 394.544 3.860 20 30 GHEDLO CCC(CC)[C@@H]1C[C@@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])CCO1 ZINC000777872607 933799460 /nfs/dbraw/zinc/79/94/60/933799460.db2.gz XSGYTUHNVOWNFR-JXFKEZNVSA-N 1 2 396.535 3.630 20 30 GHEDLO C=CCNc1ncc(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)s1 ZINC001119588837 934370671 /nfs/dbraw/zinc/37/06/71/934370671.db2.gz SMZAAEFYCJKZJX-UHFFFAOYSA-N 1 2 396.520 3.856 20 30 GHEDLO N#Cc1csc(CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)n1 ZINC000931091224 934372783 /nfs/dbraw/zinc/37/27/83/934372783.db2.gz NPJRHJCZYWTOCW-UHFFFAOYSA-N 1 2 378.461 3.536 20 30 GHEDLO C=CCn1c([C@@H](C)CCC#N)nnc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001121501701 934676477 /nfs/dbraw/zinc/67/64/77/934676477.db2.gz BVQSGGZOYICPRR-KRWDZBQOSA-N 1 2 398.942 3.847 20 30 GHEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@]2(C1)CCCOC2 ZINC001121581638 934705236 /nfs/dbraw/zinc/70/52/36/934705236.db2.gz PDLHHMYVNWMRAV-XXBNENTESA-N 1 2 395.551 3.664 20 30 GHEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@]2(C1)CCCOC2 ZINC001121581638 934705240 /nfs/dbraw/zinc/70/52/40/934705240.db2.gz PDLHHMYVNWMRAV-XXBNENTESA-N 1 2 395.551 3.664 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@@H](C/C=C/C)C1 ZINC001121584820 934707565 /nfs/dbraw/zinc/70/75/65/934707565.db2.gz YCSZJIGAGLNMFU-MEDHRJKHSA-N 1 2 382.556 3.740 20 30 GHEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N(C)Cc1cscn1 ZINC001121681598 934736828 /nfs/dbraw/zinc/73/68/28/934736828.db2.gz CJBKCLPUYCFSFZ-MRXNPFEDSA-N 1 2 382.537 3.750 20 30 GHEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N(C)Cc1cscn1 ZINC001121681598 934736831 /nfs/dbraw/zinc/73/68/31/934736831.db2.gz CJBKCLPUYCFSFZ-MRXNPFEDSA-N 1 2 382.537 3.750 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCCC2(CCOCC2)C1 ZINC001121690020 934739941 /nfs/dbraw/zinc/73/99/41/934739941.db2.gz KKZYLPIQKLKUNG-LJQANCHMSA-N 1 2 398.555 3.693 20 30 GHEDLO CCS[C@@H]1CC[C@@H](N(C)c2nnc(C3CC[NH+](CCC#N)CC3)n2CC)C1 ZINC001121800989 934767917 /nfs/dbraw/zinc/76/79/17/934767917.db2.gz MGSFSOYGVCLGNN-QZTJIDSGSA-N 1 2 390.601 3.501 20 30 GHEDLO C=C(C)CN(CC)c1nnc([C@@H](CC(C)C)n2cc[nH+]c2)n1C[C@@H]1CCOC1 ZINC001123097558 935077736 /nfs/dbraw/zinc/07/77/36/935077736.db2.gz CGZQMKXSEOMWEE-RBUKOAKNSA-N 1 2 386.544 3.549 20 30 GHEDLO C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC[N@@H+]2Cc2ccccc2)n1CC1CC1 ZINC001123582867 935229832 /nfs/dbraw/zinc/22/98/32/935229832.db2.gz UFMMISRELNBBFU-PXNSSMCTSA-N 1 2 378.524 3.764 20 30 GHEDLO C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC[N@H+]2Cc2ccccc2)n1CC1CC1 ZINC001123582867 935229834 /nfs/dbraw/zinc/22/98/34/935229834.db2.gz UFMMISRELNBBFU-PXNSSMCTSA-N 1 2 378.524 3.764 20 30 GHEDLO CN(C[C@@H]1CC=CCC1)c1nnc(C2CC[NH+](CCC#N)CC2)n1CC1CC1 ZINC001123729401 935270096 /nfs/dbraw/zinc/27/00/96/935270096.db2.gz PTNSWYRFAJNGLA-GOSISDBHSA-N 1 2 382.556 3.574 20 30 GHEDLO CC(C)Cc1ccc(C(=O)C2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCC3)CC2)cc1 ZINC000469121968 1016519057 /nfs/dbraw/zinc/51/90/57/1016519057.db2.gz XYKZIXUOTCVHGC-GOSISDBHSA-N 1 2 395.547 3.731 20 30 GHEDLO CC(C)(Cc1ccc(C#N)cc1)NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000928703375 1017554980 /nfs/dbraw/zinc/55/49/80/1017554980.db2.gz ZOXLWOUBIWNTOT-UHFFFAOYSA-N 1 2 387.487 3.618 20 30 GHEDLO N#CC[C@H](CC(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1)c1ccccc1 ZINC000600678725 1020208821 /nfs/dbraw/zinc/20/88/21/1020208821.db2.gz TXSCRMBPUVLFEY-HXUWFJFHSA-N 1 2 386.499 3.900 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@H+]2C[C@H](CC)O[C@]3(CCOC3)C2)cc1OC ZINC000628256149 1020684636 /nfs/dbraw/zinc/68/46/36/1020684636.db2.gz LBOYDCSBXCEVJE-OXJNMPFZSA-N 1 2 381.900 3.683 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@@H+]2C[C@H](CC)O[C@]3(CCOC3)C2)cc1OC ZINC000628256149 1020684640 /nfs/dbraw/zinc/68/46/40/1020684640.db2.gz LBOYDCSBXCEVJE-OXJNMPFZSA-N 1 2 381.900 3.683 20 30 GHEDLO N#Cc1ccccc1N1CC[NH+](Cc2c[nH]c3ncc(Br)cc23)CC1 ZINC001140458257 1021747859 /nfs/dbraw/zinc/74/78/59/1021747859.db2.gz QIPGHENVAIQRNX-UHFFFAOYSA-N 1 2 396.292 3.519 20 30 GHEDLO COCCOc1cccc(N2CC[NH+](Cc3cc(C#N)ccc3Cl)CC2)c1 ZINC001140603868 1022054878 /nfs/dbraw/zinc/05/48/78/1022054878.db2.gz GVORVKKIQAQERL-UHFFFAOYSA-N 1 2 385.895 3.559 20 30 GHEDLO COCCOc1ccccc1N1CC[NH+](Cc2cccc(C#N)c2Cl)CC1 ZINC001140814076 1022612906 /nfs/dbraw/zinc/61/29/06/1022612906.db2.gz BLZMNGBQZMVZOR-UHFFFAOYSA-N 1 2 385.895 3.559 20 30 GHEDLO C#CCCCCCC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000754518591 1022751441 /nfs/dbraw/zinc/75/14/41/1022751441.db2.gz YKLDXOPQCXWBFQ-UHFFFAOYSA-N 1 2 376.298 3.648 20 30 GHEDLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+](Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141106575 1023514766 /nfs/dbraw/zinc/51/47/66/1023514766.db2.gz CLXDCZGTIUOIPP-NSHDSACASA-N 1 2 384.933 3.544 20 30 GHEDLO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+](Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141106575 1023514777 /nfs/dbraw/zinc/51/47/77/1023514777.db2.gz CLXDCZGTIUOIPP-NSHDSACASA-N 1 2 384.933 3.544 20 30 GHEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H]2OCCC[C@@]2(COc2ncccc2F)C1 ZINC001141164932 1023993271 /nfs/dbraw/zinc/99/32/71/1023993271.db2.gz NJORPSVUKBHMDW-UNMCSNQZSA-N 1 2 399.441 3.682 20 30 GHEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H]2OCCC[C@@]2(COc2ncccc2F)C1 ZINC001141164932 1023993274 /nfs/dbraw/zinc/99/32/74/1023993274.db2.gz NJORPSVUKBHMDW-UNMCSNQZSA-N 1 2 399.441 3.682 20 30 GHEDLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C#N)ccc1F ZINC000830867354 1024202489 /nfs/dbraw/zinc/20/24/89/1024202489.db2.gz ILIJGASTYGRETI-OPAMFIHVSA-N 1 2 394.494 3.774 20 30 GHEDLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C#N)ccc1F ZINC000830867354 1024202497 /nfs/dbraw/zinc/20/24/97/1024202497.db2.gz ILIJGASTYGRETI-OPAMFIHVSA-N 1 2 394.494 3.774 20 30 GHEDLO CC(C)NC(=O)c1noc2c1C[N@H+](Cc1ccc(C#Cc3ccccc3)cc1)CC2 ZINC001138335850 1024698292 /nfs/dbraw/zinc/69/82/92/1024698292.db2.gz DFTJEWNFCOHWJJ-UHFFFAOYSA-N 1 2 399.494 3.771 20 30 GHEDLO CC(C)NC(=O)c1noc2c1C[N@@H+](Cc1ccc(C#Cc3ccccc3)cc1)CC2 ZINC001138335850 1024698295 /nfs/dbraw/zinc/69/82/95/1024698295.db2.gz DFTJEWNFCOHWJJ-UHFFFAOYSA-N 1 2 399.494 3.771 20 30 GHEDLO C#CCOc1ccc(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)NC(C)(C)C)cc1 ZINC001138558050 1025019722 /nfs/dbraw/zinc/01/97/22/1025019722.db2.gz YBKPQJHNVRSJLR-QFIPXVFZSA-N 1 2 376.500 3.540 20 30 GHEDLO C#CCOc1ccc(C[N@@H+]2Cc3ccccc3C[C@H]2C(=O)NC(C)(C)C)cc1 ZINC001138558050 1025019732 /nfs/dbraw/zinc/01/97/32/1025019732.db2.gz YBKPQJHNVRSJLR-QFIPXVFZSA-N 1 2 376.500 3.540 20 30 GHEDLO C[C@@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccc(N2CCCCC2=O)cc1 ZINC000839016064 1025520216 /nfs/dbraw/zinc/52/02/16/1025520216.db2.gz WCMGZUYTDFDARC-OAHLLOKOSA-N 1 2 378.432 3.834 20 30 GHEDLO C=CCc1cc(C(=O)N2CC3(CC[N@@H+]3Cc3ccccc3)C2)cc(OC)c1OC ZINC001162793245 1025919551 /nfs/dbraw/zinc/91/95/51/1025919551.db2.gz AHJYJNGJPRKARE-UHFFFAOYSA-N 1 2 392.499 3.533 20 30 GHEDLO C=CCc1cc(C(=O)N2CC3(CC[N@H+]3Cc3ccccc3)C2)cc(OC)c1OC ZINC001162793245 1025919552 /nfs/dbraw/zinc/91/95/52/1025919552.db2.gz AHJYJNGJPRKARE-UHFFFAOYSA-N 1 2 392.499 3.533 20 30 GHEDLO C=CCOC[C@@H]1C[N@@H+](Cc2c[nH]c3cccc(C)c23)Cc2nnn(CC3CC3)c21 ZINC001139195715 1026036626 /nfs/dbraw/zinc/03/66/26/1026036626.db2.gz UYQHATREXMPOGG-IBGZPJMESA-N 1 2 391.519 3.780 20 30 GHEDLO C=CCOC[C@@H]1C[N@H+](Cc2c[nH]c3cccc(C)c23)Cc2nnn(CC3CC3)c21 ZINC001139195715 1026036647 /nfs/dbraw/zinc/03/66/47/1026036647.db2.gz UYQHATREXMPOGG-IBGZPJMESA-N 1 2 391.519 3.780 20 30 GHEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000839668973 1026187470 /nfs/dbraw/zinc/18/74/70/1026187470.db2.gz ALVPUCXTCBHKDX-XLIONFOSSA-N 1 2 386.492 3.606 20 30 GHEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000839668973 1026187481 /nfs/dbraw/zinc/18/74/81/1026187481.db2.gz ALVPUCXTCBHKDX-XLIONFOSSA-N 1 2 386.492 3.606 20 30 GHEDLO Cc1cccc(N2CCN(C(F)(F)c3cc(Cl)nc(Cl)c3C#N)CC2)[nH+]1 ZINC001163659093 1026270033 /nfs/dbraw/zinc/27/00/33/1026270033.db2.gz HVRWNSRWRTUXDD-UHFFFAOYSA-N 1 2 398.244 3.835 20 30 GHEDLO Cc1ccc(N2CC[NH+](Cc3ccc(Oc4ccc(C#N)cc4)nc3)CC2)nc1 ZINC001139425836 1026296922 /nfs/dbraw/zinc/29/69/22/1026296922.db2.gz WRKOWVFHBAHCAY-UHFFFAOYSA-N 1 2 385.471 3.771 20 30 GHEDLO COC[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)Cc2cn(CC3CCCC3)nc21 ZINC001139526690 1026384454 /nfs/dbraw/zinc/38/44/54/1026384454.db2.gz GCWKNWLQBRRZQW-FQEVSTJZSA-N 1 2 382.483 3.830 20 30 GHEDLO COC[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)Cc2cn(CC3CCCC3)nc21 ZINC001139526690 1026384469 /nfs/dbraw/zinc/38/44/69/1026384469.db2.gz GCWKNWLQBRRZQW-FQEVSTJZSA-N 1 2 382.483 3.830 20 30 GHEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)C2(CCC2)[C@@H]1c1ccccc1 ZINC000839979665 1026387822 /nfs/dbraw/zinc/38/78/22/1026387822.db2.gz FYRMJUVFFXHHFQ-QFIPXVFZSA-N 1 2 389.499 3.718 20 30 GHEDLO COCC[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)C2(CCC2)[C@@H]1c1ccccc1 ZINC000839979665 1026387829 /nfs/dbraw/zinc/38/78/29/1026387829.db2.gz FYRMJUVFFXHHFQ-QFIPXVFZSA-N 1 2 389.499 3.718 20 30 GHEDLO CCOC[C@H]1C[N@H+](Cc2c[nH]c3c2cccc3C#N)Cc2nn(CC3CC3)cc21 ZINC001139704173 1026548672 /nfs/dbraw/zinc/54/86/72/1026548672.db2.gz SXGCMISPGJSXPI-LJQANCHMSA-N 1 2 389.503 3.782 20 30 GHEDLO CCOC[C@H]1C[N@@H+](Cc2c[nH]c3c2cccc3C#N)Cc2nn(CC3CC3)cc21 ZINC001139704173 1026548680 /nfs/dbraw/zinc/54/86/80/1026548680.db2.gz SXGCMISPGJSXPI-LJQANCHMSA-N 1 2 389.503 3.782 20 30 GHEDLO Cc1ccc(C[N@@H+]2CCc3c(COCc4ccccn4)cncc3C2)cc1C#N ZINC001139725129 1026568627 /nfs/dbraw/zinc/56/86/27/1026568627.db2.gz DLSWSQHJHURHKE-UHFFFAOYSA-N 1 2 384.483 3.932 20 30 GHEDLO Cc1ccc(C[N@H+]2CCc3c(COCc4ccccn4)cncc3C2)cc1C#N ZINC001139725129 1026568632 /nfs/dbraw/zinc/56/86/32/1026568632.db2.gz DLSWSQHJHURHKE-UHFFFAOYSA-N 1 2 384.483 3.932 20 30 GHEDLO Cc1cc(N2CC[NH+](Cc3cc(F)cc(C#N)c3)CC2)n(-c2ccccc2)n1 ZINC001139875905 1026691890 /nfs/dbraw/zinc/69/18/90/1026691890.db2.gz GRFXXZJLZMPUCZ-UHFFFAOYSA-N 1 2 375.451 3.514 20 30 GHEDLO N#Cc1cc(Cl)c(Cl)nc1N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001165691469 1026798527 /nfs/dbraw/zinc/79/85/27/1026798527.db2.gz KFNLRPQGFCGTAP-ZDUSSCGKSA-N 1 2 392.290 3.520 20 30 GHEDLO Cc1cccc(N2CCC[C@@]3(C2)CN(c2[nH+]ccc4[nH]cc(C#N)c42)CCO3)c1 ZINC001165743551 1026815752 /nfs/dbraw/zinc/81/57/52/1026815752.db2.gz DYFDKGUJGRTAHR-HSZRJFAPSA-N 1 2 387.487 3.619 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2c[nH]c3ccc(C#N)cc23)CCC1(F)F ZINC001140116654 1026898509 /nfs/dbraw/zinc/89/85/09/1026898509.db2.gz CPBTZPNZGPKXKW-QGZVFWFLSA-N 1 2 390.434 3.774 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)CCC1(F)F ZINC001140116654 1026898515 /nfs/dbraw/zinc/89/85/15/1026898515.db2.gz CPBTZPNZGPKXKW-QGZVFWFLSA-N 1 2 390.434 3.774 20 30 GHEDLO CSc1cc[nH+]c(N2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)c1 ZINC001166455340 1027005770 /nfs/dbraw/zinc/00/57/70/1027005770.db2.gz CAUMOHUHISFOLA-JOCHJYFZSA-N 1 2 394.544 3.799 20 30 GHEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1=S ZINC000840113879 1027216364 /nfs/dbraw/zinc/21/63/64/1027216364.db2.gz GEFVTAIFVQTVRF-QRVBRYPASA-N 1 2 399.564 3.635 20 30 GHEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1=S ZINC000840113879 1027216387 /nfs/dbraw/zinc/21/63/87/1027216387.db2.gz GEFVTAIFVQTVRF-QRVBRYPASA-N 1 2 399.564 3.635 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCc3c(c(COCC4CC4)nn3CC3CC3)C2)cc1 ZINC001203902726 1027695777 /nfs/dbraw/zinc/69/57/77/1027695777.db2.gz KMYOSSCTVFIZRZ-UHFFFAOYSA-N 1 2 376.504 3.650 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCc3c(c(COCC4CC4)nn3CC3CC3)C2)cc1 ZINC001203902726 1027695789 /nfs/dbraw/zinc/69/57/89/1027695789.db2.gz KMYOSSCTVFIZRZ-UHFFFAOYSA-N 1 2 376.504 3.650 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1[nH]cnc1C(C)(C)C)CC2 ZINC001142217262 1028391427 /nfs/dbraw/zinc/39/14/27/1028391427.db2.gz AJKRZHVKZVCVCW-UHFFFAOYSA-N 1 2 383.540 3.575 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1[nH]cnc1C(C)(C)C)CC2 ZINC001142217262 1028391443 /nfs/dbraw/zinc/39/14/43/1028391443.db2.gz AJKRZHVKZVCVCW-UHFFFAOYSA-N 1 2 383.540 3.575 20 30 GHEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3ncc(C(F)(F)F)cc3Cl)CC2)nc1 ZINC001142550927 1029049218 /nfs/dbraw/zinc/04/92/18/1029049218.db2.gz JHLVTZUMTGBFOV-UHFFFAOYSA-N 1 2 395.816 3.733 20 30 GHEDLO N#Cc1ccc(N2CCC[N@H+](Cc3ncc(C(F)(F)F)cc3Cl)CC2)nc1 ZINC001142550927 1029049236 /nfs/dbraw/zinc/04/92/36/1029049236.db2.gz JHLVTZUMTGBFOV-UHFFFAOYSA-N 1 2 395.816 3.733 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(OC)c(O)c1Cl ZINC001276736670 1029582087 /nfs/dbraw/zinc/58/20/87/1029582087.db2.gz XKQKURDKWPWQMO-FQEVSTJZSA-N 1 2 378.900 3.587 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(OC)c(O)c1Cl ZINC001276736670 1029582096 /nfs/dbraw/zinc/58/20/96/1029582096.db2.gz XKQKURDKWPWQMO-FQEVSTJZSA-N 1 2 378.900 3.587 20 30 GHEDLO CCOC[C@@H]1C[N@H+](Cc2c[nH]c3cc(C#N)ccc23)Cc2nn(CC3CC3)cc21 ZINC001142915740 1029687907 /nfs/dbraw/zinc/68/79/07/1029687907.db2.gz FVQGYXDOWCWUPL-IBGZPJMESA-N 1 2 389.503 3.782 20 30 GHEDLO CCOC[C@@H]1C[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)Cc2nn(CC3CC3)cc21 ZINC001142915740 1029687912 /nfs/dbraw/zinc/68/79/12/1029687912.db2.gz FVQGYXDOWCWUPL-IBGZPJMESA-N 1 2 389.503 3.782 20 30 GHEDLO C=CCN1CC[C@]2(CCC[N@@H+](Cc3nc(C)sc3Br)CC2)C1=O ZINC001276992441 1031086083 /nfs/dbraw/zinc/08/60/83/1031086083.db2.gz PXXXKCXJPRBQBA-QGZVFWFLSA-N 1 2 398.370 3.605 20 30 GHEDLO C=CCN1CC[C@]2(CCC[N@H+](Cc3nc(C)sc3Br)CC2)C1=O ZINC001276992441 1031086100 /nfs/dbraw/zinc/08/61/00/1031086100.db2.gz PXXXKCXJPRBQBA-QGZVFWFLSA-N 1 2 398.370 3.605 20 30 GHEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(Cl)cnc1OC(C)C ZINC001276996518 1031118160 /nfs/dbraw/zinc/11/81/60/1031118160.db2.gz KNHWTIYYFHTWHG-QZTJIDSGSA-N 1 2 377.916 3.664 20 30 GHEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Cl)cnc1OC(C)C ZINC001276996518 1031118168 /nfs/dbraw/zinc/11/81/68/1031118168.db2.gz KNHWTIYYFHTWHG-QZTJIDSGSA-N 1 2 377.916 3.664 20 30 GHEDLO C[C@@H](Oc1cccc(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1)[C@H](C)S ZINC001226474128 1031972303 /nfs/dbraw/zinc/97/23/03/1031972303.db2.gz TXTJNUYXVGPCPE-CVEARBPZSA-N 1 2 380.554 3.825 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2c(Cl)cc(OC)cc2OC)C1=O ZINC001277135146 1031994913 /nfs/dbraw/zinc/99/49/13/1031994913.db2.gz DXDHBXAHZKMEQA-HXUWFJFHSA-N 1 2 378.900 3.500 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+]2Cc2c(Cl)cc(OC)cc2OC)C1=O ZINC001277135146 1031994919 /nfs/dbraw/zinc/99/49/19/1031994919.db2.gz DXDHBXAHZKMEQA-HXUWFJFHSA-N 1 2 378.900 3.500 20 30 GHEDLO CCC[C@@H](Oc1nc(C)c(-c2ccc3[nH+]ccn3c2)cc1C#N)C(=O)OCC ZINC001229766985 1033697949 /nfs/dbraw/zinc/69/79/49/1033697949.db2.gz XMHIKBTVUATCCC-GOSISDBHSA-N 1 2 378.432 3.687 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2nc3cc(Cl)nc(Cl)c3[nH]2)C1 ZINC001231050906 1034365696 /nfs/dbraw/zinc/36/56/96/1034365696.db2.gz VKYIGLCHEVPQLZ-CYBMUJFWSA-N 1 2 388.258 3.790 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+](Cc3cc(F)cc(Cl)c3O)CC2)C1=O ZINC001277510849 1034548687 /nfs/dbraw/zinc/54/86/87/1034548687.db2.gz QXPPVZAYOMTENC-FQEVSTJZSA-N 1 2 380.891 3.965 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+](Cc3cc(F)cc(Cl)c3O)CC2)C1=O ZINC001277510849 1034548695 /nfs/dbraw/zinc/54/86/95/1034548695.db2.gz QXPPVZAYOMTENC-FQEVSTJZSA-N 1 2 380.891 3.965 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2c(Br)cccc2OC)C1=O ZINC001277541467 1034762246 /nfs/dbraw/zinc/76/22/46/1034762246.db2.gz YHGWROVKEOSOLA-LJQANCHMSA-N 1 2 393.325 3.601 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+]2Cc2c(Br)cccc2OC)C1=O ZINC001277541467 1034762258 /nfs/dbraw/zinc/76/22/58/1034762258.db2.gz YHGWROVKEOSOLA-LJQANCHMSA-N 1 2 393.325 3.601 20 30 GHEDLO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1nc(Br)ccc1F)CC2 ZINC001231942564 1035000878 /nfs/dbraw/zinc/00/08/78/1035000878.db2.gz LIOIPYYYAIJDIR-SFHVURJKSA-N 1 2 396.304 3.516 20 30 GHEDLO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1nc(Br)ccc1F)CC2 ZINC001231942564 1035000883 /nfs/dbraw/zinc/00/08/83/1035000883.db2.gz LIOIPYYYAIJDIR-SFHVURJKSA-N 1 2 396.304 3.516 20 30 GHEDLO C[C@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[NH2+]CC(F)(F)C1 ZINC001160949121 1035101775 /nfs/dbraw/zinc/10/17/75/1035101775.db2.gz RCYYSNBZPWNFTN-OXQOHEQNSA-N 1 2 383.442 3.893 20 30 GHEDLO CC[N@H+](Cc1cn(Cc2ccc(OC)cc2)nn1)[C@@H](C)c1ccc(C#N)cc1 ZINC001461955538 1069912831 /nfs/dbraw/zinc/91/28/31/1069912831.db2.gz PCIGJLAIZYLILA-KRWDZBQOSA-N 1 2 375.476 3.790 20 30 GHEDLO CC[N@@H+](Cc1cn(Cc2ccc(OC)cc2)nn1)[C@@H](C)c1ccc(C#N)cc1 ZINC001461955538 1069912834 /nfs/dbraw/zinc/91/28/34/1069912834.db2.gz PCIGJLAIZYLILA-KRWDZBQOSA-N 1 2 375.476 3.790 20 30 GHEDLO C[C@H](c1ccccc1)N(C(=O)C[NH2+]CCC#N)[C@H]1CC[C@@H]1OCc1ccccc1 ZINC001161607750 1035271469 /nfs/dbraw/zinc/27/14/69/1035271469.db2.gz IHLOBXSUHIUJLW-OIBXWCBGSA-N 1 2 391.515 3.827 20 30 GHEDLO Cc1cc(-c2noc([C@@H]3[NH2+]CCc4cc(Br)ccc43)n2)ccc1C#N ZINC001248631344 1036009598 /nfs/dbraw/zinc/00/95/98/1036009598.db2.gz VKMLXFHSOHYSOM-QGZVFWFLSA-N 1 2 395.260 3.914 20 30 GHEDLO COCc1c(C)cc(C)c(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1C ZINC001462063526 1069975481 /nfs/dbraw/zinc/97/54/81/1069975481.db2.gz VMQAUIWFYOLVFZ-FXAWDEMLSA-N 1 2 387.524 3.607 20 30 GHEDLO N#Cc1ccc(NC(=S)N2CCC(n3cc[nH+]c3)CC2)cc1C(F)(F)F ZINC001245769287 1036992580 /nfs/dbraw/zinc/99/25/80/1036992580.db2.gz BLXDNOZTFQPQOM-UHFFFAOYSA-N 1 2 379.411 3.807 20 30 GHEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC(F)(F)[C@@]2(CCN(c3ccccn3)C2)C1 ZINC001232891898 1038681878 /nfs/dbraw/zinc/68/18/78/1038681878.db2.gz WAOCEGHKGMIINU-FQEVSTJZSA-N 1 2 386.421 3.830 20 30 GHEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC(F)(F)[C@@]2(CCN(c3ccccn3)C2)C1 ZINC001232891898 1038681880 /nfs/dbraw/zinc/68/18/80/1038681880.db2.gz WAOCEGHKGMIINU-FQEVSTJZSA-N 1 2 386.421 3.830 20 30 GHEDLO N#Cc1ccc(F)cc1CN1CC[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001232892748 1038685835 /nfs/dbraw/zinc/68/58/35/1038685835.db2.gz VZWPMPSXBMCJPF-IBGZPJMESA-N 1 2 377.385 3.946 20 30 GHEDLO N#Cc1ccc(F)cc1CN1CC[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001232892748 1038685839 /nfs/dbraw/zinc/68/58/39/1038685839.db2.gz VZWPMPSXBMCJPF-IBGZPJMESA-N 1 2 377.385 3.946 20 30 GHEDLO N#Cc1cc(C[N@@H+]2CC[C@H](N3Cc4ccccc4C3=O)C2)ccc1Br ZINC001232896650 1038690138 /nfs/dbraw/zinc/69/01/38/1038690138.db2.gz FFACBBPJGLWDOG-KRWDZBQOSA-N 1 2 396.288 3.551 20 30 GHEDLO N#Cc1cc(C[N@H+]2CC[C@H](N3Cc4ccccc4C3=O)C2)ccc1Br ZINC001232896650 1038690142 /nfs/dbraw/zinc/69/01/42/1038690142.db2.gz FFACBBPJGLWDOG-KRWDZBQOSA-N 1 2 396.288 3.551 20 30 GHEDLO Cc1cc(C#N)ccc1C[NH+]1CCN(C(=O)c2ccccc2Br)CC1 ZINC001233082374 1038853713 /nfs/dbraw/zinc/85/37/13/1038853713.db2.gz KJGMMVMLMBGWJU-UHFFFAOYSA-N 1 2 398.304 3.587 20 30 GHEDLO CCCCCCCCCC[C@@H](O)CNc1cnn(CC[NH+]2CCOCC2)c1 ZINC001252979074 1039309123 /nfs/dbraw/zinc/30/91/23/1039309123.db2.gz IRFACJCHHNKLRH-OAQYLSRUSA-N 1 2 380.577 3.519 20 30 GHEDLO N#Cc1cccc(Br)c1OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001233694877 1039544547 /nfs/dbraw/zinc/54/45/47/1039544547.db2.gz NAGMHORUMGZRFQ-QGZVFWFLSA-N 1 2 387.277 3.601 20 30 GHEDLO N#Cc1cccc(Br)c1OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001233694877 1039544563 /nfs/dbraw/zinc/54/45/63/1039544563.db2.gz NAGMHORUMGZRFQ-QGZVFWFLSA-N 1 2 387.277 3.601 20 30 GHEDLO CCCCCCCCCCCC[C@H](O)CN[C@@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001253565319 1039706364 /nfs/dbraw/zinc/70/63/64/1039706364.db2.gz MFHWWMVZBJAOFI-SFTDATJTSA-N 1 2 395.588 3.766 20 30 GHEDLO CC(C)(C)OC(=O)N1CCc2nc(C[N@H+]3[C@@H]4CC[C@H]3C[C@H](C#N)C4)sc2C1 ZINC001233941775 1039716638 /nfs/dbraw/zinc/71/66/38/1039716638.db2.gz SLMYHAKWQQYVHO-QKDCVEJESA-N 1 2 388.537 3.703 20 30 GHEDLO CC(C)(C)OC(=O)N1CCc2nc(C[N@@H+]3[C@@H]4CC[C@H]3C[C@H](C#N)C4)sc2C1 ZINC001233941775 1039716658 /nfs/dbraw/zinc/71/66/58/1039716658.db2.gz SLMYHAKWQQYVHO-QKDCVEJESA-N 1 2 388.537 3.703 20 30 GHEDLO COc1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)cc2c1CC[C@@H](c1ccccc1)O2 ZINC001234761337 1040290797 /nfs/dbraw/zinc/29/07/97/1040290797.db2.gz GOXHWAJDORWGKV-HRRRYWIOSA-N 1 2 393.483 3.753 20 30 GHEDLO COc1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)cc2c1CC[C@@H](c1ccccc1)O2 ZINC001234761337 1040290808 /nfs/dbraw/zinc/29/08/08/1040290808.db2.gz GOXHWAJDORWGKV-HRRRYWIOSA-N 1 2 393.483 3.753 20 30 GHEDLO CC(C)(C)OC(=O)N1CC2(C1)C[C@@H]([N@H+](CCC#N)Cc1ccccc1)CS2 ZINC001254697919 1040457738 /nfs/dbraw/zinc/45/77/38/1040457738.db2.gz LDALQLUXUKXDLO-GOSISDBHSA-N 1 2 387.549 3.897 20 30 GHEDLO CC(C)(C)OC(=O)N1CC2(C1)C[C@@H]([N@@H+](CCC#N)Cc1ccccc1)CS2 ZINC001254697919 1040457746 /nfs/dbraw/zinc/45/77/46/1040457746.db2.gz LDALQLUXUKXDLO-GOSISDBHSA-N 1 2 387.549 3.897 20 30 GHEDLO Cc1cc(F)c(C[NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)c(F)c1 ZINC001235198674 1040687076 /nfs/dbraw/zinc/68/70/76/1040687076.db2.gz KXQCBYASINBMNW-UHFFFAOYSA-N 1 2 384.430 3.931 20 30 GHEDLO C=C1CCC(CNC(=O)N(Cc2ccccc2)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001255135220 1040836131 /nfs/dbraw/zinc/83/61/31/1040836131.db2.gz USTSTEZYTRORGD-FQEVSTJZSA-N 1 2 385.552 3.665 20 30 GHEDLO N#Cc1cc(F)c(C[N@@H+]2CCC[C@@]3(C[C@H](OCc4ccncc4)CO3)C2)c(F)c1 ZINC001235653071 1041099836 /nfs/dbraw/zinc/09/98/36/1041099836.db2.gz DLUZALCGKITNGQ-PGRDOPGGSA-N 1 2 399.441 3.572 20 30 GHEDLO N#Cc1cc(F)c(C[N@H+]2CCC[C@@]3(C[C@H](OCc4ccncc4)CO3)C2)c(F)c1 ZINC001235653071 1041099860 /nfs/dbraw/zinc/09/98/60/1041099860.db2.gz DLUZALCGKITNGQ-PGRDOPGGSA-N 1 2 399.441 3.572 20 30 GHEDLO CC(C)(C)OC(=O)NCc1cccc(C[NH+]2CC(Oc3ccccc3C#N)C2)c1 ZINC001235852647 1041377155 /nfs/dbraw/zinc/37/71/55/1041377155.db2.gz QCUWMVSHGRQMHX-UHFFFAOYSA-N 1 2 393.487 3.846 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](F)[C@](O)(C(F)(F)F)CC2)cc1Br ZINC001236858016 1041930884 /nfs/dbraw/zinc/93/08/84/1041930884.db2.gz TZLVKNQBXMKFLZ-KGLIPLIRSA-N 1 2 395.194 3.548 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](F)[C@](O)(C(F)(F)F)CC2)cc1Br ZINC001236858016 1041930886 /nfs/dbraw/zinc/93/08/86/1041930886.db2.gz TZLVKNQBXMKFLZ-KGLIPLIRSA-N 1 2 395.194 3.548 20 30 GHEDLO Cc1ccc(N2C[C@@]3(CC[N@H+](Cc4cc(C#N)c(F)cc4F)C3)CC2=O)s1 ZINC001237525887 1042251494 /nfs/dbraw/zinc/25/14/94/1042251494.db2.gz KPXVABXRTQJRBZ-FQEVSTJZSA-N 1 2 387.455 3.835 20 30 GHEDLO Cc1ccc(N2C[C@@]3(CC[N@@H+](Cc4cc(C#N)c(F)cc4F)C3)CC2=O)s1 ZINC001237525887 1042251497 /nfs/dbraw/zinc/25/14/97/1042251497.db2.gz KPXVABXRTQJRBZ-FQEVSTJZSA-N 1 2 387.455 3.835 20 30 GHEDLO CC(C)(C)OC(=O)N1CC2(C1)CCC[N@H+](Cc1cc(C#N)c(F)cc1F)C2 ZINC001237535292 1042254761 /nfs/dbraw/zinc/25/47/61/1042254761.db2.gz VEHZXXGAKZYAGH-UHFFFAOYSA-N 1 2 377.435 3.669 20 30 GHEDLO CC(C)(C)OC(=O)N1CC2(C1)CCC[N@@H+](Cc1cc(C#N)c(F)cc1F)C2 ZINC001237535292 1042254764 /nfs/dbraw/zinc/25/47/64/1042254764.db2.gz VEHZXXGAKZYAGH-UHFFFAOYSA-N 1 2 377.435 3.669 20 30 GHEDLO N#Cc1ccc2nc(C[N@@H+]3C[C@@H]4C[C@H](c5nc(C6CC6)cs5)O[C@@H]4C3)cn2c1 ZINC001237603476 1042277822 /nfs/dbraw/zinc/27/78/22/1042277822.db2.gz ATTNNMODXOQTKN-KFKAGJAMSA-N 1 2 391.500 3.502 20 30 GHEDLO N#Cc1ccc2nc(C[N@H+]3C[C@@H]4C[C@H](c5nc(C6CC6)cs5)O[C@@H]4C3)cn2c1 ZINC001237603476 1042277826 /nfs/dbraw/zinc/27/78/26/1042277826.db2.gz ATTNNMODXOQTKN-KFKAGJAMSA-N 1 2 391.500 3.502 20 30 GHEDLO CCOc1ccc(C(=O)C2CC[NH+](Cc3cn4cc(C#N)ccc4n3)CC2)cc1 ZINC001237615011 1042282098 /nfs/dbraw/zinc/28/20/98/1042282098.db2.gz SEEJUIGCLBJXHY-UHFFFAOYSA-N 1 2 388.471 3.700 20 30 GHEDLO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cn2cc(C#N)ccc2n1 ZINC001237616707 1042282760 /nfs/dbraw/zinc/28/27/60/1042282760.db2.gz GEVPHODKDCSQBA-NEWSRXKRSA-N 1 2 380.492 3.681 20 30 GHEDLO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cn2cc(C#N)ccc2n1 ZINC001237616707 1042282765 /nfs/dbraw/zinc/28/27/65/1042282765.db2.gz GEVPHODKDCSQBA-NEWSRXKRSA-N 1 2 380.492 3.681 20 30 GHEDLO N#Cc1cc(Cl)cc(C[N@H+]2Cc3cncn3C[C@@H](COc3ccccn3)C2)c1 ZINC001237758066 1042356259 /nfs/dbraw/zinc/35/62/59/1042356259.db2.gz WPGUMECESIKRLD-SFHVURJKSA-N 1 2 393.878 3.514 20 30 GHEDLO N#Cc1cc(Cl)cc(C[N@@H+]2Cc3cncn3C[C@@H](COc3ccccn3)C2)c1 ZINC001237758066 1042356264 /nfs/dbraw/zinc/35/62/64/1042356264.db2.gz WPGUMECESIKRLD-SFHVURJKSA-N 1 2 393.878 3.514 20 30 GHEDLO N#Cc1cccc(N2C[C@]3(CC[N@@H+](Cc4cc(F)cc(Cl)c4O)C3)CC2=O)c1 ZINC001237813146 1042382157 /nfs/dbraw/zinc/38/21/57/1042382157.db2.gz KUNBOPOQMUPDLK-OAQYLSRUSA-N 1 2 399.853 3.685 20 30 GHEDLO N#Cc1cccc(N2C[C@]3(CC[N@H+](Cc4cc(F)cc(Cl)c4O)C3)CC2=O)c1 ZINC001237813146 1042382160 /nfs/dbraw/zinc/38/21/60/1042382160.db2.gz KUNBOPOQMUPDLK-OAQYLSRUSA-N 1 2 399.853 3.685 20 30 GHEDLO Cn1ncc2c1C[N@H+](Cc1ccc(C#N)cc1Cl)C[C@H]2COc1cccnc1 ZINC001238082858 1042485470 /nfs/dbraw/zinc/48/54/70/1042485470.db2.gz OIKURZBMLILZBP-KRWDZBQOSA-N 1 2 393.878 3.519 20 30 GHEDLO Cn1ncc2c1C[N@@H+](Cc1ccc(C#N)cc1Cl)C[C@H]2COc1cccnc1 ZINC001238082858 1042485472 /nfs/dbraw/zinc/48/54/72/1042485472.db2.gz OIKURZBMLILZBP-KRWDZBQOSA-N 1 2 393.878 3.519 20 30 GHEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(OCC)c2Br)C1 ZINC001238689623 1042685598 /nfs/dbraw/zinc/68/55/98/1042685598.db2.gz JOAGSZFSMPEUKC-HNNXBMFYSA-N 1 2 397.313 3.724 20 30 GHEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cccc(OCC)c2Br)C1 ZINC001238689623 1042685601 /nfs/dbraw/zinc/68/56/01/1042685601.db2.gz JOAGSZFSMPEUKC-HNNXBMFYSA-N 1 2 397.313 3.724 20 30 GHEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@H](C)Cc1ccc(C(=O)OCC)cc1 ZINC001257148485 1043898420 /nfs/dbraw/zinc/89/84/20/1043898420.db2.gz KGOBOWQZMMYVOY-GCJKJVERSA-N 1 2 395.499 3.724 20 30 GHEDLO Cc1cc(N2CCSCC2)ccc1[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001261437586 1045998638 /nfs/dbraw/zinc/99/86/38/1045998638.db2.gz GLQLNBBVHXQXLY-UHFFFAOYSA-N 1 2 380.517 3.861 20 30 GHEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@@H]([C@H]2CCCC2(C)C)C1 ZINC001262873948 1046395923 /nfs/dbraw/zinc/39/59/23/1046395923.db2.gz ZDNDSOBUKHBXJM-RTBURBONSA-N 1 2 384.572 3.561 20 30 GHEDLO C=CCN(C)c1nnc(-c2cccc(Cl)c2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001301270583 1046442621 /nfs/dbraw/zinc/44/26/21/1046442621.db2.gz KZSWUVKQPKNFCI-UHFFFAOYSA-N 1 2 382.899 3.730 20 30 GHEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@H]1c1ccc(COC)o1 ZINC001262952421 1046448903 /nfs/dbraw/zinc/44/89/03/1046448903.db2.gz SIAFHMPUOOKQIZ-SFHVURJKSA-N 1 2 385.512 3.531 20 30 GHEDLO C[C@@H](CC#N)N(C)c1nnc(C2CCC2)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001303636274 1047460497 /nfs/dbraw/zinc/46/04/97/1047460497.db2.gz NALXKBVTVBHLRS-KRWDZBQOSA-N 1 2 389.507 3.577 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccsc3)n2CCC(C)(C)C2CC2)CC1 ZINC001286483563 1048336081 /nfs/dbraw/zinc/33/60/81/1048336081.db2.gz PQCGMVWPOGDROT-UHFFFAOYSA-N 1 2 397.592 3.512 20 30 GHEDLO C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1Cc1c[nH+]ccc1OC ZINC001286574244 1048371718 /nfs/dbraw/zinc/37/17/18/1048371718.db2.gz WULHKIYQXRSNRS-UHFFFAOYSA-N 1 2 378.480 3.503 20 30 GHEDLO C=CC1CCN(c2nnc(C3CCCC3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001286661045 1048426727 /nfs/dbraw/zinc/42/67/27/1048426727.db2.gz VXXPIOYZVKWLMX-UHFFFAOYSA-N 1 2 380.540 3.847 20 30 GHEDLO Cc1cccc(C[NH+]2CCN(C(=O)CSc3ccc(C#N)c(C)c3)CC2)c1 ZINC001307362028 1049223129 /nfs/dbraw/zinc/22/31/29/1049223129.db2.gz PSHOIVWWBGJXSP-UHFFFAOYSA-N 1 2 379.529 3.612 20 30 GHEDLO C[C@H](C[N@H+](C)Cc1ccc(Br)cc1C#N)NC(=O)OC(C)(C)C ZINC001307974009 1049733295 /nfs/dbraw/zinc/73/32/95/1049733295.db2.gz LYVSROSSJPEQOP-GFCCVEGCSA-N 1 2 382.302 3.666 20 30 GHEDLO C[C@H](C[N@@H+](C)Cc1ccc(Br)cc1C#N)NC(=O)OC(C)(C)C ZINC001307974009 1049733303 /nfs/dbraw/zinc/73/33/03/1049733303.db2.gz LYVSROSSJPEQOP-GFCCVEGCSA-N 1 2 382.302 3.666 20 30 GHEDLO Cc1cn2c([nH+]1)[C@@H](Cn1c(CC(C)(C)C)nnc1N(C)[C@H](C)CC#N)CCC2 ZINC001290288088 1049791482 /nfs/dbraw/zinc/79/14/82/1049791482.db2.gz WOZXWSVPQIRULK-IAGOWNOFSA-N 1 2 383.544 3.688 20 30 GHEDLO Cc1cn2c([nH+]1)[C@@H](Cn1c(CC(C)C)nnc1N(CCC#N)CC1CC1)CCC2 ZINC001290295289 1049793928 /nfs/dbraw/zinc/79/39/28/1049793928.db2.gz OAHKIBQNZOEJMY-LJQANCHMSA-N 1 2 395.555 3.689 20 30 GHEDLO C#Cc1ccc(CNc2ccc(N3CC[NH+](C)CC3)c(Br)c2)cc1 ZINC001308374879 1049961380 /nfs/dbraw/zinc/96/13/80/1049961380.db2.gz XBGAJMYIGCDALV-UHFFFAOYSA-N 1 2 384.321 3.794 20 30 GHEDLO C[N@@H+](Cc1cccc(F)c1C#N)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001308899906 1050149018 /nfs/dbraw/zinc/14/90/18/1050149018.db2.gz NQAUUKJTYBWYLL-HNNXBMFYSA-N 1 2 383.250 3.876 20 30 GHEDLO C[N@H+](Cc1cccc(F)c1C#N)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001308899906 1050149022 /nfs/dbraw/zinc/14/90/22/1050149022.db2.gz NQAUUKJTYBWYLL-HNNXBMFYSA-N 1 2 383.250 3.876 20 30 GHEDLO N#Cc1c(=O)n(C[NH+]2CCC(c3nc4ccccc4o3)CC2)cc2c1CCCC2 ZINC001327707266 1050258756 /nfs/dbraw/zinc/25/87/56/1050258756.db2.gz CAYXWGSKHXDLHU-UHFFFAOYSA-N 1 2 388.471 3.577 20 30 GHEDLO C=CCO[C@@H]1CC[N@@H+](Cc2ccc(Br)c(Br)c2)C1 ZINC001342324698 1053109021 /nfs/dbraw/zinc/10/90/21/1053109021.db2.gz JMHVQRSYKPKTBV-GFCCVEGCSA-N 1 2 375.104 3.989 20 30 GHEDLO C=CCO[C@@H]1CC[N@H+](Cc2ccc(Br)c(Br)c2)C1 ZINC001342324698 1053109037 /nfs/dbraw/zinc/10/90/37/1053109037.db2.gz JMHVQRSYKPKTBV-GFCCVEGCSA-N 1 2 375.104 3.989 20 30 GHEDLO C=C(C)Cn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC(COC)CC1 ZINC001342672044 1053290622 /nfs/dbraw/zinc/29/06/22/1053290622.db2.gz FNOVZVQOIAAXPU-LJQANCHMSA-N 1 2 397.567 3.910 20 30 GHEDLO C=C(C)Cn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC(COC)CC1 ZINC001342672044 1053290635 /nfs/dbraw/zinc/29/06/35/1053290635.db2.gz FNOVZVQOIAAXPU-LJQANCHMSA-N 1 2 397.567 3.910 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC(OCc2ccccc2)CC1 ZINC001342673861 1053291905 /nfs/dbraw/zinc/29/19/05/1053291905.db2.gz MHFUXVUCRDQGMS-NRFANRHFSA-N 1 2 395.551 3.807 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC(OCc2ccccc2)CC1 ZINC001342673861 1053291915 /nfs/dbraw/zinc/29/19/15/1053291915.db2.gz MHFUXVUCRDQGMS-NRFANRHFSA-N 1 2 395.551 3.807 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC(c2ccc(O)cc2)CC1 ZINC001343458041 1053783425 /nfs/dbraw/zinc/78/34/25/1053783425.db2.gz UVHRWZHSBWLGQT-HXUWFJFHSA-N 1 2 381.524 3.711 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC(c2ccc(O)cc2)CC1 ZINC001343458041 1053783438 /nfs/dbraw/zinc/78/34/38/1053783438.db2.gz UVHRWZHSBWLGQT-HXUWFJFHSA-N 1 2 381.524 3.711 20 30 GHEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC001343458679 1053783962 /nfs/dbraw/zinc/78/39/62/1053783962.db2.gz FSSFMDVNGVYVAQ-LJQANCHMSA-N 1 2 384.572 3.820 20 30 GHEDLO C[C@H](CC#N)OC(=O)c1cccnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001343462838 1053785328 /nfs/dbraw/zinc/78/53/28/1053785328.db2.gz LMHOXTLWFHHYBM-MRXNPFEDSA-N 1 2 398.894 3.516 20 30 GHEDLO C[N@@H+]1CCCC[C@H]1c1nnc(N2CCC[C@@H](CC#N)C2)n1Cc1cccs1 ZINC001343637413 1053941328 /nfs/dbraw/zinc/94/13/28/1053941328.db2.gz VZOCRXJULLJLNF-WMZOPIPTSA-N 1 2 384.553 3.675 20 30 GHEDLO C[N@H+]1CCCC[C@H]1c1nnc(N2CCC[C@@H](CC#N)C2)n1Cc1cccs1 ZINC001343637413 1053941332 /nfs/dbraw/zinc/94/13/32/1053941332.db2.gz VZOCRXJULLJLNF-WMZOPIPTSA-N 1 2 384.553 3.675 20 30 GHEDLO CC(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC(F)(F)CC[C@H]1C ZINC001343677735 1053967628 /nfs/dbraw/zinc/96/76/28/1053967628.db2.gz SDRFMKAOILZZML-MRXNPFEDSA-N 1 2 394.514 3.651 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@@]2(C1)OCc1ccccc12 ZINC001343768997 1054011440 /nfs/dbraw/zinc/01/14/40/1054011440.db2.gz TXFBFKICXRFXMB-REWPJTCUSA-N 1 2 393.535 3.647 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@]2(C1)OCc1ccccc12 ZINC001343768997 1054011452 /nfs/dbraw/zinc/01/14/52/1054011452.db2.gz TXFBFKICXRFXMB-REWPJTCUSA-N 1 2 393.535 3.647 20 30 GHEDLO Cn1cc(-c2ccc(CN3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)cc2)cn1 ZINC001344367561 1054389254 /nfs/dbraw/zinc/38/92/54/1054389254.db2.gz XNLXPVZIQBFNKM-UHFFFAOYSA-N 1 2 385.515 3.667 20 30 GHEDLO Cn1cc(-c2ccc(CN3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)cc2)cn1 ZINC001344367561 1054389265 /nfs/dbraw/zinc/38/92/65/1054389265.db2.gz XNLXPVZIQBFNKM-UHFFFAOYSA-N 1 2 385.515 3.667 20 30 GHEDLO CC(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC2(CCCC2)C1 ZINC001344488624 1054514992 /nfs/dbraw/zinc/51/49/92/1054514992.db2.gz DPHFHLJOJKHZHE-UHFFFAOYSA-N 1 2 384.572 3.798 20 30 GHEDLO C[C@H](C1CC1)N(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1Cc1cccs1 ZINC001344658026 1054642070 /nfs/dbraw/zinc/64/20/70/1054642070.db2.gz YSJIIVXSGWZQTR-MRXNPFEDSA-N 1 2 398.580 3.716 20 30 GHEDLO C=C(C)CN(CC)c1nnc([C@@H](CC(C)C)n2cc[nH+]c2)n1C[C@H]1CCCO1 ZINC001345342605 1054996309 /nfs/dbraw/zinc/99/63/09/1054996309.db2.gz WLXHHBBJVVEVDF-RTBURBONSA-N 1 2 386.544 3.692 20 30 GHEDLO C=C1CCN(c2nnc([C@@H](C)[N@H+](C)Cc3ccccc3)n2C[C@H]2CCOC2)CC1 ZINC001345411740 1055028931 /nfs/dbraw/zinc/02/89/31/1055028931.db2.gz HQOWOLIWDAIKIV-TZIWHRDSSA-N 1 2 395.551 3.664 20 30 GHEDLO C=C1CCN(c2nnc([C@@H](C)[N@@H+](C)Cc3ccccc3)n2C[C@H]2CCOC2)CC1 ZINC001345411740 1055028946 /nfs/dbraw/zinc/02/89/46/1055028946.db2.gz HQOWOLIWDAIKIV-TZIWHRDSSA-N 1 2 395.551 3.664 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3F)n2CC2(CCC)CCC2)CC1 ZINC001300693459 1056894127 /nfs/dbraw/zinc/89/41/27/1056894127.db2.gz YRTWHISCXIAOSS-UHFFFAOYSA-N 1 2 395.526 3.810 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CC(C)(C)C[C@H]1c1ccccc1 ZINC001356152712 1057410318 /nfs/dbraw/zinc/41/03/18/1057410318.db2.gz KUCLJFKHVCLKLR-SFHVURJKSA-N 1 2 376.508 3.766 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC001356209999 1057430061 /nfs/dbraw/zinc/43/00/61/1057430061.db2.gz FQCXWRJJKAQFII-MPGHIAIKSA-N 1 2 383.462 3.790 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC001356209999 1057430067 /nfs/dbraw/zinc/43/00/67/1057430067.db2.gz FQCXWRJJKAQFII-MPGHIAIKSA-N 1 2 383.462 3.790 20 30 GHEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@@H]1c1ccccc1Cl ZINC001338138352 1058421596 /nfs/dbraw/zinc/42/15/96/1058421596.db2.gz JGGKMZANGWSENE-LJQANCHMSA-N 1 2 398.942 3.903 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@@H]1c1ccsc1 ZINC001338995270 1058918224 /nfs/dbraw/zinc/91/82/24/1058918224.db2.gz NCFKQEZXEFVGJD-LJQANCHMSA-N 1 2 396.564 3.960 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC[C@@H](C2CCOCC2)C1 ZINC001339024039 1058929277 /nfs/dbraw/zinc/92/92/77/1058929277.db2.gz VBDBHCKFQBPACO-WOJBJXKFSA-N 1 2 398.555 3.549 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@@H+]2Cc2ccccc2)nnc1N1CC[C@@H](COC)C1 ZINC001339055724 1058941825 /nfs/dbraw/zinc/94/18/25/1058941825.db2.gz GAKKUSPWXSJJIW-NHCUHLMSSA-N 1 2 395.551 3.664 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@H+]2Cc2ccccc2)nnc1N1CC[C@@H](COC)C1 ZINC001339055724 1058941827 /nfs/dbraw/zinc/94/18/27/1058941827.db2.gz GAKKUSPWXSJJIW-NHCUHLMSSA-N 1 2 395.551 3.664 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC(OC2CCC2)CC1 ZINC001339137168 1058976707 /nfs/dbraw/zinc/97/67/07/1058976707.db2.gz SIDCYLZFQPIBHB-HXUWFJFHSA-N 1 2 398.555 3.834 20 30 GHEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+](C)[C@H]2CC[C@@H](SC)C2)c1=S ZINC001339603714 1059338056 /nfs/dbraw/zinc/33/80/56/1059338056.db2.gz DZUXRHZDYMVESU-JKSUJKDBSA-N 1 2 375.567 3.835 20 30 GHEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+](C)[C@H]2CC[C@@H](SC)C2)c1=S ZINC001339603714 1059338079 /nfs/dbraw/zinc/33/80/79/1059338079.db2.gz DZUXRHZDYMVESU-JKSUJKDBSA-N 1 2 375.567 3.835 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC001340733111 1060082763 /nfs/dbraw/zinc/08/27/63/1060082763.db2.gz NGXUMYFZZGJZRD-ZCNNSNEGSA-N 1 2 388.519 3.561 20 30 GHEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCc2ccccc2[C@@H]1C ZINC001342012946 1060995971 /nfs/dbraw/zinc/99/59/71/1060995971.db2.gz OMUYZWXWXKKIDB-DSKINZAPSA-N 1 2 393.535 3.514 20 30 GHEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCc2ccccc2[C@@H]1C ZINC001342012946 1060995986 /nfs/dbraw/zinc/99/59/86/1060995986.db2.gz OMUYZWXWXKKIDB-DSKINZAPSA-N 1 2 393.535 3.514 20 30 GHEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1Cc2ccc(C(C)=O)cc2C1 ZINC001342233062 1061161829 /nfs/dbraw/zinc/16/18/29/1061161829.db2.gz IQTASKHPGLMZBH-UHFFFAOYSA-N 1 2 379.508 3.563 20 30 GHEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)[C@@H](CC#N)c3ccccc3)CC2)cc1 ZINC001456924542 1062920043 /nfs/dbraw/zinc/92/00/43/1062920043.db2.gz RTKWVNSRWVWOJQ-QFIPXVFZSA-N 1 2 376.504 3.535 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(-c4ncco4)cc3F)CC2)c(F)c1 ZINC001459430200 1064097365 /nfs/dbraw/zinc/09/73/65/1064097365.db2.gz GTFAWZNSMXXSKW-UHFFFAOYSA-N 1 2 380.398 3.814 20 30 GHEDLO C[C@@H]([NH2+][C@@H](C)c1nc(-c2nc[nH]n2)no1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001459931098 1064281090 /nfs/dbraw/zinc/28/10/90/1064281090.db2.gz HYAGPYWZHSRJSE-KGLIPLIRSA-N 1 2 385.431 3.805 20 30 GHEDLO C=CC[N@H+](Cc1cccc2nsnc21)[C@H](Cc1ccccc1)C(=O)OCC ZINC001459948782 1064295351 /nfs/dbraw/zinc/29/53/51/1064295351.db2.gz AFFQMDDXGSGXBO-LJQANCHMSA-N 1 2 381.501 3.854 20 30 GHEDLO C=CC[N@@H+](Cc1cccc2nsnc21)[C@H](Cc1ccccc1)C(=O)OCC ZINC001459948782 1064295361 /nfs/dbraw/zinc/29/53/61/1064295361.db2.gz AFFQMDDXGSGXBO-LJQANCHMSA-N 1 2 381.501 3.854 20 30 GHEDLO C=CCn1c([C@@H](C)OC(C)(C)C)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001351948860 1064725939 /nfs/dbraw/zinc/72/59/39/1064725939.db2.gz JGHYTKFOXMGSAD-MRXNPFEDSA-N 1 2 384.528 3.816 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2C[C@H](C)Sc2ccccc2)CC1 ZINC001359029066 1067658358 /nfs/dbraw/zinc/65/83/58/1067658358.db2.gz NYFKEORZYSIEFV-OALUTQOASA-N 1 2 397.592 3.728 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2CC2CC(c3ccccc3)C2)CC1 ZINC001359028770 1067658496 /nfs/dbraw/zinc/65/84/96/1067658496.db2.gz DFKORMHHHZEHAK-YMISUZCDSA-N 1 2 391.563 3.741 20 30 GHEDLO C=CCO[C@H]1CCN(c2nnc(CC(C)C)n2CCCc2cccc(C)[nH+]2)C1 ZINC001359322562 1068032614 /nfs/dbraw/zinc/03/26/14/1068032614.db2.gz YHHKSFAZKMUTPH-FQEVSTJZSA-N 1 2 383.540 3.594 20 30 GHEDLO C[C@@H](CC#N)N(C)c1nnc(C(C)(C)C)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001360466204 1068517699 /nfs/dbraw/zinc/51/76/99/1068517699.db2.gz AXRVTLMTXFVDRU-KRWDZBQOSA-N 1 2 395.555 3.748 20 30 GHEDLO COc1ccc(-c2noc([C@H](C)[NH+]3CCN(c4ccc(C#N)cc4)CC3)n2)cc1 ZINC001460637085 1069045744 /nfs/dbraw/zinc/04/57/44/1069045744.db2.gz LHRVSTRFWUTYED-INIZCTEOSA-N 1 2 389.459 3.500 20 30 GHEDLO CC(C)[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1F ZINC001470738663 1072714375 /nfs/dbraw/zinc/71/43/75/1072714375.db2.gz YGXQUOPLVYEREF-JOCHJYFZSA-N 1 2 394.494 3.922 20 30 GHEDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3c(C)cc(C#N)cc3C)CC2)cc1 ZINC001472476971 1073503683 /nfs/dbraw/zinc/50/36/83/1073503683.db2.gz IRVYYUWMHYVLOG-UHFFFAOYSA-N 1 2 377.488 3.532 20 30 GHEDLO Cc1[nH]c([C@@H]2CCCN2CC(=O)N(CCC#N)c2ccc(C)c(C)c2)[nH+]c1C ZINC001473790559 1074143960 /nfs/dbraw/zinc/14/39/60/1074143960.db2.gz KPXIVVHGGHHLQF-FQEVSTJZSA-N 1 2 379.508 3.727 20 30 GHEDLO C=CCC1(O)CC[NH+]([C@@H](C)C(=O)Nc2nc(-c3ccc(C)cc3)cs2)CC1 ZINC001473808313 1074153913 /nfs/dbraw/zinc/15/39/13/1074153913.db2.gz DGIRXAJRYUCRED-INIZCTEOSA-N 1 2 385.533 3.849 20 30 GHEDLO C#CCOc1cccc(Cl)c1C[NH2+]CC(=O)N1CCCCc2ccccc21 ZINC001474285611 1074325339 /nfs/dbraw/zinc/32/53/39/1074325339.db2.gz MGHFBCZEQNUJKJ-UHFFFAOYSA-N 1 2 382.891 3.811 20 30 GHEDLO COc1cc2ccccc2cc1C[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC001474554807 1074461287 /nfs/dbraw/zinc/46/12/87/1074461287.db2.gz OCKVFQUUBUSIRC-UHFFFAOYSA-N 1 2 378.501 3.807 20 30 GHEDLO C#Cc1ccc(C[N@@H+]2CC[C@H](c3ccccc3)[C@H](NC(=O)C(F)(F)F)C2)cc1 ZINC001474634962 1074492499 /nfs/dbraw/zinc/49/24/99/1074492499.db2.gz KDAYJQACDJTBPE-WOJBJXKFSA-N 1 2 386.417 3.705 20 30 GHEDLO C#Cc1ccc(C[N@H+]2CC[C@H](c3ccccc3)[C@H](NC(=O)C(F)(F)F)C2)cc1 ZINC001474634962 1074492502 /nfs/dbraw/zinc/49/25/02/1074492502.db2.gz KDAYJQACDJTBPE-WOJBJXKFSA-N 1 2 386.417 3.705 20 30 GHEDLO N#Cc1cc(F)c(NC2CCN(c3cccc[nH+]3)CC2)cc1Br ZINC000581692351 837580451 /nfs/dbraw/zinc/58/04/51/837580451.db2.gz VHLFRTTVKRYVID-UHFFFAOYSA-N 1 2 375.245 3.936 20 30 GHEDLO Cc1cc(F)cc([C@@]2(F)CC[N@H+](CCC(=O)Nc3sccc3C#N)C2)c1 ZINC000548796516 834427747 /nfs/dbraw/zinc/42/77/47/834427747.db2.gz WEQZXGAYJGHASC-LJQANCHMSA-N 1 2 375.444 3.967 20 30 GHEDLO Cc1cc(F)cc([C@@]2(F)CC[N@@H+](CCC(=O)Nc3sccc3C#N)C2)c1 ZINC000548796516 834427753 /nfs/dbraw/zinc/42/77/53/834427753.db2.gz WEQZXGAYJGHASC-LJQANCHMSA-N 1 2 375.444 3.967 20 30 GHEDLO CC[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)CC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000458626902 834809234 /nfs/dbraw/zinc/80/92/34/834809234.db2.gz QEGAXTOOFLVOHJ-SJORKVTESA-N 1 2 380.895 3.853 20 30 GHEDLO CC[N@H+]1CC[C@@H](NC(=O)NCC(C)(C)CC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000458626902 834809239 /nfs/dbraw/zinc/80/92/39/834809239.db2.gz QEGAXTOOFLVOHJ-SJORKVTESA-N 1 2 380.895 3.853 20 30 GHEDLO CC(C)c1nc2ccc(NC(=O)N3C[C@@H]([NH+]4CCOCC4)C[C@@H]3C)cc2s1 ZINC000329374240 834933302 /nfs/dbraw/zinc/93/33/02/834933302.db2.gz NJJZAUNWVGHIST-HOCLYGCPSA-N 1 2 388.537 3.760 20 30 GHEDLO CN(C)C(=O)Sc1cccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c1 ZINC000176909501 835082544 /nfs/dbraw/zinc/08/25/44/835082544.db2.gz BOMIRCCWMQRPRT-UHFFFAOYSA-N 1 2 398.507 3.793 20 30 GHEDLO C[C@@]1(C#N)CCCN(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000612124943 835560744 /nfs/dbraw/zinc/56/07/44/835560744.db2.gz WPIMWKUBWUSLHM-PXNSSMCTSA-N 1 2 392.906 3.779 20 30 GHEDLO C[C@@]1(C#N)CCCN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000612124943 835560748 /nfs/dbraw/zinc/56/07/48/835560748.db2.gz WPIMWKUBWUSLHM-PXNSSMCTSA-N 1 2 392.906 3.779 20 30 GHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H](C#N)CCc1ccccc1 ZINC000433380901 844075545 /nfs/dbraw/zinc/07/55/45/844075545.db2.gz GHBNIBGWZXNSAS-JOCHJYFZSA-N 1 2 390.531 3.919 20 30 GHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000512532118 844078248 /nfs/dbraw/zinc/07/82/48/844078248.db2.gz MABKRQUDGLONFA-MRXNPFEDSA-N 1 2 384.480 3.598 20 30 GHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000512532118 844078254 /nfs/dbraw/zinc/07/82/54/844078254.db2.gz MABKRQUDGLONFA-MRXNPFEDSA-N 1 2 384.480 3.598 20 30 GHEDLO Cc1csc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c1C#N ZINC000573930815 844078532 /nfs/dbraw/zinc/07/85/32/844078532.db2.gz CSTWVKBXIDPASE-CVEARBPZSA-N 1 2 376.432 3.773 20 30 GHEDLO Cc1csc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c1C#N ZINC000573930815 844078539 /nfs/dbraw/zinc/07/85/39/844078539.db2.gz CSTWVKBXIDPASE-CVEARBPZSA-N 1 2 376.432 3.773 20 30 GHEDLO CC(C)n1cc(C#N)c(NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)n1 ZINC000179496785 835736067 /nfs/dbraw/zinc/73/60/67/835736067.db2.gz MRKPVLXIIFOQOM-UHFFFAOYSA-N 1 2 387.487 3.977 20 30 GHEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(Cc2cccc(F)c2F)CC1 ZINC000451961882 836031509 /nfs/dbraw/zinc/03/15/09/836031509.db2.gz UVNZSWQEFVUOCY-UHFFFAOYSA-N 1 2 375.444 3.791 20 30 GHEDLO COc1ccc(F)cc1C[NH+]1CCN(c2c(C#N)cnc3c(C)cccc32)CC1 ZINC000610245480 836296641 /nfs/dbraw/zinc/29/66/41/836296641.db2.gz FTBKTPXINDHVIM-UHFFFAOYSA-N 1 2 390.462 3.885 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)c1C ZINC000065964799 836356630 /nfs/dbraw/zinc/35/66/30/836356630.db2.gz BYIIAVDYCKNZSU-UHFFFAOYSA-N 1 2 385.552 3.635 20 30 GHEDLO CCOc1ccccc1C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000027104380 836359908 /nfs/dbraw/zinc/35/99/08/836359908.db2.gz XSQFNZJGAQGNLH-UHFFFAOYSA-N 1 2 378.432 3.527 20 30 GHEDLO CC(C)(CC#N)C[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F ZINC000414164587 836370564 /nfs/dbraw/zinc/37/05/64/836370564.db2.gz KJEAAQCVZKJVOQ-LJQANCHMSA-N 1 2 392.471 3.987 20 30 GHEDLO CC1(C)C[N@H+](Cc2cc(C#N)ccc2F)CCN1Cc1cc(C#N)ccc1F ZINC000471270187 836658677 /nfs/dbraw/zinc/65/86/77/836658677.db2.gz JTLRLMURXPBOJD-UHFFFAOYSA-N 1 2 380.442 3.805 20 30 GHEDLO CC1(C)C[N@@H+](Cc2cc(C#N)ccc2F)CCN1Cc1cc(C#N)ccc1F ZINC000471270187 836658683 /nfs/dbraw/zinc/65/86/83/836658683.db2.gz JTLRLMURXPBOJD-UHFFFAOYSA-N 1 2 380.442 3.805 20 30 GHEDLO CCOC(=O)Cc1cc[nH+]c(N2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)c1 ZINC001167153625 836676908 /nfs/dbraw/zinc/67/69/08/836676908.db2.gz IGFFZZHYZKAUAM-UHFFFAOYSA-N 1 2 399.878 3.760 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000247104315 836823322 /nfs/dbraw/zinc/82/33/22/836823322.db2.gz WLNOEVFIXLAOJH-RTBURBONSA-N 1 2 386.858 3.595 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)NCc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000247104315 836823329 /nfs/dbraw/zinc/82/33/29/836823329.db2.gz WLNOEVFIXLAOJH-RTBURBONSA-N 1 2 386.858 3.595 20 30 GHEDLO CCOC(=O)[C@@]12Cc3ccccc3[C@@H](CN(c3[nH+]c(C)ccc3CC#N)C1)C2 ZINC001167203461 836892316 /nfs/dbraw/zinc/89/23/16/836892316.db2.gz PPTPPXKYSPZBBF-AUSIDOKSSA-N 1 2 375.472 3.556 20 30 GHEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000186282338 837133896 /nfs/dbraw/zinc/13/38/96/837133896.db2.gz MYGMYSGJTHLHSY-INIZCTEOSA-N 1 2 382.895 3.529 20 30 GHEDLO CCc1ccc(C[NH+]2CCN(C(=O)c3cccc(SCC#N)c3)CC2)s1 ZINC000176063937 837150584 /nfs/dbraw/zinc/15/05/84/837150584.db2.gz UJBQJWJBMVAFBN-UHFFFAOYSA-N 1 2 385.558 3.884 20 30 GHEDLO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000376596779 838424755 /nfs/dbraw/zinc/42/47/55/838424755.db2.gz WWOCXLABNRFZJR-MRXNPFEDSA-N 1 2 382.895 3.928 20 30 GHEDLO NC(Cc1cccnc1)=[NH+]OCc1ncc(-c2ccccc2Br)o1 ZINC000122414468 839528789 /nfs/dbraw/zinc/52/87/89/839528789.db2.gz UYUUTMDFQXOEQI-UHFFFAOYSA-N 1 2 387.237 3.531 20 30 GHEDLO CCC#C[C@@H](C)[NH+]1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC001167912068 844474728 /nfs/dbraw/zinc/47/47/28/844474728.db2.gz MMARAFINHQOYEV-OAHLLOKOSA-N 1 2 392.425 3.675 20 30 GHEDLO CC(C)(C)OC(=O)[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)CCO1 ZINC000610453313 840030324 /nfs/dbraw/zinc/03/03/24/840030324.db2.gz ZZNUDINZDQBYAW-NRFANRHFSA-N 1 2 378.472 3.768 20 30 GHEDLO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)CCO1 ZINC000610453313 840030333 /nfs/dbraw/zinc/03/03/33/840030333.db2.gz ZZNUDINZDQBYAW-NRFANRHFSA-N 1 2 378.472 3.768 20 30 GHEDLO COc1cccc(C=C2CC[NH+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)c1 ZINC000473026673 840819890 /nfs/dbraw/zinc/81/98/90/840819890.db2.gz YELUXFATKDOIBN-HSZRJFAPSA-N 1 2 387.483 3.852 20 30 GHEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000584847410 841061847 /nfs/dbraw/zinc/06/18/47/841061847.db2.gz NEBFBIBUVFMOMO-WBVHZDCISA-N 1 2 394.475 3.556 20 30 GHEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCCc1c(Cl)cccc1Cl ZINC000482173563 842039751 /nfs/dbraw/zinc/03/97/51/842039751.db2.gz XFSRQJGOLGEDJL-AWEZNQCLSA-N 1 2 390.318 3.798 20 30 GHEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CCCc1c(Cl)cccc1Cl ZINC000482173563 842039761 /nfs/dbraw/zinc/03/97/61/842039761.db2.gz XFSRQJGOLGEDJL-AWEZNQCLSA-N 1 2 390.318 3.798 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3CCCCC(F)(F)C3)CC2)cc1 ZINC000581702386 842053465 /nfs/dbraw/zinc/05/34/65/842053465.db2.gz CAFCEWMKTRWOGG-LJQANCHMSA-N 1 2 390.478 3.601 20 30 GHEDLO C[C@H]1C[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)Cc2ccccc2O1 ZINC000429111068 861271892 /nfs/dbraw/zinc/27/18/92/861271892.db2.gz BKKJWMIYGNCXCK-INIZCTEOSA-N 1 2 383.879 3.870 20 30 GHEDLO C[C@H]1C[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)Cc2ccccc2O1 ZINC000429111068 861271901 /nfs/dbraw/zinc/27/19/01/861271901.db2.gz BKKJWMIYGNCXCK-INIZCTEOSA-N 1 2 383.879 3.870 20 30 GHEDLO O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCC[N@@H+]1CCN1CCNC1=O ZINC000329312634 861276631 /nfs/dbraw/zinc/27/66/31/861276631.db2.gz ALNMVVWHTIVWHO-OAHLLOKOSA-N 1 2 385.295 3.666 20 30 GHEDLO O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCC[N@H+]1CCN1CCNC1=O ZINC000329312634 861276643 /nfs/dbraw/zinc/27/66/43/861276643.db2.gz ALNMVVWHTIVWHO-OAHLLOKOSA-N 1 2 385.295 3.666 20 30 GHEDLO CCOc1c(Br)cc(Br)cc1C[NH2+]C[C@H](C)C#N ZINC000054181064 842408022 /nfs/dbraw/zinc/40/80/22/842408022.db2.gz AIQHFENFEOMQQS-SECBINFHSA-N 1 2 376.092 3.860 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N[C@H](C)c1ccc(CC)cc1 ZINC000512144674 842635459 /nfs/dbraw/zinc/63/54/59/842635459.db2.gz BXMOCJKZWWONFP-MSOLQXFVSA-N 1 2 384.520 3.978 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N[C@H](C)c1ccc(CC)cc1 ZINC000512144674 842635465 /nfs/dbraw/zinc/63/54/65/842635465.db2.gz BXMOCJKZWWONFP-MSOLQXFVSA-N 1 2 384.520 3.978 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000512153797 842663345 /nfs/dbraw/zinc/66/33/45/842663345.db2.gz VKLKNVBAEUJVSM-QGZVFWFLSA-N 1 2 399.466 3.624 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000512153797 842663349 /nfs/dbraw/zinc/66/33/49/842663349.db2.gz VKLKNVBAEUJVSM-QGZVFWFLSA-N 1 2 399.466 3.624 20 30 GHEDLO O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000329398053 861373193 /nfs/dbraw/zinc/37/31/93/861373193.db2.gz VDCUFDNWZITADX-GUDVDZBRSA-N 1 2 387.867 3.632 20 30 GHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCOC[C@@H](C4CCC4)C3)n2)C1 ZINC000330270591 843352530 /nfs/dbraw/zinc/35/25/30/843352530.db2.gz ULLCQCOKIGDBES-RDJZCZTQSA-N 1 2 392.569 3.669 20 30 GHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCOC[C@@H](C4CCC4)C3)n2)C1 ZINC000330270591 843352537 /nfs/dbraw/zinc/35/25/37/843352537.db2.gz ULLCQCOKIGDBES-RDJZCZTQSA-N 1 2 392.569 3.669 20 30 GHEDLO COc1ccc(-c2cc(C[NH+]3CCN([C@@H](C#N)c4ccccc4)CC3)on2)cc1 ZINC000610675728 843509565 /nfs/dbraw/zinc/50/95/65/843509565.db2.gz MANGTLHVFKWBJQ-QHCPKHFHSA-N 1 2 388.471 3.733 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)c(C#N)c1C ZINC000278899918 843637836 /nfs/dbraw/zinc/63/78/36/843637836.db2.gz JQKRNATUYPSPJC-BDAKNGLRSA-N 1 2 386.399 3.921 20 30 GHEDLO CC1(C)Cc2cc(NC(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)ccc2O1 ZINC000610732054 843783477 /nfs/dbraw/zinc/78/34/77/843783477.db2.gz JXXWHBDKPLJPAD-UHFFFAOYSA-N 1 2 390.487 3.621 20 30 GHEDLO C#CCOc1cccc(NC(=O)N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)c1 ZINC000731113042 861475652 /nfs/dbraw/zinc/47/56/52/861475652.db2.gz SPVUKOQNNYWICH-SFHVURJKSA-N 1 2 393.487 3.618 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](C(=O)OC)[C@H]2CCC[C@@H]21 ZINC000599655425 861487165 /nfs/dbraw/zinc/48/71/65/861487165.db2.gz WPBSGUNJSMYHLM-RYRKJORJSA-N 1 2 388.533 3.567 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C(=O)OC)[C@H]2CCC[C@@H]21 ZINC000599655425 861487172 /nfs/dbraw/zinc/48/71/72/861487172.db2.gz WPBSGUNJSMYHLM-RYRKJORJSA-N 1 2 388.533 3.567 20 30 GHEDLO C=CCNC(=O)C[NH2+][C@@H](c1ccccc1)c1cc(Br)ccc1F ZINC000181162129 844819977 /nfs/dbraw/zinc/81/99/77/844819977.db2.gz FJJZAPOXVBTEEB-SFHVURJKSA-N 1 2 377.257 3.569 20 30 GHEDLO C[C@@H](c1cccnc1)[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000501040500 846565471 /nfs/dbraw/zinc/56/54/71/846565471.db2.gz RBSIHRBKSMVYQJ-HNAYVOBHSA-N 1 2 385.309 3.788 20 30 GHEDLO N#Cc1ccc(N2CCC(C(=O)Nc3ccc(-c4[nH]cc[nH+]4)cc3)CC2)c(F)c1 ZINC000375684606 846749059 /nfs/dbraw/zinc/74/90/59/846749059.db2.gz GQGHLUBZIJOAMB-UHFFFAOYSA-N 1 2 389.434 3.943 20 30 GHEDLO CC1(C#N)CC[NH+](CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)CC1 ZINC000272637523 847131230 /nfs/dbraw/zinc/13/12/30/847131230.db2.gz XAPXRSNPHYBWQW-UHFFFAOYSA-N 1 2 382.489 3.565 20 30 GHEDLO C[N@H+](Cc1cc2c(c(Br)c1)OCO2)Cc1cc(C#N)ccc1F ZINC000513785820 847590612 /nfs/dbraw/zinc/59/06/12/847590612.db2.gz UFEBRNPCDQEJSU-UHFFFAOYSA-N 1 2 377.213 3.821 20 30 GHEDLO C[N@@H+](Cc1cc2c(c(Br)c1)OCO2)Cc1cc(C#N)ccc1F ZINC000513785820 847590614 /nfs/dbraw/zinc/59/06/14/847590614.db2.gz UFEBRNPCDQEJSU-UHFFFAOYSA-N 1 2 377.213 3.821 20 30 GHEDLO C[C@H](NC(=O)C1CCC(NC(=O)C2CCCC2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000329095528 848092214 /nfs/dbraw/zinc/09/22/14/848092214.db2.gz KWASGBCFFUQPJX-XYCLOBBJSA-N 1 2 379.545 3.758 20 30 GHEDLO CC[NH+](CC)[C@@H](C(=O)OCC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000731906767 861951706 /nfs/dbraw/zinc/95/17/06/861951706.db2.gz AIYULSUKJMNLEX-HXUWFJFHSA-N 1 2 399.878 3.776 20 30 GHEDLO COc1c(C)c[nH+]c(CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1C ZINC000731982477 861995198 /nfs/dbraw/zinc/99/51/98/861995198.db2.gz WDHAODJFCKDROL-UHFFFAOYSA-N 1 2 388.427 3.696 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccnc(-c4ccccc4)c3)CC2)cc1 ZINC000504130876 849926921 /nfs/dbraw/zinc/92/69/21/849926921.db2.gz IJGVMJDTWDAPNW-UHFFFAOYSA-N 1 2 397.482 3.970 20 30 GHEDLO C[C@@H](c1cccc(NC(=O)C2(c3cccc(C#N)c3)CC2)c1)[NH+]1CCOCC1 ZINC000434996586 849983493 /nfs/dbraw/zinc/98/34/93/849983493.db2.gz VOEBAWKJYPMAOB-KRWDZBQOSA-N 1 2 375.472 3.622 20 30 GHEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)Nc1cccc(C#Cc2ccccc2)c1 ZINC000504490144 850096551 /nfs/dbraw/zinc/09/65/51/850096551.db2.gz YGDTZBKMERGWMH-UHFFFAOYSA-N 1 2 384.483 3.983 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000514845420 850360106 /nfs/dbraw/zinc/36/01/06/850360106.db2.gz HINOBFPAJWGDAJ-KJNZLNQQSA-N 1 2 381.426 3.502 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000514845420 850360113 /nfs/dbraw/zinc/36/01/13/850360113.db2.gz HINOBFPAJWGDAJ-KJNZLNQQSA-N 1 2 381.426 3.502 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000514845425 850360702 /nfs/dbraw/zinc/36/07/02/850360702.db2.gz HINOBFPAJWGDAJ-XWDORNJCSA-N 1 2 381.426 3.502 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000514845425 850360713 /nfs/dbraw/zinc/36/07/13/850360713.db2.gz HINOBFPAJWGDAJ-XWDORNJCSA-N 1 2 381.426 3.502 20 30 GHEDLO N#Cc1ccccc1OCC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000435336967 850389882 /nfs/dbraw/zinc/38/98/82/850389882.db2.gz RVOPNGHRDGCSKD-UHFFFAOYSA-N 1 2 394.862 3.516 20 30 GHEDLO C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000909273374 850659329 /nfs/dbraw/zinc/65/93/29/850659329.db2.gz MVDVOVGWRPBZKG-UHFFFAOYSA-N 1 2 399.502 3.869 20 30 GHEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000519193933 850724829 /nfs/dbraw/zinc/72/48/29/850724829.db2.gz YHJWMJBRFWWWNQ-UHFFFAOYSA-N 1 2 383.448 3.902 20 30 GHEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000519193933 850724838 /nfs/dbraw/zinc/72/48/38/850724838.db2.gz YHJWMJBRFWWWNQ-UHFFFAOYSA-N 1 2 383.448 3.902 20 30 GHEDLO Cc1[nH]c2ccc(NC(=O)C3CCN(c4ccc(C#N)cc4F)CC3)cc2[nH+]1 ZINC000505235031 850743495 /nfs/dbraw/zinc/74/34/95/850743495.db2.gz DPXDOHDODCTEJD-UHFFFAOYSA-N 1 2 377.423 3.737 20 30 GHEDLO Cc1ccc([C@H]([NH2+]CC#Cc2ccc(Cl)cc2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000435906234 850963790 /nfs/dbraw/zinc/96/37/90/850963790.db2.gz JRSFLGRTMSKNEI-OXQOHEQNSA-N 1 2 375.921 3.764 20 30 GHEDLO N#Cc1cc(Cl)ccc1C[N@H+](CCO)Cc1cccc(Br)c1 ZINC000488179746 851242931 /nfs/dbraw/zinc/24/29/31/851242931.db2.gz QWCAEFPQXQPTTK-UHFFFAOYSA-N 1 2 379.685 3.969 20 30 GHEDLO N#Cc1cc(Cl)ccc1C[N@@H+](CCO)Cc1cccc(Br)c1 ZINC000488179746 851242937 /nfs/dbraw/zinc/24/29/37/851242937.db2.gz QWCAEFPQXQPTTK-UHFFFAOYSA-N 1 2 379.685 3.969 20 30 GHEDLO N#Cc1c(F)cccc1N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000515888307 851604569 /nfs/dbraw/zinc/60/45/69/851604569.db2.gz RCCCTLMRGNAQIM-UHFFFAOYSA-N 1 2 389.228 3.956 20 30 GHEDLO N#CCCn1cc(CNc2ccc(Cn3cc[nH+]c3)cn2)c(-c2ccccc2)n1 ZINC000508451906 862289466 /nfs/dbraw/zinc/28/94/66/862289466.db2.gz AUYSGLNEEZPFPL-UHFFFAOYSA-N 1 2 383.459 3.716 20 30 GHEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000488891545 851848755 /nfs/dbraw/zinc/84/87/55/851848755.db2.gz BPEPXLSLIBOMQM-VQIMIIECSA-N 1 2 377.410 3.657 20 30 GHEDLO C=CCn1cccc1C(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000488891545 851848764 /nfs/dbraw/zinc/84/87/64/851848764.db2.gz BPEPXLSLIBOMQM-VQIMIIECSA-N 1 2 377.410 3.657 20 30 GHEDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1ccc(C#N)c(Cl)c1 ZINC000155977072 851998707 /nfs/dbraw/zinc/99/87/07/851998707.db2.gz XJUYAOMLEBNAML-QGZVFWFLSA-N 1 2 397.906 3.575 20 30 GHEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+](Cc2ccncc2)C2CC2)ccc1Cl ZINC000180764961 862326112 /nfs/dbraw/zinc/32/61/12/862326112.db2.gz VCXZMLVMJRYBDR-UHFFFAOYSA-N 1 2 382.895 3.955 20 30 GHEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+](Cc2ccncc2)C2CC2)ccc1Cl ZINC000180764961 862326129 /nfs/dbraw/zinc/32/61/29/862326129.db2.gz VCXZMLVMJRYBDR-UHFFFAOYSA-N 1 2 382.895 3.955 20 30 GHEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CCO[C@@H](c3ccsc3)C1)C2 ZINC000329861441 862379841 /nfs/dbraw/zinc/37/98/41/862379841.db2.gz QGZZAWXMHFSKIU-JKSUJKDBSA-N 1 2 388.537 3.544 20 30 GHEDLO CCc1ccc([C@@H](C#N)NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)cc1 ZINC000489963299 852676171 /nfs/dbraw/zinc/67/61/71/852676171.db2.gz ZKVQSRLSHKITFR-LJQANCHMSA-N 1 2 378.501 3.819 20 30 GHEDLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc(C#N)c1C ZINC000509183284 862405210 /nfs/dbraw/zinc/40/52/10/862405210.db2.gz GGVYMQKNSBGNQO-UZUQRXQVSA-N 1 2 390.531 3.943 20 30 GHEDLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc(C#N)c1C ZINC000509183284 862405219 /nfs/dbraw/zinc/40/52/19/862405219.db2.gz GGVYMQKNSBGNQO-UZUQRXQVSA-N 1 2 390.531 3.943 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)c2cc3n(n2)CCCO3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000329948497 862448345 /nfs/dbraw/zinc/44/83/45/862448345.db2.gz KUMQREVPJCGXST-MAUKXSAKSA-N 1 2 392.862 3.598 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)c2cc3n(n2)CCCO3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000329948497 862448349 /nfs/dbraw/zinc/44/83/49/862448349.db2.gz KUMQREVPJCGXST-MAUKXSAKSA-N 1 2 392.862 3.598 20 30 GHEDLO N#Cc1csc(CN2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000519735210 853427632 /nfs/dbraw/zinc/42/76/32/853427632.db2.gz QWZQAPTXHWGNTM-UHFFFAOYSA-N 1 2 381.332 3.682 20 30 GHEDLO C[C@H](C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)[NH+]1CCSCC1 ZINC000491090014 853446834 /nfs/dbraw/zinc/44/68/34/853446834.db2.gz DTOHSFLPTLBKQP-CQSZACIVSA-N 1 2 385.464 3.865 20 30 GHEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000440628278 853448325 /nfs/dbraw/zinc/44/83/25/853448325.db2.gz VKIYEFBALDPZLG-JOCHJYFZSA-N 1 2 376.435 3.863 20 30 GHEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000571031374 853695994 /nfs/dbraw/zinc/69/59/94/853695994.db2.gz KMSBYHSMLWBXAQ-FQEVSTJZSA-N 1 2 380.517 3.525 20 30 GHEDLO COc1cc(OC)c2ncc(C#N)c(NCc3ccc(Cn4cc[nH+]c4)cc3)c2c1 ZINC000587300231 853755148 /nfs/dbraw/zinc/75/51/48/853755148.db2.gz SDPYNZLYIQQILR-UHFFFAOYSA-N 1 2 399.454 3.981 20 30 GHEDLO CCOc1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)C2 ZINC000441092923 853909019 /nfs/dbraw/zinc/90/90/19/853909019.db2.gz PSJGXMMOWHUKGI-KRWDZBQOSA-N 1 2 395.478 3.918 20 30 GHEDLO CCOc1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)C2 ZINC000441092923 853909022 /nfs/dbraw/zinc/90/90/22/853909022.db2.gz PSJGXMMOWHUKGI-KRWDZBQOSA-N 1 2 395.478 3.918 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1C#N)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000441331504 854118194 /nfs/dbraw/zinc/11/81/94/854118194.db2.gz OIKHFSMNDTTYFJ-DLBZAZTESA-N 1 2 396.922 3.917 20 30 GHEDLO C[C@@H]1C[N@H+](CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)C[C@@]2(CCOC2)O1 ZINC000330071563 862554732 /nfs/dbraw/zinc/55/47/32/862554732.db2.gz JAFCISFOUCBSJT-URZJWIJPSA-N 1 2 390.499 3.893 20 30 GHEDLO C[C@@H]1C[N@@H+](CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)C[C@@]2(CCOC2)O1 ZINC000330071563 862554739 /nfs/dbraw/zinc/55/47/39/862554739.db2.gz JAFCISFOUCBSJT-URZJWIJPSA-N 1 2 390.499 3.893 20 30 GHEDLO CC(C)Oc1ncccc1NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000328649930 854488673 /nfs/dbraw/zinc/48/86/73/854488673.db2.gz IYGUTYHUZAARLW-INIZCTEOSA-N 1 2 383.496 3.827 20 30 GHEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000248377912 854712063 /nfs/dbraw/zinc/71/20/63/854712063.db2.gz IBEITSRAMITSJH-KURKYZTESA-N 1 2 393.487 3.573 20 30 GHEDLO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@@H](c4nc(C5CCCCC5)n[nH]4)C3)n2c1 ZINC000589197987 854743581 /nfs/dbraw/zinc/74/35/81/854743581.db2.gz ICNMVJREFDGNIX-GOSISDBHSA-N 1 2 389.507 3.751 20 30 GHEDLO N#Cc1ccc2ncc(C[N@H+]3CCC[C@@H](c4nc(C5CCCCC5)n[nH]4)C3)n2c1 ZINC000589197987 854743588 /nfs/dbraw/zinc/74/35/88/854743588.db2.gz ICNMVJREFDGNIX-GOSISDBHSA-N 1 2 389.507 3.751 20 30 GHEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCC[C@@H](COc3ccccc3Cl)C2)cc1 ZINC000157057542 854928955 /nfs/dbraw/zinc/92/89/55/854928955.db2.gz QFHYIWAQHGGDCF-UZLBHIALSA-N 1 2 383.879 3.529 20 30 GHEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCC[C@@H](COc3ccccc3Cl)C2)cc1 ZINC000157057542 854928961 /nfs/dbraw/zinc/92/89/61/854928961.db2.gz QFHYIWAQHGGDCF-UZLBHIALSA-N 1 2 383.879 3.529 20 30 GHEDLO COc1ccc(CCCCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000057045358 855197422 /nfs/dbraw/zinc/19/74/22/855197422.db2.gz BURDKRHHJPQQKE-UHFFFAOYSA-N 1 2 391.515 3.624 20 30 GHEDLO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000465631062 855433190 /nfs/dbraw/zinc/43/31/90/855433190.db2.gz RLKXJEXCKADYFV-XZOQPEGZSA-N 1 2 399.498 3.913 20 30 GHEDLO CC1(C)[C@H](NC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)[C@@H]2CCO[C@H]21 ZINC000330263552 862704206 /nfs/dbraw/zinc/70/42/06/862704206.db2.gz WRKWJMXEAOEOQJ-IPMKNSEASA-N 1 2 380.492 3.835 20 30 GHEDLO Cc1cccc([C@@H](CNc2nc(C(F)(F)F)ccc2C#N)[NH+]2CCOCC2)c1 ZINC000301309638 855659557 /nfs/dbraw/zinc/65/95/57/855659557.db2.gz XUJAUQLWCFLKMP-QGZVFWFLSA-N 1 2 390.409 3.766 20 30 GHEDLO C[N@@H+]1CCO[C@H]([C@H](Nc2ccc(C#N)cc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000301899226 855776607 /nfs/dbraw/zinc/77/66/07/855776607.db2.gz SYWBISIJJSBPED-RBUKOAKNSA-N 1 2 386.839 3.604 20 30 GHEDLO C[N@H+]1CCO[C@H]([C@H](Nc2ccc(C#N)cc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000301899226 855776614 /nfs/dbraw/zinc/77/66/14/855776614.db2.gz SYWBISIJJSBPED-RBUKOAKNSA-N 1 2 386.839 3.604 20 30 GHEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000171145975 855980125 /nfs/dbraw/zinc/98/01/25/855980125.db2.gz GWVKETIGRYUQGE-UHFFFAOYSA-N 1 2 376.464 3.681 20 30 GHEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000171144235 855980759 /nfs/dbraw/zinc/98/07/59/855980759.db2.gz ZQHGIQQWFYOKEO-UHFFFAOYSA-N 1 2 390.491 3.724 20 30 GHEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000109013169 856098906 /nfs/dbraw/zinc/09/89/06/856098906.db2.gz FSGJAJUJBFGGBA-QGZVFWFLSA-N 1 2 377.473 3.581 20 30 GHEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000109013169 856098913 /nfs/dbraw/zinc/09/89/13/856098913.db2.gz FSGJAJUJBFGGBA-QGZVFWFLSA-N 1 2 377.473 3.581 20 30 GHEDLO Cc1c(Cl)c(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)nc2ccccc12 ZINC000060480635 856305745 /nfs/dbraw/zinc/30/57/45/856305745.db2.gz XYLJWHUNTJRTDP-UHFFFAOYSA-N 1 2 377.879 3.786 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(OC4CCCC4)cc3)CC2)cc1 ZINC000046148426 856574892 /nfs/dbraw/zinc/57/48/92/856574892.db2.gz XKHILVKUNKROHB-UHFFFAOYSA-N 1 2 389.499 3.838 20 30 GHEDLO NC(=[NH+]OCCOc1cccc(F)c1)c1ccc(OCc2cccnc2)cc1 ZINC000733305402 862850332 /nfs/dbraw/zinc/85/03/32/862850332.db2.gz CNFKXGUGMPTRNN-UHFFFAOYSA-N 1 2 381.407 3.516 20 30 GHEDLO C[N@@H+](Cc1cccc(F)c1C#N)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000428228722 857240160 /nfs/dbraw/zinc/24/01/60/857240160.db2.gz LOCPUJOZXAIZTQ-AWEZNQCLSA-N 1 2 382.357 3.588 20 30 GHEDLO C[N@H+](Cc1cccc(F)c1C#N)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000428228722 857240170 /nfs/dbraw/zinc/24/01/70/857240170.db2.gz LOCPUJOZXAIZTQ-AWEZNQCLSA-N 1 2 382.357 3.588 20 30 GHEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)[C@@]3(C#N)CC4CCC3CC4)CC2)cc1 ZINC000906809365 857306099 /nfs/dbraw/zinc/30/60/99/857306099.db2.gz GIQSUUOPFCKGBO-QPFKGPCDSA-N 1 2 380.536 3.558 20 30 GHEDLO C=CCOc1ccc(C[N@@H+](Cc2nnnn2CC(F)(F)F)C(C)(C)C)cc1 ZINC000190940218 857327763 /nfs/dbraw/zinc/32/77/63/857327763.db2.gz NQKPDBMDZMPHGJ-UHFFFAOYSA-N 1 2 383.418 3.601 20 30 GHEDLO C=CCOc1ccc(C[N@H+](Cc2nnnn2CC(F)(F)F)C(C)(C)C)cc1 ZINC000190940218 857327777 /nfs/dbraw/zinc/32/77/77/857327777.db2.gz NQKPDBMDZMPHGJ-UHFFFAOYSA-N 1 2 383.418 3.601 20 30 GHEDLO C=CCOCCC[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000668581548 857381495 /nfs/dbraw/zinc/38/14/95/857381495.db2.gz GKIVLJUKCUZWQL-UHFFFAOYSA-N 1 2 379.092 3.600 20 30 GHEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)CC2)c1 ZINC000181508463 862907066 /nfs/dbraw/zinc/90/70/66/862907066.db2.gz CDPJTKRCOJIOGR-GOSISDBHSA-N 1 2 389.499 3.769 20 30 GHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2ncc(C#N)cc2Cl)c(C)c1 ZINC000442187141 857577510 /nfs/dbraw/zinc/57/75/10/857577510.db2.gz UWFCYSJTJHSAGL-SFHVURJKSA-N 1 2 379.851 3.591 20 30 GHEDLO N#Cc1cccc(CNC(=O)C[NH+](Cc2cccs2)Cc2cccs2)c1 ZINC000521195040 857716919 /nfs/dbraw/zinc/71/69/19/857716919.db2.gz RLODBVSROZSZKR-UHFFFAOYSA-N 1 2 381.526 4.000 20 30 GHEDLO CCOC[C@H]1CCC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000113935489 857796287 /nfs/dbraw/zinc/79/62/87/857796287.db2.gz MPVLMQODKAZBRW-HNNXBMFYSA-N 1 2 375.538 3.576 20 30 GHEDLO CCOC[C@H]1CCC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000113935489 857796293 /nfs/dbraw/zinc/79/62/93/857796293.db2.gz MPVLMQODKAZBRW-HNNXBMFYSA-N 1 2 375.538 3.576 20 30 GHEDLO C[C@H]([C@H](C)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[NH+]1CCOCC1 ZINC000066953694 858372499 /nfs/dbraw/zinc/37/24/99/858372499.db2.gz HTDFTOIEWRYFBR-DLBZAZTESA-N 1 2 394.475 3.581 20 30 GHEDLO COc1cc(C[NH2+][C@H](C)c2nnn(-c3ccc(Cl)cc3)c2C)ccc1C#N ZINC000521944543 858475616 /nfs/dbraw/zinc/47/56/16/858475616.db2.gz DEYLUHUXXJXCGY-CYBMUJFWSA-N 1 2 381.867 3.960 20 30 GHEDLO CC(C)n1cc(C2=CCC[N@H+](CC(=O)Nc3cc(Cl)ccc3C#N)CC2)nn1 ZINC000595514371 858549946 /nfs/dbraw/zinc/54/99/46/858549946.db2.gz DZCFALFEHIJARM-UHFFFAOYSA-N 1 2 398.898 3.502 20 30 GHEDLO CC(C)n1cc(C2=CCC[N@@H+](CC(=O)Nc3cc(Cl)ccc3C#N)CC2)nn1 ZINC000595514371 858549951 /nfs/dbraw/zinc/54/99/51/858549951.db2.gz DZCFALFEHIJARM-UHFFFAOYSA-N 1 2 398.898 3.502 20 30 GHEDLO COc1ccc(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)cc1OCCCC#N ZINC000181926204 863057313 /nfs/dbraw/zinc/05/73/13/863057313.db2.gz NIHQCQALDRKFET-NRFANRHFSA-N 1 2 380.488 3.821 20 30 GHEDLO COc1ccc(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)cc1OCCCC#N ZINC000181926204 863057319 /nfs/dbraw/zinc/05/73/19/863057319.db2.gz NIHQCQALDRKFET-NRFANRHFSA-N 1 2 380.488 3.821 20 30 GHEDLO COc1ccc(C[N@@H+]2CCN(CC(F)(F)F)CC2(C)C)cc1OCCCC#N ZINC000184799394 858999263 /nfs/dbraw/zinc/99/92/63/858999263.db2.gz DRSXOEMEJFUEDS-UHFFFAOYSA-N 1 2 399.457 3.836 20 30 GHEDLO COc1ccc(C[N@H+]2CCN(CC(F)(F)F)CC2(C)C)cc1OCCCC#N ZINC000184799394 858999269 /nfs/dbraw/zinc/99/92/69/858999269.db2.gz DRSXOEMEJFUEDS-UHFFFAOYSA-N 1 2 399.457 3.836 20 30 GHEDLO N#Cc1ccccc1Oc1ccc(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1F ZINC000429343425 859095111 /nfs/dbraw/zinc/09/51/11/859095111.db2.gz CWRKRFRBDLAVRF-INIZCTEOSA-N 1 2 391.406 3.823 20 30 GHEDLO N#CC1(c2ccc(C[NH+]3CCN(C(=O)c4c(F)cccc4Cl)CC3)cc2)CC1 ZINC000596996366 859235846 /nfs/dbraw/zinc/23/58/46/859235846.db2.gz UPCZIWBPOFQVMR-UHFFFAOYSA-N 1 2 397.881 3.992 20 30 GHEDLO C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000499730546 859369633 /nfs/dbraw/zinc/36/96/33/859369633.db2.gz CAKKIGUMXVHCNL-UMSONDCASA-N 1 2 389.499 3.723 20 30 GHEDLO C#CC[C@]1(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)CCCN1C(=O)OC(C)(C)C ZINC000764459890 859455956 /nfs/dbraw/zinc/45/59/56/859455956.db2.gz LLEMGFDDJMNVAM-JOCHJYFZSA-N 1 2 394.475 3.808 20 30 GHEDLO C[C@H]([NH2+]Cc1cc(C#N)n(C)c1)c1nc(-c2ccc(Br)cc2)no1 ZINC000483658712 859516159 /nfs/dbraw/zinc/51/61/59/859516159.db2.gz VASXAFISSILFPM-NSHDSACASA-N 1 2 386.253 3.560 20 30 GHEDLO COc1ccc(Oc2ccc(CN(CCC#N)CC[NH+]3CCOCC3)cc2)cc1 ZINC000543396910 859561980 /nfs/dbraw/zinc/56/19/80/859561980.db2.gz PFIYBJYLUVVYDV-UHFFFAOYSA-N 1 2 395.503 3.535 20 30 GHEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 ZINC000611124827 859618783 /nfs/dbraw/zinc/61/87/83/859618783.db2.gz BMNFQSDNZDERKE-MRXNPFEDSA-N 1 2 388.431 3.500 20 30 GHEDLO C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1cccc(C#N)c1 ZINC000611199045 859639643 /nfs/dbraw/zinc/63/96/43/859639643.db2.gz KDLNGFKGRUPNSX-CJMONDIMSA-N 1 2 384.430 3.642 20 30 GHEDLO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1cccc(C#N)c1 ZINC000611199045 859639645 /nfs/dbraw/zinc/63/96/45/859639645.db2.gz KDLNGFKGRUPNSX-CJMONDIMSA-N 1 2 384.430 3.642 20 30 GHEDLO Cc1oc(NC(=O)C[NH+]2CCC3(CC2)c2ccccc2N=C3C)c(C#N)c1C ZINC000602863370 860320294 /nfs/dbraw/zinc/32/02/94/860320294.db2.gz MXCGAOWAIDLLHZ-UHFFFAOYSA-N 1 2 376.460 3.846 20 30 GHEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)N[C@@](C)(c2ccccc2C)C1=O ZINC000728045366 860366907 /nfs/dbraw/zinc/36/69/07/860366907.db2.gz OGQDOCQCTQIEDC-QHCPKHFHSA-N 1 2 390.487 3.503 20 30 GHEDLO CCC[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)N[C@@](C)(c2ccccc2C)C1=O ZINC000728045366 860366909 /nfs/dbraw/zinc/36/69/09/860366909.db2.gz OGQDOCQCTQIEDC-QHCPKHFHSA-N 1 2 390.487 3.503 20 30 GHEDLO CC(C)(C)OC(=O)C1CC[NH+](Cc2ccc(C#N)cc2Br)CC1 ZINC000330737286 860530446 /nfs/dbraw/zinc/53/04/46/860530446.db2.gz MWQKRGZWLZWEOL-UHFFFAOYSA-N 1 2 379.298 3.874 20 30 GHEDLO N#Cc1cccc([C@@H]2C[N@H+](Cc3ccc(OC[C@@H]4CCCO4)cc3)CCO2)c1 ZINC000509070188 860793194 /nfs/dbraw/zinc/79/31/94/860793194.db2.gz MIWKOHUBWBEPFW-GOTSBHOMSA-N 1 2 378.472 3.690 20 30 GHEDLO N#Cc1cccc([C@@H]2C[N@@H+](Cc3ccc(OC[C@@H]4CCCO4)cc3)CCO2)c1 ZINC000509070188 860793203 /nfs/dbraw/zinc/79/32/03/860793203.db2.gz MIWKOHUBWBEPFW-GOTSBHOMSA-N 1 2 378.472 3.690 20 30 GHEDLO CC1(C)C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)[C@@H]2COC[C@H]2O1 ZINC000593698143 860901106 /nfs/dbraw/zinc/90/11/06/860901106.db2.gz PLACGTQKQAJDSX-FGZHOGPDSA-N 1 2 378.472 3.515 20 30 GHEDLO CC1(C)C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)[C@@H]2COC[C@H]2O1 ZINC000593698143 860901120 /nfs/dbraw/zinc/90/11/20/860901120.db2.gz PLACGTQKQAJDSX-FGZHOGPDSA-N 1 2 378.472 3.515 20 30 GHEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](c2nc(C)no2)C1 ZINC000329068122 860991320 /nfs/dbraw/zinc/99/13/20/860991320.db2.gz XJBUEVYCZUUZIP-WCQYABFASA-N 1 2 378.860 3.814 20 30 GHEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](c2nc(C)no2)C1 ZINC000329068122 860991335 /nfs/dbraw/zinc/99/13/35/860991335.db2.gz XJBUEVYCZUUZIP-WCQYABFASA-N 1 2 378.860 3.814 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C(C)=O)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000329113125 861031068 /nfs/dbraw/zinc/03/10/68/861031068.db2.gz RSJCVYHDWRXHHO-JENIJYKNSA-N 1 2 397.441 3.597 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C(C)=O)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000329113125 861031088 /nfs/dbraw/zinc/03/10/88/861031088.db2.gz RSJCVYHDWRXHHO-JENIJYKNSA-N 1 2 397.441 3.597 20 30 GHEDLO C[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccc(C(F)(F)F)nc1Cl ZINC000856779126 881739390 /nfs/dbraw/zinc/73/93/90/881739390.db2.gz TYVMSEDKWRJHOY-MRVPVSSYSA-N 1 2 388.802 3.976 20 30 GHEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000121261623 864429562 /nfs/dbraw/zinc/42/95/62/864429562.db2.gz ZXJQWUFEZMMXTP-LJQANCHMSA-N 1 2 389.459 3.893 20 30 GHEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000121261623 864429574 /nfs/dbraw/zinc/42/95/74/864429574.db2.gz ZXJQWUFEZMMXTP-LJQANCHMSA-N 1 2 389.459 3.893 20 30 GHEDLO CCOc1cccc([C@@H](C)NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000063323535 864518394 /nfs/dbraw/zinc/51/83/94/864518394.db2.gz OKNXEFWHAMRQGY-GOSISDBHSA-N 1 2 392.503 3.545 20 30 GHEDLO N#Cc1nccnc1N1CC[NH+](Cc2sccc2Oc2ccccc2)CC1 ZINC001142001400 864567440 /nfs/dbraw/zinc/56/74/40/864567440.db2.gz NXTYHCSWVIXPBL-UHFFFAOYSA-N 1 2 377.473 3.524 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCCOC(C)(C)C1 ZINC000609766678 864803463 /nfs/dbraw/zinc/80/34/63/864803463.db2.gz CNEHASHFQZSOSP-AWEZNQCLSA-N 1 2 375.538 3.717 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCCOC(C)(C)C1 ZINC000609766678 864803482 /nfs/dbraw/zinc/80/34/82/864803482.db2.gz CNEHASHFQZSOSP-AWEZNQCLSA-N 1 2 375.538 3.717 20 30 GHEDLO C=CCOc1c(Br)cc(C[N@H+](C)Cc2ccnn2C)cc1OCC ZINC000475342562 864817852 /nfs/dbraw/zinc/81/78/52/864817852.db2.gz MPJCKHBSQZDHRX-UHFFFAOYSA-N 1 2 394.313 3.778 20 30 GHEDLO C=CCOc1c(Br)cc(C[N@@H+](C)Cc2ccnn2C)cc1OCC ZINC000475342562 864817867 /nfs/dbraw/zinc/81/78/67/864817867.db2.gz MPJCKHBSQZDHRX-UHFFFAOYSA-N 1 2 394.313 3.778 20 30 GHEDLO COc1ccc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c(OC)c1 ZINC000475342040 864818407 /nfs/dbraw/zinc/81/84/07/864818407.db2.gz JTIIBKCEYXVCOL-FQEVSTJZSA-N 1 2 385.895 3.740 20 30 GHEDLO CCc1ccc([C@H](C#N)NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)cc1 ZINC000554790455 864915715 /nfs/dbraw/zinc/91/57/15/864915715.db2.gz SCEOWUKLKOHNDH-LEWJYISDSA-N 1 2 379.529 3.720 20 30 GHEDLO C=CCc1cc(C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)cc(OC)c1OC ZINC000058958183 881826573 /nfs/dbraw/zinc/82/65/73/881826573.db2.gz HRLUZEKZUHZTBB-UHFFFAOYSA-N 1 2 384.476 3.725 20 30 GHEDLO Cc1ncc(C[NH+]2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)s1 ZINC000120981040 881831720 /nfs/dbraw/zinc/83/17/20/881831720.db2.gz KAIHVUQCLQEEQI-QGZVFWFLSA-N 1 2 391.338 3.597 20 30 GHEDLO C=CCN1CC[C@H]([N@@H+](CC(=O)Nc2ccccc2C(F)(F)F)[C@H](C)CC)C1=O ZINC000282003554 865486182 /nfs/dbraw/zinc/48/61/82/865486182.db2.gz NQRJTAAFLFFGNR-PBHICJAKSA-N 1 2 397.441 3.531 20 30 GHEDLO C=CCN1CC[C@H]([N@H+](CC(=O)Nc2ccccc2C(F)(F)F)[C@H](C)CC)C1=O ZINC000282003554 865486189 /nfs/dbraw/zinc/48/61/89/865486189.db2.gz NQRJTAAFLFFGNR-PBHICJAKSA-N 1 2 397.441 3.531 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)N2Cc3ccc(C#N)cc3C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000594234336 865500949 /nfs/dbraw/zinc/50/09/49/865500949.db2.gz VWEORDNCCGRQNB-PMACEKPBSA-N 1 2 398.869 3.821 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)N2Cc3ccc(C#N)cc3C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000594234336 865500954 /nfs/dbraw/zinc/50/09/54/865500954.db2.gz VWEORDNCCGRQNB-PMACEKPBSA-N 1 2 398.869 3.821 20 30 GHEDLO COC(=O)c1cc(N[NH+]=Cc2sc(N3CCCC3)nc2Cl)ccc1C ZINC000793090583 881920871 /nfs/dbraw/zinc/92/08/71/881920871.db2.gz WUEKXZBBNAHZBY-UHFFFAOYSA-N 1 2 378.885 3.938 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1C ZINC000740880613 866065049 /nfs/dbraw/zinc/06/50/49/866065049.db2.gz ZBHVORXZRCFISL-DNVCBOLYSA-N 1 2 389.540 3.709 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1C ZINC000740880613 866065066 /nfs/dbraw/zinc/06/50/66/866065066.db2.gz ZBHVORXZRCFISL-DNVCBOLYSA-N 1 2 389.540 3.709 20 30 GHEDLO C[NH+](C)c1ccc(N2CCC(=NNC(=S)Nc3ccccc3F)CC2)cc1 ZINC000741455516 866527591 /nfs/dbraw/zinc/52/75/91/866527591.db2.gz BKUJACZFJVKVEK-UHFFFAOYSA-N 1 2 385.512 3.835 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)c2ncc(C#N)cc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534394387 866680233 /nfs/dbraw/zinc/68/02/33/866680233.db2.gz DUPDWRRFLMTIFJ-NVXWUHKLSA-N 1 2 393.249 3.574 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)c2ncc(C#N)cc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534394387 866680246 /nfs/dbraw/zinc/68/02/46/866680246.db2.gz DUPDWRRFLMTIFJ-NVXWUHKLSA-N 1 2 393.249 3.574 20 30 GHEDLO CCCc1ccc(S(=O)(=O)N2CC[NH+](CCCCC(C)(C)C#N)CC2)cc1 ZINC000444591076 866914774 /nfs/dbraw/zinc/91/47/74/866914774.db2.gz CAZVUJQTDIQNBS-UHFFFAOYSA-N 1 2 391.581 3.665 20 30 GHEDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444675816 867049442 /nfs/dbraw/zinc/04/94/42/867049442.db2.gz SCOGILMYTDMZQT-YADHBBJMSA-N 1 2 392.499 3.539 20 30 GHEDLO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444675816 867049451 /nfs/dbraw/zinc/04/94/51/867049451.db2.gz SCOGILMYTDMZQT-YADHBBJMSA-N 1 2 392.499 3.539 20 30 GHEDLO CC[NH+](CC)Cc1nc(C2(NCc3ccc(O[C@@H](C)C#N)cc3)CCCC2)no1 ZINC000742384570 867251933 /nfs/dbraw/zinc/25/19/33/867251933.db2.gz IMASSHBKYNCGQG-KRWDZBQOSA-N 1 2 397.523 3.761 20 30 GHEDLO C=CCn1c(-c2ccccn2)nnc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000508840687 867655681 /nfs/dbraw/zinc/65/56/81/867655681.db2.gz MBLYIOYUEUOPDP-UHFFFAOYSA-N 1 2 394.910 3.502 20 30 GHEDLO Cn1cc(C[N@H+](C)CC#Cc2ccc(C(F)(F)F)cc2)c(C(F)(F)F)n1 ZINC000155303490 867860581 /nfs/dbraw/zinc/86/05/81/867860581.db2.gz OWNJQFRZCUIYKC-UHFFFAOYSA-N 1 2 375.316 3.941 20 30 GHEDLO Cn1cc(C[N@@H+](C)CC#Cc2ccc(C(F)(F)F)cc2)c(C(F)(F)F)n1 ZINC000155303490 867860598 /nfs/dbraw/zinc/86/05/98/867860598.db2.gz OWNJQFRZCUIYKC-UHFFFAOYSA-N 1 2 375.316 3.941 20 30 GHEDLO Cc1c(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)oc2ccccc12 ZINC000523764916 867915448 /nfs/dbraw/zinc/91/54/48/867915448.db2.gz NVSXFTYVWOKGAH-UHFFFAOYSA-N 1 2 388.471 3.640 20 30 GHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000535377635 868659874 /nfs/dbraw/zinc/65/98/74/868659874.db2.gz UHAKENIYKSXESX-UHFFFAOYSA-N 1 2 386.540 3.630 20 30 GHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000535377635 868659881 /nfs/dbraw/zinc/65/98/81/868659881.db2.gz UHAKENIYKSXESX-UHFFFAOYSA-N 1 2 386.540 3.630 20 30 GHEDLO C#CC[NH+]1CCN(C(=O)/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000744422259 868815905 /nfs/dbraw/zinc/81/59/05/868815905.db2.gz HYXKQSCOXWVZCE-ARJAWSKDSA-N 1 2 390.327 3.515 20 30 GHEDLO C=CCn1c2nn(C[N@H+]3CC[C@H](CC(C)C)C3)c(=S)n2c2ccccc2c1=O ZINC000744437873 868838742 /nfs/dbraw/zinc/83/87/42/868838742.db2.gz ZGVWXRAVJQGAQU-MRXNPFEDSA-N 1 2 397.548 3.692 20 30 GHEDLO C=CCn1c2nn(C[N@@H+]3CC[C@H](CC(C)C)C3)c(=S)n2c2ccccc2c1=O ZINC000744437873 868838754 /nfs/dbraw/zinc/83/87/54/868838754.db2.gz ZGVWXRAVJQGAQU-MRXNPFEDSA-N 1 2 397.548 3.692 20 30 GHEDLO C=CC[N@H+](CC(=O)N[C@@H](C)Cc1c(F)cccc1F)Cc1ccc(OC)cc1 ZINC000524754351 869525896 /nfs/dbraw/zinc/52/58/96/869525896.db2.gz ZUTOCXSWBKSPSY-INIZCTEOSA-N 1 2 388.458 3.709 20 30 GHEDLO C=CC[N@@H+](CC(=O)N[C@@H](C)Cc1c(F)cccc1F)Cc1ccc(OC)cc1 ZINC000524754351 869525906 /nfs/dbraw/zinc/52/59/06/869525906.db2.gz ZUTOCXSWBKSPSY-INIZCTEOSA-N 1 2 388.458 3.709 20 30 GHEDLO N#Cc1cc(C(=O)N(CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)c[nH]1 ZINC000181196551 870256531 /nfs/dbraw/zinc/25/65/31/870256531.db2.gz CKRGTGPMKFBCGF-UHFFFAOYSA-N 1 2 385.830 3.608 20 30 GHEDLO Cc1[nH]c2ccc(CN3CC(=O)C(=C4N(C)c5ccccc5N4C)C3=[NH2+])cc2c1C ZINC000920838821 882404411 /nfs/dbraw/zinc/40/44/11/882404411.db2.gz WVPPGDABRIZAPK-UHFFFAOYSA-N 1 2 399.498 3.945 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](Cc3c[nH]nc3-c3cccs3)CC2)c(Cl)c1 ZINC000446909944 870698429 /nfs/dbraw/zinc/69/84/29/870698429.db2.gz FJAMGSZKKJYXDR-UHFFFAOYSA-N 1 2 383.908 3.985 20 30 GHEDLO COc1cc(C[N@H+](C)CC(=O)/C=C2\N(C)c3ccccc3C2(C)C)ccc1O ZINC000746448742 870745479 /nfs/dbraw/zinc/74/54/79/870745479.db2.gz KTOYPHMFBHQMQM-XKZIYDEJSA-N 1 2 380.488 3.713 20 30 GHEDLO COc1cc(C[N@@H+](C)CC(=O)/C=C2\N(C)c3ccccc3C2(C)C)ccc1O ZINC000746448742 870745487 /nfs/dbraw/zinc/74/54/87/870745487.db2.gz KTOYPHMFBHQMQM-XKZIYDEJSA-N 1 2 380.488 3.713 20 30 GHEDLO C#Cc1cccc(N(CC)C(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)c1 ZINC000103027078 871015904 /nfs/dbraw/zinc/01/59/04/871015904.db2.gz NCZDKTVALZDIJI-UHFFFAOYSA-N 1 2 386.455 3.560 20 30 GHEDLO CCOc1ccc([C@H](C)[NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)cc1OC ZINC000540364717 871124530 /nfs/dbraw/zinc/12/45/30/871124530.db2.gz FPEOLRJGVAYQGQ-AWEZNQCLSA-N 1 2 378.432 3.866 20 30 GHEDLO C=CCC[C@@H](O)C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccc(F)c1 ZINC001193772868 871272819 /nfs/dbraw/zinc/27/28/19/871272819.db2.gz MJFNICUNLKHGNV-RTBURBONSA-N 1 2 378.488 3.747 20 30 GHEDLO C=CCC[C@@H](O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccc(F)c1 ZINC001193772868 871272833 /nfs/dbraw/zinc/27/28/33/871272833.db2.gz MJFNICUNLKHGNV-RTBURBONSA-N 1 2 378.488 3.747 20 30 GHEDLO C=CCC[C@H](O)C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccc(F)c1 ZINC001193772866 871273418 /nfs/dbraw/zinc/27/34/18/871273418.db2.gz MJFNICUNLKHGNV-OALUTQOASA-N 1 2 378.488 3.747 20 30 GHEDLO C=CCC[C@H](O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccc(F)c1 ZINC001193772866 871273437 /nfs/dbraw/zinc/27/34/37/871273437.db2.gz MJFNICUNLKHGNV-OALUTQOASA-N 1 2 378.488 3.747 20 30 GHEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(F)c(Br)c3)C2)nc1 ZINC000428811249 871547110 /nfs/dbraw/zinc/54/71/10/871547110.db2.gz UTMRGRQFTOUZSU-CQSZACIVSA-N 1 2 376.229 3.508 20 30 GHEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(F)c(Br)c3)C2)nc1 ZINC000428811249 871547121 /nfs/dbraw/zinc/54/71/21/871547121.db2.gz UTMRGRQFTOUZSU-CQSZACIVSA-N 1 2 376.229 3.508 20 30 GHEDLO C[NH+]1CCN(c2ccc(C(=O)Nc3c(C#N)oc4ccccc43)cc2Cl)CC1 ZINC001194658904 871874660 /nfs/dbraw/zinc/87/46/60/871874660.db2.gz PDTZWLBYGYFYSN-UHFFFAOYSA-N 1 2 394.862 3.962 20 30 GHEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CC=C(c3ccccc3C(F)(F)F)CC2)cc1 ZINC000478010449 872314637 /nfs/dbraw/zinc/31/46/37/872314637.db2.gz OJSGXTRVQOSCEA-UHFFFAOYSA-N 1 2 399.416 3.983 20 30 GHEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CC=C(c3ccccc3C(F)(F)F)CC2)cc1 ZINC000478010449 872314653 /nfs/dbraw/zinc/31/46/53/872314653.db2.gz OJSGXTRVQOSCEA-UHFFFAOYSA-N 1 2 399.416 3.983 20 30 GHEDLO C[C@@H](C#N)CNC(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000541016393 872763846 /nfs/dbraw/zinc/76/38/46/872763846.db2.gz PWTOTQWMQXXQBE-UWJYYQICSA-N 1 2 396.922 3.916 20 30 GHEDLO C[C@@H](C#N)CNC(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000541016391 872764082 /nfs/dbraw/zinc/76/40/82/872764082.db2.gz PWTOTQWMQXXQBE-LAUBAEHRSA-N 1 2 396.922 3.916 20 30 GHEDLO N#CCC1CCN(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000541034948 872804118 /nfs/dbraw/zinc/80/41/18/872804118.db2.gz PYVVKCFCMYQPNN-SFHVURJKSA-N 1 2 392.906 3.951 20 30 GHEDLO N#Cc1cnc2c(Br)cccc2c1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000619651116 872844925 /nfs/dbraw/zinc/84/49/25/872844925.db2.gz BZESZCPKZUWZMR-CQSZACIVSA-N 1 2 382.265 3.907 20 30 GHEDLO CN(CCCn1cc[nH+]c1)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000767949045 872979423 /nfs/dbraw/zinc/97/94/23/872979423.db2.gz AVWJGOIGEGDDKJ-UHFFFAOYSA-N 1 2 379.489 3.715 20 30 GHEDLO N#Cc1ccc(CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1Cl ZINC000619767441 872982636 /nfs/dbraw/zinc/98/26/36/872982636.db2.gz CZZGDONTKMAVLD-UHFFFAOYSA-N 1 2 385.899 3.810 20 30 GHEDLO CC(C)(C#N)c1ccccc1COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000768031682 873036313 /nfs/dbraw/zinc/03/63/13/873036313.db2.gz YSIIAQHBLGAZSJ-OAQYLSRUSA-N 1 2 392.499 3.822 20 30 GHEDLO CC(C)(C#N)c1ccccc1COC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000768031682 873036328 /nfs/dbraw/zinc/03/63/28/873036328.db2.gz YSIIAQHBLGAZSJ-OAQYLSRUSA-N 1 2 392.499 3.822 20 30 GHEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000153037684 873136084 /nfs/dbraw/zinc/13/60/84/873136084.db2.gz KDESRAVNALAFSM-AWEZNQCLSA-N 1 2 376.913 3.773 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H](C)N1Cc1cc(C#N)ccc1F ZINC000448520377 873542406 /nfs/dbraw/zinc/54/24/06/873542406.db2.gz JLTXVVGZFUXKLN-IYBDPMFKSA-N 1 2 380.442 3.803 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H](C)N1Cc1cc(C#N)ccc1F ZINC000448520377 873542412 /nfs/dbraw/zinc/54/24/12/873542412.db2.gz JLTXVVGZFUXKLN-IYBDPMFKSA-N 1 2 380.442 3.803 20 30 GHEDLO CC(C)COC[C@H]([NH2+][C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1ccco1 ZINC000541627695 873989705 /nfs/dbraw/zinc/98/97/05/873989705.db2.gz VULAYAMQCQFQFG-KLOMGHIOSA-N 1 2 389.540 3.902 20 30 GHEDLO C#C[C@H]([NH2+]Cc1nc(=O)c2c([nH]1)sc(C)c2-c1ccc(C)cc1)[C@H]1CCCO1 ZINC000775786021 874023543 /nfs/dbraw/zinc/02/35/43/874023543.db2.gz UXUMTZJJJMJSHF-DLBZAZTESA-N 1 2 393.512 3.951 20 30 GHEDLO CC(=[NH+]Nc1ccnc(Br)c1)c1cccc(N2CCOCC2)c1 ZINC000769811796 874302659 /nfs/dbraw/zinc/30/26/59/874302659.db2.gz ARBWIIFVFQCBGU-UHFFFAOYSA-N 1 2 375.270 3.517 20 30 GHEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCc3c(Cl)ccc(Br)c3C2)CCC1 ZINC001198280323 874321783 /nfs/dbraw/zinc/32/17/83/874321783.db2.gz WAQPVZSPFMKGOB-GFCCVEGCSA-N 1 2 383.717 3.905 20 30 GHEDLO N#CC1(C[C@@H](O)C[N@H+]2CCc3c(Cl)ccc(Br)c3C2)CCC1 ZINC001198280323 874321793 /nfs/dbraw/zinc/32/17/93/874321793.db2.gz WAQPVZSPFMKGOB-GFCCVEGCSA-N 1 2 383.717 3.905 20 30 GHEDLO C[NH+](C)Cc1nc(CSCCNc2ccc3c(c2)CC/C3=N/O)cs1 ZINC001168108897 874829576 /nfs/dbraw/zinc/82/95/76/874829576.db2.gz RKIDGKHPHVEZPB-FXBPSFAMSA-N 1 2 376.551 3.675 20 30 GHEDLO Cc1nc(NCc2cccc(C(=O)N(Cc3ccc(C#N)cc3)C(C)C)c2)cc[nH+]1 ZINC000542620594 882874350 /nfs/dbraw/zinc/87/43/50/882874350.db2.gz VRWXMGUTDTWZRN-UHFFFAOYSA-N 1 2 399.498 3.742 20 30 GHEDLO C=CCOCc1ncn2c1C[N@H+](Cc1ccccc1Br)CCC2 ZINC001203319989 874918758 /nfs/dbraw/zinc/91/87/58/874918758.db2.gz FKRZVFQTYPDGJX-UHFFFAOYSA-N 1 2 376.298 3.754 20 30 GHEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1ccccc1Br)CCC2 ZINC001203319989 874918761 /nfs/dbraw/zinc/91/87/61/874918761.db2.gz FKRZVFQTYPDGJX-UHFFFAOYSA-N 1 2 376.298 3.754 20 30 GHEDLO Cc1ccc(C#N)cc1NC(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000476738244 882960368 /nfs/dbraw/zinc/96/03/68/882960368.db2.gz JVOAWTFXKOYPQF-UHFFFAOYSA-N 1 2 398.894 3.749 20 30 GHEDLO C[C@@H](c1nnc(Sc2nccc(C#N)n2)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000450230275 876123950 /nfs/dbraw/zinc/12/39/50/876123950.db2.gz FAVKFNFNAQPJNU-HNNXBMFYSA-N 1 2 391.504 3.627 20 30 GHEDLO C[N@@H+]1CCO[C@@H]([C@H](Nc2cccc(C#N)c2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000450403590 876383322 /nfs/dbraw/zinc/38/33/22/876383322.db2.gz BMKUUDUEJHMFPC-QZTJIDSGSA-N 1 2 386.839 3.604 20 30 GHEDLO C[N@H+]1CCO[C@@H]([C@H](Nc2cccc(C#N)c2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000450403590 876383334 /nfs/dbraw/zinc/38/33/34/876383334.db2.gz BMKUUDUEJHMFPC-QZTJIDSGSA-N 1 2 386.839 3.604 20 30 GHEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1C(=O)Nc1ccc(OC)cc1 ZINC000785998195 876399326 /nfs/dbraw/zinc/39/93/26/876399326.db2.gz YTSVPPLDDQEGHJ-SFHVURJKSA-N 1 2 393.487 3.927 20 30 GHEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1C(=O)Nc1ccc(OC)cc1 ZINC000785998195 876399339 /nfs/dbraw/zinc/39/93/39/876399339.db2.gz YTSVPPLDDQEGHJ-SFHVURJKSA-N 1 2 393.487 3.927 20 30 GHEDLO N#Cc1ccccc1-c1ccccc1C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000129989931 877013614 /nfs/dbraw/zinc/01/36/14/877013614.db2.gz QVWCXKIKZBUIDA-UHFFFAOYSA-N 1 2 397.478 3.889 20 30 GHEDLO Cc1cccc(O[C@H](C)C(=O)N2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000609916122 877183156 /nfs/dbraw/zinc/18/31/56/877183156.db2.gz HITLQVXLPFDNIW-RTBURBONSA-N 1 2 377.488 3.539 20 30 GHEDLO N#Cc1ccc(CCNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1 ZINC000596673573 877354926 /nfs/dbraw/zinc/35/49/26/877354926.db2.gz UNQQAMOEBUFFFQ-FCHUYYIVSA-N 1 2 385.471 3.525 20 30 GHEDLO CCCCO[C@H]1C[C@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])C1(C)C ZINC000176449131 877736176 /nfs/dbraw/zinc/73/61/76/877736176.db2.gz UQBJNTUMSYQKII-OALUTQOASA-N 1 2 396.535 3.630 20 30 GHEDLO O=C(C(F)C(F)(F)F)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000788132770 877849025 /nfs/dbraw/zinc/84/90/25/877849025.db2.gz JTJVGALQBSILQS-ZDUSSCGKSA-N 1 2 386.311 3.640 20 30 GHEDLO O=C(C(F)C(F)(F)F)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000788132770 877849036 /nfs/dbraw/zinc/84/90/36/877849036.db2.gz JTJVGALQBSILQS-ZDUSSCGKSA-N 1 2 386.311 3.640 20 30 GHEDLO C#CCOc1ccc([C@H](C)OC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)cc1 ZINC000796691897 877855152 /nfs/dbraw/zinc/85/51/52/877855152.db2.gz LFZICSXEVSTAGD-ZDUSSCGKSA-N 1 2 384.382 3.939 20 30 GHEDLO N#Cc1c(C#N)c2c(nc1NCc1cccc(Cn3cc[nH+]c3)c1)CCCCCC2 ZINC000530474064 877875268 /nfs/dbraw/zinc/87/52/68/877875268.db2.gz GSSUMWCFOAGNSI-UHFFFAOYSA-N 1 2 396.498 3.763 20 30 GHEDLO CC(C)[C@H]1C[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)CCS1 ZINC000245452823 877903355 /nfs/dbraw/zinc/90/33/55/877903355.db2.gz QQZIRCJEHBIQSF-CRAIPNDOSA-N 1 2 377.579 3.950 20 30 GHEDLO CC(C)[C@H]1C[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)CCS1 ZINC000245452823 877903361 /nfs/dbraw/zinc/90/33/61/877903361.db2.gz QQZIRCJEHBIQSF-CRAIPNDOSA-N 1 2 377.579 3.950 20 30 GHEDLO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2c(F)cncc2F)ccc1Cl ZINC000285508248 912319018 /nfs/dbraw/zinc/31/90/18/912319018.db2.gz DFMUELMSJOSPPF-CYBMUJFWSA-N 1 2 392.837 3.919 20 30 GHEDLO Cc1ccc(CCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1Cl ZINC000027103458 878409883 /nfs/dbraw/zinc/40/98/83/878409883.db2.gz HBYCULPQAWUBKF-UHFFFAOYSA-N 1 2 381.907 3.797 20 30 GHEDLO CCCCCCCC[N@@H+]1C[C@]2(F)CN(Cc3csc(C)n3)C(=O)[C@]2(F)C1 ZINC001275118760 912349042 /nfs/dbraw/zinc/34/90/42/912349042.db2.gz IIQJKXAIVXVRLZ-RBUKOAKNSA-N 1 2 385.524 3.886 20 30 GHEDLO CCCCCCCC[N@H+]1C[C@]2(F)CN(Cc3csc(C)n3)C(=O)[C@]2(F)C1 ZINC001275118760 912349061 /nfs/dbraw/zinc/34/90/61/912349061.db2.gz IIQJKXAIVXVRLZ-RBUKOAKNSA-N 1 2 385.524 3.886 20 30 GHEDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F)c1c(F)cncc1F ZINC000285612534 912362056 /nfs/dbraw/zinc/36/20/56/912362056.db2.gz JVPCFCFGNCRITL-RITPCOANSA-N 1 2 395.278 3.733 20 30 GHEDLO COC1(c2noc(CC3CC[NH+](Cc4ccc(F)cc4C#N)CC3)n2)CCCC1 ZINC000852787915 878601256 /nfs/dbraw/zinc/60/12/56/878601256.db2.gz YMVLSLILDYCXII-UHFFFAOYSA-N 1 2 398.482 3.951 20 30 GHEDLO O=C(c1ccsc1)N1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000177262290 878624529 /nfs/dbraw/zinc/62/45/29/878624529.db2.gz RBAJEWZGMXHJSY-UHFFFAOYSA-N 1 2 392.446 3.967 20 30 GHEDLO O=C(c1ccsc1)N1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000177262290 878624541 /nfs/dbraw/zinc/62/45/41/878624541.db2.gz RBAJEWZGMXHJSY-UHFFFAOYSA-N 1 2 392.446 3.967 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)c1C ZINC000178051764 878972492 /nfs/dbraw/zinc/97/24/92/878972492.db2.gz AIGZKVHHUDVRIA-HXUWFJFHSA-N 1 2 393.531 3.616 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)c1C ZINC000178051764 878972504 /nfs/dbraw/zinc/97/25/04/878972504.db2.gz AIGZKVHHUDVRIA-HXUWFJFHSA-N 1 2 393.531 3.616 20 30 GHEDLO C[N@@H+](Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cn1cccc(C#N)c1=O ZINC000789560702 879088731 /nfs/dbraw/zinc/08/87/31/879088731.db2.gz PEBPTFBBXCZZRS-UHFFFAOYSA-N 1 2 389.299 3.847 20 30 GHEDLO C[N@H+](Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cn1cccc(C#N)c1=O ZINC000789560702 879088751 /nfs/dbraw/zinc/08/87/51/879088751.db2.gz PEBPTFBBXCZZRS-UHFFFAOYSA-N 1 2 389.299 3.847 20 30 GHEDLO CC[N@H+](Cc1cc(Br)cc(Br)c1N)C[C@H](C)C#N ZINC000186640290 880941922 /nfs/dbraw/zinc/94/19/22/880941922.db2.gz PDNXQNIGUVAXKJ-SECBINFHSA-N 1 2 375.108 3.775 20 30 GHEDLO CC[N@@H+](Cc1cc(Br)cc(Br)c1N)C[C@H](C)C#N ZINC000186640290 880941913 /nfs/dbraw/zinc/94/19/13/880941913.db2.gz PDNXQNIGUVAXKJ-SECBINFHSA-N 1 2 375.108 3.775 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000248721288 881214556 /nfs/dbraw/zinc/21/45/56/881214556.db2.gz ONXFSCGGECOZHX-FPTDNZKUSA-N 1 2 393.512 3.567 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000248721288 881214569 /nfs/dbraw/zinc/21/45/69/881214569.db2.gz ONXFSCGGECOZHX-FPTDNZKUSA-N 1 2 393.512 3.567 20 30 GHEDLO C#CCOc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000249097427 912682289 /nfs/dbraw/zinc/68/22/89/912682289.db2.gz VRFUXCYYGFZJMU-UYAOXDASSA-N 1 2 385.414 3.544 20 30 GHEDLO C#CCOc1ccccc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000249097427 912682294 /nfs/dbraw/zinc/68/22/94/912682294.db2.gz VRFUXCYYGFZJMU-UYAOXDASSA-N 1 2 385.414 3.544 20 30 GHEDLO N#Cc1cccc(OCCCCC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000609514049 883281302 /nfs/dbraw/zinc/28/13/02/883281302.db2.gz VAFMBDRLVVVJDP-UHFFFAOYSA-N 1 2 383.517 3.513 20 30 GHEDLO N#Cc1cnc2c(F)ccc(F)c2c1NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000610274509 883391660 /nfs/dbraw/zinc/39/16/60/883391660.db2.gz VAGGMOYUMJKBJB-UHFFFAOYSA-N 1 2 379.345 3.743 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(C(F)(F)F)CC2)cc1 ZINC000476926288 883409870 /nfs/dbraw/zinc/40/98/70/883409870.db2.gz CEGWMXGHQMEKRL-UHFFFAOYSA-N 1 2 383.414 3.606 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCCOC(C)(C)C1 ZINC000609766679 883655773 /nfs/dbraw/zinc/65/57/73/883655773.db2.gz CNEHASHFQZSOSP-CQSZACIVSA-N 1 2 375.538 3.717 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCCOC(C)(C)C1 ZINC000609766679 883655783 /nfs/dbraw/zinc/65/57/83/883655783.db2.gz CNEHASHFQZSOSP-CQSZACIVSA-N 1 2 375.538 3.717 20 30 GHEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000805785864 884070576 /nfs/dbraw/zinc/07/05/76/884070576.db2.gz KDYDTSPKPBCBBU-NQIIRXRSSA-N 1 2 381.545 3.771 20 30 GHEDLO Cc1nc(C[NH+]2CCC(C(=O)OC[C@H](C#N)Cc3cccs3)CC2)cs1 ZINC000805906802 884191406 /nfs/dbraw/zinc/19/14/06/884191406.db2.gz ZYTRYGNKFSYHPH-HNNXBMFYSA-N 1 2 389.546 3.651 20 30 GHEDLO CN(CC/C=C/c1cccnc1)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183835855 912839851 /nfs/dbraw/zinc/83/98/51/912839851.db2.gz OKWMNQPKOHODCY-YNYHDPJCSA-N 1 2 388.515 3.870 20 30 GHEDLO CN(CC/C=C/c1cccnc1)C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183835855 912839868 /nfs/dbraw/zinc/83/98/68/912839868.db2.gz OKWMNQPKOHODCY-YNYHDPJCSA-N 1 2 388.515 3.870 20 30 GHEDLO CC(C)(C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccc(C#N)cc1 ZINC000861403156 885470350 /nfs/dbraw/zinc/47/03/50/885470350.db2.gz PPMYWYDLNROXRU-UHFFFAOYSA-N 1 2 376.504 3.775 20 30 GHEDLO C=CCn1c2nn(C[N@@H+](CCC(C)C)C3CC3)c(=S)n2c2ccccc2c1=O ZINC000026626068 885706399 /nfs/dbraw/zinc/70/63/99/885706399.db2.gz MIXKAJLHRMLYPM-UHFFFAOYSA-N 1 2 397.548 3.834 20 30 GHEDLO C=CCn1c2nn(C[N@H+](CCC(C)C)C3CC3)c(=S)n2c2ccccc2c1=O ZINC000026626068 885706404 /nfs/dbraw/zinc/70/64/04/885706404.db2.gz MIXKAJLHRMLYPM-UHFFFAOYSA-N 1 2 397.548 3.834 20 30 GHEDLO COCC[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)Cc1ccc(C#N)cc1 ZINC000532524094 885885950 /nfs/dbraw/zinc/88/59/50/885885950.db2.gz KTFAJXKVGHCODL-UHFFFAOYSA-N 1 2 392.286 3.952 20 30 GHEDLO COCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)Cc1ccc(C#N)cc1 ZINC000532524094 885885959 /nfs/dbraw/zinc/88/59/59/885885959.db2.gz KTFAJXKVGHCODL-UHFFFAOYSA-N 1 2 392.286 3.952 20 30 GHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)C3(c4cccc(C#N)c4)CC3)n2)C1 ZINC000532525877 885890571 /nfs/dbraw/zinc/89/05/71/885890571.db2.gz XNXRVOLAHXBQOX-HNNXBMFYSA-N 1 2 380.517 3.917 20 30 GHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)C3(c4cccc(C#N)c4)CC3)n2)C1 ZINC000532525877 885890587 /nfs/dbraw/zinc/89/05/87/885890587.db2.gz XNXRVOLAHXBQOX-HNNXBMFYSA-N 1 2 380.517 3.917 20 30 GHEDLO N#Cc1ccccc1OC1CCC([NH2+][C@H](c2cccs2)c2nnc[nH]2)CC1 ZINC000550700712 885927612 /nfs/dbraw/zinc/92/76/12/885927612.db2.gz LTNRZYHRUIUUBO-LADRWXRNSA-N 1 2 379.489 3.807 20 30 GHEDLO C=CCc1cc(C[NH2+]Cc2cn(-c3ccccc3C)nn2)cc(OC)c1OC ZINC000808387643 886318305 /nfs/dbraw/zinc/31/83/05/886318305.db2.gz WXXPJQPFFNHULU-UHFFFAOYSA-N 1 2 378.476 3.611 20 30 GHEDLO C[C@H](c1ccco1)[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000119263049 886504215 /nfs/dbraw/zinc/50/42/15/886504215.db2.gz QUXSGJHVMIGPKJ-OAHLLOKOSA-N 1 2 390.405 3.992 20 30 GHEDLO C[C@H](c1ccco1)[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000119263049 886504227 /nfs/dbraw/zinc/50/42/27/886504227.db2.gz QUXSGJHVMIGPKJ-OAHLLOKOSA-N 1 2 390.405 3.992 20 30 GHEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)cc1 ZINC000808778539 886764522 /nfs/dbraw/zinc/76/45/22/886764522.db2.gz ZLNGQNXFASNLRF-OALUTQOASA-N 1 2 392.377 3.564 20 30 GHEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCO[C@H](c3cccc(OC(F)(F)F)c3)C2)cc1 ZINC000808778539 886764536 /nfs/dbraw/zinc/76/45/36/886764536.db2.gz ZLNGQNXFASNLRF-OALUTQOASA-N 1 2 392.377 3.564 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](CN3C[C@@H](c4ccccc4)OC3=O)CC2)cc1 ZINC000863260218 886973551 /nfs/dbraw/zinc/97/35/51/886973551.db2.gz UQNSXAMLOSIJKB-NRFANRHFSA-N 1 2 377.444 3.552 20 30 GHEDLO N#CCC[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1 ZINC000132214247 887633524 /nfs/dbraw/zinc/63/35/24/887633524.db2.gz MKUNXJRAOWXSHD-IBGZPJMESA-N 1 2 377.423 3.856 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccccc1)Cn1nc(C(=O)OC)c(Br)c1C ZINC000794650035 887723572 /nfs/dbraw/zinc/72/35/72/887723572.db2.gz GNXGBPDYDHRQJQ-UHFFFAOYSA-N 1 2 392.297 3.776 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccccc1)Cn1nc(C(=O)OC)c(Br)c1C ZINC000794650035 887723583 /nfs/dbraw/zinc/72/35/83/887723583.db2.gz GNXGBPDYDHRQJQ-UHFFFAOYSA-N 1 2 392.297 3.776 20 30 GHEDLO C[C@H]1CC[N@H+](Cc2cccc(OCCCC#N)c2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000809768788 887759328 /nfs/dbraw/zinc/75/93/28/887759328.db2.gz ATVLSNGWFWEHDG-MPGHIAIKSA-N 1 2 397.441 3.647 20 30 GHEDLO C[C@H]1CC[N@@H+](Cc2cccc(OCCCC#N)c2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000809768788 887759342 /nfs/dbraw/zinc/75/93/42/887759342.db2.gz ATVLSNGWFWEHDG-MPGHIAIKSA-N 1 2 397.441 3.647 20 30 GHEDLO C[NH+](C)Cc1cnc(/C=C2/Cc3c(c(Br)ccc3F)C2=O)s1 ZINC000794699900 887874230 /nfs/dbraw/zinc/87/42/30/887874230.db2.gz DBCOWWVNYNJIDW-TWGQIWQCSA-N 1 2 381.270 3.929 20 30 GHEDLO Cc1nsc(N2CC[NH+](Cc3cc(Cl)nc4ccccc34)CC2)c1C#N ZINC000810062637 888147276 /nfs/dbraw/zinc/14/72/76/888147276.db2.gz CHGWMCLFCMDRHX-UHFFFAOYSA-N 1 2 383.908 3.847 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CCC[C@@H](C(F)(F)F)C3)CC2)cc1 ZINC000026296670 888455952 /nfs/dbraw/zinc/45/59/52/888455952.db2.gz CONCMBUUMVHISJ-MSOLQXFVSA-N 1 2 394.441 3.507 20 30 GHEDLO COc1ccc2c(c1)CCC[N@@H+](CC(=O)Nc1ccccc1SCC#N)C2 ZINC000532949773 889363460 /nfs/dbraw/zinc/36/34/60/889363460.db2.gz SNHDRUUDIYIPOQ-UHFFFAOYSA-N 1 2 381.501 3.698 20 30 GHEDLO COc1ccc2c(c1)CCC[N@H+](CC(=O)Nc1ccccc1SCC#N)C2 ZINC000532949773 889363472 /nfs/dbraw/zinc/36/34/72/889363472.db2.gz SNHDRUUDIYIPOQ-UHFFFAOYSA-N 1 2 381.501 3.698 20 30 GHEDLO CC[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000454820017 889772475 /nfs/dbraw/zinc/77/24/75/889772475.db2.gz QFOIKKJLXDXTBX-VBZWBGKMSA-N 1 2 394.441 3.621 20 30 GHEDLO CC[N@H+]1CC[C@@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000454820017 889772487 /nfs/dbraw/zinc/77/24/87/889772487.db2.gz QFOIKKJLXDXTBX-VBZWBGKMSA-N 1 2 394.441 3.621 20 30 GHEDLO C[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@H]1CCCc2ccccc21 ZINC000917046814 890769954 /nfs/dbraw/zinc/76/99/54/890769954.db2.gz PZSDKJYGOIBZAR-QUCCMNQESA-N 1 2 386.455 3.521 20 30 GHEDLO C[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@H]1CCCc2ccccc21 ZINC000917046814 890769965 /nfs/dbraw/zinc/76/99/65/890769965.db2.gz PZSDKJYGOIBZAR-QUCCMNQESA-N 1 2 386.455 3.521 20 30 GHEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CC[C@@H](Oc4ccccc4Cl)C3)o2)c1 ZINC000533560301 890846008 /nfs/dbraw/zinc/84/60/08/890846008.db2.gz FHMSGDUBISLSIG-MRXNPFEDSA-N 1 2 380.835 3.915 20 30 GHEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CC[C@@H](Oc4ccccc4Cl)C3)o2)c1 ZINC000533560301 890846018 /nfs/dbraw/zinc/84/60/18/890846018.db2.gz FHMSGDUBISLSIG-MRXNPFEDSA-N 1 2 380.835 3.915 20 30 GHEDLO C[N@H+](CCc1cccc2ccccc21)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000533607530 890957485 /nfs/dbraw/zinc/95/74/85/890957485.db2.gz JVXCOUUMUNLJKO-UHFFFAOYSA-N 1 2 378.497 3.660 20 30 GHEDLO C[N@@H+](CCc1cccc2ccccc21)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000533607530 890957490 /nfs/dbraw/zinc/95/74/90/890957490.db2.gz JVXCOUUMUNLJKO-UHFFFAOYSA-N 1 2 378.497 3.660 20 30 GHEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000497490939 891697295 /nfs/dbraw/zinc/69/72/95/891697295.db2.gz YUDUJFWQKOQFCT-YCRPNKLZSA-N 1 2 389.927 3.678 20 30 GHEDLO C=CC[N@H+](CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O)C(C)C ZINC000917481102 892046543 /nfs/dbraw/zinc/04/65/43/892046543.db2.gz AZJBRQPWLKMVNE-HSZRJFAPSA-N 1 2 377.488 3.530 20 30 GHEDLO C=CC[N@@H+](CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O)C(C)C ZINC000917481102 892046559 /nfs/dbraw/zinc/04/65/59/892046559.db2.gz AZJBRQPWLKMVNE-HSZRJFAPSA-N 1 2 377.488 3.530 20 30 GHEDLO Cc1cccn2cc(CCNC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)[nH+]c12 ZINC000611571844 892268632 /nfs/dbraw/zinc/26/86/32/892268632.db2.gz QBUHKJHTFRZKDF-UHFFFAOYSA-N 1 2 385.471 3.556 20 30 GHEDLO C[C@@H](NC(=O)C[NH+]1CCC2(CC1)CC(=O)C=CO2)c1ccc(Cl)cc1Cl ZINC000933649179 893115376 /nfs/dbraw/zinc/11/53/76/893115376.db2.gz AOQXANVLAMCSDB-CYBMUJFWSA-N 1 2 397.302 3.508 20 30 GHEDLO C#C[C@@H]([NH2+]Cc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1)C1CCOCC1 ZINC000877638389 893737327 /nfs/dbraw/zinc/73/73/27/893737327.db2.gz XIOSTCWVBJZGLQ-OAQYLSRUSA-N 1 2 397.544 3.963 20 30 GHEDLO N#Cc1ccc(-c2nnc(C[NH2+][C@H](c3ccccc3)C3(CO)CCCC3)o2)cc1 ZINC000459531176 893744250 /nfs/dbraw/zinc/74/42/50/893744250.db2.gz NOXYUUVINCNQLY-OAQYLSRUSA-N 1 2 388.471 3.992 20 30 GHEDLO CCCc1nc(C)c(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)o1 ZINC000563496972 893827122 /nfs/dbraw/zinc/82/71/22/893827122.db2.gz JHDBNBDJGFPXQO-UHFFFAOYSA-N 1 2 375.476 3.678 20 30 GHEDLO CC(=O)[C@@](C#N)(CC[N@@H+](C)Cc1cc(Br)cn1C)c1ccccc1 ZINC000878188395 894080524 /nfs/dbraw/zinc/08/05/24/894080524.db2.gz HNJZQGGEBAFITN-IBGZPJMESA-N 1 2 388.309 3.660 20 30 GHEDLO CC(=O)[C@@](C#N)(CC[N@H+](C)Cc1cc(Br)cn1C)c1ccccc1 ZINC000878188395 894080544 /nfs/dbraw/zinc/08/05/44/894080544.db2.gz HNJZQGGEBAFITN-IBGZPJMESA-N 1 2 388.309 3.660 20 30 GHEDLO C=CCOC(=O)[C@@H](Cc1ccc(OC(C)(C)C)cc1)[NH2+][C@H]1CCCOCC1 ZINC001170801197 894169448 /nfs/dbraw/zinc/16/94/48/894169448.db2.gz QKUCOJYUISBMGE-AZUAARDMSA-N 1 2 375.509 3.663 20 30 GHEDLO COc1cc(C=NOCc2cccc(C[NH+]3CCOCC3)c2)ccc1OC(C)C ZINC000817376955 895551871 /nfs/dbraw/zinc/55/18/71/895551871.db2.gz GQAZNMVMXWCCEL-UHFFFAOYSA-N 1 2 398.503 3.865 20 30 GHEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CC[C@@H](OC(C)C)C2)c1C#N ZINC000565949819 896003812 /nfs/dbraw/zinc/00/38/12/896003812.db2.gz YLPNCQUTSYMSPL-LJQANCHMSA-N 1 2 398.482 3.543 20 30 GHEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CC[C@@H](OC(C)C)C2)c1C#N ZINC000565949819 896003823 /nfs/dbraw/zinc/00/38/23/896003823.db2.gz YLPNCQUTSYMSPL-LJQANCHMSA-N 1 2 398.482 3.543 20 30 GHEDLO Cc1nc(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)sc1SCC#N ZINC000568643693 898004073 /nfs/dbraw/zinc/00/40/73/898004073.db2.gz UJGHGGYJVKHFLX-ZDUSSCGKSA-N 1 2 380.926 3.962 20 30 GHEDLO COC(=O)c1ccc(C(=[NH2+])Nc2cnc(F)c(OCc3ccccc3)c2)cc1 ZINC001170984006 898291010 /nfs/dbraw/zinc/29/10/10/898291010.db2.gz JDKGVTFORSLVIM-UHFFFAOYSA-N 1 2 379.391 3.623 20 30 GHEDLO N#Cc1c(F)cccc1C[N@H+]1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000569768141 898937703 /nfs/dbraw/zinc/93/77/03/898937703.db2.gz PTNGTKZLKSFODS-UHFFFAOYSA-N 1 2 389.430 3.516 20 30 GHEDLO N#Cc1c(F)cccc1C[N@@H+]1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000569768141 898937717 /nfs/dbraw/zinc/93/77/17/898937717.db2.gz PTNGTKZLKSFODS-UHFFFAOYSA-N 1 2 389.430 3.516 20 30 GHEDLO C=CCn1c(CCCC)nnc1N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000571328812 899831077 /nfs/dbraw/zinc/83/10/77/899831077.db2.gz KASJIXGCXOAUAQ-UHFFFAOYSA-N 1 2 382.556 3.945 20 30 GHEDLO Cc1c(C#N)cccc1NC(=O)N1CCC2(C[C@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000333187298 900019627 /nfs/dbraw/zinc/01/96/27/900019627.db2.gz UQYPMMNWXPWKNJ-GOSISDBHSA-N 1 2 395.532 3.842 20 30 GHEDLO Cc1c(C#N)cccc1NC(=O)N1CCC2(C[C@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000333187298 900019642 /nfs/dbraw/zinc/01/96/42/900019642.db2.gz UQYPMMNWXPWKNJ-GOSISDBHSA-N 1 2 395.532 3.842 20 30 GHEDLO Cc1cc(C(O)=CONC(=[NH2+])COc2ccccc2)c(C)n1Cc1cccs1 ZINC000216041459 900227597 /nfs/dbraw/zinc/22/75/97/900227597.db2.gz FUOWQDVGEVYSBW-UHFFFAOYSA-N 1 2 397.500 3.765 20 30 GHEDLO N#Cc1cccc(Cl)c1C[NH+]1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 ZINC001143719242 900400338 /nfs/dbraw/zinc/40/03/38/900400338.db2.gz UIFGMBNSYHOOMN-UHFFFAOYSA-N 1 2 395.890 3.610 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886685052 901226225 /nfs/dbraw/zinc/22/62/25/901226225.db2.gz ZCTRRISORYQAGJ-IRXDYDNUSA-N 1 2 395.532 3.546 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886685052 901226242 /nfs/dbraw/zinc/22/62/42/901226242.db2.gz ZCTRRISORYQAGJ-IRXDYDNUSA-N 1 2 395.532 3.546 20 30 GHEDLO Cc1cc(C#N)cc(N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)n1 ZINC001186414578 914540685 /nfs/dbraw/zinc/54/06/85/914540685.db2.gz WATDQZDWFWZFTK-UHFFFAOYSA-N 1 2 386.253 3.521 20 30 GHEDLO N#CCCSc1ccccc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000126748648 902361941 /nfs/dbraw/zinc/36/19/41/902361941.db2.gz KHQVKNSVHBIQKB-LJQANCHMSA-N 1 2 381.501 3.532 20 30 GHEDLO N#CCCSc1ccccc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000126748648 902361956 /nfs/dbraw/zinc/36/19/56/902361956.db2.gz KHQVKNSVHBIQKB-LJQANCHMSA-N 1 2 381.501 3.532 20 30 GHEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000180041824 906673214 /nfs/dbraw/zinc/67/32/14/906673214.db2.gz VMOLGEMNORHUGV-INIZCTEOSA-N 1 2 379.464 3.684 20 30 GHEDLO N#CC1(NC(=O)c2cc3c(Cl)[nH]ccc-3n2)CC[NH+](Cc2ccccc2)CC1 ZINC001174599213 907128332 /nfs/dbraw/zinc/12/83/32/907128332.db2.gz AEZDYZUHZTXJIL-UHFFFAOYSA-N 1 2 393.878 3.504 20 30 GHEDLO CCC[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)Cc1ccc(F)cc1 ZINC000299373639 921305566 /nfs/dbraw/zinc/30/55/66/921305566.db2.gz LNJPRZKWUIVSCK-SFHVURJKSA-N 1 2 392.434 3.563 20 30 GHEDLO CCC[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)Cc1ccc(F)cc1 ZINC000299373639 921305567 /nfs/dbraw/zinc/30/55/67/921305567.db2.gz LNJPRZKWUIVSCK-SFHVURJKSA-N 1 2 392.434 3.563 20 30 GHEDLO C[C@H](C#N)OCCSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000801654796 921361008 /nfs/dbraw/zinc/36/10/08/921361008.db2.gz OHQAMRZGIBATRH-CHWSQXEVSA-N 1 2 379.917 3.564 20 30 GHEDLO CCc1ccc2c(c1)CC[N@H+]([C@H](C)C(=O)N(CCC#N)c1ccccc1OC)C2 ZINC001177008409 908360985 /nfs/dbraw/zinc/36/09/85/908360985.db2.gz JSEDNGAWXFFHSV-GOSISDBHSA-N 1 2 391.515 3.951 20 30 GHEDLO CCc1ccc2c(c1)CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c1ccccc1OC)C2 ZINC001177008409 908361000 /nfs/dbraw/zinc/36/10/00/908361000.db2.gz JSEDNGAWXFFHSV-GOSISDBHSA-N 1 2 391.515 3.951 20 30 GHEDLO N#Cc1ccc(-c2nnc(C[NH+]3CCC(C(=O)c4ccc(F)cc4)CC3)o2)cc1 ZINC000192467148 908791227 /nfs/dbraw/zinc/79/12/27/908791227.db2.gz AHXNIMUAQLXAPJ-UHFFFAOYSA-N 1 2 390.418 3.842 20 30 GHEDLO Cc1csc(CC(=[NH2+])NOC=C(O)c2cc(C)n(-c3cccc(C)c3)c2C)n1 ZINC000195673299 909030924 /nfs/dbraw/zinc/03/09/24/909030924.db2.gz DMCZVZFZYYXSIP-UHFFFAOYSA-N 1 2 396.516 3.882 20 30 GHEDLO CC[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccc(OC)c(OC)c1 ZINC000266528413 909206835 /nfs/dbraw/zinc/20/68/35/909206835.db2.gz LFLZCOBUWKZIHJ-UHFFFAOYSA-N 1 2 378.432 3.648 20 30 GHEDLO CC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccc(OC)c(OC)c1 ZINC000266528413 909206849 /nfs/dbraw/zinc/20/68/49/909206849.db2.gz LFLZCOBUWKZIHJ-UHFFFAOYSA-N 1 2 378.432 3.648 20 30 GHEDLO N#Cc1cc(NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)ccc1Br ZINC001179042058 909358971 /nfs/dbraw/zinc/35/89/71/909358971.db2.gz GTTUQNHGDFLRSI-GFCCVEGCSA-N 1 2 387.159 3.649 20 30 GHEDLO CCCCc1noc([C@H](C)[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000299591862 921489786 /nfs/dbraw/zinc/48/97/86/921489786.db2.gz DMVKNYOOORXTRD-HNNXBMFYSA-N 1 2 381.480 3.696 20 30 GHEDLO C=CCOc1ccc(C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2ccccc2)cc1OC ZINC000245721508 909857557 /nfs/dbraw/zinc/85/75/57/909857557.db2.gz DJJNBDHXIMWKDA-NHCUHLMSSA-N 1 2 383.488 3.585 20 30 GHEDLO C=CCOc1ccc(C[N@H+]2CCOC[C@H]2C[C@@H](O)c2ccccc2)cc1OC ZINC000245721508 909857574 /nfs/dbraw/zinc/85/75/74/909857574.db2.gz DJJNBDHXIMWKDA-NHCUHLMSSA-N 1 2 383.488 3.585 20 30 GHEDLO C#CC[N@@H+](Cc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1)Cc1ccccc1 ZINC001181638710 910865514 /nfs/dbraw/zinc/86/55/14/910865514.db2.gz UZZXQBQDSLDBGG-UHFFFAOYSA-N 1 2 381.476 3.644 20 30 GHEDLO C#CC[N@H+](Cc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1)Cc1ccccc1 ZINC001181638710 910865529 /nfs/dbraw/zinc/86/55/29/910865529.db2.gz UZZXQBQDSLDBGG-UHFFFAOYSA-N 1 2 381.476 3.644 20 30 GHEDLO C#CC[C@@H]([NH2+]Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1)c1ccccc1 ZINC000271683163 911013405 /nfs/dbraw/zinc/01/34/05/911013405.db2.gz IVFZSSQCROLPQU-QGZVFWFLSA-N 1 2 393.443 3.617 20 30 GHEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1nnn(-c2ccccc2)c1C1CC1 ZINC001182142213 911204515 /nfs/dbraw/zinc/20/45/15/911204515.db2.gz XQUDTFGSKZVPGE-UHFFFAOYSA-N 1 2 387.487 3.665 20 30 GHEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1nnn(-c2ccccc2)c1C1CC1 ZINC001182142213 911204532 /nfs/dbraw/zinc/20/45/32/911204532.db2.gz XQUDTFGSKZVPGE-UHFFFAOYSA-N 1 2 387.487 3.665 20 30 GHEDLO CCCCO[C@@H]1C[C@@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])C1(C)C ZINC000247383119 911220761 /nfs/dbraw/zinc/22/07/61/911220761.db2.gz UQBJNTUMSYQKII-RTBURBONSA-N 1 2 396.535 3.630 20 30 GHEDLO C=CCOc1ccccc1C(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000641986788 911646044 /nfs/dbraw/zinc/64/60/44/911646044.db2.gz WNWLJVJONNFREN-UHFFFAOYSA-N 1 2 380.488 3.526 20 30 GHEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3cc(C#N)ccc3Cl)CC2)cc1 ZINC000796654126 916601774 /nfs/dbraw/zinc/60/17/74/916601774.db2.gz BAHVVHAFLMDBJW-UHFFFAOYSA-N 1 2 382.895 3.676 20 30 GHEDLO N#Cc1cccc(SCC(=O)Nc2nc(C[NH+]3CCCC3)cs2)c1Cl ZINC001190157588 917158575 /nfs/dbraw/zinc/15/85/75/917158575.db2.gz ATASSRPWXRJLTR-UHFFFAOYSA-N 1 2 392.937 3.995 20 30 GHEDLO C#CCCOc1ccc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000296071279 917819957 /nfs/dbraw/zinc/81/99/57/917819957.db2.gz GPFRKVURCOTDTF-LJQANCHMSA-N 1 2 377.488 3.641 20 30 GHEDLO COc1cc([C@H](C)[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)ccc1OCCC(C)C ZINC000115597436 919457575 /nfs/dbraw/zinc/45/75/75/919457575.db2.gz GCECZMRWAOCGGV-AOMKIAJQSA-N 1 2 395.503 3.869 20 30 GHEDLO N#Cc1ccc(-c2ccn(CN3CC[NH+](Cc4ccc(Cl)cc4)CC3)n2)cc1 ZINC000116073786 919494992 /nfs/dbraw/zinc/49/49/92/919494992.db2.gz PKEUUYYHTXUVKU-UHFFFAOYSA-N 1 2 391.906 3.850 20 30 GHEDLO N#Cc1ccccc1OC1CCC(NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000117662153 919550348 /nfs/dbraw/zinc/55/03/48/919550348.db2.gz AIMNDZMCFFBFKS-UHFFFAOYSA-N 1 2 386.455 3.864 20 30 GHEDLO C=C[C@H](CC(=O)N1CCC[C@H]([N@H+](C)Cc2noc(C)n2)CC1)c1ccccc1 ZINC000364697922 919868470 /nfs/dbraw/zinc/86/84/70/919868470.db2.gz PSGSBBYQKMRMDC-QUCCMNQESA-N 1 2 382.508 3.551 20 30 GHEDLO C=C[C@H](CC(=O)N1CCC[C@H]([N@@H+](C)Cc2noc(C)n2)CC1)c1ccccc1 ZINC000364697922 919868484 /nfs/dbraw/zinc/86/84/84/919868484.db2.gz PSGSBBYQKMRMDC-QUCCMNQESA-N 1 2 382.508 3.551 20 30 GHEDLO CCC[C@H](NC(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1)c1ccccc1 ZINC000367066842 921903197 /nfs/dbraw/zinc/90/31/97/921903197.db2.gz OLZJMSIFCNCGEQ-FQEVSTJZSA-N 1 2 376.504 3.596 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000368787460 922874095 /nfs/dbraw/zinc/87/40/95/922874095.db2.gz WDGXYYRFXBNAJA-FUHWJXTLSA-N 1 2 387.549 3.768 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000368787460 922874107 /nfs/dbraw/zinc/87/41/07/922874107.db2.gz WDGXYYRFXBNAJA-FUHWJXTLSA-N 1 2 387.549 3.768 20 30 GHEDLO N#Cc1csc(C[NH2+][C@H](c2ccc(Br)cc2)[C@@H]2CCCO2)n1 ZINC000903263526 922889660 /nfs/dbraw/zinc/88/96/60/922889660.db2.gz NPDUZYOYGBGUKG-GOEBONIOSA-N 1 2 378.295 3.787 20 30 GHEDLO CC[C@H]([NH2+]CC1(OCCO)CCC(C(F)F)CC1)c1cccc(C#N)c1O ZINC000903262526 922889705 /nfs/dbraw/zinc/88/97/05/922889705.db2.gz HFVOXDCYJZJBSH-WSGJVKOYSA-N 1 2 382.451 3.508 20 30 GHEDLO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000409524075 924727956 /nfs/dbraw/zinc/72/79/56/924727956.db2.gz VXHNBMFUDAPRNM-ZDUSSCGKSA-N 1 2 395.276 3.571 20 30 GHEDLO N#Cc1nc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)ccc1C(F)(F)F ZINC000409732216 924938235 /nfs/dbraw/zinc/93/82/35/924938235.db2.gz MGFIXKHIXLLKKH-UHFFFAOYSA-N 1 2 397.404 3.974 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)Cc1cn2c([nH+]1)CCCC2 ZINC000372990166 925803329 /nfs/dbraw/zinc/80/33/29/925803329.db2.gz NAKLUAMZOHZZHM-INIZCTEOSA-N 1 2 397.548 3.542 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+](C)C[C@@H]2OCCc3ccccc32)cc1C ZINC000725805994 926449140 /nfs/dbraw/zinc/44/91/40/926449140.db2.gz OAXJYNKEYXYKRK-QHCPKHFHSA-N 1 2 391.515 3.796 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+](C)C[C@@H]2OCCc3ccccc32)cc1C ZINC000725805994 926449143 /nfs/dbraw/zinc/44/91/43/926449143.db2.gz OAXJYNKEYXYKRK-QHCPKHFHSA-N 1 2 391.515 3.796 20 30 GHEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)nc1-c1cccs1 ZINC000749802429 927281978 /nfs/dbraw/zinc/28/19/78/927281978.db2.gz XJSUJHREYMUCPN-CABCVRRESA-N 1 2 376.551 3.644 20 30 GHEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)nc1-c1cccs1 ZINC000749802429 927281990 /nfs/dbraw/zinc/28/19/90/927281990.db2.gz XJSUJHREYMUCPN-CABCVRRESA-N 1 2 376.551 3.644 20 30 GHEDLO Cc1ccc2c(C[NH+]3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)cc(=O)oc2c1 ZINC000750639183 927772556 /nfs/dbraw/zinc/77/25/56/927772556.db2.gz WEADMDKANNBQSH-NRFANRHFSA-N 1 2 391.446 3.623 20 30 GHEDLO Cc1n[nH]cc1C1CC[NH+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000375349573 928199360 /nfs/dbraw/zinc/19/93/60/928199360.db2.gz NQSGBGDTFRCEOM-HNNXBMFYSA-N 1 2 397.548 3.931 20 30 GHEDLO C=CCn1c(COc2ccccc2F)nn(C[N@H+]2C[C@H](C)[C@H](C)C2)c1=S ZINC000751930907 928487602 /nfs/dbraw/zinc/48/76/02/928487602.db2.gz VSYOSURBWSTGLC-GASCZTMLSA-N 1 2 376.501 3.863 20 30 GHEDLO C=CCn1c(COc2ccccc2F)nn(C[N@@H+]2C[C@H](C)[C@H](C)C2)c1=S ZINC000751930907 928487609 /nfs/dbraw/zinc/48/76/09/928487609.db2.gz VSYOSURBWSTGLC-GASCZTMLSA-N 1 2 376.501 3.863 20 30 GHEDLO C[C@@H](O[NH+]=C(N)c1ccc2c(c1)CCO2)c1nc(-c2ccc(Cl)cc2)no1 ZINC000753828945 929554462 /nfs/dbraw/zinc/55/44/62/929554462.db2.gz ASGMETNLLDMGJI-LLVKDONJSA-N 1 2 384.823 3.723 20 30 GHEDLO C#CC[C@H](NC(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1)c1ccccc1 ZINC000757777634 929797330 /nfs/dbraw/zinc/79/73/30/929797330.db2.gz HFTAUDVZULETEC-XXBNENTESA-N 1 2 391.515 3.848 20 30 GHEDLO C#CC[C@@H](NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)c1ccccc1 ZINC000757884376 929838637 /nfs/dbraw/zinc/83/86/37/929838637.db2.gz ZCFVISQIPZAXIB-PGRDOPGGSA-N 1 2 377.488 3.966 20 30 GHEDLO CCCC[C@H](ON=C(C)C)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000758053121 929904106 /nfs/dbraw/zinc/90/41/06/929904106.db2.gz SEVKUNKJEBBPES-PXNSSMCTSA-N 1 2 375.513 3.990 20 30 GHEDLO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)c1 ZINC000758311059 930007194 /nfs/dbraw/zinc/00/71/94/930007194.db2.gz SFCRSKWZQLEABO-OAHLLOKOSA-N 1 2 392.908 3.714 20 30 GHEDLO CC(=O)Nc1cccc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c1 ZINC000470995347 931084095 /nfs/dbraw/zinc/08/40/95/931084095.db2.gz OVOCNFINFJSRGA-NRFANRHFSA-N 1 2 382.895 3.681 20 30 GHEDLO C=CCS(=O)(=O)CC[NH2+][C@H](c1ccc(OC)cc1)c1ccccc1Cl ZINC000783536248 931575094 /nfs/dbraw/zinc/57/50/94/931575094.db2.gz JPLDYSHZHNRMML-LJQANCHMSA-N 1 2 379.909 3.628 20 30 GHEDLO CCS(=O)(=O)Nc1ccc(C(=O)/C=C\c2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000783706485 931623535 /nfs/dbraw/zinc/62/35/35/931623535.db2.gz HXRVIAWKWGINHZ-FPLPWBNLSA-N 1 2 387.486 3.592 20 30 GHEDLO S=C(NCCc1ccc(Cl)cc1)NN=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000783811347 931663491 /nfs/dbraw/zinc/66/34/91/931663491.db2.gz SMYOEQVEABYDIC-UHFFFAOYSA-N 1 2 389.937 3.628 20 30 GHEDLO C=C(C)[C@H]1CC=C(COC(=O)[C@@H]2CCC(=O)N(CCC)[C@H]2c2c[nH+]cn2C)CC1 ZINC000796747393 932051925 /nfs/dbraw/zinc/05/19/25/932051925.db2.gz PJHAZTSVYKXBML-NNMXDRDESA-N 1 2 399.535 3.956 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000799194885 932909103 /nfs/dbraw/zinc/90/91/03/932909103.db2.gz ABFVAQHHDZKSJB-IRXDYDNUSA-N 1 2 380.517 3.761 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000799194885 932909109 /nfs/dbraw/zinc/90/91/09/932909109.db2.gz ABFVAQHHDZKSJB-IRXDYDNUSA-N 1 2 380.517 3.761 20 30 GHEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+](C)[C@@H]2CC[C@@H](SC)C2)c1=S ZINC001116292753 933460927 /nfs/dbraw/zinc/46/09/27/933460927.db2.gz DGWKLUOJURQNDO-HUUCEWRRSA-N 1 2 375.567 3.835 20 30 GHEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+](C)[C@@H]2CC[C@@H](SC)C2)c1=S ZINC001116292753 933460935 /nfs/dbraw/zinc/46/09/35/933460935.db2.gz DGWKLUOJURQNDO-HUUCEWRRSA-N 1 2 375.567 3.835 20 30 GHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001117588657 933959342 /nfs/dbraw/zinc/95/93/42/933959342.db2.gz AEDFPKKNKWCXCU-UHFFFAOYSA-N 1 2 399.558 3.933 20 30 GHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001117588657 933959348 /nfs/dbraw/zinc/95/93/48/933959348.db2.gz AEDFPKKNKWCXCU-UHFFFAOYSA-N 1 2 399.558 3.933 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC2(C1)CCOCC2 ZINC001121581055 934704787 /nfs/dbraw/zinc/70/47/87/934704787.db2.gz GQVKPNDLVBQDGE-IBGZPJMESA-N 1 2 395.551 3.664 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC2(C1)CCOCC2 ZINC001121581055 934704792 /nfs/dbraw/zinc/70/47/92/934704792.db2.gz GQVKPNDLVBQDGE-IBGZPJMESA-N 1 2 395.551 3.664 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(CC)Cc1ccccc1 ZINC001121584012 934707005 /nfs/dbraw/zinc/70/70/05/934707005.db2.gz CSZMQAOZEKSLRA-UHFFFAOYSA-N 1 2 378.524 3.584 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@H]1c1ccccc1Cl ZINC001121620677 934717344 /nfs/dbraw/zinc/71/73/44/934717344.db2.gz RDJXUSKKONJJCU-KRWDZBQOSA-N 1 2 382.899 3.783 20 30 GHEDLO C=C[C@](C)(O)CC(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000562175630 934745144 /nfs/dbraw/zinc/74/51/44/934745144.db2.gz GZHWIGORGUPOOD-GOTSBHOMSA-N 1 2 398.934 3.901 20 30 GHEDLO C=C(C)Cn1c(Nc2cnn(C3CCCC3)c2)nnc1[C@H]1C[N@H+](C(C)C)CCO1 ZINC001122543755 934895223 /nfs/dbraw/zinc/89/52/23/934895223.db2.gz OGYIJTAPKCMZDM-LJQANCHMSA-N 1 2 399.543 3.691 20 30 GHEDLO C=C(C)Cn1c(Nc2cnn(C3CCCC3)c2)nnc1[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001122543755 934895229 /nfs/dbraw/zinc/89/52/29/934895229.db2.gz OGYIJTAPKCMZDM-LJQANCHMSA-N 1 2 399.543 3.691 20 30 GHEDLO COc1cc(C#N)ccc1NC(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001123417137 935187905 /nfs/dbraw/zinc/18/79/05/935187905.db2.gz XXBUKDAVMCSNON-MRXNPFEDSA-N 1 2 381.480 3.930 20 30 GHEDLO C#CCOc1cccc(Cl)c1C[NH+]1CC(C)(c2nnc(-c3cccnc3)o2)C1 ZINC000828044238 935569161 /nfs/dbraw/zinc/56/91/61/935569161.db2.gz MEXLNYZMDLSSQQ-UHFFFAOYSA-N 1 2 394.862 3.571 20 30 GHEDLO N#Cc1ccc(CN2CC[NH+](Cc3cccc(F)c3)CC2)c(Br)c1 ZINC001137636569 935651594 /nfs/dbraw/zinc/65/15/94/935651594.db2.gz CYBRPGUPHAOYEZ-UHFFFAOYSA-N 1 2 388.284 3.778 20 30 GHEDLO COc1ccc(C[N@@H+]2CCC[C@H](N3Cc4ccccc4NC3=O)C2)c(C#N)c1 ZINC001137706709 935736304 /nfs/dbraw/zinc/73/63/04/935736304.db2.gz NGHJMRWXLMQMJD-IBGZPJMESA-N 1 2 376.460 3.579 20 30 GHEDLO COc1ccc(C[N@H+]2CCC[C@H](N3Cc4ccccc4NC3=O)C2)c(C#N)c1 ZINC001137706709 935736308 /nfs/dbraw/zinc/73/63/08/935736308.db2.gz NGHJMRWXLMQMJD-IBGZPJMESA-N 1 2 376.460 3.579 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H](c1ncccn1)C1CC1 ZINC000932358337 1018221952 /nfs/dbraw/zinc/22/19/52/1018221952.db2.gz WXJKGPNYCTYHDR-KUHUBIRLSA-N 1 2 381.505 3.550 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[NH+](Cc2cccc(Nc3cncc(C#N)c3)c2)CC1 ZINC001204315504 1032759498 /nfs/dbraw/zinc/75/94/98/1032759498.db2.gz BEHXKMJKDFQRLT-UHFFFAOYSA-N 1 2 393.491 3.750 20 30 GHEDLO CSCC1CC[NH+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000932591350 1018500593 /nfs/dbraw/zinc/50/05/93/1018500593.db2.gz NTJICODIDZEXIV-OAHLLOKOSA-N 1 2 377.579 3.952 20 30 GHEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000569419096 1019486226 /nfs/dbraw/zinc/48/62/26/1019486226.db2.gz AKNJWPPFMPVEGF-XLIONFOSSA-N 1 2 380.492 3.989 20 30 GHEDLO O=C(C#Cc1ccc(C(F)(F)F)cc1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000188325289 1020437290 /nfs/dbraw/zinc/43/72/90/1020437290.db2.gz CQNNUVHZGOBKLO-UHFFFAOYSA-N 1 2 383.373 3.618 20 30 GHEDLO CCOC(=O)c1csc([C@@H]2CCC[N@@H+]2CCCOc2cccc(C#N)c2)n1 ZINC000191459055 1020767365 /nfs/dbraw/zinc/76/73/65/1020767365.db2.gz VWJAJYAIFSMJSC-SFHVURJKSA-N 1 2 385.489 3.797 20 30 GHEDLO CCOC(=O)c1csc([C@@H]2CCC[N@H+]2CCCOc2cccc(C#N)c2)n1 ZINC000191459055 1020767373 /nfs/dbraw/zinc/76/73/73/1020767373.db2.gz VWJAJYAIFSMJSC-SFHVURJKSA-N 1 2 385.489 3.797 20 30 GHEDLO Cn1c2ccccc2n(C2CC[NH+](Cc3cc(C#N)ccc3Cl)CC2)c1=O ZINC001140601506 1022047474 /nfs/dbraw/zinc/04/74/74/1022047474.db2.gz RGEYPOQHBOMRSH-UHFFFAOYSA-N 1 2 380.879 3.702 20 30 GHEDLO N#Cc1cccc(C[N@H+]2Cc3cncn3C[C@H](COc3cccnc3)C2)c1Cl ZINC001140813889 1022611554 /nfs/dbraw/zinc/61/15/54/1022611554.db2.gz UWDUZOQGAMSENE-MRXNPFEDSA-N 1 2 393.878 3.514 20 30 GHEDLO N#Cc1cccc(C[N@@H+]2Cc3cncn3C[C@H](COc3cccnc3)C2)c1Cl ZINC001140813889 1022611558 /nfs/dbraw/zinc/61/15/58/1022611558.db2.gz UWDUZOQGAMSENE-MRXNPFEDSA-N 1 2 393.878 3.514 20 30 GHEDLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000755042654 1023040512 /nfs/dbraw/zinc/04/05/12/1023040512.db2.gz TXWPVCKIBUBMMY-OAHLLOKOSA-N 1 2 394.313 3.762 20 30 GHEDLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000755042654 1023040523 /nfs/dbraw/zinc/04/05/23/1023040523.db2.gz TXWPVCKIBUBMMY-OAHLLOKOSA-N 1 2 394.313 3.762 20 30 GHEDLO C[C@H](C#N)OCC[N@H+](Cc1ccccn1)Cc1ccc(Br)cc1F ZINC000831043129 1024327636 /nfs/dbraw/zinc/32/76/36/1024327636.db2.gz LMDQGRDTDGINSN-CQSZACIVSA-N 1 2 392.272 3.914 20 30 GHEDLO C[C@H](C#N)OCC[N@@H+](Cc1ccccn1)Cc1ccc(Br)cc1F ZINC000831043129 1024327646 /nfs/dbraw/zinc/32/76/46/1024327646.db2.gz LMDQGRDTDGINSN-CQSZACIVSA-N 1 2 392.272 3.914 20 30 GHEDLO COc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC000831193534 1024414572 /nfs/dbraw/zinc/41/45/72/1024414572.db2.gz MTDSOEBYJCUNPD-IEBWSBKVSA-N 1 2 387.842 3.535 20 30 GHEDLO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC000831193534 1024414583 /nfs/dbraw/zinc/41/45/83/1024414583.db2.gz MTDSOEBYJCUNPD-IEBWSBKVSA-N 1 2 387.842 3.535 20 30 GHEDLO CC1(C)C[N@@H+](C2CN(Cc3ccc(Oc4ccc(C#N)cc4)cc3)C2)CCO1 ZINC001141295354 1024431710 /nfs/dbraw/zinc/43/17/10/1024431710.db2.gz BRCAMPCFQKIMJM-UHFFFAOYSA-N 1 2 377.488 3.646 20 30 GHEDLO CC1(C)C[N@H+](C2CN(Cc3ccc(Oc4ccc(C#N)cc4)cc3)C2)CCO1 ZINC001141295354 1024431719 /nfs/dbraw/zinc/43/17/19/1024431719.db2.gz BRCAMPCFQKIMJM-UHFFFAOYSA-N 1 2 377.488 3.646 20 30 GHEDLO CC1(C)CN(C2C[NH+](Cc3ccc(Oc4ccc(C#N)cc4)cc3)C2)CCO1 ZINC001141295354 1024431733 /nfs/dbraw/zinc/43/17/33/1024431733.db2.gz BRCAMPCFQKIMJM-UHFFFAOYSA-N 1 2 377.488 3.646 20 30 GHEDLO COc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)cc1Br ZINC001138294794 1024572088 /nfs/dbraw/zinc/57/20/88/1024572088.db2.gz CUBUMBXMHXQNTB-UHFFFAOYSA-N 1 2 386.293 3.652 20 30 GHEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1cncn1Cc1ccccc1)CCO2 ZINC001138563507 1025031197 /nfs/dbraw/zinc/03/11/97/1025031197.db2.gz ZPCUKHPYGFIHKS-JTHBVZDNSA-N 1 2 381.520 3.505 20 30 GHEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1cncn1Cc1ccccc1)CCO2 ZINC001138563507 1025031204 /nfs/dbraw/zinc/03/12/04/1025031204.db2.gz ZPCUKHPYGFIHKS-JTHBVZDNSA-N 1 2 381.520 3.505 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](Cc3cccc(Oc4ncccn4)c3)CC2)c(F)c1 ZINC001138621553 1025117417 /nfs/dbraw/zinc/11/74/17/1025117417.db2.gz UGVQFPKEAHPNHO-UHFFFAOYSA-N 1 2 389.434 3.602 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(OCC)c(OCC)c1 ZINC001138975019 1025698288 /nfs/dbraw/zinc/69/82/88/1025698288.db2.gz XTLFSAJPTWWBSA-LJQANCHMSA-N 1 2 385.508 3.520 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(OCC)c(OCC)c1 ZINC001138975019 1025698296 /nfs/dbraw/zinc/69/82/96/1025698296.db2.gz XTLFSAJPTWWBSA-LJQANCHMSA-N 1 2 385.508 3.520 20 30 GHEDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(C#N)ccc1Br ZINC001141664412 1026183681 /nfs/dbraw/zinc/18/36/81/1026183681.db2.gz KHQDZZRCSHBXDI-DOMZBBRYSA-N 1 2 394.313 3.808 20 30 GHEDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1cc(C#N)ccc1Br ZINC001141664412 1026183688 /nfs/dbraw/zinc/18/36/88/1026183688.db2.gz KHQDZZRCSHBXDI-DOMZBBRYSA-N 1 2 394.313 3.808 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@H](N3Cc4ccccc4C3=O)C2)c1 ZINC001141664573 1026184253 /nfs/dbraw/zinc/18/42/53/1026184253.db2.gz RBKSOUOYWVOAJB-KRWDZBQOSA-N 1 2 396.288 3.551 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@H+]2CC[C@H](N3Cc4ccccc4C3=O)C2)c1 ZINC001141664573 1026184261 /nfs/dbraw/zinc/18/42/61/1026184261.db2.gz RBKSOUOYWVOAJB-KRWDZBQOSA-N 1 2 396.288 3.551 20 30 GHEDLO N#Cc1ccnc(N2CC[NH+](Cc3c[nH]c4cccc(Br)c34)CC2)c1 ZINC001139966544 1026768733 /nfs/dbraw/zinc/76/87/33/1026768733.db2.gz XBTDNCZKZDPTTN-UHFFFAOYSA-N 1 2 396.292 3.519 20 30 GHEDLO Cc1cccc(N2CCC[C@]3(C2)CN(c2[nH+]ccc4[nH]cc(C#N)c42)CCO3)c1 ZINC001165743552 1026815635 /nfs/dbraw/zinc/81/56/35/1026815635.db2.gz DYFDKGUJGRTAHR-QHCPKHFHSA-N 1 2 387.487 3.619 20 30 GHEDLO N#Cc1ccc2cc[nH+]c(N3CCO[C@@H]4C[C@H](COc5ccccn5)C[C@@H]43)c2c1 ZINC001166014151 1026894836 /nfs/dbraw/zinc/89/48/36/1026894836.db2.gz BYKXWQYHKRPQMF-JRGCBEDISA-N 1 2 386.455 3.564 20 30 GHEDLO N#Cc1ccc2cc[nH+]c(N3CCC4(CC3)C(=O)NC[C@H]4c3ccccc3)c2c1 ZINC001166022451 1026900419 /nfs/dbraw/zinc/90/04/19/1026900419.db2.gz USRMXEFZROCSMZ-NRFANRHFSA-N 1 2 382.467 3.607 20 30 GHEDLO CC(C)(C)OC(=O)NC1CCN(c2[nH+]cccc2Nc2cccnc2C#N)CC1 ZINC001210142719 1027356641 /nfs/dbraw/zinc/35/66/41/1027356641.db2.gz HJILMEGORULODL-UHFFFAOYSA-N 1 2 394.479 3.585 20 30 GHEDLO N#Cc1cc(F)ccc1Nc1cncnc1[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001210550845 1027552820 /nfs/dbraw/zinc/55/28/20/1027552820.db2.gz LPDXCROYRXDOMR-OAQYLSRUSA-N 1 2 389.434 3.804 20 30 GHEDLO N#Cc1cc(F)ccc1Nc1cncnc1[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001210550845 1027552830 /nfs/dbraw/zinc/55/28/30/1027552830.db2.gz LPDXCROYRXDOMR-OAQYLSRUSA-N 1 2 389.434 3.804 20 30 GHEDLO CSc1nc(C[N@@H+]2CCCC[C@@H](NC(=O)OC(C)(C)C)C2)ccc1C#N ZINC001141931717 1027691324 /nfs/dbraw/zinc/69/13/24/1027691324.db2.gz JMBOGMKDCDSKFJ-OAHLLOKOSA-N 1 2 376.526 3.554 20 30 GHEDLO CSc1nc(C[N@H+]2CCCC[C@@H](NC(=O)OC(C)(C)C)C2)ccc1C#N ZINC001141931717 1027691327 /nfs/dbraw/zinc/69/13/27/1027691327.db2.gz JMBOGMKDCDSKFJ-OAHLLOKOSA-N 1 2 376.526 3.554 20 30 GHEDLO CSc1nc(C[N@@H+]2CCC[C@@]3(CCN3C(=O)OC(C)(C)C)C2)ccc1C#N ZINC001141931992 1027691661 /nfs/dbraw/zinc/69/16/61/1027691661.db2.gz PYMGZQACCYQGMC-HXUWFJFHSA-N 1 2 388.537 3.651 20 30 GHEDLO CSc1nc(C[N@H+]2CCC[C@@]3(CCN3C(=O)OC(C)(C)C)C2)ccc1C#N ZINC001141931992 1027691678 /nfs/dbraw/zinc/69/16/78/1027691678.db2.gz PYMGZQACCYQGMC-HXUWFJFHSA-N 1 2 388.537 3.651 20 30 GHEDLO CSc1nc(C[N@@H+]2C[C@H](NC(=O)OC(C)(C)C)CC[C@@H]2C)ccc1C#N ZINC001141941238 1027715581 /nfs/dbraw/zinc/71/55/81/1027715581.db2.gz AQWUBLDDDXTTHW-XJKSGUPXSA-N 1 2 376.526 3.553 20 30 GHEDLO CSc1nc(C[N@H+]2C[C@H](NC(=O)OC(C)(C)C)CC[C@@H]2C)ccc1C#N ZINC001141941238 1027715596 /nfs/dbraw/zinc/71/55/96/1027715596.db2.gz AQWUBLDDDXTTHW-XJKSGUPXSA-N 1 2 376.526 3.553 20 30 GHEDLO CCN(c1ccccc1)S(=O)(=O)c1ccc(NNC(C)=C2CC2(F)F)[nH+]c1 ZINC000841611984 1028775028 /nfs/dbraw/zinc/77/50/28/1028775028.db2.gz DKRMDWRWWFKQBM-INIZCTEOSA-N 1 2 394.447 3.740 20 30 GHEDLO N#Cc1ccc(F)c(Nc2cncnc2[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC001214590727 1028810382 /nfs/dbraw/zinc/81/03/82/1028810382.db2.gz UTEFQHNACBZCLT-OAQYLSRUSA-N 1 2 389.434 3.804 20 30 GHEDLO N#Cc1ccc(F)c(Nc2cncnc2[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC001214590727 1028810401 /nfs/dbraw/zinc/81/04/01/1028810401.db2.gz UTEFQHNACBZCLT-OAQYLSRUSA-N 1 2 389.434 3.804 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+](Cc3c(Cl)ncnc3Cl)CC2)C1=O ZINC001276742927 1029685445 /nfs/dbraw/zinc/68/54/45/1029685445.db2.gz LIFFGEQCSRUILP-SFHVURJKSA-N 1 2 383.323 3.564 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+](Cc3c(Cl)ncnc3Cl)CC2)C1=O ZINC001276742927 1029685450 /nfs/dbraw/zinc/68/54/50/1029685450.db2.gz LIFFGEQCSRUILP-SFHVURJKSA-N 1 2 383.323 3.564 20 30 GHEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(Cl)ccc1OC(F)F ZINC001276827383 1029965536 /nfs/dbraw/zinc/96/55/36/1029965536.db2.gz GIEJPGZVGQPTCM-LJQANCHMSA-N 1 2 382.838 3.532 20 30 GHEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Cl)ccc1OC(F)F ZINC001276827383 1029965538 /nfs/dbraw/zinc/96/55/38/1029965538.db2.gz GIEJPGZVGQPTCM-LJQANCHMSA-N 1 2 382.838 3.532 20 30 GHEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(Cl)c(OCC)c(Cl)c1 ZINC001276959832 1030949822 /nfs/dbraw/zinc/94/98/22/1030949822.db2.gz LDWCFZKNRYIFPW-HXUWFJFHSA-N 1 2 395.330 3.982 20 30 GHEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Cl)c(OCC)c(Cl)c1 ZINC001276959832 1030949823 /nfs/dbraw/zinc/94/98/23/1030949823.db2.gz LDWCFZKNRYIFPW-HXUWFJFHSA-N 1 2 395.330 3.982 20 30 GHEDLO C=C(C)CN1CC2(CCC1=O)CC[NH+](Cc1cc(Cl)c(O)cc1F)CC2 ZINC001277057551 1031501447 /nfs/dbraw/zinc/50/14/47/1031501447.db2.gz UUQYFFRFRBDQQW-UHFFFAOYSA-N 1 2 380.891 3.965 20 30 GHEDLO COc1cccc(CC#N)c1O[C@@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC001225841687 1031644181 /nfs/dbraw/zinc/64/41/81/1031644181.db2.gz ILKKEFWBVCKQFS-CQSZACIVSA-N 1 2 377.897 3.915 20 30 GHEDLO COc1cccc(CC#N)c1O[C@@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC001225841687 1031644199 /nfs/dbraw/zinc/64/41/99/1031644199.db2.gz ILKKEFWBVCKQFS-CQSZACIVSA-N 1 2 377.897 3.915 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001225892434 1031678521 /nfs/dbraw/zinc/67/85/21/1031678521.db2.gz BQXPZFSQFKZWBF-OAHLLOKOSA-N 1 2 392.337 3.534 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001225892434 1031678528 /nfs/dbraw/zinc/67/85/28/1031678528.db2.gz BQXPZFSQFKZWBF-OAHLLOKOSA-N 1 2 392.337 3.534 20 30 GHEDLO N#Cc1cc(C[NH+]2CCN(c3ccc(OC(F)(F)F)cc3)CC2)ccc1F ZINC001205513671 1033446754 /nfs/dbraw/zinc/44/67/54/1033446754.db2.gz KYQLCNHLQLVRDA-UHFFFAOYSA-N 1 2 379.357 3.918 20 30 GHEDLO C=CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cc(C)c(Cl)cc1Cl)C2 ZINC001277443638 1033883268 /nfs/dbraw/zinc/88/32/68/1033883268.db2.gz RLYIMXSOMPXUET-LJQANCHMSA-N 1 2 383.319 3.539 20 30 GHEDLO C=CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1cc(C)c(Cl)cc1Cl)C2 ZINC001277443638 1033883284 /nfs/dbraw/zinc/88/32/84/1033883284.db2.gz RLYIMXSOMPXUET-LJQANCHMSA-N 1 2 383.319 3.539 20 30 GHEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2c(F)ccc(C)c2Br)C1=O ZINC001277456753 1034082523 /nfs/dbraw/zinc/08/25/23/1034082523.db2.gz VYQSKUTWTUHQAU-SFHVURJKSA-N 1 2 381.289 3.650 20 30 GHEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2c(F)ccc(C)c2Br)C1=O ZINC001277456753 1034082539 /nfs/dbraw/zinc/08/25/39/1034082539.db2.gz VYQSKUTWTUHQAU-SFHVURJKSA-N 1 2 381.289 3.650 20 30 GHEDLO C=CCN(CC[NH+](Cc1cccnc1)Cc1cccnc1)C(=O)OC(C)(C)C ZINC001207206659 1034174625 /nfs/dbraw/zinc/17/46/25/1034174625.db2.gz XQKPCCXENBBIKH-UHFFFAOYSA-N 1 2 382.508 3.902 20 30 GHEDLO COc1cc(C#N)ccc1C[N@H+]1Cc2ncn(C)c2[C@H](COCC2CCCC2)C1 ZINC001231618277 1034776550 /nfs/dbraw/zinc/77/65/50/1034776550.db2.gz FNEHFSLCDAGNRX-FQEVSTJZSA-N 1 2 394.519 3.607 20 30 GHEDLO COc1cc(C#N)ccc1C[N@@H+]1Cc2ncn(C)c2[C@H](COCC2CCCC2)C1 ZINC001231618277 1034776566 /nfs/dbraw/zinc/77/65/66/1034776566.db2.gz FNEHFSLCDAGNRX-FQEVSTJZSA-N 1 2 394.519 3.607 20 30 GHEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(Cl)cc(Br)c1 ZINC001276570155 1034949390 /nfs/dbraw/zinc/94/93/90/1034949390.db2.gz ZKQHGBFHVNSKDB-GOSISDBHSA-N 1 2 395.728 3.693 20 30 GHEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Cl)cc(Br)c1 ZINC001276570155 1034949392 /nfs/dbraw/zinc/94/93/92/1034949392.db2.gz ZKQHGBFHVNSKDB-GOSISDBHSA-N 1 2 395.728 3.693 20 30 GHEDLO CS(=O)(=O)c1ccc([C@@H](Nc2cc(CC#N)cc[nH+]2)c2ccccc2)cc1 ZINC001160357096 1034953976 /nfs/dbraw/zinc/95/39/76/1034953976.db2.gz VESQAWCGUROBON-NRFANRHFSA-N 1 2 377.469 3.753 20 30 GHEDLO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cc(Br)ncc1F)C2 ZINC001231916995 1034989362 /nfs/dbraw/zinc/98/93/62/1034989362.db2.gz UTKAKQRMXRPFPY-AEFFLSMTSA-N 1 2 399.304 3.557 20 30 GHEDLO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1cc(Br)ncc1F)C2 ZINC001231916995 1034989365 /nfs/dbraw/zinc/98/93/65/1034989365.db2.gz UTKAKQRMXRPFPY-AEFFLSMTSA-N 1 2 399.304 3.557 20 30 GHEDLO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cc(Br)ncc1F)C2 ZINC001231916996 1034989495 /nfs/dbraw/zinc/98/94/95/1034989495.db2.gz UTKAKQRMXRPFPY-FUHWJXTLSA-N 1 2 399.304 3.557 20 30 GHEDLO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1cc(Br)ncc1F)C2 ZINC001231916996 1034989498 /nfs/dbraw/zinc/98/94/98/1034989498.db2.gz UTKAKQRMXRPFPY-FUHWJXTLSA-N 1 2 399.304 3.557 20 30 GHEDLO O=C1C=C2C[N@H+](Cc3ccc(Br)c4cccnc34)CC[C@@H]2S1 ZINC001231952490 1035003384 /nfs/dbraw/zinc/00/33/84/1035003384.db2.gz ISCPDBARKDIFQE-HNNXBMFYSA-N 1 2 375.291 3.771 20 30 GHEDLO O=C1C=C2C[N@@H+](Cc3ccc(Br)c4cccnc34)CC[C@@H]2S1 ZINC001231952490 1035003391 /nfs/dbraw/zinc/00/33/91/1035003391.db2.gz ISCPDBARKDIFQE-HNNXBMFYSA-N 1 2 375.291 3.771 20 30 GHEDLO C#C[C@@H](NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC001160816876 1035071850 /nfs/dbraw/zinc/07/18/50/1035071850.db2.gz TYWDADLRKIZEHH-HXUWFJFHSA-N 1 2 378.863 3.753 20 30 GHEDLO CC[N@H+](Cc1cn(Cc2ccc(OC)cc2)nn1)[C@H](C)c1ccc(C#N)cc1 ZINC001461955541 1069912797 /nfs/dbraw/zinc/91/27/97/1069912797.db2.gz PCIGJLAIZYLILA-QGZVFWFLSA-N 1 2 375.476 3.790 20 30 GHEDLO CC[N@@H+](Cc1cn(Cc2ccc(OC)cc2)nn1)[C@H](C)c1ccc(C#N)cc1 ZINC001461955541 1069912802 /nfs/dbraw/zinc/91/28/02/1069912802.db2.gz PCIGJLAIZYLILA-QGZVFWFLSA-N 1 2 375.476 3.790 20 30 GHEDLO C=CCOC[C@H]1C[N@@H+](Cc2c[nH]c3ccc(C)cc23)Cc2nnn(CC3CC3)c21 ZINC001209496773 1035293042 /nfs/dbraw/zinc/29/30/42/1035293042.db2.gz ZPTJTYFZOXQDJM-LJQANCHMSA-N 1 2 391.519 3.780 20 30 GHEDLO C=CCOC[C@H]1C[N@H+](Cc2c[nH]c3ccc(C)cc23)Cc2nnn(CC3CC3)c21 ZINC001209496773 1035293046 /nfs/dbraw/zinc/29/30/46/1035293046.db2.gz ZPTJTYFZOXQDJM-LJQANCHMSA-N 1 2 391.519 3.780 20 30 GHEDLO C#CCOc1cccc(Cl)c1C[N@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001462015188 1069946711 /nfs/dbraw/zinc/94/67/11/1069946711.db2.gz OUKPLANECJNIQJ-UHFFFAOYSA-N 1 2 378.900 3.795 20 30 GHEDLO C#CCOc1cccc(Cl)c1C[N@@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001462015188 1069946713 /nfs/dbraw/zinc/94/67/13/1069946713.db2.gz OUKPLANECJNIQJ-UHFFFAOYSA-N 1 2 378.900 3.795 20 30 GHEDLO C=C[C@@H](CC(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1)c1ccccc1 ZINC001462234460 1070107890 /nfs/dbraw/zinc/10/78/90/1070107890.db2.gz NRSRLVONAPDCCT-GMAHTHKFSA-N 1 2 378.516 3.672 20 30 GHEDLO C=C[C@@H](CC(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1)c1ccccc1 ZINC001462234460 1070107894 /nfs/dbraw/zinc/10/78/94/1070107894.db2.gz NRSRLVONAPDCCT-GMAHTHKFSA-N 1 2 378.516 3.672 20 30 GHEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H]2O[C@@H](COCc3ccccn3)CC[C@H]21 ZINC001232607799 1038390667 /nfs/dbraw/zinc/39/06/67/1038390667.db2.gz XQSNSSLCQYQFKH-YPAWHYETSA-N 1 2 397.906 3.945 20 30 GHEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H]2O[C@@H](COCc3ccccn3)CC[C@H]21 ZINC001232607799 1038390680 /nfs/dbraw/zinc/39/06/80/1038390680.db2.gz XQSNSSLCQYQFKH-YPAWHYETSA-N 1 2 397.906 3.945 20 30 GHEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC2(CCC(=O)N2Cc2ccncc2)CC1 ZINC001232607448 1038390967 /nfs/dbraw/zinc/39/09/67/1038390967.db2.gz JQHTZKDUEXCFOU-UHFFFAOYSA-N 1 2 394.906 3.764 20 30 GHEDLO CCCNC(=O)c1ccccc1OC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001232892439 1038680753 /nfs/dbraw/zinc/68/07/53/1038680753.db2.gz KIUYLBLJVAYDLO-UHFFFAOYSA-N 1 2 395.478 3.881 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3F)CC2)c(O)c1 ZINC001233387027 1039210623 /nfs/dbraw/zinc/21/06/23/1039210623.db2.gz QWRCYNRPIDDMAU-UHFFFAOYSA-N 1 2 379.357 3.744 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1c(F)cc(C#N)cc1F)C2 ZINC001235662830 1041113566 /nfs/dbraw/zinc/11/35/66/1041113566.db2.gz JZRTZIDQTRVMLS-ZSBFGKGUSA-N 1 2 377.435 3.572 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1c(F)cc(C#N)cc1F)C2 ZINC001235662830 1041113574 /nfs/dbraw/zinc/11/35/74/1041113574.db2.gz JZRTZIDQTRVMLS-ZSBFGKGUSA-N 1 2 377.435 3.572 20 30 GHEDLO CN(C)/C=[NH+]/c1ccc(-c2cc(F)c(C(=O)N3CCCC3)c(F)c2)cc1C#N ZINC001235986513 1041487555 /nfs/dbraw/zinc/48/75/55/1041487555.db2.gz NBEZFJKTCGRIPK-DHRITJCHSA-N 1 2 382.414 3.961 20 30 GHEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1c(Br)ccnc1Cl)CC2 ZINC001236587416 1041768659 /nfs/dbraw/zinc/76/86/59/1041768659.db2.gz FCDMWLUYLGTWBP-UHFFFAOYSA-N 1 2 398.732 3.641 20 30 GHEDLO Cc1ccc(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)c(C)c1Br ZINC001462566393 1070371955 /nfs/dbraw/zinc/37/19/55/1070371955.db2.gz WXFQPJDXLIHHCC-UHFFFAOYSA-N 1 2 385.309 3.655 20 30 GHEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1ccc(OC)c(Cl)c1O)CCO2 ZINC001236813526 1041913013 /nfs/dbraw/zinc/91/30/13/1041913013.db2.gz OAUSNTUJWLNCOW-OXJNMPFZSA-N 1 2 381.900 3.628 20 30 GHEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1ccc(OC)c(Cl)c1O)CCO2 ZINC001236813526 1041913015 /nfs/dbraw/zinc/91/30/15/1041913015.db2.gz OAUSNTUJWLNCOW-OXJNMPFZSA-N 1 2 381.900 3.628 20 30 GHEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3c(O)ccc(Cl)c3Cl)C2)CC1 ZINC001237077867 1042023925 /nfs/dbraw/zinc/02/39/25/1042023925.db2.gz LHNYNPNOAXLUEH-UHFFFAOYSA-N 1 2 385.291 3.919 20 30 GHEDLO N#Cc1cc(C[NH+]2CCN(c3ccc(-c4ncccn4)cc3)CC2)ccc1Cl ZINC001238196832 1042516936 /nfs/dbraw/zinc/51/69/36/1042516936.db2.gz VZDMJWFSFDPIBL-UHFFFAOYSA-N 1 2 389.890 3.991 20 30 GHEDLO COc1cc(C[NH+]2CCN(Cc3cccc(C(F)(F)F)c3)CC2)ccc1C#N ZINC001238412289 1042587776 /nfs/dbraw/zinc/58/77/76/1042587776.db2.gz DPKZLYMPWGJDKC-UHFFFAOYSA-N 1 2 389.421 3.903 20 30 GHEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1Cc1c(C)cc(OC(C)C)cc1C ZINC001238678324 1042681420 /nfs/dbraw/zinc/68/14/20/1042681420.db2.gz QJBBHECJUQPCFU-NRFANRHFSA-N 1 2 384.524 3.521 20 30 GHEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1Cc1c(C)cc(OC(C)C)cc1C ZINC001238678324 1042681424 /nfs/dbraw/zinc/68/14/24/1042681424.db2.gz QJBBHECJUQPCFU-NRFANRHFSA-N 1 2 384.524 3.521 20 30 GHEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+]([C@H]1COc3ccc(Cl)cc3C1)CCO2 ZINC001257964789 1044284289 /nfs/dbraw/zinc/28/42/89/1044284289.db2.gz RHFKIGUMEZZNDK-YFVAEKQCSA-N 1 2 377.912 3.717 20 30 GHEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+]([C@H]1COc3ccc(Cl)cc3C1)CCO2 ZINC001257964789 1044284304 /nfs/dbraw/zinc/28/43/04/1044284304.db2.gz RHFKIGUMEZZNDK-YFVAEKQCSA-N 1 2 377.912 3.717 20 30 GHEDLO C#C[C@@H]([NH2+]Cc1ccc(OCC(=O)OCC)cc1)c1ccc(Cl)cc1F ZINC001261181263 1045913696 /nfs/dbraw/zinc/91/36/96/1045913696.db2.gz SNMNQMAJCXOHCM-LJQANCHMSA-N 1 2 375.827 3.885 20 30 GHEDLO Cc1ccc([C@H]2C[C@@H](C)N(c3nnc(C4CC[NH+](CCC#N)CC4)n3C)C2)cc1 ZINC001262873426 1046394250 /nfs/dbraw/zinc/39/42/50/1046394250.db2.gz HSJGRIPVZHJGKP-NQIIRXRSSA-N 1 2 392.551 3.599 20 30 GHEDLO N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC001263305117 1046703509 /nfs/dbraw/zinc/70/35/09/1046703509.db2.gz RLIJFWMGSFGFHJ-QGZVFWFLSA-N 1 2 385.851 3.880 20 30 GHEDLO Cn1cc(CN2C[C@H]3C[C@@H](C2)[N@H+](Cc2cc(Cl)ccc2Cl)C3)cc1C#N ZINC001279350316 1047776695 /nfs/dbraw/zinc/77/66/95/1047776695.db2.gz FLLSEZTUIXBIPO-BEFAXECRSA-N 1 2 389.330 3.910 20 30 GHEDLO Cn1cc(CN2C[C@H]3C[C@@H](C2)[N@@H+](Cc2cc(Cl)ccc2Cl)C3)cc1C#N ZINC001279350316 1047776704 /nfs/dbraw/zinc/77/67/04/1047776704.db2.gz FLLSEZTUIXBIPO-BEFAXECRSA-N 1 2 389.330 3.910 20 30 GHEDLO Cn1cc(C[NH+]2CC3(CN(Cc4cc(Cl)ccc4Cl)C3)C2)cc1C#N ZINC001279350624 1047777369 /nfs/dbraw/zinc/77/73/69/1047777369.db2.gz JMPXZOXUANGLEZ-UHFFFAOYSA-N 1 2 375.303 3.521 20 30 GHEDLO N#CC1(NC(=O)[C@@]23C[C@@H]2CC[N@H+]3CCc2ccc(Cl)cc2Cl)CCC1 ZINC001280103485 1048081382 /nfs/dbraw/zinc/08/13/82/1048081382.db2.gz RZBYSVHLTMDNJY-IFXJQAMLSA-N 1 2 378.303 3.563 20 30 GHEDLO N#CC1(NC(=O)[C@@]23C[C@@H]2CC[N@@H+]3CCc2ccc(Cl)cc2Cl)CCC1 ZINC001280103485 1048081396 /nfs/dbraw/zinc/08/13/96/1048081396.db2.gz RZBYSVHLTMDNJY-IFXJQAMLSA-N 1 2 378.303 3.563 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](Cc3cccc(F)c3)CC2)c(F)c1Br ZINC001307085948 1049064316 /nfs/dbraw/zinc/06/43/16/1049064316.db2.gz MVIZFQUUARPKAO-UHFFFAOYSA-N 1 2 392.247 3.921 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@@H](NC(=O)c3ccccc3)C2)c1 ZINC001307491242 1049330380 /nfs/dbraw/zinc/33/03/80/1049330380.db2.gz VSYUVJZVLBWDGG-GOSISDBHSA-N 1 2 398.304 3.715 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@@H](NC(=O)c3ccccc3)C2)c1 ZINC001307491242 1049330392 /nfs/dbraw/zinc/33/03/92/1049330392.db2.gz VSYUVJZVLBWDGG-GOSISDBHSA-N 1 2 398.304 3.715 20 30 GHEDLO C=CC[N@@H+](CC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2)C1CC1 ZINC001307608854 1049447829 /nfs/dbraw/zinc/44/78/29/1049447829.db2.gz ZBSIQGRBWUTDLU-ZDUSSCGKSA-N 1 2 376.522 3.639 20 30 GHEDLO C=CC[N@H+](CC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2)C1CC1 ZINC001307608854 1049447838 /nfs/dbraw/zinc/44/78/38/1049447838.db2.gz ZBSIQGRBWUTDLU-ZDUSSCGKSA-N 1 2 376.522 3.639 20 30 GHEDLO N#Cc1ccccc1NC1CC[NH+](Cc2nc(Cc3ccc(F)cc3)no2)CC1 ZINC001307966290 1049727331 /nfs/dbraw/zinc/72/73/31/1049727331.db2.gz GQOKHRKCCHMWHR-UHFFFAOYSA-N 1 2 391.450 3.748 20 30 GHEDLO COc1ccc(C[N@H+](CCCO)Cc2ccc(C#N)cc2Br)cc1 ZINC001308145999 1049883319 /nfs/dbraw/zinc/88/33/19/1049883319.db2.gz VTCAKUZPLCAECJ-UHFFFAOYSA-N 1 2 389.293 3.714 20 30 GHEDLO COc1ccc(C[N@@H+](CCCO)Cc2ccc(C#N)cc2Br)cc1 ZINC001308145999 1049883323 /nfs/dbraw/zinc/88/33/23/1049883323.db2.gz VTCAKUZPLCAECJ-UHFFFAOYSA-N 1 2 389.293 3.714 20 30 GHEDLO C=CC[C@@H]1N(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCCC1(C)C ZINC001311347074 1052044528 /nfs/dbraw/zinc/04/45/28/1052044528.db2.gz CTTVJMNAPXXXTQ-SFTDATJTSA-N 1 2 385.552 3.664 20 30 GHEDLO C=CC[C@@H]1N(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCCC1(C)C ZINC001311347074 1052044531 /nfs/dbraw/zinc/04/45/31/1052044531.db2.gz CTTVJMNAPXXXTQ-SFTDATJTSA-N 1 2 385.552 3.664 20 30 GHEDLO Cc1cccc(CCCn2c([C@H]3CCCO3)nnc2N2CCC(CC#N)CC2)[nH+]1 ZINC001492527764 1052192143 /nfs/dbraw/zinc/19/21/43/1052192143.db2.gz SEENJLMHSWWUNI-HXUWFJFHSA-N 1 2 394.523 3.596 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCCO[C@@H](c2ccccc2)C1 ZINC001342674763 1053293222 /nfs/dbraw/zinc/29/32/22/1053293222.db2.gz REDZFNXNPDGYBR-WOJBJXKFSA-N 1 2 381.524 3.589 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCCO[C@@H](c2ccccc2)C1 ZINC001342674763 1053293230 /nfs/dbraw/zinc/29/32/30/1053293230.db2.gz REDZFNXNPDGYBR-WOJBJXKFSA-N 1 2 381.524 3.589 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001343768616 1054010530 /nfs/dbraw/zinc/01/05/30/1054010530.db2.gz NQBSHXSKNSTYRA-GOSISDBHSA-N 1 2 375.561 3.795 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001343768616 1054010542 /nfs/dbraw/zinc/01/05/42/1054010542.db2.gz NQBSHXSKNSTYRA-GOSISDBHSA-N 1 2 375.561 3.795 20 30 GHEDLO C[NH+]1CCN(c2ccc(Nc3c(C#N)cccc3C#N)cc2Br)CC1 ZINC001343782587 1054025166 /nfs/dbraw/zinc/02/51/66/1054025166.db2.gz HEBAEOPEIXRTPY-UHFFFAOYSA-N 1 2 396.292 3.688 20 30 GHEDLO C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1CCCc1cccc(C)[nH+]1 ZINC001300583286 1056545644 /nfs/dbraw/zinc/54/56/44/1056545644.db2.gz FOZDUTGSQGTPBY-UHFFFAOYSA-N 1 2 377.536 3.666 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(CC)cc3)n2CC2(C)CCCC2)CC1 ZINC001300690829 1056884634 /nfs/dbraw/zinc/88/46/34/1056884634.db2.gz RILDCSVFXVVVBF-UHFFFAOYSA-N 1 2 391.563 3.843 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC=C(C)C)CC1 ZINC001300691182 1056887157 /nfs/dbraw/zinc/88/71/57/1056887157.db2.gz YSQWSKQXPUYSHX-UHFFFAOYSA-N 1 2 383.927 3.710 20 30 GHEDLO CCN(Cc1ccccc1Cl)c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001355481067 1057178977 /nfs/dbraw/zinc/17/89/77/1057178977.db2.gz VHKQJOZBKZJDOJ-UHFFFAOYSA-N 1 2 386.931 3.588 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 ZINC001356238629 1057442818 /nfs/dbraw/zinc/44/28/18/1057442818.db2.gz JMYYWGIGTKOIOL-HSALFYBXSA-N 1 2 398.555 3.549 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 ZINC001356239176 1057443827 /nfs/dbraw/zinc/44/38/27/1057443827.db2.gz PBQBMOCJHDTQIZ-ZCNNSNEGSA-N 1 2 398.555 3.692 20 30 GHEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCC[C@@H]2CCC[C@H]21 ZINC001357145159 1057615603 /nfs/dbraw/zinc/61/56/03/1057615603.db2.gz URELIPQFGDWQCX-NMLBUPMWSA-N 1 2 385.556 3.549 20 30 GHEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCC[C@@H]2CCC[C@H]21 ZINC001357145159 1057615611 /nfs/dbraw/zinc/61/56/11/1057615611.db2.gz URELIPQFGDWQCX-NMLBUPMWSA-N 1 2 385.556 3.549 20 30 GHEDLO C=CCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC001337649799 1058203952 /nfs/dbraw/zinc/20/39/52/1058203952.db2.gz LZJUFZJPVQNMJV-IEBWSBKVSA-N 1 2 378.472 3.522 20 30 GHEDLO C=CCO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC001337649799 1058203969 /nfs/dbraw/zinc/20/39/69/1058203969.db2.gz LZJUFZJPVQNMJV-IEBWSBKVSA-N 1 2 378.472 3.522 20 30 GHEDLO C=CCN(Cc1cccs1)c1nnc(C2CC[NH+](CCC#N)CC2)n1CC ZINC001340153072 1059729322 /nfs/dbraw/zinc/72/93/22/1059729322.db2.gz YEVQCEHXGFHJKH-UHFFFAOYSA-N 1 2 384.553 3.645 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@H](C2CCOCC2)C1 ZINC001346627350 1061744662 /nfs/dbraw/zinc/74/46/62/1061744662.db2.gz LSEPEXSTTSXSID-VQTJNVASSA-N 1 2 387.572 3.654 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@H](C2CCOCC2)C1 ZINC001346627350 1061744677 /nfs/dbraw/zinc/74/46/77/1061744677.db2.gz LSEPEXSTTSXSID-VQTJNVASSA-N 1 2 387.572 3.654 20 30 GHEDLO CC(C)C[C@H](c1nnc(N2CCC[C@H](CC#N)C2)n1CC1CC1)n1cc[nH+]c1 ZINC001348072068 1062905983 /nfs/dbraw/zinc/90/59/83/1062905983.db2.gz HFONJPLTRSBAAL-IEBWSBKVSA-N 1 2 381.528 3.650 20 30 GHEDLO N#Cc1ccc(Cc2cnc(NC(=O)Cc3ccc(-n4cc[nH+]c4)cc3)s2)cc1 ZINC001457503295 1063213637 /nfs/dbraw/zinc/21/36/37/1063213637.db2.gz LIZLMLVVVBCYCG-UHFFFAOYSA-N 1 2 399.479 3.972 20 30 GHEDLO N#Cc1cncnc1NC[C@H](c1ccc(Cl)cc1)[N@@H+]1CCc2sccc2C1 ZINC001458100245 1063565370 /nfs/dbraw/zinc/56/53/70/1063565370.db2.gz RUHQMPYZIODZAQ-GOSISDBHSA-N 1 2 395.919 3.697 20 30 GHEDLO N#Cc1cncnc1NC[C@H](c1ccc(Cl)cc1)[N@H+]1CCc2sccc2C1 ZINC001458100245 1063565387 /nfs/dbraw/zinc/56/53/87/1063565387.db2.gz RUHQMPYZIODZAQ-GOSISDBHSA-N 1 2 395.919 3.697 20 30 GHEDLO C=CCC[C@@H](O)C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1OC ZINC001460003944 1064336946 /nfs/dbraw/zinc/33/69/46/1064336946.db2.gz IFBZWFKEKSLXCZ-MJGOQNOKSA-N 1 2 390.524 3.616 20 30 GHEDLO C=CCC[C@@H](O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1OC ZINC001460003944 1064336950 /nfs/dbraw/zinc/33/69/50/1064336950.db2.gz IFBZWFKEKSLXCZ-MJGOQNOKSA-N 1 2 390.524 3.616 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](C[C@H](O)c3ccc(Cl)c(F)c3)CC2)c(Cl)c1 ZINC001460024283 1064354749 /nfs/dbraw/zinc/35/47/49/1064354749.db2.gz HHOHNAUGYIHYSI-IBGZPJMESA-N 1 2 394.277 3.860 20 30 GHEDLO C=CCn1c([C@@H]2CCC[N@@H+]2Cc2ccccc2)nnc1N1CCC[C@H](C#N)C1 ZINC001351828393 1064630130 /nfs/dbraw/zinc/63/01/30/1064630130.db2.gz BDYSLDRJFAIMJT-UXHICEINSA-N 1 2 376.508 3.541 20 30 GHEDLO C=CCn1c([C@@H]2CCC[N@H+]2Cc2ccccc2)nnc1N1CCC[C@H](C#N)C1 ZINC001351828393 1064630135 /nfs/dbraw/zinc/63/01/35/1064630135.db2.gz BDYSLDRJFAIMJT-UXHICEINSA-N 1 2 376.508 3.541 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 ZINC001351949892 1064726188 /nfs/dbraw/zinc/72/61/88/1064726188.db2.gz UGMHHBKGCNHTCZ-ICSRJNTNSA-N 1 2 382.556 3.574 20 30 GHEDLO C=CCn1c([C@H](OC)C2CCCC2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001351993529 1064751823 /nfs/dbraw/zinc/75/18/23/1064751823.db2.gz WAVKNXFPKRPQJJ-HXUWFJFHSA-N 1 2 396.539 3.818 20 30 GHEDLO CCOC(=O)[C@@H](Cc1ccccc1Cl)[NH2+]CCCC1(C#N)CCOCC1 ZINC001352915267 1065451065 /nfs/dbraw/zinc/45/10/65/1065451065.db2.gz AKQSRJOIRBKYCN-GOSISDBHSA-N 1 2 378.900 3.504 20 30 GHEDLO C#CCN(C)c1nnc(-c2cccc(Cl)c2)n1CCc1cn2ccccc2[nH+]1 ZINC001300439849 1066336661 /nfs/dbraw/zinc/33/66/61/1066336661.db2.gz JLQFGJZWQTVXLY-UHFFFAOYSA-N 1 2 390.878 3.558 20 30 GHEDLO N#CCc1cccc(NC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)n1 ZINC001467208773 1067153571 /nfs/dbraw/zinc/15/35/71/1067153571.db2.gz YICFUDFDKDOSPH-UHFFFAOYSA-N 1 2 394.866 3.732 20 30 GHEDLO C#C[C@@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1Cc1c[nH+]ccc1OC ZINC001358873541 1067589930 /nfs/dbraw/zinc/58/99/30/1067589930.db2.gz KUTINXGRYOWLPV-YLJYHZDGSA-N 1 2 389.503 3.730 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@H](CC=C)c2ccccc2)CC1 ZINC001359028879 1067658836 /nfs/dbraw/zinc/65/88/36/1067658836.db2.gz HXLPHNLBPVAFRP-OAQYLSRUSA-N 1 2 391.563 3.691 20 30 GHEDLO C=C(C)CN(CC)c1nnc(CC(C)C)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001359113735 1067692936 /nfs/dbraw/zinc/69/29/36/1067692936.db2.gz PIEPTKWQULTTHN-UHFFFAOYSA-N 1 2 382.556 3.923 20 30 GHEDLO N#Cc1ccccc1OCC[N@H+]1CCc2ccc(F)c(Br)c2C1 ZINC001460492304 1068978975 /nfs/dbraw/zinc/97/89/75/1068978975.db2.gz DJIPRKCXWLBAKR-UHFFFAOYSA-N 1 2 375.241 3.897 20 30 GHEDLO N#Cc1ccccc1OCC[N@@H+]1CCc2ccc(F)c(Br)c2C1 ZINC001460492304 1068978987 /nfs/dbraw/zinc/97/89/87/1068978987.db2.gz DJIPRKCXWLBAKR-UHFFFAOYSA-N 1 2 375.241 3.897 20 30 GHEDLO C=CCCC(C)(C)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC001478351774 1078827019 /nfs/dbraw/zinc/82/70/19/1078827019.db2.gz KLQFWGCQMGFOOA-QZTJIDSGSA-N 1 2 379.932 3.756 20 30 GHEDLO C=CCCC(C)(C)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC001478351774 1078827029 /nfs/dbraw/zinc/82/70/29/1078827029.db2.gz KLQFWGCQMGFOOA-QZTJIDSGSA-N 1 2 379.932 3.756 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(c3nc4c(s3)CCC4)CC2)c(C#N)c1C ZINC001460883955 1069251988 /nfs/dbraw/zinc/25/19/88/1069251988.db2.gz BMDKJFYLKYFQCP-ZDUSSCGKSA-N 1 2 398.532 3.920 20 30 GHEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCCC[C@@H]2Cc2ccccc2F)c1 ZINC001473619595 1074051876 /nfs/dbraw/zinc/05/18/76/1074051876.db2.gz HTCPGRVAILXQDJ-LJQANCHMSA-N 1 2 386.492 3.568 20 30 GHEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCCC[C@@H]2Cc2ccccc2F)c1 ZINC001473619595 1074051886 /nfs/dbraw/zinc/05/18/86/1074051886.db2.gz HTCPGRVAILXQDJ-LJQANCHMSA-N 1 2 386.492 3.568 20 30 GHEDLO CC(C)(C)c1csc(CC2CC[NH+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)n1 ZINC001473633786 1074059922 /nfs/dbraw/zinc/05/99/22/1074059922.db2.gz YYRSVZNWBKZSPS-HXUWFJFHSA-N 1 2 396.560 3.793 20 30 GHEDLO Cc1[nH]c([C@H]2CCCN2CC(=O)N(CCC#N)c2ccc(C)c(C)c2)[nH+]c1C ZINC001473790560 1074143739 /nfs/dbraw/zinc/14/37/39/1074143739.db2.gz KPXIVVHGGHHLQF-HXUWFJFHSA-N 1 2 379.508 3.727 20 30 GHEDLO C=CCOc1c(Br)cc(C[NH2+][C@@H](C)c2nnc(CC)[nH]2)cc1OC ZINC001474097686 1074262479 /nfs/dbraw/zinc/26/24/79/1074262479.db2.gz VWPBIBYCSLGGSJ-NSHDSACASA-N 1 2 395.301 3.554 20 30 GHEDLO CC(=[NH+]Nc1ccc(-c2nn[nH]n2)c(Cl)c1)c1ccc(N2CCCC2)cc1O ZINC000823958627 609470909 /nfs/dbraw/zinc/47/09/09/609470909.db2.gz TXXPVZGKFDNZCR-UHFFFAOYSA-N 1 2 397.870 3.662 20 30 GHEDLO CC[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@@H](C)Cc1ccsc1 ZINC000275135660 836318705 /nfs/dbraw/zinc/31/87/05/836318705.db2.gz LTXZRUNDNQVUCN-YOEHRIQHSA-N 1 2 394.500 3.526 20 30 GHEDLO CC[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@@H](C)Cc1ccsc1 ZINC000275135660 836318718 /nfs/dbraw/zinc/31/87/18/836318718.db2.gz LTXZRUNDNQVUCN-YOEHRIQHSA-N 1 2 394.500 3.526 20 30 GHEDLO C=C(C)Cn1c(-c2ccc(C)s2)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000549727984 844174721 /nfs/dbraw/zinc/17/47/21/844174721.db2.gz JIFGUQSTRLKERU-UHFFFAOYSA-N 1 2 394.548 3.608 20 30 GHEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c(C#N)c1C ZINC000177240419 837892267 /nfs/dbraw/zinc/89/22/67/837892267.db2.gz MYOHTPMSCLESIZ-MRXNPFEDSA-N 1 2 396.516 3.526 20 30 GHEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c(C#N)c1C ZINC000177240419 837892274 /nfs/dbraw/zinc/89/22/74/837892274.db2.gz MYOHTPMSCLESIZ-MRXNPFEDSA-N 1 2 396.516 3.526 20 30 GHEDLO N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCn3c[nH+]cc3C2)c1 ZINC000378099646 838415338 /nfs/dbraw/zinc/41/53/38/838415338.db2.gz SDYGERUECREVOY-UHFFFAOYSA-N 1 2 378.819 3.856 20 30 GHEDLO C[C@H](NC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)c1cccc(C#N)c1 ZINC000610351856 838630074 /nfs/dbraw/zinc/63/00/74/838630074.db2.gz KCSYTYSKTKNPNA-YJBOKZPZSA-N 1 2 398.457 3.861 20 30 GHEDLO C[C@H](NC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)c1cccc(C#N)c1 ZINC000610351856 838630079 /nfs/dbraw/zinc/63/00/79/838630079.db2.gz KCSYTYSKTKNPNA-YJBOKZPZSA-N 1 2 398.457 3.861 20 30 GHEDLO COc1cccc(C=C2CC[NH+](CC(=O)N(C)C3(C#N)CCCCC3)CC2)c1 ZINC000472955526 838793960 /nfs/dbraw/zinc/79/39/60/838793960.db2.gz VMEAZJQHFKGIAM-UHFFFAOYSA-N 1 2 381.520 3.859 20 30 GHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)CN3CCCCCCC3=O)n2)C1 ZINC000328707139 838863443 /nfs/dbraw/zinc/86/34/43/838863443.db2.gz ZISSXPRMBXQPJF-HNNXBMFYSA-N 1 2 378.542 3.756 20 30 GHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)CN3CCCCCCC3=O)n2)C1 ZINC000328707139 838863457 /nfs/dbraw/zinc/86/34/57/838863457.db2.gz ZISSXPRMBXQPJF-HNNXBMFYSA-N 1 2 378.542 3.756 20 30 GHEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000580121083 838914086 /nfs/dbraw/zinc/91/40/86/838914086.db2.gz PUVQNNSEGGOOEU-UHFFFAOYSA-N 1 2 388.924 3.584 20 30 GHEDLO CCN(CCC#N)C(=O)C[N@H+]1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000580121083 838914102 /nfs/dbraw/zinc/91/41/02/838914102.db2.gz PUVQNNSEGGOOEU-UHFFFAOYSA-N 1 2 388.924 3.584 20 30 GHEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000610405966 839115730 /nfs/dbraw/zinc/11/57/30/839115730.db2.gz KOGOHCJQWSGNIP-QFIPXVFZSA-N 1 2 399.498 3.973 20 30 GHEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)N[C@@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000610406511 839133573 /nfs/dbraw/zinc/13/35/73/839133573.db2.gz CGIUWCCQTAYGPF-ZWKOTPCHSA-N 1 2 392.503 3.716 20 30 GHEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCc3c(Cl)cc(Cl)cc3C2)cc1 ZINC000610798194 844468541 /nfs/dbraw/zinc/46/85/41/844468541.db2.gz OGXUWTWHXOVCNS-KRWDZBQOSA-N 1 2 391.298 3.857 20 30 GHEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCc3c(Cl)cc(Cl)cc3C2)cc1 ZINC000610798194 844468547 /nfs/dbraw/zinc/46/85/47/844468547.db2.gz OGXUWTWHXOVCNS-KRWDZBQOSA-N 1 2 391.298 3.857 20 30 GHEDLO C=C(C)Cn1c(C2CCC2)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000549285011 839804001 /nfs/dbraw/zinc/80/40/01/839804001.db2.gz BUASFSMMKHRUMI-UHFFFAOYSA-N 1 2 395.555 3.670 20 30 GHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(OCc2ccccc2OC)c1C ZINC000759843238 840143979 /nfs/dbraw/zinc/14/39/79/840143979.db2.gz MDSPUZZFPZIRCY-FQEVSTJZSA-N 1 2 378.472 3.619 20 30 GHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(OCc2ccccc2OC)c1C ZINC000759843238 840143990 /nfs/dbraw/zinc/14/39/90/840143990.db2.gz MDSPUZZFPZIRCY-FQEVSTJZSA-N 1 2 378.472 3.619 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3csc4ccccc34)CC2)cc1 ZINC000511750171 840630015 /nfs/dbraw/zinc/63/00/15/840630015.db2.gz AJVRDMRKFPUWEO-UHFFFAOYSA-N 1 2 375.497 3.660 20 30 GHEDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1cccc(C(=O)Nc3cccc(C#N)c3)c1)C2 ZINC000162426031 840927029 /nfs/dbraw/zinc/92/70/29/840927029.db2.gz SCSPMGIHKARSCB-KRWDZBQOSA-N 1 2 399.454 3.586 20 30 GHEDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1cccc(C(=O)Nc3cccc(C#N)c3)c1)CC2 ZINC000162426031 840927042 /nfs/dbraw/zinc/92/70/42/840927042.db2.gz SCSPMGIHKARSCB-KRWDZBQOSA-N 1 2 399.454 3.586 20 30 GHEDLO Cn1c[nH+]cc1CCNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000121505693 842475050 /nfs/dbraw/zinc/47/50/50/842475050.db2.gz KVFBXIRYAVHFMQ-UHFFFAOYSA-N 1 2 380.835 3.710 20 30 GHEDLO Cn1c2ccccc2nc1[C@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000126035496 842934964 /nfs/dbraw/zinc/93/49/64/842934964.db2.gz DUMKZEVGXSSJTN-HSZRJFAPSA-N 1 2 395.466 3.763 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000512852838 843885905 /nfs/dbraw/zinc/88/59/05/843885905.db2.gz YKDDNKDIKHTWBO-KGLIPLIRSA-N 1 2 383.464 3.580 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@H](COC(F)F)C1 ZINC000512852838 843885914 /nfs/dbraw/zinc/88/59/14/843885914.db2.gz YKDDNKDIKHTWBO-KGLIPLIRSA-N 1 2 383.464 3.580 20 30 GHEDLO Cc1nc([C@@H]2CCC[N@@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)sc1C ZINC000333064155 843952020 /nfs/dbraw/zinc/95/20/20/843952020.db2.gz SYFAASFONULIIY-HZPDHXFCSA-N 1 2 386.546 3.678 20 30 GHEDLO Cc1nc([C@@H]2CCC[N@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)sc1C ZINC000333064155 843952024 /nfs/dbraw/zinc/95/20/24/843952024.db2.gz SYFAASFONULIIY-HZPDHXFCSA-N 1 2 386.546 3.678 20 30 GHEDLO O=C(CN1CCO[C@@H](C2CCCCC2)C1)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000329470772 861495000 /nfs/dbraw/zinc/49/50/00/861495000.db2.gz YLZZQPSZTBLSGM-GOSISDBHSA-N 1 2 392.569 3.608 20 30 GHEDLO C=CCNC(=O)C[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1F ZINC000181162589 844819862 /nfs/dbraw/zinc/81/98/62/844819862.db2.gz MTRJOXFUIZWTPI-GOSISDBHSA-N 1 2 377.257 3.569 20 30 GHEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCc2ccc(C#N)cc2F)c(C)c1 ZINC000611004430 845124542 /nfs/dbraw/zinc/12/45/42/845124542.db2.gz JDUJBYNYSQVMFZ-OAQYLSRUSA-N 1 2 391.450 3.751 20 30 GHEDLO N#CCc1ccc(OCc2cccc(NC(=O)[C@H]3CCn4c[nH+]cc4C3)c2)cc1 ZINC000151512409 845248933 /nfs/dbraw/zinc/24/89/33/845248933.db2.gz VHVYQRMFWCAWDO-IBGZPJMESA-N 1 2 386.455 3.729 20 30 GHEDLO COC(=O)c1ccc(COc2ccc(C[N@@H+]3CCC[C@@](C)(C#N)C3)cc2OC)o1 ZINC000614248060 845417395 /nfs/dbraw/zinc/41/73/95/845417395.db2.gz YGHGXNPIAOYRBZ-QFIPXVFZSA-N 1 2 398.459 3.779 20 30 GHEDLO COC(=O)c1ccc(COc2ccc(C[N@H+]3CCC[C@@](C)(C#N)C3)cc2OC)o1 ZINC000614248060 845417400 /nfs/dbraw/zinc/41/74/00/845417400.db2.gz YGHGXNPIAOYRBZ-QFIPXVFZSA-N 1 2 398.459 3.779 20 30 GHEDLO C[N@H+](Cc1ccc(Br)o1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182614296 845498467 /nfs/dbraw/zinc/49/84/67/845498467.db2.gz VEZWLAHFBHNUEL-INIZCTEOSA-N 1 2 388.265 3.541 20 30 GHEDLO C[N@@H+](Cc1ccc(Br)o1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182614296 845498475 /nfs/dbraw/zinc/49/84/75/845498475.db2.gz VEZWLAHFBHNUEL-INIZCTEOSA-N 1 2 388.265 3.541 20 30 GHEDLO N#Cc1ccccc1-c1ccc(CNC(=O)NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC000539171060 845921311 /nfs/dbraw/zinc/92/13/11/845921311.db2.gz SAFPEOULGJMDOU-UHFFFAOYSA-N 1 2 399.498 3.800 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCc2cc(F)cc(C)c2C1 ZINC000502893454 846586356 /nfs/dbraw/zinc/58/63/56/846586356.db2.gz HERCJSKNMRJWBJ-QGZVFWFLSA-N 1 2 395.478 3.836 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCc2cc(F)cc(C)c2C1 ZINC000502893454 846586361 /nfs/dbraw/zinc/58/63/61/846586361.db2.gz HERCJSKNMRJWBJ-QGZVFWFLSA-N 1 2 395.478 3.836 20 30 GHEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)NCC2(C#N)CCC2)cc1 ZINC000419621605 846689506 /nfs/dbraw/zinc/68/95/06/846689506.db2.gz AOWQKYHNSGQMQX-UHFFFAOYSA-N 1 2 395.507 3.578 20 30 GHEDLO COC(=O)c1cc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc(C(=O)OC)c1 ZINC000501206487 846742592 /nfs/dbraw/zinc/74/25/92/846742592.db2.gz SAPDSKBXPGUXTN-SFTDATJTSA-N 1 2 392.455 3.532 20 30 GHEDLO COC(=O)c1cc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc(C(=O)OC)c1 ZINC000501206487 846742597 /nfs/dbraw/zinc/74/25/97/846742597.db2.gz SAPDSKBXPGUXTN-SFTDATJTSA-N 1 2 392.455 3.532 20 30 GHEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@H](OCc3ccccc3F)C2)C1=O ZINC000548753788 848088180 /nfs/dbraw/zinc/08/81/80/848088180.db2.gz NWKHGTCPHJMBED-PKOBYXMFSA-N 1 2 399.491 3.545 20 30 GHEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@H](OCc3ccccc3F)C2)C1=O ZINC000548753788 848088183 /nfs/dbraw/zinc/08/81/83/848088183.db2.gz NWKHGTCPHJMBED-PKOBYXMFSA-N 1 2 399.491 3.545 20 30 GHEDLO CC[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@@H](C)[S@@]1=O ZINC000582752365 848281750 /nfs/dbraw/zinc/28/17/50/848281750.db2.gz RZFYWHPUAPECSH-NZBDPPQNSA-N 1 2 382.529 3.869 20 30 GHEDLO CC[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@@H](C)[S@@]1=O ZINC000582752365 848281756 /nfs/dbraw/zinc/28/17/56/848281756.db2.gz RZFYWHPUAPECSH-NZBDPPQNSA-N 1 2 382.529 3.869 20 30 GHEDLO C[C@@H](c1nc(Cc2ccccc2)no1)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000583345704 849667335 /nfs/dbraw/zinc/66/73/35/849667335.db2.gz OMYGYIGZVCRBNT-KRWDZBQOSA-N 1 2 376.460 3.742 20 30 GHEDLO C[C@@H](c1nc(Cc2ccccc2)no1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000583345704 849667337 /nfs/dbraw/zinc/66/73/37/849667337.db2.gz OMYGYIGZVCRBNT-KRWDZBQOSA-N 1 2 376.460 3.742 20 30 GHEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCO[C@H](c3ccsc3)C1)CCC2 ZINC000126449444 849733081 /nfs/dbraw/zinc/73/30/81/849733081.db2.gz ZFSQYKYKMLLQTH-INIZCTEOSA-N 1 2 387.530 3.572 20 30 GHEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCO[C@H](c3ccsc3)C1)CCC2 ZINC000126449444 849733089 /nfs/dbraw/zinc/73/30/89/849733089.db2.gz ZFSQYKYKMLLQTH-INIZCTEOSA-N 1 2 387.530 3.572 20 30 GHEDLO C=CC[N@H+](CC(=O)NCCc1nc2ccccc2s1)Cc1ccc(OC)cc1 ZINC000434802635 849786904 /nfs/dbraw/zinc/78/69/04/849786904.db2.gz LSGWIPOYROANFM-UHFFFAOYSA-N 1 2 395.528 3.652 20 30 GHEDLO C=CC[N@@H+](CC(=O)NCCc1nc2ccccc2s1)Cc1ccc(OC)cc1 ZINC000434802635 849786912 /nfs/dbraw/zinc/78/69/12/849786912.db2.gz LSGWIPOYROANFM-UHFFFAOYSA-N 1 2 395.528 3.652 20 30 GHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCSC(C)(C)C2)c1C#N ZINC000434897214 849878704 /nfs/dbraw/zinc/87/87/04/849878704.db2.gz VAJGAERPVAXFSG-UHFFFAOYSA-N 1 2 396.560 3.791 20 30 GHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCSC(C)(C)C2)c1C#N ZINC000434897214 849878712 /nfs/dbraw/zinc/87/87/12/849878712.db2.gz VAJGAERPVAXFSG-UHFFFAOYSA-N 1 2 396.560 3.791 20 30 GHEDLO C[N@@H+]1CCO[C@H]([C@H](Nc2c(C#N)cccc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000425244561 849899221 /nfs/dbraw/zinc/89/92/21/849899221.db2.gz HULLEJMGCHLXSD-PKOBYXMFSA-N 1 2 386.839 3.604 20 30 GHEDLO C[N@H+]1CCO[C@H]([C@H](Nc2c(C#N)cccc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000425244561 849899233 /nfs/dbraw/zinc/89/92/33/849899233.db2.gz HULLEJMGCHLXSD-PKOBYXMFSA-N 1 2 386.839 3.604 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3CCCc4ccccc43)CC2)cc1 ZINC000504226800 849978758 /nfs/dbraw/zinc/97/87/58/849978758.db2.gz CZMDHKFFNPJVSC-QFIPXVFZSA-N 1 2 388.515 3.506 20 30 GHEDLO N#Cc1cc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)ccc1OCC(F)(F)F ZINC000435144919 850146675 /nfs/dbraw/zinc/14/66/75/850146675.db2.gz LSDJTYWVNYRYFJ-UHFFFAOYSA-N 1 2 393.369 3.634 20 30 GHEDLO N#Cc1cc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)ccc1OCC(F)(F)F ZINC000435144919 850146677 /nfs/dbraw/zinc/14/66/77/850146677.db2.gz LSDJTYWVNYRYFJ-UHFFFAOYSA-N 1 2 393.369 3.634 20 30 GHEDLO C=C(C)COc1cc(C[NH2+][C@H](C)c2ncc(C(=O)OC)s2)ccc1OC ZINC000424199221 850286464 /nfs/dbraw/zinc/28/64/64/850286464.db2.gz JXYRCAGQQDPLNU-CYBMUJFWSA-N 1 2 376.478 3.744 20 30 GHEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2cccc(F)c2)cc1OCCCC#N ZINC000506790071 850932152 /nfs/dbraw/zinc/93/21/52/850932152.db2.gz YKYYHBQINQMFRP-UHFFFAOYSA-N 1 2 385.439 3.587 20 30 GHEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2cccc(F)c2)cc1OCCCC#N ZINC000506790071 850932158 /nfs/dbraw/zinc/93/21/58/850932158.db2.gz YKYYHBQINQMFRP-UHFFFAOYSA-N 1 2 385.439 3.587 20 30 GHEDLO COc1ccc(C[NH+]2CCN(c3c(C#N)cnc4ccc(C)cc43)CC2)cc1F ZINC000487893251 850972879 /nfs/dbraw/zinc/97/28/79/850972879.db2.gz FSTZKXWVAYVCNG-UHFFFAOYSA-N 1 2 390.462 3.885 20 30 GHEDLO Cc1ccc(-c2nnc([C@H](C)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)o2)cc1 ZINC000604474847 862219218 /nfs/dbraw/zinc/21/92/18/862219218.db2.gz FWHNWQGNEMNWCM-SFHVURJKSA-N 1 2 387.487 3.796 20 30 GHEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000910936370 851462323 /nfs/dbraw/zinc/46/23/23/851462323.db2.gz USHHQGILNBQYBJ-JOCHJYFZSA-N 1 2 385.471 3.674 20 30 GHEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000488891544 851849022 /nfs/dbraw/zinc/84/90/22/851849022.db2.gz BPEPXLSLIBOMQM-QFBILLFUSA-N 1 2 377.410 3.657 20 30 GHEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000488891544 851849033 /nfs/dbraw/zinc/84/90/33/851849033.db2.gz BPEPXLSLIBOMQM-QFBILLFUSA-N 1 2 377.410 3.657 20 30 GHEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000438653558 852667931 /nfs/dbraw/zinc/66/79/31/852667931.db2.gz FTOBSQSCONXDLM-AWEZNQCLSA-N 1 2 379.395 3.896 20 30 GHEDLO C[N@H+](Cc1ccc(C#N)cc1OC(F)F)[C@H]1CCN(c2ccccc2F)C1=O ZINC000437158393 852819121 /nfs/dbraw/zinc/81/91/21/852819121.db2.gz ZXAMDVBULINDKA-KRWDZBQOSA-N 1 2 389.377 3.536 20 30 GHEDLO C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)[C@H]1CCN(c2ccccc2F)C1=O ZINC000437158393 852819130 /nfs/dbraw/zinc/81/91/30/852819130.db2.gz ZXAMDVBULINDKA-KRWDZBQOSA-N 1 2 389.377 3.536 20 30 GHEDLO N#Cc1ccc(NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)c(Cl)c1 ZINC000426143473 852828161 /nfs/dbraw/zinc/82/81/61/852828161.db2.gz ZWOLLAZIOZUVNT-UHFFFAOYSA-N 1 2 379.851 3.821 20 30 GHEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCCc2cccc(C#N)c2)c(C)c1 ZINC000516780967 852992439 /nfs/dbraw/zinc/99/24/39/852992439.db2.gz PJWCYVMOPLVYJR-JOCHJYFZSA-N 1 2 387.487 3.655 20 30 GHEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000509590891 853022752 /nfs/dbraw/zinc/02/27/52/853022752.db2.gz GBEIFNVMNLWHEA-UHFFFAOYSA-N 1 2 397.404 3.688 20 30 GHEDLO CCOC(=O)c1c(NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)sc(C)c1CC ZINC000506137176 853540224 /nfs/dbraw/zinc/54/02/24/853540224.db2.gz QXFLMYMWPLGSCZ-UHFFFAOYSA-N 1 2 399.516 3.738 20 30 GHEDLO CCOC(=O)c1c(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)sc(C)c1CC ZINC000506137176 853540228 /nfs/dbraw/zinc/54/02/28/853540228.db2.gz QXFLMYMWPLGSCZ-UHFFFAOYSA-N 1 2 399.516 3.738 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1 ZINC000517264576 853595180 /nfs/dbraw/zinc/59/51/80/853595180.db2.gz KPJGVEZLYXHKRO-RBBKRZOGSA-N 1 2 381.520 3.584 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1 ZINC000517264576 853595191 /nfs/dbraw/zinc/59/51/91/853595191.db2.gz KPJGVEZLYXHKRO-RBBKRZOGSA-N 1 2 381.520 3.584 20 30 GHEDLO N#CCc1ccc(CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1 ZINC000571161134 853775133 /nfs/dbraw/zinc/77/51/33/853775133.db2.gz CORXLGJKZPDSHZ-VXKWHMMOSA-N 1 2 385.471 3.677 20 30 GHEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C2CCC(NC(=O)C3CC3)CC2)CC1 ZINC000330012320 862505889 /nfs/dbraw/zinc/50/58/89/862505889.db2.gz KJHHYUYKOJALPX-LSJNQWAISA-N 1 2 389.565 3.879 20 30 GHEDLO Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c1C ZINC000520280122 854021702 /nfs/dbraw/zinc/02/17/02/854021702.db2.gz LZLQIEPCDPSPMR-UHFFFAOYSA-N 1 2 396.454 3.858 20 30 GHEDLO N#Cc1cccc(-c2nnc(C[NH+]3CCC(Oc4ccc(F)cc4)CC3)o2)c1 ZINC000441386615 854168702 /nfs/dbraw/zinc/16/87/02/854168702.db2.gz QAWLLWYVVBSTJW-UHFFFAOYSA-N 1 2 378.407 3.791 20 30 GHEDLO Cc1oc(NC(=O)C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)c(C#N)c1C ZINC000156937615 854481344 /nfs/dbraw/zinc/48/13/44/854481344.db2.gz JJEIXMLVIXARIE-WMZOPIPTSA-N 1 2 385.464 3.668 20 30 GHEDLO Cc1oc(NC(=O)C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)c(C#N)c1C ZINC000156937615 854481348 /nfs/dbraw/zinc/48/13/48/854481348.db2.gz JJEIXMLVIXARIE-WMZOPIPTSA-N 1 2 385.464 3.668 20 30 GHEDLO O=C(N[C@H]1CCCC12CCOCC2)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000328837557 854569199 /nfs/dbraw/zinc/56/91/99/854569199.db2.gz TUGGWLFEPCOLCT-IBGZPJMESA-N 1 2 386.540 3.662 20 30 GHEDLO CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000328966001 854635170 /nfs/dbraw/zinc/63/51/70/854635170.db2.gz MOUYQLAAUPROPW-LZQZEXGQSA-N 1 2 386.540 3.869 20 30 GHEDLO CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000328966001 854635174 /nfs/dbraw/zinc/63/51/74/854635174.db2.gz MOUYQLAAUPROPW-LZQZEXGQSA-N 1 2 386.540 3.869 20 30 GHEDLO C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330139487 862607784 /nfs/dbraw/zinc/60/77/84/862607784.db2.gz WHUFVNGUCKDFGK-LBTNJELSSA-N 1 2 397.313 3.696 20 30 GHEDLO C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330139487 862607787 /nfs/dbraw/zinc/60/77/87/862607787.db2.gz WHUFVNGUCKDFGK-LBTNJELSSA-N 1 2 397.313 3.696 20 30 GHEDLO N#CCc1cccc(S(=O)(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)c1 ZINC000589592141 855074099 /nfs/dbraw/zinc/07/40/99/855074099.db2.gz RFOQLWUQNXKSHU-UHFFFAOYSA-N 1 2 392.484 3.753 20 30 GHEDLO Cc1cc(N)nc(SCCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)[nH+]1 ZINC000054441165 855154085 /nfs/dbraw/zinc/15/40/85/855154085.db2.gz BXEMMUQNWJTFFF-SNVBAGLBSA-N 1 2 387.534 3.546 20 30 GHEDLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)c(OC)c1 ZINC000042329506 862676304 /nfs/dbraw/zinc/67/63/04/862676304.db2.gz MDOMQFGOFXSASJ-SFHVURJKSA-N 1 2 395.503 3.779 20 30 GHEDLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)c(OC)c1 ZINC000042329506 862676308 /nfs/dbraw/zinc/67/63/08/862676308.db2.gz MDOMQFGOFXSASJ-SFHVURJKSA-N 1 2 395.503 3.779 20 30 GHEDLO CC(C)C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1ccc(C#N)nc1 ZINC000590464661 855412540 /nfs/dbraw/zinc/41/25/40/855412540.db2.gz WWDIFHYWPVUAEN-OAQYLSRUSA-N 1 2 396.922 3.979 20 30 GHEDLO CC(C)C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1ccc(C#N)nc1 ZINC000590464661 855412541 /nfs/dbraw/zinc/41/25/41/855412541.db2.gz WWDIFHYWPVUAEN-OAQYLSRUSA-N 1 2 396.922 3.979 20 30 GHEDLO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000465631060 855433406 /nfs/dbraw/zinc/43/34/06/855433406.db2.gz RLKXJEXCKADYFV-PKTZIBPZSA-N 1 2 399.498 3.913 20 30 GHEDLO O=C(C1CCCCC1)N1CC[NH+](CC/N=C\c2c(O)ccc3ccccc32)CC1 ZINC000733081355 862697690 /nfs/dbraw/zinc/69/76/90/862697690.db2.gz WBUZYBVQZBMRFI-BWAHOGKJSA-N 1 2 393.531 3.689 20 30 GHEDLO C[C@H](C(=O)NCc1ccc(F)cc1)[NH+]1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000674460011 856305570 /nfs/dbraw/zinc/30/55/70/856305570.db2.gz ALFGOCWNUXCVAQ-ICCXJUOJSA-N 1 2 386.311 3.503 20 30 GHEDLO C[C@@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000674460014 856306210 /nfs/dbraw/zinc/30/62/10/856306210.db2.gz ALFGOCWNUXCVAQ-TVYUQYBPSA-N 1 2 386.311 3.503 20 30 GHEDLO C[C@@H](C(=O)NCc1ccc(F)cc1)[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000674460014 856306223 /nfs/dbraw/zinc/30/62/23/856306223.db2.gz ALFGOCWNUXCVAQ-TVYUQYBPSA-N 1 2 386.311 3.503 20 30 GHEDLO C[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1ccc2c(c1)OCCO2 ZINC000105139727 856495218 /nfs/dbraw/zinc/49/52/18/856495218.db2.gz FTQIRNQQAULQSU-UHFFFAOYSA-N 1 2 389.455 3.641 20 30 GHEDLO C[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1ccc2c(c1)OCCO2 ZINC000105139727 856495228 /nfs/dbraw/zinc/49/52/28/856495228.db2.gz FTQIRNQQAULQSU-UHFFFAOYSA-N 1 2 389.455 3.641 20 30 GHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1cc(C#N)ccc1F ZINC000888359304 856498526 /nfs/dbraw/zinc/49/85/26/856498526.db2.gz GFJQPXDQHOSHNP-UHFFFAOYSA-N 1 2 381.455 3.863 20 30 GHEDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1cn2ccccc2c1C#N)Cc1ccccc1 ZINC000111056939 856759559 /nfs/dbraw/zinc/75/95/59/856759559.db2.gz XLBDANROUKZBJU-FQEVSTJZSA-N 1 2 388.515 3.534 20 30 GHEDLO CCOC(=O)c1c(C)c2ccccc2nc1CO[NH+]=C(N)c1ccc(OC)cc1 ZINC000733307340 862850944 /nfs/dbraw/zinc/85/09/44/862850944.db2.gz QYVXQTTVDPYIJF-UHFFFAOYSA-N 1 2 393.443 3.566 20 30 GHEDLO C[C@H](c1nnc(SCc2ccncc2C#N)n1-c1ccc(F)cc1)[NH+](C)C ZINC000592347529 857178436 /nfs/dbraw/zinc/17/84/36/857178436.db2.gz XMSXXRWCIKCJHH-CYBMUJFWSA-N 1 2 382.468 3.588 20 30 GHEDLO COc1ccc(C2CC[NH+](CC(=O)Nc3ccccc3SCC#N)CC2)nc1 ZINC000593040956 857195776 /nfs/dbraw/zinc/19/57/76/857195776.db2.gz KHFQMDZMHVYWJH-UHFFFAOYSA-N 1 2 396.516 3.524 20 30 GHEDLO N#CCCCOc1cccnc1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000466624212 862894345 /nfs/dbraw/zinc/89/43/45/862894345.db2.gz CJBSCFNFUNVWNZ-UHFFFAOYSA-N 1 2 396.495 3.685 20 30 GHEDLO N#Cc1c[nH]c(C(=O)N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)c1 ZINC000175255020 857474242 /nfs/dbraw/zinc/47/42/42/857474242.db2.gz DFVTYBZBGJFHLW-UHFFFAOYSA-N 1 2 394.475 3.712 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)NCC2(C#N)CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000593386644 857563810 /nfs/dbraw/zinc/56/38/10/857563810.db2.gz WSXZYDBLDVGJGA-IRXDYDNUSA-N 1 2 378.879 3.607 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)NCC2(C#N)CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000593386644 857563815 /nfs/dbraw/zinc/56/38/15/857563815.db2.gz WSXZYDBLDVGJGA-IRXDYDNUSA-N 1 2 378.879 3.607 20 30 GHEDLO COc1cc(C#N)ccc1C[N@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000121040442 858021089 /nfs/dbraw/zinc/02/10/89/858021089.db2.gz CCGROLVGMOULDO-UHFFFAOYSA-N 1 2 376.359 3.529 20 30 GHEDLO COc1cc(C#N)ccc1C[N@@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000121040442 858021099 /nfs/dbraw/zinc/02/10/99/858021099.db2.gz CCGROLVGMOULDO-UHFFFAOYSA-N 1 2 376.359 3.529 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](Cc3oc4ccccc4c3Br)CC2)nc1 ZINC000594597504 858217674 /nfs/dbraw/zinc/21/76/74/858217674.db2.gz MTFVFJRXWFXWKN-UHFFFAOYSA-N 1 2 397.276 3.784 20 30 GHEDLO C[C@H](Cc1ccc(C#N)cc1)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000594581391 858229198 /nfs/dbraw/zinc/22/91/98/858229198.db2.gz SCIYKGAEXYXGLU-QGZVFWFLSA-N 1 2 388.471 3.787 20 30 GHEDLO N#Cc1cc(NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)ccc1OC(F)(F)F ZINC000442934558 858240933 /nfs/dbraw/zinc/24/09/33/858240933.db2.gz IOTFKIIBOLJRPB-MRXNPFEDSA-N 1 2 375.350 3.670 20 30 GHEDLO N#Cc1cc(NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)ccc1OC(F)(F)F ZINC000442934558 858240940 /nfs/dbraw/zinc/24/09/40/858240940.db2.gz IOTFKIIBOLJRPB-MRXNPFEDSA-N 1 2 375.350 3.670 20 30 GHEDLO N#CC[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)C1 ZINC000594661009 858258332 /nfs/dbraw/zinc/25/83/32/858258332.db2.gz UZTKJBJBRWVIJR-NHYWBVRUSA-N 1 2 399.800 3.616 20 30 GHEDLO N#CC[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)C1 ZINC000594661009 858258344 /nfs/dbraw/zinc/25/83/44/858258344.db2.gz UZTKJBJBRWVIJR-NHYWBVRUSA-N 1 2 399.800 3.616 20 30 GHEDLO C[C@H](NC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1)c1nc(C(C)(C)C)cs1 ZINC000330340165 863022625 /nfs/dbraw/zinc/02/26/25/863022625.db2.gz XOJCNDHIYJLFRM-GZBFAFLISA-N 1 2 391.541 3.659 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H](CC#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000595570002 858555630 /nfs/dbraw/zinc/55/56/30/858555630.db2.gz JEQLBIMWOOFUOR-KKXDTOCCSA-N 1 2 378.879 3.560 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H](CC#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000595570002 858555633 /nfs/dbraw/zinc/55/56/33/858555633.db2.gz JEQLBIMWOOFUOR-KKXDTOCCSA-N 1 2 378.879 3.560 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](CO)c2cccc(Cl)c2Cl)c(C#N)c1C ZINC000595827957 858701439 /nfs/dbraw/zinc/70/14/39/858701439.db2.gz GEJOMUHHJLBIBG-MEBBXXQBSA-N 1 2 396.274 3.725 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000185474273 859086373 /nfs/dbraw/zinc/08/63/73/859086373.db2.gz GVOHNKANGFDTRW-MRXNPFEDSA-N 1 2 393.516 3.835 20 30 GHEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025244127 859103425 /nfs/dbraw/zinc/10/34/25/859103425.db2.gz SKNURTMOFZJWCE-CQSZACIVSA-N 1 2 383.414 3.748 20 30 GHEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025244127 859103434 /nfs/dbraw/zinc/10/34/34/859103434.db2.gz SKNURTMOFZJWCE-CQSZACIVSA-N 1 2 383.414 3.748 20 30 GHEDLO C#CCN(C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)C1CCCCC1 ZINC000764511887 859477074 /nfs/dbraw/zinc/47/70/74/859477074.db2.gz KFEFRAXHRCDWQS-WOJBJXKFSA-N 1 2 375.463 3.688 20 30 GHEDLO C#CCN(C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)C1CCCCC1 ZINC000764511887 859477078 /nfs/dbraw/zinc/47/70/78/859477078.db2.gz KFEFRAXHRCDWQS-WOJBJXKFSA-N 1 2 375.463 3.688 20 30 GHEDLO CCCCCNC(=O)C1CC[NH+](Cc2c(C#N)c(C)nn2-c2ccccc2)CC1 ZINC000611346072 859721766 /nfs/dbraw/zinc/72/17/66/859721766.db2.gz MQFBEGYHSSHLMN-UHFFFAOYSA-N 1 2 393.535 3.571 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)cc1 ZINC000602090977 859764997 /nfs/dbraw/zinc/76/49/97/859764997.db2.gz GKSFATZZVONIFE-INIZCTEOSA-N 1 2 380.370 3.722 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C(F)(F)F)CC[C@H]2C)cc1 ZINC000611554345 859803338 /nfs/dbraw/zinc/80/33/38/859803338.db2.gz MEOVBEDWIQAJDR-HZPDHXFCSA-N 1 2 397.441 3.995 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](C(F)(F)F)CC[C@H]2C)cc1 ZINC000611554345 859803350 /nfs/dbraw/zinc/80/33/50/859803350.db2.gz MEOVBEDWIQAJDR-HZPDHXFCSA-N 1 2 397.441 3.995 20 30 GHEDLO N#CC[C@H]1CCCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000597907530 859900308 /nfs/dbraw/zinc/90/03/08/859900308.db2.gz CLEVHJORQOHUNL-CRAIPNDOSA-N 1 2 390.325 3.738 20 30 GHEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1ccccc1Sc1ccccc1C#N ZINC000597997064 859976890 /nfs/dbraw/zinc/97/68/90/859976890.db2.gz KTSKVDAJJBSZHE-SJORKVTESA-N 1 2 395.528 3.548 20 30 GHEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1ccccc1Sc1ccccc1C#N ZINC000597997064 859976895 /nfs/dbraw/zinc/97/68/95/859976895.db2.gz KTSKVDAJJBSZHE-SJORKVTESA-N 1 2 395.528 3.548 20 30 GHEDLO C[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000729552324 860250206 /nfs/dbraw/zinc/25/02/06/860250206.db2.gz DDEPKLYGJWQFJB-SPEDKVCISA-N 1 2 392.503 3.573 20 30 GHEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000484915866 860486038 /nfs/dbraw/zinc/48/60/38/860486038.db2.gz LERXNGRHFHAQAP-UHFFFAOYSA-N 1 2 392.507 3.938 20 30 GHEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@H](CC)Cc1ccc2c(c1)OCO2 ZINC001170407398 881576644 /nfs/dbraw/zinc/57/66/44/881576644.db2.gz LFYGSORXEZYUEN-UXHICEINSA-N 1 2 381.472 3.667 20 30 GHEDLO N#Cc1ccccc1N1CCC[N@@H+](CC(=O)c2c[nH]c3ccc(F)cc32)CC1 ZINC000625080395 860847016 /nfs/dbraw/zinc/84/70/16/860847016.db2.gz OWTNCSZVKRXKMX-UHFFFAOYSA-N 1 2 376.435 3.574 20 30 GHEDLO N#Cc1ccccc1N1CCC[N@H+](CC(=O)c2c[nH]c3ccc(F)cc32)CC1 ZINC000625080395 860847023 /nfs/dbraw/zinc/84/70/23/860847023.db2.gz OWTNCSZVKRXKMX-UHFFFAOYSA-N 1 2 376.435 3.574 20 30 GHEDLO Cc1cc(C#N)cc(C)c1CC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001125130908 860919635 /nfs/dbraw/zinc/91/96/35/860919635.db2.gz KUTGCOUZZNOHNV-KDURUIRLSA-N 1 2 391.515 3.966 20 30 GHEDLO Cc1cc(C#N)cc(C)c1CC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001125130908 860919647 /nfs/dbraw/zinc/91/96/47/860919647.db2.gz KUTGCOUZZNOHNV-KDURUIRLSA-N 1 2 391.515 3.966 20 30 GHEDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000603647204 860949822 /nfs/dbraw/zinc/94/98/22/860949822.db2.gz UYYMFLRCSWVYCE-UHFFFAOYSA-N 1 2 398.894 3.878 20 30 GHEDLO CC(=O)N1CC[N@@H+](CC(=O)N[C@@H](C)Cc2ccccc2C)CC12CCCCC2 ZINC000329050791 860978983 /nfs/dbraw/zinc/97/89/83/860978983.db2.gz RFDIRPSCTAITEP-IBGZPJMESA-N 1 2 385.552 3.750 20 30 GHEDLO CC(=O)N1CC[N@H+](CC(=O)N[C@@H](C)Cc2ccccc2C)CC12CCCCC2 ZINC000329050791 860979000 /nfs/dbraw/zinc/97/90/00/860979000.db2.gz RFDIRPSCTAITEP-IBGZPJMESA-N 1 2 385.552 3.750 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000329169264 861093425 /nfs/dbraw/zinc/09/34/25/861093425.db2.gz JNLFUUWEGCWMMY-JYJNAYRXSA-N 1 2 382.867 3.528 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000329169264 861093442 /nfs/dbraw/zinc/09/34/42/861093442.db2.gz JNLFUUWEGCWMMY-JYJNAYRXSA-N 1 2 382.867 3.528 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](Cc3ccncc3Br)CC2)c(F)c1 ZINC000599417140 861162419 /nfs/dbraw/zinc/16/24/19/861162419.db2.gz KGIMFCICUOGJCG-UHFFFAOYSA-N 1 2 390.256 3.898 20 30 GHEDLO C#CCCNC(=O)NC[C@@H](c1ccc(SC)cc1)[N@@H+]1CCc2sccc2C1 ZINC000733642949 863092859 /nfs/dbraw/zinc/09/28/59/863092859.db2.gz WQGCJUJBRPDROK-IBGZPJMESA-N 1 2 399.585 3.892 20 30 GHEDLO C#CCCNC(=O)NC[C@@H](c1ccc(SC)cc1)[N@H+]1CCc2sccc2C1 ZINC000733642949 863092873 /nfs/dbraw/zinc/09/28/73/863092873.db2.gz WQGCJUJBRPDROK-IBGZPJMESA-N 1 2 399.585 3.892 20 30 GHEDLO CC(C)COC[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccco1 ZINC000184185870 864189924 /nfs/dbraw/zinc/18/99/24/864189924.db2.gz NVEILKDMZXPHOJ-QGZVFWFLSA-N 1 2 375.856 3.747 20 30 GHEDLO N#CCc1cccc(NC(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c1 ZINC000455945072 864484284 /nfs/dbraw/zinc/48/42/84/864484284.db2.gz KXJOYSRDBIYUES-UHFFFAOYSA-N 1 2 398.894 3.635 20 30 GHEDLO C[C@@H]([NH2+]C1(c2ncc(Br)cn2)CCC1)c1ccc(C#N)c(F)c1 ZINC000927144129 864522967 /nfs/dbraw/zinc/52/29/67/864522967.db2.gz CUZWBEQXOOYIFF-LLVKDONJSA-N 1 2 375.245 3.980 20 30 GHEDLO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000554541638 864527718 /nfs/dbraw/zinc/52/77/18/864527718.db2.gz IIPFWWPJRCASMT-UXHICEINSA-N 1 2 386.459 3.630 20 30 GHEDLO Cc1cc(N2CCN(Cc3cc(Cl)ccc3OCC#N)CC2)nc(C(C)C)[nH+]1 ZINC000735306719 864709783 /nfs/dbraw/zinc/70/97/83/864709783.db2.gz RZHWASXWFGIACC-UHFFFAOYSA-N 1 2 399.926 3.786 20 30 GHEDLO Cc1ccc2[nH+]cc(CN3CCN([C@@H](C#N)c4cccc(Cl)c4)CC3)n2c1 ZINC000475345795 864835598 /nfs/dbraw/zinc/83/55/98/864835598.db2.gz LAWIRJLOCOCCGZ-FQEVSTJZSA-N 1 2 379.895 3.679 20 30 GHEDLO COC[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc(C)o1 ZINC000184718458 864878341 /nfs/dbraw/zinc/87/83/41/864878341.db2.gz FBFGALBDFCZBOI-MRXNPFEDSA-N 1 2 387.505 3.706 20 30 GHEDLO CC(=NNC(=S)Nc1cccc(C)c1C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735610693 864879952 /nfs/dbraw/zinc/87/99/52/864879952.db2.gz TYQRFPONEBBFNN-NRFANRHFSA-N 1 2 396.560 3.867 20 30 GHEDLO CC(=NNC(=S)Nc1cccc(C)c1C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735610693 864879959 /nfs/dbraw/zinc/87/99/59/864879959.db2.gz TYQRFPONEBBFNN-NRFANRHFSA-N 1 2 396.560 3.867 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)cc1 ZINC000120989471 881850337 /nfs/dbraw/zinc/85/03/37/881850337.db2.gz FDOHHRSMLGLDPS-HXUWFJFHSA-N 1 2 395.304 3.703 20 30 GHEDLO Cc1ccc2[nH+]c(CSCC(=O)N[C@H](C#N)c3ccccc3Cl)cn2c1 ZINC000172142591 865501921 /nfs/dbraw/zinc/50/19/21/865501921.db2.gz GZYNULLZSFEGEB-QGZVFWFLSA-N 1 2 384.892 3.910 20 30 GHEDLO N#CCOc1ccc(C[NH+]2CCN(Cc3nc4ccccc4s3)CC2)cc1 ZINC000738298294 865524309 /nfs/dbraw/zinc/52/43/09/865524309.db2.gz HTIKIKACQLZPCO-UHFFFAOYSA-N 1 2 378.501 3.516 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC([C@H](O)c3ccccc3)CC2)c(C#N)c1C ZINC000121348002 865860716 /nfs/dbraw/zinc/86/07/16/865860716.db2.gz IKVZKCKBHHVPKB-FOIQADDNSA-N 1 2 381.476 3.541 20 30 GHEDLO CC[NH+](CC)Cc1nc(C2(NC(=O)c3cc(C)c(C#N)c(C)c3)CCCC2)no1 ZINC001126901887 865876020 /nfs/dbraw/zinc/87/60/20/865876020.db2.gz SMKICUMSKSSWEV-UHFFFAOYSA-N 1 2 395.507 3.599 20 30 GHEDLO Cc1cccc(O[C@H](C)C(=O)N2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000609916121 866141176 /nfs/dbraw/zinc/14/11/76/866141176.db2.gz HITLQVXLPFDNIW-RBUKOAKNSA-N 1 2 377.488 3.539 20 30 GHEDLO Cc1cccc(C2(O)CC[NH+](CC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)c1C ZINC000741800248 866821116 /nfs/dbraw/zinc/82/11/16/866821116.db2.gz JUWPZAAIUQUMGG-UHFFFAOYSA-N 1 2 397.906 3.751 20 30 GHEDLO N#Cc1cccc(OCCCCC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000534524566 866990123 /nfs/dbraw/zinc/99/01/23/866990123.db2.gz KMQPJZCNWXDJIB-UHFFFAOYSA-N 1 2 383.517 3.513 20 30 GHEDLO Cc1cc2c(ncnc2N2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)s1 ZINC000444697030 867078731 /nfs/dbraw/zinc/07/87/31/867078731.db2.gz PPTPLXGTNSTPJY-UHFFFAOYSA-N 1 2 382.920 3.827 20 30 GHEDLO N#Cc1cnc2c(Br)cccc2c1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000440650514 867764651 /nfs/dbraw/zinc/76/46/51/867764651.db2.gz NGNUVHVVTDTTEO-CQSZACIVSA-N 1 2 394.276 3.955 20 30 GHEDLO N#Cc1c(Cl)nsc1NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000920486078 882128530 /nfs/dbraw/zinc/12/85/30/882128530.db2.gz NWAPWMWLWSXBKL-UHFFFAOYSA-N 1 2 396.347 3.946 20 30 GHEDLO C[C@@H]1C(=O)N(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)[C@@H]1c1ccccc1 ZINC000743362229 868112626 /nfs/dbraw/zinc/11/26/26/868112626.db2.gz JQWMDVMPORCSPF-JTSKRJEESA-N 1 2 375.472 3.579 20 30 GHEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC([C@H](O)c3ccccc3)CC2)cc1Cl ZINC000026117391 868290212 /nfs/dbraw/zinc/29/02/12/868290212.db2.gz MLNLSLQNXKTICM-OAQYLSRUSA-N 1 2 383.879 3.596 20 30 GHEDLO C=CCc1cc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cc(OC)c1O ZINC000155287011 868475967 /nfs/dbraw/zinc/47/59/67/868475967.db2.gz FZHUQKHOXNIRAB-OAQYLSRUSA-N 1 2 377.488 3.512 20 30 GHEDLO N#Cc1cc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1OCC(F)(F)F ZINC000524257960 868804122 /nfs/dbraw/zinc/80/41/22/868804122.db2.gz FYXOHTJUSRAGML-GFCCVEGCSA-N 1 2 393.369 3.634 20 30 GHEDLO CC(C)[N@H+](CCS(=O)(=O)c1ccc(Cl)cc1)Cc1ccc(C#N)cc1 ZINC000746134047 870068814 /nfs/dbraw/zinc/06/88/14/870068814.db2.gz OBUKFFSIWNFDHR-UHFFFAOYSA-N 1 2 376.909 3.896 20 30 GHEDLO CC(C)[N@@H+](CCS(=O)(=O)c1ccc(Cl)cc1)Cc1ccc(C#N)cc1 ZINC000746134047 870068828 /nfs/dbraw/zinc/06/88/28/870068828.db2.gz OBUKFFSIWNFDHR-UHFFFAOYSA-N 1 2 376.909 3.896 20 30 GHEDLO CC(C)[N@H+](CC(=O)Nc1cccc(C#N)c1)Cc1cnn(Cc2ccccc2)c1 ZINC001192537415 870500567 /nfs/dbraw/zinc/50/05/67/870500567.db2.gz SNBSEPIKYVDHEP-UHFFFAOYSA-N 1 2 387.487 3.652 20 30 GHEDLO CC(C)[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1cnn(Cc2ccccc2)c1 ZINC001192537415 870500581 /nfs/dbraw/zinc/50/05/81/870500581.db2.gz SNBSEPIKYVDHEP-UHFFFAOYSA-N 1 2 387.487 3.652 20 30 GHEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000029860641 871087067 /nfs/dbraw/zinc/08/70/67/871087067.db2.gz MXOPKWZRFCFSNA-UHFFFAOYSA-N 1 2 380.398 3.814 20 30 GHEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@@H](c3ccccc3C)C2)c(OC)c1 ZINC000525637079 871122714 /nfs/dbraw/zinc/12/27/14/871122714.db2.gz XWSYVXKXJIZAJT-HYBUGGRVSA-N 1 2 397.515 3.545 20 30 GHEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCO[C@@H](c3ccccc3C)C2)c(OC)c1 ZINC000525637079 871122723 /nfs/dbraw/zinc/12/27/23/871122723.db2.gz XWSYVXKXJIZAJT-HYBUGGRVSA-N 1 2 397.515 3.545 20 30 GHEDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1)c1ccc(C#N)cc1 ZINC000182011374 871712433 /nfs/dbraw/zinc/71/24/33/871712433.db2.gz WPRYQSDFBNDOOO-GFCCVEGCSA-N 1 2 382.265 3.957 20 30 GHEDLO N#Cc1cc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)ccc1Cl ZINC000609115785 871745224 /nfs/dbraw/zinc/74/52/24/871745224.db2.gz UOSWSVBLNMAHBA-UHFFFAOYSA-N 1 2 393.255 3.852 20 30 GHEDLO N#CC1(c2ccccc2)CCC(Nc2cccc(CN3CCOCC3)[nH+]2)CC1 ZINC000540664345 871868547 /nfs/dbraw/zinc/86/85/47/871868547.db2.gz ZBBUXFRVAYAMCD-UHFFFAOYSA-N 1 2 376.504 3.730 20 30 GHEDLO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000618840820 872048819 /nfs/dbraw/zinc/04/88/19/872048819.db2.gz LTOPYELZISMKGJ-YTFSRNRJSA-N 1 2 397.482 3.970 20 30 GHEDLO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000618847729 872067984 /nfs/dbraw/zinc/06/79/84/872067984.db2.gz QYBYXLDARILZPO-OAQYLSRUSA-N 1 2 377.492 3.644 20 30 GHEDLO C=CCn1c([C@@H]2COc3ccccc3O2)nn(C[N@@H+]2C[C@@H](C)C[C@H]2C)c1=S ZINC000740861567 872120979 /nfs/dbraw/zinc/12/09/79/872120979.db2.gz PFDDXGXHSYEJOH-DAYGRLMNSA-N 1 2 386.521 3.800 20 30 GHEDLO C=CCn1c([C@@H]2COc3ccccc3O2)nn(C[N@H+]2C[C@@H](C)C[C@H]2C)c1=S ZINC000740861567 872120992 /nfs/dbraw/zinc/12/09/92/872120992.db2.gz PFDDXGXHSYEJOH-DAYGRLMNSA-N 1 2 386.521 3.800 20 30 GHEDLO CC(C)(C#N)CNC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000494619920 882598764 /nfs/dbraw/zinc/59/87/64/882598764.db2.gz WBRQNNOKNBMVQN-UHFFFAOYSA-N 1 2 387.487 3.947 20 30 GHEDLO CSc1[nH]c(=O)c(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cc1C#N ZINC000128157078 872730897 /nfs/dbraw/zinc/73/08/97/872730897.db2.gz NDGRNACLVVROGB-CQSZACIVSA-N 1 2 396.516 3.595 20 30 GHEDLO CSc1[nH]c(=O)c(C(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cc1C#N ZINC000128157078 872730909 /nfs/dbraw/zinc/73/09/09/872730909.db2.gz NDGRNACLVVROGB-CQSZACIVSA-N 1 2 396.516 3.595 20 30 GHEDLO C=CC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000541070722 872845711 /nfs/dbraw/zinc/84/57/11/872845711.db2.gz UIYWMMRDHMHUJA-AWEZNQCLSA-N 1 2 398.854 3.973 20 30 GHEDLO C=CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000541070722 872845718 /nfs/dbraw/zinc/84/57/18/872845718.db2.gz UIYWMMRDHMHUJA-AWEZNQCLSA-N 1 2 398.854 3.973 20 30 GHEDLO N#Cc1ccc(C[NH2+]Cc2cn(-c3ccc(F)c(Cl)c3)nn2)cc1Cl ZINC000619748358 872984203 /nfs/dbraw/zinc/98/42/03/872984203.db2.gz JGJNNPMYKAGFHF-UHFFFAOYSA-N 1 2 376.222 3.875 20 30 GHEDLO CC(C)(C#N)c1ccccc1COC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000768031680 873035874 /nfs/dbraw/zinc/03/58/74/873035874.db2.gz YSIIAQHBLGAZSJ-NRFANRHFSA-N 1 2 392.499 3.822 20 30 GHEDLO CC(C)(C#N)c1ccccc1COC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000768031680 873035891 /nfs/dbraw/zinc/03/58/91/873035891.db2.gz YSIIAQHBLGAZSJ-NRFANRHFSA-N 1 2 392.499 3.822 20 30 GHEDLO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)c1ccc(C(F)(F)F)c(C#N)n1 ZINC000443514614 873399272 /nfs/dbraw/zinc/39/92/72/873399272.db2.gz YKDHZHNWTDTXSP-OAHLLOKOSA-N 1 2 396.438 3.543 20 30 GHEDLO Fc1cccc(N2CC[NH+](CC#Cc3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC001197041297 873534485 /nfs/dbraw/zinc/53/44/85/873534485.db2.gz KRDSCLYLOFBXBZ-UHFFFAOYSA-N 1 2 378.369 3.898 20 30 GHEDLO N#CCOc1cccc(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)c1 ZINC000768969504 873712083 /nfs/dbraw/zinc/71/20/83/873712083.db2.gz SULVHENTFPBIFB-LEWJYISDSA-N 1 2 387.443 3.836 20 30 GHEDLO COc1ccc(-c2nc(SCC[C@@H]3CCCC[N@@H+]3C)[nH]c(=O)c2C#N)cc1 ZINC000769378938 874007739 /nfs/dbraw/zinc/00/77/39/874007739.db2.gz XTAYHHYZZXXXIB-HNNXBMFYSA-N 1 2 384.505 3.696 20 30 GHEDLO COc1ccc(-c2nc(SCC[C@@H]3CCCC[N@H+]3C)[nH]c(=O)c2C#N)cc1 ZINC000769378938 874007752 /nfs/dbraw/zinc/00/77/52/874007752.db2.gz XTAYHHYZZXXXIB-HNNXBMFYSA-N 1 2 384.505 3.696 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(c2nc(C)c(C)[nH]2)CC1 ZINC001197844463 874067769 /nfs/dbraw/zinc/06/77/69/874067769.db2.gz GNUFMGVRGYJNTF-QGZVFWFLSA-N 1 2 386.565 3.871 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCN(c3cccs3)CC2)cc1 ZINC000121506243 874273639 /nfs/dbraw/zinc/27/36/39/874273639.db2.gz AXTVBUJLRQKPRA-GOSISDBHSA-N 1 2 382.533 3.514 20 30 GHEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000769900015 874330626 /nfs/dbraw/zinc/33/06/26/874330626.db2.gz OPRHDKXJPKLXQM-QTCLPTISSA-N 1 2 396.453 3.502 20 30 GHEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000769900015 874330638 /nfs/dbraw/zinc/33/06/38/874330638.db2.gz OPRHDKXJPKLXQM-QTCLPTISSA-N 1 2 396.453 3.502 20 30 GHEDLO C#C[C@@H](C)[N@H+](C)CC(=O)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1 ZINC000769962974 874368421 /nfs/dbraw/zinc/36/84/21/874368421.db2.gz NMPNNMUSKVSNPA-CRAIPNDOSA-N 1 2 375.428 3.657 20 30 GHEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1 ZINC000769962974 874368433 /nfs/dbraw/zinc/36/84/33/874368433.db2.gz NMPNNMUSKVSNPA-CRAIPNDOSA-N 1 2 375.428 3.657 20 30 GHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 ZINC000770081672 874444548 /nfs/dbraw/zinc/44/45/48/874444548.db2.gz XBEUBFMADXZGKM-KRWDZBQOSA-N 1 2 377.469 3.705 20 30 GHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 ZINC000770081672 874444555 /nfs/dbraw/zinc/44/45/55/874444555.db2.gz XBEUBFMADXZGKM-KRWDZBQOSA-N 1 2 377.469 3.705 20 30 GHEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2cc(C)[nH+]c(C)c2)cc1 ZINC001199058580 874780167 /nfs/dbraw/zinc/78/01/67/874780167.db2.gz FAZGHVNJSKQYEU-UHFFFAOYSA-N 1 2 378.476 3.834 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000746513492 875454811 /nfs/dbraw/zinc/45/48/11/875454811.db2.gz JUFHNFLJGRKTCR-OAHLLOKOSA-N 1 2 384.398 3.536 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000746513492 875454816 /nfs/dbraw/zinc/45/48/16/875454816.db2.gz JUFHNFLJGRKTCR-OAHLLOKOSA-N 1 2 384.398 3.536 20 30 GHEDLO CCN(C(=O)c1cc(C#N)[nH]c1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000449971475 875735388 /nfs/dbraw/zinc/73/53/88/875735388.db2.gz KVUZNOLRGSFGBL-UHFFFAOYSA-N 1 2 394.523 3.548 20 30 GHEDLO C=CCOc1ccc(/C=C\C(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1OC ZINC000746539658 875959690 /nfs/dbraw/zinc/95/96/90/875959690.db2.gz MCGFOCPRYUVNNX-NTMALXAHSA-N 1 2 391.471 3.588 20 30 GHEDLO CC(C)[C@@H]1C[N@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CCS1 ZINC000173862188 876690354 /nfs/dbraw/zinc/69/03/54/876690354.db2.gz QQZIRCJEHBIQSF-YJBOKZPZSA-N 1 2 377.579 3.950 20 30 GHEDLO CC(C)[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CCS1 ZINC000173862188 876690361 /nfs/dbraw/zinc/69/03/61/876690361.db2.gz QQZIRCJEHBIQSF-YJBOKZPZSA-N 1 2 377.579 3.950 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000451203887 877571167 /nfs/dbraw/zinc/57/11/67/877571167.db2.gz RRISDHLIWZERFR-UHFFFAOYSA-N 1 2 395.528 3.667 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000451203887 877571182 /nfs/dbraw/zinc/57/11/82/877571182.db2.gz RRISDHLIWZERFR-UHFFFAOYSA-N 1 2 395.528 3.667 20 30 GHEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851399798 877663924 /nfs/dbraw/zinc/66/39/24/877663924.db2.gz ICWYRDJHOQDHSA-UHFFFAOYSA-N 1 2 379.460 3.570 20 30 GHEDLO OC[C@@]1(F)C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@@H]1c1ccccc1 ZINC000451253340 877667666 /nfs/dbraw/zinc/66/76/66/877667666.db2.gz AHOXRYYFYBCFNE-UXHICEINSA-N 1 2 377.381 3.857 20 30 GHEDLO OC[C@@]1(F)C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@@H]1c1ccccc1 ZINC000451253340 877667676 /nfs/dbraw/zinc/66/76/76/877667676.db2.gz AHOXRYYFYBCFNE-UXHICEINSA-N 1 2 377.381 3.857 20 30 GHEDLO NC(Cc1ccc(Cl)cc1)=[NH+]OCC(=O)Nc1ccccc1C(F)(F)F ZINC000111178527 877988046 /nfs/dbraw/zinc/98/80/46/877988046.db2.gz PQUNWYQELLBOPU-UHFFFAOYSA-N 1 2 385.773 3.829 20 30 GHEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000451551780 878132007 /nfs/dbraw/zinc/13/20/07/878132007.db2.gz VHCAJBYLDOPCSB-FUHWJXTLSA-N 1 2 396.472 3.513 20 30 GHEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000451551780 878132014 /nfs/dbraw/zinc/13/20/14/878132014.db2.gz VHCAJBYLDOPCSB-FUHWJXTLSA-N 1 2 396.472 3.513 20 30 GHEDLO Cc1cc(C(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000852320064 878235930 /nfs/dbraw/zinc/23/59/30/878235930.db2.gz VPXYQIOWEDSQMZ-SFHVURJKSA-N 1 2 393.487 3.674 20 30 GHEDLO Cc1cc(C(=O)C[N@H+]2CCC[C@@H](CC#N)C2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000852320064 878235953 /nfs/dbraw/zinc/23/59/53/878235953.db2.gz VPXYQIOWEDSQMZ-SFHVURJKSA-N 1 2 393.487 3.674 20 30 GHEDLO C=CCn1c(=S)n(C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)nc1-c1cccnc1 ZINC000853622789 879178752 /nfs/dbraw/zinc/17/87/52/879178752.db2.gz BERGUZXVMSPIFS-OYRHEFFESA-N 1 2 397.548 3.512 20 30 GHEDLO C=CCn1c(=S)n(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)nc1-c1cccnc1 ZINC000853622789 879178755 /nfs/dbraw/zinc/17/87/55/879178755.db2.gz BERGUZXVMSPIFS-OYRHEFFESA-N 1 2 397.548 3.512 20 30 GHEDLO COc1ccccc1-c1ccnc(C2CC[NH+](Cc3nc(C#N)cs3)CC2)n1 ZINC000854097508 879527477 /nfs/dbraw/zinc/52/74/77/879527477.db2.gz OSHJOKKYCJRBDI-UHFFFAOYSA-N 1 2 391.500 3.860 20 30 GHEDLO CCCOc1c(Br)cc(C=NNc2[nH+]ccn2C)cc1OCC ZINC000790300355 879606071 /nfs/dbraw/zinc/60/60/71/879606071.db2.gz UMVLPTUWFHBGLV-UHFFFAOYSA-N 1 2 381.274 3.816 20 30 GHEDLO C[C@@H]([NH2+]Cc1csc(CNC(=O)c2ccccc2)n1)c1ccc(C#N)c(F)c1 ZINC000538508280 879629752 /nfs/dbraw/zinc/62/97/52/879629752.db2.gz GIOGSDKSDMWWDM-CQSZACIVSA-N 1 2 394.475 3.935 20 30 GHEDLO COc1cc(C[N@H+](C)[C@H]2CC(C)(C)OC2=O)ccc1OCc1cccc(C#N)c1 ZINC000795708934 912586961 /nfs/dbraw/zinc/58/69/61/912586961.db2.gz CRCZVQMQVRXKKE-IBGZPJMESA-N 1 2 394.471 3.672 20 30 GHEDLO COc1cc(C[N@@H+](C)[C@H]2CC(C)(C)OC2=O)ccc1OCc1cccc(C#N)c1 ZINC000795708934 912586976 /nfs/dbraw/zinc/58/69/76/912586976.db2.gz CRCZVQMQVRXKKE-IBGZPJMESA-N 1 2 394.471 3.672 20 30 GHEDLO CC[N@@H+](Cc1cc(Br)cc(Br)c1N)C[C@@H](C)C#N ZINC000186640272 880942331 /nfs/dbraw/zinc/94/23/31/880942331.db2.gz PDNXQNIGUVAXKJ-VIFPVBQESA-N 1 2 375.108 3.775 20 30 GHEDLO CC[N@H+](Cc1cc(Br)cc(Br)c1N)C[C@@H](C)C#N ZINC000186640272 880942336 /nfs/dbraw/zinc/94/23/36/880942336.db2.gz PDNXQNIGUVAXKJ-VIFPVBQESA-N 1 2 375.108 3.775 20 30 GHEDLO N#Cc1cnc2ccccc2c1N1CC[NH+]([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000610278241 883473097 /nfs/dbraw/zinc/47/30/97/883473097.db2.gz TVMMBZLPFDXFBY-NRFANRHFSA-N 1 2 392.890 3.615 20 30 GHEDLO C#C[C@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)cc1F ZINC000804961833 883513696 /nfs/dbraw/zinc/51/36/96/883513696.db2.gz LRXWVOGROLHUNZ-SFHVURJKSA-N 1 2 386.858 3.517 20 30 GHEDLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(F)c(C#N)c1 ZINC000551261541 883569974 /nfs/dbraw/zinc/56/99/74/883569974.db2.gz LCGQBWSDTBTWRB-KSFYIVLOSA-N 1 2 394.494 3.774 20 30 GHEDLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(F)c(C#N)c1 ZINC000551261541 883569982 /nfs/dbraw/zinc/56/99/82/883569982.db2.gz LCGQBWSDTBTWRB-KSFYIVLOSA-N 1 2 394.494 3.774 20 30 GHEDLO N#Cc1c(F)cccc1C[NH2+][C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1 ZINC001183683336 912726571 /nfs/dbraw/zinc/72/65/71/912726571.db2.gz BNRSDUIJFSEAPO-RHNCMZPLSA-N 1 2 375.241 3.600 20 30 GHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCCOC(C)(C)C2)c1C#N ZINC000609766689 883655897 /nfs/dbraw/zinc/65/58/97/883655897.db2.gz DJQFPKQLNMKFRW-UHFFFAOYSA-N 1 2 386.540 3.921 20 30 GHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCCOC(C)(C)C2)c1C#N ZINC000609766689 883655906 /nfs/dbraw/zinc/65/59/06/883655906.db2.gz DJQFPKQLNMKFRW-UHFFFAOYSA-N 1 2 386.540 3.921 20 30 GHEDLO N#Cc1ccc([C@H]([NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)C(N)=O)cc1 ZINC000551372452 883746093 /nfs/dbraw/zinc/74/60/93/883746093.db2.gz STMKJNQRNJGVGQ-KRWDZBQOSA-N 1 2 382.876 3.651 20 30 GHEDLO C=CCOc1ccc(C[NH+]2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cc1 ZINC000508644058 883919161 /nfs/dbraw/zinc/91/91/61/883919161.db2.gz AMTRGAXNTLBVAI-UHFFFAOYSA-N 1 2 389.499 3.620 20 30 GHEDLO C#CCOc1ccccc1[C@@H](C)OC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000805877695 884169290 /nfs/dbraw/zinc/16/92/90/884169290.db2.gz PKYFEGCYYVTZDU-MRXNPFEDSA-N 1 2 398.528 3.980 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)NCCCOc1cccc(F)c1 ZINC001183840991 912843997 /nfs/dbraw/zinc/84/39/97/912843997.db2.gz KUSCDUJKQIWXLB-QFIPXVFZSA-N 1 2 395.478 3.637 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)NCCCOc1cccc(F)c1 ZINC001183840991 912844021 /nfs/dbraw/zinc/84/40/21/912844021.db2.gz KUSCDUJKQIWXLB-QFIPXVFZSA-N 1 2 395.478 3.637 20 30 GHEDLO N#Cc1ccc(Oc2cccc(C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)c2)cc1 ZINC000152392148 884996220 /nfs/dbraw/zinc/99/62/20/884996220.db2.gz OJAIOHBIUWRNIO-LJQANCHMSA-N 1 2 384.439 3.754 20 30 GHEDLO C[C@@H]1C[NH+](Cc2ccc(C/N=C/c3cc([N+](=O)[O-])ccc3O)cc2)C[C@@H](C)O1 ZINC000914866029 885060276 /nfs/dbraw/zinc/06/02/76/885060276.db2.gz DQEXNANIZKAPLN-QBNDSOGLSA-N 1 2 383.448 3.529 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2cc(Br)ccc2OC)C1=O ZINC001275272871 912913389 /nfs/dbraw/zinc/91/33/89/912913389.db2.gz WIHDNNWYIVHAPF-IBGZPJMESA-N 1 2 393.325 3.601 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2cc(Br)ccc2OC)C1=O ZINC001275272871 912913401 /nfs/dbraw/zinc/91/34/01/912913401.db2.gz WIHDNNWYIVHAPF-IBGZPJMESA-N 1 2 393.325 3.601 20 30 GHEDLO Cc1nc(NC(=O)[C@H](C)[NH+]2CCC(Oc3cccc(C#N)c3)CC2)sc1C ZINC000104712920 885575507 /nfs/dbraw/zinc/57/55/07/885575507.db2.gz SADFODNFMVXZOE-AWEZNQCLSA-N 1 2 384.505 3.502 20 30 GHEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000193345249 885659138 /nfs/dbraw/zinc/65/91/38/885659138.db2.gz JFMISGGAHMEFNJ-CQSZACIVSA-N 1 2 385.414 3.707 20 30 GHEDLO N#Cc1ccccc1N1CCC[N@@H+]([C@@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000532557596 886108580 /nfs/dbraw/zinc/10/85/80/886108580.db2.gz AYJARFPSPQBVGP-OAQYLSRUSA-N 1 2 394.906 3.529 20 30 GHEDLO N#Cc1ccccc1N1CCC[N@H+]([C@@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000532557596 886108586 /nfs/dbraw/zinc/10/85/86/886108586.db2.gz AYJARFPSPQBVGP-OAQYLSRUSA-N 1 2 394.906 3.529 20 30 GHEDLO C=CCOc1ccccc1C[NH+]1CCN(CC(=O)Nc2c(C)cccc2C)CC1 ZINC000119412414 886667322 /nfs/dbraw/zinc/66/73/22/886667322.db2.gz HMCOXMUKWBUGKM-UHFFFAOYSA-N 1 2 393.531 3.625 20 30 GHEDLO CCCC#CC(=O)N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@H+]2CC ZINC001184268699 913109480 /nfs/dbraw/zinc/10/94/80/913109480.db2.gz VJRMNKBKNLHMAJ-UHFFFAOYSA-N 1 2 390.531 3.507 20 30 GHEDLO CCCC#CC(=O)N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@@H+]2CC ZINC001184268699 913109486 /nfs/dbraw/zinc/10/94/86/913109486.db2.gz VJRMNKBKNLHMAJ-UHFFFAOYSA-N 1 2 390.531 3.507 20 30 GHEDLO CC(C)[N@@H+](Cc1ccc(Br)cc1)Cn1nc(CC#N)n(C)c1=S ZINC000794624546 887691433 /nfs/dbraw/zinc/69/14/33/887691433.db2.gz ZDXXLFVHDSDCJK-UHFFFAOYSA-N 1 2 394.342 3.648 20 30 GHEDLO CC(C)[N@H+](Cc1ccc(Br)cc1)Cn1nc(CC#N)n(C)c1=S ZINC000794624546 887691439 /nfs/dbraw/zinc/69/14/39/887691439.db2.gz ZDXXLFVHDSDCJK-UHFFFAOYSA-N 1 2 394.342 3.648 20 30 GHEDLO CCOc1ccc(C#N)cc1NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000193895991 887807790 /nfs/dbraw/zinc/80/77/90/887807790.db2.gz YEMKBWJCAATZHN-UHFFFAOYSA-N 1 2 380.473 3.785 20 30 GHEDLO CC1(C#N)CC[NH+]([C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)CC1 ZINC000543717952 888293675 /nfs/dbraw/zinc/29/36/75/888293675.db2.gz FGMKRAXVOBSOKP-HXUWFJFHSA-N 1 2 389.455 3.736 20 30 GHEDLO N#Cc1cnc(Nc2ccc([NH+]3CCC(C(N)=O)CC3)cc2)c2sccc21 ZINC000865487009 888382006 /nfs/dbraw/zinc/38/20/06/888382006.db2.gz JZIZNSLYFHHHBS-UHFFFAOYSA-N 1 2 377.473 3.613 20 30 GHEDLO CC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccccc1OCC(=O)N(C)C ZINC000866237058 888791483 /nfs/dbraw/zinc/79/14/83/888791483.db2.gz DNTWGYQHKGWEEC-KXBFYZLASA-N 1 2 381.476 3.533 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000245565951 888967380 /nfs/dbraw/zinc/96/73/80/888967380.db2.gz QDOVZGNSIKJGNT-WOJBJXKFSA-N 1 2 381.426 3.695 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000245565951 888967392 /nfs/dbraw/zinc/96/73/92/888967392.db2.gz QDOVZGNSIKJGNT-WOJBJXKFSA-N 1 2 381.426 3.695 20 30 GHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+](C)CCC2CCOCC2)c1=S ZINC000121183106 889010276 /nfs/dbraw/zinc/01/02/76/889010276.db2.gz NKJJDLHGQGRSRX-UHFFFAOYSA-N 1 2 386.565 3.897 20 30 GHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+](C)CCC2CCOCC2)c1=S ZINC000121183106 889010290 /nfs/dbraw/zinc/01/02/90/889010290.db2.gz NKJJDLHGQGRSRX-UHFFFAOYSA-N 1 2 386.565 3.897 20 30 GHEDLO N#Cc1cccc(-c2cc(C(=O)N[C@H](Cn3cc[nH+]c3)c3ccccc3)on2)c1 ZINC001132815772 889602801 /nfs/dbraw/zinc/60/28/01/889602801.db2.gz STWCMMQRIJMVOX-HXUWFJFHSA-N 1 2 383.411 3.581 20 30 GHEDLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)Nc2ccc(CC#N)cc2)c2ccc(Cl)cc2)C1 ZINC000245772613 889688608 /nfs/dbraw/zinc/68/86/08/889688608.db2.gz SMMNMYIRDJMPMR-UXHICEINSA-N 1 2 398.894 3.599 20 30 GHEDLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)Nc2ccc(CC#N)cc2)c2ccc(Cl)cc2)C1 ZINC000245772613 889688616 /nfs/dbraw/zinc/68/86/16/889688616.db2.gz SMMNMYIRDJMPMR-UXHICEINSA-N 1 2 398.894 3.599 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000454757230 889695151 /nfs/dbraw/zinc/69/51/51/889695151.db2.gz JJSQZALWGURNPD-KNEBKQPDSA-N 1 2 392.906 3.996 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000454757230 889695159 /nfs/dbraw/zinc/69/51/59/889695159.db2.gz JJSQZALWGURNPD-KNEBKQPDSA-N 1 2 392.906 3.996 20 30 GHEDLO Cc1cc(NCCCc2nn(-c3ccccc3)c(N)c2C#N)nc(C2CCC2)[nH+]1 ZINC001184785697 913431253 /nfs/dbraw/zinc/43/12/53/913431253.db2.gz YQDKIKGMFQQGJQ-UHFFFAOYSA-N 1 2 387.491 3.737 20 30 GHEDLO CO[C@@]1(C(F)(F)F)CCC[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1 ZINC000614925012 891603930 /nfs/dbraw/zinc/60/39/30/891603930.db2.gz RGWHOVMSLQWYMI-IBGZPJMESA-N 1 2 397.441 3.593 20 30 GHEDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1 ZINC000614925012 891603936 /nfs/dbraw/zinc/60/39/36/891603936.db2.gz RGWHOVMSLQWYMI-IBGZPJMESA-N 1 2 397.441 3.593 20 30 GHEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)Cn1c2cc(C)nn2c2ccccc2c1=O ZINC000917457112 892027361 /nfs/dbraw/zinc/02/73/61/892027361.db2.gz ABOCONKESWLEHQ-UHFFFAOYSA-N 1 2 385.471 3.699 20 30 GHEDLO CCC[N@H+](Cc1ccc(C#N)cc1)Cn1c2cc(C)nn2c2ccccc2c1=O ZINC000917457112 892027378 /nfs/dbraw/zinc/02/73/78/892027378.db2.gz ABOCONKESWLEHQ-UHFFFAOYSA-N 1 2 385.471 3.699 20 30 GHEDLO C#CCOc1cccc(Cl)c1C[NH2+]CC(=O)Nc1cccc2cccnc21 ZINC000778160352 892973433 /nfs/dbraw/zinc/97/34/33/892973433.db2.gz FPAOQPDZLRUPKH-UHFFFAOYSA-N 1 2 379.847 3.629 20 30 GHEDLO C#CCOc1cccc(Cl)c1C[NH2+]Cc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC000778163928 892991105 /nfs/dbraw/zinc/99/11/05/892991105.db2.gz JLYSECQWZXANES-SFHVURJKSA-N 1 2 398.934 3.863 20 30 GHEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCCc2cccc(C#N)c2)C[C@H](C)O1 ZINC000466821110 913721703 /nfs/dbraw/zinc/72/17/03/913721703.db2.gz FNFWZMFGXFFXBV-ROUUACIJSA-N 1 2 392.503 3.532 20 30 GHEDLO CCOC(=O)n1nc2c(c1Nc1nc3ccccc3c(C)c1C#N)C[NH2+]C2(C)C ZINC001170757022 893065515 /nfs/dbraw/zinc/06/55/15/893065515.db2.gz QTFTWRZUBWUXQC-UHFFFAOYSA-N 1 2 390.447 3.698 20 30 GHEDLO CN(C)C(=O)Sc1ccc(C[N@@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)cc1 ZINC000933628955 893110838 /nfs/dbraw/zinc/11/08/38/893110838.db2.gz QSTANJCWVNBJHO-FQEVSTJZSA-N 1 2 381.501 3.905 20 30 GHEDLO CN(C)C(=O)Sc1ccc(C[N@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)cc1 ZINC000933628955 893110845 /nfs/dbraw/zinc/11/08/45/893110845.db2.gz QSTANJCWVNBJHO-FQEVSTJZSA-N 1 2 381.501 3.905 20 30 GHEDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)Cc1cc(C#N)cs1 ZINC000933775228 893211657 /nfs/dbraw/zinc/21/16/57/893211657.db2.gz LVILLQPVSKMZDZ-SNVBAGLBSA-N 1 2 378.841 3.640 20 30 GHEDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933775228 893211668 /nfs/dbraw/zinc/21/16/68/893211668.db2.gz LVILLQPVSKMZDZ-SNVBAGLBSA-N 1 2 378.841 3.640 20 30 GHEDLO Cn1cc([C@H]2CSCCC[N@@H+]2Cc2ccc(C#N)cc2OC(F)F)cn1 ZINC000933986167 893338912 /nfs/dbraw/zinc/33/89/12/893338912.db2.gz PZPVHXPUABCPLP-MRXNPFEDSA-N 1 2 378.448 3.573 20 30 GHEDLO Cn1cc([C@H]2CSCCC[N@H+]2Cc2ccc(C#N)cc2OC(F)F)cn1 ZINC000933986167 893338932 /nfs/dbraw/zinc/33/89/32/893338932.db2.gz PZPVHXPUABCPLP-MRXNPFEDSA-N 1 2 378.448 3.573 20 30 GHEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000563534155 893873561 /nfs/dbraw/zinc/87/35/61/893873561.db2.gz QDPQYVVRUQUTHZ-JOCHJYFZSA-N 1 2 385.471 3.680 20 30 GHEDLO C=C(C)CS(=O)(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC000563675718 894053536 /nfs/dbraw/zinc/05/35/36/894053536.db2.gz JGHLMZXJPWNYAO-OAHLLOKOSA-N 1 2 398.878 3.761 20 30 GHEDLO C=C(C)CS(=O)(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC000563675718 894053552 /nfs/dbraw/zinc/05/35/52/894053552.db2.gz JGHLMZXJPWNYAO-OAHLLOKOSA-N 1 2 398.878 3.761 20 30 GHEDLO C=CCCC[C@H](C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000878553407 894380481 /nfs/dbraw/zinc/38/04/81/894380481.db2.gz YZBQBLWPLMWETR-QHCPKHFHSA-N 1 2 383.580 3.801 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(C(C)(C)O)CC1 ZINC000879627823 895183143 /nfs/dbraw/zinc/18/31/43/895183143.db2.gz SRKOLOYQJZZLFY-OAHLLOKOSA-N 1 2 375.538 3.502 20 30 GHEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(COc3ccc4ccccc4c3)o2)CC1 ZINC000128932397 896288134 /nfs/dbraw/zinc/28/81/34/896288134.db2.gz GQOCSVYVWYYTSI-UHFFFAOYSA-N 1 2 388.467 3.793 20 30 GHEDLO CC[C@@H](C#N)Oc1cccc(CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC000819878801 897026403 /nfs/dbraw/zinc/02/64/03/897026403.db2.gz JKAMNQXJCIWZOV-PZJWPPBQSA-N 1 2 388.471 3.929 20 30 GHEDLO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000568192350 897666056 /nfs/dbraw/zinc/66/60/56/897666056.db2.gz IFNINXOKTHALCE-GFCCVEGCSA-N 1 2 380.261 3.705 20 30 GHEDLO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000568192350 897666061 /nfs/dbraw/zinc/66/60/61/897666061.db2.gz IFNINXOKTHALCE-GFCCVEGCSA-N 1 2 380.261 3.705 20 30 GHEDLO N#CCOc1ccc(/C=C/C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cc1 ZINC000107180139 898314608 /nfs/dbraw/zinc/31/46/08/898314608.db2.gz XPGXMVSAQGORHQ-JXMROGBWSA-N 1 2 390.487 3.694 20 30 GHEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(N[C@@H]2CCc3ccc(O)cc3C2)[nH+]1 ZINC001171029650 899236315 /nfs/dbraw/zinc/23/63/15/899236315.db2.gz RMGLCXWHPDWAFC-JLKYKNFZSA-N 1 2 385.533 3.946 20 30 GHEDLO CCOC(=O)c1cncn1-c1ccc(NC(=[NH2+])c2ccc3ccccc3n2)cc1 ZINC001171047940 899421725 /nfs/dbraw/zinc/42/17/25/899421725.db2.gz JXVSVFGCEWEIRY-UHFFFAOYSA-N 1 2 385.427 3.634 20 30 GHEDLO Cc1nc(C[NH+]2CCC(C(=O)O[C@H](C)COc3cccc(C#N)c3)CC2)cs1 ZINC000805882179 899900826 /nfs/dbraw/zinc/90/08/26/899900826.db2.gz TUTSEMAOAOCKFW-OAHLLOKOSA-N 1 2 399.516 3.546 20 30 GHEDLO CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000825017403 899937329 /nfs/dbraw/zinc/93/73/29/899937329.db2.gz QIQIRAAWHQYGLM-QGZVFWFLSA-N 1 2 390.553 3.872 20 30 GHEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3[nH]c4ccccc4c3C#N)CC2)cc1 ZINC001136983803 899959521 /nfs/dbraw/zinc/95/95/21/899959521.db2.gz AWQIYJVRFGMQDP-UHFFFAOYSA-N 1 2 387.487 3.504 20 30 GHEDLO N#Cc1cccc(Cl)c1CN1Cc2c[nH+]cn2C[C@H](COc2ccccn2)C1 ZINC001143724403 900444030 /nfs/dbraw/zinc/44/40/30/900444030.db2.gz WUEKPSNGJFXOMW-MRXNPFEDSA-N 1 2 393.878 3.514 20 30 GHEDLO Cn1cc(C[N@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)c(C(F)(F)F)n1 ZINC000573297860 900450365 /nfs/dbraw/zinc/45/03/65/900450365.db2.gz DSEYCUNOUJZHOY-UHFFFAOYSA-N 1 2 376.304 3.961 20 30 GHEDLO Cn1cc(C[N@@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)c(C(F)(F)F)n1 ZINC000573297860 900450370 /nfs/dbraw/zinc/45/03/70/900450370.db2.gz DSEYCUNOUJZHOY-UHFFFAOYSA-N 1 2 376.304 3.961 20 30 GHEDLO COc1ccc(F)c(C[NH+]2CCC(Oc3ccc(C#N)cc3OC)CC2)c1F ZINC001143980099 900863604 /nfs/dbraw/zinc/86/36/04/900863604.db2.gz BVRNQSZQJUODHO-UHFFFAOYSA-N 1 2 388.414 3.897 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccc(C#N)cn2)[C@H](Cc2ccccc2)C1 ZINC001144163096 901176606 /nfs/dbraw/zinc/17/66/06/901176606.db2.gz MDZNHURUOQKLIF-OAQYLSRUSA-N 1 2 392.503 3.617 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2ccc(C#N)cn2)[C@H](Cc2ccccc2)C1 ZINC001144163096 901176614 /nfs/dbraw/zinc/17/66/14/901176614.db2.gz MDZNHURUOQKLIF-OAQYLSRUSA-N 1 2 392.503 3.617 20 30 GHEDLO C=CCC1(O)CC[NH+]([C@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@H](C)CC4)CC1 ZINC000886757961 901256511 /nfs/dbraw/zinc/25/65/11/901256511.db2.gz WDBMVAUKUQJZBL-ZIAGYGMSSA-N 1 2 387.549 3.986 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)N2CCC(CCC#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000576460695 902035211 /nfs/dbraw/zinc/03/52/11/902035211.db2.gz BASPAWCAVDFXEF-OALUTQOASA-N 1 2 392.906 3.950 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)N2CCC(CCC#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000576460695 902035217 /nfs/dbraw/zinc/03/52/17/902035217.db2.gz BASPAWCAVDFXEF-OALUTQOASA-N 1 2 392.906 3.950 20 30 GHEDLO Cc1cc(C#N)ccc1NC1CCC(OC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000845498426 902205960 /nfs/dbraw/zinc/20/59/60/902205960.db2.gz DRNCZBKLWQBIOD-UHFFFAOYSA-N 1 2 392.503 3.909 20 30 GHEDLO C[C@@H](c1ccccc1)[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)C1CC1 ZINC000264253112 902965970 /nfs/dbraw/zinc/96/59/70/902965970.db2.gz YBTANRLBSGBAAB-HNAYVOBHSA-N 1 2 386.455 3.737 20 30 GHEDLO C[C@@H](c1ccccc1)[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)C1CC1 ZINC000264253112 902965976 /nfs/dbraw/zinc/96/59/76/902965976.db2.gz YBTANRLBSGBAAB-HNAYVOBHSA-N 1 2 386.455 3.737 20 30 GHEDLO Cc1nccn1CCC[N@@H+](C)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000130907003 903038292 /nfs/dbraw/zinc/03/82/92/903038292.db2.gz CNACEFTYEYYSAP-MRXNPFEDSA-N 1 2 385.537 3.546 20 30 GHEDLO Cc1nccn1CCC[N@H+](C)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000130907003 903038307 /nfs/dbraw/zinc/03/83/07/903038307.db2.gz CNACEFTYEYYSAP-MRXNPFEDSA-N 1 2 385.537 3.546 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000264512480 903159413 /nfs/dbraw/zinc/15/94/13/903159413.db2.gz XZCIQDJOBUCCDJ-OAHLLOKOSA-N 1 2 397.500 3.880 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000264512480 903159417 /nfs/dbraw/zinc/15/94/17/903159417.db2.gz XZCIQDJOBUCCDJ-OAHLLOKOSA-N 1 2 397.500 3.880 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000577777946 903175542 /nfs/dbraw/zinc/17/55/42/903175542.db2.gz LGWQWFVPBIGBMU-CQSZACIVSA-N 1 2 398.507 3.791 20 30 GHEDLO CC(C)(CCC#N)c1ccc(C(=O)N2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC001148906739 904244678 /nfs/dbraw/zinc/24/46/78/904244678.db2.gz YLRFRVCQJGLFBW-UHFFFAOYSA-N 1 2 390.531 3.663 20 30 GHEDLO C=CCOc1ccccc1[C@@H](C)Nc1cc(N2CCC(C(=O)OC)CC2)nc[nH+]1 ZINC001171369191 904366809 /nfs/dbraw/zinc/36/68/09/904366809.db2.gz LWZXWOOGKAPIRL-MRXNPFEDSA-N 1 2 396.491 3.604 20 30 GHEDLO C=CCOc1ccccc1[C@@H](C)Nc1cc(N2CCC(C(=O)OC)CC2)[nH+]cn1 ZINC001171369191 904366818 /nfs/dbraw/zinc/36/68/18/904366818.db2.gz LWZXWOOGKAPIRL-MRXNPFEDSA-N 1 2 396.491 3.604 20 30 GHEDLO C[C@@H](c1nnc(SCCCSCC#N)n1-c1ccc(F)cc1)[NH+](C)C ZINC000174001238 905182787 /nfs/dbraw/zinc/18/27/87/905182787.db2.gz ZXWIFORPFNMWTG-ZDUSSCGKSA-N 1 2 379.530 3.768 20 30 GHEDLO CC[C@H](C#N)OC(=O)c1cccnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000779222027 905458784 /nfs/dbraw/zinc/45/87/84/905458784.db2.gz SKSORTFJZSUKGJ-GOSISDBHSA-N 1 2 398.894 3.516 20 30 GHEDLO Cc1ccc([C@H](C)[N@H+](C)CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)c(C)c1 ZINC000299094703 921189326 /nfs/dbraw/zinc/18/93/26/921189326.db2.gz ZYXGHKDRYDDADL-QFBILLFUSA-N 1 2 388.471 3.822 20 30 GHEDLO Cc1ccc([C@H](C)[N@@H+](C)CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)c(C)c1 ZINC000299094703 921189332 /nfs/dbraw/zinc/18/93/32/921189332.db2.gz ZYXGHKDRYDDADL-QFBILLFUSA-N 1 2 388.471 3.822 20 30 GHEDLO N#Cc1c(F)c(Cl)ccc1Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001174433790 907026082 /nfs/dbraw/zinc/02/60/82/907026082.db2.gz QHUTUVDGLYMKFJ-UHFFFAOYSA-N 1 2 375.831 3.805 20 30 GHEDLO C[C@H](c1nnc(SCCO[C@@H](C)C#N)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000801654803 921362197 /nfs/dbraw/zinc/36/21/97/921362197.db2.gz OHQAMRZGIBATRH-QWHCGFSZSA-N 1 2 379.917 3.564 20 30 GHEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2cc(O)cc(Cl)c2)CC1 ZINC001180189971 910026937 /nfs/dbraw/zinc/02/69/37/910026937.db2.gz ZIWOUEZMSQJKQE-UHFFFAOYSA-N 1 2 378.863 3.788 20 30 GHEDLO C[C@H](C#N)OCCN1CC[NH+]([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000801917983 921623511 /nfs/dbraw/zinc/62/35/11/921623511.db2.gz UKWUDLNXIBKLMQ-XMSQKQJNSA-N 1 2 383.923 3.976 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000366480666 921643670 /nfs/dbraw/zinc/64/36/70/921643670.db2.gz JPKPYVIMTQYNDU-AEFFLSMTSA-N 1 2 387.549 3.625 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000366480666 921643676 /nfs/dbraw/zinc/64/36/76/921643676.db2.gz JPKPYVIMTQYNDU-AEFFLSMTSA-N 1 2 387.549 3.625 20 30 GHEDLO COC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)CC3 ZINC000092261237 911460138 /nfs/dbraw/zinc/46/01/38/911460138.db2.gz CYUSFJBYCINOGB-OAHLLOKOSA-N 1 2 389.455 3.804 20 30 GHEDLO COC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)CC3 ZINC000092261237 911460144 /nfs/dbraw/zinc/46/01/44/911460144.db2.gz CYUSFJBYCINOGB-OAHLLOKOSA-N 1 2 389.455 3.804 20 30 GHEDLO C[NH+]1CCN(c2ccc(N[C@H]3CCC[C@H](C#N)C3)cc2Br)CC1 ZINC000774378046 911684695 /nfs/dbraw/zinc/68/46/95/911684695.db2.gz XJHLANHVAMQYHI-GJZGRUSLSA-N 1 2 377.330 3.695 20 30 GHEDLO Cn1c(CC#N)nn(C[N@@H+]2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)c1=S ZINC000795654753 911918962 /nfs/dbraw/zinc/91/89/62/911918962.db2.gz TWOZHWDJCWNPJA-AWEZNQCLSA-N 1 2 395.454 3.873 20 30 GHEDLO Cn1c(CC#N)nn(C[N@H+]2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)c1=S ZINC000795654753 911918972 /nfs/dbraw/zinc/91/89/72/911918972.db2.gz TWOZHWDJCWNPJA-AWEZNQCLSA-N 1 2 395.454 3.873 20 30 GHEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2cc(Br)ccc2OCC)C1=O ZINC001275603527 915254766 /nfs/dbraw/zinc/25/47/66/915254766.db2.gz HZQHOWNDLZUUCW-IBGZPJMESA-N 1 2 393.325 3.601 20 30 GHEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(Br)ccc2OCC)C1=O ZINC001275603527 915254776 /nfs/dbraw/zinc/25/47/76/915254776.db2.gz HZQHOWNDLZUUCW-IBGZPJMESA-N 1 2 393.325 3.601 20 30 GHEDLO C=CCC1(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC001190796973 917569844 /nfs/dbraw/zinc/56/98/44/917569844.db2.gz PWONCXVXMCTDSR-UHFFFAOYSA-N 1 2 396.556 3.832 20 30 GHEDLO N#Cc1ccccc1COc1cccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000362976747 917576616 /nfs/dbraw/zinc/57/66/16/917576616.db2.gz ZVXLTVKECOKFTA-IBGZPJMESA-N 1 2 386.455 3.880 20 30 GHEDLO CCCCCCCCNC(=O)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001191060545 917731686 /nfs/dbraw/zinc/73/16/86/917731686.db2.gz YENCRRLSKNHNRH-LJQANCHMSA-N 1 2 399.539 3.859 20 30 GHEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)cc1 ZINC000113249157 919364798 /nfs/dbraw/zinc/36/47/98/919364798.db2.gz PASPDCIVYHUOLR-ZDUSSCGKSA-N 1 2 375.856 3.630 20 30 GHEDLO CC(C)Oc1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)c(C(F)(F)F)c1 ZINC000115599193 919457487 /nfs/dbraw/zinc/45/74/87/919457487.db2.gz XNCJJNHLTDHSIA-GOSISDBHSA-N 1 2 391.393 3.680 20 30 GHEDLO CC(C)(C)n1ncnc1CO[NH+]=C(N)c1ccc(COc2ccccc2F)cc1 ZINC000800867777 920546050 /nfs/dbraw/zinc/54/60/50/920546050.db2.gz FLDUSTWPJBDDRH-UHFFFAOYSA-N 1 2 397.454 3.588 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000368792947 922878646 /nfs/dbraw/zinc/87/86/46/922878646.db2.gz REIDVIKMJUOSGD-FUHWJXTLSA-N 1 2 387.549 3.910 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000368792947 922878655 /nfs/dbraw/zinc/87/86/55/922878655.db2.gz REIDVIKMJUOSGD-FUHWJXTLSA-N 1 2 387.549 3.910 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3Cl)CC2)cc1 ZINC000010085730 923812300 /nfs/dbraw/zinc/81/23/00/923812300.db2.gz BMNQEUZSGIWZFY-UXHICEINSA-N 1 2 379.891 3.660 20 30 GHEDLO N#Cc1ccc(C2=CCN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)CC2)cc1 ZINC000371409661 924566442 /nfs/dbraw/zinc/56/64/42/924566442.db2.gz NSOXLOSRLDCADJ-UHFFFAOYSA-N 1 2 399.410 3.582 20 30 GHEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c(Cl)cc(O)cc1Cl ZINC001276165293 926414503 /nfs/dbraw/zinc/41/45/03/926414503.db2.gz SWIDFHALWNQVES-IAGOWNOFSA-N 1 2 382.291 3.568 20 30 GHEDLO N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(Cl)cc(O)cc1Cl ZINC001276165293 926414509 /nfs/dbraw/zinc/41/45/09/926414509.db2.gz SWIDFHALWNQVES-IAGOWNOFSA-N 1 2 382.291 3.568 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411949473 926940070 /nfs/dbraw/zinc/94/00/70/926940070.db2.gz QQLZWLTYMXABHT-IMFGXOCKSA-N 1 2 395.528 3.685 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411949473 926940080 /nfs/dbraw/zinc/94/00/80/926940080.db2.gz QQLZWLTYMXABHT-IMFGXOCKSA-N 1 2 395.528 3.685 20 30 GHEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000374381176 927078880 /nfs/dbraw/zinc/07/88/80/927078880.db2.gz RQBLYQKDFRRRMO-LJQANCHMSA-N 1 2 386.455 3.500 20 30 GHEDLO C=CCC[C@H](NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000750292137 927539225 /nfs/dbraw/zinc/53/92/25/927539225.db2.gz QMSRSNWVSGTPFR-YJBOKZPZSA-N 1 2 399.457 3.733 20 30 GHEDLO C=CCC[C@H](NC(=O)NCC[N@H+]1CCO[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000750292137 927539235 /nfs/dbraw/zinc/53/92/35/927539235.db2.gz QMSRSNWVSGTPFR-YJBOKZPZSA-N 1 2 399.457 3.733 20 30 GHEDLO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC[C@H]1C ZINC000467291474 928922247 /nfs/dbraw/zinc/92/22/47/928922247.db2.gz NRKFXIHGWKGRBV-CKEIUWERSA-N 1 2 375.538 3.572 20 30 GHEDLO CO[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC[C@H]1C ZINC000467291474 928922255 /nfs/dbraw/zinc/92/22/55/928922255.db2.gz NRKFXIHGWKGRBV-CKEIUWERSA-N 1 2 375.538 3.572 20 30 GHEDLO Cc1ccc(-c2noc([C@H](C)O[NH+]=C(N)c3ccc4c(c3)CCO4)n2)cc1F ZINC000753822556 929551111 /nfs/dbraw/zinc/55/11/11/929551111.db2.gz RJXKDEFEKRFSCU-LBPRGKRZSA-N 1 2 382.395 3.517 20 30 GHEDLO Fc1ccccc1-c1nc2c(s1)C(=NNC1=[NH+][C@@H]3CCCC[C@H]3N1)CCC2 ZINC000753940192 929603066 /nfs/dbraw/zinc/60/30/66/929603066.db2.gz RYYBMVKHMQXXDC-HUUCEWRRSA-N 1 2 383.496 3.850 20 30 GHEDLO COc1cc(CNc2cc(CC#N)cc[nH+]2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000545927217 929685704 /nfs/dbraw/zinc/68/57/04/929685704.db2.gz ZOZWIGKQTFWOCI-UHFFFAOYSA-N 1 2 396.325 3.618 20 30 GHEDLO CC[NH+](CC)[C@H](C(=O)OCC1(C#N)CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000780540051 930544514 /nfs/dbraw/zinc/54/45/14/930544514.db2.gz UTLPXOHKPJZBDR-KRWDZBQOSA-N 1 2 398.425 3.952 20 30 GHEDLO CO[C@]1(C(F)(F)F)CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000781983088 931051125 /nfs/dbraw/zinc/05/11/25/931051125.db2.gz FBALOMIIFDNRET-QFBILLFUSA-N 1 2 397.441 3.674 20 30 GHEDLO CO[C@]1(C(F)(F)F)CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000781983088 931051129 /nfs/dbraw/zinc/05/11/29/931051129.db2.gz FBALOMIIFDNRET-QFBILLFUSA-N 1 2 397.441 3.674 20 30 GHEDLO COc1ccc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cc1C#N ZINC000471015295 931094469 /nfs/dbraw/zinc/09/44/69/931094469.db2.gz UZAWMTFOXVSGML-HXUWFJFHSA-N 1 2 380.879 3.603 20 30 GHEDLO CCO[C@@H](C)c1nc(CO[NH+]=C(N)c2ccc(Br)cc2)cs1 ZINC000782949753 931372711 /nfs/dbraw/zinc/37/27/11/931372711.db2.gz YSWAPQBVFHOGEA-JTQLQIEISA-N 1 2 384.299 3.840 20 30 GHEDLO CC[C@H]([NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1cccc(C#N)c1O ZINC000924775413 931533614 /nfs/dbraw/zinc/53/36/14/931533614.db2.gz ACOUTHLCYINFPB-PMACEKPBSA-N 1 2 379.460 3.622 20 30 GHEDLO Cc1cc(Br)cn2c(CN=Nc3nncc4ccccc43)c[nH+]c12 ZINC000783791561 931656596 /nfs/dbraw/zinc/65/65/96/931656596.db2.gz KQPKTGGIQLAAKI-UHFFFAOYSA-N 1 2 381.237 3.794 20 30 GHEDLO Cc1cc(Br)cn2c(CN=Nc3ncnc4ccsc43)c[nH+]c12 ZINC000783855873 931694007 /nfs/dbraw/zinc/69/40/07/931694007.db2.gz PJOXKTJHPWQOIO-UHFFFAOYSA-N 1 2 387.266 3.856 20 30 GHEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(Cc2cccc(OC)c2)CC1 ZINC000784309767 931851908 /nfs/dbraw/zinc/85/19/08/931851908.db2.gz ZJBKVKSPGMPPMR-JOCHJYFZSA-N 1 2 378.472 3.736 20 30 GHEDLO CC(C)C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)CSCC#N ZINC000558161848 931864868 /nfs/dbraw/zinc/86/48/68/931864868.db2.gz CVOPRGJKJCQXJI-GOSISDBHSA-N 1 2 379.957 3.656 20 30 GHEDLO CC(C)C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)CSCC#N ZINC000558161848 931864874 /nfs/dbraw/zinc/86/48/74/931864874.db2.gz CVOPRGJKJCQXJI-GOSISDBHSA-N 1 2 379.957 3.656 20 30 GHEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC(C)=C(Br)C2)c(OC)c1 ZINC000797528949 932321033 /nfs/dbraw/zinc/32/10/33/932321033.db2.gz BHVAVQDSEQADAC-INIZCTEOSA-N 1 2 396.325 3.538 20 30 GHEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC(C)=C(Br)C2)c(OC)c1 ZINC000797528949 932321039 /nfs/dbraw/zinc/32/10/39/932321039.db2.gz BHVAVQDSEQADAC-INIZCTEOSA-N 1 2 396.325 3.538 20 30 GHEDLO Cc1cc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc(C)c1OC(F)F ZINC000798275771 932588712 /nfs/dbraw/zinc/58/87/12/932588712.db2.gz UJLJTHQYEFBZMO-HOTGVXAUSA-N 1 2 395.450 3.754 20 30 GHEDLO O=C(NCC1CC[NH+](Cc2ccc(F)cc2C(F)(F)F)CC1)C(F)(F)F ZINC000798956131 932838284 /nfs/dbraw/zinc/83/82/84/932838284.db2.gz IRWJMJFCSIFZNX-UHFFFAOYSA-N 1 2 386.311 3.735 20 30 GHEDLO O=C(NCC1CC[NH+](Cc2cc(C(F)(F)F)ccc2F)CC1)C(F)(F)F ZINC000798957737 932839916 /nfs/dbraw/zinc/83/99/16/932839916.db2.gz GLMMMFGROXZWAE-UHFFFAOYSA-N 1 2 386.311 3.735 20 30 GHEDLO C=CCn1c(SCC[NH+]2CCOCC2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000799238767 932930721 /nfs/dbraw/zinc/93/07/21/932930721.db2.gz MOVKGEUDMHZBRC-UHFFFAOYSA-N 1 2 386.565 3.853 20 30 GHEDLO C=CCn1c(SCC[N@@H+]2CCO[C@H](C)C2)nnc1-c1cccc(Cl)c1 ZINC000559995887 933003533 /nfs/dbraw/zinc/00/35/33/933003533.db2.gz CSWQLDMUVSUERN-CQSZACIVSA-N 1 2 378.929 3.597 20 30 GHEDLO C=CCn1c(SCC[N@H+]2CCO[C@H](C)C2)nnc1-c1cccc(Cl)c1 ZINC000559995887 933003546 /nfs/dbraw/zinc/00/35/46/933003546.db2.gz CSWQLDMUVSUERN-CQSZACIVSA-N 1 2 378.929 3.597 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](Cc3cnc(CCc4ccccc4)s3)CC2)nc1 ZINC000560102106 933065752 /nfs/dbraw/zinc/06/57/52/933065752.db2.gz YJVDIGALMJHXMI-UHFFFAOYSA-N 1 2 389.528 3.517 20 30 GHEDLO COC(=O)c1cccc(C[NH2+][C@@](C)(CO)c2cc(Cl)cc(Cl)c2)c1C#N ZINC000560314861 933199986 /nfs/dbraw/zinc/19/99/86/933199986.db2.gz MZBBWIFXMHZSCV-IBGZPJMESA-N 1 2 393.270 3.649 20 30 GHEDLO COC[C@@H](C)N[NH+]=CC1=C(N2CCOCC2)/C(=C/c2ccc(Cl)cc2)CC1 ZINC000777901788 934024694 /nfs/dbraw/zinc/02/46/94/934024694.db2.gz LXEIEMYYIPSSPQ-DAMIFDAMSA-N 1 2 389.927 3.714 20 30 GHEDLO CC(C)[C@@H]([NH2+]Cc1ccc(Br)cc1C#N)c1nnc2ccccn21 ZINC000561861623 934513142 /nfs/dbraw/zinc/51/31/42/934513142.db2.gz OEVQEWPCLANTBS-QGZVFWFLSA-N 1 2 384.281 3.850 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC(OCc2ccccc2)CC1 ZINC001121509571 934679416 /nfs/dbraw/zinc/67/94/16/934679416.db2.gz LONGUCOMFWRHFT-OAQYLSRUSA-N 1 2 395.551 3.807 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC(OCc2ccccc2)CC1 ZINC001121509571 934679421 /nfs/dbraw/zinc/67/94/21/934679421.db2.gz LONGUCOMFWRHFT-OAQYLSRUSA-N 1 2 395.551 3.807 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N(C)[C@@H]1CCC[C@H]1C#N ZINC001121582201 934705602 /nfs/dbraw/zinc/70/56/02/934705602.db2.gz SFCCTXUGAXFVFG-YSIASYRMSA-N 1 2 378.524 3.786 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N(C)[C@@H]1CCC[C@H]1C#N ZINC001121582201 934705606 /nfs/dbraw/zinc/70/56/06/934705606.db2.gz SFCCTXUGAXFVFG-YSIASYRMSA-N 1 2 378.524 3.786 20 30 GHEDLO C[C@H](Cc1cncc2ccccc21)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000562164300 934740052 /nfs/dbraw/zinc/74/00/52/934740052.db2.gz KVRTYEAHOYLLDD-LJQANCHMSA-N 1 2 398.510 3.629 20 30 GHEDLO C=CCC(C)(C)c1nc(-c2ccc(N3CCN(c4cccc[nH+]4)CC3)nc2)no1 ZINC000562342972 934829080 /nfs/dbraw/zinc/82/90/80/934829080.db2.gz ZRAACXXBKGPZIS-UHFFFAOYSA-N 1 2 390.491 3.707 20 30 GHEDLO C[N@@H+]1CCC[C@@H]1c1nnc(N2Cc3ccc(C#N)cc3C2)n1CCc1ccccc1 ZINC001122188559 934840634 /nfs/dbraw/zinc/84/06/34/934840634.db2.gz ANKVDFMIHQAXCJ-JOCHJYFZSA-N 1 2 398.514 3.679 20 30 GHEDLO C[N@H+]1CCC[C@@H]1c1nnc(N2Cc3ccc(C#N)cc3C2)n1CCc1ccccc1 ZINC001122188559 934840638 /nfs/dbraw/zinc/84/06/38/934840638.db2.gz ANKVDFMIHQAXCJ-JOCHJYFZSA-N 1 2 398.514 3.679 20 30 GHEDLO N#Cc1cc(C(=O)N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)co1 ZINC001125009292 935507168 /nfs/dbraw/zinc/50/71/68/935507168.db2.gz BEDPDFVDNDNVFH-UHFFFAOYSA-N 1 2 395.459 3.977 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2nc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001227245952 1032341346 /nfs/dbraw/zinc/34/13/46/1032341346.db2.gz DCNJIQFCZBVLRT-CQSZACIVSA-N 1 2 392.337 3.534 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2nc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001227245952 1032341355 /nfs/dbraw/zinc/34/13/55/1032341355.db2.gz DCNJIQFCZBVLRT-CQSZACIVSA-N 1 2 392.337 3.534 20 30 GHEDLO CC[NH+]1CC(Oc2ccc(C=CC(=O)CC(=O)C=Cc3ccc(O)cc3)cc2)C1 ZINC001227592533 1032476618 /nfs/dbraw/zinc/47/66/18/1032476618.db2.gz CYKWJDDQKYIZOR-YDWXAUTNSA-N 1 2 391.467 3.730 20 30 GHEDLO C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000560515838 1017649504 /nfs/dbraw/zinc/64/95/04/1017649504.db2.gz MDCNSPYTNJHDSP-QAQDUYKDSA-N 1 2 381.476 3.808 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH+]2CCC(c3ncco3)CC2)c1C#N ZINC000931447746 1017981804 /nfs/dbraw/zinc/98/18/04/1017981804.db2.gz WJKZARZUKHHGBX-UHFFFAOYSA-N 1 2 395.507 3.898 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC001204417008 1032847244 /nfs/dbraw/zinc/84/72/44/1032847244.db2.gz RSKJEOXYKBQBTB-QGZVFWFLSA-N 1 2 381.398 3.621 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(OC(F)(F)F)cc1 ZINC001204417008 1032847256 /nfs/dbraw/zinc/84/72/56/1032847256.db2.gz RSKJEOXYKBQBTB-QGZVFWFLSA-N 1 2 381.398 3.621 20 30 GHEDLO C=C[C@](C)(O)CC(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000574328351 1019865386 /nfs/dbraw/zinc/86/53/86/1019865386.db2.gz ZTJNBDMMKVUHQP-PKTZIBPZSA-N 1 2 398.934 3.901 20 30 GHEDLO C=C[C@@](C)(O)CC(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000574328349 1019865724 /nfs/dbraw/zinc/86/57/24/1019865724.db2.gz ZTJNBDMMKVUHQP-DHIUTWEWSA-N 1 2 398.934 3.901 20 30 GHEDLO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000191924253 1020832113 /nfs/dbraw/zinc/83/21/13/1020832113.db2.gz QEFJDOIJNWPWDH-UHFFFAOYSA-N 1 2 390.256 3.839 20 30 GHEDLO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000191924253 1020832117 /nfs/dbraw/zinc/83/21/17/1020832117.db2.gz QEFJDOIJNWPWDH-UHFFFAOYSA-N 1 2 390.256 3.839 20 30 GHEDLO N#Cc1cccc(NC(=O)N2CC[NH+](CCCC(=O)c3ccc(F)cc3)CC2)c1 ZINC001202785706 1021290639 /nfs/dbraw/zinc/29/06/39/1021290639.db2.gz GCHYRTCGWLMTHW-UHFFFAOYSA-N 1 2 394.450 3.510 20 30 GHEDLO COC(=O)c1ccc(OC2CC[NH+](Cc3cc(F)c(C#N)c(F)c3)CC2)cc1 ZINC001140753356 1022439168 /nfs/dbraw/zinc/43/91/68/1022439168.db2.gz FDPHHJKCRMXGOU-UHFFFAOYSA-N 1 2 386.398 3.666 20 30 GHEDLO CCc1ccc([C@@H](COC)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)o1 ZINC000754348159 1022634759 /nfs/dbraw/zinc/63/47/59/1022634759.db2.gz QCQKBSPCIUATEQ-YLJYHZDGSA-N 1 2 383.492 3.763 20 30 GHEDLO CN(CC[N@H+](C)Cc1cc(C#N)ccc1Br)C(=O)OC(C)(C)C ZINC000755062003 1023054339 /nfs/dbraw/zinc/05/43/39/1023054339.db2.gz BHJPBCYJSPOXAI-UHFFFAOYSA-N 1 2 382.302 3.619 20 30 GHEDLO CN(CC[N@@H+](C)Cc1cc(C#N)ccc1Br)C(=O)OC(C)(C)C ZINC000755062003 1023054359 /nfs/dbraw/zinc/05/43/59/1023054359.db2.gz BHJPBCYJSPOXAI-UHFFFAOYSA-N 1 2 382.302 3.619 20 30 GHEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cc3cc(OC)ccc3nc2Cl)C1 ZINC001141067050 1023416691 /nfs/dbraw/zinc/41/66/91/1023416691.db2.gz PULBUZJZMFVGJW-INIZCTEOSA-N 1 2 389.883 3.773 20 30 GHEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cc3cc(OC)ccc3nc2Cl)C1 ZINC001141067050 1023416699 /nfs/dbraw/zinc/41/66/99/1023416699.db2.gz PULBUZJZMFVGJW-INIZCTEOSA-N 1 2 389.883 3.773 20 30 GHEDLO C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1sc(N)c(C#N)c1Cl ZINC001141113663 1023530718 /nfs/dbraw/zinc/53/07/18/1023530718.db2.gz NUONRPHNZQWFNF-ZYHUDNBSSA-N 1 2 384.933 3.733 20 30 GHEDLO C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1sc(N)c(C#N)c1Cl ZINC001141113663 1023530729 /nfs/dbraw/zinc/53/07/29/1023530729.db2.gz NUONRPHNZQWFNF-ZYHUDNBSSA-N 1 2 384.933 3.733 20 30 GHEDLO C#CCOc1ccc(Br)cc1CN[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000756997120 1023903344 /nfs/dbraw/zinc/90/33/44/1023903344.db2.gz VAKSYPDLDRARLC-IBGZPJMESA-N 1 2 385.305 3.737 20 30 GHEDLO C#CCOc1ccc(Br)cc1CN[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000756997120 1023903351 /nfs/dbraw/zinc/90/33/51/1023903351.db2.gz VAKSYPDLDRARLC-IBGZPJMESA-N 1 2 385.305 3.737 20 30 GHEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC001141164005 1023990528 /nfs/dbraw/zinc/99/05/28/1023990528.db2.gz YPCHWCVZZCHULF-IRLDBZIGSA-N 1 2 381.451 3.542 20 30 GHEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC001141164005 1023990536 /nfs/dbraw/zinc/99/05/36/1023990536.db2.gz YPCHWCVZZCHULF-IRLDBZIGSA-N 1 2 381.451 3.542 20 30 GHEDLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C#N)ccc1F ZINC000830867352 1024202023 /nfs/dbraw/zinc/20/20/23/1024202023.db2.gz ILIJGASTYGRETI-AOMKIAJQSA-N 1 2 394.494 3.774 20 30 GHEDLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C#N)ccc1F ZINC000830867352 1024202038 /nfs/dbraw/zinc/20/20/38/1024202038.db2.gz ILIJGASTYGRETI-AOMKIAJQSA-N 1 2 394.494 3.774 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)ccc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000831193650 1024414322 /nfs/dbraw/zinc/41/43/22/1024414322.db2.gz PHJZNZLCQYGUNU-ZWKOTPCHSA-N 1 2 375.806 3.665 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)c2cc(C#N)ccc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000831193650 1024414335 /nfs/dbraw/zinc/41/43/35/1024414335.db2.gz PHJZNZLCQYGUNU-ZWKOTPCHSA-N 1 2 375.806 3.665 20 30 GHEDLO N#Cc1ccc(Oc2ccc(C[N@@H+]3CC[C@@H](N4CCOCC4)[C@@H](F)C3)cc2)cc1 ZINC001141298528 1024443715 /nfs/dbraw/zinc/44/37/15/1024443715.db2.gz VWIKXKMYTRHDMU-XZOQPEGZSA-N 1 2 395.478 3.595 20 30 GHEDLO N#Cc1ccc(Oc2ccc(C[N@H+]3CC[C@@H](N4CCOCC4)[C@@H](F)C3)cc2)cc1 ZINC001141298528 1024443734 /nfs/dbraw/zinc/44/37/34/1024443734.db2.gz VWIKXKMYTRHDMU-XZOQPEGZSA-N 1 2 395.478 3.595 20 30 GHEDLO C#CCOc1ccc(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)cc1OC ZINC001138345676 1024706670 /nfs/dbraw/zinc/70/66/70/1024706670.db2.gz LWIDGMWEFFOCSD-UHFFFAOYSA-N 1 2 384.907 3.678 20 30 GHEDLO C#CCOc1ccc(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1OC ZINC001138345676 1024706677 /nfs/dbraw/zinc/70/66/77/1024706677.db2.gz LWIDGMWEFFOCSD-UHFFFAOYSA-N 1 2 384.907 3.678 20 30 GHEDLO C#C[C@H](NC(=O)N(CCCn1cc[nH+]c1)Cc1ccc(OCC)cc1)C(C)C ZINC000838596551 1025226364 /nfs/dbraw/zinc/22/63/64/1025226364.db2.gz RXNAWKOIIHUULR-NRFANRHFSA-N 1 2 382.508 3.542 20 30 GHEDLO CN(C[C@H]1CCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000838809687 1025379829 /nfs/dbraw/zinc/37/98/29/1025379829.db2.gz NJTDSPFGNXTOED-OAHLLOKOSA-N 1 2 388.468 3.545 20 30 GHEDLO CN(C[C@H]1CCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000838809687 1025379844 /nfs/dbraw/zinc/37/98/44/1025379844.db2.gz NJTDSPFGNXTOED-OAHLLOKOSA-N 1 2 388.468 3.545 20 30 GHEDLO CCS(=O)(=O)c1ccc(C[NH+]2CCC(Cc3ccc(C#N)cc3)CC2)cc1 ZINC001138815199 1025410685 /nfs/dbraw/zinc/41/06/85/1025410685.db2.gz WKJRAFYXVZXYGD-UHFFFAOYSA-N 1 2 382.529 3.807 20 30 GHEDLO C=CC[NH+]1CCN(C(=O)c2c[nH]c3cc(OCc4ccccc4)ccc23)CC1 ZINC001156849557 1033277059 /nfs/dbraw/zinc/27/70/59/1033277059.db2.gz SITGFIIECGPVQG-UHFFFAOYSA-N 1 2 375.472 3.691 20 30 GHEDLO CC[C@@H]1C[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000838902708 1025428311 /nfs/dbraw/zinc/42/83/11/1025428311.db2.gz ZDGYGPKSCVAHQA-PBHICJAKSA-N 1 2 388.468 3.592 20 30 GHEDLO CC[C@@H]1C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000838902708 1025428317 /nfs/dbraw/zinc/42/83/17/1025428317.db2.gz ZDGYGPKSCVAHQA-PBHICJAKSA-N 1 2 388.468 3.592 20 30 GHEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1cc(Br)cnc1Cl)CC2 ZINC001138942098 1025621333 /nfs/dbraw/zinc/62/13/33/1025621333.db2.gz MCYOMDZZTWOBIY-UHFFFAOYSA-N 1 2 398.732 3.641 20 30 GHEDLO C=CCOc1ccccc1C[N@@H+]1Cc2nn(CC3CC3)cc2[C@@H](COCC)C1 ZINC001139028016 1025795072 /nfs/dbraw/zinc/79/50/72/1025795072.db2.gz IXKSHIHPLAJNOC-HXUWFJFHSA-N 1 2 381.520 3.994 20 30 GHEDLO C=CCOc1ccccc1C[N@H+]1Cc2nn(CC3CC3)cc2[C@@H](COCC)C1 ZINC001139028016 1025795090 /nfs/dbraw/zinc/79/50/90/1025795090.db2.gz IXKSHIHPLAJNOC-HXUWFJFHSA-N 1 2 381.520 3.994 20 30 GHEDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001139131581 1025943690 /nfs/dbraw/zinc/94/36/90/1025943690.db2.gz PBXUZCBLDFTSHZ-QGZVFWFLSA-N 1 2 390.439 3.722 20 30 GHEDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001139131581 1025943695 /nfs/dbraw/zinc/94/36/95/1025943695.db2.gz PBXUZCBLDFTSHZ-QGZVFWFLSA-N 1 2 390.439 3.722 20 30 GHEDLO C#C[C@H](C)Nc1nc(C[NH+]2CCCCC2)nc2sc(C(=O)OCC)c(C)c21 ZINC001163161209 1026071668 /nfs/dbraw/zinc/07/16/68/1026071668.db2.gz UAUDFRISBLBSTO-ZDUSSCGKSA-N 1 2 386.521 3.596 20 30 GHEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000839668972 1026187145 /nfs/dbraw/zinc/18/71/45/1026187145.db2.gz ALVPUCXTCBHKDX-PXNSSMCTSA-N 1 2 386.492 3.606 20 30 GHEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000839668972 1026187152 /nfs/dbraw/zinc/18/71/52/1026187152.db2.gz ALVPUCXTCBHKDX-PXNSSMCTSA-N 1 2 386.492 3.606 20 30 GHEDLO Cc1cccc(N2CC[NH+](Cc3ccc(Oc4ccc(C#N)cc4)nc3)CC2)n1 ZINC001139424336 1026294784 /nfs/dbraw/zinc/29/47/84/1026294784.db2.gz PEYJTUFGBGBNOB-UHFFFAOYSA-N 1 2 385.471 3.771 20 30 GHEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1C[C@@H](c2cccc(C(F)(F)F)c2)CC1=O ZINC000839960893 1026375838 /nfs/dbraw/zinc/37/58/38/1026375838.db2.gz ROWYVUXXCYNRLH-SFHVURJKSA-N 1 2 387.405 3.982 20 30 GHEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1C[C@@H](c2cccc(C(F)(F)F)c2)CC1=O ZINC000839960893 1026375847 /nfs/dbraw/zinc/37/58/47/1026375847.db2.gz ROWYVUXXCYNRLH-SFHVURJKSA-N 1 2 387.405 3.982 20 30 GHEDLO N#Cc1c(Cl)cccc1CN1Cc2c[nH+]cn2C[C@@H](COc2ccccn2)C1 ZINC001139690379 1026542031 /nfs/dbraw/zinc/54/20/31/1026542031.db2.gz AMQIIHJTZYEZJH-INIZCTEOSA-N 1 2 393.878 3.514 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](Cc3c[nH]c4nccc(Br)c34)CC2)cc1 ZINC001139944673 1026750287 /nfs/dbraw/zinc/75/02/87/1026750287.db2.gz KQAWFYXGGBIRDK-UHFFFAOYSA-N 1 2 396.292 3.519 20 30 GHEDLO Cc1cncc(COC[C@@]23CCC[C@@H]2CN(c2[nH+]ccc4[nH]cc(C#N)c42)C3)c1 ZINC001165829869 1026848660 /nfs/dbraw/zinc/84/86/60/1026848660.db2.gz ODHIFYGQWFLCQN-XXBNENTESA-N 1 2 387.487 3.961 20 30 GHEDLO CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2CN1c1[nH+]ccc2ccc(C#N)cc21 ZINC001166868239 1027120721 /nfs/dbraw/zinc/12/07/21/1027120721.db2.gz JGXKSCAZTVSYDC-NRFANRHFSA-N 1 2 384.483 3.952 20 30 GHEDLO C=CCn1c(C)nn(C[N@@H+]2CCC[C@@H](CCC(=O)OC(C)(C)C)C2)c1=S ZINC000840190349 1027331455 /nfs/dbraw/zinc/33/14/55/1027331455.db2.gz UJYQGEOEHGIAGO-INIZCTEOSA-N 1 2 380.558 3.700 20 30 GHEDLO C=CCn1c(C)nn(C[N@H+]2CCC[C@@H](CCC(=O)OC(C)(C)C)C2)c1=S ZINC000840190349 1027331475 /nfs/dbraw/zinc/33/14/75/1027331475.db2.gz UJYQGEOEHGIAGO-INIZCTEOSA-N 1 2 380.558 3.700 20 30 GHEDLO CCOC(=O)C[C@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)C[C@@H]1C ZINC001141818452 1027354533 /nfs/dbraw/zinc/35/45/33/1027354533.db2.gz CZVNTELVCJOLBG-UONOGXRCSA-N 1 2 379.298 3.732 20 30 GHEDLO CCOC(=O)C[C@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)C[C@@H]1C ZINC001141818452 1027354550 /nfs/dbraw/zinc/35/45/50/1027354550.db2.gz CZVNTELVCJOLBG-UONOGXRCSA-N 1 2 379.298 3.732 20 30 GHEDLO C=CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@]2(CC)c1cccc(Nc2cc(C)c[nH+]c2C)c1 ZINC001203669260 1027520200 /nfs/dbraw/zinc/52/02/00/1027520200.db2.gz OTPDZAVLKNBFIW-JHDGKUDLSA-N 1 2 375.472 3.891 20 30 GHEDLO N#Cc1ccc(Br)cc1CN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001141900887 1027623087 /nfs/dbraw/zinc/62/30/87/1027623087.db2.gz KNEZQGANXIJMES-UHFFFAOYSA-N 1 2 388.284 3.778 20 30 GHEDLO CSc1nc(C[N@@H+]2CCCC[C@H](NC(=O)OC(C)(C)C)C2)ccc1C#N ZINC001141931716 1027692027 /nfs/dbraw/zinc/69/20/27/1027692027.db2.gz JMBOGMKDCDSKFJ-HNNXBMFYSA-N 1 2 376.526 3.554 20 30 GHEDLO CSc1nc(C[N@H+]2CCCC[C@H](NC(=O)OC(C)(C)C)C2)ccc1C#N ZINC001141931716 1027692035 /nfs/dbraw/zinc/69/20/35/1027692035.db2.gz JMBOGMKDCDSKFJ-HNNXBMFYSA-N 1 2 376.526 3.554 20 30 GHEDLO NC(=NC(=O)C=Cc1ccc(Cn2cc[nH+]c2)cc1)c1ccc2cc(O)ccc2c1 ZINC001142374857 1028780435 /nfs/dbraw/zinc/78/04/35/1028780435.db2.gz XNKPOAJLIBZUON-BJMVGYQFSA-N 1 2 396.450 3.736 20 30 GHEDLO N#CCc1ccc(OCc2cccc(NC(=O)NCc3ccc[nH+]c3N)c2)cc1 ZINC001214719483 1028881527 /nfs/dbraw/zinc/88/15/27/1028881527.db2.gz PPXLMFGXXYEQFA-UHFFFAOYSA-N 1 2 387.443 3.631 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(Nc3cccc(C#N)c3F)c[nH+]2)C1 ZINC001216414019 1029631249 /nfs/dbraw/zinc/63/12/49/1029631249.db2.gz BTEKSTKXBRHZJI-MRXNPFEDSA-N 1 2 397.454 3.939 20 30 GHEDLO CN(C)/C=[NH+]/c1ccc(-c2ccc(Cl)c(C(=O)N3CCOCC3)c2)cc1C#N ZINC001222293065 1030054146 /nfs/dbraw/zinc/05/41/46/1030054146.db2.gz KXLDCWQBKDSHMB-ZVHZXABRSA-N 1 2 396.878 3.572 20 30 GHEDLO N#Cc1c(NC(=O)c2cccc(-c3ccccc3)c2O)sc2c1CC[NH2+]C2 ZINC001218554370 1030985502 /nfs/dbraw/zinc/98/55/02/1030985502.db2.gz YLDHOKDPZOJGON-UHFFFAOYSA-N 1 2 375.453 3.890 20 30 GHEDLO C#CCOc1ccc(Br)cc1C[NH2+]Cc1c(F)cccc1OC ZINC001461783217 1069744842 /nfs/dbraw/zinc/74/48/42/1069744842.db2.gz RTOKPQWQXLAGTI-UHFFFAOYSA-N 1 2 378.241 3.899 20 30 GHEDLO N#Cc1cc(C[N@H+]2CCC[C@]23CCN(CCC(F)(F)F)C3=O)ccc1Cl ZINC001277084477 1031701982 /nfs/dbraw/zinc/70/19/82/1031701982.db2.gz ZKMDYELXMHXSAO-QGZVFWFLSA-N 1 2 385.817 3.731 20 30 GHEDLO N#Cc1cc(C[N@@H+]2CCC[C@]23CCN(CCC(F)(F)F)C3=O)ccc1Cl ZINC001277084477 1031701996 /nfs/dbraw/zinc/70/19/96/1031701996.db2.gz ZKMDYELXMHXSAO-QGZVFWFLSA-N 1 2 385.817 3.731 20 30 GHEDLO C=C(C)CN1CC2(CCC1=O)CC[NH+](Cc1cc(Cl)cc(F)c1O)CC2 ZINC001277387655 1033484090 /nfs/dbraw/zinc/48/40/90/1033484090.db2.gz NVQPZOWUSIPNGT-UHFFFAOYSA-N 1 2 380.891 3.965 20 30 GHEDLO COC(=O)[C@H]1CC[C@H](Oc2nc(C)c(-c3ccc4[nH+]ccn4c3)cc2C#N)CC1 ZINC001229768161 1033699238 /nfs/dbraw/zinc/69/92/38/1033699238.db2.gz KHSGLFPVVCAQMT-RZDIXWSQSA-N 1 2 390.443 3.687 20 30 GHEDLO C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2nc(=O)[nH]c(CN3CCCC3=[NH2+])c2Cl)O1 ZINC001230091754 1033893355 /nfs/dbraw/zinc/89/33/55/1033893355.db2.gz MPHNAXGKQFPYRZ-DJJJIMSYSA-N 1 2 394.903 3.690 20 30 GHEDLO Cc1ccc([C@@H](C#N)c2ccc(N3CC[C@H]([NH+]4CCCC4)C(F)(F)C3)nn2)cc1 ZINC001158625955 1034208799 /nfs/dbraw/zinc/20/87/99/1034208799.db2.gz XFHKIWSXZYBTGP-QUCCMNQESA-N 1 2 397.473 3.750 20 30 GHEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1ccc(O)c(C(F)(F)F)c1)CCO2 ZINC001231525054 1034677409 /nfs/dbraw/zinc/67/74/09/1034677409.db2.gz TWDCNEOVSATJTM-VQIMIIECSA-N 1 2 385.426 3.985 20 30 GHEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1ccc(O)c(C(F)(F)F)c1)CCO2 ZINC001231525054 1034677414 /nfs/dbraw/zinc/67/74/14/1034677414.db2.gz TWDCNEOVSATJTM-VQIMIIECSA-N 1 2 385.426 3.985 20 30 GHEDLO C#Cc1ccc(S(=O)(=O)NC[C@H](c2ccccc2Cl)[NH+](CC)CC)cc1 ZINC001208031833 1034710708 /nfs/dbraw/zinc/71/07/08/1034710708.db2.gz MISDKBFLECYTFJ-HXUWFJFHSA-N 1 2 390.936 3.683 20 30 GHEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2ccc(OCC)c(Br)c2)C1=O ZINC001277541767 1034762590 /nfs/dbraw/zinc/76/25/90/1034762590.db2.gz YZLWWTNZEPPRQR-LJQANCHMSA-N 1 2 393.325 3.601 20 30 GHEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(OCC)c(Br)c2)C1=O ZINC001277541767 1034762601 /nfs/dbraw/zinc/76/26/01/1034762601.db2.gz YZLWWTNZEPPRQR-LJQANCHMSA-N 1 2 393.325 3.601 20 30 GHEDLO CCOC(=O)[C@@H]1c2ccc(OC)cc2CC[N@H+]1CCCc1cccc(C#N)c1 ZINC001208860405 1035063736 /nfs/dbraw/zinc/06/37/36/1035063736.db2.gz LOAZVPGRPFBWPR-QFIPXVFZSA-N 1 2 378.472 3.662 20 30 GHEDLO CCOC(=O)[C@@H]1c2ccc(OC)cc2CC[N@@H+]1CCCc1cccc(C#N)c1 ZINC001208860405 1035063744 /nfs/dbraw/zinc/06/37/44/1035063744.db2.gz LOAZVPGRPFBWPR-QFIPXVFZSA-N 1 2 378.472 3.662 20 30 GHEDLO Cc1ccccc1-n1cc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)cn1 ZINC001461959031 1069915317 /nfs/dbraw/zinc/91/53/17/1069915317.db2.gz XVNUAEWNSIKYPO-UHFFFAOYSA-N 1 2 375.451 3.514 20 30 GHEDLO CC(C)(C)OC(=O)NC1CCN(c2[nH+]cccc2Nc2ccc(C#N)nc2)CC1 ZINC001209544053 1035309842 /nfs/dbraw/zinc/30/98/42/1035309842.db2.gz FAHNWMLJEOQNEU-UHFFFAOYSA-N 1 2 394.479 3.585 20 30 GHEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(Cl)c(Br)c1 ZINC001276658104 1035331740 /nfs/dbraw/zinc/33/17/40/1035331740.db2.gz XNVPXRGQHBIIFR-SFHVURJKSA-N 1 2 395.728 3.693 20 30 GHEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(Cl)c(Br)c1 ZINC001276658104 1035331753 /nfs/dbraw/zinc/33/17/53/1035331753.db2.gz XNVPXRGQHBIIFR-SFHVURJKSA-N 1 2 395.728 3.693 20 30 GHEDLO COC(=O)C1(C#N)CC[NH+](Cc2cccc(C)c2OCc2ccccc2)CC1 ZINC001232401092 1038185911 /nfs/dbraw/zinc/18/59/11/1038185911.db2.gz FMWWVEAKIXTWPW-UHFFFAOYSA-N 1 2 378.472 3.853 20 30 GHEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC2(CN(c3cccc(F)c3)C2=O)CC1 ZINC001232607263 1038389972 /nfs/dbraw/zinc/38/99/72/1038389972.db2.gz JPAOCWOBJSELSM-UHFFFAOYSA-N 1 2 383.854 3.980 20 30 GHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3ncoc3[C@H]3CCCO3)n2)C1 ZINC000329462020 1039104141 /nfs/dbraw/zinc/10/41/41/1039104141.db2.gz PYCGQSAACDPONA-GXTWGEPZSA-N 1 2 376.482 3.851 20 30 GHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ncoc3[C@H]3CCCO3)n2)C1 ZINC000329462020 1039104150 /nfs/dbraw/zinc/10/41/50/1039104150.db2.gz PYCGQSAACDPONA-GXTWGEPZSA-N 1 2 376.482 3.851 20 30 GHEDLO COC(=O)Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)c(Cl)c1 ZINC001233960537 1039728813 /nfs/dbraw/zinc/72/88/13/1039728813.db2.gz GJNSGCIMUPCKII-GOSISDBHSA-N 1 2 384.863 3.580 20 30 GHEDLO COC(=O)Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c(Cl)c1 ZINC001233960537 1039728833 /nfs/dbraw/zinc/72/88/33/1039728833.db2.gz GJNSGCIMUPCKII-GOSISDBHSA-N 1 2 384.863 3.580 20 30 GHEDLO N#CCCCN1CC[C@@]2(CCC[N@H+]2Cc2cc(Cl)c(Cl)cc2O)C1=O ZINC001277829553 1039806132 /nfs/dbraw/zinc/80/61/32/1039806132.db2.gz GIRHDFIMSOCORV-SFHVURJKSA-N 1 2 382.291 3.570 20 30 GHEDLO N#CCCCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(Cl)c(Cl)cc2O)C1=O ZINC001277829553 1039806142 /nfs/dbraw/zinc/80/61/42/1039806142.db2.gz GIRHDFIMSOCORV-SFHVURJKSA-N 1 2 382.291 3.570 20 30 GHEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3c(F)cc(Br)cc3C(F)(F)F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234199124 1039917711 /nfs/dbraw/zinc/91/77/11/1039917711.db2.gz RQIIVEURTOVTKE-PEUDNIOHSA-N 1 2 396.178 3.598 20 30 GHEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3c(F)cc(Br)cc3C(F)(F)F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234199124 1039917720 /nfs/dbraw/zinc/91/77/20/1039917720.db2.gz RQIIVEURTOVTKE-PEUDNIOHSA-N 1 2 396.178 3.598 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(Br)c(C)n1 ZINC001277840531 1039930377 /nfs/dbraw/zinc/93/03/77/1039930377.db2.gz HLHCSVPSQHSWIG-LJQANCHMSA-N 1 2 392.341 3.686 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(Br)c(C)n1 ZINC001277840531 1039930380 /nfs/dbraw/zinc/93/03/80/1039930380.db2.gz HLHCSVPSQHSWIG-LJQANCHMSA-N 1 2 392.341 3.686 20 30 GHEDLO COc1cc(C#N)ccc1OC1CC[NH+](Cc2ccnc(OC)c2Cl)CC1 ZINC001235839306 1041365242 /nfs/dbraw/zinc/36/52/42/1041365242.db2.gz JYEMGJSDPWFEIJ-UHFFFAOYSA-N 1 2 387.867 3.667 20 30 GHEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1ccc3nccc(Cl)c3c1)CC2 ZINC001237266958 1042114231 /nfs/dbraw/zinc/11/42/31/1042114231.db2.gz FFVNFJRCJULCPA-UHFFFAOYSA-N 1 2 382.895 3.883 20 30 GHEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1ccc3nccc(Cl)c3c1)CC2 ZINC001237266958 1042114233 /nfs/dbraw/zinc/11/42/33/1042114233.db2.gz FFVNFJRCJULCPA-UHFFFAOYSA-N 1 2 382.895 3.883 20 30 GHEDLO COC(=O)c1ccc(C[NH+](Cc2ccc(C#N)cc2)Cc2ccc(C#N)cc2)cn1 ZINC001237441737 1042209468 /nfs/dbraw/zinc/20/94/68/1042209468.db2.gz PICUYIAORRJYIJ-UHFFFAOYSA-N 1 2 396.450 3.814 20 30 GHEDLO N#Cc1cc(C[NH+]2CCC(N3C(=O)OC[C@H]3c3ccccc3)CC2)c(F)cc1F ZINC001237524567 1042250709 /nfs/dbraw/zinc/25/07/09/1042250709.db2.gz KGOSANXVYGXRBK-NRFANRHFSA-N 1 2 397.425 3.994 20 30 GHEDLO CC(C)(C)OC(=O)N(C1CC1)[C@H]1CCC[N@H+](Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237618441 1042285068 /nfs/dbraw/zinc/28/50/68/1042285068.db2.gz QPAPBEHPAACDQS-IBGZPJMESA-N 1 2 395.507 3.570 20 30 GHEDLO CC(C)(C)OC(=O)N(C1CC1)[C@H]1CCC[N@@H+](Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237618441 1042285078 /nfs/dbraw/zinc/28/50/78/1042285078.db2.gz QPAPBEHPAACDQS-IBGZPJMESA-N 1 2 395.507 3.570 20 30 GHEDLO N#Cc1cccc(N2CC[NH+](Cc3cncc(OCc4ccccc4)c3)CC2)c1 ZINC001238371763 1042573843 /nfs/dbraw/zinc/57/38/43/1042573843.db2.gz OBZQGXJDYDKTQQ-UHFFFAOYSA-N 1 2 384.483 3.854 20 30 GHEDLO COC(=O)[C@H](Cc1ccc(C#N)cc1)[NH2+]C1CCN(c2ccccc2Cl)CC1 ZINC001258541793 1044616511 /nfs/dbraw/zinc/61/65/11/1044616511.db2.gz YYXRHVRUKWTEKP-FQEVSTJZSA-N 1 2 397.906 3.554 20 30 GHEDLO N#Cc1ccc(S(=O)(=O)Nc2ccccc2C[NH+]2CCCC2)c(Cl)c1 ZINC001259112456 1044966767 /nfs/dbraw/zinc/96/67/67/1044966767.db2.gz KVDFGKAXGOYCAP-UHFFFAOYSA-N 1 2 375.881 3.608 20 30 GHEDLO C[C@]1(C#N)CCCN(C(=O)[C@H](c2cccc(Br)c2)[NH+]2CCCC2)C1 ZINC001295474587 1045029809 /nfs/dbraw/zinc/02/98/09/1045029809.db2.gz DRFQGHRKIJPDBL-PKOBYXMFSA-N 1 2 390.325 3.738 20 30 GHEDLO C=C1CCN(c2nnc(-c3ccccc3F)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001301074681 1046321435 /nfs/dbraw/zinc/32/14/35/1046321435.db2.gz GNUJIUXCKFVULQ-UHFFFAOYSA-N 1 2 392.482 3.750 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N(C)Cc1csc(CC)n1 ZINC001262980080 1046464765 /nfs/dbraw/zinc/46/47/65/1046464765.db2.gz DISHHNDAJJSSRQ-QGZVFWFLSA-N 1 2 399.568 3.951 20 30 GHEDLO CCn1c(-c2ccc(C)c(C#N)c2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001263039612 1046527335 /nfs/dbraw/zinc/52/73/35/1046527335.db2.gz GKLGUCGBHIKXTR-UHFFFAOYSA-N 1 2 387.491 3.621 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1C[C@@H](C)OC2(CCC2)C1 ZINC001263304656 1046702025 /nfs/dbraw/zinc/70/20/25/1046702025.db2.gz HOJIQBJHDFZAFP-RTBURBONSA-N 1 2 398.555 3.834 20 30 GHEDLO N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCc3cc[nH+]c(N)c3C2)cc1 ZINC001302092161 1046810680 /nfs/dbraw/zinc/81/06/80/1046810680.db2.gz HCYSCBPZFVCQEI-UHFFFAOYSA-N 1 2 388.402 3.665 20 30 GHEDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1 ZINC001304192933 1047609453 /nfs/dbraw/zinc/60/94/53/1047609453.db2.gz KQGJFEPKUNDFSX-HSZRJFAPSA-N 1 2 389.499 3.547 20 30 GHEDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1 ZINC001304192933 1047609457 /nfs/dbraw/zinc/60/94/57/1047609457.db2.gz KQGJFEPKUNDFSX-HSZRJFAPSA-N 1 2 389.499 3.547 20 30 GHEDLO C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2F)n1CCCc1cccc(C)[nH+]1 ZINC001286297687 1048261604 /nfs/dbraw/zinc/26/16/04/1048261604.db2.gz YLERSDDZAVTQGC-GOSISDBHSA-N 1 2 391.494 3.802 20 30 GHEDLO C=C(C)CN(CC)c1nnc(CC)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001286581380 1048375433 /nfs/dbraw/zinc/37/54/33/1048375433.db2.gz PDBIBRCMXCKOPY-UHFFFAOYSA-N 1 2 382.556 3.923 20 30 GHEDLO C=CC[C@H](Cn1c(C(C)C)nnc1N(C)CC[NH+]1CCOCC1)c1ccccc1 ZINC001286677444 1048439178 /nfs/dbraw/zinc/43/91/78/1048439178.db2.gz BFRWZDQPBJMTGY-OAQYLSRUSA-N 1 2 397.567 3.530 20 30 GHEDLO C=CCN(Cc1ccccc1)c1nnc(CC)n1CCc1cn2ccccc2[nH+]1 ZINC001286745123 1048502840 /nfs/dbraw/zinc/50/28/40/1048502840.db2.gz BSLPMJBPYYLVKW-UHFFFAOYSA-N 1 2 386.503 3.924 20 30 GHEDLO CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(Cc2ccncc2C#N)CC1 ZINC001307462448 1049298417 /nfs/dbraw/zinc/29/84/17/1049298417.db2.gz FKMSEIMZVAXXAU-HXUWFJFHSA-N 1 2 399.336 3.985 20 30 GHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1=S ZINC001333606281 1051784439 /nfs/dbraw/zinc/78/44/39/1051784439.db2.gz QCGVLOQKUSFIGA-MOPGFXCFSA-N 1 2 384.549 3.649 20 30 GHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1=S ZINC001333606281 1051784448 /nfs/dbraw/zinc/78/44/48/1051784448.db2.gz QCGVLOQKUSFIGA-MOPGFXCFSA-N 1 2 384.549 3.649 20 30 GHEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cncc(-c3cc(F)ccc3OC)c2)n1 ZINC001334227551 1051920418 /nfs/dbraw/zinc/92/04/18/1051920418.db2.gz QUUSEOLWMQUJOV-UHFFFAOYSA-N 1 2 378.451 3.748 20 30 GHEDLO C#CCn1ccc(C[N@H+](CC)Cc2cncc(-c3cc(F)ccc3OC)c2)n1 ZINC001334227551 1051920424 /nfs/dbraw/zinc/92/04/24/1051920424.db2.gz QUUSEOLWMQUJOV-UHFFFAOYSA-N 1 2 378.451 3.748 20 30 GHEDLO C=CC[C@H]1CCCC[C@@H]1NC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001313004165 1052931427 /nfs/dbraw/zinc/93/14/27/1052931427.db2.gz FEPPCEPOUAAEEP-OALUTQOASA-N 1 2 385.556 3.875 20 30 GHEDLO C=C(C)Cn1c(C2SC=CC2=O)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001342529647 1053219796 /nfs/dbraw/zinc/21/97/96/1053219796.db2.gz UCHPUGQGLULKII-UHFFFAOYSA-N 1 2 396.520 3.764 20 30 GHEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@H](CCF)C1 ZINC001342672631 1053291847 /nfs/dbraw/zinc/29/18/47/1053291847.db2.gz IFSSBIOWDQJXGP-GOSISDBHSA-N 1 2 388.535 3.523 20 30 GHEDLO CC(C)Cn1c([C@H]2C[C@@H]2C#N)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001342888593 1053412159 /nfs/dbraw/zinc/41/21/59/1053412159.db2.gz DOONXSDFYQAPMY-MJGOQNOKSA-N 1 2 398.942 3.537 20 30 GHEDLO C=C(C)Cn1c([C@@H](O)C2CCCC2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001343814856 1054044180 /nfs/dbraw/zinc/04/41/80/1054044180.db2.gz WSMJFGAWCDXRHH-FQEVSTJZSA-N 1 2 396.539 3.554 20 30 GHEDLO C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCC[N@H+]2C)n1C[C@@H]1CCOC1 ZINC001345330960 1054991584 /nfs/dbraw/zinc/99/15/84/1054991584.db2.gz LCFIGLDJWXDHRR-LEWJYISDSA-N 1 2 395.551 3.664 20 30 GHEDLO C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCC[N@@H+]2C)n1C[C@@H]1CCOC1 ZINC001345330960 1054991588 /nfs/dbraw/zinc/99/15/88/1054991588.db2.gz LCFIGLDJWXDHRR-LEWJYISDSA-N 1 2 395.551 3.664 20 30 GHEDLO N#Cc1ccc(N2CCC[C@H]([NH+]3CCC(C(=O)c4cccs4)CC3)C2=O)cc1 ZINC001319902387 1055531747 /nfs/dbraw/zinc/53/17/47/1055531747.db2.gz MCIHJDKFIPUTQR-IBGZPJMESA-N 1 2 393.512 3.710 20 30 GHEDLO C=CCn1cnn(CN2CC[NH+]([C@@H](CC)c3ccc(F)cc3F)CC2)c1=S ZINC001322074759 1056504713 /nfs/dbraw/zinc/50/47/13/1056504713.db2.gz HEBUNLCNDCOHLH-SFHVURJKSA-N 1 2 393.507 3.605 20 30 GHEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC[C@H]1c1cccs1 ZINC001355886408 1057305300 /nfs/dbraw/zinc/30/53/00/1057305300.db2.gz GIXOKUWHLQFYDT-IRXDYDNUSA-N 1 2 387.553 3.649 20 30 GHEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC[C@H]1c1cccs1 ZINC001355886408 1057305307 /nfs/dbraw/zinc/30/53/07/1057305307.db2.gz GIXOKUWHLQFYDT-IRXDYDNUSA-N 1 2 387.553 3.649 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCO[C@@H](c2ccccc2C)C1 ZINC001355930693 1057320883 /nfs/dbraw/zinc/32/08/83/1057320883.db2.gz ZJLNQRFUHGUBEO-WOJBJXKFSA-N 1 2 381.524 3.507 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCO[C@@H](c2ccccc2C)C1 ZINC001355930693 1057320886 /nfs/dbraw/zinc/32/08/86/1057320886.db2.gz ZJLNQRFUHGUBEO-WOJBJXKFSA-N 1 2 381.524 3.507 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC2(C[C@H]1C)CCOCC2 ZINC001356094236 1057387096 /nfs/dbraw/zinc/38/70/96/1057387096.db2.gz IDRSRGWMYKGUSY-RTBURBONSA-N 1 2 398.555 3.692 20 30 GHEDLO Cc1cccc([C@H]2CCCN2c2nnc(C3CC[NH+](CCC#N)CC3)n2C)c1 ZINC001338923216 1058885020 /nfs/dbraw/zinc/88/50/20/1058885020.db2.gz DYVMDVNHLMAYBR-HXUWFJFHSA-N 1 2 378.524 3.558 20 30 GHEDLO C=CCn1c(Nc2cnn(C3CCCC3)c2)nnc1C1CC[NH+](CCC#N)CC1 ZINC001338995693 1058918656 /nfs/dbraw/zinc/91/86/56/1058918656.db2.gz RXRREYURZGBUIE-UHFFFAOYSA-N 1 2 394.527 3.612 20 30 GHEDLO C=CCn1c([C@H]2C[C@@H]2OC(C)(C)C)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001339139689 1058978429 /nfs/dbraw/zinc/97/84/29/1058978429.db2.gz IYRQJLXUGSZHST-ROUUACIJSA-N 1 2 396.539 3.611 20 30 GHEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N(C)[C@@H](C)c1cccs1 ZINC001339484400 1059247498 /nfs/dbraw/zinc/24/74/98/1059247498.db2.gz GALWEGBEDJDUBY-JKSUJKDBSA-N 1 2 375.542 3.505 20 30 GHEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N(C)[C@@H](C)c1cccs1 ZINC001339484400 1059247514 /nfs/dbraw/zinc/24/75/14/1059247514.db2.gz GALWEGBEDJDUBY-JKSUJKDBSA-N 1 2 375.542 3.505 20 30 GHEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC001339566460 1059305674 /nfs/dbraw/zinc/30/56/74/1059305674.db2.gz GFLXMODNKSKXFC-SFHVURJKSA-N 1 2 397.571 3.681 20 30 GHEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@H](c2cc(C(C)C)n[nH]2)C1 ZINC001339566460 1059305689 /nfs/dbraw/zinc/30/56/89/1059305689.db2.gz GFLXMODNKSKXFC-SFHVURJKSA-N 1 2 397.571 3.681 20 30 GHEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1Cc2ccccc2[C@@H]1CC ZINC001342018209 1060997724 /nfs/dbraw/zinc/99/77/24/1060997724.db2.gz BJTJPNCVJVKZDC-VQTJNVASSA-N 1 2 381.524 3.717 20 30 GHEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1Cc2ccccc2[C@@H]1CC ZINC001342018209 1060997727 /nfs/dbraw/zinc/99/77/27/1060997727.db2.gz BJTJPNCVJVKZDC-VQTJNVASSA-N 1 2 381.524 3.717 20 30 GHEDLO N#Cc1ccc(C2(C(=O)N3CC[NH+](Cc4ccsc4)CC3)CCCC2)cc1 ZINC001348980543 1063468196 /nfs/dbraw/zinc/46/81/96/1063468196.db2.gz XCZLXYNLIDDCOJ-UHFFFAOYSA-N 1 2 379.529 3.776 20 30 GHEDLO C=CCC[C@H](C(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001438557107 1064069003 /nfs/dbraw/zinc/06/90/03/1064069003.db2.gz QBGONAULTKEBMB-FQEVSTJZSA-N 1 2 386.536 3.659 20 30 GHEDLO CCOc1ccc2c(c1)C[N@H+]([C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)CC2 ZINC001459364020 1064076660 /nfs/dbraw/zinc/07/66/60/1064076660.db2.gz JPELIVSMELBTSJ-OTQYULQBSA-N 1 2 383.536 3.763 20 30 GHEDLO CCOc1ccc2c(c1)C[N@@H+]([C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)CC2 ZINC001459364020 1064076669 /nfs/dbraw/zinc/07/66/69/1064076669.db2.gz JPELIVSMELBTSJ-OTQYULQBSA-N 1 2 383.536 3.763 20 30 GHEDLO COC(=O)c1cc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)ccc1C ZINC001460046492 1064372334 /nfs/dbraw/zinc/37/23/34/1064372334.db2.gz NJEFOGPSVSNXHQ-NRFANRHFSA-N 1 2 397.906 3.818 20 30 GHEDLO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1Br ZINC001460063137 1064389288 /nfs/dbraw/zinc/38/92/88/1064389288.db2.gz RPGMIAYIINHYAJ-INIZCTEOSA-N 1 2 394.313 3.764 20 30 GHEDLO CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1Br ZINC001460063137 1064389295 /nfs/dbraw/zinc/38/92/95/1064389295.db2.gz RPGMIAYIINHYAJ-INIZCTEOSA-N 1 2 394.313 3.764 20 30 GHEDLO Cc1csc(NC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c1C#N ZINC000847184851 1064842453 /nfs/dbraw/zinc/84/24/53/1064842453.db2.gz JIVQBOTYWZZBCI-UHFFFAOYSA-N 1 2 383.521 3.785 20 30 GHEDLO CCOC(=O)[C@H](Cc1ccccc1Cl)[NH2+]CCCC1(C#N)CCOCC1 ZINC001352915268 1065450840 /nfs/dbraw/zinc/45/08/40/1065450840.db2.gz AKQSRJOIRBKYCN-SFHVURJKSA-N 1 2 378.900 3.504 20 30 GHEDLO C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2C)n1CCCNc1cccc[nH+]1 ZINC001300314514 1065975283 /nfs/dbraw/zinc/97/52/83/1065975283.db2.gz XZIIEEINEFJPQQ-LJQANCHMSA-N 1 2 388.519 3.532 20 30 GHEDLO C#C[C@]1(C)CCCN1c1nnc(CC(C)C)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001359071078 1067671602 /nfs/dbraw/zinc/67/16/02/1067671602.db2.gz CBPWODMTNXPBDP-XMSQKQJNSA-N 1 2 380.540 3.551 20 30 GHEDLO C=CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(N(CC)CC)[nH+]c1)C1CC1 ZINC001359249428 1067897585 /nfs/dbraw/zinc/89/75/85/1067897585.db2.gz ARWCWEVZLLVTSO-UHFFFAOYSA-N 1 2 391.523 3.718 20 30 GHEDLO Cc1cc(CCNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1Cl ZINC001470330985 1068684644 /nfs/dbraw/zinc/68/46/44/1068684644.db2.gz BOMZPWVIXWBAKI-UHFFFAOYSA-N 1 2 396.922 3.590 20 30 GHEDLO Cc1sc(NC(=O)C[N@H+]2C[C@H](C(=O)OC(C)(C)C)CC[C@H]2C)c(C#N)c1C ZINC001460269234 1068896687 /nfs/dbraw/zinc/89/66/87/1068896687.db2.gz JYTUMNSDJVHMHK-IUODEOHRSA-N 1 2 391.537 3.617 20 30 GHEDLO Cc1sc(NC(=O)C[N@@H+]2C[C@H](C(=O)OC(C)(C)C)CC[C@H]2C)c(C#N)c1C ZINC001460269234 1068896698 /nfs/dbraw/zinc/89/66/98/1068896698.db2.gz JYTUMNSDJVHMHK-IUODEOHRSA-N 1 2 391.537 3.617 20 30 GHEDLO C=CCC[C@@H](O)C[N@@H+]1CCc2cc(Br)c(Br)cc2C1 ZINC001460509597 1068982369 /nfs/dbraw/zinc/98/23/69/1068982369.db2.gz NZKILRFBCPJBLJ-CYBMUJFWSA-N 1 2 389.131 3.897 20 30 GHEDLO C=CCC[C@@H](O)C[N@H+]1CCc2cc(Br)c(Br)cc2C1 ZINC001460509597 1068982372 /nfs/dbraw/zinc/98/23/72/1068982372.db2.gz NZKILRFBCPJBLJ-CYBMUJFWSA-N 1 2 389.131 3.897 20 30 GHEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH+]2CCC(C)(F)CC2)c1C#N ZINC001460552648 1068993955 /nfs/dbraw/zinc/99/39/55/1068993955.db2.gz FLUZHPAFAFSTLS-UHFFFAOYSA-N 1 2 386.446 3.867 20 30 GHEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC001473188517 1073841823 /nfs/dbraw/zinc/84/18/23/1073841823.db2.gz BASGCOUWOYRGPZ-INIZCTEOSA-N 1 2 382.895 3.529 20 30 GHEDLO C#C[C@@H]1CCC[N@@H+](CC(=O)N(Cc2ccccc2)c2nc3c(s2)CCCC3)C1 ZINC001473588134 1074033873 /nfs/dbraw/zinc/03/38/73/1074033873.db2.gz UIPNDPNXXIQSID-GOSISDBHSA-N 1 2 393.556 3.900 20 30 GHEDLO C#C[C@@H]1CCC[N@H+](CC(=O)N(Cc2ccccc2)c2nc3c(s2)CCCC3)C1 ZINC001473588134 1074033881 /nfs/dbraw/zinc/03/38/81/1074033881.db2.gz UIPNDPNXXIQSID-GOSISDBHSA-N 1 2 393.556 3.900 20 30 GHEDLO C#CCC[N@@H+](CCOC)CC(=O)Nc1nc(-c2cc(C)c(C)cc2C)cs1 ZINC001473669417 1074076189 /nfs/dbraw/zinc/07/61/89/1074076189.db2.gz KWRXAWPHCCALAY-UHFFFAOYSA-N 1 2 385.533 3.646 20 30 GHEDLO C#CCC[N@H+](CCOC)CC(=O)Nc1nc(-c2cc(C)c(C)cc2C)cs1 ZINC001473669417 1074076198 /nfs/dbraw/zinc/07/61/98/1074076198.db2.gz KWRXAWPHCCALAY-UHFFFAOYSA-N 1 2 385.533 3.646 20 30 GHEDLO Cc1cc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)ccc1C(F)(F)F ZINC001474424763 1074400391 /nfs/dbraw/zinc/40/03/91/1074400391.db2.gz PORCFBAKCLBQCZ-GDBMZVCRSA-N 1 2 383.414 3.863 20 30 GHEDLO C=CC[N@@H+](Cc1ncc(-c2cccc(F)c2)o1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000819745924 606158942 /nfs/dbraw/zinc/15/89/42/606158942.db2.gz VDLCZAKJPQOJJE-UHFFFAOYSA-N 1 2 390.422 3.849 20 30 GHEDLO C=CC[N@H+](Cc1ncc(-c2cccc(F)c2)o1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000819745924 606158943 /nfs/dbraw/zinc/15/89/43/606158943.db2.gz VDLCZAKJPQOJJE-UHFFFAOYSA-N 1 2 390.422 3.849 20 30 GHEDLO Cc1cnn([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)C2)c1 ZINC000580604706 837385665 /nfs/dbraw/zinc/38/56/65/837385665.db2.gz QSFRZDNDUQTQHB-CVEARBPZSA-N 1 2 397.548 3.668 20 30 GHEDLO Cc1cnn([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)C2)c1 ZINC000580604706 837385676 /nfs/dbraw/zinc/38/56/76/837385676.db2.gz QSFRZDNDUQTQHB-CVEARBPZSA-N 1 2 397.548 3.668 20 30 GHEDLO N#Cc1csc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)c1 ZINC000176825689 837550146 /nfs/dbraw/zinc/55/01/46/837550146.db2.gz FCNYDDIIVNXRKF-UHFFFAOYSA-N 1 2 380.498 3.887 20 30 GHEDLO N#Cc1csc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)c1 ZINC000176825689 837550149 /nfs/dbraw/zinc/55/01/49/837550149.db2.gz FCNYDDIIVNXRKF-UHFFFAOYSA-N 1 2 380.498 3.887 20 30 GHEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Br)c(C)c1 ZINC000430239173 835330612 /nfs/dbraw/zinc/33/06/12/835330612.db2.gz JQZUNSWJRCURSL-QGZVFWFLSA-N 1 2 378.314 3.657 20 30 GHEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1c1ccc(Br)c(C)c1 ZINC000430239173 835330617 /nfs/dbraw/zinc/33/06/17/835330617.db2.gz JQZUNSWJRCURSL-QGZVFWFLSA-N 1 2 378.314 3.657 20 30 GHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)N1CCc2sccc2C1 ZINC000512527754 844069102 /nfs/dbraw/zinc/06/91/02/844069102.db2.gz XGXVOTWIWKMGAL-QGZVFWFLSA-N 1 2 386.565 3.877 20 30 GHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)N1CCc2sccc2C1 ZINC000512527754 844069108 /nfs/dbraw/zinc/06/91/08/844069108.db2.gz XGXVOTWIWKMGAL-QGZVFWFLSA-N 1 2 386.565 3.877 20 30 GHEDLO C#CCOc1cc(F)ccc1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278647546 835693118 /nfs/dbraw/zinc/69/31/18/835693118.db2.gz DUANKUWHGXIKGC-UHFFFAOYSA-N 1 2 396.466 3.782 20 30 GHEDLO N#Cc1ccc(N2CCC([NH2+]Cc3cccc(Br)c3O)CC2)cc1 ZINC000725850036 836323786 /nfs/dbraw/zinc/32/37/86/836323786.db2.gz GARUJSUFTAGVSP-UHFFFAOYSA-N 1 2 386.293 3.785 20 30 GHEDLO Cc1cc(C[NH+]2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)ccc1C#N ZINC000580026042 837204231 /nfs/dbraw/zinc/20/42/31/837204231.db2.gz GAQGPZUHVIGXGA-UHFFFAOYSA-N 1 2 387.405 3.844 20 30 GHEDLO O=C(NCCc1cn2c([nH+]1)CCCC2)Nc1ccccc1C#Cc1ccccc1 ZINC000472845059 837837244 /nfs/dbraw/zinc/83/72/44/837837244.db2.gz GQBODYZLOLOMHD-UHFFFAOYSA-N 1 2 384.483 3.983 20 30 GHEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3cccc(C#N)c3C)CC2)c1 ZINC000178566279 838404672 /nfs/dbraw/zinc/40/46/72/838404672.db2.gz MMHCBLIFRBOGRK-KRWDZBQOSA-N 1 2 378.476 3.786 20 30 GHEDLO C=CCCCC(=O)N(CCCn1cc[nH+]c1)c1ccc(Br)cn1 ZINC000416026563 838416762 /nfs/dbraw/zinc/41/67/62/838416762.db2.gz IAQWKKLUGFSBQP-UHFFFAOYSA-N 1 2 377.286 3.820 20 30 GHEDLO CCc1ccc(C[NH+]2CCN(C(=O)N[C@@H](C)c3cccc(C#N)c3)CC2)s1 ZINC000610358160 838664861 /nfs/dbraw/zinc/66/48/61/838664861.db2.gz ZPVDWQWRLQTZOU-INIZCTEOSA-N 1 2 382.533 3.771 20 30 GHEDLO C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000053175763 839055205 /nfs/dbraw/zinc/05/52/05/839055205.db2.gz ZOSWOFBRZXGOSR-UTKZUKDTSA-N 1 2 377.488 3.552 20 30 GHEDLO COc1ccc2ccccc2c1-c1cc(CO[NH+]=C(N)Cc2cccnc2)on1 ZINC000183194595 839245382 /nfs/dbraw/zinc/24/53/82/839245382.db2.gz JGFDHWPMGUGANH-UHFFFAOYSA-N 1 2 388.427 3.930 20 30 GHEDLO C=CCOCCSc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC000580333207 839297568 /nfs/dbraw/zinc/29/75/68/839297568.db2.gz HPKGBKLQRQVECC-UHFFFAOYSA-N 1 2 378.929 3.811 20 30 GHEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000610461877 840188713 /nfs/dbraw/zinc/18/87/13/840188713.db2.gz NHPVIMAMYBTIET-UHFFFAOYSA-N 1 2 375.476 3.679 20 30 GHEDLO O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329293529 861256411 /nfs/dbraw/zinc/25/64/11/861256411.db2.gz ROYHOPDZGHLLHZ-AWEZNQCLSA-N 1 2 391.878 3.575 20 30 GHEDLO O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329293529 861256427 /nfs/dbraw/zinc/25/64/27/861256427.db2.gz ROYHOPDZGHLLHZ-AWEZNQCLSA-N 1 2 391.878 3.575 20 30 GHEDLO C[N@@H+](Cc1c(Cl)cccc1Cl)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000604501439 842045762 /nfs/dbraw/zinc/04/57/62/842045762.db2.gz UDSMIVKWOHKMTL-HNNXBMFYSA-N 1 2 379.287 3.931 20 30 GHEDLO C[N@H+](Cc1c(Cl)cccc1Cl)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000604501439 842045768 /nfs/dbraw/zinc/04/57/68/842045768.db2.gz UDSMIVKWOHKMTL-HNNXBMFYSA-N 1 2 379.287 3.931 20 30 GHEDLO CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000796712569 842176978 /nfs/dbraw/zinc/17/69/78/842176978.db2.gz XVFAMVCBIWJSKH-MRXNPFEDSA-N 1 2 394.313 3.810 20 30 GHEDLO CC(C)NC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1Br ZINC000796712569 842176985 /nfs/dbraw/zinc/17/69/85/842176985.db2.gz XVFAMVCBIWJSKH-MRXNPFEDSA-N 1 2 394.313 3.810 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](CC)c1nnc2n1CCCCC2 ZINC000661936133 842363091 /nfs/dbraw/zinc/36/30/91/842363091.db2.gz CLPHURLHWNJQIF-INIZCTEOSA-N 1 2 399.564 3.962 20 30 GHEDLO Cc1nsc(N2CC[NH+](Cc3cnc(-c4ccccc4)s3)CC2)c1C#N ZINC000571128728 842683697 /nfs/dbraw/zinc/68/36/97/842683697.db2.gz NCRKGIJECJWTRZ-UHFFFAOYSA-N 1 2 381.530 3.769 20 30 GHEDLO C=CCn1c(=O)c2c3c(sc2nc1SCCn1cc[nH+]c1)CCCCC3 ZINC000535648085 842882712 /nfs/dbraw/zinc/88/27/12/842882712.db2.gz XGZHMLIMLBCJDO-UHFFFAOYSA-N 1 2 386.546 3.902 20 30 GHEDLO N#CCCn1cc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)c(-c2ccncc2)n1 ZINC000279480450 843076926 /nfs/dbraw/zinc/07/69/26/843076926.db2.gz WSYIDGOLVBKTGG-NRFANRHFSA-N 1 2 391.450 3.571 20 30 GHEDLO N#CCCn1cc(C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)c(-c2ccncc2)n1 ZINC000279480450 843076937 /nfs/dbraw/zinc/07/69/37/843076937.db2.gz WSYIDGOLVBKTGG-NRFANRHFSA-N 1 2 391.450 3.571 20 30 GHEDLO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC(c3ccc(F)c(F)c3)CC2)C1=O ZINC000610581681 843100201 /nfs/dbraw/zinc/10/02/01/843100201.db2.gz KEBSNVDNKQKGLS-SFHVURJKSA-N 1 2 387.455 3.883 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000512224224 843151003 /nfs/dbraw/zinc/15/10/03/843151003.db2.gz AGCYERGQNCSGBX-VQIMIIECSA-N 1 2 388.533 3.964 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000512224224 843151008 /nfs/dbraw/zinc/15/10/08/843151008.db2.gz AGCYERGQNCSGBX-VQIMIIECSA-N 1 2 388.533 3.964 20 30 GHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)[C@@H](C)c2ccco2)c1C#N ZINC000069068827 843451100 /nfs/dbraw/zinc/45/11/00/843451100.db2.gz ZOORBAYLQZFWEX-INIZCTEOSA-N 1 2 380.448 3.842 20 30 GHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)[C@@H](C)c2ccco2)c1C#N ZINC000069068827 843451108 /nfs/dbraw/zinc/45/11/08/843451108.db2.gz ZOORBAYLQZFWEX-INIZCTEOSA-N 1 2 380.448 3.842 20 30 GHEDLO Cc1nc([C@@H]2CCC[N@@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)sc1C ZINC000333064147 843952323 /nfs/dbraw/zinc/95/23/23/843952323.db2.gz SYFAASFONULIIY-CVEARBPZSA-N 1 2 386.546 3.678 20 30 GHEDLO Cc1nc([C@@H]2CCC[N@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)sc1C ZINC000333064147 843952326 /nfs/dbraw/zinc/95/23/26/843952326.db2.gz SYFAASFONULIIY-CVEARBPZSA-N 1 2 386.546 3.678 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c2c(F)cncc2F)c1 ZINC000513271045 845165973 /nfs/dbraw/zinc/16/59/73/845165973.db2.gz IYUKYARHKFNEJN-HZPDHXFCSA-N 1 2 386.446 3.963 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c2c(F)cncc2F)c1 ZINC000513271043 845166330 /nfs/dbraw/zinc/16/63/30/845166330.db2.gz IYUKYARHKFNEJN-CVEARBPZSA-N 1 2 386.446 3.963 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCOCC2(CCCC2)C1 ZINC000614222614 845290729 /nfs/dbraw/zinc/29/07/29/845290729.db2.gz LSGAWZKJWLXMOE-QGZVFWFLSA-N 1 2 387.549 3.912 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCOCC2(CCCC2)C1 ZINC000614222614 845290746 /nfs/dbraw/zinc/29/07/46/845290746.db2.gz LSGAWZKJWLXMOE-QGZVFWFLSA-N 1 2 387.549 3.912 20 30 GHEDLO CCc1ccc(C[NH+]2CCN(C(=O)C(C)(C)c3cc(F)cc(C#N)c3)CC2)s1 ZINC000513371993 845323989 /nfs/dbraw/zinc/32/39/89/845323989.db2.gz RRRBRQKNOZFUMG-UHFFFAOYSA-N 1 2 399.535 3.943 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](CC(=O)N3CCCc4ccccc43)CC2)c(F)c1 ZINC000512812529 845618699 /nfs/dbraw/zinc/61/86/99/845618699.db2.gz VQDNKOLFDDWCJF-UHFFFAOYSA-N 1 2 393.462 3.520 20 30 GHEDLO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)Cc1ccncc1 ZINC000502781572 846481700 /nfs/dbraw/zinc/48/17/00/846481700.db2.gz QOWVMWQBSRRHOS-UHFFFAOYSA-N 1 2 379.508 3.947 20 30 GHEDLO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)Cc1ccncc1 ZINC000502781572 846481705 /nfs/dbraw/zinc/48/17/05/846481705.db2.gz QOWVMWQBSRRHOS-UHFFFAOYSA-N 1 2 379.508 3.947 20 30 GHEDLO CC1(C#N)CC[NH+](CC(=O)Nc2cccc(CSc3ccccn3)c2)CC1 ZINC000272517301 847097968 /nfs/dbraw/zinc/09/79/68/847097968.db2.gz GWUFFCOFWBDHGN-UHFFFAOYSA-N 1 2 380.517 3.938 20 30 GHEDLO C=CCc1cc(C(=O)N(C)CCCc2[nH+]ccn2CCC)cc(OC)c1OC ZINC000277630070 847342832 /nfs/dbraw/zinc/34/28/32/847342832.db2.gz SCXAGTBDIDBYDG-UHFFFAOYSA-N 1 2 385.508 3.744 20 30 GHEDLO C[N@H+](CC(=O)Nc1c(F)cc(F)cc1Br)Cc1ccc(C#N)cc1 ZINC000046528936 848363754 /nfs/dbraw/zinc/36/37/54/848363754.db2.gz YOQJORGCYDLKGN-UHFFFAOYSA-N 1 2 394.219 3.669 20 30 GHEDLO C[N@@H+](CC(=O)Nc1c(F)cc(F)cc1Br)Cc1ccc(C#N)cc1 ZINC000046528936 848363761 /nfs/dbraw/zinc/36/37/61/848363761.db2.gz YOQJORGCYDLKGN-UHFFFAOYSA-N 1 2 394.219 3.669 20 30 GHEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000475017956 861913808 /nfs/dbraw/zinc/91/38/08/861913808.db2.gz ORXUZMZSGWEVTQ-UHFFFAOYSA-N 1 2 385.414 3.846 20 30 GHEDLO CC(C)[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)ccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000503962458 849803168 /nfs/dbraw/zinc/80/31/68/849803168.db2.gz LEDAROHGJHNQEX-HKUYNNGSSA-N 1 2 386.858 3.700 20 30 GHEDLO CC(C)[N@H+]1CC[C@H](NC(=O)c2cc(C#N)ccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000503962458 849803175 /nfs/dbraw/zinc/80/31/75/849803175.db2.gz LEDAROHGJHNQEX-HKUYNNGSSA-N 1 2 386.858 3.700 20 30 GHEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2c(F)cccc2N2CCCC2)CC1 ZINC000434980552 849949028 /nfs/dbraw/zinc/94/90/28/849949028.db2.gz AGZFKOMQBZPBEZ-HSZRJFAPSA-N 1 2 378.495 3.808 20 30 GHEDLO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3csc(-c4ccccc4)n3)C2=O)cc1 ZINC000486883919 850189092 /nfs/dbraw/zinc/18/90/92/850189092.db2.gz KGHVHJMZRKNAMN-HXUWFJFHSA-N 1 2 388.496 3.572 20 30 GHEDLO N#CCCC1CC[NH+](CC(=O)Nc2ccccc2C(=O)c2ccccc2)CC1 ZINC000569599175 850233300 /nfs/dbraw/zinc/23/33/00/850233300.db2.gz NUYPBYRBOHNBCF-UHFFFAOYSA-N 1 2 375.472 3.872 20 30 GHEDLO C=CCn1cc(C[NH2+]Cc2ccc(Br)cc2C(F)(F)F)nn1 ZINC000424172132 850276423 /nfs/dbraw/zinc/27/64/23/850276423.db2.gz NJHBGKNWDXQLFY-UHFFFAOYSA-N 1 2 375.192 3.535 20 30 GHEDLO N#Cc1ccc(N2CCC(C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)CC2)c(F)c1 ZINC000505112730 850633034 /nfs/dbraw/zinc/63/30/34/850633034.db2.gz FNYFQXYBJNFWGS-UHFFFAOYSA-N 1 2 389.434 3.738 20 30 GHEDLO N#Cc1cccc(OCc2ccoc2C(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000522600586 862160563 /nfs/dbraw/zinc/16/05/63/862160563.db2.gz KYULBLOXIZVNNH-UHFFFAOYSA-N 1 2 398.422 3.846 20 30 GHEDLO C=CCn1c(SCc2c[nH+]cn2C)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000481763392 862204803 /nfs/dbraw/zinc/20/48/03/862204803.db2.gz VIYNFZVPWHHKKP-LBPRGKRZSA-N 1 2 386.546 3.795 20 30 GHEDLO C[N@H+](Cc1cc(Br)cs1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000434570373 851272156 /nfs/dbraw/zinc/27/21/56/851272156.db2.gz SHAWZBUOSVNABX-ZDUSSCGKSA-N 1 2 396.335 3.681 20 30 GHEDLO C[N@@H+](Cc1cc(Br)cs1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000434570373 851272166 /nfs/dbraw/zinc/27/21/66/851272166.db2.gz SHAWZBUOSVNABX-ZDUSSCGKSA-N 1 2 396.335 3.681 20 30 GHEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000329725594 862240013 /nfs/dbraw/zinc/24/00/13/862240013.db2.gz OFGFYOLTDMDUMW-PBHICJAKSA-N 1 2 389.297 3.781 20 30 GHEDLO Cn1nccc1[C@@H]1CCCC[N@@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000281413276 851578980 /nfs/dbraw/zinc/57/89/80/851578980.db2.gz OGGRJROKQMUGHU-NRFANRHFSA-N 1 2 375.476 3.698 20 30 GHEDLO Cn1nccc1[C@@H]1CCCC[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000281413276 851578987 /nfs/dbraw/zinc/57/89/87/851578987.db2.gz OGGRJROKQMUGHU-NRFANRHFSA-N 1 2 375.476 3.698 20 30 GHEDLO C=CC[N@H+](Cc1nc(-c2cccs2)no1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000517529814 852078768 /nfs/dbraw/zinc/07/87/68/852078768.db2.gz WGFRTMLZUKZFIU-AWEZNQCLSA-N 1 2 393.476 3.523 20 30 GHEDLO C=CC[N@@H+](Cc1nc(-c2cccs2)no1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000517529814 852078776 /nfs/dbraw/zinc/07/87/76/852078776.db2.gz WGFRTMLZUKZFIU-AWEZNQCLSA-N 1 2 393.476 3.523 20 30 GHEDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000329783045 862319024 /nfs/dbraw/zinc/31/90/24/862319024.db2.gz OEEBLBLBCBSIFG-IAGOWNOFSA-N 1 2 390.553 3.708 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](Cc1ccncc1)C1CC1 ZINC000180762416 862324039 /nfs/dbraw/zinc/32/40/39/862324039.db2.gz OKCXXQWWBKLPOW-MRXNPFEDSA-N 1 2 380.517 3.936 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](Cc1ccncc1)C1CC1 ZINC000180762416 862324055 /nfs/dbraw/zinc/32/40/55/862324055.db2.gz OKCXXQWWBKLPOW-MRXNPFEDSA-N 1 2 380.517 3.936 20 30 GHEDLO Cn1c(NCc2cccn2Cc2ccccc2C#N)[nH+]c2cccc(Cl)c21 ZINC000438240386 852149321 /nfs/dbraw/zinc/14/93/21/852149321.db2.gz OGSVSKGJJKZRFC-UHFFFAOYSA-N 1 2 375.863 3.982 20 30 GHEDLO CCc1nsc(N2CCC[N@H+](CC(=O)N[C@H]3CCCc4ccccc43)CC2)n1 ZINC000329827180 862352022 /nfs/dbraw/zinc/35/20/22/862352022.db2.gz RNEZAQHQMFGAAN-SFHVURJKSA-N 1 2 399.564 3.647 20 30 GHEDLO CCc1nsc(N2CCC[N@@H+](CC(=O)N[C@H]3CCCc4ccccc43)CC2)n1 ZINC000329827180 862352041 /nfs/dbraw/zinc/35/20/41/862352041.db2.gz RNEZAQHQMFGAAN-SFHVURJKSA-N 1 2 399.564 3.647 20 30 GHEDLO Cc1cc(C)c(C)c(S(=O)(=O)N2CC[NH+](CC(C)(C)CCC#N)CC2)c1C ZINC000505881412 852355074 /nfs/dbraw/zinc/35/50/74/852355074.db2.gz LECOZSZWBPFRAZ-UHFFFAOYSA-N 1 2 391.581 3.557 20 30 GHEDLO CCOc1cc(C[NH+]2CCN(c3ncccc3C#N)CC2)ccc1OCC(C)C ZINC000506245970 852456559 /nfs/dbraw/zinc/45/65/59/852456559.db2.gz MSUQDOINCSNEEU-UHFFFAOYSA-N 1 2 394.519 3.709 20 30 GHEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]1c1cc(Br)ccc1OC ZINC000507194452 852665510 /nfs/dbraw/zinc/66/55/10/852665510.db2.gz GLLACMITIHGBIA-QGZVFWFLSA-N 1 2 393.325 3.795 20 30 GHEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]1c1cc(Br)ccc1OC ZINC000507194452 852665514 /nfs/dbraw/zinc/66/55/14/852665514.db2.gz GLLACMITIHGBIA-QGZVFWFLSA-N 1 2 393.325 3.795 20 30 GHEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000604670599 862381155 /nfs/dbraw/zinc/38/11/55/862381155.db2.gz ZOJWCRNDOFQOQR-UHFFFAOYSA-N 1 2 376.460 3.779 20 30 GHEDLO CCC[C@H](NC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2C#N)CC1)c1ccccc1 ZINC000507292048 852765306 /nfs/dbraw/zinc/76/53/06/852765306.db2.gz KEJXSCUOHKVRJO-KNQAVFIVSA-N 1 2 390.531 3.726 20 30 GHEDLO C[C@H](NC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1)c1cc2cccc(F)c2o1 ZINC000329930203 862434294 /nfs/dbraw/zinc/43/42/94/862434294.db2.gz OGZPIJAJVQPUGY-WRSAYESZSA-N 1 2 386.427 3.790 20 30 GHEDLO C[C@](O)(C1CC[NH+](Cc2cc(C#N)ccc2Br)CC1)C(F)(F)F ZINC000519621978 853328266 /nfs/dbraw/zinc/32/82/66/853328266.db2.gz UBVKTKYWJIEUQR-HNNXBMFYSA-N 1 2 391.231 3.846 20 30 GHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3coc(C4CCOCC4)n3)n2)C1 ZINC000329959825 862457361 /nfs/dbraw/zinc/45/73/61/862457361.db2.gz NOCNXEMCLUKVEM-ZDUSSCGKSA-N 1 2 390.509 3.893 20 30 GHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3coc(C4CCOCC4)n3)n2)C1 ZINC000329959825 862457372 /nfs/dbraw/zinc/45/73/72/862457372.db2.gz NOCNXEMCLUKVEM-ZDUSSCGKSA-N 1 2 390.509 3.893 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)c(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000517191107 853495134 /nfs/dbraw/zinc/49/51/34/853495134.db2.gz OZTNXVHTBNYRHS-MSOLQXFVSA-N 1 2 375.806 3.665 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)c2ccc(F)c(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000517191107 853495136 /nfs/dbraw/zinc/49/51/36/853495136.db2.gz OZTNXVHTBNYRHS-MSOLQXFVSA-N 1 2 375.806 3.665 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccccc2I)nc1 ZINC000571698974 853991482 /nfs/dbraw/zinc/99/14/82/853991482.db2.gz VSYXHIPMXKPERW-KRWDZBQOSA-N 1 2 389.240 3.895 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccccc2I)nc1 ZINC000571698974 853991485 /nfs/dbraw/zinc/99/14/85/853991485.db2.gz VSYXHIPMXKPERW-KRWDZBQOSA-N 1 2 389.240 3.895 20 30 GHEDLO C[C@@](C#N)(NC(=O)C[NH2+][C@@H](c1ccc(F)cc1)c1ccccc1Cl)C1CC1 ZINC000055873692 854198411 /nfs/dbraw/zinc/19/84/11/854198411.db2.gz WRNYLKMYTXZPQH-SFTDATJTSA-N 1 2 385.870 3.967 20 30 GHEDLO CC[C@@H]1C[N@H+](CC(=O)NCC2(c3ccccc3)CCCC2)C[C@@]2(CCOC2)O1 ZINC000330061964 862545272 /nfs/dbraw/zinc/54/52/72/862545272.db2.gz AKOUEVPNARCHCF-NFBKMPQASA-N 1 2 386.536 3.725 20 30 GHEDLO CC[C@@H]1C[N@@H+](CC(=O)NCC2(c3ccccc3)CCCC2)C[C@@]2(CCOC2)O1 ZINC000330061964 862545279 /nfs/dbraw/zinc/54/52/79/862545279.db2.gz AKOUEVPNARCHCF-NFBKMPQASA-N 1 2 386.536 3.725 20 30 GHEDLO C[C@@H]1C[N@H+](CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)C[C@]2(CCOC2)O1 ZINC000330071564 862554609 /nfs/dbraw/zinc/55/46/09/862554609.db2.gz JAFCISFOUCBSJT-XGRCMKMKSA-N 1 2 390.499 3.893 20 30 GHEDLO C[C@@H]1C[N@@H+](CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)C[C@]2(CCOC2)O1 ZINC000330071564 862554617 /nfs/dbraw/zinc/55/46/17/862554617.db2.gz JAFCISFOUCBSJT-XGRCMKMKSA-N 1 2 390.499 3.893 20 30 GHEDLO CCC(CC)[C@H](C(=O)N[C@@H]1CCN(C(C)=O)c2ccccc21)[NH+]1CCOCC1 ZINC000328796421 854559966 /nfs/dbraw/zinc/55/99/66/854559966.db2.gz DBYIWYPGTRNIEB-TZIWHRDSSA-N 1 2 387.524 3.578 20 30 GHEDLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000328799922 854561799 /nfs/dbraw/zinc/56/17/99/854561799.db2.gz HSHVDSLMPADIJF-SJLPKXTDSA-N 1 2 378.476 3.506 20 30 GHEDLO Cc1cc([C@@H]2CCCN2C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)on1 ZINC000328920770 854622372 /nfs/dbraw/zinc/62/23/72/854622372.db2.gz LZWDMOTZSUYUHZ-AOIWGVFYSA-N 1 2 390.434 3.758 20 30 GHEDLO Cc1cc([C@@H]2CCCN2C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)on1 ZINC000328920770 854622378 /nfs/dbraw/zinc/62/23/78/854622378.db2.gz LZWDMOTZSUYUHZ-AOIWGVFYSA-N 1 2 390.434 3.758 20 30 GHEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1sc(N2CCOCC2)nc1Cl ZINC000895055760 854860749 /nfs/dbraw/zinc/86/07/49/854860749.db2.gz XCLCTHKNHXMEME-CYBMUJFWSA-N 1 2 376.913 3.698 20 30 GHEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1sc(N2CCOCC2)nc1Cl ZINC000895055760 854860754 /nfs/dbraw/zinc/86/07/54/854860754.db2.gz XCLCTHKNHXMEME-CYBMUJFWSA-N 1 2 376.913 3.698 20 30 GHEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)Cc1ccc(Br)s1 ZINC000057524715 855439074 /nfs/dbraw/zinc/43/90/74/855439074.db2.gz RTYNWBXWPIQMPS-GFCCVEGCSA-N 1 2 384.343 3.674 20 30 GHEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)Cc1ccc(Br)s1 ZINC000057524715 855439076 /nfs/dbraw/zinc/43/90/76/855439076.db2.gz RTYNWBXWPIQMPS-GFCCVEGCSA-N 1 2 384.343 3.674 20 30 GHEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@@H]2Cc2c(F)cccc2Cl)CCCCC1 ZINC000520523968 855591694 /nfs/dbraw/zinc/59/16/94/855591694.db2.gz ULXZBMDFPHRKAJ-OAHLLOKOSA-N 1 2 377.891 3.829 20 30 GHEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H]2Cc2c(F)cccc2Cl)CCCCC1 ZINC000520523968 855591700 /nfs/dbraw/zinc/59/17/00/855591700.db2.gz ULXZBMDFPHRKAJ-OAHLLOKOSA-N 1 2 377.891 3.829 20 30 GHEDLO Cc1cccc([C@H](CNc2nc(C(F)(F)F)ccc2C#N)[NH+]2CCOCC2)c1 ZINC000301309637 855658604 /nfs/dbraw/zinc/65/86/04/855658604.db2.gz XUJAUQLWCFLKMP-KRWDZBQOSA-N 1 2 390.409 3.766 20 30 GHEDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000330264552 862705069 /nfs/dbraw/zinc/70/50/69/862705069.db2.gz YBUXYUQAWZTLRV-VAMGGRTRSA-N 1 2 392.503 3.979 20 30 GHEDLO NC(=O)c1ccc(C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C2CC2)c(F)c1 ZINC000428837037 856044970 /nfs/dbraw/zinc/04/49/70/856044970.db2.gz VRQWRSZKVOWKOM-UHFFFAOYSA-N 1 2 390.380 3.960 20 30 GHEDLO NC(=O)c1ccc(C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C2CC2)c(F)c1 ZINC000428837037 856044978 /nfs/dbraw/zinc/04/49/78/856044978.db2.gz VRQWRSZKVOWKOM-UHFFFAOYSA-N 1 2 390.380 3.960 20 30 GHEDLO C=CCSc1ccccc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000485478481 856626545 /nfs/dbraw/zinc/62/65/45/856626545.db2.gz IZYIDMZBHIYKCF-IBGZPJMESA-N 1 2 382.529 3.596 20 30 GHEDLO C=CCSc1ccccc1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000485478481 856626547 /nfs/dbraw/zinc/62/65/47/856626547.db2.gz IZYIDMZBHIYKCF-IBGZPJMESA-N 1 2 382.529 3.596 20 30 GHEDLO Cc1cccn2cc(CCNC(=O)Nc3ccc(OC(C)C)c(C#N)c3)[nH+]c12 ZINC000157684667 856857720 /nfs/dbraw/zinc/85/77/20/856857720.db2.gz XDTWTDCXGUNOJT-UHFFFAOYSA-N 1 2 377.448 3.666 20 30 GHEDLO C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000046345100 857504549 /nfs/dbraw/zinc/50/45/49/857504549.db2.gz BFEGEOUIUWUYSR-KZNAEPCWSA-N 1 2 393.487 3.573 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)Nc2nc(Cl)c(C#N)s2)[C@H]1c1ccc(F)c(F)c1 ZINC000888419020 857636841 /nfs/dbraw/zinc/63/68/41/857636841.db2.gz GOCCFYGYVQTTJX-WCQYABFASA-N 1 2 397.838 3.513 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)Nc2nc(Cl)c(C#N)s2)[C@H]1c1ccc(F)c(F)c1 ZINC000888419020 857636844 /nfs/dbraw/zinc/63/68/44/857636844.db2.gz GOCCFYGYVQTTJX-WCQYABFASA-N 1 2 397.838 3.513 20 30 GHEDLO C[C@@H]1CCc2ccccc2N1CCC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000330335846 862981707 /nfs/dbraw/zinc/98/17/07/862981707.db2.gz RXIAZMMDOGYSPV-BLIXFSHQSA-N 1 2 382.508 3.828 20 30 GHEDLO Cc1ccc2[nH+]c(CSCC(=O)NC3(c4ccc(C#N)cc4)CCC3)cn2c1 ZINC000594402643 858132948 /nfs/dbraw/zinc/13/29/48/858132948.db2.gz LYPIGXQMOJIMNC-UHFFFAOYSA-N 1 2 390.512 3.943 20 30 GHEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@@H]2c2cccc(Br)c2)c1 ZINC000521814631 858338725 /nfs/dbraw/zinc/33/87/25/858338725.db2.gz GYJOZILVQRKIJT-LJQANCHMSA-N 1 2 398.304 3.774 20 30 GHEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H]2c2cccc(Br)c2)c1 ZINC000521814631 858338735 /nfs/dbraw/zinc/33/87/35/858338735.db2.gz GYJOZILVQRKIJT-LJQANCHMSA-N 1 2 398.304 3.774 20 30 GHEDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc(C#N)c(Cl)c3)CC2)cc1 ZINC000159809813 863029400 /nfs/dbraw/zinc/02/94/00/863029400.db2.gz CCQZDJVTUSOORA-UHFFFAOYSA-N 1 2 383.879 3.568 20 30 GHEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)C1 ZINC000595609585 858630229 /nfs/dbraw/zinc/63/02/29/858630229.db2.gz MRESXWDGAFBBIJ-RDJZCZTQSA-N 1 2 382.489 3.644 20 30 GHEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)C1 ZINC000595609585 858630234 /nfs/dbraw/zinc/63/02/34/858630234.db2.gz MRESXWDGAFBBIJ-RDJZCZTQSA-N 1 2 382.489 3.644 20 30 GHEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)C1 ZINC000595609586 858630391 /nfs/dbraw/zinc/63/03/91/858630391.db2.gz MRESXWDGAFBBIJ-WBVHZDCISA-N 1 2 382.489 3.644 20 30 GHEDLO N#CC[C@H]1CCC[N@H+](CC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)C1 ZINC000595609586 858630398 /nfs/dbraw/zinc/63/03/98/858630398.db2.gz MRESXWDGAFBBIJ-WBVHZDCISA-N 1 2 382.489 3.644 20 30 GHEDLO COC[C@H]([NH2+]Cc1ccc(Br)cc1C#N)c1cccc(OC)c1 ZINC000595685666 858647040 /nfs/dbraw/zinc/64/70/40/858647040.db2.gz YKAHMVWNWDNXFS-SFHVURJKSA-N 1 2 375.266 3.807 20 30 GHEDLO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1nnc2n1CCCCC2 ZINC000595799410 858679100 /nfs/dbraw/zinc/67/91/00/858679100.db2.gz DJJSKJLNGNMZHG-OAHLLOKOSA-N 1 2 375.423 3.718 20 30 GHEDLO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H](CC(F)(F)F)O1 ZINC000595893385 858708753 /nfs/dbraw/zinc/70/87/53/858708753.db2.gz WLEXASGEGHAFHX-SUMWQHHRSA-N 1 2 378.398 3.500 20 30 GHEDLO C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H](CC(F)(F)F)O1 ZINC000595893385 858708757 /nfs/dbraw/zinc/70/87/57/858708757.db2.gz WLEXASGEGHAFHX-SUMWQHHRSA-N 1 2 378.398 3.500 20 30 GHEDLO Cc1cc(N2C[C@@H](C)OC3(CCC3)C2)c(C#N)c(N2C[C@H](C)OC3(CCC3)C2)[nH+]1 ZINC000596290804 858838565 /nfs/dbraw/zinc/83/85/65/858838565.db2.gz DMFCJYJYVYKVAF-MSOLQXFVSA-N 1 2 396.535 3.557 20 30 GHEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000922924738 858859171 /nfs/dbraw/zinc/85/91/71/858859171.db2.gz OMYXZSNJKXPVOP-FQEVSTJZSA-N 1 2 375.476 3.617 20 30 GHEDLO CC(C)([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cc(C(F)(F)F)on1 ZINC000429270676 858878494 /nfs/dbraw/zinc/87/84/94/858878494.db2.gz JCPORHZHIBYROR-CQSZACIVSA-N 1 2 392.381 3.585 20 30 GHEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000120220326 881364206 /nfs/dbraw/zinc/36/42/06/881364206.db2.gz KPEIXKZWXIQHPQ-UHFFFAOYSA-N 1 2 399.498 3.743 20 30 GHEDLO Cc1sc(NC(=O)C[NH+]2CCC(O)(Cc3cccc(C)c3)CC2)c(C#N)c1C ZINC000482927989 858974391 /nfs/dbraw/zinc/97/43/91/858974391.db2.gz KZRFDDDOUGSQPA-UHFFFAOYSA-N 1 2 397.544 3.553 20 30 GHEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000443643503 859142192 /nfs/dbraw/zinc/14/21/92/859142192.db2.gz VWNQNZBCFWHEIS-QINHECLXSA-N 1 2 377.916 3.626 20 30 GHEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000443643503 859142195 /nfs/dbraw/zinc/14/21/95/859142195.db2.gz VWNQNZBCFWHEIS-QINHECLXSA-N 1 2 377.916 3.626 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCN(c3cccs3)CC2)c1 ZINC000466690175 859157365 /nfs/dbraw/zinc/15/73/65/859157365.db2.gz PAIASHNNYYUEBB-LJQANCHMSA-N 1 2 396.560 3.822 20 30 GHEDLO N#C[C@H](C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nccc2ccccc21 ZINC000483213551 859225020 /nfs/dbraw/zinc/22/50/20/859225020.db2.gz MMYDKCNQCSSMNN-KRWDZBQOSA-N 1 2 383.367 3.819 20 30 GHEDLO Cc1sc(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)c(C#N)c1C ZINC000060550520 859510737 /nfs/dbraw/zinc/51/07/37/859510737.db2.gz LAOONQYFGAGTMK-UHFFFAOYSA-N 1 2 393.472 3.714 20 30 GHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CC[C@@H](C(F)F)C2)c1C#N ZINC000611180065 859634441 /nfs/dbraw/zinc/63/44/41/859634441.db2.gz QWGQMCVMMNUFBJ-QGZVFWFLSA-N 1 2 386.446 3.550 20 30 GHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CC[C@@H](C(F)F)C2)c1C#N ZINC000611180065 859634446 /nfs/dbraw/zinc/63/44/46/859634446.db2.gz QWGQMCVMMNUFBJ-QGZVFWFLSA-N 1 2 386.446 3.550 20 30 GHEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000602085001 859742053 /nfs/dbraw/zinc/74/20/53/859742053.db2.gz LKVKVZUKYGXJFB-KRWDZBQOSA-N 1 2 378.398 3.933 20 30 GHEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCc2cc(Br)ccc2C1 ZINC000484008955 859750677 /nfs/dbraw/zinc/75/06/77/859750677.db2.gz FQPUBRJOENKYNU-UHFFFAOYSA-N 1 2 387.277 3.766 20 30 GHEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCc2cc(Br)ccc2C1 ZINC000484008955 859750681 /nfs/dbraw/zinc/75/06/81/859750681.db2.gz FQPUBRJOENKYNU-UHFFFAOYSA-N 1 2 387.277 3.766 20 30 GHEDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N[C@@H](CCCC#N)c2ccccc2)cc1 ZINC000602157830 859814275 /nfs/dbraw/zinc/81/42/75/859814275.db2.gz FHTZMECCLQLDDO-VXKWHMMOSA-N 1 2 377.488 3.821 20 30 GHEDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)N[C@@H](CCCC#N)c2ccccc2)cc1 ZINC000602157830 859814281 /nfs/dbraw/zinc/81/42/81/859814281.db2.gz FHTZMECCLQLDDO-VXKWHMMOSA-N 1 2 377.488 3.821 20 30 GHEDLO C#CCOc1cc(F)ccc1NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000765192184 859823002 /nfs/dbraw/zinc/82/30/02/859823002.db2.gz OBTVLBGKGMNHQW-HNNXBMFYSA-N 1 2 387.480 3.810 20 30 GHEDLO CCOC(=O)c1c(C)c2ccccc2nc1CO[NH+]=C(N)c1ccc(F)cc1 ZINC000727487931 860114237 /nfs/dbraw/zinc/11/42/37/860114237.db2.gz CCJAHSBBRIKHPM-UHFFFAOYSA-N 1 2 381.407 3.696 20 30 GHEDLO C=CC[N@@H+](CCOC)[C@@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000484592487 860151971 /nfs/dbraw/zinc/15/19/71/860151971.db2.gz HPTOOLSOKCIRJJ-LBPRGKRZSA-N 1 2 381.448 3.550 20 30 GHEDLO C=CC[N@H+](CCOC)[C@@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000484592487 860151979 /nfs/dbraw/zinc/15/19/79/860151979.db2.gz HPTOOLSOKCIRJJ-LBPRGKRZSA-N 1 2 381.448 3.550 20 30 GHEDLO C=CC[N@@H+](CCOC)[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000484671914 860242738 /nfs/dbraw/zinc/24/27/38/860242738.db2.gz MOTIKSBIXULLHC-HXUWFJFHSA-N 1 2 383.448 3.717 20 30 GHEDLO C=CC[N@H+](CCOC)[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000484671914 860242749 /nfs/dbraw/zinc/24/27/49/860242749.db2.gz MOTIKSBIXULLHC-HXUWFJFHSA-N 1 2 383.448 3.717 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@H](CO)c1cccc(Cl)c1F ZINC000499951299 860281991 /nfs/dbraw/zinc/28/19/91/860281991.db2.gz SRFOMCQNMDZDKL-CXAGYDPISA-N 1 2 396.915 3.767 20 30 GHEDLO C[C@H](c1nnc(-c2ccc3ccccc3c2)o1)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602851911 860314182 /nfs/dbraw/zinc/31/41/82/860314182.db2.gz YDSNCHSSZJHBOG-YESZJQIVSA-N 1 2 375.476 3.869 20 30 GHEDLO C[C@H](c1nnc(-c2ccc3ccccc3c2)o1)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602851909 860314558 /nfs/dbraw/zinc/31/45/58/860314558.db2.gz YDSNCHSSZJHBOG-BRWVUGGUSA-N 1 2 375.476 3.869 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@H](c2cccnc2)C1 ZINC000602855966 860316311 /nfs/dbraw/zinc/31/63/11/860316311.db2.gz QTJRKNXZHSKASK-HOCLYGCPSA-N 1 2 380.517 3.710 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@H](c2cccnc2)C1 ZINC000602855966 860316316 /nfs/dbraw/zinc/31/63/16/860316316.db2.gz QTJRKNXZHSKASK-HOCLYGCPSA-N 1 2 380.517 3.710 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602864847 860320118 /nfs/dbraw/zinc/32/01/18/860320118.db2.gz QUZNJLDUDZGBRY-HSALFYBXSA-N 1 2 390.531 3.523 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602864847 860320130 /nfs/dbraw/zinc/32/01/30/860320130.db2.gz QUZNJLDUDZGBRY-HSALFYBXSA-N 1 2 390.531 3.523 20 30 GHEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)c(C#N)c1C ZINC000155349696 860486171 /nfs/dbraw/zinc/48/61/71/860486171.db2.gz LDWDURCEQLHZQJ-HNNXBMFYSA-N 1 2 398.532 3.922 20 30 GHEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)c(C#N)c1C ZINC000155349696 860486179 /nfs/dbraw/zinc/48/61/79/860486179.db2.gz LDWDURCEQLHZQJ-HNNXBMFYSA-N 1 2 398.532 3.922 20 30 GHEDLO COCCOCc1cc(C#N)ccc1NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000603279968 860611366 /nfs/dbraw/zinc/61/13/66/860611366.db2.gz UJZBQOCZYCNKHE-UHFFFAOYSA-N 1 2 380.492 3.719 20 30 GHEDLO CC[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(C)cc1 ZINC000522466833 860663687 /nfs/dbraw/zinc/66/36/87/860663687.db2.gz KNOUUCSTSSTNSS-JOCHJYFZSA-N 1 2 376.504 3.845 20 30 GHEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)CC1 ZINC000730217734 860944249 /nfs/dbraw/zinc/94/42/49/860944249.db2.gz WSLWANQLOOQLTE-UHFFFAOYSA-N 1 2 390.455 3.798 20 30 GHEDLO Cc1ccc(NC(=O)C[NH+]2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)c(F)c1 ZINC000329106056 861022396 /nfs/dbraw/zinc/02/23/96/861022396.db2.gz HHFSXVQMOBXDDV-KRWDZBQOSA-N 1 2 387.499 3.837 20 30 GHEDLO O=C(NC[C@@H]1CCO[C@H]1c1ccc(F)cc1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329153416 861074699 /nfs/dbraw/zinc/07/46/99/861074699.db2.gz UFKUDAGCLRWKBS-DBVUQKKJSA-N 1 2 376.472 3.503 20 30 GHEDLO O=C(NC[C@@H]1CCO[C@H]1c1ccc(F)cc1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329153416 861074716 /nfs/dbraw/zinc/07/47/16/861074716.db2.gz UFKUDAGCLRWKBS-DBVUQKKJSA-N 1 2 376.472 3.503 20 30 GHEDLO C#CCOc1cc(F)ccc1NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282678004 863283739 /nfs/dbraw/zinc/28/37/39/863283739.db2.gz ICSFKKLADBQEDB-MRXNPFEDSA-N 1 2 396.466 3.782 20 30 GHEDLO C=CCOc1ccc(C[N@H+](Cc2nc3ccccc3c(=O)[nH]2)C(C)C)cc1OC ZINC000158520057 863857872 /nfs/dbraw/zinc/85/78/72/863857872.db2.gz UPFRASDQPJTOPH-UHFFFAOYSA-N 1 2 393.487 3.907 20 30 GHEDLO C=CCOc1ccc(C[N@@H+](Cc2nc3ccccc3c(=O)[nH]2)C(C)C)cc1OC ZINC000158520057 863857887 /nfs/dbraw/zinc/85/78/87/863857887.db2.gz UPFRASDQPJTOPH-UHFFFAOYSA-N 1 2 393.487 3.907 20 30 GHEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCCNc1cccc[nH+]1 ZINC000606846976 863877098 /nfs/dbraw/zinc/87/70/98/863877098.db2.gz BDCZPUPYAINSBI-UHFFFAOYSA-N 1 2 379.382 3.897 20 30 GHEDLO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@H](Cc3ccccc3)c3ncco3)C2=O)cc1 ZINC000594053449 863912713 /nfs/dbraw/zinc/91/27/13/863912713.db2.gz BGMTWCORVIDNJW-NHCUHLMSSA-N 1 2 386.455 3.615 20 30 GHEDLO Cc1[nH+]cc(CN=Nc2ccc(Cl)nn2)n1-c1ccc(Br)cc1 ZINC000734977132 864572165 /nfs/dbraw/zinc/57/21/65/864572165.db2.gz FDCIOACOGWDBBI-UHFFFAOYSA-N 1 2 391.660 3.833 20 30 GHEDLO COCCOc1ccccc1C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000475334587 864822782 /nfs/dbraw/zinc/82/27/82/864822782.db2.gz OAOWMCKNVMBWBY-OAQYLSRUSA-N 1 2 399.922 3.748 20 30 GHEDLO C=CCn1c(-c2ccccc2F)nn(CN2CCC[C@@H](n3cc[nH+]c3)C2)c1=S ZINC000738156185 865499388 /nfs/dbraw/zinc/49/93/88/865499388.db2.gz BOXUQPBQLGMZBA-MRXNPFEDSA-N 1 2 398.511 3.897 20 30 GHEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCc3c(Cl)c(Cl)ccc3C2)cc1 ZINC000608789636 865724991 /nfs/dbraw/zinc/72/49/91/865724991.db2.gz RAXUSIBJEHGQNU-INIZCTEOSA-N 1 2 391.298 3.857 20 30 GHEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCc3c(Cl)c(Cl)ccc3C2)cc1 ZINC000608789636 865724996 /nfs/dbraw/zinc/72/49/96/865724996.db2.gz RAXUSIBJEHGQNU-INIZCTEOSA-N 1 2 391.298 3.857 20 30 GHEDLO CC(=[NH+]Nc1ccc(Br)nc1)c1c(F)cccc1N1CCOCC1 ZINC000741164452 866277323 /nfs/dbraw/zinc/27/73/23/866277323.db2.gz LVXZFZOZSZBYEQ-UHFFFAOYSA-N 1 2 393.260 3.656 20 30 GHEDLO O=C(/C=C/c1c[nH+]c2ccc(Cl)cn12)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000737444652 866752109 /nfs/dbraw/zinc/75/21/09/866752109.db2.gz RZRWJCRQNPEMQF-QPJJXVBHSA-N 1 2 396.802 3.880 20 30 GHEDLO C#CCOc1cc(F)ccc1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000743198225 867946908 /nfs/dbraw/zinc/94/69/08/867946908.db2.gz OICJAIBMZTVKRS-UHFFFAOYSA-N 1 2 382.439 3.545 20 30 GHEDLO Cc1cc(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)ncc1C#N ZINC000457432465 868267638 /nfs/dbraw/zinc/26/76/38/868267638.db2.gz CBEZMFPDIVVDQE-GOSISDBHSA-N 1 2 386.858 3.621 20 30 GHEDLO C[C@H](NC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)c1cccc(C#N)c1 ZINC000743708448 868375319 /nfs/dbraw/zinc/37/53/19/868375319.db2.gz FDLFHJNUDQUYRM-KRWDZBQOSA-N 1 2 391.519 3.653 20 30 GHEDLO N#Cc1c(F)cccc1Oc1ccc(C(=O)NCCNc2cccc[nH+]2)cc1 ZINC000609316746 882227681 /nfs/dbraw/zinc/22/76/81/882227681.db2.gz BCERBFTWPQUMGO-UHFFFAOYSA-N 1 2 376.391 3.727 20 30 GHEDLO CN(C(=O)C[N@H+](C)Cc1csc(Br)c1)C1(C#N)CCCCC1 ZINC000144109453 868819136 /nfs/dbraw/zinc/81/91/36/868819136.db2.gz RMLLSVIBZWNYKB-UHFFFAOYSA-N 1 2 384.343 3.627 20 30 GHEDLO CN(C(=O)C[N@@H+](C)Cc1csc(Br)c1)C1(C#N)CCCCC1 ZINC000144109453 868819149 /nfs/dbraw/zinc/81/91/49/868819149.db2.gz RMLLSVIBZWNYKB-UHFFFAOYSA-N 1 2 384.343 3.627 20 30 GHEDLO N#Cc1ccc(OCc2cccc(C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)c2)cc1 ZINC000152823240 869247594 /nfs/dbraw/zinc/24/75/94/869247594.db2.gz SMOZOBHZVACBJG-NRFANRHFSA-N 1 2 398.466 3.541 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)c(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000539787038 869772152 /nfs/dbraw/zinc/77/21/52/869772152.db2.gz JNGMTDBLIRSBFN-ZWKOTPCHSA-N 1 2 375.806 3.665 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)c2ccc(Cl)c(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000539787038 869772162 /nfs/dbraw/zinc/77/21/62/869772162.db2.gz JNGMTDBLIRSBFN-ZWKOTPCHSA-N 1 2 375.806 3.665 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(Cl)c(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000539787030 869772181 /nfs/dbraw/zinc/77/21/81/869772181.db2.gz JNGMTDBLIRSBFN-MSOLQXFVSA-N 1 2 375.806 3.665 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)c2ccc(Cl)c(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000539787030 869772186 /nfs/dbraw/zinc/77/21/86/869772186.db2.gz JNGMTDBLIRSBFN-MSOLQXFVSA-N 1 2 375.806 3.665 20 30 GHEDLO C#CCN(CC#CC)C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000745804046 869828770 /nfs/dbraw/zinc/82/87/70/869828770.db2.gz YFIJXDLDNHLITQ-UHFFFAOYSA-N 1 2 396.494 3.767 20 30 GHEDLO CC(C)[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)CN(/C=C/c2ccccc2)C1=O ZINC000746032660 869959705 /nfs/dbraw/zinc/95/97/05/869959705.db2.gz FKGAPVDSOWWXJU-OUKQBFOZSA-N 1 2 388.471 3.661 20 30 GHEDLO CC(C)[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)CN(/C=C/c2ccccc2)C1=O ZINC000746032660 869959711 /nfs/dbraw/zinc/95/97/11/869959711.db2.gz FKGAPVDSOWWXJU-OUKQBFOZSA-N 1 2 388.471 3.661 20 30 GHEDLO CC(C)N(C)c1cccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000069347273 870627255 /nfs/dbraw/zinc/62/72/55/870627255.db2.gz IJZROSSWLILRER-UHFFFAOYSA-N 1 2 391.519 3.753 20 30 GHEDLO CCCCCCC[C@H](C)NC(=O)Nc1sc2c(c1C(N)=O)CC[N@@H+](C)C2 ZINC001192920029 870773563 /nfs/dbraw/zinc/77/35/63/870773563.db2.gz OVIKTQAXUITUDD-ZDUSSCGKSA-N 1 2 380.558 3.705 20 30 GHEDLO CCCCCCC[C@H](C)NC(=O)Nc1sc2c(c1C(N)=O)CC[N@H+](C)C2 ZINC001192920029 870773572 /nfs/dbraw/zinc/77/35/72/870773572.db2.gz OVIKTQAXUITUDD-ZDUSSCGKSA-N 1 2 380.558 3.705 20 30 GHEDLO N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1 ZINC000609112517 871208737 /nfs/dbraw/zinc/20/87/37/871208737.db2.gz FLEWYDYOHHFTBE-IBGZPJMESA-N 1 2 395.532 3.608 20 30 GHEDLO C[C@@H](CCc1cccc(F)c1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000463277241 871313705 /nfs/dbraw/zinc/31/37/05/871313705.db2.gz CDNDFVJOKPAHDK-SFHVURJKSA-N 1 2 379.479 3.610 20 30 GHEDLO CCCCCCCOC(=O)N1Cc2c[nH+]cn2C[C@@H](COc2ccccn2)C1 ZINC001194003193 871425893 /nfs/dbraw/zinc/42/58/93/871425893.db2.gz MZULBKPILAOGEY-SFHVURJKSA-N 1 2 386.496 3.896 20 30 GHEDLO C[C@@H](C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000462011729 871463429 /nfs/dbraw/zinc/46/34/29/871463429.db2.gz HSUYAZZSDHDFKA-QGZVFWFLSA-N 1 2 398.470 3.937 20 30 GHEDLO N#CCCN(CCC#N)C(=O)C[NH2+]C1(c2c(Cl)cccc2Cl)CCC1 ZINC000447384231 871510921 /nfs/dbraw/zinc/51/09/21/871510921.db2.gz MIMOICJWFIPECJ-UHFFFAOYSA-N 1 2 379.291 3.618 20 30 GHEDLO NC(=[NH+]OCc1nncn1-c1ccccc1)c1ccc(OCc2ccccc2)cc1 ZINC000766712786 871523206 /nfs/dbraw/zinc/52/32/06/871523206.db2.gz XCDWRIXJPUIUEE-UHFFFAOYSA-N 1 2 399.454 3.683 20 30 GHEDLO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000618753983 871952872 /nfs/dbraw/zinc/95/28/72/871952872.db2.gz MBVJJQORIHTDCA-LJQANCHMSA-N 1 2 387.443 3.643 20 30 GHEDLO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000775615575 871986385 /nfs/dbraw/zinc/98/63/85/871986385.db2.gz PIIVHJMCPHFSPE-APWZRJJASA-N 1 2 387.524 3.602 20 30 GHEDLO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000775615575 871986397 /nfs/dbraw/zinc/98/63/97/871986397.db2.gz PIIVHJMCPHFSPE-APWZRJJASA-N 1 2 387.524 3.602 20 30 GHEDLO Cc1cccnc1OC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000429721815 872011622 /nfs/dbraw/zinc/01/16/22/872011622.db2.gz HMOORFPOGPVPND-OAHLLOKOSA-N 1 2 398.894 3.786 20 30 GHEDLO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000618840815 872048953 /nfs/dbraw/zinc/04/89/53/872048953.db2.gz LTOPYELZISMKGJ-RJGXRXQPSA-N 1 2 397.482 3.970 20 30 GHEDLO Cc1ccc2[nH+]c(CSCC(=O)N[C@H]3CCc4cc(C#N)ccc43)cn2c1 ZINC000618893208 872116511 /nfs/dbraw/zinc/11/65/11/872116511.db2.gz YSKPUCGCCMJZIO-IBGZPJMESA-N 1 2 376.485 3.551 20 30 GHEDLO Cc1cc(C#N)cc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(Br)cc3)C2)c1 ZINC001195436814 872419518 /nfs/dbraw/zinc/41/95/18/872419518.db2.gz FMBQEXHJEIMMQG-IBGZPJMESA-N 1 2 398.304 3.634 20 30 GHEDLO Cc1cc(C#N)cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(Br)cc3)C2)c1 ZINC001195436814 872419527 /nfs/dbraw/zinc/41/95/27/872419527.db2.gz FMBQEXHJEIMMQG-IBGZPJMESA-N 1 2 398.304 3.634 20 30 GHEDLO C#C[C@@H]1CCC[N@@H+](CCOc2c(Br)cccc2Br)C1 ZINC001195559435 872502957 /nfs/dbraw/zinc/50/29/57/872502957.db2.gz SUQZSYHOQAURCN-GFCCVEGCSA-N 1 2 387.115 3.936 20 30 GHEDLO C#C[C@@H]1CCC[N@H+](CCOc2c(Br)cccc2Br)C1 ZINC001195559435 872502966 /nfs/dbraw/zinc/50/29/66/872502966.db2.gz SUQZSYHOQAURCN-GFCCVEGCSA-N 1 2 387.115 3.936 20 30 GHEDLO N#Cc1cccc(C[NH+]2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)c1 ZINC000022849620 872640980 /nfs/dbraw/zinc/64/09/80/872640980.db2.gz WMTZMUVZLNLVLZ-UHFFFAOYSA-N 1 2 393.878 3.579 20 30 GHEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000478206197 872690570 /nfs/dbraw/zinc/69/05/70/872690570.db2.gz LVECVSAAKYCIOO-UHFFFAOYSA-N 1 2 396.539 3.747 20 30 GHEDLO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1nnc(-c2sccc2C)o1 ZINC000152956637 873013213 /nfs/dbraw/zinc/01/32/13/873013213.db2.gz YPXKSTHKPZGHBY-UHFFFAOYSA-N 1 2 382.489 3.776 20 30 GHEDLO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1nnc(-c2sccc2C)o1 ZINC000152956637 873013233 /nfs/dbraw/zinc/01/32/33/873013233.db2.gz YPXKSTHKPZGHBY-UHFFFAOYSA-N 1 2 382.489 3.776 20 30 GHEDLO COc1cccc([C@@H]([NH2+]CC(=O)NC2(C#N)CCC2)c2ccccc2Cl)c1 ZINC000527367649 873063177 /nfs/dbraw/zinc/06/31/77/873063177.db2.gz YALKLNNIYLAEAF-HXUWFJFHSA-N 1 2 383.879 3.590 20 30 GHEDLO Cc1cc(Br)cc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1O ZINC000775745605 873419969 /nfs/dbraw/zinc/41/99/69/873419969.db2.gz YJHNELSZDPUPAT-GOSISDBHSA-N 1 2 387.277 3.908 20 30 GHEDLO Cc1cc(Br)cc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1O ZINC000775745605 873419973 /nfs/dbraw/zinc/41/99/73/873419973.db2.gz YJHNELSZDPUPAT-GOSISDBHSA-N 1 2 387.277 3.908 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@H+](Cc2ccccc2)[C@@H](CO)c2ccccc2)cc1 ZINC001196973348 873485707 /nfs/dbraw/zinc/48/57/07/873485707.db2.gz SZEGKJNKJBYCSU-QHCPKHFHSA-N 1 2 385.467 3.733 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@@H+](Cc2ccccc2)[C@@H](CO)c2ccccc2)cc1 ZINC001196973348 873485714 /nfs/dbraw/zinc/48/57/14/873485714.db2.gz SZEGKJNKJBYCSU-QHCPKHFHSA-N 1 2 385.467 3.733 20 30 GHEDLO Cc1ccccc1-c1nsc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000527827500 873638487 /nfs/dbraw/zinc/63/84/87/873638487.db2.gz BFAHIALVJNKTGG-UHFFFAOYSA-N 1 2 375.501 3.707 20 30 GHEDLO Cc1c[nH+]c2n1CCC21CCN(C(=O)c2ccc(-c3ccc(C#N)cc3)o2)CC1 ZINC001197393613 873763736 /nfs/dbraw/zinc/76/37/36/873763736.db2.gz NSELWRWYJJCVTL-UHFFFAOYSA-N 1 2 386.455 3.901 20 30 GHEDLO CCN(CC)c1ccc(C=[NH+]Nc2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)cc1F ZINC000769812302 874301894 /nfs/dbraw/zinc/30/18/94/874301894.db2.gz LVWWBXCBTUGUSY-UHFFFAOYSA-N 1 2 399.474 3.718 20 30 GHEDLO C[C@H]1C[C@H]1c1ccc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)o1 ZINC000508634492 882818263 /nfs/dbraw/zinc/81/82/63/882818263.db2.gz WCPZQZCDFQLZMP-GOEBONIOSA-N 1 2 378.432 3.845 20 30 GHEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000302754181 874393773 /nfs/dbraw/zinc/39/37/73/874393773.db2.gz ZXOXSRGGYCTZAY-UHFFFAOYSA-N 1 2 384.954 3.840 20 30 GHEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000302754181 874393791 /nfs/dbraw/zinc/39/37/91/874393791.db2.gz ZXOXSRGGYCTZAY-UHFFFAOYSA-N 1 2 384.954 3.840 20 30 GHEDLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2ccc(C)c(C)c2)nc1 ZINC001198597129 874507234 /nfs/dbraw/zinc/50/72/34/874507234.db2.gz QVFVQYULYAKUEX-JOCHJYFZSA-N 1 2 392.503 3.791 20 30 GHEDLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2ccc(C)c(C)c2)nc1 ZINC001198597129 874507238 /nfs/dbraw/zinc/50/72/38/874507238.db2.gz QVFVQYULYAKUEX-JOCHJYFZSA-N 1 2 392.503 3.791 20 30 GHEDLO COCCC1CC[NH+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000528576713 874731884 /nfs/dbraw/zinc/73/18/84/874731884.db2.gz YKVMZLSSIQYTHL-UHFFFAOYSA-N 1 2 375.538 3.576 20 30 GHEDLO C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000804457607 882872326 /nfs/dbraw/zinc/87/23/26/882872326.db2.gz AZXARGJFRWSNSQ-FGZHOGPDSA-N 1 2 378.541 3.527 20 30 GHEDLO CCC[NH+]1CCN(c2ccc(NC(=O)c3ccc(C#N)c(O)c3)cc2Cl)CC1 ZINC000785538851 876093840 /nfs/dbraw/zinc/09/38/40/876093840.db2.gz KOLJYRMNUFQLJX-UHFFFAOYSA-N 1 2 398.894 3.702 20 30 GHEDLO CN(CCC#N)c1ccc(C[NH2+][C@H](c2nccn2C)c2ccc(F)cc2)cc1 ZINC000030644520 876580298 /nfs/dbraw/zinc/58/02/98/876580298.db2.gz QKAIGXKSWNPTBR-NRFANRHFSA-N 1 2 377.467 3.788 20 30 GHEDLO CN(CCC#N)c1ccc(C[NH2+][C@@H](c2nccn2C)c2ccc(F)cc2)cc1 ZINC000030644524 876580530 /nfs/dbraw/zinc/58/05/30/876580530.db2.gz QKAIGXKSWNPTBR-OAQYLSRUSA-N 1 2 377.467 3.788 20 30 GHEDLO CCc1ccc(O[C@@H](C)C(=O)N2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000609916559 877181488 /nfs/dbraw/zinc/18/14/88/877181488.db2.gz RUOXRQRXGKLGNY-OALUTQOASA-N 1 2 391.515 3.793 20 30 GHEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC(Oc3cccc(C#N)c3)CC1)C2 ZINC000530281854 877442091 /nfs/dbraw/zinc/44/20/91/877442091.db2.gz PRMQERIUYUSKJJ-KRWDZBQOSA-N 1 2 392.503 3.580 20 30 GHEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC(Oc3cccc(C#N)c3)CC1)CC2 ZINC000530281854 877442100 /nfs/dbraw/zinc/44/21/00/877442100.db2.gz PRMQERIUYUSKJJ-KRWDZBQOSA-N 1 2 392.503 3.580 20 30 GHEDLO C[C@]1(c2ccc(Cl)c(Cl)c2)CC(=O)N(C[N@@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853524266 879085376 /nfs/dbraw/zinc/08/53/76/879085376.db2.gz LOVYOEJUFQVFQE-ORAYPTAESA-N 1 2 394.302 3.593 20 30 GHEDLO C[C@]1(c2ccc(Cl)c(Cl)c2)CC(=O)N(C[N@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853524266 879085390 /nfs/dbraw/zinc/08/53/90/879085390.db2.gz LOVYOEJUFQVFQE-ORAYPTAESA-N 1 2 394.302 3.593 20 30 GHEDLO C[C@@]1(c2ccc(Cl)c(Cl)c2)CC(=O)N(C[N@@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853524269 879085713 /nfs/dbraw/zinc/08/57/13/879085713.db2.gz LOVYOEJUFQVFQE-YJYMSZOUSA-N 1 2 394.302 3.593 20 30 GHEDLO C[C@@]1(c2ccc(Cl)c(Cl)c2)CC(=O)N(C[N@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000853524269 879085727 /nfs/dbraw/zinc/08/57/27/879085727.db2.gz LOVYOEJUFQVFQE-YJYMSZOUSA-N 1 2 394.302 3.593 20 30 GHEDLO CC(C)(C)n1cc(CO[NH+]=C(N)c2ccc(COc3ccccc3F)cc2)nn1 ZINC000853658139 879207326 /nfs/dbraw/zinc/20/73/26/879207326.db2.gz MSPBQWPNEVFXNI-UHFFFAOYSA-N 1 2 397.454 3.588 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)c1C ZINC000112543989 880010604 /nfs/dbraw/zinc/01/06/04/880010604.db2.gz GYKROKUGKCDMPD-SFHVURJKSA-N 1 2 389.540 3.710 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)c1C ZINC000112543989 880010621 /nfs/dbraw/zinc/01/06/21/880010621.db2.gz GYKROKUGKCDMPD-SFHVURJKSA-N 1 2 389.540 3.710 20 30 GHEDLO CC[C@H](C#N)Oc1cc(CNc2cc(N3CCCCC3)nc[nH+]2)ccc1OC ZINC000113248018 880465510 /nfs/dbraw/zinc/46/55/10/880465510.db2.gz ALQGKVUCVQNNDR-QGZVFWFLSA-N 1 2 381.480 3.769 20 30 GHEDLO CC[C@H](C#N)Oc1cc(CNc2cc(N3CCCCC3)[nH+]cn2)ccc1OC ZINC000113248018 880465527 /nfs/dbraw/zinc/46/55/27/880465527.db2.gz ALQGKVUCVQNNDR-QGZVFWFLSA-N 1 2 381.480 3.769 20 30 GHEDLO C#CCC1(O)CC[NH+](Cc2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC001183499212 912594182 /nfs/dbraw/zinc/59/41/82/912594182.db2.gz KMWBOAZDHNVHPU-UHFFFAOYSA-N 1 2 376.216 3.818 20 30 GHEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000792308850 881036513 /nfs/dbraw/zinc/03/65/13/881036513.db2.gz PDGNPLXBGDASHG-SFHVURJKSA-N 1 2 388.858 3.935 20 30 GHEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000792308850 881036529 /nfs/dbraw/zinc/03/65/29/881036529.db2.gz PDGNPLXBGDASHG-SFHVURJKSA-N 1 2 388.858 3.935 20 30 GHEDLO N#Cc1cnc2ccccc2c1N1CC[NH+]([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000610278242 883473229 /nfs/dbraw/zinc/47/32/29/883473229.db2.gz TVMMBZLPFDXFBY-OAQYLSRUSA-N 1 2 392.890 3.615 20 30 GHEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000804922992 883484152 /nfs/dbraw/zinc/48/41/52/883484152.db2.gz MRRIMOAOGYZITP-NRFANRHFSA-N 1 2 376.504 3.506 20 30 GHEDLO C#CC[C@H](Cc1ccccc1)NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000804922993 883484443 /nfs/dbraw/zinc/48/44/43/883484443.db2.gz MRRIMOAOGYZITP-OAQYLSRUSA-N 1 2 376.504 3.506 20 30 GHEDLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(C#N)cc1Br ZINC000805804531 884119257 /nfs/dbraw/zinc/11/92/57/884119257.db2.gz SNIZFNBYAWDNJW-LRDDRELGSA-N 1 2 394.313 3.808 20 30 GHEDLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(C#N)cc1Br ZINC000805804531 884119266 /nfs/dbraw/zinc/11/92/66/884119266.db2.gz SNIZFNBYAWDNJW-LRDDRELGSA-N 1 2 394.313 3.808 20 30 GHEDLO C=CCCOCC[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F ZINC000494967189 884300451 /nfs/dbraw/zinc/30/04/51/884300451.db2.gz GHRNEQWEPIUZDF-HXUWFJFHSA-N 1 2 395.471 3.640 20 30 GHEDLO C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N)c1cccc(N(C)C)c1 ZINC001183842197 912846605 /nfs/dbraw/zinc/84/66/05/912846605.db2.gz UDLPRACSWQJFPH-FDDCHVKYSA-N 1 2 390.531 3.856 20 30 GHEDLO C[C@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N)c1cccc(N(C)C)c1 ZINC001183842197 912846622 /nfs/dbraw/zinc/84/66/22/912846622.db2.gz UDLPRACSWQJFPH-FDDCHVKYSA-N 1 2 390.531 3.856 20 30 GHEDLO CC(C)CC1(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)CCOCC1 ZINC001183842491 912846980 /nfs/dbraw/zinc/84/69/80/912846980.db2.gz UZHJIMNQGUKLJC-NRFANRHFSA-N 1 2 383.536 3.624 20 30 GHEDLO CC(C)CC1(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)CCOCC1 ZINC001183842491 912847008 /nfs/dbraw/zinc/84/70/08/912847008.db2.gz UZHJIMNQGUKLJC-NRFANRHFSA-N 1 2 383.536 3.624 20 30 GHEDLO N#CC(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1)c1cnc2ccccc2n1 ZINC000860703501 884929775 /nfs/dbraw/zinc/92/97/75/884929775.db2.gz SIWWJVKLMFDUFN-PCCBWWKXSA-N 1 2 396.494 3.964 20 30 GHEDLO N#CC(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1)c1cnc2ccccc2n1 ZINC000860703501 884929790 /nfs/dbraw/zinc/92/97/90/884929790.db2.gz SIWWJVKLMFDUFN-PCCBWWKXSA-N 1 2 396.494 3.964 20 30 GHEDLO Cc1cc(C[NH+]2CCN(C(=O)c3ccc(Br)cc3)CC2)ccc1C#N ZINC000487879960 885142052 /nfs/dbraw/zinc/14/20/52/885142052.db2.gz RFUOWJZOEACAJG-UHFFFAOYSA-N 1 2 398.304 3.587 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)CCc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152402014 885233665 /nfs/dbraw/zinc/23/36/65/885233665.db2.gz BWYLROONVYDVAX-CTNGQTDRSA-N 1 2 385.870 3.845 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)CCc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152402014 885233683 /nfs/dbraw/zinc/23/36/83/885233683.db2.gz BWYLROONVYDVAX-CTNGQTDRSA-N 1 2 385.870 3.845 20 30 GHEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(Br)ccc1OC ZINC001275272855 912913868 /nfs/dbraw/zinc/91/38/68/912913868.db2.gz WBGVOJVFYGSBQL-IBGZPJMESA-N 1 2 393.325 3.601 20 30 GHEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Br)ccc1OC ZINC001275272855 912913876 /nfs/dbraw/zinc/91/38/76/912913876.db2.gz WBGVOJVFYGSBQL-IBGZPJMESA-N 1 2 393.325 3.601 20 30 GHEDLO C[N@H+](CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)Cc1ccc(C#N)cc1 ZINC000052581283 885342343 /nfs/dbraw/zinc/34/23/43/885342343.db2.gz XJCPQLQEFYTJNK-UHFFFAOYSA-N 1 2 394.475 3.815 20 30 GHEDLO C[N@@H+](CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)Cc1ccc(C#N)cc1 ZINC000052581283 885342366 /nfs/dbraw/zinc/34/23/66/885342366.db2.gz XJCPQLQEFYTJNK-UHFFFAOYSA-N 1 2 394.475 3.815 20 30 GHEDLO C=CCOc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1OC ZINC000302888529 885382348 /nfs/dbraw/zinc/38/23/48/885382348.db2.gz ALWXPZBYRWDZTA-JXMROGBWSA-N 1 2 392.499 3.731 20 30 GHEDLO CSc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801079 885438542 /nfs/dbraw/zinc/43/85/42/885438542.db2.gz VMWZADQUGWCFOR-QGZVFWFLSA-N 1 2 394.544 3.819 20 30 GHEDLO CSc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801079 885438548 /nfs/dbraw/zinc/43/85/48/885438548.db2.gz VMWZADQUGWCFOR-QGZVFWFLSA-N 1 2 394.544 3.819 20 30 GHEDLO COc1ccc(OC2CC[NH+](CC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)cc1 ZINC000532472969 885684030 /nfs/dbraw/zinc/68/40/30/885684030.db2.gz VEULOHNGHFYZDQ-UHFFFAOYSA-N 1 2 399.878 3.702 20 30 GHEDLO CC[NH+](CC)[C@@H](CNS(=O)(=O)CC1(C#N)CCCC1)c1ccccc1Cl ZINC000498909619 886082908 /nfs/dbraw/zinc/08/29/08/886082908.db2.gz MXOIGLKYJJBAQJ-SFHVURJKSA-N 1 2 397.972 3.726 20 30 GHEDLO C=CCn1c(SCc2cc[nH+]c(N(C)C)c2)nnc1-c1cccc(OC)c1 ZINC000762479990 886272695 /nfs/dbraw/zinc/27/26/95/886272695.db2.gz PLOPJFAHYDVRAF-UHFFFAOYSA-N 1 2 381.505 3.893 20 30 GHEDLO C=CCCC[N@@H+](C)Cn1nc([C@@H]2COc3ccccc3O2)n(CC=C)c1=S ZINC000119743622 887484031 /nfs/dbraw/zinc/48/40/31/887484031.db2.gz UEQQYLQFLDCNBY-SFHVURJKSA-N 1 2 386.521 3.968 20 30 GHEDLO C=CCCC[N@H+](C)Cn1nc([C@@H]2COc3ccccc3O2)n(CC=C)c1=S ZINC000119743622 887484039 /nfs/dbraw/zinc/48/40/39/887484039.db2.gz UEQQYLQFLDCNBY-SFHVURJKSA-N 1 2 386.521 3.968 20 30 GHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)OCCCOc1cccc(C#N)c1 ZINC000796002187 913160442 /nfs/dbraw/zinc/16/04/42/913160442.db2.gz ITYBZJZOPCBKMX-UHFFFAOYSA-N 1 2 385.370 3.507 20 30 GHEDLO COc1ccc(C[C@H]([NH3+])c2nc(-c3ccc(C#N)c4ccccc34)no2)c(O)c1 ZINC001211952217 887815433 /nfs/dbraw/zinc/81/54/33/887815433.db2.gz VAEDSZHFOQFFII-IBGZPJMESA-N 1 2 386.411 3.718 20 30 GHEDLO C[NH+](C)Cc1cnc(/C=C2\COc3ccc(Br)cc3C2=O)s1 ZINC000794697134 887879903 /nfs/dbraw/zinc/87/99/03/887879903.db2.gz IPYPJALZWSFICY-BJMVGYQFSA-N 1 2 379.279 3.626 20 30 GHEDLO Cc1nsc(N2CC[NH+](Cc3ccc(SC(F)F)cc3)CC2)c1C#N ZINC000810065082 888151716 /nfs/dbraw/zinc/15/17/16/888151716.db2.gz HLJHJMNPHSWOGH-UHFFFAOYSA-N 1 2 380.489 3.960 20 30 GHEDLO N#Cc1cccc(OCC[N@H+]2CCCC[C@@H]2c2nnc(CC(F)(F)F)o2)c1 ZINC000287264112 913222366 /nfs/dbraw/zinc/22/23/66/913222366.db2.gz HLGNSGDPJYYRSV-OAHLLOKOSA-N 1 2 380.370 3.652 20 30 GHEDLO N#Cc1cccc(OCC[N@@H+]2CCCC[C@@H]2c2nnc(CC(F)(F)F)o2)c1 ZINC000287264112 913222396 /nfs/dbraw/zinc/22/23/96/913222396.db2.gz HLGNSGDPJYYRSV-OAHLLOKOSA-N 1 2 380.370 3.652 20 30 GHEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@@H](C3CC3)C2)nc1[C@@H]1COc2ccccc2O1 ZINC000763330851 888505467 /nfs/dbraw/zinc/50/54/67/888505467.db2.gz FDQNFDRJINSDLZ-APWZRJJASA-N 1 2 398.532 3.802 20 30 GHEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@@H](C3CC3)C2)nc1[C@@H]1COc2ccccc2O1 ZINC000763330851 888505476 /nfs/dbraw/zinc/50/54/76/888505476.db2.gz FDQNFDRJINSDLZ-APWZRJJASA-N 1 2 398.532 3.802 20 30 GHEDLO Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCc1c[nH+]cn1C ZINC000475936390 888776896 /nfs/dbraw/zinc/77/68/96/888776896.db2.gz ZJFIOBIJVSBGBM-UHFFFAOYSA-N 1 2 376.435 3.905 20 30 GHEDLO CN(CCC#N)c1ccc(C=[NH+]NC(=S)NCCc2ccc(Cl)cc2)cc1 ZINC000916356900 888943430 /nfs/dbraw/zinc/94/34/30/888943430.db2.gz PFEYMSKHGYKTSQ-UHFFFAOYSA-N 1 2 399.951 3.731 20 30 GHEDLO C=CC[N@H+](CC(=O)N1CCc2[nH]c3ccccc3c2C1)Cc1cccc(C#N)c1 ZINC000063300205 889563349 /nfs/dbraw/zinc/56/33/49/889563349.db2.gz DFQZGJQSGVITSU-UHFFFAOYSA-N 1 2 384.483 3.612 20 30 GHEDLO C=CC[N@@H+](CC(=O)N1CCc2[nH]c3ccccc3c2C1)Cc1cccc(C#N)c1 ZINC000063300205 889563361 /nfs/dbraw/zinc/56/33/61/889563361.db2.gz DFQZGJQSGVITSU-UHFFFAOYSA-N 1 2 384.483 3.612 20 30 GHEDLO C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CC[NH+](CCCC#N)CC1 ZINC000125011314 889846394 /nfs/dbraw/zinc/84/63/94/889846394.db2.gz QNUBCWHXCODRMV-AWEZNQCLSA-N 1 2 393.413 3.738 20 30 GHEDLO C#C[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(Cl)cc1 ZINC000811867423 890062304 /nfs/dbraw/zinc/06/23/04/890062304.db2.gz NMZQTDWHNJRZCO-GOSISDBHSA-N 1 2 382.826 3.839 20 30 GHEDLO C#Cc1ccccc1CC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000811919200 890118032 /nfs/dbraw/zinc/11/80/32/890118032.db2.gz TUOYIQZWJBJNEV-UHFFFAOYSA-N 1 2 377.875 3.789 20 30 GHEDLO C#C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000812351961 890554413 /nfs/dbraw/zinc/55/44/13/890554413.db2.gz XHMQWHZWYRGBBO-INIZCTEOSA-N 1 2 380.791 3.538 20 30 GHEDLO S=C1N=NC(SCc2ccccc2)N1N=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000917028780 890760443 /nfs/dbraw/zinc/76/04/43/890760443.db2.gz KGFZPWKRWOOALM-UHFFFAOYSA-N 1 2 392.513 3.927 20 30 GHEDLO N#Cc1cccc([C@@H](O)C[N@@H+]2CCc3c(F)ccc(Br)c3C2)c1 ZINC001170711627 891929288 /nfs/dbraw/zinc/92/92/88/891929288.db2.gz OMGYJQCGRXDSDZ-SFHVURJKSA-N 1 2 375.241 3.552 20 30 GHEDLO N#Cc1cccc([C@@H](O)C[N@H+]2CCc3c(F)ccc(Br)c3C2)c1 ZINC001170711627 891929295 /nfs/dbraw/zinc/92/92/95/891929295.db2.gz OMGYJQCGRXDSDZ-SFHVURJKSA-N 1 2 375.241 3.552 20 30 GHEDLO N#Cc1ccc(Nc2cccc(C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)c2)cc1 ZINC000154542038 892637961 /nfs/dbraw/zinc/63/79/61/892637961.db2.gz LKIVKWPAVHZVKX-NRFANRHFSA-N 1 2 383.455 3.706 20 30 GHEDLO O=C(C[NH+]1CCC2(CC1)CC(=O)C=CO2)N(Cc1ccccc1)c1ccccc1 ZINC000933653190 893118502 /nfs/dbraw/zinc/11/85/02/893118502.db2.gz QVYHXRMWHIATTI-UHFFFAOYSA-N 1 2 390.483 3.558 20 30 GHEDLO N#CCc1ccc(NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)c(Cl)c1 ZINC000455743860 893149004 /nfs/dbraw/zinc/14/90/04/893149004.db2.gz DFAZMGHKFKYRAY-UHFFFAOYSA-N 1 2 398.894 3.635 20 30 GHEDLO CC(=O)[C@@](C#N)(CC[NH+]1CCN(C/C=C\c2ccccc2)CC1)c1ccccc1 ZINC000877948318 893909012 /nfs/dbraw/zinc/90/90/12/893909012.db2.gz SMBMGQAXAAMQOW-DIRLVWTMSA-N 1 2 387.527 3.758 20 30 GHEDLO CC(=O)[C@@](C#N)(CCN1CC[NH+](C/C=C\c2ccccc2)CC1)c1ccccc1 ZINC000877948318 893909024 /nfs/dbraw/zinc/90/90/24/893909024.db2.gz SMBMGQAXAAMQOW-DIRLVWTMSA-N 1 2 387.527 3.758 20 30 GHEDLO Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(Br)cc2C#N)no1 ZINC000879682031 895231072 /nfs/dbraw/zinc/23/10/72/895231072.db2.gz RMJJNVKGEBFKFF-FUCXHRTASA-N 1 2 387.281 3.923 20 30 GHEDLO Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc(Br)cc2C#N)no1 ZINC000879682031 895231081 /nfs/dbraw/zinc/23/10/81/895231081.db2.gz RMJJNVKGEBFKFF-FUCXHRTASA-N 1 2 387.281 3.923 20 30 GHEDLO C=CCOc1c(Br)cc(CN2CCn3c[nH+]cc3C2)cc1OCC ZINC000567529831 897228159 /nfs/dbraw/zinc/22/81/59/897228159.db2.gz KTRFNMNOIJMUCA-UHFFFAOYSA-N 1 2 392.297 3.625 20 30 GHEDLO C#CCCCOc1ccc[nH+]c1NCc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000820639756 897434952 /nfs/dbraw/zinc/43/49/52/897434952.db2.gz LWGYDHDYEBCPDP-HXUWFJFHSA-N 1 2 379.460 3.603 20 30 GHEDLO CC[N@@H+]1CC[C@@H](NC(=O)N2CCC(C)(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000331962033 899303530 /nfs/dbraw/zinc/30/35/30/899303530.db2.gz VFAHEXFACTUSBD-MSOLQXFVSA-N 1 2 392.906 3.950 20 30 GHEDLO CC[N@H+]1CC[C@@H](NC(=O)N2CCC(C)(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000331962033 899303543 /nfs/dbraw/zinc/30/35/43/899303543.db2.gz VFAHEXFACTUSBD-MSOLQXFVSA-N 1 2 392.906 3.950 20 30 GHEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1cccc(-c2ccc(Br)cc2)c1 ZINC000571278430 899812959 /nfs/dbraw/zinc/81/29/59/899812959.db2.gz XEBBHNZPRNDSBB-IBGZPJMESA-N 1 2 388.309 3.734 20 30 GHEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1cccc(-c2ccc(Br)cc2)c1 ZINC000571278430 899812962 /nfs/dbraw/zinc/81/29/62/899812962.db2.gz XEBBHNZPRNDSBB-IBGZPJMESA-N 1 2 388.309 3.734 20 30 GHEDLO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844370262 900735414 /nfs/dbraw/zinc/73/54/14/900735414.db2.gz PQSZEQXOEUJBKB-LIRRHRJNSA-N 1 2 396.878 3.912 20 30 GHEDLO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844370262 900735419 /nfs/dbraw/zinc/73/54/19/900735419.db2.gz PQSZEQXOEUJBKB-LIRRHRJNSA-N 1 2 396.878 3.912 20 30 GHEDLO C=CCC(C)(C)C(=O)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001144068228 901013579 /nfs/dbraw/zinc/01/35/79/901013579.db2.gz FAZBFDKQZCOHHP-CQSZACIVSA-N 1 2 392.297 3.599 20 30 GHEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)c(C#N)c1C ZINC000575006331 901083675 /nfs/dbraw/zinc/08/36/75/901083675.db2.gz WDXIIOXUHOWFSO-INIZCTEOSA-N 1 2 389.908 3.982 20 30 GHEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)c(C#N)c1C ZINC000575006331 901083689 /nfs/dbraw/zinc/08/36/89/901083689.db2.gz WDXIIOXUHOWFSO-INIZCTEOSA-N 1 2 389.908 3.982 20 30 GHEDLO N#CCOc1ccc(/C=C/C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1 ZINC000070728599 901152200 /nfs/dbraw/zinc/15/22/00/901152200.db2.gz ZAZCEBSTHHNDHP-RMKNXTFCSA-N 1 2 382.489 3.683 20 30 GHEDLO C=CCC1(O)CC[NH+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000886769527 901261929 /nfs/dbraw/zinc/26/19/29/901261929.db2.gz WOHCLVJVJKXENN-UHFFFAOYSA-N 1 2 376.806 3.700 20 30 GHEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000576030322 901605991 /nfs/dbraw/zinc/60/59/91/901605991.db2.gz VRZZQLABLXCSCN-SFHVURJKSA-N 1 2 380.517 3.505 20 30 GHEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000576030322 901605998 /nfs/dbraw/zinc/60/59/98/901605998.db2.gz VRZZQLABLXCSCN-SFHVURJKSA-N 1 2 380.517 3.505 20 30 GHEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1ccc(O)cc1C(F)(F)F)CCO2 ZINC001144385583 901971676 /nfs/dbraw/zinc/97/16/76/901971676.db2.gz ADXMUUQSGXHHRS-VQIMIIECSA-N 1 2 385.426 3.985 20 30 GHEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1ccc(O)cc1C(F)(F)F)CCO2 ZINC001144385583 901971687 /nfs/dbraw/zinc/97/16/87/901971687.db2.gz ADXMUUQSGXHHRS-VQIMIIECSA-N 1 2 385.426 3.985 20 30 GHEDLO COC(=O)c1cc2c(cncc2NC(=[NH2+])c2ccc3cc(O)ccc3c2)s1 ZINC001171184302 902180834 /nfs/dbraw/zinc/18/08/34/902180834.db2.gz JQWXQMJKJQAJFO-UHFFFAOYSA-N 1 2 377.425 3.979 20 30 GHEDLO CCc1sc(-c2nnc(C[N@@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)o2)cc1C ZINC000576806710 902274546 /nfs/dbraw/zinc/27/45/46/902274546.db2.gz MXDKLVBMSJAGSX-HNNXBMFYSA-N 1 2 395.488 3.589 20 30 GHEDLO CCc1sc(-c2nnc(C[N@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)o2)cc1C ZINC000576806710 902274556 /nfs/dbraw/zinc/27/45/56/902274556.db2.gz MXDKLVBMSJAGSX-HNNXBMFYSA-N 1 2 395.488 3.589 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000126763711 902364830 /nfs/dbraw/zinc/36/48/30/902364830.db2.gz HUIRIAFTAJECTF-XLIONFOSSA-N 1 2 395.528 3.778 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000126763711 902364840 /nfs/dbraw/zinc/36/48/40/902364840.db2.gz HUIRIAFTAJECTF-XLIONFOSSA-N 1 2 395.528 3.778 20 30 GHEDLO CC[C@H](CC#N)[NH2+]CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000577073392 902485762 /nfs/dbraw/zinc/48/57/62/902485762.db2.gz MTFMYCDTADRPMI-AEFFLSMTSA-N 1 2 384.867 3.893 20 30 GHEDLO N#Cc1ccc(Cc2cnc(NC(=O)N3CCC(n4cc[nH+]c4)CC3)s2)cc1 ZINC000263762644 902490191 /nfs/dbraw/zinc/49/01/91/902490191.db2.gz KNUXALKEJSAQKP-UHFFFAOYSA-N 1 2 392.488 3.671 20 30 GHEDLO CCOC(=O)[C@H]1c2ccc(OC)cc2CC[N@@H+]1[C@H](C)Cc1cccc(C#N)c1 ZINC001171234583 903082980 /nfs/dbraw/zinc/08/29/80/903082980.db2.gz VABMJCYLRBXQQW-OPAMFIHVSA-N 1 2 378.472 3.660 20 30 GHEDLO CCOC(=O)[C@H]1c2ccc(OC)cc2CC[N@H+]1[C@H](C)Cc1cccc(C#N)c1 ZINC001171234583 903082988 /nfs/dbraw/zinc/08/29/88/903082988.db2.gz VABMJCYLRBXQQW-OPAMFIHVSA-N 1 2 378.472 3.660 20 30 GHEDLO Cc1cn2cc(NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)ccc2[nH+]1 ZINC000846852249 903270974 /nfs/dbraw/zinc/27/09/74/903270974.db2.gz QILSEXNTTKDQSM-MRXNPFEDSA-N 1 2 385.468 3.559 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N(CCC#N)Cc3ccco3)n2)C1 ZINC000265208422 903719699 /nfs/dbraw/zinc/71/96/99/903719699.db2.gz TXWJQPPJPSBEMJ-OAHLLOKOSA-N 1 2 387.509 3.916 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N(CCC#N)Cc3ccco3)n2)C1 ZINC000265208422 903719711 /nfs/dbraw/zinc/71/97/11/903719711.db2.gz TXWJQPPJPSBEMJ-OAHLLOKOSA-N 1 2 387.509 3.916 20 30 GHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1C ZINC000578682969 904048305 /nfs/dbraw/zinc/04/83/05/904048305.db2.gz AUWGCDLAQLJTOZ-UNMCSNQZSA-N 1 2 381.520 3.584 20 30 GHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1C ZINC000578682969 904048319 /nfs/dbraw/zinc/04/83/19/904048319.db2.gz AUWGCDLAQLJTOZ-UNMCSNQZSA-N 1 2 381.520 3.584 20 30 GHEDLO COc1cc(N2CCN(C(=O)c3ccc(C(C)(C)CCC#N)cc3)CC2)cc[nH+]1 ZINC001148906760 904244791 /nfs/dbraw/zinc/24/47/91/904244791.db2.gz ZIIYPCCHROHVRT-UHFFFAOYSA-N 1 2 392.503 3.634 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+]2C[C@H](c3ccccc3)C[C@H]2C)c1=S ZINC000159865600 904246682 /nfs/dbraw/zinc/24/66/82/904246682.db2.gz SNNSIISOBFBWJL-SJLPKXTDSA-N 1 2 392.532 3.893 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+]2C[C@H](c3ccccc3)C[C@H]2C)c1=S ZINC000159865600 904246694 /nfs/dbraw/zinc/24/66/94/904246694.db2.gz SNNSIISOBFBWJL-SJLPKXTDSA-N 1 2 392.532 3.893 20 30 GHEDLO Cc1cc(Br)cn2c(/C=C3/C(=O)Nc4cc(C#N)ccc43)c[nH+]c12 ZINC000773158330 904504140 /nfs/dbraw/zinc/50/41/40/904504140.db2.gz BSJQSAMOVNXSTP-GIDUJCDVSA-N 1 2 379.217 3.770 20 30 GHEDLO C#CCOc1cccc(Cl)c1C[N@@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000779153614 904731370 /nfs/dbraw/zinc/73/13/70/904731370.db2.gz LAMXIGNMMLSIJT-UHFFFAOYSA-N 1 2 388.920 3.762 20 30 GHEDLO C#CCOc1cccc(Cl)c1C[N@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000779153614 904731381 /nfs/dbraw/zinc/73/13/81/904731381.db2.gz LAMXIGNMMLSIJT-UHFFFAOYSA-N 1 2 388.920 3.762 20 30 GHEDLO N#Cc1ccc(C2([NH2+]Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)CCC2)cc1 ZINC001171567984 904835400 /nfs/dbraw/zinc/83/54/00/904835400.db2.gz RPDPISIWPMLFAH-UHFFFAOYSA-N 1 2 375.388 3.685 20 30 GHEDLO C=CCCN(OCc1ccccc1)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000188486956 904928124 /nfs/dbraw/zinc/92/81/24/904928124.db2.gz GXPLMWRCVYBZQL-UHFFFAOYSA-N 1 2 396.491 3.768 20 30 GHEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC001171912289 905142884 /nfs/dbraw/zinc/14/28/84/905142884.db2.gz ZGEWLFSYORPDLO-MHJFOBGBSA-N 1 2 387.520 3.817 20 30 GHEDLO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCn2c(COc3cccnc3)cnc2[C@H]1C ZINC001172307523 905463692 /nfs/dbraw/zinc/46/36/92/905463692.db2.gz HQRQEIYQLKXHTH-ZWKOTPCHSA-N 1 2 387.487 3.737 20 30 GHEDLO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCn2c(COc3cccnc3)cnc2[C@H]1C ZINC001172307523 905463703 /nfs/dbraw/zinc/46/37/03/905463703.db2.gz HQRQEIYQLKXHTH-ZWKOTPCHSA-N 1 2 387.487 3.737 20 30 GHEDLO C=CCOC(=O)[C@@H](Cc1ccc(OC(C)(C)C)cc1)[NH2+][C@@H](C)CCOCC ZINC001172420649 905536555 /nfs/dbraw/zinc/53/65/55/905536555.db2.gz LZFQJJRIOTVNLG-FXAWDEMLSA-N 1 2 377.525 3.909 20 30 GHEDLO Cc1ccc(C[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C(C)C)s1 ZINC000299159117 921229037 /nfs/dbraw/zinc/22/90/37/921229037.db2.gz KDQFSBAOQKICRR-KRWDZBQOSA-N 1 2 394.500 3.792 20 30 GHEDLO Cc1ccc(C[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C(C)C)s1 ZINC000299159117 921229041 /nfs/dbraw/zinc/22/90/41/921229041.db2.gz KDQFSBAOQKICRR-KRWDZBQOSA-N 1 2 394.500 3.792 20 30 GHEDLO CC(C)(C)OC(=O)CC[C@H]([NH2+]C1CCC(CC#N)CC1)C(=O)OC(C)(C)C ZINC001173325288 906373933 /nfs/dbraw/zinc/37/39/33/906373933.db2.gz GPKBSCNAJLZIPX-JCYILVPMSA-N 1 2 380.529 3.881 20 30 GHEDLO CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3ccc(CC#N)cc3)c[nH+]2)CC1 ZINC001174454028 907059765 /nfs/dbraw/zinc/05/97/65/907059765.db2.gz ZPHCEDWJBWGOMA-UHFFFAOYSA-N 1 2 393.491 3.948 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)c1C#N ZINC000773410753 907230524 /nfs/dbraw/zinc/23/05/24/907230524.db2.gz UWTLVQSCGFPZDI-XMMPIXPASA-N 1 2 386.499 3.998 20 30 GHEDLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000366093782 921306067 /nfs/dbraw/zinc/30/60/67/921306067.db2.gz JASLBZOZXYDEMV-DNVCBOLYSA-N 1 2 397.548 3.756 20 30 GHEDLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000366093782 921306068 /nfs/dbraw/zinc/30/60/68/921306068.db2.gz JASLBZOZXYDEMV-DNVCBOLYSA-N 1 2 397.548 3.756 20 30 GHEDLO CN(C)c1ccc(Nc2c(C#N)cnn2-c2ccccc2Br)c[nH+]1 ZINC001175342638 907483713 /nfs/dbraw/zinc/48/37/13/907483713.db2.gz VMRPKHBFIGBGCO-UHFFFAOYSA-N 1 2 383.253 3.711 20 30 GHEDLO N#Cc1cc(F)cc(Nc2cncnc2[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC001175680422 907690262 /nfs/dbraw/zinc/69/02/62/907690262.db2.gz WHWKWEZUMUSARE-OAQYLSRUSA-N 1 2 389.434 3.804 20 30 GHEDLO N#Cc1cc(F)cc(Nc2cncnc2[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC001175680422 907690274 /nfs/dbraw/zinc/69/02/74/907690274.db2.gz WHWKWEZUMUSARE-OAQYLSRUSA-N 1 2 389.434 3.804 20 30 GHEDLO CC(C)(C)OC(=O)N1CCN(c2[nH+]cccc2Nc2ccc(F)c(C#N)c2)CC1 ZINC001176613982 908187246 /nfs/dbraw/zinc/18/72/46/908187246.db2.gz PHSNUSAOAJJPGX-UHFFFAOYSA-N 1 2 397.454 3.893 20 30 GHEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccccc1Sc1ccccc1C#N ZINC001178202736 908937666 /nfs/dbraw/zinc/93/76/66/908937666.db2.gz JSKKKGJFRHWGKB-SFHVURJKSA-N 1 2 395.528 3.550 20 30 GHEDLO C#CCCOc1ccc(C[NH2+][C@@H](C)c2nc(-c3ccccc3OC)no2)cc1 ZINC000266154198 909021849 /nfs/dbraw/zinc/02/18/49/909021849.db2.gz LJLGVTMLJSZMSR-INIZCTEOSA-N 1 2 377.444 3.998 20 30 GHEDLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NCc1ccc(F)cc1C(F)(F)F ZINC000635300085 909206978 /nfs/dbraw/zinc/20/69/78/909206978.db2.gz JFXUZRAHLOHCSI-LBPRGKRZSA-N 1 2 383.267 3.851 20 30 GHEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)cc1 ZINC000366340804 921516643 /nfs/dbraw/zinc/51/66/43/921516643.db2.gz QURYVHAFGSFUBP-FQEVSTJZSA-N 1 2 393.450 3.794 20 30 GHEDLO N#Cc1ccc(CN2CCC[N@H+](Cc3cnc([C@H]4CCCO4)s3)CC2)cc1 ZINC000271051430 910769137 /nfs/dbraw/zinc/76/91/37/910769137.db2.gz WLFIEVBYBUMJRS-HXUWFJFHSA-N 1 2 382.533 3.574 20 30 GHEDLO N#Cc1ccc(CN2CCC[N@@H+](Cc3cnc([C@H]4CCCO4)s3)CC2)cc1 ZINC000271051430 910769151 /nfs/dbraw/zinc/76/91/51/910769151.db2.gz WLFIEVBYBUMJRS-HXUWFJFHSA-N 1 2 382.533 3.574 20 30 GHEDLO C[N@H+](Cc1ccccc1)[C@H](C(=O)N(O)C(=N)c1ccccc1N)c1ccccc1 ZINC001182248094 911340538 /nfs/dbraw/zinc/34/05/38/911340538.db2.gz YGLLBPMSODTNMS-NRFANRHFSA-N 1 2 388.471 3.685 20 30 GHEDLO C[N@@H+](Cc1ccccc1)[C@H](C(=O)N(O)C(=N)c1ccccc1N)c1ccccc1 ZINC001182248094 911340557 /nfs/dbraw/zinc/34/05/57/911340557.db2.gz YGLLBPMSODTNMS-NRFANRHFSA-N 1 2 388.471 3.685 20 30 GHEDLO C=CCOc1ccc(C(=O)N2CC[NH+](Cc3cc(C)ccc3OC)CC2)cc1 ZINC000641986784 911646470 /nfs/dbraw/zinc/64/64/70/911646470.db2.gz SWYMZZLUHODACF-UHFFFAOYSA-N 1 2 380.488 3.526 20 30 GHEDLO COc1cccc([C@H](C)N2CC[NH+](Cc3ccc(O[C@H](C)C#N)cc3)CC2)c1 ZINC000093078612 912048174 /nfs/dbraw/zinc/04/81/74/912048174.db2.gz WCIMGDUQTANTDL-MOPGFXCFSA-N 1 2 379.504 3.865 20 30 GHEDLO N#Cc1c(N)sc(C[N@@H+]2CCC[C@]23CCN(CC2CCCC2)C3=O)c1Cl ZINC001275016104 912151938 /nfs/dbraw/zinc/15/19/38/912151938.db2.gz RFOWILCOMRCICG-LJQANCHMSA-N 1 2 392.956 3.612 20 30 GHEDLO N#Cc1c(N)sc(C[N@H+]2CCC[C@]23CCN(CC2CCCC2)C3=O)c1Cl ZINC001275016104 912151951 /nfs/dbraw/zinc/15/19/51/912151951.db2.gz RFOWILCOMRCICG-LJQANCHMSA-N 1 2 392.956 3.612 20 30 GHEDLO N#CCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1c(F)cc(Cl)cc1F)CC2 ZINC001275638047 915523753 /nfs/dbraw/zinc/52/37/53/915523753.db2.gz ZIMUVEWMKYHMPM-HNNXBMFYSA-N 1 2 381.854 3.640 20 30 GHEDLO CC(C)[C@@H]1C[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CCCO1 ZINC000293009965 915948684 /nfs/dbraw/zinc/94/86/84/915948684.db2.gz DOAXOPXLEUYLEC-WMZOPIPTSA-N 1 2 375.538 3.766 20 30 GHEDLO CC(C)[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CCCO1 ZINC000293009965 915948691 /nfs/dbraw/zinc/94/86/91/915948691.db2.gz DOAXOPXLEUYLEC-WMZOPIPTSA-N 1 2 375.538 3.766 20 30 GHEDLO C=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(c3cc[nH+]c(OC)c3)CC2)c1 ZINC001189269303 916526871 /nfs/dbraw/zinc/52/68/71/916526871.db2.gz WXXWQXSFVFCXCD-UHFFFAOYSA-N 1 2 394.519 3.890 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC([C@H](O)c3ccccc3C)CC2)c(C#N)c1C ZINC000796407514 916617056 /nfs/dbraw/zinc/61/70/56/916617056.db2.gz MBPXHHOPFFTEMA-KKSFZXQISA-N 1 2 395.503 3.849 20 30 GHEDLO CCCCCCCNC(=O)N1Cc2c[nH+]cn2C[C@H](COCc2ccccn2)C1 ZINC001191094412 917782181 /nfs/dbraw/zinc/78/21/81/917782181.db2.gz WWYFRVUNULQEQK-LJQANCHMSA-N 1 2 399.539 3.607 20 30 GHEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2sc(N3CCCCC3)nc2Cl)C1=O ZINC001275819115 917890518 /nfs/dbraw/zinc/89/05/18/917890518.db2.gz LBMLFLSLMYGWQY-LJQANCHMSA-N 1 2 394.972 3.540 20 30 GHEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2sc(N3CCCCC3)nc2Cl)C1=O ZINC001275819115 917890529 /nfs/dbraw/zinc/89/05/29/917890529.db2.gz LBMLFLSLMYGWQY-LJQANCHMSA-N 1 2 394.972 3.540 20 30 GHEDLO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C(=O)NC2CC2)c2ccc(F)cc2)c1 ZINC000113952405 919382161 /nfs/dbraw/zinc/38/21/61/919382161.db2.gz RLOUNXQFOAVJPU-TZIWHRDSSA-N 1 2 381.451 3.616 20 30 GHEDLO N#Cc1ccccc1COc1cccc(C[N@H+]2Cc3ccccc3C[C@H]2C(N)=O)c1 ZINC000119850011 919659760 /nfs/dbraw/zinc/65/97/60/919659760.db2.gz LLNYKXFPSPYWRO-DEOSSOPVSA-N 1 2 397.478 3.549 20 30 GHEDLO N#Cc1ccccc1COc1cccc(C[N@@H+]2Cc3ccccc3C[C@H]2C(N)=O)c1 ZINC000119850011 919659768 /nfs/dbraw/zinc/65/97/68/919659768.db2.gz LLNYKXFPSPYWRO-DEOSSOPVSA-N 1 2 397.478 3.549 20 30 GHEDLO Cc1ccc(C(=O)CCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000364874050 920129328 /nfs/dbraw/zinc/12/93/28/920129328.db2.gz WDVKNSQRZUZDDD-UHFFFAOYSA-N 1 2 389.499 3.633 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[C@@H](C(F)(F)F)C3)CC2)cc1 ZINC000298691676 920813069 /nfs/dbraw/zinc/81/30/69/920813069.db2.gz YYEWBLUUCNYVQW-QZTJIDSGSA-N 1 2 379.426 3.571 20 30 GHEDLO N#CC1(c2ccccn2)CC[NH+](Cc2cc(Br)cc3c2OCC3)CC1 ZINC000367243685 921996751 /nfs/dbraw/zinc/99/67/51/921996751.db2.gz LLNYHHVXJWLISX-UHFFFAOYSA-N 1 2 398.304 3.836 20 30 GHEDLO C=CC[N@@H+](CCc1ccco1)CN1Cc2c(cccc2Br)C1=O ZINC000802738815 922371615 /nfs/dbraw/zinc/37/16/15/922371615.db2.gz VWHFOBWSTMPTNT-UHFFFAOYSA-N 1 2 375.266 3.686 20 30 GHEDLO C=CC[N@H+](CCc1ccco1)CN1Cc2c(cccc2Br)C1=O ZINC000802738815 922371630 /nfs/dbraw/zinc/37/16/30/922371630.db2.gz VWHFOBWSTMPTNT-UHFFFAOYSA-N 1 2 375.266 3.686 20 30 GHEDLO Cc1cc(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2)nn1-c1cccc(C#N)c1 ZINC000780194307 923718866 /nfs/dbraw/zinc/71/88/66/923718866.db2.gz BUFQVRSVPSZHOA-UHFFFAOYSA-N 1 2 383.411 3.595 20 30 GHEDLO Cc1cccc2[nH+]cc(/C=C/C(=O)c3ccc(S(=O)(=O)C(F)F)cc3)n21 ZINC000749006471 923972281 /nfs/dbraw/zinc/97/22/81/923972281.db2.gz WLPKKYLWLFBEND-JXMROGBWSA-N 1 2 376.384 3.535 20 30 GHEDLO N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000373587023 926268671 /nfs/dbraw/zinc/26/86/71/926268671.db2.gz VGNLEMRCJZAOLO-SFHVURJKSA-N 1 2 386.455 3.729 20 30 GHEDLO CCc1ccc(NC(=O)[C@@H](C#N)C(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)cc1 ZINC000796636832 926381500 /nfs/dbraw/zinc/38/15/00/926381500.db2.gz RLABRMJBLTWLCO-HNNXBMFYSA-N 1 2 396.397 3.533 20 30 GHEDLO C[N@H+](CCC1(C#N)CCCCC1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000411441016 926399569 /nfs/dbraw/zinc/39/95/69/926399569.db2.gz IPDJACJHBMOONF-INIZCTEOSA-N 1 2 378.314 3.771 20 30 GHEDLO C[N@@H+](CCC1(C#N)CCCCC1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000411441016 926399579 /nfs/dbraw/zinc/39/95/79/926399579.db2.gz IPDJACJHBMOONF-INIZCTEOSA-N 1 2 378.314 3.771 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+](C)C[C@H]2OCCc3ccccc32)cc1C ZINC000725805990 926449282 /nfs/dbraw/zinc/44/92/82/926449282.db2.gz OAXJYNKEYXYKRK-HSZRJFAPSA-N 1 2 391.515 3.796 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+](C)C[C@H]2OCCc3ccccc32)cc1C ZINC000725805990 926449287 /nfs/dbraw/zinc/44/92/87/926449287.db2.gz OAXJYNKEYXYKRK-HSZRJFAPSA-N 1 2 391.515 3.796 20 30 GHEDLO N#Cc1ccc(NC(=S)NCc2ccccc2Cn2cc[nH+]c2)cc1Cl ZINC000726463885 926683366 /nfs/dbraw/zinc/68/33/66/926683366.db2.gz AUHXFDBKWVMPHD-UHFFFAOYSA-N 1 2 381.892 3.943 20 30 GHEDLO Cc1ccccc1C1(CN2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])CC1 ZINC000726631815 926773306 /nfs/dbraw/zinc/77/33/06/926773306.db2.gz DKJIZWUKBQAVHO-UHFFFAOYSA-N 1 2 386.499 3.686 20 30 GHEDLO C[C@H](NC(=O)[C@H](C)[NH+]1CCC(C#N)(c2ccccn2)CC1)c1ccc(Cl)cc1 ZINC000374292346 926989517 /nfs/dbraw/zinc/98/95/17/926989517.db2.gz NDOHWUVKDJGXFK-IRXDYDNUSA-N 1 2 396.922 3.858 20 30 GHEDLO CCC(C)(C)NC(=O)[C@H](C)O[NH+]=C(N)c1ccc(OCc2ccccc2)cc1 ZINC000749789843 927270821 /nfs/dbraw/zinc/27/08/21/927270821.db2.gz ACSFJKKFGDNYIT-INIZCTEOSA-N 1 2 383.492 3.596 20 30 GHEDLO Cc1ccc2c(C[NH+]3CCN([C@H](C#N)c4ccc(F)cc4)CC3)cc(=O)oc2c1 ZINC000750639186 927773016 /nfs/dbraw/zinc/77/30/16/927773016.db2.gz WEADMDKANNBQSH-OAQYLSRUSA-N 1 2 391.446 3.623 20 30 GHEDLO O=C(Nc1cccc(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)c1)c1ccc(Cl)cc1 ZINC000753936290 929601257 /nfs/dbraw/zinc/60/12/57/929601257.db2.gz RKNWCIASFRVFFC-RTBURBONSA-N 1 2 395.894 3.786 20 30 GHEDLO CC[NH+](CC)[C@@H](C(=O)OCC1(C#N)CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000780540052 930544577 /nfs/dbraw/zinc/54/45/77/930544577.db2.gz UTLPXOHKPJZBDR-QGZVFWFLSA-N 1 2 398.425 3.952 20 30 GHEDLO CC[C@H]1C[N@H+](CCNC(=O)c2ccccc2Sc2ccccc2C#N)CCO1 ZINC000470462873 930635338 /nfs/dbraw/zinc/63/53/38/930635338.db2.gz BQHMTSGPENDRLP-SFHVURJKSA-N 1 2 395.528 3.550 20 30 GHEDLO CC[C@H]1C[N@@H+](CCNC(=O)c2ccccc2Sc2ccccc2C#N)CCO1 ZINC000470462873 930635344 /nfs/dbraw/zinc/63/53/44/930635344.db2.gz BQHMTSGPENDRLP-SFHVURJKSA-N 1 2 395.528 3.550 20 30 GHEDLO COC(=O)c1ccc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cc1 ZINC000470999389 931085819 /nfs/dbraw/zinc/08/58/19/931085819.db2.gz AUJGGYRDRKIXIF-HXUWFJFHSA-N 1 2 383.879 3.509 20 30 GHEDLO CC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(C#N)c1O ZINC000924760982 931527662 /nfs/dbraw/zinc/52/76/62/931527662.db2.gz SFLMSSLDHITCOW-FQEVSTJZSA-N 1 2 383.467 3.605 20 30 GHEDLO C=CCS(=O)(=O)CC[NH2+][C@H](c1ccccc1)c1ccccc1Br ZINC000783532587 931573578 /nfs/dbraw/zinc/57/35/78/931573578.db2.gz SBZAPWAEIGIDAG-GOSISDBHSA-N 1 2 394.334 3.729 20 30 GHEDLO C=CCOc1ccccc1CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000558656960 932143862 /nfs/dbraw/zinc/14/38/62/932143862.db2.gz PHZXQZPJJUNLDH-IBGZPJMESA-N 1 2 394.519 3.873 20 30 GHEDLO Cc1cc(Br)ccc1C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000798275172 932589503 /nfs/dbraw/zinc/58/95/03/932589503.db2.gz OBGXJAFTDMTTTI-HOCLYGCPSA-N 1 2 394.313 3.606 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@H]1c1ccc(COC)o1 ZINC001121509031 934678821 /nfs/dbraw/zinc/67/88/21/934678821.db2.gz BNFOOUAZHLNSRX-ROUUACIJSA-N 1 2 385.512 3.702 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@H]1c1ccc(COC)o1 ZINC001121509031 934678827 /nfs/dbraw/zinc/67/88/27/934678827.db2.gz BNFOOUAZHLNSRX-ROUUACIJSA-N 1 2 385.512 3.702 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@H](c2ccccc2)C1 ZINC001121584309 934706909 /nfs/dbraw/zinc/70/69/09/934706909.db2.gz NKDUZNZBFKLFQJ-NRFANRHFSA-N 1 2 390.535 3.551 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCOC[C@H](C2CCC2)C1 ZINC001121690335 934740357 /nfs/dbraw/zinc/74/03/57/934740357.db2.gz NZDXGXJFXBNCQK-WOJBJXKFSA-N 1 2 398.555 3.549 20 30 GHEDLO CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1Cc2cccc(C#N)c2C1 ZINC001121705892 934743753 /nfs/dbraw/zinc/74/37/53/934743753.db2.gz ARXJKNVDUZJTKX-KRWDZBQOSA-N 1 2 386.503 3.883 20 30 GHEDLO CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1Cc2cccc(C#N)c2C1 ZINC001121705892 934743757 /nfs/dbraw/zinc/74/37/57/934743757.db2.gz ARXJKNVDUZJTKX-KRWDZBQOSA-N 1 2 386.503 3.883 20 30 GHEDLO C=C[C@@](C)(O)CC(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000562175632 934745124 /nfs/dbraw/zinc/74/51/24/934745124.db2.gz GZHWIGORGUPOOD-XZOQPEGZSA-N 1 2 398.934 3.901 20 30 GHEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931913694 934763299 /nfs/dbraw/zinc/76/32/99/934763299.db2.gz KZOLSHAEIJWLLF-OAHLLOKOSA-N 1 2 387.402 3.607 20 30 GHEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931913694 934763303 /nfs/dbraw/zinc/76/33/03/934763303.db2.gz KZOLSHAEIJWLLF-OAHLLOKOSA-N 1 2 387.402 3.607 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCCC[C@](O)(C(F)(F)F)C2)c(Br)c1 ZINC001137632506 935648591 /nfs/dbraw/zinc/64/85/91/935648591.db2.gz DVLXOZWXNSCBIH-CQSZACIVSA-N 1 2 377.204 3.600 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@](O)(C(F)(F)F)C2)c(Br)c1 ZINC001137632506 935648593 /nfs/dbraw/zinc/64/85/93/935648593.db2.gz DVLXOZWXNSCBIH-CQSZACIVSA-N 1 2 377.204 3.600 20 30 GHEDLO Cn1cc(Br)cc1C[N@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000468102764 1015266956 /nfs/dbraw/zinc/26/69/56/1015266956.db2.gz HOPRBXUFTHKOQY-UHFFFAOYSA-N 1 2 384.224 3.893 20 30 GHEDLO Cn1cc(Br)cc1C[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000468102764 1015266960 /nfs/dbraw/zinc/26/69/60/1015266960.db2.gz HOPRBXUFTHKOQY-UHFFFAOYSA-N 1 2 384.224 3.893 20 30 GHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCOCC3(CCC3)C2)c1C#N ZINC000545398017 1015840485 /nfs/dbraw/zinc/84/04/85/1015840485.db2.gz SUEQQJZKSJNKPS-UHFFFAOYSA-N 1 2 398.551 3.923 20 30 GHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCOCC3(CCC3)C2)c1C#N ZINC000545398017 1015840491 /nfs/dbraw/zinc/84/04/91/1015840491.db2.gz SUEQQJZKSJNKPS-UHFFFAOYSA-N 1 2 398.551 3.923 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC001227158738 1032298697 /nfs/dbraw/zinc/29/86/97/1032298697.db2.gz WZUVREFLMBTHSU-CQSZACIVSA-N 1 2 375.787 3.912 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC001227158738 1032298707 /nfs/dbraw/zinc/29/87/07/1032298707.db2.gz WZUVREFLMBTHSU-CQSZACIVSA-N 1 2 375.787 3.912 20 30 GHEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2cc(Br)c(C)cc2OC)C1=O ZINC001277189510 1032323754 /nfs/dbraw/zinc/32/37/54/1032323754.db2.gz PXGDHIHBKPOXGO-LJQANCHMSA-N 1 2 393.325 3.519 20 30 GHEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2cc(Br)c(C)cc2OC)C1=O ZINC001277189510 1032323773 /nfs/dbraw/zinc/32/37/73/1032323773.db2.gz PXGDHIHBKPOXGO-LJQANCHMSA-N 1 2 393.325 3.519 20 30 GHEDLO C=CCn1cc(C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2(OC)CCC2)nn1 ZINC000926614493 1017292775 /nfs/dbraw/zinc/29/27/75/1017292775.db2.gz LHAVWNGCOBMMBZ-KRWDZBQOSA-N 1 2 380.414 3.883 20 30 GHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)Cc3cc(C#N)cs3)n2)C1 ZINC000929331932 1017665591 /nfs/dbraw/zinc/66/55/91/1017665591.db2.gz MNEJGDSBMWTNSL-ZDUSSCGKSA-N 1 2 389.550 3.972 20 30 GHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)Cc3cc(C#N)cs3)n2)C1 ZINC000929331932 1017665594 /nfs/dbraw/zinc/66/55/94/1017665594.db2.gz MNEJGDSBMWTNSL-ZDUSSCGKSA-N 1 2 389.550 3.972 20 30 GHEDLO C[C@H](c1cnccn1)[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932941208 1018769745 /nfs/dbraw/zinc/76/97/45/1018769745.db2.gz BGWIBQZYPNYFFG-VGMNWLOBSA-N 1 2 375.263 3.640 20 30 GHEDLO FC1(F)[C@@H]2C[NH+](Cc3cn4ccccc4n3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932944346 1018773701 /nfs/dbraw/zinc/77/37/01/1018773701.db2.gz UJKHCHGCEGAKPQ-GHMZBOCLSA-N 1 2 399.285 3.937 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2c2cccnc2)cc1 ZINC000563829799 1018966497 /nfs/dbraw/zinc/96/64/97/1018966497.db2.gz MRSGKGKWIRTINK-OAQYLSRUSA-N 1 2 378.476 3.564 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2c2cccnc2)cc1 ZINC000563829799 1018966499 /nfs/dbraw/zinc/96/64/99/1018966499.db2.gz MRSGKGKWIRTINK-OAQYLSRUSA-N 1 2 378.476 3.564 20 30 GHEDLO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+]Cc3ccc(C#N)cc3C(F)(F)F)n2)c1 ZINC000565864861 1019206784 /nfs/dbraw/zinc/20/67/84/1019206784.db2.gz DGMJMIUSTMHSNM-LBPRGKRZSA-N 1 2 386.381 3.916 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C[C@@H]1C(F)(F)F ZINC001204373122 1032814511 /nfs/dbraw/zinc/81/45/11/1032814511.db2.gz NTEOHKBBLNAIBL-JKSUJKDBSA-N 1 2 383.414 3.836 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@@H]1C(F)(F)F ZINC001204373122 1032814524 /nfs/dbraw/zinc/81/45/24/1032814524.db2.gz NTEOHKBBLNAIBL-JKSUJKDBSA-N 1 2 383.414 3.836 20 30 GHEDLO COc1cc(C(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)ccc1C#N ZINC001156164738 1032908505 /nfs/dbraw/zinc/90/85/05/1032908505.db2.gz IACYCIIUPGMWNI-UHFFFAOYSA-N 1 2 394.862 3.759 20 30 GHEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3cc(F)ccc3Br)C2)CC1 ZINC001204538483 1032957553 /nfs/dbraw/zinc/95/75/53/1032957553.db2.gz VEQIZWZPDKPEOL-UHFFFAOYSA-N 1 2 397.288 3.809 20 30 GHEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1cnc(-c3cccc(F)c3)s1)CC2 ZINC001140417284 1021637532 /nfs/dbraw/zinc/63/75/32/1021637532.db2.gz DOZVMOOULLYNAS-UHFFFAOYSA-N 1 2 398.507 3.944 20 30 GHEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1cnc(-c3cccc(F)c3)s1)CC2 ZINC001140417284 1021637560 /nfs/dbraw/zinc/63/75/60/1021637560.db2.gz DOZVMOOULLYNAS-UHFFFAOYSA-N 1 2 398.507 3.944 20 30 GHEDLO C=CCN1CCC2(CC[NH+](Cc3cc(Cl)nc(C(F)(F)F)c3)CC2)C1=O ZINC001277315423 1032997757 /nfs/dbraw/zinc/99/77/57/1032997757.db2.gz JUELINRKAACYCO-UHFFFAOYSA-N 1 2 387.833 3.754 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(OCc4ccccc4)cc3)CC2)cn1 ZINC001140547550 1021949261 /nfs/dbraw/zinc/94/92/61/1021949261.db2.gz TXNQKVKBDCEFQL-UHFFFAOYSA-N 1 2 384.483 3.854 20 30 GHEDLO Cc1nc(NCc2cccc(C(=O)Nc3ccc(F)cc3OCC#N)c2)cc[nH+]1 ZINC000755493792 1023271379 /nfs/dbraw/zinc/27/13/79/1023271379.db2.gz FFVNHZVODHFPPJ-UHFFFAOYSA-N 1 2 391.406 3.691 20 30 GHEDLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141112936 1023529632 /nfs/dbraw/zinc/52/96/32/1023529632.db2.gz PZZSDHJUJFECTH-WDEREUQCSA-N 1 2 384.933 3.590 20 30 GHEDLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141112936 1023529640 /nfs/dbraw/zinc/52/96/40/1023529640.db2.gz PZZSDHJUJFECTH-WDEREUQCSA-N 1 2 384.933 3.590 20 30 GHEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(N2C(=O)OC[C@H]2c2ccccc2)CC1 ZINC001141164245 1023991022 /nfs/dbraw/zinc/99/10/22/1023991022.db2.gz RXZDHBUDRBMMMC-NRFANRHFSA-N 1 2 379.435 3.855 20 30 GHEDLO N#Cc1c(F)c(I)ccc1Nc1ccn2cc[nH+]c2c1 ZINC001204998390 1033200644 /nfs/dbraw/zinc/20/06/44/1033200644.db2.gz YJXIHTMXHAMQFK-UHFFFAOYSA-N 1 2 378.148 3.693 20 30 GHEDLO COc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC000831193535 1024414769 /nfs/dbraw/zinc/41/47/69/1024414769.db2.gz MTDSOEBYJCUNPD-MJGOQNOKSA-N 1 2 387.842 3.535 20 30 GHEDLO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC000831193535 1024414774 /nfs/dbraw/zinc/41/47/74/1024414774.db2.gz MTDSOEBYJCUNPD-MJGOQNOKSA-N 1 2 387.842 3.535 20 30 GHEDLO COC[C@@H]1C[N@H+](Cc2ccc(Oc3ccc(C#N)cc3)cc2)Cc2ncn(C)c21 ZINC001141291026 1024420114 /nfs/dbraw/zinc/42/01/14/1024420114.db2.gz BCGIBVPEDKSLRZ-IBGZPJMESA-N 1 2 388.471 3.830 20 30 GHEDLO COC[C@@H]1C[N@@H+](Cc2ccc(Oc3ccc(C#N)cc3)cc2)Cc2ncn(C)c21 ZINC001141291026 1024420122 /nfs/dbraw/zinc/42/01/22/1024420122.db2.gz BCGIBVPEDKSLRZ-IBGZPJMESA-N 1 2 388.471 3.830 20 30 GHEDLO CCOC[C@H]1C[N@H+](Cc2ccc(C#Cc3ccccc3)cc2)Cc2ncn(C)c21 ZINC001138335125 1024696557 /nfs/dbraw/zinc/69/65/57/1024696557.db2.gz GXRJSGPOCWLCLP-HSZRJFAPSA-N 1 2 385.511 3.956 20 30 GHEDLO CCOC[C@H]1C[N@@H+](Cc2ccc(C#Cc3ccccc3)cc2)Cc2ncn(C)c21 ZINC001138335125 1024696564 /nfs/dbraw/zinc/69/65/64/1024696564.db2.gz GXRJSGPOCWLCLP-HSZRJFAPSA-N 1 2 385.511 3.956 20 30 GHEDLO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000838898295 1025426643 /nfs/dbraw/zinc/42/66/43/1025426643.db2.gz YIJMEMZBHCDNNS-GDBMZVCRSA-N 1 2 388.468 3.592 20 30 GHEDLO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000838898295 1025426656 /nfs/dbraw/zinc/42/66/56/1025426656.db2.gz YIJMEMZBHCDNNS-GDBMZVCRSA-N 1 2 388.468 3.592 20 30 GHEDLO CCOc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)cc1OCC ZINC001138975781 1025698380 /nfs/dbraw/zinc/69/83/80/1025698380.db2.gz MUFJBKHDHDMQOF-UHFFFAOYSA-N 1 2 383.467 3.817 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+](Cc3nc(Br)oc3C)CC2)C1=O ZINC001276398248 1026083608 /nfs/dbraw/zinc/08/36/08/1026083608.db2.gz LDOIPBBDLMKZPH-SFHVURJKSA-N 1 2 396.329 3.526 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+](Cc3nc(Br)oc3C)CC2)C1=O ZINC001276398248 1026083633 /nfs/dbraw/zinc/08/36/33/1026083633.db2.gz LDOIPBBDLMKZPH-SFHVURJKSA-N 1 2 396.329 3.526 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@H](F)[C@](O)(C(F)(F)F)CC2)c1 ZINC001141654684 1026090010 /nfs/dbraw/zinc/09/00/10/1026090010.db2.gz GUOVNKPPHYOYAM-KBPBESRZSA-N 1 2 395.194 3.548 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@H+]2CC[C@H](F)[C@](O)(C(F)(F)F)CC2)c1 ZINC001141654684 1026090025 /nfs/dbraw/zinc/09/00/25/1026090025.db2.gz GUOVNKPPHYOYAM-KBPBESRZSA-N 1 2 395.194 3.548 20 30 GHEDLO C#CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000839600354 1026097579 /nfs/dbraw/zinc/09/75/79/1026097579.db2.gz AWACSCKIYHKCLB-HXUWFJFHSA-N 1 2 386.499 3.952 20 30 GHEDLO C#CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000839600354 1026097606 /nfs/dbraw/zinc/09/76/06/1026097606.db2.gz AWACSCKIYHKCLB-HXUWFJFHSA-N 1 2 386.499 3.952 20 30 GHEDLO N#Cc1ccc(Br)c(CN2CC[NH+](Cc3cccc(F)c3)CC2)c1 ZINC001141659634 1026136701 /nfs/dbraw/zinc/13/67/01/1026136701.db2.gz WAOFPJZUDOLLLU-UHFFFAOYSA-N 1 2 388.284 3.778 20 30 GHEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2c[nH]c3cccc(Br)c23)CC1 ZINC001139966167 1026768600 /nfs/dbraw/zinc/76/86/00/1026768600.db2.gz NZIJTRBEWFOAGB-UHFFFAOYSA-N 1 2 390.281 3.599 20 30 GHEDLO CCOC[C@@H]1C[N@H+](Cc2c[nH]c3ccc(C#N)cc23)Cc2c1cnn2CC1CC1 ZINC001140111622 1026891785 /nfs/dbraw/zinc/89/17/85/1026891785.db2.gz BBTLDSWRYGPSAW-IBGZPJMESA-N 1 2 389.503 3.782 20 30 GHEDLO CCOC[C@@H]1C[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)Cc2c1cnn2CC1CC1 ZINC001140111622 1026891797 /nfs/dbraw/zinc/89/17/97/1026891797.db2.gz BBTLDSWRYGPSAW-IBGZPJMESA-N 1 2 389.503 3.782 20 30 GHEDLO N#Cc1ccc2cc[nH+]c(N3CCCn4cnc(COc5cccnc5)c4C3)c2c1 ZINC001166233305 1026948803 /nfs/dbraw/zinc/94/88/03/1026948803.db2.gz GNPYKXFAAGLHJO-UHFFFAOYSA-N 1 2 396.454 3.687 20 30 GHEDLO CC(C)N1CC2(CC1=O)CC[NH+](Cc1ccc(Br)cc1C#N)CC2 ZINC001141818553 1027355315 /nfs/dbraw/zinc/35/53/15/1027355315.db2.gz JFSUONOQJJZUFJ-UHFFFAOYSA-N 1 2 390.325 3.544 20 30 GHEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(Cl)cc(Cl)c1Cl)CC2 ZINC001276683521 1027490831 /nfs/dbraw/zinc/49/08/31/1027490831.db2.gz LYSIKUIGXSSGAW-AWEZNQCLSA-N 1 2 385.722 3.998 20 30 GHEDLO CC(=O)N1CCCC[C@@]12CCC[N@H+](Cc1cc(Br)ccc1C#N)C2 ZINC001141900685 1027620956 /nfs/dbraw/zinc/62/09/56/1027620956.db2.gz BRNWFVSPLNFBAZ-IBGZPJMESA-N 1 2 390.325 3.688 20 30 GHEDLO CC(=O)N1CCCC[C@@]12CCC[N@@H+](Cc1cc(Br)ccc1C#N)C2 ZINC001141900685 1027620964 /nfs/dbraw/zinc/62/09/64/1027620964.db2.gz BRNWFVSPLNFBAZ-IBGZPJMESA-N 1 2 390.325 3.688 20 30 GHEDLO CSc1nc(C[N@@H+]2CC[C@H]3C[C@H](c4nc(C)cs4)O[C@@H]3C2)ccc1C#N ZINC001141934775 1027700288 /nfs/dbraw/zinc/70/02/88/1027700288.db2.gz XSQWVQQUVUJTDH-IAOVAPTHSA-N 1 2 386.546 3.792 20 30 GHEDLO CSc1nc(C[N@H+]2CC[C@H]3C[C@H](c4nc(C)cs4)O[C@@H]3C2)ccc1C#N ZINC001141934775 1027700294 /nfs/dbraw/zinc/70/02/94/1027700294.db2.gz XSQWVQQUVUJTDH-IAOVAPTHSA-N 1 2 386.546 3.792 20 30 GHEDLO N#Cc1ccc(OC[C@@H](O)Cn2c3ccccc3[nH+]c2NCc2ccccc2)cc1 ZINC000301313589 1028281922 /nfs/dbraw/zinc/28/19/22/1028281922.db2.gz FXFUDDRIBVVCAD-FQEVSTJZSA-N 1 2 398.466 3.960 20 30 GHEDLO CC(C)(C)OC(=O)N1CCN(c2[nH+]cccc2Nc2cc(C#N)ccc2F)CC1 ZINC001214592983 1028810488 /nfs/dbraw/zinc/81/04/88/1028810488.db2.gz XMUZEGMZNICZNQ-UHFFFAOYSA-N 1 2 397.454 3.893 20 30 GHEDLO C#CC[C@H]1CCC[N@@H+](Cn2nc(COc3ccccc3)n(CC=C)c2=S)C1 ZINC000842630179 1029434815 /nfs/dbraw/zinc/43/48/15/1029434815.db2.gz ZCTUGYGIUYXDEF-SFHVURJKSA-N 1 2 382.533 3.872 20 30 GHEDLO C#CC[C@H]1CCC[N@H+](Cn2nc(COc3ccccc3)n(CC=C)c2=S)C1 ZINC000842630179 1029434826 /nfs/dbraw/zinc/43/48/26/1029434826.db2.gz ZCTUGYGIUYXDEF-SFHVURJKSA-N 1 2 382.533 3.872 20 30 GHEDLO CC(C)(C)OC(=O)NC[C@@]1(C)CCC[N@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143178719 1029885199 /nfs/dbraw/zinc/88/51/99/1029885199.db2.gz LDTSSGKGJLAKBT-HXUWFJFHSA-N 1 2 379.451 3.963 20 30 GHEDLO CC(C)(C)OC(=O)NC[C@@]1(C)CCC[N@@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143178719 1029885205 /nfs/dbraw/zinc/88/52/05/1029885205.db2.gz LDTSSGKGJLAKBT-HXUWFJFHSA-N 1 2 379.451 3.963 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2ccc(OC)c(Cl)c2OC)C1=O ZINC001276860015 1030389660 /nfs/dbraw/zinc/38/96/60/1030389660.db2.gz CRGQETVOCFPKKF-FQEVSTJZSA-N 1 2 378.900 3.500 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(OC)c(Cl)c2OC)C1=O ZINC001276860015 1030389674 /nfs/dbraw/zinc/38/96/74/1030389674.db2.gz CRGQETVOCFPKKF-FQEVSTJZSA-N 1 2 378.900 3.500 20 30 GHEDLO CNc1[nH]c2cc(-c3nc(-c4ccc(Br)cc4C#N)no3)ccc2[nH+]1 ZINC001217629089 1030551043 /nfs/dbraw/zinc/55/10/43/1030551043.db2.gz LCXXEMBETGWKHP-UHFFFAOYSA-N 1 2 395.220 3.956 20 30 GHEDLO COc1cc(O[C@H]2CC[NH2+]CC2(F)F)ccc1/C=C/C(=O)c1ccc(O)cc1 ZINC001218009149 1030719617 /nfs/dbraw/zinc/71/96/17/1030719617.db2.gz FUPLXDTXSLUPKJ-MRSBXDGLSA-N 1 2 389.398 3.673 20 30 GHEDLO C=CCN1CCC2(CC[NH+](Cc3nc(Cl)ccc3C(F)(F)F)CC2)C1=O ZINC001276922681 1030766837 /nfs/dbraw/zinc/76/68/37/1030766837.db2.gz MNAYWAWMOVDJGJ-UHFFFAOYSA-N 1 2 387.833 3.754 20 30 GHEDLO N#Cc1cc(C[N@H+]2CCC[C@@]23CCN(CCC(F)(F)F)C3=O)ccc1Cl ZINC001277084476 1031701103 /nfs/dbraw/zinc/70/11/03/1031701103.db2.gz ZKMDYELXMHXSAO-KRWDZBQOSA-N 1 2 385.817 3.731 20 30 GHEDLO N#Cc1cc(C[N@@H+]2CCC[C@@]23CCN(CCC(F)(F)F)C3=O)ccc1Cl ZINC001277084476 1031701122 /nfs/dbraw/zinc/70/11/22/1031701122.db2.gz ZKMDYELXMHXSAO-KRWDZBQOSA-N 1 2 385.817 3.731 20 30 GHEDLO N#Cc1ccc(Br)c(O[C@H]2COCC[N@H+](Cc3ccccc3)C2)c1 ZINC001229232237 1033356629 /nfs/dbraw/zinc/35/66/29/1033356629.db2.gz YLHLRVZWMYQFFM-QGZVFWFLSA-N 1 2 387.277 3.601 20 30 GHEDLO N#Cc1ccc(Br)c(O[C@H]2COCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001229232237 1033356647 /nfs/dbraw/zinc/35/66/47/1033356647.db2.gz YLHLRVZWMYQFFM-QGZVFWFLSA-N 1 2 387.277 3.601 20 30 GHEDLO C=CC[N@H+](Cc1cc(C)cc(OC)c1O)[C@H](Cc1ccccc1)C(=O)OCC ZINC001205411835 1033399994 /nfs/dbraw/zinc/39/99/94/1033399994.db2.gz PVSCKCOPLSYKPH-HXUWFJFHSA-N 1 2 383.488 3.872 20 30 GHEDLO C=CC[N@@H+](Cc1cc(C)cc(OC)c1O)[C@H](Cc1ccccc1)C(=O)OCC ZINC001205411835 1033400018 /nfs/dbraw/zinc/40/00/18/1033400018.db2.gz PVSCKCOPLSYKPH-HXUWFJFHSA-N 1 2 383.488 3.872 20 30 GHEDLO C=C[C@]1(C)CC[C@H](Oc2nc(=O)[nH]c(CN3CCCC3=[NH2+])c2Cl)C(C)(C)O1 ZINC001230093613 1033895565 /nfs/dbraw/zinc/89/55/65/1033895565.db2.gz VQWIHRBYYOXUQG-ORAYPTAESA-N 1 2 394.903 3.690 20 30 GHEDLO CCCCCCC/C=C/CN1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001208118492 1034746225 /nfs/dbraw/zinc/74/62/25/1034746225.db2.gz JLZGFVDMONBXEQ-CMDGGOBGSA-N 1 2 383.540 3.611 20 30 GHEDLO CCOC(=O)c1cc2c(NC(=[NH2+])c3ccc4ccccc4n3)[nH]c(C)c(C)c-2n1 ZINC001159899129 1034780446 /nfs/dbraw/zinc/78/04/46/1034780446.db2.gz DGIZQSJMOOTGQQ-UHFFFAOYSA-N 1 2 387.443 3.942 20 30 GHEDLO COc1cc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c(Br)cc1OC(C)=O ZINC001231686910 1034837214 /nfs/dbraw/zinc/83/72/14/1034837214.db2.gz CTYQIAXYRQWJOM-XMQYKBBCSA-N 1 2 393.281 3.650 20 30 GHEDLO COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c(Br)cc1OC(C)=O ZINC001231686910 1034837223 /nfs/dbraw/zinc/83/72/23/1034837223.db2.gz CTYQIAXYRQWJOM-XMQYKBBCSA-N 1 2 393.281 3.650 20 30 GHEDLO COCCOc1ccc(N2CC[NH+](Cc3ccc(C#N)c(Cl)c3)CC2)cc1 ZINC001232115925 1035104689 /nfs/dbraw/zinc/10/46/89/1035104689.db2.gz DMLJDSGMLASICV-UHFFFAOYSA-N 1 2 385.895 3.559 20 30 GHEDLO CC(C)(C)OC(=O)n1ccc(-c2cccc([NH+]=C(NO)c3ccccc3N)c2)n1 ZINC001248641395 1036021722 /nfs/dbraw/zinc/02/17/22/1036021722.db2.gz PHHZHETZPJNWPA-UHFFFAOYSA-N 1 2 393.447 3.973 20 30 GHEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Br)c(CC)s2)C1 ZINC001232289071 1038022674 /nfs/dbraw/zinc/02/26/74/1038022674.db2.gz HBGVCEWYJMGEFW-GFCCVEGCSA-N 1 2 387.343 3.950 20 30 GHEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Br)c(CC)s2)C1 ZINC001232289071 1038022695 /nfs/dbraw/zinc/02/26/95/1038022695.db2.gz HBGVCEWYJMGEFW-GFCCVEGCSA-N 1 2 387.343 3.950 20 30 GHEDLO C=CC[C@]1(C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)CCCN1C(=O)OC(C)(C)C ZINC001462261651 1070129864 /nfs/dbraw/zinc/12/98/64/1070129864.db2.gz ZGGLRVJIWSNVLC-WMZHIEFXSA-N 1 2 399.535 3.635 20 30 GHEDLO C=CC[C@]1(C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)CCCN1C(=O)OC(C)(C)C ZINC001462261651 1070129872 /nfs/dbraw/zinc/12/98/72/1070129872.db2.gz ZGGLRVJIWSNVLC-WMZHIEFXSA-N 1 2 399.535 3.635 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccc(Cl)cc1C#N)C2 ZINC001232609440 1038394200 /nfs/dbraw/zinc/39/42/00/1038394200.db2.gz DSYRKWVKICNFJF-JLVBRIDZSA-N 1 2 375.900 3.947 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccc(Cl)cc1C#N)C2 ZINC001232609440 1038394207 /nfs/dbraw/zinc/39/42/07/1038394207.db2.gz DSYRKWVKICNFJF-JLVBRIDZSA-N 1 2 375.900 3.947 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@H](F)[C@]2(CC[N@H+](Cc3cc(F)ccc3C#N)C2)C1 ZINC001232889994 1038675406 /nfs/dbraw/zinc/67/54/06/1038675406.db2.gz WJUQFEDJGRSPAB-RXVVDRJESA-N 1 2 391.462 3.868 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@H](F)[C@]2(CC[N@@H+](Cc3cc(F)ccc3C#N)C2)C1 ZINC001232889994 1038675413 /nfs/dbraw/zinc/67/54/13/1038675413.db2.gz WJUQFEDJGRSPAB-RXVVDRJESA-N 1 2 391.462 3.868 20 30 GHEDLO N#Cc1cc(C[N@@H+]2CC[C@@H](F)[C@](O)(C(F)(F)F)CC2)ccc1Br ZINC001232894391 1038686770 /nfs/dbraw/zinc/68/67/70/1038686770.db2.gz ZALKWSOVPOYKPB-KGLIPLIRSA-N 1 2 395.194 3.548 20 30 GHEDLO N#Cc1cc(C[N@H+]2CC[C@@H](F)[C@](O)(C(F)(F)F)CC2)ccc1Br ZINC001232894391 1038686773 /nfs/dbraw/zinc/68/67/73/1038686773.db2.gz ZALKWSOVPOYKPB-KGLIPLIRSA-N 1 2 395.194 3.548 20 30 GHEDLO COC(=O)c1ccc(C2C[NH+](Cc3ccc(Br)c(C#N)c3)C2)cc1 ZINC001232897926 1038692841 /nfs/dbraw/zinc/69/28/41/1038692841.db2.gz PHPSFBGFYNDBFV-UHFFFAOYSA-N 1 2 385.261 3.707 20 30 GHEDLO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cn4c(cccc4Cl)n3)C2)C1 ZINC001233549504 1039431616 /nfs/dbraw/zinc/43/16/16/1039431616.db2.gz AYZUIKQAIOPMEO-HXUWFJFHSA-N 1 2 388.899 3.598 20 30 GHEDLO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](Cc3cn4c(cccc4Cl)n3)C2)C1 ZINC001233549504 1039431622 /nfs/dbraw/zinc/43/16/22/1039431622.db2.gz AYZUIKQAIOPMEO-HXUWFJFHSA-N 1 2 388.899 3.598 20 30 GHEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc(C)cc2OCc2ccccc2)CC1 ZINC001233647285 1039506682 /nfs/dbraw/zinc/50/66/82/1039506682.db2.gz ZRSHOYQTAXQHLX-UHFFFAOYSA-N 1 2 378.472 3.853 20 30 GHEDLO Cc1cc(Br)sc1C[N@@H+]1CCC[C@]12CCN(CCCC#N)C2=O ZINC001277840404 1039929247 /nfs/dbraw/zinc/92/92/47/1039929247.db2.gz FDXJQVSGRKTAMK-QGZVFWFLSA-N 1 2 396.354 3.690 20 30 GHEDLO Cc1cc(Br)sc1C[N@H+]1CCC[C@]12CCN(CCCC#N)C2=O ZINC001277840404 1039929251 /nfs/dbraw/zinc/92/92/51/1039929251.db2.gz FDXJQVSGRKTAMK-QGZVFWFLSA-N 1 2 396.354 3.690 20 30 GHEDLO CCCCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(C#N)c(Br)c2)C1=O ZINC001277867322 1040148628 /nfs/dbraw/zinc/14/86/28/1040148628.db2.gz BUOMDTPZNAXWSB-LJQANCHMSA-N 1 2 390.325 3.688 20 30 GHEDLO CCCCN1CC[C@]2(CCC[N@H+]2Cc2ccc(C#N)c(Br)c2)C1=O ZINC001277867322 1040148641 /nfs/dbraw/zinc/14/86/41/1040148641.db2.gz BUOMDTPZNAXWSB-LJQANCHMSA-N 1 2 390.325 3.688 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(Oc2cccnc2)cc1 ZINC001235113898 1040602704 /nfs/dbraw/zinc/60/27/04/1040602704.db2.gz CRJDHQGPXZRYTJ-JOCHJYFZSA-N 1 2 390.487 3.909 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(Oc2cccnc2)cc1 ZINC001235113898 1040602732 /nfs/dbraw/zinc/60/27/32/1040602732.db2.gz CRJDHQGPXZRYTJ-JOCHJYFZSA-N 1 2 390.487 3.909 20 30 GHEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1cccc(Br)c1C)CC2 ZINC001236608450 1041779277 /nfs/dbraw/zinc/77/92/77/1041779277.db2.gz APRDXSVLEZJHCR-UHFFFAOYSA-N 1 2 390.325 3.752 20 30 GHEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1cccc(Br)c1C)CC2 ZINC001236608450 1041779284 /nfs/dbraw/zinc/77/92/84/1041779284.db2.gz APRDXSVLEZJHCR-UHFFFAOYSA-N 1 2 390.325 3.752 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1ccnc2c(Cl)cccc12 ZINC001237147611 1042064911 /nfs/dbraw/zinc/06/49/11/1042064911.db2.gz IHSBCNLZKNPUOU-IBGZPJMESA-N 1 2 382.895 3.924 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccnc2c(Cl)cccc12 ZINC001237147611 1042064920 /nfs/dbraw/zinc/06/49/20/1042064920.db2.gz IHSBCNLZKNPUOU-IBGZPJMESA-N 1 2 382.895 3.924 20 30 GHEDLO CCOC(=O)c1nc(C[N@@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)sc1C ZINC001237238812 1042101930 /nfs/dbraw/zinc/10/19/30/1042101930.db2.gz BCFPEXFOPCVNES-QGZVFWFLSA-N 1 2 385.489 3.543 20 30 GHEDLO CCOC(=O)c1nc(C[N@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)sc1C ZINC001237238812 1042101933 /nfs/dbraw/zinc/10/19/33/1042101933.db2.gz BCFPEXFOPCVNES-QGZVFWFLSA-N 1 2 385.489 3.543 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@@H]2C[N@H+](Cc3cc(C#N)c(F)cc3F)C[C@@H]21 ZINC001237529115 1042252758 /nfs/dbraw/zinc/25/27/58/1042252758.db2.gz WLTVIFRHVVWNMG-ACJLOTCBSA-N 1 2 377.435 3.668 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@@H]2C[N@@H+](Cc3cc(C#N)c(F)cc3F)C[C@@H]21 ZINC001237529115 1042252761 /nfs/dbraw/zinc/25/27/61/1042252761.db2.gz WLTVIFRHVVWNMG-ACJLOTCBSA-N 1 2 377.435 3.668 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc4ncnc(Cl)c4c3)CC2)c(F)c1 ZINC001237589018 1042274951 /nfs/dbraw/zinc/27/49/51/1042274951.db2.gz SHCJTVKYQSLENS-UHFFFAOYSA-N 1 2 381.842 3.616 20 30 GHEDLO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cc(F)cc(Cl)c3O)C2)C1 ZINC001237808731 1042379898 /nfs/dbraw/zinc/37/98/98/1042379898.db2.gz WDASJSNBIRAANN-IBGZPJMESA-N 1 2 382.863 3.795 20 30 GHEDLO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](Cc3cc(F)cc(Cl)c3O)C2)C1 ZINC001237808731 1042379901 /nfs/dbraw/zinc/37/99/01/1042379901.db2.gz WDASJSNBIRAANN-IBGZPJMESA-N 1 2 382.863 3.795 20 30 GHEDLO COc1ccc(C(F)(F)F)c(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC001238051059 1042474364 /nfs/dbraw/zinc/47/43/64/1042474364.db2.gz CUTWOGZFONMIPL-UHFFFAOYSA-N 1 2 375.394 3.908 20 30 GHEDLO N#Cc1ccc(C[N@H+]2Cc3cncn3C[C@H](COc3ccccn3)C2)c(Cl)c1 ZINC001238082605 1042485601 /nfs/dbraw/zinc/48/56/01/1042485601.db2.gz KERLLROYVFYYSP-QGZVFWFLSA-N 1 2 393.878 3.514 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2Cc3cncn3C[C@H](COc3ccccn3)C2)c(Cl)c1 ZINC001238082605 1042485608 /nfs/dbraw/zinc/48/56/08/1042485608.db2.gz KERLLROYVFYYSP-QGZVFWFLSA-N 1 2 393.878 3.514 20 30 GHEDLO N#Cc1ccc(C[N@H+]2Cc3cncn3C[C@H](COc3cccnc3)C2)c(Cl)c1 ZINC001238082933 1042485844 /nfs/dbraw/zinc/48/58/44/1042485844.db2.gz NOZCMHLNQHJABX-QGZVFWFLSA-N 1 2 393.878 3.514 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2Cc3cncn3C[C@H](COc3cccnc3)C2)c(Cl)c1 ZINC001238082933 1042485845 /nfs/dbraw/zinc/48/58/45/1042485845.db2.gz NOZCMHLNQHJABX-QGZVFWFLSA-N 1 2 393.878 3.514 20 30 GHEDLO COc1cc(CCC#N)c(-c2ccc(OCC[NH+]3CCOCC3)cc2)cc1OC ZINC001240450498 1042930990 /nfs/dbraw/zinc/93/09/90/1042930990.db2.gz ZYDNPIQPEZNIBV-UHFFFAOYSA-N 1 2 396.487 3.538 20 30 GHEDLO N#CC(C#N)c1nc2ccccc2nc1-c1ccc(C2([NH+]3CCOCC3)CC2)cc1 ZINC001240853937 1042959408 /nfs/dbraw/zinc/95/94/08/1042959408.db2.gz VVMBOMCVYMXTER-UHFFFAOYSA-N 1 2 395.466 3.749 20 30 GHEDLO COc1cc(C#N)ccc1C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001292922177 1043948480 /nfs/dbraw/zinc/94/84/80/1043948480.db2.gz WWIQDDTWMQMOJZ-UHFFFAOYSA-N 1 2 389.459 3.681 20 30 GHEDLO CC(C)(C)OC(=O)N1CCCC2(CCC([NH2+]C3(C#N)CCOCC3)CC2)C1 ZINC001257768098 1044157421 /nfs/dbraw/zinc/15/74/21/1044157421.db2.gz HJANGKJBMCMXBH-UHFFFAOYSA-N 1 2 377.529 3.609 20 30 GHEDLO CCCCCCCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001297626008 1045591901 /nfs/dbraw/zinc/59/19/01/1045591901.db2.gz ZDERWPBYGRKMPO-LJQANCHMSA-N 1 2 395.588 3.891 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N(C)C[C@@H](C)c1nccs1 ZINC001262981038 1046466533 /nfs/dbraw/zinc/46/65/33/1046466533.db2.gz XWTAGPJPXRIUGR-IAGOWNOFSA-N 1 2 399.568 3.993 20 30 GHEDLO C=CCN(Cc1ccccc1)c1nnc(C)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001301347347 1046504142 /nfs/dbraw/zinc/50/41/42/1046504142.db2.gz VEXWJXIXHSRDJX-UHFFFAOYSA-N 1 2 388.519 3.823 20 30 GHEDLO C[C@@H]1CCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2Cc2ccccc2)[C@H]1C ZINC001263161314 1046601370 /nfs/dbraw/zinc/60/13/70/1046601370.db2.gz BQHQIPGLPOWCTN-MOPGFXCFSA-N 1 2 392.551 3.654 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC[C@@H](COC)C1 ZINC001263305024 1046702399 /nfs/dbraw/zinc/70/23/99/1046702399.db2.gz PFTYFHUIWOOJLE-RTBURBONSA-N 1 2 386.544 3.549 20 30 GHEDLO CC(C)Cn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@](F)(C#N)C1 ZINC001263418069 1046800570 /nfs/dbraw/zinc/80/05/70/1046800570.db2.gz VBZUMUGMTRDZLH-UTKZUKDTSA-N 1 2 384.503 3.569 20 30 GHEDLO CC(C)Cn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@](F)(C#N)C1 ZINC001263418069 1046800587 /nfs/dbraw/zinc/80/05/87/1046800587.db2.gz VBZUMUGMTRDZLH-UTKZUKDTSA-N 1 2 384.503 3.569 20 30 GHEDLO N#Cc1ccc([C@H]2CN(C(=O)[C@H]3CC[C@@H](Nc4cccc[nH+]4)CC3)CCO2)cc1 ZINC001304192956 1047609940 /nfs/dbraw/zinc/60/99/40/1047609940.db2.gz BVGNPKPLHAEJSK-QHAWAJNXSA-N 1 2 390.487 3.524 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCCC3(CN(Cc4ccc[nH]4)C3)C2)cc1Br ZINC001279671265 1047909097 /nfs/dbraw/zinc/90/90/97/1047909097.db2.gz ORTQHPBFGOJMTF-UHFFFAOYSA-N 1 2 399.336 3.747 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCCC3(CN(Cc4ccc[nH]4)C3)C2)cc1Br ZINC001279671265 1047909098 /nfs/dbraw/zinc/90/90/98/1047909098.db2.gz ORTQHPBFGOJMTF-UHFFFAOYSA-N 1 2 399.336 3.747 20 30 GHEDLO C=C(C)CN(CC)c1nnc([C@H]2CCCO2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001286582597 1048376542 /nfs/dbraw/zinc/37/65/42/1048376542.db2.gz AGDYQABYONEFDM-QZTJIDSGSA-N 1 2 384.528 3.615 20 30 GHEDLO C=CCN(CCc1ccco1)c1nnc(C(C)C)n1Cc1c[nH+]ccc1OC ZINC001286763823 1048515887 /nfs/dbraw/zinc/51/58/87/1048515887.db2.gz VKQVENGCMMNBMS-UHFFFAOYSA-N 1 2 381.480 3.682 20 30 GHEDLO CC(C)(C)c1nnc(N(CCC#N)CC2CC2)n1CCc1cn2ccccc2[nH+]1 ZINC001286997107 1048566230 /nfs/dbraw/zinc/56/62/30/1048566230.db2.gz RQIPWYNZUBNEND-UHFFFAOYSA-N 1 2 391.523 3.596 20 30 GHEDLO C#CC[N@@H+](CC(=O)Nc1sc(C)cc1C(=O)OCC)[C@@H]1CCc2ccccc21 ZINC001307431293 1049269294 /nfs/dbraw/zinc/26/92/94/1049269294.db2.gz WGFQSBQBMBWDPK-LJQANCHMSA-N 1 2 396.512 3.794 20 30 GHEDLO C#CC[N@H+](CC(=O)Nc1sc(C)cc1C(=O)OCC)[C@@H]1CCc2ccccc21 ZINC001307431293 1049269310 /nfs/dbraw/zinc/26/93/10/1049269310.db2.gz WGFQSBQBMBWDPK-LJQANCHMSA-N 1 2 396.512 3.794 20 30 GHEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](Cc2cnc(-c3ccccc3)o2)CC1 ZINC001307674171 1049495137 /nfs/dbraw/zinc/49/51/37/1049495137.db2.gz CLVAGLDUKVVVTI-OAQYLSRUSA-N 1 2 376.435 3.863 20 30 GHEDLO C=CC[N@@H+](CCN1CCc2ccccc21)[C@H](Cc1ccccc1)C(=O)OCC ZINC001307683138 1049503784 /nfs/dbraw/zinc/50/37/84/1049503784.db2.gz ASURSGQLAIMREM-HSZRJFAPSA-N 1 2 378.516 3.712 20 30 GHEDLO C=CC[N@H+](CCN1CCc2ccccc21)[C@H](Cc1ccccc1)C(=O)OCC ZINC001307683138 1049503797 /nfs/dbraw/zinc/50/37/97/1049503797.db2.gz ASURSGQLAIMREM-HSZRJFAPSA-N 1 2 378.516 3.712 20 30 GHEDLO N#Cc1cccc([C@H](O)C[N@@H+]2CCc3cc(Br)c(F)cc3C2)c1 ZINC001308120691 1049865085 /nfs/dbraw/zinc/86/50/85/1049865085.db2.gz HTXXGWXJNIZKAU-GOSISDBHSA-N 1 2 375.241 3.552 20 30 GHEDLO N#Cc1cccc([C@H](O)C[N@H+]2CCc3cc(Br)c(F)cc3C2)c1 ZINC001308120691 1049865095 /nfs/dbraw/zinc/86/50/95/1049865095.db2.gz HTXXGWXJNIZKAU-GOSISDBHSA-N 1 2 375.241 3.552 20 30 GHEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1 ZINC001308730725 1050074540 /nfs/dbraw/zinc/07/45/40/1050074540.db2.gz FCYBURXQQNZSSO-UHFFFAOYSA-N 1 2 398.507 3.512 20 30 GHEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1 ZINC001308730725 1050074545 /nfs/dbraw/zinc/07/45/45/1050074545.db2.gz FCYBURXQQNZSSO-UHFFFAOYSA-N 1 2 398.507 3.512 20 30 GHEDLO C=CCCc1ccc(S(=O)(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC001309341099 1050610904 /nfs/dbraw/zinc/61/09/04/1050610904.db2.gz VZAVOGCIIGMIGT-UHFFFAOYSA-N 1 2 387.549 3.883 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@H](Nc2ccccc2)C1 ZINC001339528331 1050894185 /nfs/dbraw/zinc/89/41/85/1050894185.db2.gz IWDNLYWNPNTOMT-PMACEKPBSA-N 1 2 380.540 3.702 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@H](Nc2ccccc2)C1 ZINC001339528331 1050894203 /nfs/dbraw/zinc/89/42/03/1050894203.db2.gz IWDNLYWNPNTOMT-PMACEKPBSA-N 1 2 380.540 3.702 20 30 GHEDLO N#Cc1ccc(CNC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)c(F)c1 ZINC001311894978 1052462692 /nfs/dbraw/zinc/46/26/92/1052462692.db2.gz LAGZSCVBRMTOIR-UHFFFAOYSA-N 1 2 383.814 3.536 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC(C2CCC2)CC1 ZINC001342306561 1053093687 /nfs/dbraw/zinc/09/36/87/1053093687.db2.gz RHDVRCNSECLRII-UHFFFAOYSA-N 1 2 382.556 3.574 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 ZINC001342329009 1053110373 /nfs/dbraw/zinc/11/03/73/1053110373.db2.gz MFHQDPSKODYUKC-UXHICEINSA-N 1 2 399.514 3.728 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 ZINC001342329009 1053110379 /nfs/dbraw/zinc/11/03/79/1053110379.db2.gz MFHQDPSKODYUKC-UXHICEINSA-N 1 2 399.514 3.728 20 30 GHEDLO C=CCn1c(-c2ccc(CC#N)cc2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001342352330 1053125028 /nfs/dbraw/zinc/12/50/28/1053125028.db2.gz UIWLDMLYZJCLKR-UHFFFAOYSA-N 1 2 399.502 3.673 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC[C@@H]1c1ccc(COC)o1 ZINC001343456542 1053782592 /nfs/dbraw/zinc/78/25/92/1053782592.db2.gz GUGWSSQMZWQJKB-QZTJIDSGSA-N 1 2 385.512 3.702 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC[C@@H]1c1ccc(COC)o1 ZINC001343456542 1053782600 /nfs/dbraw/zinc/78/26/00/1053782600.db2.gz GUGWSSQMZWQJKB-QZTJIDSGSA-N 1 2 385.512 3.702 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC(C)(C#N)CC1 ZINC001343494970 1053810754 /nfs/dbraw/zinc/81/07/54/1053810754.db2.gz KWXPMNDGYLDFBW-GOSISDBHSA-N 1 2 381.528 3.816 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N(C)C[C@@H]1CCOC1 ZINC001343553384 1053871420 /nfs/dbraw/zinc/87/14/20/1053871420.db2.gz HDDXEVDHAYDLPS-ICSRJNTNSA-N 1 2 383.540 3.520 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N(C)C[C@@H]1CCOC1 ZINC001343553384 1053871428 /nfs/dbraw/zinc/87/14/28/1053871428.db2.gz HDDXEVDHAYDLPS-ICSRJNTNSA-N 1 2 383.540 3.520 20 30 GHEDLO CCC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12 ZINC001318785277 1054873551 /nfs/dbraw/zinc/87/35/51/1054873551.db2.gz OXMZQIJLAOHNLL-FQEVSTJZSA-N 1 2 381.476 3.545 20 30 GHEDLO CCC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12 ZINC001318785277 1054873557 /nfs/dbraw/zinc/87/35/57/1054873557.db2.gz OXMZQIJLAOHNLL-FQEVSTJZSA-N 1 2 381.476 3.545 20 30 GHEDLO Cc1cc(-n2cc[nH+]c2)ccc1CSCC(=O)NCc1ccc(C#N)cc1 ZINC001320702352 1055934416 /nfs/dbraw/zinc/93/44/16/1055934416.db2.gz SFJZUISCAJWSQN-UHFFFAOYSA-N 1 2 376.485 3.602 20 30 GHEDLO C=CCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C1 ZINC001320899744 1056005930 /nfs/dbraw/zinc/00/59/30/1056005930.db2.gz WIEPQFPIVYPABH-JSGCOSHPSA-N 1 2 393.459 3.692 20 30 GHEDLO C=CCO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C1 ZINC001320899744 1056005937 /nfs/dbraw/zinc/00/59/37/1056005937.db2.gz WIEPQFPIVYPABH-JSGCOSHPSA-N 1 2 393.459 3.692 20 30 GHEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N(C)Cc1ccccn1 ZINC001356074369 1057379385 /nfs/dbraw/zinc/37/93/85/1057379385.db2.gz HORMRAOROBVPSR-GOSISDBHSA-N 1 2 376.508 3.689 20 30 GHEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N(C)Cc1ccccn1 ZINC001356074369 1057379394 /nfs/dbraw/zinc/37/93/94/1057379394.db2.gz HORMRAOROBVPSR-GOSISDBHSA-N 1 2 376.508 3.689 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC001356209997 1057430271 /nfs/dbraw/zinc/43/02/71/1057430271.db2.gz FQCXWRJJKAQFII-DAYGRLMNSA-N 1 2 383.462 3.790 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC001356209997 1057430276 /nfs/dbraw/zinc/43/02/76/1057430276.db2.gz FQCXWRJJKAQFII-DAYGRLMNSA-N 1 2 383.462 3.790 20 30 GHEDLO CC[C@@H]1c2ccsc2CCN1c1nnc(C2CC[NH+](CCC#N)CC2)n1CC ZINC001356378673 1057494475 /nfs/dbraw/zinc/49/44/75/1057494475.db2.gz OEUCGOPLAAVKKL-GOSISDBHSA-N 1 2 398.580 3.966 20 30 GHEDLO Cn1c([C@@H]2CCCC[N@@H+]2Cc2ccccc2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001338394765 1058545257 /nfs/dbraw/zinc/54/52/57/1058545257.db2.gz LJKKMBXJSRXLEV-UGKGYDQZSA-N 1 2 378.524 3.672 20 30 GHEDLO Cn1c([C@@H]2CCCC[N@H+]2Cc2ccccc2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001338394765 1058545280 /nfs/dbraw/zinc/54/52/80/1058545280.db2.gz LJKKMBXJSRXLEV-UGKGYDQZSA-N 1 2 378.524 3.672 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@H](C)C2(CCC2)C1 ZINC001338996293 1058919133 /nfs/dbraw/zinc/91/91/33/1058919133.db2.gz YMMKFDAWIDUKAS-SFHVURJKSA-N 1 2 382.556 3.574 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC[C@H](C2CCOCC2)C1 ZINC001339024038 1058928997 /nfs/dbraw/zinc/92/89/97/1058928997.db2.gz VBDBHCKFQBPACO-VQTJNVASSA-N 1 2 398.555 3.549 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@H]1[C@@H](C)c1ccccc1 ZINC001339094338 1058956938 /nfs/dbraw/zinc/95/69/38/1058956938.db2.gz FEKJZPUOTKCSFZ-HKUYNNGSSA-N 1 2 376.508 3.561 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2Cc2ccccc2)nnc1N1C[C@H](C)C[C@@H]1C ZINC001339210710 1059013204 /nfs/dbraw/zinc/01/32/04/1059013204.db2.gz KQRWMSGCWIHYAL-MSOLQXFVSA-N 1 2 376.508 3.534 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CC=C(c2ccccc2Cl)CC1 ZINC001339212330 1059013681 /nfs/dbraw/zinc/01/36/81/1059013681.db2.gz UUCHPIMIIQHKDZ-UHFFFAOYSA-N 1 2 394.910 3.736 20 30 GHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(C(C#N)(CC)CC)n1C ZINC001339515402 1059269292 /nfs/dbraw/zinc/26/92/92/1059269292.db2.gz KASAJBCIODNTGV-UHFFFAOYSA-N 1 2 395.555 3.534 20 30 GHEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCC[C@@H]1c1ccccc1 ZINC001340195219 1059755199 /nfs/dbraw/zinc/75/51/99/1059755199.db2.gz ITIZBSOCUSQBDJ-HBMCJLEFSA-N 1 2 393.535 3.731 20 30 GHEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCC[C@@H]1c1ccccc1 ZINC001340195219 1059755209 /nfs/dbraw/zinc/75/52/09/1059755209.db2.gz ITIZBSOCUSQBDJ-HBMCJLEFSA-N 1 2 393.535 3.731 20 30 GHEDLO CCn1c(-c2ccc(CC#N)cc2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001340993684 1060315916 /nfs/dbraw/zinc/31/59/16/1060315916.db2.gz TWLJLYXESGWKJW-UHFFFAOYSA-N 1 2 387.491 3.507 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(Cc1cccs1)C1CC1 ZINC001341034571 1060345539 /nfs/dbraw/zinc/34/55/39/1060345539.db2.gz CMQZBSWNFCBHIU-UHFFFAOYSA-N 1 2 384.553 3.622 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)[C@@H](C)c1ccc(F)cc1 ZINC001341034553 1060345810 /nfs/dbraw/zinc/34/58/10/1060345810.db2.gz CAOFHWFIMVFMAA-INIZCTEOSA-N 1 2 384.503 3.728 20 30 GHEDLO O=C(C#Cc1ccc(C(F)(F)F)cc1)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC001452070589 1060895510 /nfs/dbraw/zinc/89/55/10/1060895510.db2.gz UMSVLWUHFADVAB-UHFFFAOYSA-N 1 2 384.401 3.544 20 30 GHEDLO O=C(C#Cc1ccc(C(F)(F)F)cc1)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC001452070589 1060895529 /nfs/dbraw/zinc/89/55/29/1060895529.db2.gz UMSVLWUHFADVAB-UHFFFAOYSA-N 1 2 384.401 3.544 20 30 GHEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1Cc2ccccc2[C@H]1CC ZINC001342018210 1060997665 /nfs/dbraw/zinc/99/76/65/1060997665.db2.gz BJTJPNCVJVKZDC-WOJBJXKFSA-N 1 2 381.524 3.717 20 30 GHEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1Cc2ccccc2[C@H]1CC ZINC001342018210 1060997667 /nfs/dbraw/zinc/99/76/67/1060997667.db2.gz BJTJPNCVJVKZDC-WOJBJXKFSA-N 1 2 381.524 3.717 20 30 GHEDLO C[C@H](NC(=O)c1cccc(C#N)c1Br)c1ccc(-n2cc[nH+]c2)cc1 ZINC001457714010 1063325532 /nfs/dbraw/zinc/32/55/32/1063325532.db2.gz WUYPAYJOFDOYAW-ZDUSSCGKSA-N 1 2 395.260 3.997 20 30 GHEDLO C#CCSCC(=O)N1CC[N@@H+](Cc2ccc(Cl)cc2)C[C@H]1CC(C)C ZINC001436521571 1063502282 /nfs/dbraw/zinc/50/22/82/1063502282.db2.gz SDXHOAGIRBAAOT-LJQANCHMSA-N 1 2 378.969 3.765 20 30 GHEDLO C#CCSCC(=O)N1CC[N@H+](Cc2ccc(Cl)cc2)C[C@H]1CC(C)C ZINC001436521571 1063502298 /nfs/dbraw/zinc/50/22/98/1063502298.db2.gz SDXHOAGIRBAAOT-LJQANCHMSA-N 1 2 378.969 3.765 20 30 GHEDLO C#CC[C@@H](CC)c1nnc(N2CCC(Nc3cccc[nH+]3)CC2)n1CC1CC1 ZINC001349075408 1063530465 /nfs/dbraw/zinc/53/04/65/1063530465.db2.gz WRJZAKRZLMGLQT-GOSISDBHSA-N 1 2 378.524 3.681 20 30 GHEDLO CCc1ccc(C[NH+]2CCN(C(=O)C(C)(C)c3cc(F)cc(C#N)c3)CC2)cc1 ZINC001438882945 1064131775 /nfs/dbraw/zinc/13/17/75/1064131775.db2.gz GDQINZVJTQHARL-UHFFFAOYSA-N 1 2 393.506 3.882 20 30 GHEDLO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1nc(-c2nc[nH]n2)no1 ZINC001459931101 1064280930 /nfs/dbraw/zinc/28/09/30/1064280930.db2.gz HYAGPYWZHSRJSE-UONOGXRCSA-N 1 2 385.431 3.805 20 30 GHEDLO COC(=O)c1cc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)ccc1C ZINC001460046494 1064371916 /nfs/dbraw/zinc/37/19/16/1064371916.db2.gz NJEFOGPSVSNXHQ-OAQYLSRUSA-N 1 2 397.906 3.818 20 30 GHEDLO N#C[C@@H](NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Br)cc1 ZINC001464019102 1064771960 /nfs/dbraw/zinc/77/19/60/1064771960.db2.gz ZPYRGRZUXDXWBP-GOSISDBHSA-N 1 2 395.260 3.558 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1C[C@@H]2CC[C@H]1c1ccccc12 ZINC001352494521 1065080180 /nfs/dbraw/zinc/08/01/80/1065080180.db2.gz IKDONTQSBPNCAF-RXVVDRJESA-N 1 2 390.535 3.830 20 30 GHEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC001465609784 1065744120 /nfs/dbraw/zinc/74/41/20/1065744120.db2.gz GCYATNXWYFTLOA-KRWDZBQOSA-N 1 2 394.475 3.535 20 30 GHEDLO C#C[C@@H](C)N(C)c1nnc(C2CCCC2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001300302764 1065956966 /nfs/dbraw/zinc/95/69/66/1065956966.db2.gz DQUIYHRPDQPEAC-QGZVFWFLSA-N 1 2 380.540 3.683 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2CC2CC(c3ccccc3)C2)CC1 ZINC001359028769 1067658532 /nfs/dbraw/zinc/65/85/32/1067658532.db2.gz DFKORMHHHZEHAK-VRKFHHGPSA-N 1 2 391.563 3.741 20 30 GHEDLO C#C[C@H]1CC[C@H](NC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC001468758281 1067863338 /nfs/dbraw/zinc/86/33/38/1067863338.db2.gz GYCQJPLUJPMUNA-SNRMKQJTSA-N 1 2 391.918 3.935 20 30 GHEDLO C#C[C@H]1CC[C@H](NC(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC001468758281 1067863345 /nfs/dbraw/zinc/86/33/45/1067863345.db2.gz GYCQJPLUJPMUNA-SNRMKQJTSA-N 1 2 391.918 3.935 20 30 GHEDLO N#Cc1ccccc1Oc1ccc(C(=O)N[C@H]2CCn3c[nH+]cc3C2)cc1Cl ZINC001469326528 1068104423 /nfs/dbraw/zinc/10/44/23/1068104423.db2.gz NWBPZFXZBGFZFY-INIZCTEOSA-N 1 2 392.846 3.945 20 30 GHEDLO C#C[C@H](NC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl)C(C)C ZINC001470397155 1068721487 /nfs/dbraw/zinc/72/14/87/1068721487.db2.gz FJMCSIDWKAPQGE-IBGZPJMESA-N 1 2 390.890 3.935 20 30 GHEDLO C#CC[N@@H+](CC(=O)Nc1ccc(C(=O)OCC)cc1)[C@@H]1CCCc2ccccc21 ZINC001460835170 1069210131 /nfs/dbraw/zinc/21/01/31/1069210131.db2.gz JHLCUMZGDDIGCN-JOCHJYFZSA-N 1 2 390.483 3.815 20 30 GHEDLO C#CC[N@H+](CC(=O)Nc1ccc(C(=O)OCC)cc1)[C@@H]1CCCc2ccccc21 ZINC001460835170 1069210143 /nfs/dbraw/zinc/21/01/43/1069210143.db2.gz JHLCUMZGDDIGCN-JOCHJYFZSA-N 1 2 390.483 3.815 20 30 GHEDLO N#Cc1ccc2[nH]c(NC(=O)[C@H]3CCCC[N@H+]3Cc3cccc(F)c3)nc2c1 ZINC001470719958 1072705180 /nfs/dbraw/zinc/70/51/80/1072705180.db2.gz YYPXGWZNMNAXAG-LJQANCHMSA-N 1 2 377.423 3.567 20 30 GHEDLO N#Cc1ccc2[nH]c(NC(=O)[C@H]3CCCC[N@@H+]3Cc3cccc(F)c3)nc2c1 ZINC001470719958 1072705184 /nfs/dbraw/zinc/70/51/84/1072705184.db2.gz YYPXGWZNMNAXAG-LJQANCHMSA-N 1 2 377.423 3.567 20 30 GHEDLO N#Cc1cccc(ONC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)c1 ZINC001471085819 1072916201 /nfs/dbraw/zinc/91/62/01/1072916201.db2.gz LUKTZXBZHYGNPD-XZOQPEGZSA-N 1 2 389.499 3.907 20 30 GHEDLO N#Cc1cccc(ONC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)c1 ZINC001471085819 1072916205 /nfs/dbraw/zinc/91/62/05/1072916205.db2.gz LUKTZXBZHYGNPD-XZOQPEGZSA-N 1 2 389.499 3.907 20 30 GHEDLO N#Cc1ccc(CNC(=O)NCCN(Cc2ccccc2)c2cccc[nH+]2)s1 ZINC001478848551 1079002333 /nfs/dbraw/zinc/00/23/33/1079002333.db2.gz BNDOELDTBBHSEZ-UHFFFAOYSA-N 1 2 391.500 3.521 20 30 GHEDLO Cc1ccc([C@@H](CNc2ncc(C#N)c3ccsc32)[NH+]2CCOCC2)cc1 ZINC001472663758 1073603885 /nfs/dbraw/zinc/60/38/85/1073603885.db2.gz HHAHLWIZKDPOQE-LJQANCHMSA-N 1 2 378.501 3.962 20 30 GHEDLO C#CC[N@@H+](CC)CC(=O)Nc1scc(-c2ccccc2Cl)c1C(=O)OC ZINC001473206354 1073858350 /nfs/dbraw/zinc/85/83/50/1073858350.db2.gz GYWQEOXZMLNXCY-UHFFFAOYSA-N 1 2 390.892 3.749 20 30 GHEDLO C#CC[N@H+](CC)CC(=O)Nc1scc(-c2ccccc2Cl)c1C(=O)OC ZINC001473206354 1073858355 /nfs/dbraw/zinc/85/83/55/1073858355.db2.gz GYWQEOXZMLNXCY-UHFFFAOYSA-N 1 2 390.892 3.749 20 30 GHEDLO CC(C)(C)OC(=O)c1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)s1 ZINC001474414150 1074395533 /nfs/dbraw/zinc/39/55/33/1074395533.db2.gz PQPOYKUFJUKVLX-UHFFFAOYSA-N 1 2 383.517 3.897 20 30 GHEDLO CC(=[NH+]Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)c1ccc(N)cc1C ZINC000823958570 607964987 /nfs/dbraw/zinc/96/49/87/607964987.db2.gz RCLYEMGTLPUXFN-UHFFFAOYSA-N 1 2 375.358 3.612 20 30 GHEDLO CC(C)[NH+]1CCN(c2ccc(C(O)=C(C#N)c3nc4ccccc4[nH]3)cc2)CC1 ZINC000180774515 837535270 /nfs/dbraw/zinc/53/52/70/837535270.db2.gz QXAJJKOUXIBYNY-LJQANCHMSA-N 1 2 387.487 3.583 20 30 GHEDLO C[N@H+](Cc1ccc(Br)s1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000176988604 837714062 /nfs/dbraw/zinc/71/40/62/837714062.db2.gz LOVRTYNYJZINNO-GFCCVEGCSA-N 1 2 396.335 3.681 20 30 GHEDLO C[N@@H+](Cc1ccc(Br)s1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000176988604 837714066 /nfs/dbraw/zinc/71/40/66/837714066.db2.gz LOVRTYNYJZINNO-GFCCVEGCSA-N 1 2 396.335 3.681 20 30 GHEDLO Cc1sc(NC(=O)C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)c(C#N)c1C ZINC000177044069 837728806 /nfs/dbraw/zinc/72/88/06/837728806.db2.gz RUKIYCRRQBLRPX-GOSISDBHSA-N 1 2 383.517 3.856 20 30 GHEDLO Cc1sc(NC(=O)C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)c(C#N)c1C ZINC000177044069 837728816 /nfs/dbraw/zinc/72/88/16/837728816.db2.gz RUKIYCRRQBLRPX-GOSISDBHSA-N 1 2 383.517 3.856 20 30 GHEDLO Cc1cc(N(CCC#N)C(=O)C[NH2+]C(C)(C)c2nccs2)ccc1Cl ZINC000163394866 834893779 /nfs/dbraw/zinc/89/37/79/834893779.db2.gz NPLHSWYRDXFKBE-UHFFFAOYSA-N 1 2 376.913 3.877 20 30 GHEDLO CC(C)N1C(=O)C[C@H]([NH2+]C[C@@H](C#N)CCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000611912872 834951319 /nfs/dbraw/zinc/95/13/19/834951319.db2.gz POFAEZJFAOCPRD-FMEYXAORSA-N 1 2 376.863 3.563 20 30 GHEDLO C=CCCN(OCc1ccccc1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000186937905 835020952 /nfs/dbraw/zinc/02/09/52/835020952.db2.gz KDGLOOXDDVGBCQ-UHFFFAOYSA-N 1 2 380.492 3.770 20 30 GHEDLO O=C(NC1(c2noc([C@@H]3CCCO3)n2)CCCCCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329453205 835068074 /nfs/dbraw/zinc/06/80/74/835068074.db2.gz NPCCGILNXWEACR-WBVHZDCISA-N 1 2 399.495 3.886 20 30 GHEDLO COC(=O)c1c(NC(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)sc2c1CCC2 ZINC000579825632 835223378 /nfs/dbraw/zinc/22/33/78/835223378.db2.gz KUBQERDTOGVMEL-CYBMUJFWSA-N 1 2 397.500 3.527 20 30 GHEDLO COC(=O)c1c(NC(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)sc2c1CCC2 ZINC000579825632 835223388 /nfs/dbraw/zinc/22/33/88/835223388.db2.gz KUBQERDTOGVMEL-CYBMUJFWSA-N 1 2 397.500 3.527 20 30 GHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)NCc1cccc(OC)c1 ZINC000512511936 844038806 /nfs/dbraw/zinc/03/88/06/844038806.db2.gz NURDOOAIYJBOEP-SFHVURJKSA-N 1 2 384.524 3.556 20 30 GHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)NCc1cccc(OC)c1 ZINC000512511936 844038813 /nfs/dbraw/zinc/03/88/13/844038813.db2.gz NURDOOAIYJBOEP-SFHVURJKSA-N 1 2 384.524 3.556 20 30 GHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)NCCc1ccccc1C ZINC000512527011 844062136 /nfs/dbraw/zinc/06/21/36/844062136.db2.gz MSKYDNJVEIFCST-FQEVSTJZSA-N 1 2 382.552 3.898 20 30 GHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)NCCc1ccccc1C ZINC000512527011 844062144 /nfs/dbraw/zinc/06/21/44/844062144.db2.gz MSKYDNJVEIFCST-FQEVSTJZSA-N 1 2 382.552 3.898 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1cc(Br)cs1 ZINC000052847775 835711585 /nfs/dbraw/zinc/71/15/85/835711585.db2.gz HVDJNQICYBLUQY-LLVKDONJSA-N 1 2 378.295 3.841 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1cc(Br)cs1 ZINC000052847775 835711589 /nfs/dbraw/zinc/71/15/89/835711589.db2.gz HVDJNQICYBLUQY-LLVKDONJSA-N 1 2 378.295 3.841 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000548905474 835924794 /nfs/dbraw/zinc/92/47/94/835924794.db2.gz OCXRYYNQZABLBB-IFXJQAMLSA-N 1 2 395.528 3.681 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000548905474 835924799 /nfs/dbraw/zinc/92/47/99/835924799.db2.gz OCXRYYNQZABLBB-IFXJQAMLSA-N 1 2 395.528 3.681 20 30 GHEDLO COc1ccc(OC)c(C[NH+]2CCN(c3nc(C(C)(C)C)ccc3C#N)CC2)c1 ZINC000613409157 836325895 /nfs/dbraw/zinc/32/58/95/836325895.db2.gz LVPYOIUCHFXPBC-UHFFFAOYSA-N 1 2 394.519 3.590 20 30 GHEDLO CCNc1ccc(C#N)cc1NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000471352916 837339107 /nfs/dbraw/zinc/33/91/07/837339107.db2.gz CTXQKRIPRVRYJN-UHFFFAOYSA-N 1 2 379.489 3.818 20 30 GHEDLO Cc1nsc(N2CC[NH+](Cc3c[nH]nc3-c3ccc(Cl)cc3)CC2)c1C#N ZINC000580015319 838384182 /nfs/dbraw/zinc/38/41/82/838384182.db2.gz BVZWALWMUVPLTP-UHFFFAOYSA-N 1 2 398.923 3.689 20 30 GHEDLO N#Cc1ccccc1COc1ccc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000378092138 838411626 /nfs/dbraw/zinc/41/16/26/838411626.db2.gz VXVVDRHYVRMLLU-UHFFFAOYSA-N 1 2 386.455 3.880 20 30 GHEDLO N#Cc1ccccc1COc1ccc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000378092138 838411636 /nfs/dbraw/zinc/41/16/36/838411636.db2.gz VXVVDRHYVRMLLU-UHFFFAOYSA-N 1 2 386.455 3.880 20 30 GHEDLO C[C@H](NC(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1)c1ccc2ccccc2c1 ZINC000376595813 838416316 /nfs/dbraw/zinc/41/63/16/838416316.db2.gz RBZAGMDJBPJHAM-IBGZPJMESA-N 1 2 398.510 3.969 20 30 GHEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000177682568 838643145 /nfs/dbraw/zinc/64/31/45/838643145.db2.gz FPKIPBKWXWUQNE-SFHVURJKSA-N 1 2 378.407 3.755 20 30 GHEDLO C#CC[C@@H]([NH2+]Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1)c1ccccc1 ZINC000378534878 839295062 /nfs/dbraw/zinc/29/50/62/839295062.db2.gz XPGGKYVTSCKWIN-HXUWFJFHSA-N 1 2 380.469 3.599 20 30 GHEDLO Cc1ccccc1O[C@H](C)C(=O)N1CC[NH+](Cc2c(C)cc(C#N)cc2C)CC1 ZINC001167391519 839463522 /nfs/dbraw/zinc/46/35/22/839463522.db2.gz JTVWMISQWQALTE-HXUWFJFHSA-N 1 2 391.515 3.595 20 30 GHEDLO CCOc1ccc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)cc1OCC ZINC000535782006 844445228 /nfs/dbraw/zinc/44/52/28/844445228.db2.gz LLWQYTZRFNCAHK-UHFFFAOYSA-N 1 2 379.504 3.673 20 30 GHEDLO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCc3c(Cl)cc(Cl)cc3C2)cc1 ZINC000610798195 844468650 /nfs/dbraw/zinc/46/86/50/844468650.db2.gz OGXUWTWHXOVCNS-QGZVFWFLSA-N 1 2 391.298 3.857 20 30 GHEDLO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCc3c(Cl)cc(Cl)cc3C2)cc1 ZINC000610798195 844468656 /nfs/dbraw/zinc/46/86/56/844468656.db2.gz OGXUWTWHXOVCNS-QGZVFWFLSA-N 1 2 391.298 3.857 20 30 GHEDLO N#C[C@H](CCc1ccccc1)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000417259095 840652120 /nfs/dbraw/zinc/65/21/20/840652120.db2.gz YADLEVKSEOAYBK-NRFANRHFSA-N 1 2 388.471 3.809 20 30 GHEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCCSCc1ccccc1C#N ZINC000277038397 844580745 /nfs/dbraw/zinc/58/07/45/844580745.db2.gz OSYCKNZTCTWABF-UHFFFAOYSA-N 1 2 399.564 3.672 20 30 GHEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(c2nc3c(cc2C#N)COCC3)CC1 ZINC000581291286 841019210 /nfs/dbraw/zinc/01/92/10/841019210.db2.gz NUZPMHHNMWISAY-OAHLLOKOSA-N 1 2 382.895 3.563 20 30 GHEDLO C[C@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)C[C@@H](O)COc1ccccc1C#N ZINC000599434052 861204758 /nfs/dbraw/zinc/20/47/58/861204758.db2.gz PTGWGIRQIXUCAN-CZUORRHYSA-N 1 2 384.867 3.521 20 30 GHEDLO C[C@H](c1nc2ccc(Cl)cc2[nH]1)[N@@H+](C)C[C@@H](O)COc1ccccc1C#N ZINC000599434052 861204774 /nfs/dbraw/zinc/20/47/74/861204774.db2.gz PTGWGIRQIXUCAN-CZUORRHYSA-N 1 2 384.867 3.521 20 30 GHEDLO Cc1sc(NC(=O)C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)c(C#N)c1C ZINC000096982023 841669967 /nfs/dbraw/zinc/66/99/67/841669967.db2.gz OSCOTARXEQCILW-HNNXBMFYSA-N 1 2 389.546 3.918 20 30 GHEDLO Cc1sc(NC(=O)C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)c(C#N)c1C ZINC000096982023 841669971 /nfs/dbraw/zinc/66/99/71/841669971.db2.gz OSCOTARXEQCILW-HNNXBMFYSA-N 1 2 389.546 3.918 20 30 GHEDLO N#Cc1ccccc1OC1CCC(NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000329271301 861230436 /nfs/dbraw/zinc/23/04/36/861230436.db2.gz IAAAIUNHPABXBA-MNLRITNHSA-N 1 2 397.519 3.848 20 30 GHEDLO N#Cc1ccccc1OC1CCC(NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000329271301 861230444 /nfs/dbraw/zinc/23/04/44/861230444.db2.gz IAAAIUNHPABXBA-MNLRITNHSA-N 1 2 397.519 3.848 20 30 GHEDLO O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329291327 861254519 /nfs/dbraw/zinc/25/45/19/861254519.db2.gz QTQGCQGUMWVHPI-UHFFFAOYSA-N 1 2 384.524 3.679 20 30 GHEDLO C=CCC(C)(C)CNC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000432354340 842146674 /nfs/dbraw/zinc/14/66/74/842146674.db2.gz WBZDEZKAOUWSQT-UHFFFAOYSA-N 1 2 393.329 3.849 20 30 GHEDLO O=C(C[N@@H+]1CCCN(C(=O)CC2CCCC2)CC1)NCc1ccc(Cl)cc1 ZINC000329329448 861289685 /nfs/dbraw/zinc/28/96/85/861289685.db2.gz VIFIACOYIJUVIU-UHFFFAOYSA-N 1 2 391.943 3.911 20 30 GHEDLO O=C(C[N@H+]1CCCN(C(=O)CC2CCCC2)CC1)NCc1ccc(Cl)cc1 ZINC000329329448 861289700 /nfs/dbraw/zinc/28/97/00/861289700.db2.gz VIFIACOYIJUVIU-UHFFFAOYSA-N 1 2 391.943 3.911 20 30 GHEDLO N#Cc1ccc(-c2nnc(CN3CCC(c4[nH+]cc5n4CCCC5)CC3)o2)cc1 ZINC000278973134 842405429 /nfs/dbraw/zinc/40/54/29/842405429.db2.gz YCDSWMGSVWFEAM-UHFFFAOYSA-N 1 2 388.475 3.521 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC000512182389 842805205 /nfs/dbraw/zinc/80/52/05/842805205.db2.gz RRXRVSNFCMHQQZ-QZTJIDSGSA-N 1 2 382.504 3.906 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC000512182389 842805209 /nfs/dbraw/zinc/80/52/09/842805209.db2.gz RRXRVSNFCMHQQZ-QZTJIDSGSA-N 1 2 382.504 3.906 20 30 GHEDLO N#Cc1ccc(CNC(=O)[C@H](c2cccc(Br)c2)[NH+]2CCCC2)cc1 ZINC001126327543 842905512 /nfs/dbraw/zinc/90/55/12/842905512.db2.gz AHEUYMXWWUYUAW-IBGZPJMESA-N 1 2 398.304 3.774 20 30 GHEDLO Cc1cccn2cc(CCNC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)[nH+]c12 ZINC000610597709 843250783 /nfs/dbraw/zinc/25/07/83/843250783.db2.gz YSVALAHOJJQJOG-RTWAWAEBSA-N 1 2 387.487 3.667 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cccc(C#N)c2C)[C@@H](C)C1 ZINC000510806360 843514732 /nfs/dbraw/zinc/51/47/32/843514732.db2.gz JFBZKMNMPVSJFG-KRWDZBQOSA-N 1 2 377.488 3.612 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cccc(C#N)c2C)[C@@H](C)C1 ZINC000510806360 843514741 /nfs/dbraw/zinc/51/47/41/843514741.db2.gz JFBZKMNMPVSJFG-KRWDZBQOSA-N 1 2 377.488 3.612 20 30 GHEDLO COc1cc(C)ccc1Oc1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc1F ZINC000563004346 843532107 /nfs/dbraw/zinc/53/21/07/843532107.db2.gz GGYXWIMSDRYEDW-QGZVFWFLSA-N 1 2 387.455 3.553 20 30 GHEDLO COc1cc(C)ccc1Oc1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1F ZINC000563004346 843532114 /nfs/dbraw/zinc/53/21/14/843532114.db2.gz GGYXWIMSDRYEDW-QGZVFWFLSA-N 1 2 387.455 3.553 20 30 GHEDLO COc1ccc([C@@H]([NH2+][C@H](C)C(=O)NC2(C#N)CCCCC2)c2ccco2)cc1 ZINC000419286080 843863878 /nfs/dbraw/zinc/86/38/78/843863878.db2.gz NSWIOPRSBLYAJJ-OXQOHEQNSA-N 1 2 381.476 3.698 20 30 GHEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000433253334 843937841 /nfs/dbraw/zinc/93/78/41/843937841.db2.gz FNRCGCWIKRISAR-FQEVSTJZSA-N 1 2 393.491 3.783 20 30 GHEDLO C#CCOc1ccc(NC(=O)N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)cc1 ZINC000731113454 861474363 /nfs/dbraw/zinc/47/43/63/861474363.db2.gz XVKQODPBZRZNBZ-SFHVURJKSA-N 1 2 393.487 3.618 20 30 GHEDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)C2)[nH]1 ZINC000329472369 861494817 /nfs/dbraw/zinc/49/48/17/861494817.db2.gz OHCGRYMUNIWTNU-WCQYABFASA-N 1 2 381.402 3.988 20 30 GHEDLO Cc1nnc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)C2)[nH]1 ZINC000329472369 861494822 /nfs/dbraw/zinc/49/48/22/861494822.db2.gz OHCGRYMUNIWTNU-WCQYABFASA-N 1 2 381.402 3.988 20 30 GHEDLO CC(C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccnc(C#N)c1 ZINC000610993629 845071669 /nfs/dbraw/zinc/07/16/69/845071669.db2.gz XEGVTYNZPOKBLL-UHFFFAOYSA-N 1 2 376.382 3.821 20 30 GHEDLO CC(C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccnc(C#N)c1 ZINC000610993629 845071673 /nfs/dbraw/zinc/07/16/73/845071673.db2.gz XEGVTYNZPOKBLL-UHFFFAOYSA-N 1 2 376.382 3.821 20 30 GHEDLO Cc1ccccc1C(C)(C)CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000509916988 845109332 /nfs/dbraw/zinc/10/93/32/845109332.db2.gz CRRHFLSIFOACCM-UHFFFAOYSA-N 1 2 390.531 3.672 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)c(C#N)c1C ZINC000555685988 861582767 /nfs/dbraw/zinc/58/27/67/861582767.db2.gz NNPXDTFSSOMKTP-SUMWQHHRSA-N 1 2 387.867 3.902 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)c(C#N)c1C ZINC000555685988 861582772 /nfs/dbraw/zinc/58/27/72/861582772.db2.gz NNPXDTFSSOMKTP-SUMWQHHRSA-N 1 2 387.867 3.902 20 30 GHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2Cc3ccccc3O[C@H](C)C2)c1C ZINC000429120643 861594543 /nfs/dbraw/zinc/59/45/43/861594543.db2.gz BJWHKCPPAFJRSC-GOSISDBHSA-N 1 2 377.488 3.833 20 30 GHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2Cc3ccccc3O[C@H](C)C2)c1C ZINC000429120643 861594552 /nfs/dbraw/zinc/59/45/52/861594552.db2.gz BJWHKCPPAFJRSC-GOSISDBHSA-N 1 2 377.488 3.833 20 30 GHEDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(OC)c1 ZINC000502545243 846183261 /nfs/dbraw/zinc/18/32/61/846183261.db2.gz SZLUECDQAIEEKY-INIZCTEOSA-N 1 2 391.471 3.692 20 30 GHEDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(OC)c1 ZINC000502545243 846183265 /nfs/dbraw/zinc/18/32/65/846183265.db2.gz SZLUECDQAIEEKY-INIZCTEOSA-N 1 2 391.471 3.692 20 30 GHEDLO N#Cc1cc(C[N@@H+](CCO)Cc2cc(Br)ccc2F)ccc1F ZINC000119829343 846353736 /nfs/dbraw/zinc/35/37/36/846353736.db2.gz ITWZBDIESOLFFL-UHFFFAOYSA-N 1 2 381.220 3.593 20 30 GHEDLO N#Cc1cc(C[N@H+](CCO)Cc2cc(Br)ccc2F)ccc1F ZINC000119829343 846353744 /nfs/dbraw/zinc/35/37/44/846353744.db2.gz ITWZBDIESOLFFL-UHFFFAOYSA-N 1 2 381.220 3.593 20 30 GHEDLO C=CCCc1ccccc1NC(=O)[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000501136621 846679512 /nfs/dbraw/zinc/67/95/12/846679512.db2.gz SQNIBSZYEXMQJF-XMSQKQJNSA-N 1 2 392.503 3.620 20 30 GHEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000158515740 847595924 /nfs/dbraw/zinc/59/59/24/847595924.db2.gz YFPFIVFJQUNMRK-UHFFFAOYSA-N 1 2 387.842 3.907 20 30 GHEDLO N#Cc1ccccc1Oc1ccccc1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000183511972 847702642 /nfs/dbraw/zinc/70/26/42/847702642.db2.gz BNICDDSPOHVALS-SFHVURJKSA-N 1 2 384.439 3.754 20 30 GHEDLO N#Cc1ccccc1COc1cccc(CN2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000121968924 848570632 /nfs/dbraw/zinc/57/06/32/848570632.db2.gz LJEFNBIGRMBVIJ-UHFFFAOYSA-N 1 2 398.510 3.850 20 30 GHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(Cc2ccccc2OC)CC1 ZINC000434840808 849823085 /nfs/dbraw/zinc/82/30/85/849823085.db2.gz DGBHLSFLAUBQOJ-JOCHJYFZSA-N 1 2 378.472 3.736 20 30 GHEDLO CC(C)(C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)c1cc(F)cc(C#N)c1 ZINC000504594403 850179844 /nfs/dbraw/zinc/17/98/44/850179844.db2.gz XGDWCQJMBKIFKO-TWGQIWQCSA-N 1 2 391.490 3.833 20 30 GHEDLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc(CC#N)c1 ZINC000439812017 850444945 /nfs/dbraw/zinc/44/49/45/850444945.db2.gz WCRIHJBJXAPYQO-WZONZLPQSA-N 1 2 390.531 3.829 20 30 GHEDLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc(CC#N)c1 ZINC000439812017 850444955 /nfs/dbraw/zinc/44/49/55/850444955.db2.gz WCRIHJBJXAPYQO-WZONZLPQSA-N 1 2 390.531 3.829 20 30 GHEDLO Cc1ccc(F)c(N2CCC[C@H]([NH+]3CCC(C#N)(c4ccccn4)CC3)C2=O)c1 ZINC000515516785 851116783 /nfs/dbraw/zinc/11/67/83/851116783.db2.gz KRNZYHCBYAURNA-IBGZPJMESA-N 1 2 392.478 3.582 20 30 GHEDLO N#Cc1cccc(-c2nnc(C[NH+]3CCC(C(=O)c4ccc(F)cc4)CC3)o2)c1 ZINC000434666644 851455661 /nfs/dbraw/zinc/45/56/61/851455661.db2.gz RKWYCWGWLWOLHD-UHFFFAOYSA-N 1 2 390.418 3.842 20 30 GHEDLO CC[C@H](NC(=O)C[N@H+](CCOC)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000604493185 862253382 /nfs/dbraw/zinc/25/33/82/862253382.db2.gz SXHCCMHSRNBIHN-NRFANRHFSA-N 1 2 399.922 3.928 20 30 GHEDLO CC[C@H](NC(=O)C[N@@H+](CCOC)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000604493185 862253400 /nfs/dbraw/zinc/25/34/00/862253400.db2.gz SXHCCMHSRNBIHN-NRFANRHFSA-N 1 2 399.922 3.928 20 30 GHEDLO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425529510 851557567 /nfs/dbraw/zinc/55/75/67/851557567.db2.gz BXXCFQJTZIDWIJ-CYBMUJFWSA-N 1 2 385.489 3.655 20 30 GHEDLO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425529510 851557576 /nfs/dbraw/zinc/55/75/76/851557576.db2.gz BXXCFQJTZIDWIJ-CYBMUJFWSA-N 1 2 385.489 3.655 20 30 GHEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000488891543 851849074 /nfs/dbraw/zinc/84/90/74/851849074.db2.gz BPEPXLSLIBOMQM-LPHOPBHVSA-N 1 2 377.410 3.657 20 30 GHEDLO C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000488891543 851849081 /nfs/dbraw/zinc/84/90/81/851849081.db2.gz BPEPXLSLIBOMQM-LPHOPBHVSA-N 1 2 377.410 3.657 20 30 GHEDLO Cn1c2ccccc2nc1[C@@H](C#N)C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000489914756 852665932 /nfs/dbraw/zinc/66/59/32/852665932.db2.gz UAINCHOQWWBJFX-ZDUSSCGKSA-N 1 2 392.369 3.582 20 30 GHEDLO COc1cc2nc(C)sc2cc1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000329883646 862395178 /nfs/dbraw/zinc/39/51/78/862395178.db2.gz RGXARUZAOGFDGR-BLLLJJGKSA-N 1 2 385.493 3.938 20 30 GHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000491053861 853428009 /nfs/dbraw/zinc/42/80/09/853428009.db2.gz VFXPKZHYDUMIQG-UHFFFAOYSA-N 1 2 388.515 3.750 20 30 GHEDLO N#Cc1ccc(SCC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)cc1 ZINC000519784376 853491054 /nfs/dbraw/zinc/49/10/54/853491054.db2.gz BYHYZQHIIGPICU-UHFFFAOYSA-N 1 2 382.876 3.806 20 30 GHEDLO COc1ccc(C[N@H+](C)Cc2ccc(Br)cc2C#N)cc1OC ZINC000588197861 854210771 /nfs/dbraw/zinc/21/07/71/854210771.db2.gz ONKLUFJQLZQFCI-UHFFFAOYSA-N 1 2 375.266 3.970 20 30 GHEDLO COc1ccc(C[N@@H+](C)Cc2ccc(Br)cc2C#N)cc1OC ZINC000588197861 854210777 /nfs/dbraw/zinc/21/07/77/854210777.db2.gz ONKLUFJQLZQFCI-UHFFFAOYSA-N 1 2 375.266 3.970 20 30 GHEDLO C=CCNC(=O)[C@@H](C)N1CC[NH+]([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000588672710 854319332 /nfs/dbraw/zinc/31/93/32/854319332.db2.gz PCAHCROXWJAXOC-XMSQKQJNSA-N 1 2 397.950 3.738 20 30 GHEDLO Cc1c2ccccc2oc1[C@@H](C)NC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000330071434 862552950 /nfs/dbraw/zinc/55/29/50/862552950.db2.gz YCPIXWRPGVPMGO-CLCXKQKWSA-N 1 2 382.464 3.960 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000328834188 854567519 /nfs/dbraw/zinc/56/75/19/854567519.db2.gz LUBCYCVAXLNIEZ-RPVQJOFSSA-N 1 2 395.906 3.828 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000328834188 854567525 /nfs/dbraw/zinc/56/75/25/854567525.db2.gz LUBCYCVAXLNIEZ-RPVQJOFSSA-N 1 2 395.906 3.828 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)c2cc3c([nH]c2=O)CCCC3=O)[C@H]1c1ccc(Cl)cc1 ZINC000328931496 854627190 /nfs/dbraw/zinc/62/71/90/854627190.db2.gz ZPXMTXGXNDXLBM-PKOBYXMFSA-N 1 2 399.878 3.710 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)c2cc3c([nH]c2=O)CCCC3=O)[C@H]1c1ccc(Cl)cc1 ZINC000328931496 854627197 /nfs/dbraw/zinc/62/71/97/854627197.db2.gz ZPXMTXGXNDXLBM-PKOBYXMFSA-N 1 2 399.878 3.710 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCCC4(CCOCC4)C3)n2)C1 ZINC000330119732 862587715 /nfs/dbraw/zinc/58/77/15/862587715.db2.gz GAEHRJZKTZBDNO-MRXNPFEDSA-N 1 2 392.569 3.813 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCCC4(CCOCC4)C3)n2)C1 ZINC000330119732 862587727 /nfs/dbraw/zinc/58/77/27/862587727.db2.gz GAEHRJZKTZBDNO-MRXNPFEDSA-N 1 2 392.569 3.813 20 30 GHEDLO C[C@H](NC(=O)C[N@H+]1CC=C(c2cccc(Cl)c2)CC1)C(=O)N1CCCCC1 ZINC000330138008 862605907 /nfs/dbraw/zinc/60/59/07/862605907.db2.gz IDOBISPCPAEYEK-INIZCTEOSA-N 1 2 389.927 3.787 20 30 GHEDLO C[C@H](NC(=O)C[N@@H+]1CC=C(c2cccc(Cl)c2)CC1)C(=O)N1CCCCC1 ZINC000330138008 862605911 /nfs/dbraw/zinc/60/59/11/862605911.db2.gz IDOBISPCPAEYEK-INIZCTEOSA-N 1 2 389.927 3.787 20 30 GHEDLO CC(C)[N@@H+]1CC[C@H](NC(=O)c2cccc(C#N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000589482291 854902765 /nfs/dbraw/zinc/90/27/65/854902765.db2.gz QSGNWMHCKDMVJL-HKUYNNGSSA-N 1 2 386.858 3.700 20 30 GHEDLO CC(C)[N@H+]1CC[C@H](NC(=O)c2cccc(C#N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000589482291 854902770 /nfs/dbraw/zinc/90/27/70/854902770.db2.gz QSGNWMHCKDMVJL-HKUYNNGSSA-N 1 2 386.858 3.700 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCSc4ccccc43)CC2)cc1 ZINC000045552362 854990187 /nfs/dbraw/zinc/99/01/87/854990187.db2.gz RJRICOSMZQKWRV-HXUWFJFHSA-N 1 2 392.528 3.623 20 30 GHEDLO CC(C)COC1CC[NH+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000054322565 855141950 /nfs/dbraw/zinc/14/19/50/855141950.db2.gz OJYCSASROSRRCW-UHFFFAOYSA-N 1 2 389.565 3.964 20 30 GHEDLO C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000108182397 855747494 /nfs/dbraw/zinc/74/74/94/855747494.db2.gz UBIAYKFCACCYAE-AEFFLSMTSA-N 1 2 384.480 3.524 20 30 GHEDLO C[C@@H](c1nnc(Sc2cccc(C#N)n2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000301807242 855760535 /nfs/dbraw/zinc/76/05/35/855760535.db2.gz ALUNOCJHIDFYPP-LBPRGKRZSA-N 1 2 384.896 3.961 20 30 GHEDLO Cc1nnc(N2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)c(C#N)c1C ZINC000301879691 855774508 /nfs/dbraw/zinc/77/45/08/855774508.db2.gz JTEZDMIIZAECFS-UHFFFAOYSA-N 1 2 390.318 3.637 20 30 GHEDLO Cc1ccc(C(=O)C2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCCCC3)CC2)c(C)c1 ZINC000026640851 856064692 /nfs/dbraw/zinc/06/46/92/856064692.db2.gz WXTGDVHQMWANMA-LJQANCHMSA-N 1 2 395.547 3.929 20 30 GHEDLO N#Cc1ccc(CC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000171871641 856293674 /nfs/dbraw/zinc/29/36/74/856293674.db2.gz JXWCDBPEUYKBLK-IBGZPJMESA-N 1 2 385.870 3.674 20 30 GHEDLO N#Cc1ccc(CC(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000171871641 856293683 /nfs/dbraw/zinc/29/36/83/856293683.db2.gz JXWCDBPEUYKBLK-IBGZPJMESA-N 1 2 385.870 3.674 20 30 GHEDLO N#Cc1ccc(SCc2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)cc1 ZINC000109582292 856331683 /nfs/dbraw/zinc/33/16/83/856331683.db2.gz JRDMGCVIMOHYPN-UHFFFAOYSA-N 1 2 392.484 3.733 20 30 GHEDLO CC(C)Cc1noc(CO[NH+]=C(N)c2ccc(OCc3ccccc3)cc2)n1 ZINC000733191989 862790540 /nfs/dbraw/zinc/79/05/40/862790540.db2.gz VXHQJGWMYKIFCA-UHFFFAOYSA-N 1 2 380.448 3.684 20 30 GHEDLO CC(C)(C)OC(=O)C1(C)CC[NH+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000592157227 856744706 /nfs/dbraw/zinc/74/47/06/856744706.db2.gz PGHRTOMDOCWMQW-UHFFFAOYSA-N 1 2 382.464 3.552 20 30 GHEDLO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)c1 ZINC000173500736 856957911 /nfs/dbraw/zinc/95/79/11/856957911.db2.gz LJTBLEOLRUJIAF-IBGZPJMESA-N 1 2 390.443 3.963 20 30 GHEDLO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)c1 ZINC000173500736 856957919 /nfs/dbraw/zinc/95/79/19/856957919.db2.gz LJTBLEOLRUJIAF-IBGZPJMESA-N 1 2 390.443 3.963 20 30 GHEDLO O=C(NCCc1[nH]cc[nH+]1)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000668536867 856980921 /nfs/dbraw/zinc/98/09/21/856980921.db2.gz ZGTPJRZKSKRKCX-UHFFFAOYSA-N 1 2 383.267 3.672 20 30 GHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH+]2CCC(C3(O)CC3)CC2)c1C#N ZINC000593050902 857201915 /nfs/dbraw/zinc/20/19/15/857201915.db2.gz QMLPDGMPWSKVCF-UHFFFAOYSA-N 1 2 398.551 3.657 20 30 GHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3ncc(C#N)cc3Cl)n2)C1 ZINC000485901615 857211799 /nfs/dbraw/zinc/21/17/99/857211799.db2.gz UGDAHSXCFMFLCE-NSHDSACASA-N 1 2 375.885 3.547 20 30 GHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ncc(C#N)cc3Cl)n2)C1 ZINC000485901615 857211806 /nfs/dbraw/zinc/21/18/06/857211806.db2.gz UGDAHSXCFMFLCE-NSHDSACASA-N 1 2 375.885 3.547 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+](CCCO)Cc1cccc(Cl)c1 ZINC000134285011 862922402 /nfs/dbraw/zinc/92/24/02/862922402.db2.gz CTWFIFZTAGMDCT-UHFFFAOYSA-N 1 2 392.286 3.688 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+](CCCO)Cc1cccc(Cl)c1 ZINC000134285011 862922416 /nfs/dbraw/zinc/92/24/16/862922416.db2.gz CTWFIFZTAGMDCT-UHFFFAOYSA-N 1 2 392.286 3.688 20 30 GHEDLO N#CCCCOc1cccc(C[N@H+]2Cc3ccccc3C[C@@H]2C(=O)NC2CC2)c1 ZINC000593646137 857647033 /nfs/dbraw/zinc/64/70/33/857647033.db2.gz UBUQHDZGTAFZNY-HSZRJFAPSA-N 1 2 389.499 3.575 20 30 GHEDLO N#CCCCOc1cccc(C[N@@H+]2Cc3ccccc3C[C@@H]2C(=O)NC2CC2)c1 ZINC000593646137 857647037 /nfs/dbraw/zinc/64/70/37/857647037.db2.gz UBUQHDZGTAFZNY-HSZRJFAPSA-N 1 2 389.499 3.575 20 30 GHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1cc(C#N)c2ccccc2n1 ZINC000574315599 857694164 /nfs/dbraw/zinc/69/41/64/857694164.db2.gz ZKBOUZWBWRZAFD-UHFFFAOYSA-N 1 2 377.354 3.682 20 30 GHEDLO Cc1ccccc1C1(C(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)CCOCC1 ZINC000330338282 862985768 /nfs/dbraw/zinc/98/57/68/862985768.db2.gz VEOWIXAIXJPAQX-YLJYHZDGSA-N 1 2 383.492 3.654 20 30 GHEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)C2(c3ccc(F)cc3F)CCC2)CCO1 ZINC000330339379 862989206 /nfs/dbraw/zinc/98/92/06/862989206.db2.gz WOXYSNYKAVTTCL-KSSFIOAISA-N 1 2 375.419 3.997 20 30 GHEDLO N#CC[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)C1 ZINC000594660864 858258205 /nfs/dbraw/zinc/25/82/05/858258205.db2.gz RXQMWRQWQNZWOK-UWJYYQICSA-N 1 2 389.455 3.736 20 30 GHEDLO N#CC[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)C1 ZINC000594660864 858258213 /nfs/dbraw/zinc/25/82/13/858258213.db2.gz RXQMWRQWQNZWOK-UWJYYQICSA-N 1 2 389.455 3.736 20 30 GHEDLO N#CC[C@H]1CCCN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000595499896 858545868 /nfs/dbraw/zinc/54/58/68/858545868.db2.gz ONBKFZCVHDUOME-QAPCUYQASA-N 1 2 392.906 3.779 20 30 GHEDLO N#CC[C@H]1CCCN(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000595499896 858545871 /nfs/dbraw/zinc/54/58/71/858545871.db2.gz ONBKFZCVHDUOME-QAPCUYQASA-N 1 2 392.906 3.779 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593117425 858660919 /nfs/dbraw/zinc/66/09/19/858660919.db2.gz NBKALOPNELVQAW-XIKOKIGWSA-N 1 2 379.476 3.947 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593117425 858660923 /nfs/dbraw/zinc/66/09/23/858660923.db2.gz NBKALOPNELVQAW-XIKOKIGWSA-N 1 2 379.476 3.947 20 30 GHEDLO C[N@@H+]1CCO[C@@H]([C@H](Nc2nc3ncccc3cc2C#N)c2ccc(Cl)cc2)C1 ZINC000596179331 858799689 /nfs/dbraw/zinc/79/96/89/858799689.db2.gz VSISRAWYCDIFJG-RTBURBONSA-N 1 2 393.878 3.639 20 30 GHEDLO C[N@H+]1CCO[C@@H]([C@H](Nc2nc3ncccc3cc2C#N)c2ccc(Cl)cc2)C1 ZINC000596179331 858799697 /nfs/dbraw/zinc/79/96/97/858799697.db2.gz VSISRAWYCDIFJG-RTBURBONSA-N 1 2 393.878 3.639 20 30 GHEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCC2(C#N)CCCCC2)C[C@@H](C)O1 ZINC000596696712 859012838 /nfs/dbraw/zinc/01/28/38/859012838.db2.gz GRWHUJIJOJJQAV-QZTJIDSGSA-N 1 2 384.524 3.891 20 30 GHEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025244131 859103514 /nfs/dbraw/zinc/10/35/14/859103514.db2.gz SKNURTMOFZJWCE-AWEZNQCLSA-N 1 2 383.414 3.748 20 30 GHEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025244131 859103519 /nfs/dbraw/zinc/10/35/19/859103519.db2.gz SKNURTMOFZJWCE-AWEZNQCLSA-N 1 2 383.414 3.748 20 30 GHEDLO Cc1ccccc1-n1nccc1C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000474148325 859296734 /nfs/dbraw/zinc/29/67/34/859296734.db2.gz VOTWALCYIVLQIP-UHFFFAOYSA-N 1 2 375.451 3.514 20 30 GHEDLO CC(C[NH+]1Cc2ccccc2C1)N=Nc1c(F)cc(C(=O)NC2CC2)cc1F ZINC000792635645 881406452 /nfs/dbraw/zinc/40/64/52/881406452.db2.gz URQXPHGQZZMJEV-UHFFFAOYSA-N 1 2 384.430 3.661 20 30 GHEDLO COCC[N@H+](CC(=O)N(C)[C@H]1CCCc2ccccc21)Cc1ccc(C#N)cc1 ZINC000069072267 859329281 /nfs/dbraw/zinc/32/92/81/859329281.db2.gz GESMNQIBMWKASI-QHCPKHFHSA-N 1 2 391.515 3.543 20 30 GHEDLO COCC[N@@H+](CC(=O)N(C)[C@H]1CCCc2ccccc21)Cc1ccc(C#N)cc1 ZINC000069072267 859329287 /nfs/dbraw/zinc/32/92/87/859329287.db2.gz GESMNQIBMWKASI-QHCPKHFHSA-N 1 2 391.515 3.543 20 30 GHEDLO COc1cc(C[N@@H+]2CCC[C@H](CC#N)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000597175244 859336613 /nfs/dbraw/zinc/33/66/13/859336613.db2.gz XIKVRUOTNKOHLA-GFCCVEGCSA-N 1 2 387.358 3.670 20 30 GHEDLO COc1cc(C[N@H+]2CCC[C@H](CC#N)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000597175244 859336625 /nfs/dbraw/zinc/33/66/25/859336625.db2.gz XIKVRUOTNKOHLA-GFCCVEGCSA-N 1 2 387.358 3.670 20 30 GHEDLO Cc1cc(C#N)cc(C)c1C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000895528887 859620142 /nfs/dbraw/zinc/62/01/42/859620142.db2.gz QULVLFDBOTUUGR-UHFFFAOYSA-N 1 2 376.504 3.640 20 30 GHEDLO CCC1(NC(=O)OC(C)(C)C)CC[NH+](Cc2cc(C#N)cnc2Cl)CC1 ZINC000895601750 859698758 /nfs/dbraw/zinc/69/87/58/859698758.db2.gz VPACQLHBVXKXJY-UHFFFAOYSA-N 1 2 378.904 3.876 20 30 GHEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000611551971 859809097 /nfs/dbraw/zinc/80/90/97/859809097.db2.gz YGNNCEUQFNHPNY-NRFANRHFSA-N 1 2 378.426 3.895 20 30 GHEDLO Cc1ccc2[nH+]c(CSCC(=O)NC(C)(C)c3cccc(C#N)c3)cn2c1 ZINC000597950021 859954969 /nfs/dbraw/zinc/95/49/69/859954969.db2.gz BASZYVWVWWEZSH-UHFFFAOYSA-N 1 2 378.501 3.799 20 30 GHEDLO N#Cc1cc(F)ccc1N1CC[NH+](Cc2cnc(CC(F)(F)F)s2)CC1 ZINC000895845525 859991627 /nfs/dbraw/zinc/99/16/27/859991627.db2.gz WFNCWIGCMDBASX-UHFFFAOYSA-N 1 2 384.402 3.581 20 30 GHEDLO Cc1ccccc1[C@]1(C)NC(=O)N(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)C1=O ZINC000728044375 860366951 /nfs/dbraw/zinc/36/69/51/860366951.db2.gz VIYUIBGCZKIEHH-QHCPKHFHSA-N 1 2 390.487 3.502 20 30 GHEDLO Cc1ccccc1[C@]1(C)NC(=O)N(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)C1=O ZINC000728044375 860366960 /nfs/dbraw/zinc/36/69/60/860366960.db2.gz VIYUIBGCZKIEHH-QHCPKHFHSA-N 1 2 390.487 3.502 20 30 GHEDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000728126231 860385746 /nfs/dbraw/zinc/38/57/46/860385746.db2.gz RSWCSVDRDXXWJS-HNNXBMFYSA-N 1 2 377.395 3.593 20 30 GHEDLO CC(=NNc1cc[nH+]c2ccccc12)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000730147784 860897318 /nfs/dbraw/zinc/89/73/18/860897318.db2.gz JYRUXHCQQWZNDG-UHFFFAOYSA-N 1 2 379.376 3.926 20 30 GHEDLO Cc1nnc([C@@H]2CCC[N@@H+](CC(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)C2)[nH]1 ZINC000329228253 861168655 /nfs/dbraw/zinc/16/86/55/861168655.db2.gz AJTHQZFKCTXRQI-MGPUTAFESA-N 1 2 381.524 3.889 20 30 GHEDLO Cc1nnc([C@@H]2CCC[N@H+](CC(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)C2)[nH]1 ZINC000329228253 861168681 /nfs/dbraw/zinc/16/86/81/861168681.db2.gz AJTHQZFKCTXRQI-MGPUTAFESA-N 1 2 381.524 3.889 20 30 GHEDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)C2)n1 ZINC000329228253 861168694 /nfs/dbraw/zinc/16/86/94/861168694.db2.gz AJTHQZFKCTXRQI-MGPUTAFESA-N 1 2 381.524 3.889 20 30 GHEDLO Cc1n[nH]c([C@@H]2CCC[N@H+](CC(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)C2)n1 ZINC000329228253 861168701 /nfs/dbraw/zinc/16/87/01/861168701.db2.gz AJTHQZFKCTXRQI-MGPUTAFESA-N 1 2 381.524 3.889 20 30 GHEDLO C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(C[NH+](C)C)cc3F)[nH]n2)c1C ZINC001299307179 863243938 /nfs/dbraw/zinc/24/39/38/863243938.db2.gz WACIWWVFTFPCRV-UHFFFAOYSA-N 1 2 396.470 3.529 20 30 GHEDLO N#Cc1ccc(C2([NH2+]Cc3nnnn3-c3ccc(C(F)(F)F)cc3)CCC2)cc1 ZINC000594030992 863789337 /nfs/dbraw/zinc/78/93/37/863789337.db2.gz CWFJYHDHFFKLAI-UHFFFAOYSA-N 1 2 398.392 3.722 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2Cc3ccc(C#N)cc3C2)C[C@H](C)O1 ZINC000594065313 864005378 /nfs/dbraw/zinc/00/53/78/864005378.db2.gz VUNIFRZJONRYGF-CALCHBBNSA-N 1 2 390.487 3.715 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2Cc3ccc(C#N)cc3C2)C[C@H](C)O1 ZINC000594065313 864005392 /nfs/dbraw/zinc/00/53/92/864005392.db2.gz VUNIFRZJONRYGF-CALCHBBNSA-N 1 2 390.487 3.715 20 30 GHEDLO C=CC[N@@H+](CC(=O)N[C@@H](c1ccc(OC)cc1)C1CC1)Cc1cccc(C#N)c1 ZINC000063300236 864479388 /nfs/dbraw/zinc/47/93/88/864479388.db2.gz KESGSNAOOVJFML-XMMPIXPASA-N 1 2 389.499 3.822 20 30 GHEDLO C=CC[N@H+](CC(=O)N[C@@H](c1ccc(OC)cc1)C1CC1)Cc1cccc(C#N)c1 ZINC000063300236 864479404 /nfs/dbraw/zinc/47/94/04/864479404.db2.gz KESGSNAOOVJFML-XMMPIXPASA-N 1 2 389.499 3.822 20 30 GHEDLO N#Cc1cccc(NC(=O)C[NH2+][C@H](c2cccc(Cl)c2)c2ccccn2)c1 ZINC000475334725 864822443 /nfs/dbraw/zinc/82/24/43/864822443.db2.gz PBRZNMVQRWASDT-OAQYLSRUSA-N 1 2 376.847 3.924 20 30 GHEDLO C=CCOc1ccccc1CNC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608431272 865328638 /nfs/dbraw/zinc/32/86/38/865328638.db2.gz VSFTUYCDLIJLRC-FQEVSTJZSA-N 1 2 390.487 3.768 20 30 GHEDLO CCn1c(NC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)nc2cc(C#N)ccc21 ZINC000476544241 881888528 /nfs/dbraw/zinc/88/85/28/881888528.db2.gz XAMYAOZDFFKGSL-UHFFFAOYSA-N 1 2 394.385 3.503 20 30 GHEDLO C#CCOc1ccccc1NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282005021 866120039 /nfs/dbraw/zinc/12/00/39/866120039.db2.gz IDUVGCTZZACSPT-QGZVFWFLSA-N 1 2 378.476 3.643 20 30 GHEDLO O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000623254489 866121700 /nfs/dbraw/zinc/12/17/00/866121700.db2.gz DIHZCPBWROWHIN-LLVKDONJSA-N 1 2 395.278 3.527 20 30 GHEDLO COC(=O)c1ccc(Br)c(N[NH+]=C(C)c2ccc(N)cc2C)c1 ZINC000793117865 881951495 /nfs/dbraw/zinc/95/14/95/881951495.db2.gz RECPGLYPSFIOQB-UHFFFAOYSA-N 1 2 376.254 3.962 20 30 GHEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+]2CC=C(C)CC2)c1C#N ZINC000534473222 866877035 /nfs/dbraw/zinc/87/70/35/866877035.db2.gz FZIOMGZWNYRXMK-UHFFFAOYSA-N 1 2 380.467 3.755 20 30 GHEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+]2CC=C(C)CC2)c1C#N ZINC000534473222 866877047 /nfs/dbraw/zinc/87/70/47/866877047.db2.gz FZIOMGZWNYRXMK-UHFFFAOYSA-N 1 2 380.467 3.755 20 30 GHEDLO C#CCCOc1ccc(C[N@H+]2CCC[C@H]2c2nc(C(=O)OC)c(C)s2)cc1 ZINC000793239694 882038764 /nfs/dbraw/zinc/03/87/64/882038764.db2.gz HYRCAGCJNFVIKU-SFHVURJKSA-N 1 2 384.501 3.977 20 30 GHEDLO C#CCCOc1ccc(C[N@@H+]2CCC[C@H]2c2nc(C(=O)OC)c(C)s2)cc1 ZINC000793239694 882038783 /nfs/dbraw/zinc/03/87/83/882038783.db2.gz HYRCAGCJNFVIKU-SFHVURJKSA-N 1 2 384.501 3.977 20 30 GHEDLO C=CCn1c([C@@H]2COc3ccccc3O2)nn(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1=S ZINC000742165408 867091001 /nfs/dbraw/zinc/09/10/01/867091001.db2.gz UQEPFRKTWJTZBP-DAYGRLMNSA-N 1 2 398.532 3.658 20 30 GHEDLO C=CCn1c([C@@H]2COc3ccccc3O2)nn(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1=S ZINC000742165408 867091016 /nfs/dbraw/zinc/09/10/16/867091016.db2.gz UQEPFRKTWJTZBP-DAYGRLMNSA-N 1 2 398.532 3.658 20 30 GHEDLO N#Cc1ccc(N2C(=O)C[C@@H]([N@@H+]3CC=C(c4cccc(Cl)c4)CC3)C2=O)cc1 ZINC000479176446 867285019 /nfs/dbraw/zinc/28/50/19/867285019.db2.gz CTDUNMPPPBTKLQ-HXUWFJFHSA-N 1 2 391.858 3.633 20 30 GHEDLO N#Cc1ccc(N2C(=O)C[C@@H]([N@H+]3CC=C(c4cccc(Cl)c4)CC3)C2=O)cc1 ZINC000479176446 867285039 /nfs/dbraw/zinc/28/50/39/867285039.db2.gz CTDUNMPPPBTKLQ-HXUWFJFHSA-N 1 2 391.858 3.633 20 30 GHEDLO C[C@@H]1C(=O)N(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)[C@H]1c1ccccc1 ZINC000743362228 868113656 /nfs/dbraw/zinc/11/36/56/868113656.db2.gz JQWMDVMPORCSPF-HTAPYJJXSA-N 1 2 375.472 3.579 20 30 GHEDLO COc1ccc([C@@H](C/N=C/c2cc([N+](=O)[O-])ccc2O)[NH+]2CCCCC2)cc1 ZINC000005290647 882159210 /nfs/dbraw/zinc/15/92/10/882159210.db2.gz FXKXGBYNKZFVAL-YRXLECQKSA-N 1 2 383.448 3.955 20 30 GHEDLO N#Cc1cc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1OCC(F)(F)F ZINC000524257961 868804509 /nfs/dbraw/zinc/80/45/09/868804509.db2.gz FYXOHTJUSRAGML-LBPRGKRZSA-N 1 2 393.369 3.634 20 30 GHEDLO Cc1nc(C(C)(C)[NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)sc1C ZINC000744424862 868827538 /nfs/dbraw/zinc/82/75/38/868827538.db2.gz YLIFVFWZCRFLIC-OAHLLOKOSA-N 1 2 391.500 3.822 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@@H](C)c2cccc(C#N)c2)[C@H](C)C1 ZINC000462432413 869404879 /nfs/dbraw/zinc/40/48/79/869404879.db2.gz ZTPVZAIIZFPYBZ-MOPGFXCFSA-N 1 2 391.515 3.793 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@@H](C)c2cccc(C#N)c2)[C@H](C)C1 ZINC000462432413 869404891 /nfs/dbraw/zinc/40/48/91/869404891.db2.gz ZTPVZAIIZFPYBZ-MOPGFXCFSA-N 1 2 391.515 3.793 20 30 GHEDLO CCCOc1ccc2c(c1)CC[N@H+]([C@@H]1CCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000441084775 870322570 /nfs/dbraw/zinc/32/25/70/870322570.db2.gz AHHCJEHFHBGXAK-JOCHJYFZSA-N 1 2 375.472 3.511 20 30 GHEDLO CCCOc1ccc2c(c1)CC[N@@H+]([C@@H]1CCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000441084775 870322576 /nfs/dbraw/zinc/32/25/76/870322576.db2.gz AHHCJEHFHBGXAK-JOCHJYFZSA-N 1 2 375.472 3.511 20 30 GHEDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2nc3c(cc2C#N)CCC3)CC1 ZINC000462905288 870347891 /nfs/dbraw/zinc/34/78/91/870347891.db2.gz HXJBQCVIBZJDDC-OAQYLSRUSA-N 1 2 382.458 3.993 20 30 GHEDLO CC[C@@H](C#N)Oc1cc(CNc2[nH+]cnc3c2cnn3C(C)(C)C)ccc1OC ZINC000766406678 870707784 /nfs/dbraw/zinc/70/77/84/870707784.db2.gz DCVBFNIOHSGVTK-HNNXBMFYSA-N 1 2 394.479 3.883 20 30 GHEDLO N#Cc1ccc(C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 ZINC001193033722 870856988 /nfs/dbraw/zinc/85/69/88/870856988.db2.gz SNZOEZPCWAGPEW-UHFFFAOYSA-N 1 2 380.231 3.768 20 30 GHEDLO N#Cc1ccc(C[N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 ZINC001193033722 870856992 /nfs/dbraw/zinc/85/69/92/870856992.db2.gz SNZOEZPCWAGPEW-UHFFFAOYSA-N 1 2 380.231 3.768 20 30 GHEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)o2)c1 ZINC000441180318 870860660 /nfs/dbraw/zinc/86/06/60/870860660.db2.gz WIMYHBXKFUGRMI-SFHVURJKSA-N 1 2 388.427 3.717 20 30 GHEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)o2)c1 ZINC000441180318 870860669 /nfs/dbraw/zinc/86/06/69/870860669.db2.gz WIMYHBXKFUGRMI-SFHVURJKSA-N 1 2 388.427 3.717 20 30 GHEDLO C#CC(C)(C)[N@H+](C)CC(=O)N(Cc1ccccc1)c1nc2c(s1)CCCC2 ZINC001169243846 871343136 /nfs/dbraw/zinc/34/31/36/871343136.db2.gz VRHGGBQQQVZOQM-UHFFFAOYSA-N 1 2 381.545 3.899 20 30 GHEDLO C#CC(C)(C)[N@@H+](C)CC(=O)N(Cc1ccccc1)c1nc2c(s1)CCCC2 ZINC001169243846 871343158 /nfs/dbraw/zinc/34/31/58/871343158.db2.gz VRHGGBQQQVZOQM-UHFFFAOYSA-N 1 2 381.545 3.899 20 30 GHEDLO C=CCOc1ccc(C[NH2+][C@@H](C)c2ncc(Br)cn2)cc1OC ZINC000552083633 872020326 /nfs/dbraw/zinc/02/03/26/872020326.db2.gz QYEHIZANWHBWKD-LBPRGKRZSA-N 1 2 378.270 3.663 20 30 GHEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000447656930 872042109 /nfs/dbraw/zinc/04/21/09/872042109.db2.gz ONQQSFQXBJOJJV-KRWDZBQOSA-N 1 2 395.528 3.502 20 30 GHEDLO O=C(C#Cc1ccc2c(c1)OCO2)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000767090529 872259081 /nfs/dbraw/zinc/25/90/81/872259081.db2.gz FFUDBKUAKCPVHY-UHFFFAOYSA-N 1 2 385.423 3.605 20 30 GHEDLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)N[C@](C)(C#N)C2CC2)ccc1Br ZINC000619532062 872714956 /nfs/dbraw/zinc/71/49/56/872714956.db2.gz QBNRUIVFGHYOSY-PKOBYXMFSA-N 1 2 390.325 3.703 20 30 GHEDLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)N[C@](C)(C#N)C2CC2)ccc1Br ZINC000619532062 872714963 /nfs/dbraw/zinc/71/49/63/872714963.db2.gz QBNRUIVFGHYOSY-PKOBYXMFSA-N 1 2 390.325 3.703 20 30 GHEDLO Cn1cc([C@H]([NH2+]Cc2ccc(C#N)cc2OC(F)F)c2ccc(F)cc2)cn1 ZINC000478303617 872826484 /nfs/dbraw/zinc/82/64/84/872826484.db2.gz CNIGXNNJJIKWRS-LJQANCHMSA-N 1 2 386.377 3.911 20 30 GHEDLO C=C[C@@H](Sc1nnc([C@@H](C)[NH+]2CCCCC2)n1-c1ccccc1)C(=O)OC ZINC000619687546 872900922 /nfs/dbraw/zinc/90/09/22/872900922.db2.gz YSIMSQZGWRWQHX-NVXWUHKLSA-N 1 2 386.521 3.634 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(N3CCc4ccccc43)CC2)c(C#N)c1C ZINC000619722863 872922352 /nfs/dbraw/zinc/92/23/52/872922352.db2.gz HZNHQFLLGIZSAK-MRXNPFEDSA-N 1 2 392.503 3.622 20 30 GHEDLO COCCn1c(C)c(C)n(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1=S ZINC000767988135 873004187 /nfs/dbraw/zinc/00/41/87/873004187.db2.gz VARYEMBZRANVEA-UHFFFAOYSA-N 1 2 382.533 3.901 20 30 GHEDLO COCCn1c(C)c(C)n(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1=S ZINC000767988135 873004208 /nfs/dbraw/zinc/00/42/08/873004208.db2.gz VARYEMBZRANVEA-UHFFFAOYSA-N 1 2 382.533 3.901 20 30 GHEDLO N#Cc1ccc(C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)o1 ZINC000794292051 882674940 /nfs/dbraw/zinc/67/49/40/882674940.db2.gz CNYDMJDULJMNET-UHFFFAOYSA-N 1 2 382.423 3.993 20 30 GHEDLO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC001197030544 873554155 /nfs/dbraw/zinc/55/41/55/873554155.db2.gz BRAQLEGHTBAXTR-INIZCTEOSA-N 1 2 382.895 3.669 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](Oc2ccc(C)cn2)C1 ZINC000858031260 882755871 /nfs/dbraw/zinc/75/58/71/882755871.db2.gz DZCVGHSRBNABAY-QGZVFWFLSA-N 1 2 383.517 3.760 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C)cn2)C1 ZINC000858031260 882755884 /nfs/dbraw/zinc/75/58/84/882755884.db2.gz DZCVGHSRBNABAY-QGZVFWFLSA-N 1 2 383.517 3.760 20 30 GHEDLO CC(C)(C)OC(=O)N1CCN(c2ccc(NCc3cc(C#N)cs3)[nH+]c2)CC1 ZINC000769409400 874029957 /nfs/dbraw/zinc/02/99/57/874029957.db2.gz STZKICLNZSHZNH-UHFFFAOYSA-N 1 2 399.520 3.684 20 30 GHEDLO C[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)CC(C)(C)S(C)(=O)=O ZINC000769771324 874268789 /nfs/dbraw/zinc/26/87/89/874268789.db2.gz SHLYHWZOOJYVCN-UHFFFAOYSA-N 1 2 384.545 3.641 20 30 GHEDLO C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)CC(C)(C)S(C)(=O)=O ZINC000769771324 874268803 /nfs/dbraw/zinc/26/88/03/874268803.db2.gz SHLYHWZOOJYVCN-UHFFFAOYSA-N 1 2 384.545 3.641 20 30 GHEDLO CCc1cc2c(C[N@@H+]3CCO[C@@H](c4ccc(C#N)cc4)C3)cc(=O)oc2cc1O ZINC001198219518 874279904 /nfs/dbraw/zinc/27/99/04/874279904.db2.gz PFKGJDOWRCJKID-JOCHJYFZSA-N 1 2 390.439 3.506 20 30 GHEDLO CCc1cc2c(C[N@H+]3CCO[C@@H](c4ccc(C#N)cc4)C3)cc(=O)oc2cc1O ZINC001198219518 874279911 /nfs/dbraw/zinc/27/99/11/874279911.db2.gz PFKGJDOWRCJKID-JOCHJYFZSA-N 1 2 390.439 3.506 20 30 GHEDLO C#C[C@@H](C)[N@H+](C)CC(=O)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1 ZINC000769962978 874368032 /nfs/dbraw/zinc/36/80/32/874368032.db2.gz NMPNNMUSKVSNPA-QAPCUYQASA-N 1 2 375.428 3.657 20 30 GHEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1 ZINC000769962978 874368046 /nfs/dbraw/zinc/36/80/46/874368046.db2.gz NMPNNMUSKVSNPA-QAPCUYQASA-N 1 2 375.428 3.657 20 30 GHEDLO C[C@@H](C#N)CNC(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000541945843 874576816 /nfs/dbraw/zinc/57/68/16/874576816.db2.gz XTEPOLJRMXDAQM-LAUBAEHRSA-N 1 2 396.922 3.916 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c(C(F)(F)F)c1 ZINC000449426508 874843752 /nfs/dbraw/zinc/84/37/52/874843752.db2.gz VBULIIYINWEOCY-OALUTQOASA-N 1 2 378.369 3.877 20 30 GHEDLO N#Cc1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c(C(F)(F)F)c1 ZINC000449426508 874843760 /nfs/dbraw/zinc/84/37/60/874843760.db2.gz VBULIIYINWEOCY-OALUTQOASA-N 1 2 378.369 3.877 20 30 GHEDLO CS(=O)(=O)C[C@H]1CCCC[N@@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000449526927 875002800 /nfs/dbraw/zinc/00/28/00/875002800.db2.gz FYVQXJCQRZFZSF-OAQYLSRUSA-N 1 2 398.528 3.536 20 30 GHEDLO CS(=O)(=O)C[C@H]1CCCC[N@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000449526927 875002816 /nfs/dbraw/zinc/00/28/16/875002816.db2.gz FYVQXJCQRZFZSF-OAQYLSRUSA-N 1 2 398.528 3.536 20 30 GHEDLO COc1c(NCCSCc2csc(C[NH+](C)C)n2)ccc(F)c1C#N ZINC001168111934 875263646 /nfs/dbraw/zinc/26/36/46/875263646.db2.gz UKEWJRZJIXIDAV-UHFFFAOYSA-N 1 2 380.514 3.569 20 30 GHEDLO COc1c(Br)cc(Br)c(Nc2ccc(N)[nH+]c2)c1C#N ZINC001201291182 875595058 /nfs/dbraw/zinc/59/50/58/875595058.db2.gz FAIOWEARODKYFU-UHFFFAOYSA-N 1 2 398.058 3.813 20 30 GHEDLO C#CC[NH+]1CCC(C(=O)O[C@@H](C)C(=O)c2ccc(Oc3ccccc3)cc2)CC1 ZINC000772113362 875704419 /nfs/dbraw/zinc/70/44/19/875704419.db2.gz MTDTVNHXXYTVOD-SFHVURJKSA-N 1 2 391.467 3.939 20 30 GHEDLO C=CCN(CCc1ccco1)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000492145181 876319614 /nfs/dbraw/zinc/31/96/14/876319614.db2.gz UGLYCUROZHRZMW-UHFFFAOYSA-N 1 2 380.448 3.818 20 30 GHEDLO C#CCn1ccc(C[N@H+](CC)Cn2c3ccccc3nc2SC(F)F)n1 ZINC000788372298 878039742 /nfs/dbraw/zinc/03/97/42/878039742.db2.gz VXTFGYZFPRSWJO-UHFFFAOYSA-N 1 2 375.448 3.660 20 30 GHEDLO C#CCn1ccc(C[N@@H+](CC)Cn2c3ccccc3nc2SC(F)F)n1 ZINC000788372298 878039762 /nfs/dbraw/zinc/03/97/62/878039762.db2.gz VXTFGYZFPRSWJO-UHFFFAOYSA-N 1 2 375.448 3.660 20 30 GHEDLO C#CCOCC[N@H+](Cc1ccccn1)Cc1ccc(Br)cc1F ZINC000852115492 878083493 /nfs/dbraw/zinc/08/34/93/878083493.db2.gz HIJXANPNWBZPMB-UHFFFAOYSA-N 1 2 377.257 3.635 20 30 GHEDLO C#CCOCC[N@@H+](Cc1ccccn1)Cc1ccc(Br)cc1F ZINC000852115492 878083508 /nfs/dbraw/zinc/08/35/08/878083508.db2.gz HIJXANPNWBZPMB-UHFFFAOYSA-N 1 2 377.257 3.635 20 30 GHEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c(C#N)c1C ZINC000451554143 878141480 /nfs/dbraw/zinc/14/14/80/878141480.db2.gz ZJLOQCRKNZDIAX-MRXNPFEDSA-N 1 2 398.488 3.963 20 30 GHEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c(C#N)c1C ZINC000451554143 878141488 /nfs/dbraw/zinc/14/14/88/878141488.db2.gz ZJLOQCRKNZDIAX-MRXNPFEDSA-N 1 2 398.488 3.963 20 30 GHEDLO CC(C)(C)OC(=O)N1C[C@@H]([N@@H+]2Cc3cccc(C#N)c3C2)[C@H](O)c2ccccc21 ZINC000852212663 878145937 /nfs/dbraw/zinc/14/59/37/878145937.db2.gz AECDHQGNAFXGCQ-NHCUHLMSSA-N 1 2 391.471 3.731 20 30 GHEDLO CC(C)(C)OC(=O)N1C[C@@H]([N@H+]2Cc3cccc(C#N)c3C2)[C@H](O)c2ccccc21 ZINC000852212663 878145943 /nfs/dbraw/zinc/14/59/43/878145943.db2.gz AECDHQGNAFXGCQ-NHCUHLMSSA-N 1 2 391.471 3.731 20 30 GHEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+](C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000852330795 878248821 /nfs/dbraw/zinc/24/88/21/878248821.db2.gz GDFRGZGTRKRJAP-XLIONFOSSA-N 1 2 389.421 3.561 20 30 GHEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+](C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000852330795 878248837 /nfs/dbraw/zinc/24/88/37/878248837.db2.gz GDFRGZGTRKRJAP-XLIONFOSSA-N 1 2 389.421 3.561 20 30 GHEDLO N#Cc1cccc(CC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1 ZINC000530670338 878267263 /nfs/dbraw/zinc/26/72/63/878267263.db2.gz BWFOQKHBODLAOB-LJQANCHMSA-N 1 2 385.870 3.847 20 30 GHEDLO CC(=[NH+]Nc1ccc2c(cc[nH]c2=O)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000789059998 878572941 /nfs/dbraw/zinc/57/29/41/878572941.db2.gz FRCLJIPBVMUFEG-UHFFFAOYSA-N 1 2 396.878 3.854 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000285681709 912389734 /nfs/dbraw/zinc/38/97/34/912389734.db2.gz UUYYHFDQHWUZML-KRWDZBQOSA-N 1 2 388.455 3.683 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000285681709 912389755 /nfs/dbraw/zinc/38/97/55/912389755.db2.gz UUYYHFDQHWUZML-KRWDZBQOSA-N 1 2 388.455 3.683 20 30 GHEDLO C#C[C@H](CC)NC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000854069854 879498772 /nfs/dbraw/zinc/49/87/72/879498772.db2.gz DUNBVWGPIGDOTQ-OAHLLOKOSA-N 1 2 376.863 3.689 20 30 GHEDLO N#CCC[N@@H+](Cc1cc(Br)cc(Br)c1N)CC1CC1 ZINC000186690208 880957745 /nfs/dbraw/zinc/95/77/45/880957745.db2.gz FMZSSVBHXDKOQB-UHFFFAOYSA-N 1 2 387.119 3.919 20 30 GHEDLO N#CCC[N@H+](Cc1cc(Br)cc(Br)c1N)CC1CC1 ZINC000186690208 880957758 /nfs/dbraw/zinc/95/77/58/880957758.db2.gz FMZSSVBHXDKOQB-UHFFFAOYSA-N 1 2 387.119 3.919 20 30 GHEDLO N#Cc1ccc(N2CC[NH+]([C@H](CO)c3ccc(Cl)cc3)CC2)cc1Cl ZINC000609564163 883347319 /nfs/dbraw/zinc/34/73/19/883347319.db2.gz OADIYRLYCLBZNJ-LJQANCHMSA-N 1 2 376.287 3.721 20 30 GHEDLO N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@H](n4cc[nH+]c4)C3)cn2)c1 ZINC000609553600 883365185 /nfs/dbraw/zinc/36/51/85/883365185.db2.gz CKIOXVBJNQSAQJ-SFHVURJKSA-N 1 2 388.431 3.811 20 30 GHEDLO C=C1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001183624161 912709655 /nfs/dbraw/zinc/70/96/55/912709655.db2.gz OIZLSQNNMPRGEE-NRFANRHFSA-N 1 2 382.464 3.767 20 30 GHEDLO C[C@@H](c1cccc(NC(=O)C(C)(C)c2ccc(C#N)cc2)c1)[NH+]1CCOCC1 ZINC000859212093 883664492 /nfs/dbraw/zinc/66/44/92/883664492.db2.gz DVBOLKDAJPQQJO-KRWDZBQOSA-N 1 2 377.488 3.868 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)c(C#N)c1C ZINC000533928345 883782644 /nfs/dbraw/zinc/78/26/44/883782644.db2.gz TVRVAUJNICZVHM-CXAGYDPISA-N 1 2 387.867 3.902 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)c(C#N)c1C ZINC000533928345 883782649 /nfs/dbraw/zinc/78/26/49/883782649.db2.gz TVRVAUJNICZVHM-CXAGYDPISA-N 1 2 387.867 3.902 20 30 GHEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@H](O)c3ccc(C(F)(F)F)cc3)CCO2)c1 ZINC000761756467 884045395 /nfs/dbraw/zinc/04/53/95/884045395.db2.gz IYIQJWPUTYRVCD-OALUTQOASA-N 1 2 376.378 3.684 20 30 GHEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@H](O)c3ccc(C(F)(F)F)cc3)CCO2)c1 ZINC000761756467 884045410 /nfs/dbraw/zinc/04/54/10/884045410.db2.gz IYIQJWPUTYRVCD-OALUTQOASA-N 1 2 376.378 3.684 20 30 GHEDLO C#CCN(Cc1ccccc1)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000806213179 884454748 /nfs/dbraw/zinc/45/47/48/884454748.db2.gz MFXCPOYRGGEQPV-PMACEKPBSA-N 1 2 391.515 3.963 20 30 GHEDLO Cn1ccc2cc(CNC(=O)[C@H]3CCCC[N@@H+]3Cc3ccccc3C#N)ccc21 ZINC001183828602 912834357 /nfs/dbraw/zinc/83/43/57/912834357.db2.gz AGVPCDBLZFNORL-HSZRJFAPSA-N 1 2 386.499 3.721 20 30 GHEDLO Cn1ccc2cc(CNC(=O)[C@H]3CCCC[N@H+]3Cc3ccccc3C#N)ccc21 ZINC001183828602 912834367 /nfs/dbraw/zinc/83/43/67/912834367.db2.gz AGVPCDBLZFNORL-HSZRJFAPSA-N 1 2 386.499 3.721 20 30 GHEDLO CN(CCc1ccc(F)cc1)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183831909 912837890 /nfs/dbraw/zinc/83/78/90/912837890.db2.gz RRRWHMQDKUICLA-JOCHJYFZSA-N 1 2 379.479 3.753 20 30 GHEDLO CN(CCc1ccc(F)cc1)C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183831909 912837900 /nfs/dbraw/zinc/83/79/00/912837900.db2.gz RRRWHMQDKUICLA-JOCHJYFZSA-N 1 2 379.479 3.753 20 30 GHEDLO CC(C)(NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N)c1ccc(C#N)cc1 ZINC001183838869 912843092 /nfs/dbraw/zinc/84/30/92/912843092.db2.gz NFHJMRFIVYEXOF-JOCHJYFZSA-N 1 2 386.499 3.836 20 30 GHEDLO CC(C)(NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N)c1ccc(C#N)cc1 ZINC001183838869 912843103 /nfs/dbraw/zinc/84/31/03/912843103.db2.gz NFHJMRFIVYEXOF-JOCHJYFZSA-N 1 2 386.499 3.836 20 30 GHEDLO Cc1cc(Br)cn2c(/C=C/C(=O)c3cn4ccccc4n3)c[nH+]c12 ZINC000806555067 884805792 /nfs/dbraw/zinc/80/57/92/884805792.db2.gz KKQSIYHOOZAEGT-AATRIKPKSA-N 1 2 381.233 3.949 20 30 GHEDLO C#CCOc1ccc(NC(=O)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)cc1 ZINC000860622858 884857318 /nfs/dbraw/zinc/85/73/18/884857318.db2.gz RHZHFDQKKSUDOG-UHFFFAOYSA-N 1 2 388.471 3.530 20 30 GHEDLO Cc1[nH]c2ccc(C#N)cc2c1CC(=O)N(C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001183886063 912871905 /nfs/dbraw/zinc/87/19/05/912871905.db2.gz BHJFTRAAXYXDSL-UHFFFAOYSA-N 1 2 383.455 3.735 20 30 GHEDLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c(F)c1 ZINC000104713276 885572133 /nfs/dbraw/zinc/57/21/33/885572133.db2.gz ZPGUEXNSCBZOGL-MRXNPFEDSA-N 1 2 381.451 3.876 20 30 GHEDLO CC(C)c1cn(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(=S)n1C ZINC000747456292 886004697 /nfs/dbraw/zinc/00/46/97/886004697.db2.gz IESGIFHVNWQHGW-UHFFFAOYSA-N 1 2 397.548 3.859 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1cc(Cl)cc(Cl)c1)C2 ZINC001275287125 913001483 /nfs/dbraw/zinc/00/14/83/913001483.db2.gz LNWGYJVIJWSEGW-LJQANCHMSA-N 1 2 383.319 3.620 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cc(Cl)cc(Cl)c1)C2 ZINC001275287125 913001500 /nfs/dbraw/zinc/00/15/00/913001500.db2.gz LNWGYJVIJWSEGW-LJQANCHMSA-N 1 2 383.319 3.620 20 30 GHEDLO C[C@@H](c1ccco1)[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000119262895 886504134 /nfs/dbraw/zinc/50/41/34/886504134.db2.gz QUXSGJHVMIGPKJ-HNNXBMFYSA-N 1 2 390.405 3.992 20 30 GHEDLO C[C@@H](c1ccco1)[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000119262895 886504149 /nfs/dbraw/zinc/50/41/49/886504149.db2.gz QUXSGJHVMIGPKJ-HNNXBMFYSA-N 1 2 390.405 3.992 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](CN3C[C@H](c4ccccc4)OC3=O)CC2)cc1 ZINC000863260219 886973807 /nfs/dbraw/zinc/97/38/07/886973807.db2.gz UQNSXAMLOSIJKB-OAQYLSRUSA-N 1 2 377.444 3.552 20 30 GHEDLO CC(C)(C)OC(=O)NCc1ccc(C(N)=[NH+]OCc2ncccc2Cl)cc1 ZINC000863467763 887129708 /nfs/dbraw/zinc/12/97/08/887129708.db2.gz KFTXSRIGMZREGP-UHFFFAOYSA-N 1 2 390.871 3.597 20 30 GHEDLO CC#CCCCC(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000508664986 887350589 /nfs/dbraw/zinc/35/05/89/887350589.db2.gz UPTRHQUCIQMSBO-UHFFFAOYSA-N 1 2 388.309 3.868 20 30 GHEDLO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000131773613 887573707 /nfs/dbraw/zinc/57/37/07/887573707.db2.gz LTLZYQXKQZDEAR-CYBMUJFWSA-N 1 2 392.272 3.562 20 30 GHEDLO C[NH+](C)Cc1cnc(/C=C2/COc3c(Br)cccc3C2=O)s1 ZINC000794699423 887889460 /nfs/dbraw/zinc/88/94/60/887889460.db2.gz MCPMRJQLCKKFBF-POHAHGRESA-N 1 2 379.279 3.626 20 30 GHEDLO C[NH+](C)Cc1cnc(/C=C2\COc3cc(Br)ccc3C2=O)s1 ZINC000794709756 887958453 /nfs/dbraw/zinc/95/84/53/887958453.db2.gz COYCTBBZNZLARN-BJMVGYQFSA-N 1 2 379.279 3.626 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000532771393 888879710 /nfs/dbraw/zinc/87/97/10/888879710.db2.gz SWGROIVGKBYPDK-OAHLLOKOSA-N 1 2 397.500 3.738 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000532771393 888879724 /nfs/dbraw/zinc/87/97/24/888879724.db2.gz SWGROIVGKBYPDK-OAHLLOKOSA-N 1 2 397.500 3.738 20 30 GHEDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000811506257 889698242 /nfs/dbraw/zinc/69/82/42/889698242.db2.gz OFKSIGPFOFGSHL-CQSZACIVSA-N 1 2 380.288 3.504 20 30 GHEDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000811506257 889698245 /nfs/dbraw/zinc/69/82/45/889698245.db2.gz OFKSIGPFOFGSHL-CQSZACIVSA-N 1 2 380.288 3.504 20 30 GHEDLO Cc1cccn2c(/C=C\C(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)c[nH+]c12 ZINC000263634238 889990121 /nfs/dbraw/zinc/99/01/21/889990121.db2.gz CDXPCDNNDCFPAT-SREVYHEPSA-N 1 2 380.360 3.972 20 30 GHEDLO COc1ccc(CCO[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)cc1 ZINC000123211945 890434360 /nfs/dbraw/zinc/43/43/60/890434360.db2.gz JJTRBMFWEBZHNB-UHFFFAOYSA-N 1 2 377.444 3.549 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCN(C)c2ccccc2C1 ZINC000533414523 890498509 /nfs/dbraw/zinc/49/85/09/890498509.db2.gz IAWQWCGDWJGOLA-KRWDZBQOSA-N 1 2 394.544 3.971 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCN(C)c2ccccc2C1 ZINC000533414523 890498522 /nfs/dbraw/zinc/49/85/22/890498522.db2.gz IAWQWCGDWJGOLA-KRWDZBQOSA-N 1 2 394.544 3.971 20 30 GHEDLO CCN(C[C@H](C)C#N)C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000126914456 890815936 /nfs/dbraw/zinc/81/59/36/890815936.db2.gz MSOVQRYNKJGXNQ-PBHICJAKSA-N 1 2 378.314 3.594 20 30 GHEDLO C#C[C@H](NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1 ZINC000812924382 891129388 /nfs/dbraw/zinc/12/93/88/891129388.db2.gz KGDWNFQKMFPSKX-FVJLSDCUSA-N 1 2 395.478 3.931 20 30 GHEDLO C#C[C@H](NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1 ZINC000812924382 891129393 /nfs/dbraw/zinc/12/93/93/891129393.db2.gz KGDWNFQKMFPSKX-FVJLSDCUSA-N 1 2 395.478 3.931 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O ZINC000872259344 891218704 /nfs/dbraw/zinc/21/87/04/891218704.db2.gz TUXMGFQAVNFDFT-ITKAJJHTSA-N 1 2 387.549 3.501 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O ZINC000872259344 891218719 /nfs/dbraw/zinc/21/87/19/891218719.db2.gz TUXMGFQAVNFDFT-ITKAJJHTSA-N 1 2 387.549 3.501 20 30 GHEDLO C[C@H](Cc1cccc(Cl)c1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000533704042 891232382 /nfs/dbraw/zinc/23/23/82/891232382.db2.gz NNTRSQWTVWQWCM-QGZVFWFLSA-N 1 2 381.907 3.735 20 30 GHEDLO CCCCCCCCn1nc(C)c(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c1C ZINC001212017703 891346515 /nfs/dbraw/zinc/34/65/15/891346515.db2.gz GDFHAXDZSJFIEO-CALCHBBNSA-N 1 2 398.617 3.574 20 30 GHEDLO CCCCCCCCn1nc(C)c(S(=O)(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c1C ZINC001212017703 891346529 /nfs/dbraw/zinc/34/65/29/891346529.db2.gz GDFHAXDZSJFIEO-CALCHBBNSA-N 1 2 398.617 3.574 20 30 GHEDLO C#CCOc1cccc(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)c1 ZINC000124635759 891761400 /nfs/dbraw/zinc/76/14/00/891761400.db2.gz BFETZEPLXFFYGM-VXKWHMMOSA-N 1 2 386.455 3.945 20 30 GHEDLO C[N@@H+]1CCO[C@H]([C@H](Nc2c(C#N)nnc3ccccc32)c2ccc(Cl)cc2)C1 ZINC000497521756 891815800 /nfs/dbraw/zinc/81/58/00/891815800.db2.gz HJRCYPPZTOTJCR-VQTJNVASSA-N 1 2 393.878 3.639 20 30 GHEDLO C[N@H+]1CCO[C@H]([C@H](Nc2c(C#N)nnc3ccccc32)c2ccc(Cl)cc2)C1 ZINC000497521756 891815805 /nfs/dbraw/zinc/81/58/05/891815805.db2.gz HJRCYPPZTOTJCR-VQTJNVASSA-N 1 2 393.878 3.639 20 30 GHEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)C#Cc2cccs2)cc1 ZINC000825708527 891965958 /nfs/dbraw/zinc/96/59/58/891965958.db2.gz JWQAUKCGGSKVQJ-UHFFFAOYSA-N 1 2 393.512 3.814 20 30 GHEDLO C=CCSc1nc2ccccc2n1C[NH+]1CCN(C(=O)c2ccsc2)CC1 ZINC000917481711 892047626 /nfs/dbraw/zinc/04/76/26/892047626.db2.gz WINYGDXHCKBOBQ-UHFFFAOYSA-N 1 2 398.557 3.791 20 30 GHEDLO NC(=[NH+]OCc1cccc(C(=O)NCc2ccco2)c1)c1ccc(Cl)cc1 ZINC000917623259 892298128 /nfs/dbraw/zinc/29/81/28/892298128.db2.gz QFWVUKGBSGMODH-UHFFFAOYSA-N 1 2 383.835 3.700 20 30 GHEDLO C=CCn1cc2ccc(NC(=O)[C@H](c3ccccc3)[NH+]3CCSCC3)cc2n1 ZINC001134290887 892595959 /nfs/dbraw/zinc/59/59/59/892595959.db2.gz ASTSLPIVKDYGNX-NRFANRHFSA-N 1 2 392.528 3.951 20 30 GHEDLO N#Cc1cnc(Cl)c(C[NH+]2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)c1 ZINC000876612427 893255706 /nfs/dbraw/zinc/25/57/06/893255706.db2.gz LLLCPCMFTQUHHS-UHFFFAOYSA-N 1 2 390.274 3.506 20 30 GHEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C1 ZINC000455773284 893260128 /nfs/dbraw/zinc/26/01/28/893260128.db2.gz PFADXCKEXIQHAT-MRXNPFEDSA-N 1 2 395.507 3.956 20 30 GHEDLO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1[nH]nc(-c2ccc(Br)cc2)c1CC ZINC000876659461 893277164 /nfs/dbraw/zinc/27/71/64/893277164.db2.gz XVOZFCAVEHQDTB-ZDUSSCGKSA-N 1 2 397.704 3.810 20 30 GHEDLO N#Cc1cnc(Cl)c(C[NH2+][C@H]2CCOc3ccc(Br)cc32)c1 ZINC000876963020 893407998 /nfs/dbraw/zinc/40/79/98/893407998.db2.gz YCYHINXZMHRGKT-AWEZNQCLSA-N 1 2 378.657 3.983 20 30 GHEDLO C#CC[C@@H](COC)[NH2+]Cc1csc(N(C(C)=O)c2cccc(Cl)c2)n1 ZINC000877661942 893749645 /nfs/dbraw/zinc/74/96/45/893749645.db2.gz KBNOJWNXGUQFOF-HNNXBMFYSA-N 1 2 377.897 3.609 20 30 GHEDLO N#Cc1ccc(Nc2cccc(C(=O)N3CCN(c4cccc[nH+]4)CC3)c2)cc1 ZINC000154734888 893750533 /nfs/dbraw/zinc/75/05/33/893750533.db2.gz RBKBYRBLUUBJCK-UHFFFAOYSA-N 1 2 383.455 3.659 20 30 GHEDLO CC(=O)[C@@](C#N)(CC[N@@H+](C)Cc1ccc(Br)o1)c1ccccc1 ZINC000877917699 893894382 /nfs/dbraw/zinc/89/43/82/893894382.db2.gz BWFKMQOUGBRQBA-SFHVURJKSA-N 1 2 375.266 3.915 20 30 GHEDLO CC(=O)[C@@](C#N)(CC[N@H+](C)Cc1ccc(Br)o1)c1ccccc1 ZINC000877917699 893894402 /nfs/dbraw/zinc/89/44/02/893894402.db2.gz BWFKMQOUGBRQBA-SFHVURJKSA-N 1 2 375.266 3.915 20 30 GHEDLO CC[N@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000878113680 894029773 /nfs/dbraw/zinc/02/97/73/894029773.db2.gz KZWASENMJGKMFZ-LADGPHEKSA-N 1 2 389.499 3.554 20 30 GHEDLO CC[N@@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000878113680 894029790 /nfs/dbraw/zinc/02/97/90/894029790.db2.gz KZWASENMJGKMFZ-LADGPHEKSA-N 1 2 389.499 3.554 20 30 GHEDLO Cc1ccc(OCCCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1C ZINC001135509229 894736701 /nfs/dbraw/zinc/73/67/01/894736701.db2.gz NIGOWLNXGAAHSM-UHFFFAOYSA-N 1 2 391.515 3.679 20 30 GHEDLO C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)s1 ZINC000819239352 896484138 /nfs/dbraw/zinc/48/41/38/896484138.db2.gz RWXLJLZWCLTWLB-AWEZNQCLSA-N 1 2 396.969 3.899 20 30 GHEDLO N#Cc1ccccc1N1CCC(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000819849169 897019129 /nfs/dbraw/zinc/01/91/29/897019129.db2.gz UAHZDGJYTZEVEI-NRFANRHFSA-N 1 2 399.498 3.589 20 30 GHEDLO Cn1cc(C[N@H+](C)Cc2nc(-c3ccccc3)c[nH]2)c(-c2ccc(C#N)cc2)n1 ZINC000569027340 898283102 /nfs/dbraw/zinc/28/31/02/898283102.db2.gz LXXPEKDGXRYNIB-UHFFFAOYSA-N 1 2 382.471 3.981 20 30 GHEDLO Cn1cc(C[N@@H+](C)Cc2nc(-c3ccccc3)c[nH]2)c(-c2ccc(C#N)cc2)n1 ZINC000569027340 898283117 /nfs/dbraw/zinc/28/31/17/898283117.db2.gz LXXPEKDGXRYNIB-UHFFFAOYSA-N 1 2 382.471 3.981 20 30 GHEDLO CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)[NH+]1CCC(CCC#N)CC1 ZINC000569358141 898571933 /nfs/dbraw/zinc/57/19/33/898571933.db2.gz KDIUWMHLPBHWRO-AWEZNQCLSA-N 1 2 391.537 3.830 20 30 GHEDLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000805803145 898668097 /nfs/dbraw/zinc/66/80/97/898668097.db2.gz YLCMOFVWAMXOHI-BBRMVZONSA-N 1 2 379.888 3.730 20 30 GHEDLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000805803145 898668108 /nfs/dbraw/zinc/66/81/08/898668108.db2.gz YLCMOFVWAMXOHI-BBRMVZONSA-N 1 2 379.888 3.730 20 30 GHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH+]2CCC([C@H](C)O)CC2)c1C#N ZINC000111285562 898796449 /nfs/dbraw/zinc/79/64/49/898796449.db2.gz FZEBOSHMTCYLPW-KRWDZBQOSA-N 1 2 386.540 3.513 20 30 GHEDLO C#C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1ccc(Cl)cc1F ZINC001275498539 914297636 /nfs/dbraw/zinc/29/76/36/914297636.db2.gz PXPRZIBISIQYHR-INIZCTEOSA-N 1 2 398.781 3.677 20 30 GHEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000119178737 899554623 /nfs/dbraw/zinc/55/46/23/899554623.db2.gz NJXJGUAVLDRAKR-UHFFFAOYSA-N 1 2 393.491 3.542 20 30 GHEDLO C=CCn1c(-c2ccccc2F)nn(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)c1=S ZINC000884482401 900126203 /nfs/dbraw/zinc/12/62/03/900126203.db2.gz AVSOSRJETPUXSY-MAUKXSAKSA-N 1 2 388.512 3.865 20 30 GHEDLO C=CCn1c(-c2ccccc2F)nn(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)c1=S ZINC000884482401 900126215 /nfs/dbraw/zinc/12/62/15/900126215.db2.gz AVSOSRJETPUXSY-MAUKXSAKSA-N 1 2 388.512 3.865 20 30 GHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1=S ZINC000884483070 900127265 /nfs/dbraw/zinc/12/72/65/900127265.db2.gz NCHBSUJMSHSTEI-OALUTQOASA-N 1 2 384.549 3.649 20 30 GHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1=S ZINC000884483070 900127272 /nfs/dbraw/zinc/12/72/72/900127272.db2.gz NCHBSUJMSHSTEI-OALUTQOASA-N 1 2 384.549 3.649 20 30 GHEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CCC[C@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001143725087 900445540 /nfs/dbraw/zinc/44/55/40/900445540.db2.gz VDUZRECJQQPSND-QFIPXVFZSA-N 1 2 394.906 3.764 20 30 GHEDLO N#Cc1cccc(Cl)c1C[N@H+]1CCC[C@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001143725087 900445569 /nfs/dbraw/zinc/44/55/69/900445569.db2.gz VDUZRECJQQPSND-QFIPXVFZSA-N 1 2 394.906 3.764 20 30 GHEDLO N#CCCn1cc(C[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)c(-c2ccncc2)n1 ZINC000573554046 900556479 /nfs/dbraw/zinc/55/64/79/900556479.db2.gz FHXPVUPDBYSZQJ-NRFANRHFSA-N 1 2 391.450 3.571 20 30 GHEDLO N#CCCn1cc(C[N@H+]2CCO[C@H](c3cccc(F)c3)C2)c(-c2ccncc2)n1 ZINC000573554046 900556485 /nfs/dbraw/zinc/55/64/85/900556485.db2.gz FHXPVUPDBYSZQJ-NRFANRHFSA-N 1 2 391.450 3.571 20 30 GHEDLO COc1ccc(-c2ncc(C[N@@H+]3CC[C@@H]4SC(=O)C=C4C3)s2)cc1OC ZINC001144061357 901003714 /nfs/dbraw/zinc/00/37/14/901003714.db2.gz JPRQJJXRDDRTAG-KRWDZBQOSA-N 1 2 388.514 3.601 20 30 GHEDLO COc1ccc(-c2ncc(C[N@H+]3CC[C@@H]4SC(=O)C=C4C3)s2)cc1OC ZINC001144061357 901003727 /nfs/dbraw/zinc/00/37/27/901003727.db2.gz JPRQJJXRDDRTAG-KRWDZBQOSA-N 1 2 388.514 3.601 20 30 GHEDLO N#Cc1cncc(C[NH+]2CCN(c3cccc(OCc4ccccc4)c3)CC2)c1 ZINC001144086662 901031953 /nfs/dbraw/zinc/03/19/53/901031953.db2.gz WQMZHOPNMDBPPA-UHFFFAOYSA-N 1 2 384.483 3.854 20 30 GHEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1cc(C#N)ccc1Br ZINC000575360177 901210565 /nfs/dbraw/zinc/21/05/65/901210565.db2.gz XKKPFZXSFWWVSJ-UHFFFAOYSA-N 1 2 384.277 3.841 20 30 GHEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1cc(C#N)ccc1Br ZINC000575360177 901210581 /nfs/dbraw/zinc/21/05/81/901210581.db2.gz XKKPFZXSFWWVSJ-UHFFFAOYSA-N 1 2 384.277 3.841 20 30 GHEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000577825620 903242828 /nfs/dbraw/zinc/24/28/28/903242828.db2.gz FZQXUNJHGCXMTP-IBGZPJMESA-N 1 2 386.459 3.509 20 30 GHEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000577825620 903242846 /nfs/dbraw/zinc/24/28/46/903242846.db2.gz FZQXUNJHGCXMTP-IBGZPJMESA-N 1 2 386.459 3.509 20 30 GHEDLO CCCOc1c(Br)cc(F)cc1NC(=[NH2+])c1ccc(C(N)=O)cc1 ZINC001171259079 903348315 /nfs/dbraw/zinc/34/83/15/903348315.db2.gz UMDVFEFRDQLFCK-UHFFFAOYSA-N 1 2 394.244 3.513 20 30 GHEDLO C#CCC1(NC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CCOCC1 ZINC000888029362 904170392 /nfs/dbraw/zinc/17/03/92/904170392.db2.gz BKBKHKALBHIRQT-UHFFFAOYSA-N 1 2 378.476 3.580 20 30 GHEDLO N#C[C@H](C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc2ccccc2n1 ZINC000048851937 904214929 /nfs/dbraw/zinc/21/49/29/904214929.db2.gz IAAIREREZFCWQP-INIZCTEOSA-N 1 2 383.367 3.819 20 30 GHEDLO N#Cc1ccc(CN(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)C2CC2)cc1 ZINC000890255654 904962441 /nfs/dbraw/zinc/96/24/41/904962441.db2.gz WMJYZFKTMNYWJF-JOCHJYFZSA-N 1 2 385.471 3.870 20 30 GHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)C3(c4ccc(C#N)cc4)CC3)n2)C1 ZINC000189053672 905023634 /nfs/dbraw/zinc/02/36/34/905023634.db2.gz LSJVIQLEFNSAAJ-HNNXBMFYSA-N 1 2 380.517 3.917 20 30 GHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)C3(c4ccc(C#N)cc4)CC3)n2)C1 ZINC000189053672 905023652 /nfs/dbraw/zinc/02/36/52/905023652.db2.gz LSJVIQLEFNSAAJ-HNNXBMFYSA-N 1 2 380.517 3.917 20 30 GHEDLO CCOC(=O)[C@@H]1c2ccc(OC)cc2CC[N@@H+]1[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172318192 905471672 /nfs/dbraw/zinc/47/16/72/905471672.db2.gz ZUUCROKXLMLSOQ-AOMKIAJQSA-N 1 2 378.472 3.660 20 30 GHEDLO CCOC(=O)[C@@H]1c2ccc(OC)cc2CC[N@H+]1[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172318192 905471674 /nfs/dbraw/zinc/47/16/74/905471674.db2.gz ZUUCROKXLMLSOQ-AOMKIAJQSA-N 1 2 378.472 3.660 20 30 GHEDLO COc1cc(C)c([C@H](C)[NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)cc1OC ZINC000179620472 906544363 /nfs/dbraw/zinc/54/43/63/906544363.db2.gz OMZOMWHFFTXEPC-AWEZNQCLSA-N 1 2 378.432 3.785 20 30 GHEDLO C[C@H]1c2ncc(COCC3CCOCC3)n2CC[N@@H+]1C1CCC(C)(C#N)CC1 ZINC001173594721 906547254 /nfs/dbraw/zinc/54/72/54/906547254.db2.gz KFOMPDSIHMZHKM-QXAHSBQVSA-N 1 2 386.540 3.675 20 30 GHEDLO C[C@H]1c2ncc(COCC3CCOCC3)n2CC[N@H+]1C1CCC(C)(C#N)CC1 ZINC001173594721 906547264 /nfs/dbraw/zinc/54/72/64/906547264.db2.gz KFOMPDSIHMZHKM-QXAHSBQVSA-N 1 2 386.540 3.675 20 30 GHEDLO C=CC[N@@H+](CCOC)Cc1coc(-c2ccc(I)cc2)n1 ZINC000191131952 906658857 /nfs/dbraw/zinc/65/88/57/906658857.db2.gz SLOHRYVJBSORII-UHFFFAOYSA-N 1 2 398.244 3.581 20 30 GHEDLO C=CC[N@H+](CCOC)Cc1coc(-c2ccc(I)cc2)n1 ZINC000191131952 906658861 /nfs/dbraw/zinc/65/88/61/906658861.db2.gz SLOHRYVJBSORII-UHFFFAOYSA-N 1 2 398.244 3.581 20 30 GHEDLO Cn1cc(C[N@@H+]2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1C#N ZINC000191249298 906789734 /nfs/dbraw/zinc/78/97/34/906789734.db2.gz HNIHSJDUKPREMJ-QGZVFWFLSA-N 1 2 377.275 3.807 20 30 GHEDLO Cn1cc(C[N@H+]2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1C#N ZINC000191249298 906789746 /nfs/dbraw/zinc/78/97/46/906789746.db2.gz HNIHSJDUKPREMJ-QGZVFWFLSA-N 1 2 377.275 3.807 20 30 GHEDLO CN(C)c1ccc(Nc2c(C#N)cnn2-c2ccc(Br)cc2)c[nH+]1 ZINC001175342690 907483360 /nfs/dbraw/zinc/48/33/60/907483360.db2.gz WFZWLEMMSPWQDN-UHFFFAOYSA-N 1 2 383.253 3.711 20 30 GHEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCc3cc(F)c(Br)cc3C2)cc1 ZINC001176451973 908115297 /nfs/dbraw/zinc/11/52/97/908115297.db2.gz HGXRIGCKNVKMCB-SFHVURJKSA-N 1 2 375.241 3.552 20 30 GHEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCc3cc(F)c(Br)cc3C2)cc1 ZINC001176451973 908115302 /nfs/dbraw/zinc/11/53/02/908115302.db2.gz HGXRIGCKNVKMCB-SFHVURJKSA-N 1 2 375.241 3.552 20 30 GHEDLO COc1ccc(CC(N)=[NH+]OCc2ncc(-c3ccc(F)cc3)o2)cc1OC ZINC000195169917 908976451 /nfs/dbraw/zinc/97/64/51/908976451.db2.gz BVYVEWQFFHIRAM-UHFFFAOYSA-N 1 2 385.395 3.529 20 30 GHEDLO N#Cc1ccccc1COc1cccc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000299672714 921570498 /nfs/dbraw/zinc/57/04/98/921570498.db2.gz PPYVYKHZVWSBCY-UHFFFAOYSA-N 1 2 386.455 3.880 20 30 GHEDLO CCOc1cc(C[N@H+](C)C[C@H](C)C#N)ccc1OCC(=O)Nc1ccccc1 ZINC000271144783 910793898 /nfs/dbraw/zinc/79/38/98/910793898.db2.gz XSALEHVMSSKFTJ-QGZVFWFLSA-N 1 2 381.476 3.694 20 30 GHEDLO CCOc1cc(C[N@@H+](C)C[C@H](C)C#N)ccc1OCC(=O)Nc1ccccc1 ZINC000271144783 910793907 /nfs/dbraw/zinc/79/39/07/910793907.db2.gz XSALEHVMSSKFTJ-QGZVFWFLSA-N 1 2 381.476 3.694 20 30 GHEDLO CCS[C@H]1CCC[C@@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])C1 ZINC000247339778 911173428 /nfs/dbraw/zinc/17/34/28/911173428.db2.gz NQDAZEUFEPDGIC-CABCVRRESA-N 1 2 384.549 3.710 20 30 GHEDLO C=CCc1cc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc(OC)c1OC ZINC000247944914 911514389 /nfs/dbraw/zinc/51/43/89/911514389.db2.gz YROGMPCOYFTTHU-UHFFFAOYSA-N 1 2 377.444 3.548 20 30 GHEDLO CCCCCCCCS(=O)(=O)NCc1c[nH+]cn1Cc1ccc(F)cc1 ZINC001188030778 915723336 /nfs/dbraw/zinc/72/33/36/915723336.db2.gz UWMPSADURJGTRV-UHFFFAOYSA-N 1 2 381.517 3.850 20 30 GHEDLO N#Cc1ccc(C(=O)N(CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)cn1 ZINC000115378511 919450014 /nfs/dbraw/zinc/45/00/14/919450014.db2.gz YZSNWJOQJPVAGF-UHFFFAOYSA-N 1 2 397.841 3.675 20 30 GHEDLO N#Cc1ccc([C@@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)cc2)C(N)=O)cc1 ZINC000115595914 919456615 /nfs/dbraw/zinc/45/66/15/919456615.db2.gz KHOTUSGTBKEVBJ-OAQYLSRUSA-N 1 2 375.403 3.806 20 30 GHEDLO C=CCN(CC=C)C(=O)[C@H](C)Sc1nnc([C@@H](CC)[NH+](C)C)n1CCCC ZINC000298163564 920266571 /nfs/dbraw/zinc/26/65/71/920266571.db2.gz UVJOTMGHXSEYQB-DLBZAZTESA-N 1 2 393.601 3.772 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cc1 ZINC000369817638 923643735 /nfs/dbraw/zinc/64/37/35/923643735.db2.gz CTOBAMMEFZGBMY-MRXNPFEDSA-N 1 2 380.492 3.984 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cc1 ZINC000369817638 923643744 /nfs/dbraw/zinc/64/37/44/923643744.db2.gz CTOBAMMEFZGBMY-MRXNPFEDSA-N 1 2 380.492 3.984 20 30 GHEDLO N#CCCCNC(=O)[C@H]1CC12CC[NH+](Cc1c(F)ccc(F)c1Cl)CC2 ZINC001276072955 925231052 /nfs/dbraw/zinc/23/10/52/925231052.db2.gz VCDZPEUBYNGAGF-CQSZACIVSA-N 1 2 381.854 3.640 20 30 GHEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC001276081340 925342637 /nfs/dbraw/zinc/34/26/37/925342637.db2.gz IHMCYKLZODQSAF-SFHVURJKSA-N 1 2 384.829 3.949 20 30 GHEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC001276081340 925342648 /nfs/dbraw/zinc/34/26/48/925342648.db2.gz IHMCYKLZODQSAF-SFHVURJKSA-N 1 2 384.829 3.949 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)Cc1cn2c([nH+]1)CCCC2 ZINC000372990625 925803678 /nfs/dbraw/zinc/80/36/78/925803678.db2.gz QIVDQGOQXDSAJI-INIZCTEOSA-N 1 2 397.548 3.684 20 30 GHEDLO Cc1nc(C2([NH2+]CCC(=O)Nc3ccc(C#N)c(Cl)c3)CCCCC2)no1 ZINC000411343654 926316465 /nfs/dbraw/zinc/31/64/65/926316465.db2.gz BTRYGSUSEIMPIZ-UHFFFAOYSA-N 1 2 387.871 3.681 20 30 GHEDLO CCOC(=O)C[N@H+](CCC(=O)Nc1ccccc1C#N)[C@@H](C)c1ccccc1 ZINC000411407650 926367529 /nfs/dbraw/zinc/36/75/29/926367529.db2.gz MOAQCBOUJQANJC-KRWDZBQOSA-N 1 2 379.460 3.513 20 30 GHEDLO CCOC(=O)C[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@@H](C)c1ccccc1 ZINC000411407650 926367538 /nfs/dbraw/zinc/36/75/38/926367538.db2.gz MOAQCBOUJQANJC-KRWDZBQOSA-N 1 2 379.460 3.513 20 30 GHEDLO NC(=NOCc1cccc2ccccc21)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000725792250 926439913 /nfs/dbraw/zinc/43/99/13/926439913.db2.gz HAYACQIRKKSTJD-UHFFFAOYSA-N 1 2 375.472 3.509 20 30 GHEDLO N#Cc1ccc(NC(=S)NCc2cccc(Cn3cc[nH+]c3)c2)cc1Cl ZINC000726463744 926683513 /nfs/dbraw/zinc/68/35/13/926683513.db2.gz XYMSFCFEHJWVAI-UHFFFAOYSA-N 1 2 381.892 3.943 20 30 GHEDLO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000374292343 926990546 /nfs/dbraw/zinc/99/05/46/926990546.db2.gz NDOHWUVKDJGXFK-DLBZAZTESA-N 1 2 396.922 3.858 20 30 GHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000412079353 927079540 /nfs/dbraw/zinc/07/95/40/927079540.db2.gz UYLMAQIDWSTYHP-OXJNMPFZSA-N 1 2 386.492 3.606 20 30 GHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000412079353 927079563 /nfs/dbraw/zinc/07/95/63/927079563.db2.gz UYLMAQIDWSTYHP-OXJNMPFZSA-N 1 2 386.492 3.606 20 30 GHEDLO N#Cc1ccc(SCC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000374443007 927147464 /nfs/dbraw/zinc/14/74/64/927147464.db2.gz LZAFOMZLTIUMCZ-QGZVFWFLSA-N 1 2 380.517 3.589 20 30 GHEDLO Cn1cc(C#N)cc1C(=O)O[C@@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000751214461 928074698 /nfs/dbraw/zinc/07/46/98/928074698.db2.gz PIIARJBMEAIFKT-KRWDZBQOSA-N 1 2 389.242 3.998 20 30 GHEDLO N#Cc1ncc(C(F)(F)F)cc1N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000413237675 928352231 /nfs/dbraw/zinc/35/22/31/928352231.db2.gz XRYMLPFBSAFBJN-UHFFFAOYSA-N 1 2 397.404 3.974 20 30 GHEDLO C[C@H]1CC(=NN2C(=S)N=NC2Cc2cccc3ccccc32)C[N@@H+]1C1CC1 ZINC000753954679 929609829 /nfs/dbraw/zinc/60/98/29/929609829.db2.gz FKRNBILGYZIAOU-AWEZNQCLSA-N 1 2 377.517 3.772 20 30 GHEDLO C[C@H]1CC(=NN2C(=S)N=NC2Cc2cccc3ccccc32)C[N@H+]1C1CC1 ZINC000753954679 929609834 /nfs/dbraw/zinc/60/98/34/929609834.db2.gz FKRNBILGYZIAOU-AWEZNQCLSA-N 1 2 377.517 3.772 20 30 GHEDLO CCCC[C@H](ON=C(C)C)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000758053123 929904499 /nfs/dbraw/zinc/90/44/99/929904499.db2.gz SEVKUNKJEBBPES-XLIONFOSSA-N 1 2 375.513 3.990 20 30 GHEDLO N#Cc1cccc(C2(c3nc(-c4ccccc4C[NH+]4CCOCC4)no3)CC2)c1 ZINC000546302674 930037941 /nfs/dbraw/zinc/03/79/41/930037941.db2.gz GPEIZPIHRANZKY-UHFFFAOYSA-N 1 2 386.455 3.520 20 30 GHEDLO CC(C)OC[C@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)CCO1 ZINC000546736031 930391635 /nfs/dbraw/zinc/39/16/35/930391635.db2.gz GTHVHVRQPAZQSJ-HSZRJFAPSA-N 1 2 380.488 3.763 20 30 GHEDLO CC(C)OC[C@H]1C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)CCO1 ZINC000546736031 930391643 /nfs/dbraw/zinc/39/16/43/930391643.db2.gz GTHVHVRQPAZQSJ-HSZRJFAPSA-N 1 2 380.488 3.763 20 30 GHEDLO C#CC[N@@H+](CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)Cc1ccccc1 ZINC000796639903 930488832 /nfs/dbraw/zinc/48/88/32/930488832.db2.gz PKXMTFQWPQJFSY-NRFANRHFSA-N 1 2 392.499 3.503 20 30 GHEDLO C#CC[N@H+](CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)Cc1ccccc1 ZINC000796639903 930488835 /nfs/dbraw/zinc/48/88/35/930488835.db2.gz PKXMTFQWPQJFSY-NRFANRHFSA-N 1 2 392.499 3.503 20 30 GHEDLO C#CCCCCCC(=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000780451337 930523856 /nfs/dbraw/zinc/52/38/56/930523856.db2.gz DOSVPLZIAYBVKQ-UHFFFAOYSA-N 1 2 386.927 3.606 20 30 GHEDLO C#CCCCCCC(=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000780451337 930523860 /nfs/dbraw/zinc/52/38/60/930523860.db2.gz DOSVPLZIAYBVKQ-UHFFFAOYSA-N 1 2 386.927 3.606 20 30 GHEDLO COc1ccc(OC)c(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c1 ZINC000470994163 931083001 /nfs/dbraw/zinc/08/30/01/931083001.db2.gz LPKUTWXQYWQBFK-FQEVSTJZSA-N 1 2 385.895 3.740 20 30 GHEDLO CCOC(=O)c1[nH]c2c(c1C)C(=O)/C(=C\c1cc(-n3cc[nH+]c3)cs1)CC2 ZINC000783702041 931622696 /nfs/dbraw/zinc/62/26/96/931622696.db2.gz PTQPCMABSJAWEH-JYRVWZFOSA-N 1 2 381.457 3.960 20 30 GHEDLO C[N@@H+]1CCO[C@H]([C@H](Nc2ccc(C#N)c([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000558597303 932095979 /nfs/dbraw/zinc/09/59/79/932095979.db2.gz SGAZKKFFQAVPOB-RBUKOAKNSA-N 1 2 386.839 3.604 20 30 GHEDLO C[N@H+]1CCO[C@H]([C@H](Nc2ccc(C#N)c([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000558597303 932095985 /nfs/dbraw/zinc/09/59/85/932095985.db2.gz SGAZKKFFQAVPOB-RBUKOAKNSA-N 1 2 386.839 3.604 20 30 GHEDLO C=CCn1c(-c2cccnc2)nnc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000558671229 932154633 /nfs/dbraw/zinc/15/46/33/932154633.db2.gz LUZRUDZNGCCEIY-UHFFFAOYSA-N 1 2 394.910 3.502 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(c2snc(Cl)c2C#N)[C@@H](C)C1 ZINC000799327336 932952080 /nfs/dbraw/zinc/95/20/80/932952080.db2.gz OUXRFJSUBXWDAA-ZDUSSCGKSA-N 1 2 376.913 3.778 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(c2snc(Cl)c2C#N)[C@@H](C)C1 ZINC000799327336 932952084 /nfs/dbraw/zinc/95/20/84/932952084.db2.gz OUXRFJSUBXWDAA-ZDUSSCGKSA-N 1 2 376.913 3.778 20 30 GHEDLO COCCN(C)c1ccc(C=[NH+]Nc2ccc(C#N)cc2C(F)(F)F)cn1 ZINC000799493239 933019808 /nfs/dbraw/zinc/01/98/08/933019808.db2.gz VTLYYUZQRGURBE-UHFFFAOYSA-N 1 2 377.370 3.501 20 30 GHEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000929607524 933539310 /nfs/dbraw/zinc/53/93/10/933539310.db2.gz CSFZARZITMPYJN-AVRDEDQJSA-N 1 2 392.503 3.526 20 30 GHEDLO C=CCO[C@H]1CC[N@H+](CC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)C1 ZINC001116556996 933633078 /nfs/dbraw/zinc/63/30/78/933633078.db2.gz WHRNJYPQEARZDN-FQEVSTJZSA-N 1 2 394.519 3.745 20 30 GHEDLO C=CCO[C@H]1CC[N@@H+](CC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)C1 ZINC001116556996 933633097 /nfs/dbraw/zinc/63/30/97/933633097.db2.gz WHRNJYPQEARZDN-FQEVSTJZSA-N 1 2 394.519 3.745 20 30 GHEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC[C@H]1c1ccsc1 ZINC001121495733 934674142 /nfs/dbraw/zinc/67/41/42/934674142.db2.gz PCNCUSQTWSESNO-ZWKOTPCHSA-N 1 2 387.553 3.649 20 30 GHEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC[C@H]1c1ccsc1 ZINC001121495733 934674149 /nfs/dbraw/zinc/67/41/49/934674149.db2.gz PCNCUSQTWSESNO-ZWKOTPCHSA-N 1 2 387.553 3.649 20 30 GHEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC(OCC)CC1 ZINC001121683043 934737554 /nfs/dbraw/zinc/73/75/54/934737554.db2.gz ZSKWARMYZSRHCR-GOSISDBHSA-N 1 2 383.540 3.662 20 30 GHEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC(OCC)CC1 ZINC001121683043 934737558 /nfs/dbraw/zinc/73/75/58/934737558.db2.gz ZSKWARMYZSRHCR-GOSISDBHSA-N 1 2 383.540 3.662 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](c2ccn(C)n2)C1 ZINC000932131874 934830823 /nfs/dbraw/zinc/83/08/23/934830823.db2.gz AAFVBOZRQDBYIP-IAGOWNOFSA-N 1 2 397.548 3.632 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](c2ccn(C)n2)C1 ZINC000932131874 934830829 /nfs/dbraw/zinc/83/08/29/934830829.db2.gz AAFVBOZRQDBYIP-IAGOWNOFSA-N 1 2 397.548 3.632 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC[C@@H](Cc2nccs2)C1 ZINC001122440594 934870240 /nfs/dbraw/zinc/87/02/40/934870240.db2.gz FMRCMCGXQDKAAU-IRXDYDNUSA-N 1 2 386.569 3.537 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC[C@@H](Cc2nccs2)C1 ZINC001122440594 934870246 /nfs/dbraw/zinc/87/02/46/934870246.db2.gz FMRCMCGXQDKAAU-IRXDYDNUSA-N 1 2 386.569 3.537 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1Cc2ccc(C(C)=O)cc2C1 ZINC001122537581 934893343 /nfs/dbraw/zinc/89/33/43/934893343.db2.gz XGZYLLRKYXFWBP-HXUWFJFHSA-N 1 2 379.508 3.734 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1Cc2ccc(C(C)=O)cc2C1 ZINC001122537581 934893347 /nfs/dbraw/zinc/89/33/47/934893347.db2.gz XGZYLLRKYXFWBP-HXUWFJFHSA-N 1 2 379.508 3.734 20 30 GHEDLO CC[NH+](CC)[C@H](C(=O)[C@H](C#N)c1nccn1C)c1cccc(C(F)(F)F)c1 ZINC001122606887 934917295 /nfs/dbraw/zinc/91/72/95/934917295.db2.gz RWVOTEUKRVNMON-HOTGVXAUSA-N 1 2 378.398 3.698 20 30 GHEDLO CC(C)C[C@H](c1nnc(N2CCC(C)(C#N)CC2)n1CC1CC1)n1cc[nH+]c1 ZINC001123490331 935208572 /nfs/dbraw/zinc/20/85/72/935208572.db2.gz NSCFIQUEAHWVPP-GOSISDBHSA-N 1 2 381.528 3.650 20 30 GHEDLO C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC[N@H+]2C)n1Cc1cc(C)on1 ZINC001123797651 935290605 /nfs/dbraw/zinc/29/06/05/935290605.db2.gz OTTIKACHWHFPFU-HXUWFJFHSA-N 1 2 392.507 3.582 20 30 GHEDLO C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC[N@@H+]2C)n1Cc1cc(C)on1 ZINC001123797651 935290607 /nfs/dbraw/zinc/29/06/07/935290607.db2.gz OTTIKACHWHFPFU-HXUWFJFHSA-N 1 2 392.507 3.582 20 30 GHEDLO COc1ccc(C[N@@H+]2C[C@@H]3C[C@H](c4nc(C5CC5)cs4)O[C@@H]3C2)c(C#N)c1 ZINC001137699361 935731248 /nfs/dbraw/zinc/73/12/48/935731248.db2.gz GFBWJXORHJVIEG-PWIZWCRZSA-N 1 2 381.501 3.863 20 30 GHEDLO COc1ccc(C[N@H+]2C[C@@H]3C[C@H](c4nc(C5CC5)cs4)O[C@@H]3C2)c(C#N)c1 ZINC001137699361 935731251 /nfs/dbraw/zinc/73/12/51/935731251.db2.gz GFBWJXORHJVIEG-PWIZWCRZSA-N 1 2 381.501 3.863 20 30 GHEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc([C@H](C)C(F)(F)F)cc2)n1 ZINC000829322501 935795398 /nfs/dbraw/zinc/79/53/98/935795398.db2.gz UEIHSLWFIWIOLL-INIZCTEOSA-N 1 2 379.426 3.831 20 30 GHEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc([C@H](C)C(F)(F)F)cc2)n1 ZINC000829322501 935795402 /nfs/dbraw/zinc/79/54/02/935795402.db2.gz UEIHSLWFIWIOLL-INIZCTEOSA-N 1 2 379.426 3.831 20 30 GHEDLO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cccc(C(=O)[O-])c1C#N ZINC001594542748 986190177 /nfs/dbraw/zinc/19/01/77/986190177.db2.gz TXOOWEMFYWBRKB-IRXDYDNUSA-N 1 2 377.488 3.503 20 30 GHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000545171808 1015611210 /nfs/dbraw/zinc/61/12/10/1015611210.db2.gz ANFNNOLKAFYPAZ-LJQANCHMSA-N 1 2 390.325 3.593 20 30 GHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000545171808 1015611217 /nfs/dbraw/zinc/61/12/17/1015611217.db2.gz ANFNNOLKAFYPAZ-LJQANCHMSA-N 1 2 390.325 3.593 20 30 GHEDLO N#Cc1cc(C(F)(F)F)ccc1OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001226999817 1032228984 /nfs/dbraw/zinc/22/89/84/1032228984.db2.gz ZJCYRXPHOVBBJM-GOSISDBHSA-N 1 2 376.378 3.857 20 30 GHEDLO N#Cc1cc(C(F)(F)F)ccc1OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001226999817 1032228998 /nfs/dbraw/zinc/22/89/98/1032228998.db2.gz ZJCYRXPHOVBBJM-GOSISDBHSA-N 1 2 376.378 3.857 20 30 GHEDLO N#Cc1ccc(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(C(F)(F)F)c1 ZINC001227162340 1032300869 /nfs/dbraw/zinc/30/08/69/1032300869.db2.gz LQPLEAVYDFCDNY-QGZVFWFLSA-N 1 2 376.378 3.857 20 30 GHEDLO N#Cc1ccc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(C(F)(F)F)c1 ZINC001227162340 1032300881 /nfs/dbraw/zinc/30/08/81/1032300881.db2.gz LQPLEAVYDFCDNY-QGZVFWFLSA-N 1 2 376.378 3.857 20 30 GHEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000558128807 1017122836 /nfs/dbraw/zinc/12/28/36/1017122836.db2.gz ABWFAQPWIQXMIF-OAHLLOKOSA-N 1 2 385.493 3.826 20 30 GHEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000558128807 1017122848 /nfs/dbraw/zinc/12/28/48/1017122848.db2.gz ABWFAQPWIQXMIF-OAHLLOKOSA-N 1 2 385.493 3.826 20 30 GHEDLO N#CCn1c(=O)c2ccccc2nc1C[N@@H+](Cc1cccc(F)c1)C1CCC1 ZINC000932404380 1018266846 /nfs/dbraw/zinc/26/68/46/1018266846.db2.gz MDZABEVNFOHGFF-UHFFFAOYSA-N 1 2 376.435 3.614 20 30 GHEDLO N#CCn1c(=O)c2ccccc2nc1C[N@H+](Cc1cccc(F)c1)C1CCC1 ZINC000932404380 1018266857 /nfs/dbraw/zinc/26/68/57/1018266857.db2.gz MDZABEVNFOHGFF-UHFFFAOYSA-N 1 2 376.435 3.614 20 30 GHEDLO COc1cc(C[NH+]2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)sn1 ZINC000932945162 1018777087 /nfs/dbraw/zinc/77/70/87/1018777087.db2.gz RXDJLAPONJEPIP-HTQZYQBOSA-N 1 2 396.303 3.755 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@H+](C)CC(=O)Nc2cc(C)ccn2)cc1OC ZINC000628160324 1020673372 /nfs/dbraw/zinc/67/33/72/1020673372.db2.gz QTDZUCKJILQSBL-UHFFFAOYSA-N 1 2 389.883 3.687 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@@H+](C)CC(=O)Nc2cc(C)ccn2)cc1OC ZINC000628160324 1020673379 /nfs/dbraw/zinc/67/33/79/1020673379.db2.gz QTDZUCKJILQSBL-UHFFFAOYSA-N 1 2 389.883 3.687 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)cc1OC ZINC000628255933 1020684581 /nfs/dbraw/zinc/68/45/81/1020684581.db2.gz CAKOXXPVUUXVPE-HXUWFJFHSA-N 1 2 381.900 3.683 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)cc1OC ZINC000628255933 1020684584 /nfs/dbraw/zinc/68/45/84/1020684584.db2.gz CAKOXXPVUUXVPE-HXUWFJFHSA-N 1 2 381.900 3.683 20 30 GHEDLO CCO[C@@H]1C[C@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])C1(CC)CC ZINC000247134284 1021079066 /nfs/dbraw/zinc/07/90/66/1021079066.db2.gz SNKOJFZVPKLMAL-RBUKOAKNSA-N 1 2 396.535 3.630 20 30 GHEDLO N#Cc1c(F)cc(C[NH+]2CCC(Oc3ncnc4ccccc43)CC2)cc1F ZINC001140755908 1022447088 /nfs/dbraw/zinc/44/70/88/1022447088.db2.gz YNFKZFMJHRNZOC-UHFFFAOYSA-N 1 2 380.398 3.823 20 30 GHEDLO CCc1nc([C@H](C)[NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)cs1 ZINC000754790529 1022897642 /nfs/dbraw/zinc/89/76/42/1022897642.db2.gz FKEIDFPQUZIOLW-JSGCOSHPSA-N 1 2 377.473 3.593 20 30 GHEDLO C[C@@H](CCCC(F)(F)F)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000754863654 1022939218 /nfs/dbraw/zinc/93/92/18/1022939218.db2.gz SVDNFFRUCJGHRT-LBPRGKRZSA-N 1 2 380.414 3.767 20 30 GHEDLO C[N@H+](Cc1cc(C#N)ccc1Br)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000755041383 1023038584 /nfs/dbraw/zinc/03/85/84/1023038584.db2.gz ODBJIRIBYZTXEG-HNNXBMFYSA-N 1 2 394.313 3.762 20 30 GHEDLO C[N@@H+](Cc1cc(C#N)ccc1Br)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000755041383 1023038598 /nfs/dbraw/zinc/03/85/98/1023038598.db2.gz ODBJIRIBYZTXEG-HNNXBMFYSA-N 1 2 394.313 3.762 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+]2Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141107052 1023515911 /nfs/dbraw/zinc/51/59/11/1023515911.db2.gz OADNSQSJKKDZSB-GOSISDBHSA-N 1 2 396.944 3.831 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+]2Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141107052 1023515922 /nfs/dbraw/zinc/51/59/22/1023515922.db2.gz OADNSQSJKKDZSB-GOSISDBHSA-N 1 2 396.944 3.831 20 30 GHEDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141112934 1023529285 /nfs/dbraw/zinc/52/92/85/1023529285.db2.gz PZZSDHJUJFECTH-MNOVXSKESA-N 1 2 384.933 3.590 20 30 GHEDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141112934 1023529292 /nfs/dbraw/zinc/52/92/92/1023529292.db2.gz PZZSDHJUJFECTH-MNOVXSKESA-N 1 2 384.933 3.590 20 30 GHEDLO C#CC[N@@H+](Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)C1CCCC1 ZINC000756911373 1023860594 /nfs/dbraw/zinc/86/05/94/1023860594.db2.gz LBSAYJYIPVNYKN-UHFFFAOYSA-N 1 2 383.805 3.712 20 30 GHEDLO C#CC[N@H+](Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F)C1CCCC1 ZINC000756911373 1023860606 /nfs/dbraw/zinc/86/06/06/1023860606.db2.gz LBSAYJYIPVNYKN-UHFFFAOYSA-N 1 2 383.805 3.712 20 30 GHEDLO COC[C@H]1Cn2ccnc2C[N@H+](Cc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC001141292331 1024421775 /nfs/dbraw/zinc/42/17/75/1024421775.db2.gz YTJNHTQOFINUIQ-HXUWFJFHSA-N 1 2 388.471 3.825 20 30 GHEDLO COC[C@H]1Cn2ccnc2C[N@@H+](Cc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC001141292331 1024421786 /nfs/dbraw/zinc/42/17/86/1024421786.db2.gz YTJNHTQOFINUIQ-HXUWFJFHSA-N 1 2 388.471 3.825 20 30 GHEDLO C=CCOC(=O)N1CC[NH+](Cc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC001141295793 1024431612 /nfs/dbraw/zinc/43/16/12/1024431612.db2.gz KYKMHHPMPTZAFG-UHFFFAOYSA-N 1 2 377.444 3.791 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(OC(C)C)c(OC)c1 ZINC001138573361 1025047969 /nfs/dbraw/zinc/04/79/69/1025047969.db2.gz GMBBXJKTRKJMRC-IBGZPJMESA-N 1 2 385.508 3.518 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(OC(C)C)c(OC)c1 ZINC001138573361 1025047981 /nfs/dbraw/zinc/04/79/81/1025047981.db2.gz GMBBXJKTRKJMRC-IBGZPJMESA-N 1 2 385.508 3.518 20 30 GHEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1cccn1-c1ccccc1F)CC2 ZINC001138630131 1025131880 /nfs/dbraw/zinc/13/18/80/1025131880.db2.gz AYJVENKZHNWTDY-UHFFFAOYSA-N 1 2 380.467 3.611 20 30 GHEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1cccn1-c1ccccc1F)CC2 ZINC001138630131 1025131884 /nfs/dbraw/zinc/13/18/84/1025131884.db2.gz AYJVENKZHNWTDY-UHFFFAOYSA-N 1 2 380.467 3.611 20 30 GHEDLO C=CCOc1ccccc1C[N@@H+]1Cc2nn(CC3CC3)cc2[C@H](COCC)C1 ZINC001139028015 1025794591 /nfs/dbraw/zinc/79/45/91/1025794591.db2.gz IXKSHIHPLAJNOC-FQEVSTJZSA-N 1 2 381.520 3.994 20 30 GHEDLO C=CCOc1ccccc1C[N@H+]1Cc2nn(CC3CC3)cc2[C@H](COCC)C1 ZINC001139028015 1025794599 /nfs/dbraw/zinc/79/45/99/1025794599.db2.gz IXKSHIHPLAJNOC-FQEVSTJZSA-N 1 2 381.520 3.994 20 30 GHEDLO C=CCOc1ccccc1C[N@H+]1CCO[C@H]2[C@@H](Oc3ncccc3F)CC[C@@H]21 ZINC001139032812 1025805968 /nfs/dbraw/zinc/80/59/68/1025805968.db2.gz VVBMFPQZCJBUGP-SESVDKBCSA-N 1 2 384.451 3.596 20 30 GHEDLO C=CCOc1ccccc1C[N@@H+]1CCO[C@H]2[C@@H](Oc3ncccc3F)CC[C@@H]21 ZINC001139032812 1025805988 /nfs/dbraw/zinc/80/59/88/1025805988.db2.gz VVBMFPQZCJBUGP-SESVDKBCSA-N 1 2 384.451 3.596 20 30 GHEDLO C=CCOC[C@H]1C[N@H+](Cc2ccc3cccnc3c2)Cc2nnn(CC3CC3)c21 ZINC001139170311 1025994339 /nfs/dbraw/zinc/99/43/39/1025994339.db2.gz KXAIXXCUXLFVTH-HXUWFJFHSA-N 1 2 389.503 3.538 20 30 GHEDLO C=CCOC[C@H]1C[N@@H+](Cc2ccc3cccnc3c2)Cc2nnn(CC3CC3)c21 ZINC001139170311 1025994344 /nfs/dbraw/zinc/99/43/44/1025994344.db2.gz KXAIXXCUXLFVTH-HXUWFJFHSA-N 1 2 389.503 3.538 20 30 GHEDLO C#CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1cccc(C(=O)N(CC)CC)c1 ZINC000839601896 1026101307 /nfs/dbraw/zinc/10/13/07/1026101307.db2.gz OGXDBWOXLGUAPD-LJQANCHMSA-N 1 2 391.515 3.631 20 30 GHEDLO C#CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1cccc(C(=O)N(CC)CC)c1 ZINC000839601896 1026101317 /nfs/dbraw/zinc/10/13/17/1026101317.db2.gz OGXDBWOXLGUAPD-LJQANCHMSA-N 1 2 391.515 3.631 20 30 GHEDLO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cc(Cl)cnc3Cl)C2)C1 ZINC001139354350 1026226282 /nfs/dbraw/zinc/22/62/82/1026226282.db2.gz QCWMPVVRMVPRPB-SFHVURJKSA-N 1 2 384.307 3.999 20 30 GHEDLO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](Cc3cc(Cl)cnc3Cl)C2)C1 ZINC001139354350 1026226294 /nfs/dbraw/zinc/22/62/94/1026226294.db2.gz QCWMPVVRMVPRPB-SFHVURJKSA-N 1 2 384.307 3.999 20 30 GHEDLO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3c(Cl)ccnc3Cl)C2)C1 ZINC001139474861 1026337492 /nfs/dbraw/zinc/33/74/92/1026337492.db2.gz KEZBYZDEZUHNMT-SFHVURJKSA-N 1 2 384.307 3.999 20 30 GHEDLO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](Cc3c(Cl)ccnc3Cl)C2)C1 ZINC001139474861 1026337501 /nfs/dbraw/zinc/33/75/01/1026337501.db2.gz KEZBYZDEZUHNMT-SFHVURJKSA-N 1 2 384.307 3.999 20 30 GHEDLO N#Cc1ccc(F)c(C[N@@H+]2CCO[C@]3(CCC[C@H]3COCc3ccncc3)C2)c1 ZINC001139648179 1026509423 /nfs/dbraw/zinc/50/94/23/1026509423.db2.gz YULOWLLZERFBFJ-JTHBVZDNSA-N 1 2 395.478 3.680 20 30 GHEDLO N#Cc1ccc(F)c(C[N@H+]2CCO[C@]3(CCC[C@H]3COCc3ccncc3)C2)c1 ZINC001139648179 1026509431 /nfs/dbraw/zinc/50/94/31/1026509431.db2.gz YULOWLLZERFBFJ-JTHBVZDNSA-N 1 2 395.478 3.680 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1cccc(Cl)c1C#N)C2 ZINC001139691931 1026543794 /nfs/dbraw/zinc/54/37/94/1026543794.db2.gz JYXWBGOGWYEBSZ-JLVBRIDZSA-N 1 2 375.900 3.947 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1cccc(Cl)c1C#N)C2 ZINC001139691931 1026543803 /nfs/dbraw/zinc/54/38/03/1026543803.db2.gz JYXWBGOGWYEBSZ-JLVBRIDZSA-N 1 2 375.900 3.947 20 30 GHEDLO C=CCn1cc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)cn1 ZINC001139773133 1026605788 /nfs/dbraw/zinc/60/57/88/1026605788.db2.gz ZHPKNQFAEKVICX-OAQYLSRUSA-N 1 2 396.535 3.733 20 30 GHEDLO C=CCn1cc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccccc2)cn1 ZINC001139773133 1026605793 /nfs/dbraw/zinc/60/57/93/1026605793.db2.gz ZHPKNQFAEKVICX-OAQYLSRUSA-N 1 2 396.535 3.733 20 30 GHEDLO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H](F)C[C@H]2C#N)n1 ZINC001165193361 1026656877 /nfs/dbraw/zinc/65/68/77/1026656877.db2.gz QVOIUBNYOOCOPG-CABCVRRESA-N 1 2 381.480 3.860 20 30 GHEDLO CCOC[C@H]1C[N@H+](Cc2c[nH]c3ccc(C#N)cc23)Cc2ncn(CC3CC3)c21 ZINC001140111655 1026891760 /nfs/dbraw/zinc/89/17/60/1026891760.db2.gz BPGXSAAXKHSMGA-LJQANCHMSA-N 1 2 389.503 3.782 20 30 GHEDLO CCOC[C@H]1C[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)Cc2ncn(CC3CC3)c21 ZINC001140111655 1026891771 /nfs/dbraw/zinc/89/17/71/1026891771.db2.gz BPGXSAAXKHSMGA-LJQANCHMSA-N 1 2 389.503 3.782 20 30 GHEDLO COc1ccc(C[NH+]2CCC(C#N)(c3ccccc3F)CC2)c(OC)c1OC ZINC001203472671 1027362392 /nfs/dbraw/zinc/36/23/92/1027362392.db2.gz ZPYUVFSCYHWCGF-UHFFFAOYSA-N 1 2 384.451 3.909 20 30 GHEDLO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(F)(F)F)C[N@H+](Cc2cccc(C#N)c2)C1 ZINC001203762237 1027583482 /nfs/dbraw/zinc/58/34/82/1027583482.db2.gz BJWSQGUVRMNRRC-CVEARBPZSA-N 1 2 383.414 3.836 20 30 GHEDLO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(F)(F)F)C[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001203762237 1027583489 /nfs/dbraw/zinc/58/34/89/1027583489.db2.gz BJWSQGUVRMNRRC-CVEARBPZSA-N 1 2 383.414 3.836 20 30 GHEDLO N#Cc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC001141901005 1027622792 /nfs/dbraw/zinc/62/27/92/1027622792.db2.gz NKEOUDGQMRJAIT-MRXNPFEDSA-N 1 2 390.325 3.545 20 30 GHEDLO N#Cc1ccc(Br)cc1C[N@H+]1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC001141901005 1027622799 /nfs/dbraw/zinc/62/27/99/1027622799.db2.gz NKEOUDGQMRJAIT-MRXNPFEDSA-N 1 2 390.325 3.545 20 30 GHEDLO CSc1nc(C[NH+]2CCC(Oc3cnc4ccccc4n3)CC2)ccc1C#N ZINC001141943763 1027721937 /nfs/dbraw/zinc/72/19/37/1027721937.db2.gz JNCKHKPOARTOBQ-UHFFFAOYSA-N 1 2 391.500 3.662 20 30 GHEDLO CC#Cc1cncc(Nc2ccc[nH+]c2N2CCN(C(=O)OCCCC)CC2)c1 ZINC001211056155 1027770548 /nfs/dbraw/zinc/77/05/48/1027770548.db2.gz LGXFFZJDUMYMIH-UHFFFAOYSA-N 1 2 393.491 3.650 20 30 GHEDLO N#Cc1c2c(sc1Nc1ccc(OCC[NH+]3CCOCC3)cc1F)CCC2 ZINC001213478101 1028211738 /nfs/dbraw/zinc/21/17/38/1028211738.db2.gz PHIRAKQGPILZDR-UHFFFAOYSA-N 1 2 387.480 3.702 20 30 GHEDLO N#Cc1ccc(Cl)c(Nc2ccc(OCC[NH+]3CCOCC3)cc2F)c1 ZINC001213484830 1028216636 /nfs/dbraw/zinc/21/66/36/1028216636.db2.gz DWQBAJTYZYAUQN-UHFFFAOYSA-N 1 2 375.831 3.805 20 30 GHEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CCO[C@H](c2cccc(F)c2)[C@H]1C ZINC000842634952 1029440684 /nfs/dbraw/zinc/44/06/84/1029440684.db2.gz JVGZXMNZEVXPPE-VFNWGFHPSA-N 1 2 391.450 3.684 20 30 GHEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCO[C@H](c2cccc(F)c2)[C@H]1C ZINC000842634952 1029440698 /nfs/dbraw/zinc/44/06/98/1029440698.db2.gz JVGZXMNZEVXPPE-VFNWGFHPSA-N 1 2 391.450 3.684 20 30 GHEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+]2CC3(C[C@@H]2C)CCOCC3)c1=S ZINC000842638050 1029443712 /nfs/dbraw/zinc/44/37/12/1029443712.db2.gz WAZCLDQLGPRJTD-INIZCTEOSA-N 1 2 385.537 3.511 20 30 GHEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+]2CC3(C[C@@H]2C)CCOCC3)c1=S ZINC000842638050 1029443722 /nfs/dbraw/zinc/44/37/22/1029443722.db2.gz WAZCLDQLGPRJTD-INIZCTEOSA-N 1 2 385.537 3.511 20 30 GHEDLO COc1ccc(OC)c(/C(=N/O)O[C@@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC001223891096 1030793131 /nfs/dbraw/zinc/79/31/31/1030793131.db2.gz DFHPUKZJRPRUBQ-SLNYWTKHSA-N 1 2 390.867 3.784 20 30 GHEDLO COc1ccc(OC)c(/C(=N/O)O[C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC001223891096 1030793138 /nfs/dbraw/zinc/79/31/38/1030793138.db2.gz DFHPUKZJRPRUBQ-SLNYWTKHSA-N 1 2 390.867 3.784 20 30 GHEDLO N#Cc1cccc(CCC(=O)Nc2ccc(O[C@@H]3CC[NH2+]CC3(F)F)cc2)c1 ZINC001219456307 1031428495 /nfs/dbraw/zinc/42/84/95/1031428495.db2.gz LZDLXPMGEANFRU-LJQANCHMSA-N 1 2 385.414 3.506 20 30 GHEDLO C[C@@H](C(=O)Nc1ccc(C2CC2)c(C#N)c1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001153381466 1031567109 /nfs/dbraw/zinc/56/71/09/1031567109.db2.gz MEKXYXSJHDWVGC-INIZCTEOSA-N 1 2 392.478 3.724 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2cc([N+](=O)[O-])c(F)cc2Cl)C1 ZINC001226199731 1031845230 /nfs/dbraw/zinc/84/52/30/1031845230.db2.gz YMUQDDHSQWUSBA-CQSZACIVSA-N 1 2 375.787 3.912 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2cc([N+](=O)[O-])c(F)cc2Cl)C1 ZINC001226199731 1031845245 /nfs/dbraw/zinc/84/52/45/1031845245.db2.gz YMUQDDHSQWUSBA-CQSZACIVSA-N 1 2 375.787 3.912 20 30 GHEDLO C=CCCC1(CNC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCCC1 ZINC001220489233 1031961443 /nfs/dbraw/zinc/96/14/43/1031961443.db2.gz RKMDYXWDSIZQRF-NRFANRHFSA-N 1 2 385.552 3.713 20 30 GHEDLO C=CCCC1(CNC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCCC1 ZINC001220489233 1031961448 /nfs/dbraw/zinc/96/14/48/1031961448.db2.gz RKMDYXWDSIZQRF-NRFANRHFSA-N 1 2 385.552 3.713 20 30 GHEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC001461838998 1069783138 /nfs/dbraw/zinc/78/31/38/1069783138.db2.gz RODWNTRQTSLGOK-SFHVURJKSA-N 1 2 386.293 3.537 20 30 GHEDLO CCC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001229179945 1033324432 /nfs/dbraw/zinc/32/44/32/1033324432.db2.gz SAAXWMYLBPIVIO-GOSISDBHSA-N 1 2 379.416 3.712 20 30 GHEDLO CCC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001229179945 1033324440 /nfs/dbraw/zinc/32/44/40/1033324440.db2.gz SAAXWMYLBPIVIO-GOSISDBHSA-N 1 2 379.416 3.712 20 30 GHEDLO N#Cc1ccc(Br)c(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC001229230823 1033355016 /nfs/dbraw/zinc/35/50/16/1033355016.db2.gz QKVVRTDAVZAEAE-QGZVFWFLSA-N 1 2 387.277 3.601 20 30 GHEDLO N#Cc1ccc(Br)c(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC001229230823 1033355036 /nfs/dbraw/zinc/35/50/36/1033355036.db2.gz QKVVRTDAVZAEAE-QGZVFWFLSA-N 1 2 387.277 3.601 20 30 GHEDLO Cc1nc(O[C@H]2CC(F)(F)C2(F)F)c(C#N)cc1-c1ccc2[nH+]ccn2c1 ZINC001229769576 1033700776 /nfs/dbraw/zinc/70/07/76/1033700776.db2.gz SCPYQDLHGLWGMS-AWEZNQCLSA-N 1 2 376.313 3.998 20 30 GHEDLO C[N@H+]1[C@@H]2C[C@@H](OC3=CC(=O)C=CC3=NNc3ccc([N+](=O)[O-])cc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001230209459 1033945355 /nfs/dbraw/zinc/94/53/55/1033945355.db2.gz YCOYDZHNWCLPIL-XWCXMLJTSA-N 1 2 396.403 3.707 20 30 GHEDLO C[N@@H+]1[C@@H]2C[C@@H](OC3=CC(=O)C=CC3=NNc3ccc([N+](=O)[O-])cc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001230209459 1033945358 /nfs/dbraw/zinc/94/53/58/1033945358.db2.gz YCOYDZHNWCLPIL-XWCXMLJTSA-N 1 2 396.403 3.707 20 30 GHEDLO N#CC1(c2ccc(-c3ccc(C[NH+]4CCOCC4)cc3F)cc2)CCOCC1 ZINC001206704218 1033952412 /nfs/dbraw/zinc/95/24/12/1033952412.db2.gz SHFUZVOIDHFDFJ-UHFFFAOYSA-N 1 2 380.463 3.897 20 30 GHEDLO COc1cc(CCC#N)c(-c2ccc(C[NH+]3CCOCC3)cc2F)cc1OC ZINC001206712333 1033954099 /nfs/dbraw/zinc/95/40/99/1033954099.db2.gz JAKSTACGHDJBSE-UHFFFAOYSA-N 1 2 384.451 3.798 20 30 GHEDLO C=CCC[C@@H](NC(=O)N[C@H]1Cc2c[nH+]cn2C1)c1ccc(C(F)(F)F)cc1 ZINC001230693846 1034183737 /nfs/dbraw/zinc/18/37/37/1034183737.db2.gz MLJLRRMWKRUTKU-DOTOQJQBSA-N 1 2 378.398 3.833 20 30 GHEDLO CC(=O)c1c(O)c2ccccc2nc1O[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001231185087 1034450540 /nfs/dbraw/zinc/45/05/40/1034450540.db2.gz RKKDXEWBBZZYJH-GOSISDBHSA-N 1 2 387.439 3.668 20 30 GHEDLO CC(=O)c1c(O)c2ccccc2nc1O[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001231185087 1034450545 /nfs/dbraw/zinc/45/05/45/1034450545.db2.gz RKKDXEWBBZZYJH-GOSISDBHSA-N 1 2 387.439 3.668 20 30 GHEDLO COc1ccc(NC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1C#N ZINC001208405517 1034885591 /nfs/dbraw/zinc/88/55/91/1034885591.db2.gz AEWAQXGNVVSTNR-FQEVSTJZSA-N 1 2 389.459 3.943 20 30 GHEDLO N#Cc1cc(Oc2ccc(NC(=O)c3cc(-n4cc[nH+]c4)ccc3O)cc2)ccn1 ZINC001160476861 1034986606 /nfs/dbraw/zinc/98/66/06/1034986606.db2.gz BHCLCJYKZSBDQV-UHFFFAOYSA-N 1 2 397.394 3.889 20 30 GHEDLO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1nc(Br)ccc1F)CC2 ZINC001231942563 1035000789 /nfs/dbraw/zinc/00/07/89/1035000789.db2.gz LIOIPYYYAIJDIR-GOSISDBHSA-N 1 2 396.304 3.516 20 30 GHEDLO C=CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1nc(Br)ccc1F)CC2 ZINC001231942563 1035000798 /nfs/dbraw/zinc/00/07/98/1035000798.db2.gz LIOIPYYYAIJDIR-GOSISDBHSA-N 1 2 396.304 3.516 20 30 GHEDLO CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)C[NH2+]CCC#N ZINC001160577075 1035007728 /nfs/dbraw/zinc/00/77/28/1035007728.db2.gz FCGNMEXWYHSRAP-UHFFFAOYSA-N 1 2 392.714 3.767 20 30 GHEDLO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1c(Cl)n(C)nc1C(F)F)C2 ZINC001232053059 1035064818 /nfs/dbraw/zinc/06/48/18/1035064818.db2.gz LWETZJNERCWOLF-GOSISDBHSA-N 1 2 386.874 3.544 20 30 GHEDLO C=CCN1C(=O)CCC[C@]12CCC[N@H+](Cc1c(Cl)n(C)nc1C(F)F)C2 ZINC001232053059 1035064829 /nfs/dbraw/zinc/06/48/29/1035064829.db2.gz LWETZJNERCWOLF-GOSISDBHSA-N 1 2 386.874 3.544 20 30 GHEDLO COCCOc1ccccc1N1CC[NH+](Cc2ccc(C#N)c(Cl)c2)CC1 ZINC001232116508 1035104743 /nfs/dbraw/zinc/10/47/43/1035104743.db2.gz NUSOSFRGNUXOSG-UHFFFAOYSA-N 1 2 385.895 3.559 20 30 GHEDLO CCn1c2ccccc2nc1N1CC[NH+](Cc2ccc(C#N)c(Cl)c2)CC1 ZINC001232118533 1035105780 /nfs/dbraw/zinc/10/57/80/1035105780.db2.gz NYYQKSWDSBXUNM-UHFFFAOYSA-N 1 2 379.895 3.903 20 30 GHEDLO C[NH+]1CCN(C(=O)c2cccc(-c3cc(/C=N/O)cc(C(F)(F)F)c3)c2)CC1 ZINC001241880616 1035740940 /nfs/dbraw/zinc/74/09/40/1035740940.db2.gz NEUKIGKANHSLTH-ZMOGYAJESA-N 1 2 391.393 3.568 20 30 GHEDLO CC(C)(C)COS(=O)(=O)c1ccc(-c2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC001242178071 1035849916 /nfs/dbraw/zinc/84/99/16/1035849916.db2.gz PEEDYCPXDOVXCQ-UHFFFAOYSA-N 1 2 385.489 3.745 20 30 GHEDLO N#Cc1ccc2nccc(-c3ccc(OCC[NH+]4CCOCC4)cc3F)c2c1 ZINC001244136400 1036391399 /nfs/dbraw/zinc/39/13/99/1036391399.db2.gz RAPHMPPCGFVUAF-UHFFFAOYSA-N 1 2 377.419 3.624 20 30 GHEDLO C=CCCCCCC[C@@H](O)CNc1c2c(nn1C(=O)OCC)C(C)(C)[NH2+]C2 ZINC001245991839 1037114260 /nfs/dbraw/zinc/11/42/60/1037114260.db2.gz AUNANBMOIWEBLT-OAHLLOKOSA-N 1 2 378.517 3.525 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2cc(C#N)ccn2)[C@@H](Cc2ccccc2)C1 ZINC001232478701 1038260921 /nfs/dbraw/zinc/26/09/21/1038260921.db2.gz JUJKKFPHQUOLPF-NRFANRHFSA-N 1 2 392.503 3.617 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2cc(C#N)ccn2)[C@@H](Cc2ccccc2)C1 ZINC001232478701 1038260924 /nfs/dbraw/zinc/26/09/24/1038260924.db2.gz JUJKKFPHQUOLPF-NRFANRHFSA-N 1 2 392.503 3.617 20 30 GHEDLO CC(C)(C)OC(=O)Nc1ncccc1C[NH+]1CCN(c2cccc(C#N)c2)CC1 ZINC001232542762 1038308704 /nfs/dbraw/zinc/30/87/04/1038308704.db2.gz BIHXEWFKUJBXNX-UHFFFAOYSA-N 1 2 393.491 3.622 20 30 GHEDLO C=CCOC[C@H]1C[N@H+](Cc2cccc3c2CCCC3)Cc2nnn(CC3CC3)c21 ZINC001232635552 1038422678 /nfs/dbraw/zinc/42/26/78/1038422678.db2.gz KVUDGCNBAFAZLW-OAQYLSRUSA-N 1 2 392.547 3.869 20 30 GHEDLO C=CCOC[C@H]1C[N@@H+](Cc2cccc3c2CCCC3)Cc2nnn(CC3CC3)c21 ZINC001232635552 1038422684 /nfs/dbraw/zinc/42/26/84/1038422684.db2.gz KVUDGCNBAFAZLW-OAQYLSRUSA-N 1 2 392.547 3.869 20 30 GHEDLO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(F)(F)F)C[N@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232678997 1038475908 /nfs/dbraw/zinc/47/59/08/1038475908.db2.gz XTZNNSURPPZZSQ-CABCVRRESA-N 1 2 399.413 3.541 20 30 GHEDLO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(F)(F)F)C[N@@H+](Cc2cc(C#N)ccc2O)C1 ZINC001232678997 1038475910 /nfs/dbraw/zinc/47/59/10/1038475910.db2.gz XTZNNSURPPZZSQ-CABCVRRESA-N 1 2 399.413 3.541 20 30 GHEDLO CC(C)(C)OC(=O)NCC[N@H+](Cc1ccccc1)Cc1cc(C#N)ccc1O ZINC001232680280 1038476536 /nfs/dbraw/zinc/47/65/36/1038476536.db2.gz BJDUDGMCKMQUIM-UHFFFAOYSA-N 1 2 381.476 3.791 20 30 GHEDLO CC(C)(C)OC(=O)NCC[N@@H+](Cc1ccccc1)Cc1cc(C#N)ccc1O ZINC001232680280 1038476538 /nfs/dbraw/zinc/47/65/38/1038476538.db2.gz BJDUDGMCKMQUIM-UHFFFAOYSA-N 1 2 381.476 3.791 20 30 GHEDLO N#Cc1cc(C[N@@H+]2CC[C@H](F)[C@@](O)(C(F)(F)F)CC2)ccc1Br ZINC001232894392 1038687896 /nfs/dbraw/zinc/68/78/96/1038687896.db2.gz ZALKWSOVPOYKPB-UONOGXRCSA-N 1 2 395.194 3.548 20 30 GHEDLO N#Cc1cc(C[N@H+]2CC[C@H](F)[C@@](O)(C(F)(F)F)CC2)ccc1Br ZINC001232894392 1038687899 /nfs/dbraw/zinc/68/78/99/1038687899.db2.gz ZALKWSOVPOYKPB-UONOGXRCSA-N 1 2 395.194 3.548 20 30 GHEDLO C[C@](O)(C1CC[NH+](Cc2ccc(Br)c(C#N)c2)CC1)C(F)(F)F ZINC001232899581 1038696352 /nfs/dbraw/zinc/69/63/52/1038696352.db2.gz RQJSAPKUKUNPLW-HNNXBMFYSA-N 1 2 391.231 3.846 20 30 GHEDLO CCOC(=O)[C@H]1CSCC[N@@H+]1C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254359680 1040191141 /nfs/dbraw/zinc/19/11/41/1040191141.db2.gz NNPMJVRNNQNMCI-QPIRBTGLSA-N 1 2 376.497 3.510 20 30 GHEDLO CCOC(=O)[C@H]1CSCC[N@H+]1C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254359680 1040191148 /nfs/dbraw/zinc/19/11/48/1040191148.db2.gz NNPMJVRNNQNMCI-QPIRBTGLSA-N 1 2 376.497 3.510 20 30 GHEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1c(F)cc(F)cc1Br)CC2 ZINC001234742598 1040268330 /nfs/dbraw/zinc/26/83/30/1040268330.db2.gz PBZHRNQBBBSXIV-UHFFFAOYSA-N 1 2 399.279 3.870 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001235681742 1041147276 /nfs/dbraw/zinc/14/72/76/1041147276.db2.gz JXOLHFWJLSTWKR-LJQANCHMSA-N 1 2 384.524 3.603 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001235681742 1041147305 /nfs/dbraw/zinc/14/73/05/1041147305.db2.gz JXOLHFWJLSTWKR-LJQANCHMSA-N 1 2 384.524 3.603 20 30 GHEDLO N#CCCCN1CC[C@]2(CCC[N@H+]2Cc2c(O)ccc(Cl)c2Cl)C1=O ZINC001277992194 1041798588 /nfs/dbraw/zinc/79/85/88/1041798588.db2.gz FAAHMUOBSIEKMB-GOSISDBHSA-N 1 2 382.291 3.570 20 30 GHEDLO N#CCCCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c(O)ccc(Cl)c1Cl ZINC001277993295 1041801590 /nfs/dbraw/zinc/80/15/90/1041801590.db2.gz XFHAORQKGRQTBR-IBGZPJMESA-N 1 2 396.318 3.960 20 30 GHEDLO N#CCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c(O)ccc(Cl)c1Cl ZINC001277993295 1041801595 /nfs/dbraw/zinc/80/15/95/1041801595.db2.gz XFHAORQKGRQTBR-IBGZPJMESA-N 1 2 396.318 3.960 20 30 GHEDLO CO[C@H](CN1CC[NH+](Cc2cn(C)c3ccc(C#N)cc23)CC1)c1ccccc1 ZINC001237472428 1042223653 /nfs/dbraw/zinc/22/36/53/1042223653.db2.gz HTNDMDRVHKRVBF-XMMPIXPASA-N 1 2 388.515 3.555 20 30 GHEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3cc(Cl)nc(C(F)(F)F)c3)CC2)nc1 ZINC001237497798 1042236823 /nfs/dbraw/zinc/23/68/23/1042236823.db2.gz HNDOPRZMUAJWPH-UHFFFAOYSA-N 1 2 395.816 3.733 20 30 GHEDLO N#Cc1ccc(N2CCC[N@H+](Cc3cc(Cl)nc(C(F)(F)F)c3)CC2)nc1 ZINC001237497798 1042236825 /nfs/dbraw/zinc/23/68/25/1042236825.db2.gz HNDOPRZMUAJWPH-UHFFFAOYSA-N 1 2 395.816 3.733 20 30 GHEDLO N#Cc1cc(C[N@@H+]2CC[C@H]3O[C@@H](COCc4cccnc4)CC[C@H]32)c(F)cc1F ZINC001237527011 1042251699 /nfs/dbraw/zinc/25/16/99/1042251699.db2.gz QCNGGOGFTYWDBY-STZQEDGTSA-N 1 2 399.441 3.570 20 30 GHEDLO N#Cc1cc(C[N@H+]2CC[C@H]3O[C@@H](COCc4cccnc4)CC[C@H]32)c(F)cc1F ZINC001237527011 1042251706 /nfs/dbraw/zinc/25/17/06/1042251706.db2.gz QCNGGOGFTYWDBY-STZQEDGTSA-N 1 2 399.441 3.570 20 30 GHEDLO N#Cc1ccc2nc(C[N@@H+](CCO)Cc3ccc(Cl)c(Cl)c3)cn2c1 ZINC001237606078 1042278880 /nfs/dbraw/zinc/27/88/80/1042278880.db2.gz ISBHKJURZGWROK-UHFFFAOYSA-N 1 2 375.259 3.507 20 30 GHEDLO N#Cc1ccc2nc(C[N@H+](CCO)Cc3ccc(Cl)c(Cl)c3)cn2c1 ZINC001237606078 1042278885 /nfs/dbraw/zinc/27/88/85/1042278885.db2.gz ISBHKJURZGWROK-UHFFFAOYSA-N 1 2 375.259 3.507 20 30 GHEDLO CCC[N@H+](Cc1cn2cc(C#N)ccc2n1)[C@@H](C)C(=O)Nc1ccccc1C ZINC001237616691 1042283310 /nfs/dbraw/zinc/28/33/10/1042283310.db2.gz FHVCYLAHFBERDY-KRWDZBQOSA-N 1 2 375.476 3.754 20 30 GHEDLO CCC[N@@H+](Cc1cn2cc(C#N)ccc2n1)[C@@H](C)C(=O)Nc1ccccc1C ZINC001237616691 1042283315 /nfs/dbraw/zinc/28/33/15/1042283315.db2.gz FHVCYLAHFBERDY-KRWDZBQOSA-N 1 2 375.476 3.754 20 30 GHEDLO CCOC(=O)c1ccc(N2CC[NH+](Cc3cc(Cl)cc(C#N)c3)CC2)cc1 ZINC001237754148 1042355114 /nfs/dbraw/zinc/35/51/14/1042355114.db2.gz SVGIKIFSCXYALY-UHFFFAOYSA-N 1 2 383.879 3.711 20 30 GHEDLO N#Cc1ccc(C[N@H+]2Cc3cncn3C[C@@H](COc3cccnc3)C2)c(Cl)c1 ZINC001238082932 1042486034 /nfs/dbraw/zinc/48/60/34/1042486034.db2.gz NOZCMHLNQHJABX-KRWDZBQOSA-N 1 2 393.878 3.514 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2Cc3cncn3C[C@@H](COc3cccnc3)C2)c(Cl)c1 ZINC001238082932 1042486037 /nfs/dbraw/zinc/48/60/37/1042486037.db2.gz NOZCMHLNQHJABX-KRWDZBQOSA-N 1 2 393.878 3.514 20 30 GHEDLO COc1cnc(F)c(C[NH+]2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)c1 ZINC001238123003 1042497409 /nfs/dbraw/zinc/49/74/09/1042497409.db2.gz LTJUSXPNGQABGU-UHFFFAOYSA-N 1 2 375.831 3.798 20 30 GHEDLO CC(C)(C)OC(=O)N1CCc2cccc(C[N@@H+]3CC[C@@H]4SC(=O)C=C4C3)c21 ZINC001238201728 1042517931 /nfs/dbraw/zinc/51/79/31/1042517931.db2.gz HUZNCIRRKUYRJD-KRWDZBQOSA-N 1 2 386.517 3.758 20 30 GHEDLO CC(C)(C)OC(=O)N1CCc2cccc(C[N@H+]3CC[C@@H]4SC(=O)C=C4C3)c21 ZINC001238201728 1042517934 /nfs/dbraw/zinc/51/79/34/1042517934.db2.gz HUZNCIRRKUYRJD-KRWDZBQOSA-N 1 2 386.517 3.758 20 30 GHEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCC[C@@H]1c1ccsc1 ZINC001262939362 1046437423 /nfs/dbraw/zinc/43/74/23/1046437423.db2.gz DDAVFVFPIUNDSK-QRVBRYPASA-N 1 2 399.564 3.793 20 30 GHEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCC[C@@H]1c1ccsc1 ZINC001262939362 1046437428 /nfs/dbraw/zinc/43/74/28/1046437428.db2.gz DDAVFVFPIUNDSK-QRVBRYPASA-N 1 2 399.564 3.793 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@@H]1c1cccs1 ZINC001262977562 1046462347 /nfs/dbraw/zinc/46/23/47/1046462347.db2.gz IYKGPMLZMSRZEZ-GOSISDBHSA-N 1 2 396.564 3.960 20 30 GHEDLO C=CCN(CCc1ccccc1)c1nnc(C)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001301399381 1046526439 /nfs/dbraw/zinc/52/64/39/1046526439.db2.gz LCCLBEQLLYEXHD-OAQYLSRUSA-N 1 2 390.535 3.904 20 30 GHEDLO Cc1cc(Cl)c(Cl)cc1CN1CC2(CC[N@H+]2Cc2cc(C#N)n(C)c2)C1 ZINC001280093259 1048078276 /nfs/dbraw/zinc/07/82/76/1048078276.db2.gz WSTDXFYMFVYGOQ-UHFFFAOYSA-N 1 2 389.330 3.972 20 30 GHEDLO Cc1cc(Cl)c(Cl)cc1CN1CC2(CC[N@@H+]2Cc2cc(C#N)n(C)c2)C1 ZINC001280093259 1048078291 /nfs/dbraw/zinc/07/82/91/1048078291.db2.gz WSTDXFYMFVYGOQ-UHFFFAOYSA-N 1 2 389.330 3.972 20 30 GHEDLO C#CCN(C)c1nnc([C@H](CC)c2ccccc2)n1CCCNc1cccc[nH+]1 ZINC001286364081 1048290327 /nfs/dbraw/zinc/29/03/27/1048290327.db2.gz YFMXVANFTAYZNS-HXUWFJFHSA-N 1 2 388.519 3.787 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2CCCC2)CC1 ZINC001286473513 1048335716 /nfs/dbraw/zinc/33/57/16/1048335716.db2.gz ODYKQUGFFGYQDL-UHFFFAOYSA-N 1 2 383.927 3.544 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC2(CC)CC2)CC1 ZINC001286473630 1048336637 /nfs/dbraw/zinc/33/66/37/1048336637.db2.gz VJXSBMXEUMPSDF-NRFANRHFSA-N 1 2 391.563 3.765 20 30 GHEDLO Cc1[nH]c([C@H]2CCCN2CC(=O)N(CCC#N)c2cccc(C)c2C)[nH+]c1C ZINC001308071442 1049818146 /nfs/dbraw/zinc/81/81/46/1049818146.db2.gz UBFCQWKSFBJKIU-HXUWFJFHSA-N 1 2 379.508 3.727 20 30 GHEDLO CN(C)c1ccc(C#N)cc1C[N@@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC001308585888 1050021060 /nfs/dbraw/zinc/02/10/60/1050021060.db2.gz VSHZUFQAYJLXHX-FQEVSTJZSA-N 1 2 387.430 3.799 20 30 GHEDLO CN(C)c1ccc(C#N)cc1C[N@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC001308585888 1050021069 /nfs/dbraw/zinc/02/10/69/1050021069.db2.gz VSHZUFQAYJLXHX-FQEVSTJZSA-N 1 2 387.430 3.799 20 30 GHEDLO COc1ccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1C(C)(C)C ZINC001308673222 1050054957 /nfs/dbraw/zinc/05/49/57/1050054957.db2.gz WOJOBTVTDMKDMW-SJLPKXTDSA-N 1 2 387.524 3.841 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)Nc2cc(F)cc(C#N)c2)[C@H](C)C1 ZINC001311104475 1051860624 /nfs/dbraw/zinc/86/06/24/1051860624.db2.gz VPSSQYJDBQQYJR-MRXNPFEDSA-N 1 2 396.466 3.834 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)Nc2cc(F)cc(C#N)c2)[C@H](C)C1 ZINC001311104475 1051860631 /nfs/dbraw/zinc/86/06/31/1051860631.db2.gz VPSSQYJDBQQYJR-MRXNPFEDSA-N 1 2 396.466 3.834 20 30 GHEDLO C=CCn1c(-c2cccc(CC#N)c2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001342284006 1053072597 /nfs/dbraw/zinc/07/25/97/1053072597.db2.gz OMJNKCPVKPGXNH-UHFFFAOYSA-N 1 2 399.502 3.673 20 30 GHEDLO C#CC[C@H](CC)c1nnc(N2CCC(Nc3cccc[nH+]3)CC2)n1CC(=C)C ZINC001342513388 1053209206 /nfs/dbraw/zinc/20/92/06/1053209206.db2.gz VODPPBCHPCQQNR-SFHVURJKSA-N 1 2 378.524 3.847 20 30 GHEDLO CC(C)Cn1c([C@@H]2C[C@H]2C#N)nnc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001343556183 1053876847 /nfs/dbraw/zinc/87/68/47/1053876847.db2.gz AJRMMAIZOQZLAC-PKOBYXMFSA-N 1 2 398.942 3.537 20 30 GHEDLO C[C@@H](C1CC1)N(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1Cc1cccs1 ZINC001344658024 1054641625 /nfs/dbraw/zinc/64/16/25/1054641625.db2.gz YSJIIVXSGWZQTR-INIZCTEOSA-N 1 2 398.580 3.716 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC[C@H](COC)C1 ZINC001356200507 1057426378 /nfs/dbraw/zinc/42/63/78/1057426378.db2.gz STPBVWBKRXKCHR-FPOVZHCZSA-N 1 2 397.567 3.910 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC[C@H](COC)C1 ZINC001356200507 1057426381 /nfs/dbraw/zinc/42/63/81/1057426381.db2.gz STPBVWBKRXKCHR-FPOVZHCZSA-N 1 2 397.567 3.910 20 30 GHEDLO Cn1c([C@@H]2CCCC[N@@H+]2Cc2ccccc2)nnc1N1CCC(CC#N)CC1 ZINC001338394276 1058546423 /nfs/dbraw/zinc/54/64/23/1058546423.db2.gz ISXKEITYGXXUEC-FQEVSTJZSA-N 1 2 378.524 3.672 20 30 GHEDLO Cn1c([C@@H]2CCCC[N@H+]2Cc2ccccc2)nnc1N1CCC(CC#N)CC1 ZINC001338394276 1058546435 /nfs/dbraw/zinc/54/64/35/1058546435.db2.gz ISXKEITYGXXUEC-FQEVSTJZSA-N 1 2 378.524 3.672 20 30 GHEDLO Cc1ccccc1[C@@H]1C[C@@H](C)N(c2nnc(C3CC[NH+](CCC#N)CC3)n2C)C1 ZINC001338924482 1058886081 /nfs/dbraw/zinc/88/60/81/1058886081.db2.gz MACBBXVJHCQABK-UYAOXDASSA-N 1 2 392.551 3.599 20 30 GHEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC(O)(CC=C)CC1 ZINC001338994927 1058917873 /nfs/dbraw/zinc/91/78/73/1058917873.db2.gz JWWJCLJJQMZOQX-LJQANCHMSA-N 1 2 395.551 3.565 20 30 GHEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC(O)(CC=C)CC1 ZINC001338994927 1058917877 /nfs/dbraw/zinc/91/78/77/1058917877.db2.gz JWWJCLJJQMZOQX-LJQANCHMSA-N 1 2 395.551 3.565 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC001339091357 1058955994 /nfs/dbraw/zinc/95/59/94/1058955994.db2.gz SORJLILUKZNKQV-MAUKXSAKSA-N 1 2 380.471 3.515 20 30 GHEDLO Cc1cc(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)ccc1-n1cc[nH+]c1 ZINC001443315290 1059106196 /nfs/dbraw/zinc/10/61/96/1059106196.db2.gz ZCBKHPJUJKPYJV-QGZVFWFLSA-N 1 2 389.434 3.657 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC001339541306 1059289391 /nfs/dbraw/zinc/28/93/91/1059289391.db2.gz CUAKIYFRWKKRFD-DAYGRLMNSA-N 1 2 383.462 3.790 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC001339541306 1059289407 /nfs/dbraw/zinc/28/94/07/1059289407.db2.gz CUAKIYFRWKKRFD-DAYGRLMNSA-N 1 2 383.462 3.790 20 30 GHEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@@H]1/C=C/c1ccccc1 ZINC001339630473 1059358424 /nfs/dbraw/zinc/35/84/24/1059358424.db2.gz ZAKSRSMZESBYEJ-RQWLHQTBSA-N 1 2 390.535 3.590 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@@H]2CSC[C@H]2C1 ZINC001340491732 1059951184 /nfs/dbraw/zinc/95/11/84/1059951184.db2.gz KRFMPBJELFMYEL-DFQSSKMNSA-N 1 2 397.592 3.846 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@@H]2CSC[C@H]2C1 ZINC001340491732 1059951187 /nfs/dbraw/zinc/95/11/87/1059951187.db2.gz KRFMPBJELFMYEL-DFQSSKMNSA-N 1 2 397.592 3.846 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@@H]1c1ccc(F)cc1C ZINC001340594802 1059989161 /nfs/dbraw/zinc/98/91/61/1059989161.db2.gz TYSIFUAVEWMFBU-GOSISDBHSA-N 1 2 380.471 3.577 20 30 GHEDLO N#Cc1cccc2c1CN(c1nnc(C[NH+]3CCCCC3)n1Cc1ccccc1)C2 ZINC001341166916 1060464693 /nfs/dbraw/zinc/46/46/93/1060464693.db2.gz RQBMCYHNSRGNNG-UHFFFAOYSA-N 1 2 398.514 3.704 20 30 GHEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC(CCF)CC1 ZINC001341907117 1060946466 /nfs/dbraw/zinc/94/64/66/1060946466.db2.gz LWWDLXGDBLQECC-UHFFFAOYSA-N 1 2 388.535 3.523 20 30 GHEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC001345983984 1061260805 /nfs/dbraw/zinc/26/08/05/1061260805.db2.gz LMCXMWLKMLJLKB-YJBOKZPZSA-N 1 2 383.462 3.619 20 30 GHEDLO Cc1cc(C#N)cc(C)c1CC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC001456180747 1062534099 /nfs/dbraw/zinc/53/40/99/1062534099.db2.gz QPCQKCFWIUKRBC-GOSISDBHSA-N 1 2 377.488 3.750 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 ZINC001351949898 1064726206 /nfs/dbraw/zinc/72/62/06/1064726206.db2.gz UGMHHBKGCNHTCZ-UYAOXDASSA-N 1 2 382.556 3.574 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)[C@H](C)c1ccc(F)cc1 ZINC001351949924 1064726653 /nfs/dbraw/zinc/72/66/53/1064726653.db2.gz UKPVDLQAKVSKSW-QGZVFWFLSA-N 1 2 396.514 3.894 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC(C)(COC)CC1 ZINC001351979777 1064744139 /nfs/dbraw/zinc/74/41/39/1064744139.db2.gz AZFNUSKTKSIVCL-GOSISDBHSA-N 1 2 386.544 3.549 20 30 GHEDLO CCCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC001464258255 1064930039 /nfs/dbraw/zinc/93/00/39/1064930039.db2.gz ZOLNNPUEFVDLQV-UHFFFAOYSA-N 1 2 394.294 3.711 20 30 GHEDLO C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CCCNc1cccc[nH+]1 ZINC001358942869 1067624010 /nfs/dbraw/zinc/62/40/10/1067624010.db2.gz NIDQFCIXRZZXMZ-UHFFFAOYSA-N 1 2 398.873 3.704 20 30 GHEDLO C=CCCCCn1c([C@H](C)CC)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001359197814 1067766037 /nfs/dbraw/zinc/76/60/37/1067766037.db2.gz ANMFVXWUPRVSIL-QGZVFWFLSA-N 1 2 386.544 3.767 20 30 GHEDLO C=CCN(CC=C)c1nnc(Cc2ccccc2F)n1Cc1c[nH+]ccc1OC ZINC001359273315 1067940958 /nfs/dbraw/zinc/94/09/58/1067940958.db2.gz WLDPKJICPJYDIN-UHFFFAOYSA-N 1 2 393.466 3.638 20 30 GHEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[NH+]2CCC(F)CC2)c1C#N ZINC001460691165 1069089143 /nfs/dbraw/zinc/08/91/43/1069089143.db2.gz XYODZJDVVKSBRH-UHFFFAOYSA-N 1 2 386.446 3.536 20 30 GHEDLO C#CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CCCc2ccccc21 ZINC001460837366 1069211237 /nfs/dbraw/zinc/21/12/37/1069211237.db2.gz OVIZORMZAHCPPQ-NRFANRHFSA-N 1 2 377.444 3.855 20 30 GHEDLO C#CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CCCc2ccccc21 ZINC001460837366 1069211247 /nfs/dbraw/zinc/21/12/47/1069211247.db2.gz OVIZORMZAHCPPQ-NRFANRHFSA-N 1 2 377.444 3.855 20 30 GHEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC001478806337 1078991110 /nfs/dbraw/zinc/99/11/10/1078991110.db2.gz WGVODQITJGUWCO-JOCHJYFZSA-N 1 2 393.531 3.710 20 30 GHEDLO C=CC[N@H+](Cc1ccc(OC)cc1)[C@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC001473114365 1073787070 /nfs/dbraw/zinc/78/70/70/1073787070.db2.gz AKKZLUSXWWMAKN-MRXNPFEDSA-N 1 2 384.476 3.686 20 30 GHEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC001473114365 1073787075 /nfs/dbraw/zinc/78/70/75/1073787075.db2.gz AKKZLUSXWWMAKN-MRXNPFEDSA-N 1 2 384.476 3.686 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccccc3)C2)c(OC(F)F)c1 ZINC001473184992 1073840557 /nfs/dbraw/zinc/84/05/57/1073840557.db2.gz MRAYYSKYBAXXIA-GOSISDBHSA-N 1 2 385.414 3.554 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3ccccc3)C2)c(OC(F)F)c1 ZINC001473184992 1073840566 /nfs/dbraw/zinc/84/05/66/1073840566.db2.gz MRAYYSKYBAXXIA-GOSISDBHSA-N 1 2 385.414 3.554 20 30 GHEDLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)Nc3ccc(C#N)c(Cl)c3)C2)cc1 ZINC001475884346 1075040672 /nfs/dbraw/zinc/04/06/72/1075040672.db2.gz HSJSIBQPJNOUQU-LJQANCHMSA-N 1 2 398.894 3.543 20 30 GHEDLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)Nc3ccc(C#N)c(Cl)c3)C2)cc1 ZINC001475884346 1075040677 /nfs/dbraw/zinc/04/06/77/1075040677.db2.gz HSJSIBQPJNOUQU-LJQANCHMSA-N 1 2 398.894 3.543 20 30 GHEDLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)Nc3ccc(C#N)c(Cl)c3)C2)cc1 ZINC001475884345 1075040768 /nfs/dbraw/zinc/04/07/68/1075040768.db2.gz HSJSIBQPJNOUQU-IBGZPJMESA-N 1 2 398.894 3.543 20 30 GHEDLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)Nc3ccc(C#N)c(Cl)c3)C2)cc1 ZINC001475884345 1075040771 /nfs/dbraw/zinc/04/07/71/1075040771.db2.gz HSJSIBQPJNOUQU-IBGZPJMESA-N 1 2 398.894 3.543 20 30 GHEDLO C=CC[C@H]1N(C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CCCC1(C)C ZINC000683532712 837434914 /nfs/dbraw/zinc/43/49/14/837434914.db2.gz NDBQVRAOXHGVJD-HXUWFJFHSA-N 1 2 398.551 3.673 20 30 GHEDLO C=C(C)c1cccc(NC(=O)[C@@H]2CCC(=O)N(CCC)[C@H]2c2c[nH+]cn2C)c1 ZINC000890890586 837437043 /nfs/dbraw/zinc/43/70/43/837437043.db2.gz ZTYOSYVRBCATRP-WIYYLYMNSA-N 1 2 380.492 3.782 20 30 GHEDLO Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023357643 834359243 /nfs/dbraw/zinc/35/92/43/834359243.db2.gz UDJNFSPJFKSJBT-QGZVFWFLSA-N 1 2 396.922 3.665 20 30 GHEDLO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cn1ncn(CC(F)(F)F)c1=S ZINC000748063369 834632257 /nfs/dbraw/zinc/63/22/57/834632257.db2.gz GDRNFRMDOZBDRX-UHFFFAOYSA-N 1 2 383.443 3.964 20 30 GHEDLO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cn1ncn(CC(F)(F)F)c1=S ZINC000748063369 834632261 /nfs/dbraw/zinc/63/22/61/834632261.db2.gz GDRNFRMDOZBDRX-UHFFFAOYSA-N 1 2 383.443 3.964 20 30 GHEDLO N#CCSc1ccccc1NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130103557 834986989 /nfs/dbraw/zinc/98/69/89/834986989.db2.gz DZPLTXXUPBVODS-UHFFFAOYSA-N 1 2 396.472 3.814 20 30 GHEDLO N#CCSc1ccccc1NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130103557 834986997 /nfs/dbraw/zinc/98/69/97/834986997.db2.gz DZPLTXXUPBVODS-UHFFFAOYSA-N 1 2 396.472 3.814 20 30 GHEDLO CN(C)C(=O)Sc1cccc(C[NH+]2CCN(c3ccccc3C#N)CC2)c1 ZINC000176908881 835082059 /nfs/dbraw/zinc/08/20/59/835082059.db2.gz RFLSJTGCHNHDPK-UHFFFAOYSA-N 1 2 380.517 3.654 20 30 GHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1cc(Br)cs1 ZINC000052847774 835711422 /nfs/dbraw/zinc/71/14/22/835711422.db2.gz HVDJNQICYBLUQY-NSHDSACASA-N 1 2 378.295 3.841 20 30 GHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1cc(Br)cs1 ZINC000052847774 835711428 /nfs/dbraw/zinc/71/14/28/835711428.db2.gz HVDJNQICYBLUQY-NSHDSACASA-N 1 2 378.295 3.841 20 30 GHEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1Br)Cc1cccc(C#N)c1 ZINC000063300411 835754441 /nfs/dbraw/zinc/75/44/41/835754441.db2.gz LIDLCTWJTQVXCD-UHFFFAOYSA-N 1 2 384.277 3.947 20 30 GHEDLO C=CC[N@H+](CC(=O)Nc1ccccc1Br)Cc1cccc(C#N)c1 ZINC000063300411 835754452 /nfs/dbraw/zinc/75/44/52/835754452.db2.gz LIDLCTWJTQVXCD-UHFFFAOYSA-N 1 2 384.277 3.947 20 30 GHEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(NCc2ccc(-c3ncon3)cc2)[nH+]1 ZINC001167090126 835819563 /nfs/dbraw/zinc/81/95/63/835819563.db2.gz QOQJAAAYQFRWCF-VCFZRVFKSA-N 1 2 397.504 3.933 20 30 GHEDLO C=C(C)Cn1c(C2CCC2)nnc1N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000549675919 844094364 /nfs/dbraw/zinc/09/43/64/844094364.db2.gz VBHMQWCXQPMXLP-UHFFFAOYSA-N 1 2 399.514 3.592 20 30 GHEDLO Cc1ccc(C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C2CC2)o1 ZINC000052994246 835896006 /nfs/dbraw/zinc/89/60/06/835896006.db2.gz UHQDFURULOQUAC-UHFFFAOYSA-N 1 2 390.405 3.739 20 30 GHEDLO Cc1ccc(C[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C2CC2)o1 ZINC000052994246 835896011 /nfs/dbraw/zinc/89/60/11/835896011.db2.gz UHQDFURULOQUAC-UHFFFAOYSA-N 1 2 390.405 3.739 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)c(C#N)c1C ZINC000179632127 835902851 /nfs/dbraw/zinc/90/28/51/835902851.db2.gz JKZCYVVTWOEHNK-CVEARBPZSA-N 1 2 398.482 3.613 20 30 GHEDLO Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cc(N(C)C)cc[nH+]2)cc1C ZINC000612347036 836087964 /nfs/dbraw/zinc/08/79/64/836087964.db2.gz RKOSTWVIZDNNJP-UHFFFAOYSA-N 1 2 388.475 3.794 20 30 GHEDLO Cc1cccn2cc(CC(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)[nH+]c12 ZINC000608783334 836150864 /nfs/dbraw/zinc/15/08/64/836150864.db2.gz LBLSZSPDEQFRKP-UHFFFAOYSA-N 1 2 387.468 3.743 20 30 GHEDLO Cc1c(C#N)cccc1NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000179881812 836226931 /nfs/dbraw/zinc/22/69/31/836226931.db2.gz SSMDPAKTTZGUTK-VQTJNVASSA-N 1 2 398.894 3.714 20 30 GHEDLO Cc1c(C#N)cccc1NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000179881812 836226944 /nfs/dbraw/zinc/22/69/44/836226944.db2.gz SSMDPAKTTZGUTK-VQTJNVASSA-N 1 2 398.894 3.714 20 30 GHEDLO CC(C)[C@H]([NH2+]Cc1ccc(C#N)cc1Br)c1nnc2ccccn21 ZINC000612463373 836271296 /nfs/dbraw/zinc/27/12/96/836271296.db2.gz XZUFCTNOFAQKQI-KRWDZBQOSA-N 1 2 384.281 3.850 20 30 GHEDLO CC(C)(CC#N)C[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F ZINC000414164585 836370647 /nfs/dbraw/zinc/37/06/47/836370647.db2.gz KJEAAQCVZKJVOQ-IBGZPJMESA-N 1 2 392.471 3.987 20 30 GHEDLO Cn1cc(C[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180060237 836980078 /nfs/dbraw/zinc/98/00/78/836980078.db2.gz HKHGLRJDZYSIFC-NRFANRHFSA-N 1 2 376.435 3.671 20 30 GHEDLO Cn1cc(C[N@H+]2CCO[C@H](c3cccc(F)c3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180060237 836980085 /nfs/dbraw/zinc/98/00/85/836980085.db2.gz HKHGLRJDZYSIFC-NRFANRHFSA-N 1 2 376.435 3.671 20 30 GHEDLO C=CCOc1cccc(C[N@@H+](C)[C@@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000136963726 837182415 /nfs/dbraw/zinc/18/24/15/837182415.db2.gz JRERADDETNHPIY-GOSISDBHSA-N 1 2 389.293 3.672 20 30 GHEDLO C=CCOc1cccc(C[N@H+](C)[C@@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000136963726 837182419 /nfs/dbraw/zinc/18/24/19/837182419.db2.gz JRERADDETNHPIY-GOSISDBHSA-N 1 2 389.293 3.672 20 30 GHEDLO C=CCOc1cccc(C[N@@H+](C)[C@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000136963680 837190169 /nfs/dbraw/zinc/19/01/69/837190169.db2.gz JRERADDETNHPIY-SFHVURJKSA-N 1 2 389.293 3.672 20 30 GHEDLO C=CCOc1cccc(C[N@H+](C)[C@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000136963680 837190173 /nfs/dbraw/zinc/19/01/73/837190173.db2.gz JRERADDETNHPIY-SFHVURJKSA-N 1 2 389.293 3.672 20 30 GHEDLO C[C@@H]([NH2+][C@H](C)c1nc2c(s1)CCC2)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000578962911 838253924 /nfs/dbraw/zinc/25/39/24/838253924.db2.gz MZBGUHAIPSSEGG-GHMZBOCLSA-N 1 2 386.546 3.731 20 30 GHEDLO C[C@H](c1cccc(NC(=O)N[C@@H](C)c2cccc(C#N)c2)c1)[NH+]1CCOCC1 ZINC000610323980 838451474 /nfs/dbraw/zinc/45/14/74/838451474.db2.gz JQDSUUPXYKHTBC-DLBZAZTESA-N 1 2 378.476 3.834 20 30 GHEDLO COc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)cc1C#N ZINC000135003804 838505316 /nfs/dbraw/zinc/50/53/16/838505316.db2.gz AMTOLONIMVFYDF-LJQANCHMSA-N 1 2 387.277 3.903 20 30 GHEDLO COc1ccc(C[N@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)cc1C#N ZINC000135003804 838505321 /nfs/dbraw/zinc/50/53/21/838505321.db2.gz AMTOLONIMVFYDF-LJQANCHMSA-N 1 2 387.277 3.903 20 30 GHEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000177682555 838643214 /nfs/dbraw/zinc/64/32/14/838643214.db2.gz FPKIPBKWXWUQNE-GOSISDBHSA-N 1 2 378.407 3.755 20 30 GHEDLO CCOc1ccc(C[NH+]2CCN(C(=O)N[C@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000610355841 838653654 /nfs/dbraw/zinc/65/36/54/838653654.db2.gz ZNQXNBJQSBMIHY-GOSISDBHSA-N 1 2 392.503 3.545 20 30 GHEDLO Cc1ccc(C(=O)CCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000023753139 839436891 /nfs/dbraw/zinc/43/68/91/839436891.db2.gz BYZHMLAKMAXLQX-UHFFFAOYSA-N 1 2 395.528 3.626 20 30 GHEDLO Cc1ccc(C(=O)CCC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000023753139 839436901 /nfs/dbraw/zinc/43/69/01/839436901.db2.gz BYZHMLAKMAXLQX-UHFFFAOYSA-N 1 2 395.528 3.626 20 30 GHEDLO C=CCCCCNC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000472770970 839532180 /nfs/dbraw/zinc/53/21/80/839532180.db2.gz LXUDCIHHCLYTSA-UHFFFAOYSA-N 1 2 379.302 3.603 20 30 GHEDLO C=C(C)Cn1c(-c2c[nH]c3ccccc32)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000549252334 839600661 /nfs/dbraw/zinc/60/06/61/839600661.db2.gz DIQLHDDASWFRBY-UHFFFAOYSA-N 1 2 399.502 3.724 20 30 GHEDLO Fc1cccc(C[N@@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n1 ZINC000932945202 840010642 /nfs/dbraw/zinc/01/06/42/840010642.db2.gz SRSGGROEMFHDJE-DTORHVGOSA-N 1 2 378.238 3.824 20 30 GHEDLO Fc1cccc(C[N@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n1 ZINC000932945202 840010649 /nfs/dbraw/zinc/01/06/49/840010649.db2.gz SRSGGROEMFHDJE-DTORHVGOSA-N 1 2 378.238 3.824 20 30 GHEDLO C=C[C@@](C)(O)CC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000431911561 840325165 /nfs/dbraw/zinc/32/51/65/840325165.db2.gz FLIOOFWCMYLFCM-OAQYLSRUSA-N 1 2 388.508 3.526 20 30 GHEDLO CC1(C(=O)N2CCCC2)CC[NH+](Cc2cc(Br)ccc2C#N)CC1 ZINC001141903126 861205372 /nfs/dbraw/zinc/20/53/72/861205372.db2.gz RJJDEBYDZUTQEN-UHFFFAOYSA-N 1 2 390.325 3.545 20 30 GHEDLO O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000329252763 861207704 /nfs/dbraw/zinc/20/77/04/861207704.db2.gz VSFVRAUFWDZWES-MEDUHNTESA-N 1 2 393.274 3.514 20 30 GHEDLO COc1cc(C[NH2+]CC2(C#N)CCC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000418137096 841548053 /nfs/dbraw/zinc/54/80/53/841548053.db2.gz DALCCRDTANBZHZ-UHFFFAOYSA-N 1 2 381.432 3.966 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(OC(C)(C)C)CC1 ZINC000162607331 841680637 /nfs/dbraw/zinc/68/06/37/841680637.db2.gz UBHHLCMZTXINDU-CYBMUJFWSA-N 1 2 375.538 3.715 20 30 GHEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)c(C#N)c1C ZINC000157258022 841712703 /nfs/dbraw/zinc/71/27/03/841712703.db2.gz MBXFTPHYCFYLEN-QGZVFWFLSA-N 1 2 397.500 3.783 20 30 GHEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)c(C#N)c1C ZINC000157258022 841712712 /nfs/dbraw/zinc/71/27/12/841712712.db2.gz MBXFTPHYCFYLEN-QGZVFWFLSA-N 1 2 397.500 3.783 20 30 GHEDLO CC(C)Cc1ccc(C(=O)C2CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2)cc1 ZINC000046087249 841960006 /nfs/dbraw/zinc/96/00/06/841960006.db2.gz CNOHSDPPRZTMJT-DEOSSOPVSA-N 1 2 397.563 3.834 20 30 GHEDLO Cc1cc(C)c(C)c(S(=O)(=O)N2CC[NH+](CCCC(C)(C)C#N)CC2)c1C ZINC000471700707 842187897 /nfs/dbraw/zinc/18/78/97/842187897.db2.gz LLJWBKYKGMTIPS-UHFFFAOYSA-N 1 2 391.581 3.557 20 30 GHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCc2ccccc2[C@@H]1C ZINC000106862407 842357371 /nfs/dbraw/zinc/35/73/71/842357371.db2.gz UWQQBCLEPYAJMB-SFHVURJKSA-N 1 2 394.519 3.571 20 30 GHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCc2ccccc2[C@@H]1C ZINC000106862407 842357385 /nfs/dbraw/zinc/35/73/85/842357385.db2.gz UWQQBCLEPYAJMB-SFHVURJKSA-N 1 2 394.519 3.571 20 30 GHEDLO N#CCOc1cccc(NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282427423 861316220 /nfs/dbraw/zinc/31/62/20/861316220.db2.gz IXFCHXDWFMFRNH-MRXNPFEDSA-N 1 2 379.464 3.533 20 30 GHEDLO C[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1nc(C(F)(F)F)cs1 ZINC000279066211 842540786 /nfs/dbraw/zinc/54/07/86/842540786.db2.gz ZTIFLUAUPMJLNH-LBPRGKRZSA-N 1 2 382.411 3.759 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000249310982 842724370 /nfs/dbraw/zinc/72/43/70/842724370.db2.gz IGHBFWUZWFJIPU-HUUCEWRRSA-N 1 2 383.414 3.605 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000249310982 842724376 /nfs/dbraw/zinc/72/43/76/842724376.db2.gz IGHBFWUZWFJIPU-HUUCEWRRSA-N 1 2 383.414 3.605 20 30 GHEDLO Cc1sc(NC(=O)C[N@@H+](C)Cc2ccc(OC(F)F)cc2)c(C#N)c1C ZINC000098072180 843064264 /nfs/dbraw/zinc/06/42/64/843064264.db2.gz ANUJPFNRBYBVJH-UHFFFAOYSA-N 1 2 379.432 3.909 20 30 GHEDLO Cc1sc(NC(=O)C[N@H+](C)Cc2ccc(OC(F)F)cc2)c(C#N)c1C ZINC000098072180 843064270 /nfs/dbraw/zinc/06/42/70/843064270.db2.gz ANUJPFNRBYBVJH-UHFFFAOYSA-N 1 2 379.432 3.909 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000512211879 843099893 /nfs/dbraw/zinc/09/98/93/843099893.db2.gz IVFJLASPKYRGFB-FQEVSTJZSA-N 1 2 388.895 3.999 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000512211879 843099902 /nfs/dbraw/zinc/09/99/02/843099902.db2.gz IVFJLASPKYRGFB-FQEVSTJZSA-N 1 2 388.895 3.999 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3c[nH]c4cccc(Cl)c34)CC2)cc1 ZINC000430878904 843129870 /nfs/dbraw/zinc/12/98/70/843129870.db2.gz QCVUXGRHPXJZPY-UHFFFAOYSA-N 1 2 392.890 3.580 20 30 GHEDLO COC(=O)c1nc([C@H]2CCC[N@@H+]2Cc2ccc(N(C)CCC#N)cc2)sc1C ZINC000279630986 843183987 /nfs/dbraw/zinc/18/39/87/843183987.db2.gz HZJAVFRHTMAQKT-GOSISDBHSA-N 1 2 398.532 3.925 20 30 GHEDLO COC(=O)c1nc([C@H]2CCC[N@H+]2Cc2ccc(N(C)CCC#N)cc2)sc1C ZINC000279630986 843183992 /nfs/dbraw/zinc/18/39/92/843183992.db2.gz HZJAVFRHTMAQKT-GOSISDBHSA-N 1 2 398.532 3.925 20 30 GHEDLO C=CCOc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)cc1OC ZINC000512244641 843200151 /nfs/dbraw/zinc/20/01/51/843200151.db2.gz OMYLHNNPBRRBAS-UHFFFAOYSA-N 1 2 381.451 3.593 20 30 GHEDLO C[N@H+](Cc1cscn1)Cc1cccc(Nc2nccc(C#N)c2[N+](=O)[O-])c1 ZINC000150821035 843320346 /nfs/dbraw/zinc/32/03/46/843320346.db2.gz DFMZRIVXDKZMTN-UHFFFAOYSA-N 1 2 380.433 3.694 20 30 GHEDLO C[N@@H+](Cc1cscn1)Cc1cccc(Nc2nccc(C#N)c2[N+](=O)[O-])c1 ZINC000150821035 843320355 /nfs/dbraw/zinc/32/03/55/843320355.db2.gz DFMZRIVXDKZMTN-UHFFFAOYSA-N 1 2 380.433 3.694 20 30 GHEDLO C=CC[N@@H+](CC(=O)Nc1cccc(C(=O)N(CC)CC)c1)Cc1cccs1 ZINC000015519192 843921134 /nfs/dbraw/zinc/92/11/34/843921134.db2.gz SBRBCTCTVNQLOP-UHFFFAOYSA-N 1 2 385.533 3.857 20 30 GHEDLO C=CC[N@H+](CC(=O)Nc1cccc(C(=O)N(CC)CC)c1)Cc1cccs1 ZINC000015519192 843921137 /nfs/dbraw/zinc/92/11/37/843921137.db2.gz SBRBCTCTVNQLOP-UHFFFAOYSA-N 1 2 385.533 3.857 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(OC2CCC2)CC1 ZINC000419310092 843978946 /nfs/dbraw/zinc/97/89/46/843978946.db2.gz XFIWFSJZPRFRFS-INIZCTEOSA-N 1 2 387.549 3.910 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](C(=O)OC)[C@@H]2CCC[C@H]21 ZINC000599655427 861487297 /nfs/dbraw/zinc/48/72/97/861487297.db2.gz WPBSGUNJSMYHLM-XYJFISCASA-N 1 2 388.533 3.567 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C(=O)OC)[C@@H]2CCC[C@H]21 ZINC000599655427 861487303 /nfs/dbraw/zinc/48/73/03/861487303.db2.gz WPBSGUNJSMYHLM-XYJFISCASA-N 1 2 388.533 3.567 20 30 GHEDLO CC(C)(C#N)c1ccc(C[NH+]2CCN(C(=O)c3ccc(F)c(F)c3)CC2)cc1 ZINC000614159926 844789336 /nfs/dbraw/zinc/78/93/36/844789336.db2.gz GIUJQLSCUIVTQH-UHFFFAOYSA-N 1 2 383.442 3.724 20 30 GHEDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677436 861516183 /nfs/dbraw/zinc/51/61/83/861516183.db2.gz JIXCCPYHMQZYND-AWEZNQCLSA-N 1 2 389.415 3.830 20 30 GHEDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677436 861516192 /nfs/dbraw/zinc/51/61/92/861516192.db2.gz JIXCCPYHMQZYND-AWEZNQCLSA-N 1 2 389.415 3.830 20 30 GHEDLO COC(=O)c1cccc(C[NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)c1C#N ZINC000599680459 861519303 /nfs/dbraw/zinc/51/93/03/861519303.db2.gz MGAQCVLQAFFDEW-GOSISDBHSA-N 1 2 393.270 3.865 20 30 GHEDLO C=C(CNC(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1)c1ccccc1 ZINC000512677964 845008846 /nfs/dbraw/zinc/00/88/46/845008846.db2.gz NKBLOUIXVRFHNV-LJQANCHMSA-N 1 2 379.504 3.797 20 30 GHEDLO N#CCCN(C(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1)c1cccc(Cl)c1 ZINC000599686282 861526796 /nfs/dbraw/zinc/52/67/96/861526796.db2.gz OSEQHOMGHZZELT-UHFFFAOYSA-N 1 2 392.890 3.711 20 30 GHEDLO N#CCCN(C(=O)C[N@H+]1CCc2c(CC#N)cccc2C1)c1cccc(Cl)c1 ZINC000599686282 861526805 /nfs/dbraw/zinc/52/68/05/861526805.db2.gz OSEQHOMGHZZELT-UHFFFAOYSA-N 1 2 392.890 3.711 20 30 GHEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000329503016 861554784 /nfs/dbraw/zinc/55/47/84/861554784.db2.gz YXUSJDZMILEFBA-WBVHZDCISA-N 1 2 379.460 3.927 20 30 GHEDLO N#Cc1cc(O)cc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000614293287 845554931 /nfs/dbraw/zinc/55/49/31/845554931.db2.gz HMVHAZPLMRZVHL-UHFFFAOYSA-N 1 2 397.478 3.811 20 30 GHEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)c1 ZINC000329535578 861606854 /nfs/dbraw/zinc/60/68/54/861606854.db2.gz ZNRGQTUIQPEPQI-MRXNPFEDSA-N 1 2 377.492 3.994 20 30 GHEDLO COCCn1c2ccccc2[nH+]c1NCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000185847481 861688580 /nfs/dbraw/zinc/68/85/80/861688580.db2.gz CULFDSBIOSAHBG-UHFFFAOYSA-N 1 2 386.459 3.567 20 30 GHEDLO CC(C)c1nnc(CNC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)s1 ZINC000329620322 861804772 /nfs/dbraw/zinc/80/47/72/861804772.db2.gz MOUAWMUFTILOTM-ZDUSSCGKSA-N 1 2 379.555 3.516 20 30 GHEDLO C=CCCn1cc(C[NH2+][C@H]2CSCc3ccc(Br)cc32)nn1 ZINC000657642174 848408987 /nfs/dbraw/zinc/40/89/87/848408987.db2.gz VYZMEIBFNGKPPJ-INIZCTEOSA-N 1 2 379.327 3.694 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)Nc2ccc(C#N)c(F)c2)[C@H](C)C1 ZINC000582994676 848843249 /nfs/dbraw/zinc/84/32/49/848843249.db2.gz MYTBRCDMMWYVEW-MRXNPFEDSA-N 1 2 396.466 3.834 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)Nc2ccc(C#N)c(F)c2)[C@H](C)C1 ZINC000582994676 848843254 /nfs/dbraw/zinc/84/32/54/848843254.db2.gz MYTBRCDMMWYVEW-MRXNPFEDSA-N 1 2 396.466 3.834 20 30 GHEDLO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+]2CC=C(C)CC2)cc1 ZINC000535963701 849335420 /nfs/dbraw/zinc/33/54/20/849335420.db2.gz MYFXQJNGGZGPTC-UHFFFAOYSA-N 1 2 378.476 3.565 20 30 GHEDLO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+]2CC=C(C)CC2)cc1 ZINC000535963701 849335425 /nfs/dbraw/zinc/33/54/25/849335425.db2.gz MYFXQJNGGZGPTC-UHFFFAOYSA-N 1 2 378.476 3.565 20 30 GHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(Cc2ccc(OC)cc2)CC1 ZINC000434846756 849831573 /nfs/dbraw/zinc/83/15/73/849831573.db2.gz RZWSSGBSUFSLMT-QFIPXVFZSA-N 1 2 378.472 3.736 20 30 GHEDLO CCCOc1cc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)ccc1OC ZINC000434980893 849967803 /nfs/dbraw/zinc/96/78/03/849967803.db2.gz HKWDFBYTICFWGB-OAQYLSRUSA-N 1 2 379.504 3.866 20 30 GHEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2cnc(-c3ccncc3)s2)CC1 ZINC000434991202 849977592 /nfs/dbraw/zinc/97/75/92/849977592.db2.gz NSKNURDSECSMQO-FQEVSTJZSA-N 1 2 375.501 3.588 20 30 GHEDLO C[C@H](c1cccc(NC(=O)C2(c3cccc(C#N)c3)CC2)c1)[NH+]1CCOCC1 ZINC000434996587 849983729 /nfs/dbraw/zinc/98/37/29/849983729.db2.gz VOEBAWKJYPMAOB-QGZVFWFLSA-N 1 2 375.472 3.622 20 30 GHEDLO C=CCCC(=O)[C@H]1CCCN1C(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000908656372 850251665 /nfs/dbraw/zinc/25/16/65/850251665.db2.gz WYZBJNWHHGOPGF-LJQANCHMSA-N 1 2 378.476 3.537 20 30 GHEDLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C#N)oc1C ZINC000436165321 851279648 /nfs/dbraw/zinc/27/96/48/851279648.db2.gz XJYISZWQZOYLEM-YCRPNKLZSA-N 1 2 380.492 3.536 20 30 GHEDLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C#N)oc1C ZINC000436165321 851279659 /nfs/dbraw/zinc/27/96/59/851279659.db2.gz XJYISZWQZOYLEM-YCRPNKLZSA-N 1 2 380.492 3.536 20 30 GHEDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)Nc2cc(C#N)ccc2C)CC1 ZINC000604500981 862260590 /nfs/dbraw/zinc/26/05/90/862260590.db2.gz QFTMISCKVWIONE-UHFFFAOYSA-N 1 2 378.476 3.533 20 30 GHEDLO N#Cc1ccc(C[N@@H+](CC(=O)Nc2nc3ccc(F)cc3s2)C2CC2)cc1 ZINC000488545938 851600103 /nfs/dbraw/zinc/60/01/03/851600103.db2.gz KEWZZKOWCUNDMB-UHFFFAOYSA-N 1 2 380.448 3.910 20 30 GHEDLO N#Cc1ccc(C[N@H+](CC(=O)Nc2nc3ccc(F)cc3s2)C2CC2)cc1 ZINC000488545938 851600106 /nfs/dbraw/zinc/60/01/06/851600106.db2.gz KEWZZKOWCUNDMB-UHFFFAOYSA-N 1 2 380.448 3.910 20 30 GHEDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1ccc(C#N)c(Cl)c1 ZINC000155976962 851998619 /nfs/dbraw/zinc/99/86/19/851998619.db2.gz XJUYAOMLEBNAML-KRWDZBQOSA-N 1 2 397.906 3.575 20 30 GHEDLO CC1(C)C[N@H+](CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)[C@@H]1[C@H]1CCCO1 ZINC000329806767 862333557 /nfs/dbraw/zinc/33/35/57/862333557.db2.gz BFSVYOBXMUJZHG-JXUFBKJOSA-N 1 2 389.540 3.715 20 30 GHEDLO CC1(C)C[N@@H+](CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)[C@@H]1[C@H]1CCCO1 ZINC000329806767 862333576 /nfs/dbraw/zinc/33/35/76/862333576.db2.gz BFSVYOBXMUJZHG-JXUFBKJOSA-N 1 2 389.540 3.715 20 30 GHEDLO Cc1nc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)ccc1C#N ZINC000028932471 852285012 /nfs/dbraw/zinc/28/50/12/852285012.db2.gz SXBJJQHMRCONPX-UHFFFAOYSA-N 1 2 389.484 3.529 20 30 GHEDLO Cc1nc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)ccc1C#N ZINC000028932471 852285044 /nfs/dbraw/zinc/28/50/44/852285044.db2.gz SXBJJQHMRCONPX-UHFFFAOYSA-N 1 2 389.484 3.529 20 30 GHEDLO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000426761275 852370496 /nfs/dbraw/zinc/37/04/96/852370496.db2.gz ZCSPFZZGIQCWHR-QHCPKHFHSA-N 1 2 394.471 3.673 20 30 GHEDLO COC(=O)[C@]1(C)CCC[N@H+]1Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000426761275 852370500 /nfs/dbraw/zinc/37/05/00/852370500.db2.gz ZCSPFZZGIQCWHR-QHCPKHFHSA-N 1 2 394.471 3.673 20 30 GHEDLO C=C(C)COCC[NH2+]Cc1csc(N(C(C)=O)c2ccc(F)cc2F)n1 ZINC000638757883 852452931 /nfs/dbraw/zinc/45/29/31/852452931.db2.gz UIOCLIWJMQKVKG-UHFFFAOYSA-N 1 2 381.448 3.788 20 30 GHEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000507225991 852690054 /nfs/dbraw/zinc/69/00/54/852690054.db2.gz AVECWRWVAWPPNQ-XOBRGWDASA-N 1 2 383.879 3.784 20 30 GHEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000507225991 852690059 /nfs/dbraw/zinc/69/00/59/852690059.db2.gz AVECWRWVAWPPNQ-XOBRGWDASA-N 1 2 383.879 3.784 20 30 GHEDLO CC(=O)NCc1ccc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)s1 ZINC000329879651 862392984 /nfs/dbraw/zinc/39/29/84/862392984.db2.gz MOECDRYIOFYOQX-UHFFFAOYSA-N 1 2 386.521 3.777 20 30 GHEDLO CC(=O)c1c(C)cc(C)c(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)c1C ZINC000029226203 852871233 /nfs/dbraw/zinc/87/12/33/852871233.db2.gz DIXZSSOYDUZZJI-UHFFFAOYSA-N 1 2 392.503 3.874 20 30 GHEDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3c(F)cc(C#N)cc3F)CC2)cc1 ZINC000507532396 853015639 /nfs/dbraw/zinc/01/56/39/853015639.db2.gz MYOCZSCZGCIMOL-UHFFFAOYSA-N 1 2 383.442 3.918 20 30 GHEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000518456515 853368926 /nfs/dbraw/zinc/36/89/26/853368926.db2.gz CROXMQVGQPMDRQ-INIZCTEOSA-N 1 2 393.462 3.714 20 30 GHEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000518456515 853368940 /nfs/dbraw/zinc/36/89/40/853368940.db2.gz CROXMQVGQPMDRQ-INIZCTEOSA-N 1 2 393.462 3.714 20 30 GHEDLO Cc1ccc(-c2ncc(C[NH+]3CCN(Cc4ccc(C#N)cc4)CC3)s2)o1 ZINC000506102310 853423595 /nfs/dbraw/zinc/42/35/95/853423595.db2.gz ZBZWGOJIGLSZGD-UHFFFAOYSA-N 1 2 378.501 3.901 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1C#N ZINC000586773400 853534326 /nfs/dbraw/zinc/53/43/26/853534326.db2.gz PZGRTAHRLNNIRN-UHFFFAOYSA-N 1 2 375.432 3.635 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1C#N ZINC000586773400 853534333 /nfs/dbraw/zinc/53/43/33/853534333.db2.gz PZGRTAHRLNNIRN-UHFFFAOYSA-N 1 2 375.432 3.635 20 30 GHEDLO CC[C@@H]1C[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)CCCO1 ZINC000439493664 853703403 /nfs/dbraw/zinc/70/34/03/853703403.db2.gz NILWUYQRHQMWRM-LJQANCHMSA-N 1 2 386.540 3.921 20 30 GHEDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)CCCO1 ZINC000439493664 853703406 /nfs/dbraw/zinc/70/34/06/853703406.db2.gz NILWUYQRHQMWRM-LJQANCHMSA-N 1 2 386.540 3.921 20 30 GHEDLO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000330011700 862505080 /nfs/dbraw/zinc/50/50/80/862505080.db2.gz JJJUWJUNGWHHNJ-IAQYHMDHSA-N 1 2 393.274 3.514 20 30 GHEDLO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000330019431 862511793 /nfs/dbraw/zinc/51/17/93/862511793.db2.gz VARVPSCLXUQROX-TZMCWYRMSA-N 1 2 379.291 3.988 20 30 GHEDLO Cc1oc(NC(=O)C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)c(C#N)c1C ZINC000156937457 854481453 /nfs/dbraw/zinc/48/14/53/854481453.db2.gz JJEIXMLVIXARIE-AEFFLSMTSA-N 1 2 385.464 3.668 20 30 GHEDLO Cc1oc(NC(=O)C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)c(C#N)c1C ZINC000156937457 854481456 /nfs/dbraw/zinc/48/14/56/854481456.db2.gz JJEIXMLVIXARIE-AEFFLSMTSA-N 1 2 385.464 3.668 20 30 GHEDLO NC(=O)c1ccc(NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(F)c1 ZINC000328659252 854492964 /nfs/dbraw/zinc/49/29/64/854492964.db2.gz SKDLEJDINHJYIE-AWEZNQCLSA-N 1 2 385.443 3.667 20 30 GHEDLO Cc1cn2c([nH+]1)[C@H](CNC([O-])=[NH+][C@@H]1C[C@H]1c1c(F)cccc1Cl)CCC2 ZINC000328692345 854510838 /nfs/dbraw/zinc/51/08/38/854510838.db2.gz FHBDQMOGEHBJBD-WOSRLPQWSA-N 1 2 376.863 3.921 20 30 GHEDLO Cc1cn2c([nH+]1)[C@H](C[NH+]=C([O-])N[C@@H]1C[C@H]1c1c(F)cccc1Cl)CCC2 ZINC000328692345 854510845 /nfs/dbraw/zinc/51/08/45/854510845.db2.gz FHBDQMOGEHBJBD-WOSRLPQWSA-N 1 2 376.863 3.921 20 30 GHEDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N[C@H]1CCCC12CCOCC2 ZINC000328778483 854553304 /nfs/dbraw/zinc/55/33/04/854553304.db2.gz IRYYDXPELOZYRI-INIZCTEOSA-N 1 2 378.542 3.804 20 30 GHEDLO Cn1ncc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1C1CC1 ZINC000328829611 854564955 /nfs/dbraw/zinc/56/49/55/854564955.db2.gz KFNDUUUJIVYRDQ-WMZOPIPTSA-N 1 2 376.863 3.840 20 30 GHEDLO Cn1ncc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1C1CC1 ZINC000328829611 854564963 /nfs/dbraw/zinc/56/49/63/854564963.db2.gz KFNDUUUJIVYRDQ-WMZOPIPTSA-N 1 2 376.863 3.840 20 30 GHEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@H](C)Oc2ccccc2C#N)c(C)c1 ZINC000441505782 855506601 /nfs/dbraw/zinc/50/66/01/855506601.db2.gz YXIPWVSWBSNZNL-GHTZIAJQSA-N 1 2 388.471 3.697 20 30 GHEDLO CC1(C)[C@H](NC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)[C@H]2CCO[C@H]21 ZINC000330263551 862704134 /nfs/dbraw/zinc/70/41/34/862704134.db2.gz WRKWJMXEAOEOQJ-GUDVDZBRSA-N 1 2 380.492 3.835 20 30 GHEDLO C[C@H]1CCN(c2c(C#N)cnc3ccc(OC(F)F)cc32)C[C@H]1n1cc[nH+]c1 ZINC000301663776 855737318 /nfs/dbraw/zinc/73/73/18/855737318.db2.gz YUWBHZVHFITWAF-SCLBCKFNSA-N 1 2 383.402 3.992 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000108358635 855844429 /nfs/dbraw/zinc/84/44/29/855844429.db2.gz DXCYJOGLJLRTOX-MRXNPFEDSA-N 1 2 378.501 3.881 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000108358635 855844431 /nfs/dbraw/zinc/84/44/31/855844431.db2.gz DXCYJOGLJLRTOX-MRXNPFEDSA-N 1 2 378.501 3.881 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)Nc2ccc(F)cc2C#N)[C@@H](C)C1 ZINC000441666318 855912832 /nfs/dbraw/zinc/91/28/32/855912832.db2.gz JVCCTFRQZHRYKK-INIZCTEOSA-N 1 2 396.466 3.834 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)Nc2ccc(F)cc2C#N)[C@@H](C)C1 ZINC000441666318 855912841 /nfs/dbraw/zinc/91/28/41/855912841.db2.gz JVCCTFRQZHRYKK-INIZCTEOSA-N 1 2 396.466 3.834 20 30 GHEDLO Cc1ccc(C(=O)C2CC[NH+](CC(=O)NC3(C#N)CCCCC3)CC2)c(C)c1 ZINC000026641195 856065351 /nfs/dbraw/zinc/06/53/51/856065351.db2.gz XJDMGSRYYMPCCV-UHFFFAOYSA-N 1 2 381.520 3.541 20 30 GHEDLO C[C@@H](C#N)Sc1nnc(C[NH+]2CCCCC2)n1-c1ccc(OC(F)F)cc1 ZINC000045965842 856300880 /nfs/dbraw/zinc/30/08/80/856300880.db2.gz XBYDJDABYJIVKZ-ZDUSSCGKSA-N 1 2 393.463 3.859 20 30 GHEDLO O=C1[C@H]([NH+]2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)CCCN1c1cccc(F)c1 ZINC000674462022 856307921 /nfs/dbraw/zinc/30/79/21/856307921.db2.gz DMUIVJDZBLVISF-MGPQQGTHSA-N 1 2 398.322 3.994 20 30 GHEDLO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000158012524 862781231 /nfs/dbraw/zinc/78/12/31/862781231.db2.gz WGXIVBPTJLBUOK-CTNGQTDRSA-N 1 2 380.513 3.991 20 30 GHEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccc(-c3ccccn3)nc2)CC1 ZINC000591845530 856344480 /nfs/dbraw/zinc/34/44/80/856344480.db2.gz DZJZMBFVPZMWDS-QHCPKHFHSA-N 1 2 387.462 3.665 20 30 GHEDLO CC(C)Cc1noc(CO[NH+]=C(N)c2ccc(COc3ccccc3F)cc2)n1 ZINC000733191927 862790889 /nfs/dbraw/zinc/79/08/89/862790889.db2.gz SUIBZFZKKHLEKO-UHFFFAOYSA-N 1 2 398.438 3.823 20 30 GHEDLO C=CCCOCC[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000231801323 862830102 /nfs/dbraw/zinc/83/01/02/862830102.db2.gz YBBFDROBHWKSPL-UHFFFAOYSA-N 1 2 379.092 3.600 20 30 GHEDLO COCC[N@H+](CC(=O)Nc1cccc(Cl)c1Cl)Cc1ccc(C#N)cc1 ZINC000063754344 857050615 /nfs/dbraw/zinc/05/06/15/857050615.db2.gz WRDQHVPJOOFHIQ-UHFFFAOYSA-N 1 2 392.286 3.952 20 30 GHEDLO COCC[N@@H+](CC(=O)Nc1cccc(Cl)c1Cl)Cc1ccc(C#N)cc1 ZINC000063754344 857050617 /nfs/dbraw/zinc/05/06/17/857050617.db2.gz WRDQHVPJOOFHIQ-UHFFFAOYSA-N 1 2 392.286 3.952 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000008319097 857110314 /nfs/dbraw/zinc/11/03/14/857110314.db2.gz KOPKSCQJQCKRRD-GOSISDBHSA-N 1 2 397.862 3.758 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000008319097 857110321 /nfs/dbraw/zinc/11/03/21/857110321.db2.gz KOPKSCQJQCKRRD-GOSISDBHSA-N 1 2 397.862 3.758 20 30 GHEDLO CC[C@@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1cc(F)cc(Br)c1 ZINC000485841383 857137400 /nfs/dbraw/zinc/13/74/00/857137400.db2.gz AFZHGOVUBKVSEE-SJORKVTESA-N 1 2 390.256 3.727 20 30 GHEDLO COc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282244557 857529126 /nfs/dbraw/zinc/52/91/26/857529126.db2.gz ARNAUUFOXBRKGN-MRXNPFEDSA-N 1 2 379.464 3.511 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249082996 862944587 /nfs/dbraw/zinc/94/45/87/862944587.db2.gz RBFMZLYGUGCKAO-VQTJNVASSA-N 1 2 397.881 3.944 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249082996 862944606 /nfs/dbraw/zinc/94/46/06/862944606.db2.gz RBFMZLYGUGCKAO-VQTJNVASSA-N 1 2 397.881 3.944 20 30 GHEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H](c3ccccc3F)C2)cc1Cl ZINC000066846300 858318589 /nfs/dbraw/zinc/31/85/89/858318589.db2.gz YZNVGTHJVNQMQQ-LJQANCHMSA-N 1 2 387.842 3.753 20 30 GHEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@@H](c3ccccc3F)C2)cc1Cl ZINC000066846300 858318592 /nfs/dbraw/zinc/31/85/92/858318592.db2.gz YZNVGTHJVNQMQQ-LJQANCHMSA-N 1 2 387.842 3.753 20 30 GHEDLO N#Cc1ccc(Br)c(C[NH+]2CCC(Oc3ncccc3F)CC2)c1 ZINC000574995206 858488219 /nfs/dbraw/zinc/48/82/19/858488219.db2.gz BBVZYAGKNNSHBG-UHFFFAOYSA-N 1 2 390.256 3.898 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H](CC#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000595569997 858555840 /nfs/dbraw/zinc/55/58/40/858555840.db2.gz JEQLBIMWOOFUOR-DOPJRALCSA-N 1 2 378.879 3.560 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H](CC#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000595569997 858555845 /nfs/dbraw/zinc/55/58/45/858555845.db2.gz JEQLBIMWOOFUOR-DOPJRALCSA-N 1 2 378.879 3.560 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)N2CC[C@](C)(C#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000595571858 858556026 /nfs/dbraw/zinc/55/60/26/858556026.db2.gz AXEPGNRUHJEWJC-JENIJYKNSA-N 1 2 378.879 3.560 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)N2CC[C@](C)(C#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000595571858 858556031 /nfs/dbraw/zinc/55/60/31/858556031.db2.gz AXEPGNRUHJEWJC-JENIJYKNSA-N 1 2 378.879 3.560 20 30 GHEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)C1 ZINC000595608990 858630171 /nfs/dbraw/zinc/63/01/71/858630171.db2.gz DLXIBLPFMXPFLK-NVXWUHKLSA-N 1 2 382.489 3.644 20 30 GHEDLO N#CC[C@H]1CCC[N@H+](CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)C1 ZINC000595608990 858630179 /nfs/dbraw/zinc/63/01/79/858630179.db2.gz DLXIBLPFMXPFLK-NVXWUHKLSA-N 1 2 382.489 3.644 20 30 GHEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCOC[C@@H]2c2cccc(F)c2)cc1Cl ZINC000595762136 858661463 /nfs/dbraw/zinc/66/14/63/858661463.db2.gz ZXBDNIDPXULTFR-LJQANCHMSA-N 1 2 387.842 3.753 20 30 GHEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCOC[C@@H]2c2cccc(F)c2)cc1Cl ZINC000595762136 858661467 /nfs/dbraw/zinc/66/14/67/858661467.db2.gz ZXBDNIDPXULTFR-LJQANCHMSA-N 1 2 387.842 3.753 20 30 GHEDLO C[C@@H](c1nc2ccccc2o1)[NH+]1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 ZINC000595737031 858669477 /nfs/dbraw/zinc/66/94/77/858669477.db2.gz ZZEZATCBEGUBMC-INIZCTEOSA-N 1 2 398.470 3.973 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000595832542 858703302 /nfs/dbraw/zinc/70/33/02/858703302.db2.gz WWLYFUINHQEMHT-GOEBONIOSA-N 1 2 381.501 3.589 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000595832542 858703306 /nfs/dbraw/zinc/70/33/06/858703306.db2.gz WWLYFUINHQEMHT-GOEBONIOSA-N 1 2 381.501 3.589 20 30 GHEDLO C[N@@H+]1CCO[C@H]([C@@H](Nc2nc3ncccc3cc2C#N)c2ccc(Cl)cc2)C1 ZINC000596179325 858799795 /nfs/dbraw/zinc/79/97/95/858799795.db2.gz VSISRAWYCDIFJG-OALUTQOASA-N 1 2 393.878 3.639 20 30 GHEDLO C[N@H+]1CCO[C@H]([C@@H](Nc2nc3ncccc3cc2C#N)c2ccc(Cl)cc2)C1 ZINC000596179325 858799802 /nfs/dbraw/zinc/79/98/02/858799802.db2.gz VSISRAWYCDIFJG-OALUTQOASA-N 1 2 393.878 3.639 20 30 GHEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)c1cc(C#N)nc(CC)n1 ZINC000596167251 858810927 /nfs/dbraw/zinc/81/09/27/858810927.db2.gz FTKWROGSHNVUBH-UHFFFAOYSA-N 1 2 390.491 3.603 20 30 GHEDLO Cc1cc(N2CCSC[C@H](C)C2)c(C#N)c(N2CCSC[C@@H](C)C2)[nH+]1 ZINC000596205279 858830247 /nfs/dbraw/zinc/83/02/47/858830247.db2.gz HPOYCQIARSMGOU-CABCVRRESA-N 1 2 376.595 3.640 20 30 GHEDLO C[C@@H](NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(C#N)cc1 ZINC000282538851 859145118 /nfs/dbraw/zinc/14/51/18/859145118.db2.gz MHDMSLURLDBZDO-APWZRJJASA-N 1 2 377.492 3.741 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)c2ccccc2SCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000764063143 859166264 /nfs/dbraw/zinc/16/62/64/859166264.db2.gz DUZQSZLFEWNLGA-PKOBYXMFSA-N 1 2 387.455 3.756 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)c2ccccc2SCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000764063143 859166272 /nfs/dbraw/zinc/16/62/72/859166272.db2.gz DUZQSZLFEWNLGA-PKOBYXMFSA-N 1 2 387.455 3.756 20 30 GHEDLO CC[NH+](CC)Cc1nc(C2(NC(=O)CC3(C#N)CCCCC3)CCCC2)no1 ZINC000596922315 859175016 /nfs/dbraw/zinc/17/50/16/859175016.db2.gz NCMAMPUCWDIJHE-UHFFFAOYSA-N 1 2 387.528 3.661 20 30 GHEDLO COc1ccc(C[N@H+](C)CC(=O)NC(c2ccccc2)c2ccccc2)cc1C#N ZINC000429377904 859190364 /nfs/dbraw/zinc/19/03/64/859190364.db2.gz FZDKDNZSGSKQBU-UHFFFAOYSA-N 1 2 399.494 3.904 20 30 GHEDLO COc1ccc(C[N@@H+](C)CC(=O)NC(c2ccccc2)c2ccccc2)cc1C#N ZINC000429377904 859190367 /nfs/dbraw/zinc/19/03/67/859190367.db2.gz FZDKDNZSGSKQBU-UHFFFAOYSA-N 1 2 399.494 3.904 20 30 GHEDLO Cc1ccc2cc(C[NH+]3CCN(c4oc(-c5ccco5)nc4C#N)CC3)[nH]c2c1 ZINC000596983856 859213262 /nfs/dbraw/zinc/21/32/62/859213262.db2.gz HPMKPYZDBHCEJU-UHFFFAOYSA-N 1 2 387.443 3.918 20 30 GHEDLO C#CC[C@@]1(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CCCN1C(=O)OC(C)(C)C ZINC000764339179 859400863 /nfs/dbraw/zinc/40/08/63/859400863.db2.gz VYBPIDSAEHIAHQ-QFIPXVFZSA-N 1 2 394.475 3.604 20 30 GHEDLO CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(Br)cc1C#N ZINC001141816893 859643328 /nfs/dbraw/zinc/64/33/28/859643328.db2.gz OHEBPXJHPDUFKP-UHFFFAOYSA-N 1 2 382.302 3.667 20 30 GHEDLO CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(Br)cc1C#N ZINC001141816893 859643331 /nfs/dbraw/zinc/64/33/31/859643331.db2.gz OHEBPXJHPDUFKP-UHFFFAOYSA-N 1 2 382.302 3.667 20 30 GHEDLO CC(C)(C)Oc1ccc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1C#N ZINC000455804149 859694706 /nfs/dbraw/zinc/69/47/06/859694706.db2.gz WBHFZLRPDQMSOY-UHFFFAOYSA-N 1 2 393.491 3.921 20 30 GHEDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC1 ZINC000611466172 859770723 /nfs/dbraw/zinc/77/07/23/859770723.db2.gz WDYJNVIYJCVLDU-UHFFFAOYSA-N 1 2 389.499 3.517 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(OCc3ccc(F)cc3)CC2)c(C#N)c1C ZINC000091885446 859952606 /nfs/dbraw/zinc/95/26/06/859952606.db2.gz VLSNWIJCHJKTTO-OAHLLOKOSA-N 1 2 399.466 3.915 20 30 GHEDLO C=CC[N@@H+](CCC#N)CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000428863983 860067011 /nfs/dbraw/zinc/06/70/11/860067011.db2.gz RZVOLMSMHDCNMV-JOCHJYFZSA-N 1 2 397.544 3.806 20 30 GHEDLO C=CC[N@H+](CCC#N)CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000428863983 860067024 /nfs/dbraw/zinc/06/70/24/860067024.db2.gz RZVOLMSMHDCNMV-JOCHJYFZSA-N 1 2 397.544 3.806 20 30 GHEDLO C=CC[N@@H+](CCC#N)CC[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000428863985 860067514 /nfs/dbraw/zinc/06/75/14/860067514.db2.gz RZVOLMSMHDCNMV-QFIPXVFZSA-N 1 2 397.544 3.806 20 30 GHEDLO C=CC[N@H+](CCC#N)CC[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000428863985 860067524 /nfs/dbraw/zinc/06/75/24/860067524.db2.gz RZVOLMSMHDCNMV-QFIPXVFZSA-N 1 2 397.544 3.806 20 30 GHEDLO N#Cc1ccc(N2CCC[C@H]([NH+]3CC(c4nc5ccccc5s4)C3)C2=O)cc1 ZINC000329313777 860333678 /nfs/dbraw/zinc/33/36/78/860333678.db2.gz ATZORVLNCJKOBN-IBGZPJMESA-N 1 2 388.496 3.763 20 30 GHEDLO COc1cc(Cl)c(C)cc1NC(=O)C[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602908251 860342406 /nfs/dbraw/zinc/34/24/06/860342406.db2.gz BOPWPSQYZCGJDY-UHFFFAOYSA-N 1 2 398.894 3.742 20 30 GHEDLO N#Cc1cccc(CNC(=O)C[N@@H+](CCC(F)(F)F)Cc2ccccc2)c1 ZINC000484800578 860359050 /nfs/dbraw/zinc/35/90/50/860359050.db2.gz WPKJJUJHDRNPPC-UHFFFAOYSA-N 1 2 375.394 3.629 20 30 GHEDLO N#Cc1cccc(CNC(=O)C[N@H+](CCC(F)(F)F)Cc2ccccc2)c1 ZINC000484800578 860359057 /nfs/dbraw/zinc/35/90/57/860359057.db2.gz WPKJJUJHDRNPPC-UHFFFAOYSA-N 1 2 375.394 3.629 20 30 GHEDLO CCOC(=O)[C@H](Cc1cccc(Cl)c1)[NH2+]CCCC1(C#N)CCOCC1 ZINC000602936346 860362652 /nfs/dbraw/zinc/36/26/52/860362652.db2.gz CLDZYQTXNQKQBS-SFHVURJKSA-N 1 2 378.900 3.504 20 30 GHEDLO CC[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(C)cc1 ZINC000522466834 860663696 /nfs/dbraw/zinc/66/36/96/860663696.db2.gz KNOUUCSTSSTNSS-QFIPXVFZSA-N 1 2 376.504 3.845 20 30 GHEDLO CC(=O)N1CC[N@H+](CC(=O)NCC2(c3ccccc3)CC2)CC12CCCCC2 ZINC000329019736 860952542 /nfs/dbraw/zinc/95/25/42/860952542.db2.gz HLMSDWDCDRQJPQ-UHFFFAOYSA-N 1 2 383.536 3.542 20 30 GHEDLO CC(=O)N1CC[N@@H+](CC(=O)NCC2(c3ccccc3)CC2)CC12CCCCC2 ZINC000329019736 860952549 /nfs/dbraw/zinc/95/25/49/860952549.db2.gz HLMSDWDCDRQJPQ-UHFFFAOYSA-N 1 2 383.536 3.542 20 30 GHEDLO Cc1nn2c(C[NH+]3CCC(NC(=O)CC4CCCC4)CC3)c(C)nc2s1 ZINC000329167855 861093605 /nfs/dbraw/zinc/09/36/05/861093605.db2.gz IVIPORAMIHVBAM-UHFFFAOYSA-N 1 2 375.542 3.909 20 30 GHEDLO O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)N[C@@H]1CCCOCC1 ZINC000329227992 861168759 /nfs/dbraw/zinc/16/87/59/861168759.db2.gz IJTIXYLAJAYLME-RHSMWYFYSA-N 1 2 383.895 3.689 20 30 GHEDLO C=CCCn1cc(C[N@H+]2CCC[C@H](Nc3cccc(Br)c3)C2)nn1 ZINC000668089612 863390405 /nfs/dbraw/zinc/39/04/05/863390405.db2.gz YBWYXZHXLFCANB-KRWDZBQOSA-N 1 2 390.329 3.693 20 30 GHEDLO C=CCCn1cc(C[N@@H+]2CCC[C@H](Nc3cccc(Br)c3)C2)nn1 ZINC000668089612 863390425 /nfs/dbraw/zinc/39/04/25/863390425.db2.gz YBWYXZHXLFCANB-KRWDZBQOSA-N 1 2 390.329 3.693 20 30 GHEDLO COc1ccc(C(C)C)cc1C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000593963437 863549774 /nfs/dbraw/zinc/54/97/74/863549774.db2.gz MGISYJUESSLTPU-UHFFFAOYSA-N 1 2 380.492 3.878 20 30 GHEDLO CCS(=O)(=O)c1ccc2oc(C[NH2+]C3(c4ccc(C#N)cc4)CCC3)nc2c1 ZINC000594030936 863789115 /nfs/dbraw/zinc/78/91/15/863789115.db2.gz ARKLZKQZORHDMQ-UHFFFAOYSA-N 1 2 395.484 3.662 20 30 GHEDLO N#CCn1c(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc2ccccc21 ZINC000609200313 881708166 /nfs/dbraw/zinc/70/81/66/881708166.db2.gz UMHZXUMRPOHARK-RMKNXTFCSA-N 1 2 384.483 3.636 20 30 GHEDLO C#CCOc1ccccc1C[NH2+][C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000734157395 864060968 /nfs/dbraw/zinc/06/09/68/864060968.db2.gz BHQPMTCPSWUQKE-DEOSSOPVSA-N 1 2 384.479 3.846 20 30 GHEDLO N#Cc1c(F)cccc1C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000186051012 864209098 /nfs/dbraw/zinc/20/90/98/864209098.db2.gz DPGZRNDGJLRYPA-UHFFFAOYSA-N 1 2 392.459 3.964 20 30 GHEDLO N#Cc1c(F)cccc1C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000186051012 864209109 /nfs/dbraw/zinc/20/91/09/864209109.db2.gz DPGZRNDGJLRYPA-UHFFFAOYSA-N 1 2 392.459 3.964 20 30 GHEDLO C=CCN1C(=O)c2ccccc2NC12CC[NH+](c1ccc(N(C)C)cc1)CC2 ZINC000840782481 864255061 /nfs/dbraw/zinc/25/50/61/864255061.db2.gz RGPJWNFLRGVXJO-UHFFFAOYSA-N 1 2 376.504 3.803 20 30 GHEDLO C=CCN1C(=O)c2ccccc2NC12CCN(c1ccc([NH+](C)C)cc1)CC2 ZINC000840782481 864255074 /nfs/dbraw/zinc/25/50/74/864255074.db2.gz RGPJWNFLRGVXJO-UHFFFAOYSA-N 1 2 376.504 3.803 20 30 GHEDLO Cn1ncc(C[N@@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c1Cl ZINC000897056655 864373146 /nfs/dbraw/zinc/37/31/46/864373146.db2.gz WDXDDVQXSXRQQD-OCAPTIKFSA-N 1 2 397.697 3.676 20 30 GHEDLO Cn1ncc(C[N@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c1Cl ZINC000897056655 864373159 /nfs/dbraw/zinc/37/31/59/864373159.db2.gz WDXDDVQXSXRQQD-OCAPTIKFSA-N 1 2 397.697 3.676 20 30 GHEDLO COC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)c1ccco1 ZINC000184579633 864719146 /nfs/dbraw/zinc/71/91/46/864719146.db2.gz NPSPQIUBURBRDZ-IBGZPJMESA-N 1 2 398.507 3.991 20 30 GHEDLO C[N@H+](Cc1cc(Cl)ccc1OCC#N)[C@H]1CCCN(c2ccccc2)C1=O ZINC000735310749 864735757 /nfs/dbraw/zinc/73/57/57/864735757.db2.gz DVHKBQLKTBVAMM-IBGZPJMESA-N 1 2 383.879 3.870 20 30 GHEDLO C[N@@H+](Cc1cc(Cl)ccc1OCC#N)[C@H]1CCCN(c2ccccc2)C1=O ZINC000735310749 864735763 /nfs/dbraw/zinc/73/57/63/864735763.db2.gz DVHKBQLKTBVAMM-IBGZPJMESA-N 1 2 383.879 3.870 20 30 GHEDLO CC[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)[C@H](C)CS(C)(=O)=O ZINC000193054354 865317154 /nfs/dbraw/zinc/31/71/54/865317154.db2.gz JITWNCGSKMBYDT-LJQANCHMSA-N 1 2 384.545 3.641 20 30 GHEDLO CC[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)[C@H](C)CS(C)(=O)=O ZINC000193054354 865317171 /nfs/dbraw/zinc/31/71/71/865317171.db2.gz JITWNCGSKMBYDT-LJQANCHMSA-N 1 2 384.545 3.641 20 30 GHEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCO[C@H](c4ccco4)C3)sc2C1 ZINC000121340666 865763669 /nfs/dbraw/zinc/76/36/69/865763669.db2.gz WOFKCZKLRJXOGB-KDOFPFPSSA-N 1 2 399.516 3.740 20 30 GHEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCO[C@H](c4ccco4)C3)sc2C1 ZINC000121340666 865763677 /nfs/dbraw/zinc/76/36/77/865763677.db2.gz WOFKCZKLRJXOGB-KDOFPFPSSA-N 1 2 399.516 3.740 20 30 GHEDLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1NCc1ccc(OCC#N)cc1 ZINC000741246976 866338450 /nfs/dbraw/zinc/33/84/50/866338450.db2.gz PNRYBLYIQWTQIK-UHFFFAOYSA-N 1 2 375.428 3.656 20 30 GHEDLO C#CCOc1ccc(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)cc1 ZINC000741558390 866592235 /nfs/dbraw/zinc/59/22/35/866592235.db2.gz GXVWNLAVIYQTOA-UHFFFAOYSA-N 1 2 399.454 3.587 20 30 GHEDLO N#Cc1ccccc1COc1cccc(C[N@H+](CC(N)=O)Cc2ccccc2)c1 ZINC000093358636 912213951 /nfs/dbraw/zinc/21/39/51/912213951.db2.gz LHLFWYRUUZGFEC-UHFFFAOYSA-N 1 2 385.467 3.625 20 30 GHEDLO N#Cc1ccccc1COc1cccc(C[N@@H+](CC(N)=O)Cc2ccccc2)c1 ZINC000093358636 912213980 /nfs/dbraw/zinc/21/39/80/912213980.db2.gz LHLFWYRUUZGFEC-UHFFFAOYSA-N 1 2 385.467 3.625 20 30 GHEDLO Cc1ccc(CC[C@H](C)N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])o1 ZINC000742267558 867182058 /nfs/dbraw/zinc/18/20/58/867182058.db2.gz SPVZNGWXUJDWDG-AWEZNQCLSA-N 1 2 378.476 3.569 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C[C@@H](c2ccccc2)O1 ZINC000920418212 882094306 /nfs/dbraw/zinc/09/43/06/882094306.db2.gz YZEQWMFGGHPZIR-WVBUVRCRSA-N 1 2 398.466 3.686 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C[C@@H](c2ccccc2)O1 ZINC000920418212 882094324 /nfs/dbraw/zinc/09/43/24/882094324.db2.gz YZEQWMFGGHPZIR-WVBUVRCRSA-N 1 2 398.466 3.686 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)C2(c3cccc(C#N)c3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535131261 868258476 /nfs/dbraw/zinc/25/84/76/868258476.db2.gz VTUCJSVFVUKTRB-WOJBJXKFSA-N 1 2 397.881 3.944 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)C2(c3cccc(C#N)c3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535131261 868258493 /nfs/dbraw/zinc/25/84/93/868258493.db2.gz VTUCJSVFVUKTRB-WOJBJXKFSA-N 1 2 397.881 3.944 20 30 GHEDLO CCOc1ccc([C@@H]2CCC[N@@H+]2Cn2cc3c(c(C#N)c2=O)CCCC3)cc1 ZINC000793485421 882222870 /nfs/dbraw/zinc/22/28/70/882222870.db2.gz ZEJRYFAXRSKAFD-QFIPXVFZSA-N 1 2 377.488 3.792 20 30 GHEDLO CCOc1ccc([C@@H]2CCC[N@H+]2Cn2cc3c(c(C#N)c2=O)CCCC3)cc1 ZINC000793485421 882222878 /nfs/dbraw/zinc/22/28/78/882222878.db2.gz ZEJRYFAXRSKAFD-QFIPXVFZSA-N 1 2 377.488 3.792 20 30 GHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc(Cl)c(C#N)c1 ZINC000539783568 869763527 /nfs/dbraw/zinc/76/35/27/869763527.db2.gz PJTABUQEXAKSMU-UHFFFAOYSA-N 1 2 382.895 3.985 20 30 GHEDLO C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000745913102 869881738 /nfs/dbraw/zinc/88/17/38/869881738.db2.gz UUVFYUCKJBUSQL-NRFANRHFSA-N 1 2 390.462 3.688 20 30 GHEDLO N#Cc1c2c(cn(C[N@@H+]3CCC[C@H](c4nc5ccccc5s4)C3)c1=O)CCC2 ZINC000766611243 871251264 /nfs/dbraw/zinc/25/12/64/871251264.db2.gz HKZKJAORCSTEJY-INIZCTEOSA-N 1 2 390.512 3.655 20 30 GHEDLO N#Cc1c2c(cn(C[N@H+]3CCC[C@H](c4nc5ccccc5s4)C3)c1=O)CCC2 ZINC000766611243 871251281 /nfs/dbraw/zinc/25/12/81/871251281.db2.gz HKZKJAORCSTEJY-INIZCTEOSA-N 1 2 390.512 3.655 20 30 GHEDLO N#Cc1cccc([C@@H](O)C[N@@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC001169216361 871310952 /nfs/dbraw/zinc/31/09/52/871310952.db2.gz HVUQKJUERNOGSI-RBUKOAKNSA-N 1 2 376.378 3.684 20 30 GHEDLO N#Cc1cccc([C@@H](O)C[N@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC001169216361 871310985 /nfs/dbraw/zinc/31/09/85/871310985.db2.gz HVUQKJUERNOGSI-RBUKOAKNSA-N 1 2 376.378 3.684 20 30 GHEDLO N#Cc1c2c(cn(C[N@@H+]3Cc4ccccc4C[C@H]3c3ccccc3)c1=O)CCC2 ZINC000766637807 871344250 /nfs/dbraw/zinc/34/42/50/871344250.db2.gz QWDJMAROFQSWII-DEOSSOPVSA-N 1 2 381.479 3.966 20 30 GHEDLO N#Cc1c2c(cn(C[N@H+]3Cc4ccccc4C[C@H]3c3ccccc3)c1=O)CCC2 ZINC000766637807 871344284 /nfs/dbraw/zinc/34/42/84/871344284.db2.gz QWDJMAROFQSWII-DEOSSOPVSA-N 1 2 381.479 3.966 20 30 GHEDLO CSCCc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000069684443 871372398 /nfs/dbraw/zinc/37/23/98/871372398.db2.gz AUJJAYGIDPTEEO-UHFFFAOYSA-N 1 2 394.544 3.813 20 30 GHEDLO C[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1cccc(N2CCCC2=O)c1 ZINC000539310593 871669169 /nfs/dbraw/zinc/66/91/69/871669169.db2.gz ZSMAIZUQYTZDCT-OAHLLOKOSA-N 1 2 387.443 3.586 20 30 GHEDLO Cc1cc(Cl)ccc1Oc1ccc(C[NH+]2CCN(C(=O)CC#N)CC2)cc1 ZINC001194458381 871699547 /nfs/dbraw/zinc/69/95/47/871699547.db2.gz SAFYMGQLIIMWRH-UHFFFAOYSA-N 1 2 383.879 3.999 20 30 GHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000462190183 871755867 /nfs/dbraw/zinc/75/58/67/871755867.db2.gz RPJFLKMJFCEONO-SFHVURJKSA-N 1 2 376.504 3.822 20 30 GHEDLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)c1ccc(C#CBr)cc1 ZINC001194806908 871961095 /nfs/dbraw/zinc/96/10/95/871961095.db2.gz VSTQOYUMWULMNM-UHFFFAOYSA-N 1 2 394.272 3.848 20 30 GHEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC(Oc3ccc(C#N)cc3)CC1)C2 ZINC000526023372 871965515 /nfs/dbraw/zinc/96/55/15/871965515.db2.gz MDKWBRRZIRSLDH-KRWDZBQOSA-N 1 2 392.503 3.580 20 30 GHEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC(Oc3ccc(C#N)cc3)CC1)CC2 ZINC000526023372 871965532 /nfs/dbraw/zinc/96/55/32/871965532.db2.gz MDKWBRRZIRSLDH-KRWDZBQOSA-N 1 2 392.503 3.580 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(C#N)c1 ZINC000463594697 872117775 /nfs/dbraw/zinc/11/77/75/872117775.db2.gz VXRVBWMDNBYGDZ-KSZLIROESA-N 1 2 377.488 3.910 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(C#N)c1 ZINC000463594697 872117783 /nfs/dbraw/zinc/11/77/83/872117783.db2.gz VXRVBWMDNBYGDZ-KSZLIROESA-N 1 2 377.488 3.910 20 30 GHEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+](Cc3ccccc3[N+](=O)[O-])C3CC3)C2=O)cc1 ZINC000447891647 872486085 /nfs/dbraw/zinc/48/60/85/872486085.db2.gz RFZKFCWBWXIPQR-OAQYLSRUSA-N 1 2 390.443 3.626 20 30 GHEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+](Cc3ccccc3[N+](=O)[O-])C3CC3)C2=O)cc1 ZINC000447891647 872486100 /nfs/dbraw/zinc/48/61/00/872486100.db2.gz RFZKFCWBWXIPQR-OAQYLSRUSA-N 1 2 390.443 3.626 20 30 GHEDLO N#CCSc1ccccc1C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000767540139 872625654 /nfs/dbraw/zinc/62/56/54/872625654.db2.gz VLYRTGKLAWKGJW-TWGQIWQCSA-N 1 2 377.513 3.773 20 30 GHEDLO N#Cc1ccc([C@H](O)C[NH+]2CCN(c3c(Cl)cccc3Cl)CC2)cc1 ZINC000767929804 872963962 /nfs/dbraw/zinc/96/39/62/872963962.db2.gz BFZGHYOWZVFFCP-GOSISDBHSA-N 1 2 376.287 3.721 20 30 GHEDLO CC(C)[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1cccc(Cl)c1 ZINC000478424661 873005365 /nfs/dbraw/zinc/00/53/65/873005365.db2.gz GLPJHOVZYGXBEZ-UHFFFAOYSA-N 1 2 376.909 3.896 20 30 GHEDLO CC(C)[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)Cc1cccc(Cl)c1 ZINC000478424661 873005384 /nfs/dbraw/zinc/00/53/84/873005384.db2.gz GLPJHOVZYGXBEZ-UHFFFAOYSA-N 1 2 376.909 3.896 20 30 GHEDLO N#Cc1ccccc1NC(=S)NCc1c[nH+]cn1Cc1ccc(Cl)cc1 ZINC001196345750 873045212 /nfs/dbraw/zinc/04/52/12/873045212.db2.gz DJWBSXBOAKHVOK-UHFFFAOYSA-N 1 2 381.892 3.943 20 30 GHEDLO N#Cc1ccccc1NC(=S)NCc1c[nH+]cn1Cc1ccccc1Cl ZINC001196350764 873050027 /nfs/dbraw/zinc/05/00/27/873050027.db2.gz NEPADQXPZXKQGL-UHFFFAOYSA-N 1 2 381.892 3.943 20 30 GHEDLO N#CCOc1ccc(NC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)cc1 ZINC001197036239 873559602 /nfs/dbraw/zinc/55/96/02/873559602.db2.gz AAODIULVJADJQZ-UHFFFAOYSA-N 1 2 381.823 3.750 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)cc1C ZINC001197316586 873704439 /nfs/dbraw/zinc/70/44/39/873704439.db2.gz PGSDYQVXDKMQSD-GOTSBHOMSA-N 1 2 388.515 3.513 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)cc1C ZINC001197316586 873704449 /nfs/dbraw/zinc/70/44/49/873704449.db2.gz PGSDYQVXDKMQSD-GOTSBHOMSA-N 1 2 388.515 3.513 20 30 GHEDLO C=CCn1c2nn(C[N@@H+]3CCC[C@@H]3C3CCC3)c(=S)n2c2ccccc2c1=O ZINC000102886049 873793075 /nfs/dbraw/zinc/79/30/75/873793075.db2.gz XPENESXRZXTUQC-QGZVFWFLSA-N 1 2 395.532 3.588 20 30 GHEDLO C=CCn1c2nn(C[N@H+]3CCC[C@@H]3C3CCC3)c(=S)n2c2ccccc2c1=O ZINC000102886049 873793082 /nfs/dbraw/zinc/79/30/82/873793082.db2.gz XPENESXRZXTUQC-QGZVFWFLSA-N 1 2 395.532 3.588 20 30 GHEDLO N#Cc1cc(Br)ccc1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000448726806 873823718 /nfs/dbraw/zinc/82/37/18/873823718.db2.gz UDQKLDHXRDQTPT-UHFFFAOYSA-N 1 2 399.292 3.636 20 30 GHEDLO C=CC[C@@H](CC)NC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000541580624 873868795 /nfs/dbraw/zinc/86/87/95/873868795.db2.gz VJGGVAWGUZGRQQ-CQSZACIVSA-N 1 2 379.302 3.602 20 30 GHEDLO CC(C)(C)OC(=O)N1CCN(c2ccc(NCc3cccc(C#N)c3)[nH+]c2)CC1 ZINC000769404486 874026187 /nfs/dbraw/zinc/02/61/87/874026187.db2.gz XTJJUMAUSYMQAD-UHFFFAOYSA-N 1 2 393.491 3.622 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(c2nc(C)c(C)[nH]2)CC1 ZINC001197844460 874067386 /nfs/dbraw/zinc/06/73/86/874067386.db2.gz GNUFMGVRGYJNTF-KRWDZBQOSA-N 1 2 386.565 3.871 20 30 GHEDLO Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000770385964 874606410 /nfs/dbraw/zinc/60/64/10/874606410.db2.gz RWPUTICDWHGJAQ-DEOSSOPVSA-N 1 2 386.499 3.993 20 30 GHEDLO Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000770385964 874606415 /nfs/dbraw/zinc/60/64/15/874606415.db2.gz RWPUTICDWHGJAQ-DEOSSOPVSA-N 1 2 386.499 3.993 20 30 GHEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000770688536 874838617 /nfs/dbraw/zinc/83/86/17/874838617.db2.gz MMPPZBYJCDXGHI-AQIZGWBQSA-N 1 2 388.511 3.998 20 30 GHEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000770688536 874838628 /nfs/dbraw/zinc/83/86/28/874838628.db2.gz MMPPZBYJCDXGHI-AQIZGWBQSA-N 1 2 388.511 3.998 20 30 GHEDLO C[NH+](C)Cc1nc(CSCCNc2cc(CC#N)ccc2[N+](=O)[O-])cs1 ZINC001168109263 874846581 /nfs/dbraw/zinc/84/65/81/874846581.db2.gz XZSRISMOEYFKTO-UHFFFAOYSA-N 1 2 391.522 3.524 20 30 GHEDLO C=CC1CCN(C(=O)N[C@@H]2CC[N@@H+](CC)[C@@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC000542048227 874851431 /nfs/dbraw/zinc/85/14/31/874851431.db2.gz VTKRJYSEFROQAT-IEBWSBKVSA-N 1 2 381.442 3.847 20 30 GHEDLO C=CC1CCN(C(=O)N[C@@H]2CC[N@H+](CC)[C@@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC000542048227 874851444 /nfs/dbraw/zinc/85/14/44/874851444.db2.gz VTKRJYSEFROQAT-IEBWSBKVSA-N 1 2 381.442 3.847 20 30 GHEDLO N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccn4cc[nH+]c4c3)cc2)nc1 ZINC001199245147 874871257 /nfs/dbraw/zinc/87/12/57/874871257.db2.gz MZMMRUUAUVTKJA-UHFFFAOYSA-N 1 2 384.399 3.715 20 30 GHEDLO S=C1N=NC(Cc2cccc3ccccc32)N1N=Cc1cccc2[nH+]ccn21 ZINC000771087757 875024605 /nfs/dbraw/zinc/02/46/05/875024605.db2.gz HYMNIRWLZSARBV-UHFFFAOYSA-N 1 2 384.468 3.841 20 30 GHEDLO C=C(C)COc1cccc(NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)c1 ZINC001199787533 875188389 /nfs/dbraw/zinc/18/83/89/875188389.db2.gz VMVTXOMHMICWSB-UHFFFAOYSA-N 1 2 398.532 3.911 20 30 GHEDLO Cc1cc(NCCSCc2csc(C[NH+](C)C)n2)cc([N+](=O)[O-])c1C#N ZINC001168112456 875310578 /nfs/dbraw/zinc/31/05/78/875310578.db2.gz WATOFHLMXQRSIB-UHFFFAOYSA-N 1 2 391.522 3.638 20 30 GHEDLO C[NH+](C)Cc1nc(CSCCNc2ccc3c(C#N)nccc3c2)cs1 ZINC001168112690 875314873 /nfs/dbraw/zinc/31/48/73/875314873.db2.gz ZEGSFRHOLFLSIK-UHFFFAOYSA-N 1 2 383.546 3.970 20 30 GHEDLO C#Cc1cccc(N(c2ccc(N)[nH+]c2)c2ncnc3cc(OC)c(N)cc32)c1 ZINC001201295899 875615928 /nfs/dbraw/zinc/61/59/28/875615928.db2.gz WVNUYDUVVKSBEW-UHFFFAOYSA-N 1 2 382.427 3.649 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(C(=O)NCCCC)CC1 ZINC000029927477 875697890 /nfs/dbraw/zinc/69/78/90/875697890.db2.gz FXUCKYYEOZMNER-UHFFFAOYSA-N 1 2 389.565 3.532 20 30 GHEDLO N#Cc1c(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)sc2c1CCCCC2 ZINC000610150748 877485663 /nfs/dbraw/zinc/48/56/63/877485663.db2.gz NTBUWMWDWZIFKM-IBGZPJMESA-N 1 2 395.528 3.728 20 30 GHEDLO N#Cc1c(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)sc2c1CCCCC2 ZINC000610150748 877485666 /nfs/dbraw/zinc/48/56/66/877485666.db2.gz NTBUWMWDWZIFKM-IBGZPJMESA-N 1 2 395.528 3.728 20 30 GHEDLO CCCCO[C@@H]1C[C@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])C1(C)C ZINC000176449110 877734732 /nfs/dbraw/zinc/73/47/32/877734732.db2.gz UQBJNTUMSYQKII-RBUKOAKNSA-N 1 2 396.535 3.630 20 30 GHEDLO C#CCOc1cccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000788290984 877999161 /nfs/dbraw/zinc/99/91/61/877999161.db2.gz KROSNZCBUHQCIZ-WOJBJXKFSA-N 1 2 385.414 3.544 20 30 GHEDLO C#CCOc1cccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000788290984 877999171 /nfs/dbraw/zinc/99/91/71/877999171.db2.gz KROSNZCBUHQCIZ-WOJBJXKFSA-N 1 2 385.414 3.544 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550469 878129529 /nfs/dbraw/zinc/12/95/29/878129529.db2.gz RVGRBKCEILZYFU-MRXNPFEDSA-N 1 2 398.850 3.938 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550469 878129548 /nfs/dbraw/zinc/12/95/48/878129548.db2.gz RVGRBKCEILZYFU-MRXNPFEDSA-N 1 2 398.850 3.938 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c(C#N)c1C ZINC000451553206 878138012 /nfs/dbraw/zinc/13/80/12/878138012.db2.gz XVFXGHQALLALSU-YOEHRIQHSA-N 1 2 396.447 3.883 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c(C#N)c1C ZINC000451553206 878138020 /nfs/dbraw/zinc/13/80/20/878138020.db2.gz XVFXGHQALLALSU-YOEHRIQHSA-N 1 2 396.447 3.883 20 30 GHEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000852326775 878242133 /nfs/dbraw/zinc/24/21/33/878242133.db2.gz PAQCVPZFPKBNDS-HXUWFJFHSA-N 1 2 386.858 3.760 20 30 GHEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000852326775 878242154 /nfs/dbraw/zinc/24/21/54/878242154.db2.gz PAQCVPZFPKBNDS-HXUWFJFHSA-N 1 2 386.858 3.760 20 30 GHEDLO Cc1noc(C)c1CN(C)c1cc(C)[nH+]c(N(C)Cc2c(C)noc2C)c1C#N ZINC000853153193 878849053 /nfs/dbraw/zinc/84/90/53/878849053.db2.gz HQEMTOVZUMRNNM-UHFFFAOYSA-N 1 2 394.479 3.744 20 30 GHEDLO Cc1nc(NC2CCN(c3ccccc3C#N)CC2)c(Br)c(C)[nH+]1 ZINC000853411390 879007880 /nfs/dbraw/zinc/00/78/80/879007880.db2.gz KSRRONQGUMRJGL-UHFFFAOYSA-N 1 2 386.297 3.809 20 30 GHEDLO C#CCOc1ccccc1C[NH+]1CCN(Cc2csc([C@H](C)OCC)n2)CC1 ZINC000093737071 912408689 /nfs/dbraw/zinc/40/86/89/912408689.db2.gz GEVVMOAFJBNLGH-SFHVURJKSA-N 1 2 399.560 3.570 20 30 GHEDLO C[C@@]1(c2ccc(Cl)c(Cl)c2)CC(=O)N(C[N@@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853524263 879085660 /nfs/dbraw/zinc/08/56/60/879085660.db2.gz LOVYOEJUFQVFQE-DJJJIMSYSA-N 1 2 394.302 3.593 20 30 GHEDLO C[C@@]1(c2ccc(Cl)c(Cl)c2)CC(=O)N(C[N@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000853524263 879085669 /nfs/dbraw/zinc/08/56/69/879085669.db2.gz LOVYOEJUFQVFQE-DJJJIMSYSA-N 1 2 394.302 3.593 20 30 GHEDLO Cc1cc(Br)cn2c(CN=Nc3cccc(F)c3[N+](=O)[O-])c[nH+]c12 ZINC000790310479 879613114 /nfs/dbraw/zinc/61/31/14/879613114.db2.gz IMRPWIBTOSNWTB-UHFFFAOYSA-N 1 2 392.188 3.899 20 30 GHEDLO N#CC1(CS(=O)(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CCCC1 ZINC000790424282 879708402 /nfs/dbraw/zinc/70/84/02/879708402.db2.gz RWZALZOTDORZMJ-UHFFFAOYSA-N 1 2 385.489 3.679 20 30 GHEDLO N#Cc1cc(Br)cc(COC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000790859625 880058524 /nfs/dbraw/zinc/05/85/24/880058524.db2.gz ATPXGYFBJIQPKW-UHFFFAOYSA-N 1 2 382.217 3.863 20 30 GHEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000531587310 880164064 /nfs/dbraw/zinc/16/40/64/880164064.db2.gz FZTRMBPLJHIHLK-YOEHRIQHSA-N 1 2 378.314 3.594 20 30 GHEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000531587310 880164077 /nfs/dbraw/zinc/16/40/77/880164077.db2.gz FZTRMBPLJHIHLK-YOEHRIQHSA-N 1 2 378.314 3.594 20 30 GHEDLO CON=Cc1ccc(C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)cc1 ZINC000791275649 880300868 /nfs/dbraw/zinc/30/08/68/880300868.db2.gz WEHKQSMREMGVRB-SFHVURJKSA-N 1 2 380.492 3.725 20 30 GHEDLO CON=Cc1ccc(C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)cc1 ZINC000791275649 880300873 /nfs/dbraw/zinc/30/08/73/880300873.db2.gz WEHKQSMREMGVRB-SFHVURJKSA-N 1 2 380.492 3.725 20 30 GHEDLO C[C@H]1C(=O)N(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)[C@@H]1c1ccccc1 ZINC000795713081 912640040 /nfs/dbraw/zinc/64/00/40/912640040.db2.gz BDPMUWHSNFNZEG-ZHRRBRCNSA-N 1 2 393.462 3.718 20 30 GHEDLO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccccc1C#N)c1ccccc1Cl ZINC000499106055 881089906 /nfs/dbraw/zinc/08/99/06/881089906.db2.gz FSKNXVSSOITJTQ-SFHVURJKSA-N 1 2 391.924 3.573 20 30 GHEDLO N#Cc1ccc(Oc2ccc(C(=O)NC3CCN(c4cccc[nH+]4)CC3)cc2)nc1 ZINC000609500747 883268890 /nfs/dbraw/zinc/26/88/90/883268890.db2.gz SPLKOOKVTYRXEJ-UHFFFAOYSA-N 1 2 399.454 3.539 20 30 GHEDLO C[C@@H](C(=O)N[C@H](C#N)c1ccccc1Br)[N@@H+]1CCc2ccccc2C1 ZINC000609875970 883765515 /nfs/dbraw/zinc/76/55/15/883765515.db2.gz LBBKBFSCGKLEQW-IFXJQAMLSA-N 1 2 398.304 3.577 20 30 GHEDLO C[C@@H](C(=O)N[C@H](C#N)c1ccccc1Br)[N@H+]1CCc2ccccc2C1 ZINC000609875970 883765526 /nfs/dbraw/zinc/76/55/26/883765526.db2.gz LBBKBFSCGKLEQW-IFXJQAMLSA-N 1 2 398.304 3.577 20 30 GHEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C(C)(C)c1ccc(C#N)cc1 ZINC000859491043 883848465 /nfs/dbraw/zinc/84/84/65/883848465.db2.gz RKZAYGPNPSFZDH-UHFFFAOYSA-N 1 2 377.488 3.615 20 30 GHEDLO C[N@H+](CC(F)F)C1CCN(C(=O)c2cc(F)c(C(F)(F)F)c(F)c2)CC1 ZINC000760382353 884024740 /nfs/dbraw/zinc/02/47/40/884024740.db2.gz GIKUALBXEYCNGI-UHFFFAOYSA-N 1 2 386.311 3.785 20 30 GHEDLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2cc(F)c(C(F)(F)F)c(F)c2)CC1 ZINC000760382353 884024759 /nfs/dbraw/zinc/02/47/59/884024759.db2.gz GIKUALBXEYCNGI-UHFFFAOYSA-N 1 2 386.311 3.785 20 30 GHEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@H](O)Cc3ccccc3C(F)(F)F)CCO2)c1 ZINC000761765031 884151484 /nfs/dbraw/zinc/15/14/84/884151484.db2.gz HIHNKHZHCFUUKY-UYAOXDASSA-N 1 2 390.405 3.554 20 30 GHEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@H](O)Cc3ccccc3C(F)(F)F)CCO2)c1 ZINC000761765031 884151492 /nfs/dbraw/zinc/15/14/92/884151492.db2.gz HIHNKHZHCFUUKY-UYAOXDASSA-N 1 2 390.405 3.554 20 30 GHEDLO Cc1nc(C[NH+]2CCC(C(=O)OC[C@H](C#N)Cc3ccccc3)CC2)cs1 ZINC000805893322 884179025 /nfs/dbraw/zinc/17/90/25/884179025.db2.gz OMHVFYFRVQZVBG-SFHVURJKSA-N 1 2 383.517 3.589 20 30 GHEDLO COC1CCC(CCNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)CC1 ZINC001183842047 912845835 /nfs/dbraw/zinc/84/58/35/912845835.db2.gz QWYJFIMMWIKPCG-UDJZJCJKSA-N 1 2 383.536 3.624 20 30 GHEDLO COC1CCC(CCNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)CC1 ZINC001183842047 912845847 /nfs/dbraw/zinc/84/58/47/912845847.db2.gz QWYJFIMMWIKPCG-UDJZJCJKSA-N 1 2 383.536 3.624 20 30 GHEDLO Cc1nc(C[NH+]2CCC(C(=O)OCC#Cc3ccccc3Cl)CC2)cs1 ZINC000860933634 885105642 /nfs/dbraw/zinc/10/56/42/885105642.db2.gz UVJDUXKBRLSMDI-UHFFFAOYSA-N 1 2 388.920 3.912 20 30 GHEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000537561887 885419003 /nfs/dbraw/zinc/41/90/03/885419003.db2.gz PDGXVPUJLCNKBJ-IEBWSBKVSA-N 1 2 387.572 3.845 20 30 GHEDLO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000537561887 885419007 /nfs/dbraw/zinc/41/90/07/885419007.db2.gz PDGXVPUJLCNKBJ-IEBWSBKVSA-N 1 2 387.572 3.845 20 30 GHEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104714061 885571753 /nfs/dbraw/zinc/57/17/53/885571753.db2.gz QKKRMQHPQHTXBM-KRWDZBQOSA-N 1 2 393.487 3.746 20 30 GHEDLO CCc1ccc([C@H](COC)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)o1 ZINC000542557904 885819372 /nfs/dbraw/zinc/81/93/72/885819372.db2.gz XXLWPRSUXDRKFK-BEFAXECRSA-N 1 2 387.455 3.594 20 30 GHEDLO N#CCOc1cccc(CC(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)c1 ZINC000807948218 885887296 /nfs/dbraw/zinc/88/72/96/885887296.db2.gz ALUPEQQPCXNPLF-SFHVURJKSA-N 1 2 392.503 3.576 20 30 GHEDLO N#CCOc1cccc(CC(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)c1 ZINC000807948218 885887312 /nfs/dbraw/zinc/88/73/12/885887312.db2.gz ALUPEQQPCXNPLF-SFHVURJKSA-N 1 2 392.503 3.576 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)cc1Cl ZINC000532517992 885916983 /nfs/dbraw/zinc/91/69/83/885916983.db2.gz IHIVNYDPYAWULP-GOSISDBHSA-N 1 2 397.862 3.758 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)cc1Cl ZINC000532517992 885916995 /nfs/dbraw/zinc/91/69/95/885916995.db2.gz IHIVNYDPYAWULP-GOSISDBHSA-N 1 2 397.862 3.758 20 30 GHEDLO COC(=O)c1ccc(C2C[NH+](Cc3ccc(C#N)cc3Br)C2)cc1 ZINC001137640128 886129190 /nfs/dbraw/zinc/12/91/90/886129190.db2.gz SPYCXWKRCDZHDJ-UHFFFAOYSA-N 1 2 385.261 3.707 20 30 GHEDLO C=CCOc1cccc(NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000056598698 886276930 /nfs/dbraw/zinc/27/69/30/886276930.db2.gz XVWAYNVAXRLTSV-UHFFFAOYSA-N 1 2 376.460 3.860 20 30 GHEDLO C=CCc1cc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc(OC)c1OC ZINC000919833270 886503860 /nfs/dbraw/zinc/50/38/60/886503860.db2.gz AKSYICOHSRPMKE-UHFFFAOYSA-N 1 2 377.444 3.548 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](CN3C[C@@H](c4ccccc4)OC3=O)CC2)c(F)c1 ZINC000863267727 886982544 /nfs/dbraw/zinc/98/25/44/886982544.db2.gz UOWQQCIIKPUCTE-NRFANRHFSA-N 1 2 395.434 3.692 20 30 GHEDLO C[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[C@H](C)[NH+]1CCOCC1 ZINC000105039184 887293358 /nfs/dbraw/zinc/29/33/58/887293358.db2.gz PPJWSAZVAGTOFZ-SJORKVTESA-N 1 2 394.475 3.581 20 30 GHEDLO C[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[C@H](C)[NH+]1CCOCC1 ZINC000105039180 887295614 /nfs/dbraw/zinc/29/56/14/887295614.db2.gz PPJWSAZVAGTOFZ-IRXDYDNUSA-N 1 2 394.475 3.581 20 30 GHEDLO CC[N@@H+](Cc1cccc(-c2ccncc2)c1)Cn1nc(CC#N)n(C)c1=S ZINC000794635381 887701384 /nfs/dbraw/zinc/70/13/84/887701384.db2.gz XDUQYOFYCIEUJW-UHFFFAOYSA-N 1 2 378.505 3.559 20 30 GHEDLO CC[N@H+](Cc1cccc(-c2ccncc2)c1)Cn1nc(CC#N)n(C)c1=S ZINC000794635381 887701398 /nfs/dbraw/zinc/70/13/98/887701398.db2.gz XDUQYOFYCIEUJW-UHFFFAOYSA-N 1 2 378.505 3.559 20 30 GHEDLO C[NH+](C)Cc1cnc(/C=C2\Cc3c(c(Br)ccc3F)C2=O)s1 ZINC000794699898 887873767 /nfs/dbraw/zinc/87/37/67/887873767.db2.gz DBCOWWVNYNJIDW-RMKNXTFCSA-N 1 2 381.270 3.929 20 30 GHEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@H](c3ccn[nH]3)C1)CCCCC2 ZINC000193996004 887944288 /nfs/dbraw/zinc/94/42/88/887944288.db2.gz VGSROSIKVSBOTM-HNNXBMFYSA-N 1 2 397.548 3.820 20 30 GHEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@H](c3ccn[nH]3)C1)CCCCC2 ZINC000193996004 887944289 /nfs/dbraw/zinc/94/42/89/887944289.db2.gz VGSROSIKVSBOTM-HNNXBMFYSA-N 1 2 397.548 3.820 20 30 GHEDLO N#Cc1cccc(C[N@H+]2CCC[C@@]23CCN(CCC(F)(F)F)C3=O)c1Cl ZINC001275308052 913204538 /nfs/dbraw/zinc/20/45/38/913204538.db2.gz JRWJVBGNARTNPM-KRWDZBQOSA-N 1 2 385.817 3.731 20 30 GHEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@]23CCN(CCC(F)(F)F)C3=O)c1Cl ZINC001275308052 913204554 /nfs/dbraw/zinc/20/45/54/913204554.db2.gz JRWJVBGNARTNPM-KRWDZBQOSA-N 1 2 385.817 3.731 20 30 GHEDLO N#Cc1cccc(OCC[N@H+]2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)c1 ZINC000287264109 913221631 /nfs/dbraw/zinc/22/16/31/913221631.db2.gz HLGNSGDPJYYRSV-HNNXBMFYSA-N 1 2 380.370 3.652 20 30 GHEDLO N#Cc1cccc(OCC[N@@H+]2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)c1 ZINC000287264109 913221646 /nfs/dbraw/zinc/22/16/46/913221646.db2.gz HLGNSGDPJYYRSV-HNNXBMFYSA-N 1 2 380.370 3.652 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CCC[C@H](C(F)(F)F)C3)CC2)cc1 ZINC000026296675 888456495 /nfs/dbraw/zinc/45/64/95/888456495.db2.gz CONCMBUUMVHISJ-ROUUACIJSA-N 1 2 394.441 3.507 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCc3ccc(O)cc3C2)c1 ZINC000532732322 888833115 /nfs/dbraw/zinc/83/31/15/888833115.db2.gz VNVQOXJSIKKUED-SFHVURJKSA-N 1 2 377.488 3.703 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCc3ccc(O)cc3C2)c1 ZINC000532732322 888833126 /nfs/dbraw/zinc/83/31/26/888833126.db2.gz VNVQOXJSIKKUED-SFHVURJKSA-N 1 2 377.488 3.703 20 30 GHEDLO C[C@@H]([NH2+][C@H](CCO)c1ccccc1Br)c1cccc(C#N)c1O ZINC000866335097 888836260 /nfs/dbraw/zinc/83/62/60/888836260.db2.gz DNECHLPBQYINOI-SJKOYZFVSA-N 1 2 375.266 3.801 20 30 GHEDLO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC001132621758 889202109 /nfs/dbraw/zinc/20/21/09/889202109.db2.gz JCCOUXSDMHYMEH-OAQYLSRUSA-N 1 2 387.439 3.647 20 30 GHEDLO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC001132621758 889202121 /nfs/dbraw/zinc/20/21/21/889202121.db2.gz JCCOUXSDMHYMEH-OAQYLSRUSA-N 1 2 387.439 3.647 20 30 GHEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000063403454 889603399 /nfs/dbraw/zinc/60/33/99/889603399.db2.gz MAVOCVVMRPKCJB-UHFFFAOYSA-N 1 2 391.431 3.678 20 30 GHEDLO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000126017619 890333102 /nfs/dbraw/zinc/33/31/02/890333102.db2.gz WZKSJXYGOKCPDJ-JOCHJYFZSA-N 1 2 376.504 3.677 20 30 GHEDLO Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000533547864 890822906 /nfs/dbraw/zinc/82/29/06/890822906.db2.gz APCALVWRPOKELY-QGZVFWFLSA-N 1 2 397.519 3.976 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC([C@@H](O)c3ccc(OC)cc3)CC2)c1C ZINC000812857591 891006206 /nfs/dbraw/zinc/00/62/06/891006206.db2.gz QWLGBTJTAMEYAP-DEOSSOPVSA-N 1 2 396.531 3.928 20 30 GHEDLO [NH3+][C@H](c1nc(COCC(F)(F)C(F)F)no1)c1cccc(C(F)(F)F)c1 ZINC000872180417 891204765 /nfs/dbraw/zinc/20/47/65/891204765.db2.gz PRWPXNQHOCUKDQ-JTQLQIEISA-N 1 2 387.255 3.554 20 30 GHEDLO NC(=[NH+]OCc1ccc([N+](=O)[O-])cc1F)c1ccc(OCc2cccnc2)cc1 ZINC000747832083 891211175 /nfs/dbraw/zinc/21/11/75/891211175.db2.gz KYAPMVRLTATWSX-UHFFFAOYSA-N 1 2 396.378 3.545 20 30 GHEDLO CCn1cc(C[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C(C)C)cn1 ZINC000593079693 891460075 /nfs/dbraw/zinc/46/00/75/891460075.db2.gz JSBJJTUFVSPZHR-UHFFFAOYSA-N 1 2 399.564 3.954 20 30 GHEDLO CCn1cc(C[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C(C)C)cn1 ZINC000593079693 891460082 /nfs/dbraw/zinc/46/00/82/891460082.db2.gz JSBJJTUFVSPZHR-UHFFFAOYSA-N 1 2 399.564 3.954 20 30 GHEDLO CCOc1ccc(C2N=NC(=S)N2N=Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000917590257 892284052 /nfs/dbraw/zinc/28/40/52/892284052.db2.gz SRSXEUUNWJNQJA-UHFFFAOYSA-N 1 2 390.472 3.700 20 30 GHEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3cnc(C#N)c(Cl)c3)CC2)c1 ZINC000455789967 893284157 /nfs/dbraw/zinc/28/41/57/893284157.db2.gz PNPUQQSUBHTFFM-AWEZNQCLSA-N 1 2 399.882 3.526 20 30 GHEDLO C[N@H+](Cc1ccc(C#N)cc1Br)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000778221654 893379673 /nfs/dbraw/zinc/37/96/73/893379673.db2.gz VZCLSESZYYHARP-HNNXBMFYSA-N 1 2 394.313 3.762 20 30 GHEDLO C[N@@H+](Cc1ccc(C#N)cc1Br)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000778221654 893379691 /nfs/dbraw/zinc/37/96/91/893379691.db2.gz VZCLSESZYYHARP-HNNXBMFYSA-N 1 2 394.313 3.762 20 30 GHEDLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)c2cn(CCC#N)c3ccccc23)nc1 ZINC000934345429 893560204 /nfs/dbraw/zinc/56/02/04/893560204.db2.gz DBGGBIOSVYVPJR-QFIPXVFZSA-N 1 2 388.471 3.978 20 30 GHEDLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)c2cn(CCC#N)c3ccccc23)nc1 ZINC000934345429 893560217 /nfs/dbraw/zinc/56/02/17/893560217.db2.gz DBGGBIOSVYVPJR-QFIPXVFZSA-N 1 2 388.471 3.978 20 30 GHEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(C(=O)c2ccccc2Cl)CC1 ZINC000934425098 893632460 /nfs/dbraw/zinc/63/24/60/893632460.db2.gz JCGWICASKOMSPK-BTYIYWSLSA-N 1 2 389.927 3.678 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC3(CC2)OCCc2ccccc23)c(C#N)c1C ZINC000459516594 893681310 /nfs/dbraw/zinc/68/13/10/893681310.db2.gz HXTJGNGMQYPZJD-MRXNPFEDSA-N 1 2 393.487 3.659 20 30 GHEDLO C[N@@H+](Cc1cc(C#N)cnc1Cl)C[C@@H](O)c1cccc(Br)c1 ZINC000877587755 893704877 /nfs/dbraw/zinc/70/48/77/893704877.db2.gz HTVFEZUVBLZIIH-OAHLLOKOSA-N 1 2 380.673 3.535 20 30 GHEDLO C[N@H+](Cc1cc(C#N)cnc1Cl)C[C@@H](O)c1cccc(Br)c1 ZINC000877587755 893704886 /nfs/dbraw/zinc/70/48/86/893704886.db2.gz HTVFEZUVBLZIIH-OAHLLOKOSA-N 1 2 380.673 3.535 20 30 GHEDLO C[N@@H+](Cc1nc(Cl)ccc1Br)C[C@H](O)c1cccc(C#N)c1 ZINC000877608955 893714295 /nfs/dbraw/zinc/71/42/95/893714295.db2.gz AQHXMBQLXXROOS-HNNXBMFYSA-N 1 2 380.673 3.535 20 30 GHEDLO C[N@H+](Cc1nc(Cl)ccc1Br)C[C@H](O)c1cccc(C#N)c1 ZINC000877608955 893714302 /nfs/dbraw/zinc/71/43/02/893714302.db2.gz AQHXMBQLXXROOS-HNNXBMFYSA-N 1 2 380.673 3.535 20 30 GHEDLO C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000879135657 894857206 /nfs/dbraw/zinc/85/72/06/894857206.db2.gz DHHRNNNTEZGKPF-BRWVUGGUSA-N 1 2 379.464 3.917 20 30 GHEDLO C[C@@H]1CCN(C(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)C[C@H]1n1cc[nH+]c1 ZINC000880927041 896004741 /nfs/dbraw/zinc/00/47/41/896004741.db2.gz DWKRVENXVMANNZ-KBRIMQKVSA-N 1 2 391.397 3.651 20 30 GHEDLO N#CCCC1CC[NH+](Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000566172359 896155636 /nfs/dbraw/zinc/15/56/36/896155636.db2.gz DIGUXPFILFTUPR-UHFFFAOYSA-N 1 2 399.232 3.715 20 30 GHEDLO C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)s1 ZINC000819363255 896639421 /nfs/dbraw/zinc/63/94/21/896639421.db2.gz JTGVGUJMHCBLHU-UHFFFAOYSA-N 1 2 396.969 3.968 20 30 GHEDLO C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)s1 ZINC000819363255 896639424 /nfs/dbraw/zinc/63/94/24/896639424.db2.gz JTGVGUJMHCBLHU-UHFFFAOYSA-N 1 2 396.969 3.968 20 30 GHEDLO CSc1[nH]c(=O)c(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)cc1C#N ZINC000882948434 897138120 /nfs/dbraw/zinc/13/81/20/897138120.db2.gz UCXNPBVYLZXFKG-UHFFFAOYSA-N 1 2 382.489 3.619 20 30 GHEDLO COc1ccc(C[N@H+](C)CC(=O)N(CCC#N)c2ccc(C)c(C)c2)cc1F ZINC000029065161 898120051 /nfs/dbraw/zinc/12/00/51/898120051.db2.gz FGUMHSGCZODFRA-UHFFFAOYSA-N 1 2 383.467 3.830 20 30 GHEDLO COc1ccc(C[N@@H+](C)CC(=O)N(CCC#N)c2ccc(C)c(C)c2)cc1F ZINC000029065161 898120063 /nfs/dbraw/zinc/12/00/63/898120063.db2.gz FGUMHSGCZODFRA-UHFFFAOYSA-N 1 2 383.467 3.830 20 30 GHEDLO CSc1ccc(CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1C#N ZINC000884062125 898735535 /nfs/dbraw/zinc/73/55/35/898735535.db2.gz HEZCYBLPAQTXNW-UHFFFAOYSA-N 1 2 395.532 3.665 20 30 GHEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(N[C@@H]2CCc3ccc(O)cc3C2)[nH+]1 ZINC001171029652 899236348 /nfs/dbraw/zinc/23/63/48/899236348.db2.gz RMGLCXWHPDWAFC-WWHXKJOCSA-N 1 2 385.533 3.946 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000570635286 899457781 /nfs/dbraw/zinc/45/77/81/899457781.db2.gz AUHHOPNEJYXWJN-LJQANCHMSA-N 1 2 393.447 3.643 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000570635286 899457790 /nfs/dbraw/zinc/45/77/90/899457790.db2.gz AUHHOPNEJYXWJN-LJQANCHMSA-N 1 2 393.447 3.643 20 30 GHEDLO N#Cc1ccc(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1F ZINC000570692385 899512758 /nfs/dbraw/zinc/51/27/58/899512758.db2.gz CVVZOAACUOOXIH-UXHICEINSA-N 1 2 375.407 3.944 20 30 GHEDLO COc1cccc(C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@@H]2CCCO2)c1 ZINC000570848126 899636861 /nfs/dbraw/zinc/63/68/61/899636861.db2.gz KDZSRQGJFNBRLG-FQEVSTJZSA-N 1 2 381.432 3.656 20 30 GHEDLO COc1cccc(C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@@H]2CCCO2)c1 ZINC000570848126 899636867 /nfs/dbraw/zinc/63/68/67/899636867.db2.gz KDZSRQGJFNBRLG-FQEVSTJZSA-N 1 2 381.432 3.656 20 30 GHEDLO CC(C)c1ccc([C@H]2CCC[N@@H+]2CCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000571239957 899794067 /nfs/dbraw/zinc/79/40/67/899794067.db2.gz KFFKBXVWIVHLAZ-HXUWFJFHSA-N 1 2 383.517 3.687 20 30 GHEDLO CC(C)c1ccc([C@H]2CCC[N@H+]2CCS(=O)(=O)c2ccc(C#N)cn2)cc1 ZINC000571239957 899794075 /nfs/dbraw/zinc/79/40/75/899794075.db2.gz KFFKBXVWIVHLAZ-HXUWFJFHSA-N 1 2 383.517 3.687 20 30 GHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1=S ZINC000884483072 900127801 /nfs/dbraw/zinc/12/78/01/900127801.db2.gz NCHBSUJMSHSTEI-RTBURBONSA-N 1 2 384.549 3.649 20 30 GHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1=S ZINC000884483072 900127837 /nfs/dbraw/zinc/12/78/37/900127837.db2.gz NCHBSUJMSHSTEI-RTBURBONSA-N 1 2 384.549 3.649 20 30 GHEDLO CCOC(=O)Cc1csc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccs2)n1 ZINC000026904194 900283049 /nfs/dbraw/zinc/28/30/49/900283049.db2.gz WPMHPIKLYOTAND-ZDUSSCGKSA-N 1 2 379.507 3.735 20 30 GHEDLO CCOC(=O)Cc1csc(NC(=O)C[N@H+]2CCC[C@H]2c2cccs2)n1 ZINC000026904194 900283055 /nfs/dbraw/zinc/28/30/55/900283055.db2.gz WPMHPIKLYOTAND-ZDUSSCGKSA-N 1 2 379.507 3.735 20 30 GHEDLO CC(C)(C)OC(=O)Nc1cc(C[NH+]2CCN(c3ccccc3C#N)CC2)ccn1 ZINC001143683442 900346813 /nfs/dbraw/zinc/34/68/13/900346813.db2.gz HQBOJPXWUJGZOU-UHFFFAOYSA-N 1 2 393.491 3.622 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)[C@]2(C#N)CC23CCCC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000575830191 901352818 /nfs/dbraw/zinc/35/28/18/901352818.db2.gz FRSWJSALMBABQN-SQGPQFPESA-N 1 2 375.875 3.815 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)[C@]2(C#N)CC23CCCC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000575830191 901352825 /nfs/dbraw/zinc/35/28/25/901352825.db2.gz FRSWJSALMBABQN-SQGPQFPESA-N 1 2 375.875 3.815 20 30 GHEDLO N#Cc1ccc(C2CC[NH+](Cc3cc(I)c[nH]3)CC2)cc1 ZINC001144407021 902035297 /nfs/dbraw/zinc/03/52/97/902035297.db2.gz CQIIGNBZZQQDNW-UHFFFAOYSA-N 1 2 391.256 3.871 20 30 GHEDLO Ic1c[nH]c(C[NH+]2CCC(C#Cc3ccccc3)CC2)c1 ZINC001144407510 902037313 /nfs/dbraw/zinc/03/73/13/902037313.db2.gz XKSCHNZTYROTAO-UHFFFAOYSA-N 1 2 390.268 3.883 20 30 GHEDLO C[C@@H](CC(=O)OC[C@@H](C#N)Cc1cccc(Br)c1)n1cc[nH+]c1 ZINC000845536551 902235334 /nfs/dbraw/zinc/23/53/34/902235334.db2.gz XDDDHFCRKIQYPN-DZGCQCFKSA-N 1 2 376.254 3.522 20 30 GHEDLO C=C[C@@H](C)ONC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000845638632 902289744 /nfs/dbraw/zinc/28/97/44/902289744.db2.gz JFUQVMITQYADKV-CQSZACIVSA-N 1 2 380.851 3.784 20 30 GHEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000263646297 902348970 /nfs/dbraw/zinc/34/89/70/902348970.db2.gz BREMOAVXHSQJPN-UHFFFAOYSA-N 1 2 376.464 3.681 20 30 GHEDLO CCCCn1c(SC[C@H](O)c2ccc(C#N)cc2)nnc1[C@@H](CC)[NH+](C)C ZINC000126717304 902356961 /nfs/dbraw/zinc/35/69/61/902356961.db2.gz WDZJWLARLUBCEP-MSOLQXFVSA-N 1 2 387.553 3.788 20 30 GHEDLO C#Cc1ccc(C[N@H+]2Cc3ncn(CC4CC4)c3[C@@H](COCC3CC3)C2)cc1 ZINC001144568773 902398991 /nfs/dbraw/zinc/39/89/91/902398991.db2.gz DXSFXCDWJDBIAK-JOCHJYFZSA-N 1 2 375.516 3.800 20 30 GHEDLO C#Cc1ccc(C[N@@H+]2Cc3ncn(CC4CC4)c3[C@@H](COCC3CC3)C2)cc1 ZINC001144568773 902399003 /nfs/dbraw/zinc/39/90/03/902399003.db2.gz DXSFXCDWJDBIAK-JOCHJYFZSA-N 1 2 375.516 3.800 20 30 GHEDLO N#Cc1ccccc1COc1ccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000263955573 902714983 /nfs/dbraw/zinc/71/49/83/902714983.db2.gz SKEUTVNHOVGWPW-IBGZPJMESA-N 1 2 386.455 3.880 20 30 GHEDLO C[C@H](c1ccccc1)[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)C1CC1 ZINC000264253110 902965744 /nfs/dbraw/zinc/96/57/44/902965744.db2.gz YBTANRLBSGBAAB-BEFAXECRSA-N 1 2 386.455 3.737 20 30 GHEDLO C[C@H](c1ccccc1)[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)C1CC1 ZINC000264253110 902965753 /nfs/dbraw/zinc/96/57/53/902965753.db2.gz YBTANRLBSGBAAB-BEFAXECRSA-N 1 2 386.455 3.737 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH+]1CCC(CC(F)(F)F)CC1 ZINC000578652168 904028526 /nfs/dbraw/zinc/02/85/26/904028526.db2.gz BKIBVLQIVUDFMR-OAHLLOKOSA-N 1 2 397.441 3.995 20 30 GHEDLO COc1ccccc1C[N@H+](CC(=O)Nc1ccccc1SCC#N)C1CC1 ZINC000152955732 904315659 /nfs/dbraw/zinc/31/56/59/904315659.db2.gz NJISUOSWGPVRDW-UHFFFAOYSA-N 1 2 381.501 3.914 20 30 GHEDLO COc1ccccc1C[N@@H+](CC(=O)Nc1ccccc1SCC#N)C1CC1 ZINC000152955732 904315675 /nfs/dbraw/zinc/31/56/75/904315675.db2.gz NJISUOSWGPVRDW-UHFFFAOYSA-N 1 2 381.501 3.914 20 30 GHEDLO COC(=O)C1(c2ccc(Br)cc2)CCC([N@@H+]2CCC[C@H]2C#N)CC1 ZINC001172150853 905391301 /nfs/dbraw/zinc/39/13/01/905391301.db2.gz MVYYYBVTDZNLTI-HFCFLWKCSA-N 1 2 391.309 3.790 20 30 GHEDLO COC(=O)C1(c2ccc(Br)cc2)CCC([N@H+]2CCC[C@H]2C#N)CC1 ZINC001172150853 905391318 /nfs/dbraw/zinc/39/13/18/905391318.db2.gz MVYYYBVTDZNLTI-HFCFLWKCSA-N 1 2 391.309 3.790 20 30 GHEDLO CC(C)[N@H+](CC(=O)c1ccccc1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172988837 906053477 /nfs/dbraw/zinc/05/34/77/906053477.db2.gz DRHIUHWEEMRXKQ-MOPGFXCFSA-N 1 2 385.508 3.871 20 30 GHEDLO CC(C)[N@@H+](CC(=O)c1ccccc1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172988837 906053486 /nfs/dbraw/zinc/05/34/86/906053486.db2.gz DRHIUHWEEMRXKQ-MOPGFXCFSA-N 1 2 385.508 3.871 20 30 GHEDLO CC(=O)c1ccc2c(c1)C[N@H+]([C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)CC2 ZINC001172992170 906103969 /nfs/dbraw/zinc/10/39/69/906103969.db2.gz RMYPJGABNVIGQP-PMACEKPBSA-N 1 2 383.492 3.539 20 30 GHEDLO CC(=O)c1ccc2c(c1)C[N@@H+]([C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)CC2 ZINC001172992170 906103978 /nfs/dbraw/zinc/10/39/78/906103978.db2.gz RMYPJGABNVIGQP-PMACEKPBSA-N 1 2 383.492 3.539 20 30 GHEDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000177730262 906205464 /nfs/dbraw/zinc/20/54/64/906205464.db2.gz BRGXJAQREDFNJR-WHDAMIPWSA-N 1 2 389.908 3.581 20 30 GHEDLO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000177730262 906205485 /nfs/dbraw/zinc/20/54/85/906205485.db2.gz BRGXJAQREDFNJR-WHDAMIPWSA-N 1 2 389.908 3.581 20 30 GHEDLO Cc1ccc2[nH+]c(CSCC(=O)Nc3ccccc3O[C@@H](C)C#N)cn2c1 ZINC000180352647 906753821 /nfs/dbraw/zinc/75/38/21/906753821.db2.gz XSGWXAWKMXMCIQ-HNNXBMFYSA-N 1 2 380.473 3.806 20 30 GHEDLO COc1cc2nc(C[N@H+](Cc3ccc(C#N)cc3)C(C)C)[nH]c(=O)c2cc1OC ZINC000299393881 921307714 /nfs/dbraw/zinc/30/77/14/921307714.db2.gz SJXDAELWRKTSQH-UHFFFAOYSA-N 1 2 392.459 3.635 20 30 GHEDLO COc1cc2nc(C[N@@H+](Cc3ccc(C#N)cc3)C(C)C)[nH]c(=O)c2cc1OC ZINC000299393881 921307715 /nfs/dbraw/zinc/30/77/15/921307715.db2.gz SJXDAELWRKTSQH-UHFFFAOYSA-N 1 2 392.459 3.635 20 30 GHEDLO COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC001175104395 907360592 /nfs/dbraw/zinc/36/05/92/907360592.db2.gz ZBQNSCNYPITGGV-IEBWSBKVSA-N 1 2 387.277 3.637 20 30 GHEDLO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC001175104395 907360605 /nfs/dbraw/zinc/36/06/05/907360605.db2.gz ZBQNSCNYPITGGV-IEBWSBKVSA-N 1 2 387.277 3.637 20 30 GHEDLO Cc1cc(-c2noc([C@H](C)[NH+]3CCN(c4ccc(C#N)cc4)CC3)n2)ccc1F ZINC001175443577 907557748 /nfs/dbraw/zinc/55/77/48/907557748.db2.gz FRFRGHWQKQHETA-INIZCTEOSA-N 1 2 391.450 3.939 20 30 GHEDLO C=CCn1c(-c2ccccc2F)nn(C[N@H+](C[C@@H]2CCOC2)C2CC2)c1=S ZINC000193389799 908323452 /nfs/dbraw/zinc/32/34/52/908323452.db2.gz RZIZAQPZPHIXRZ-HNNXBMFYSA-N 1 2 388.512 3.865 20 30 GHEDLO C=CCn1c(-c2ccccc2F)nn(C[N@@H+](C[C@@H]2CCOC2)C2CC2)c1=S ZINC000193389799 908323469 /nfs/dbraw/zinc/32/34/69/908323469.db2.gz RZIZAQPZPHIXRZ-HNNXBMFYSA-N 1 2 388.512 3.865 20 30 GHEDLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000635578674 909293825 /nfs/dbraw/zinc/29/38/25/909293825.db2.gz XWXAEVVANGPJCP-QMMMGPOBSA-N 1 2 397.241 3.720 20 30 GHEDLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000635646995 909315020 /nfs/dbraw/zinc/31/50/20/909315020.db2.gz RWDCXPHTEREQPN-CQSZACIVSA-N 1 2 389.299 3.563 20 30 GHEDLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N(CCC(F)(F)F)CC(F)(F)F ZINC000635871145 909366843 /nfs/dbraw/zinc/36/68/43/909366843.db2.gz CINNTMDMSYGCPI-MRVPVSSYSA-N 1 2 385.230 3.720 20 30 GHEDLO C[C@@H]1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000268420311 909872625 /nfs/dbraw/zinc/87/26/25/909872625.db2.gz VVTRUGHALFPXQG-WBMJQRKESA-N 1 2 377.370 3.889 20 30 GHEDLO N#CCCCOc1cccc(C[N@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)c1 ZINC000246898899 910743463 /nfs/dbraw/zinc/74/34/63/910743463.db2.gz UIAPLQUGJUTQFR-UYAOXDASSA-N 1 2 386.517 3.755 20 30 GHEDLO N#CCCCOc1cccc(C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)c1 ZINC000246898899 910743478 /nfs/dbraw/zinc/74/34/78/910743478.db2.gz UIAPLQUGJUTQFR-UYAOXDASSA-N 1 2 386.517 3.755 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(OC(F)F)c(OCC)c2)c1 ZINC000092143853 911423705 /nfs/dbraw/zinc/42/37/05/911423705.db2.gz HZQPRYRARGFKBV-UHFFFAOYSA-N 1 2 388.414 3.739 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(OC(F)F)c(OCC)c2)c1 ZINC000092143853 911423717 /nfs/dbraw/zinc/42/37/17/911423717.db2.gz HZQPRYRARGFKBV-UHFFFAOYSA-N 1 2 388.414 3.739 20 30 GHEDLO CCOC(=O)Cn1cc(C[N@@H+]2Cc3ccc(C#N)cc3C2)c(-c2ccccc2)n1 ZINC001182595248 911902661 /nfs/dbraw/zinc/90/26/61/911902661.db2.gz QTLSENIAQOFZBO-UHFFFAOYSA-N 1 2 386.455 3.501 20 30 GHEDLO CCOC(=O)Cn1cc(C[N@H+]2Cc3ccc(C#N)cc3C2)c(-c2ccccc2)n1 ZINC001182595248 911902676 /nfs/dbraw/zinc/90/26/76/911902676.db2.gz QTLSENIAQOFZBO-UHFFFAOYSA-N 1 2 386.455 3.501 20 30 GHEDLO C[C@H](c1nc2ccccc2n1C(F)F)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292074479 915504086 /nfs/dbraw/zinc/50/40/86/915504086.db2.gz CZWIFUMBLRLKNB-UKRRQHHQSA-N 1 2 383.402 3.912 20 30 GHEDLO C[C@H](c1nc2ccccc2n1C(F)F)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292074479 915504088 /nfs/dbraw/zinc/50/40/88/915504088.db2.gz CZWIFUMBLRLKNB-UKRRQHHQSA-N 1 2 383.402 3.912 20 30 GHEDLO N#CCCn1cc(C[NH2+]Cc2ncc(C(F)(F)F)cn2)c(-c2ccccc2)n1 ZINC000295116540 917148891 /nfs/dbraw/zinc/14/88/91/917148891.db2.gz WVAZWPWUGRKHHE-UHFFFAOYSA-N 1 2 386.381 3.562 20 30 GHEDLO N#Cc1ccc(C2=CC[N@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)cc1 ZINC000362424909 917268637 /nfs/dbraw/zinc/26/86/37/917268637.db2.gz MQYSXGPPNLSHRE-UHFFFAOYSA-N 1 2 387.399 3.806 20 30 GHEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)cc1 ZINC000362424909 917268646 /nfs/dbraw/zinc/26/86/46/917268646.db2.gz MQYSXGPPNLSHRE-UHFFFAOYSA-N 1 2 387.399 3.806 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](C[C@@H](O)c3ccc(Cl)c(Cl)c3)CC2)c(F)c1 ZINC001190744215 917541196 /nfs/dbraw/zinc/54/11/96/917541196.db2.gz SLPIKRWCHLPFGT-LJQANCHMSA-N 1 2 394.277 3.860 20 30 GHEDLO CCCCCCCCCCCCNC(=O)N[C@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001191860470 918240896 /nfs/dbraw/zinc/24/08/96/918240896.db2.gz DZFUDBZBTHDFMH-LJQANCHMSA-N 1 2 394.560 3.724 20 30 GHEDLO C=CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2noc(C)n2)CC1)c1ccccc1 ZINC000364714487 919896128 /nfs/dbraw/zinc/89/61/28/919896128.db2.gz IDVNPSPQHLHLMP-PMACEKPBSA-N 1 2 382.508 3.551 20 30 GHEDLO C=CC[C@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2noc(C)n2)CC1)c1ccccc1 ZINC000364714487 919896142 /nfs/dbraw/zinc/89/61/42/919896142.db2.gz IDVNPSPQHLHLMP-PMACEKPBSA-N 1 2 382.508 3.551 20 30 GHEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(F)c(Br)c1 ZINC001275965114 920331083 /nfs/dbraw/zinc/33/10/83/920331083.db2.gz DFSCKFUHRPMNKP-GOSISDBHSA-N 1 2 381.289 3.731 20 30 GHEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(F)c(Br)c1 ZINC001275965114 920331099 /nfs/dbraw/zinc/33/10/99/920331099.db2.gz DFSCKFUHRPMNKP-GOSISDBHSA-N 1 2 381.289 3.731 20 30 GHEDLO CC(C)(C#N)c1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000298496510 920596904 /nfs/dbraw/zinc/59/69/04/920596904.db2.gz KTRCAUXXRUAMAG-UHFFFAOYSA-N 1 2 387.487 3.709 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[C@@H](C(F)(F)F)C3)CC2)cc1 ZINC000298691692 920813003 /nfs/dbraw/zinc/81/30/03/920813003.db2.gz YYEWBLUUCNYVQW-ZWKOTPCHSA-N 1 2 379.426 3.571 20 30 GHEDLO C[C@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367058112 921897956 /nfs/dbraw/zinc/89/79/56/921897956.db2.gz PYAZQZFFJCQXEF-QGZVFWFLSA-N 1 2 385.471 3.514 20 30 GHEDLO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000369752004 923598303 /nfs/dbraw/zinc/59/83/03/923598303.db2.gz CGQCMEKTRLWBGB-LEWJYISDSA-N 1 2 389.503 3.663 20 30 GHEDLO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000369752908 923599797 /nfs/dbraw/zinc/59/97/97/923599797.db2.gz LINODZSTQDXMNK-PKTZIBPZSA-N 1 2 399.498 3.913 20 30 GHEDLO Cc1cccc(NC[C@@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2SCC#N)n1 ZINC000369901822 923728037 /nfs/dbraw/zinc/72/80/37/923728037.db2.gz YRQQIICNFNTCLL-KRWDZBQOSA-N 1 2 395.532 3.521 20 30 GHEDLO Cc1cccc(NC[C@@H]2CCC[N@H+]2CC(=O)Nc2ccccc2SCC#N)n1 ZINC000369901822 923728042 /nfs/dbraw/zinc/72/80/42/923728042.db2.gz YRQQIICNFNTCLL-KRWDZBQOSA-N 1 2 395.532 3.521 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3Cl)CC2)cc1 ZINC000010085735 923812587 /nfs/dbraw/zinc/81/25/87/923812587.db2.gz BMNQEUZSGIWZFY-VQTJNVASSA-N 1 2 379.891 3.660 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)CSc2nc(N)cc(C)[nH+]2)c1C#N ZINC000010323381 924055658 /nfs/dbraw/zinc/05/56/58/924055658.db2.gz ZAJITXYZXDTFJI-UHFFFAOYSA-N 1 2 384.509 3.503 20 30 GHEDLO Cc1ccc(Nc2nc(N)nc(C[NH2+][C@H](CCCC#N)c3ccccc3)n2)cc1 ZINC000411753570 926725404 /nfs/dbraw/zinc/72/54/04/926725404.db2.gz FYEITMBGJBWURF-LJQANCHMSA-N 1 2 387.491 3.861 20 30 GHEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c(Cl)cc(OC)cc1Cl ZINC001276181090 926857594 /nfs/dbraw/zinc/85/75/94/926857594.db2.gz QUAWRAUFZWTJAT-LJQANCHMSA-N 1 2 381.303 3.592 20 30 GHEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c(Cl)cc(OC)cc1Cl ZINC001276181090 926857600 /nfs/dbraw/zinc/85/76/00/926857600.db2.gz QUAWRAUFZWTJAT-LJQANCHMSA-N 1 2 381.303 3.592 20 30 GHEDLO CO[C@@H]1C[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)CC[C@@H]1C ZINC000467302074 928936462 /nfs/dbraw/zinc/93/64/62/928936462.db2.gz DMJYZCQNEYMWTG-MGPUTAFESA-N 1 2 386.540 3.777 20 30 GHEDLO CO[C@@H]1C[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)CC[C@@H]1C ZINC000467302074 928936470 /nfs/dbraw/zinc/93/64/70/928936470.db2.gz DMJYZCQNEYMWTG-MGPUTAFESA-N 1 2 386.540 3.777 20 30 GHEDLO COc1cc(OC)cc(Oc2ccc(C=NNC3=[NH+][C@@H]4CCCC[C@H]4N3)cc2)c1 ZINC000753929759 929597647 /nfs/dbraw/zinc/59/76/47/929597647.db2.gz RWSHAQFQGDCJNB-NHCUHLMSSA-N 1 2 394.475 3.690 20 30 GHEDLO Fc1ccccc1-c1nc2c(s1)C(=NNC1=[NH+][C@H]3CCCC[C@@H]3N1)CCC2 ZINC000753940191 929602928 /nfs/dbraw/zinc/60/29/28/929602928.db2.gz RYYBMVKHMQXXDC-GJZGRUSLSA-N 1 2 383.496 3.850 20 30 GHEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000469446326 929899769 /nfs/dbraw/zinc/89/97/69/929899769.db2.gz NIHSFWNSMVVNEU-QVKFZJNVSA-N 1 2 375.463 3.887 20 30 GHEDLO CC(=[NH+]Nc1cncc(Br)c1)c1ccc(N2CCOCC2)cc1 ZINC000758122995 929932924 /nfs/dbraw/zinc/93/29/24/929932924.db2.gz PPMNTQDYANMNHN-UHFFFAOYSA-N 1 2 375.270 3.517 20 30 GHEDLO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000469637388 930048951 /nfs/dbraw/zinc/04/89/51/930048951.db2.gz KSPAICJYEVGFSZ-AWEZNQCLSA-N 1 2 392.272 3.946 20 30 GHEDLO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cnn(-c3cc(C)cc(C)c3)n2)c1 ZINC000781417033 930835748 /nfs/dbraw/zinc/83/57/48/930835748.db2.gz XUHGWEDEZFGUIR-OAQYLSRUSA-N 1 2 375.476 3.855 20 30 GHEDLO C#CCC[NH+]1CCN(C(=O)c2nc(-c3ccc(Cl)c(Cl)c3)oc2C)CC1 ZINC000781615337 930906597 /nfs/dbraw/zinc/90/65/97/930906597.db2.gz UXGBMDQGYFEMML-UHFFFAOYSA-N 1 2 392.286 3.738 20 30 GHEDLO N#CCCCN1C(=O)CCc2cc(NC(=O)c3cccc(-n4cc[nH+]c4)c3)ccc21 ZINC000470851530 930972389 /nfs/dbraw/zinc/97/23/89/930972389.db2.gz IPXJIJMWAZLVDJ-UHFFFAOYSA-N 1 2 399.454 3.708 20 30 GHEDLO CC(=O)Nc1cccc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c1 ZINC000470995354 931084117 /nfs/dbraw/zinc/08/41/17/931084117.db2.gz OVOCNFINFJSRGA-OAQYLSRUSA-N 1 2 382.895 3.681 20 30 GHEDLO COc1ccccc1OCC[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471013564 931094581 /nfs/dbraw/zinc/09/45/81/931094581.db2.gz FAWRNYMQZRSANR-IBGZPJMESA-N 1 2 385.895 3.610 20 30 GHEDLO COc1ccccc1-c1csc([C@@H]2CCC[N@H+](Cc3ncc(C#N)cn3)C2)n1 ZINC000557260159 931305933 /nfs/dbraw/zinc/30/59/33/931305933.db2.gz XKGVFDFBFRUZMY-MRXNPFEDSA-N 1 2 391.500 3.860 20 30 GHEDLO COc1ccccc1-c1csc([C@@H]2CCC[N@@H+](Cc3ncc(C#N)cn3)C2)n1 ZINC000557260159 931305939 /nfs/dbraw/zinc/30/59/39/931305939.db2.gz XKGVFDFBFRUZMY-MRXNPFEDSA-N 1 2 391.500 3.860 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](CN3C[C@H](c4ccccc4F)CC3=O)CC2)cc1 ZINC000783975485 931736724 /nfs/dbraw/zinc/73/67/24/931736724.db2.gz AITVOSZOUHXTRQ-GOSISDBHSA-N 1 2 393.462 3.514 20 30 GHEDLO C#CCOc1ccccc1[C@H](C)OC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000796694787 932032500 /nfs/dbraw/zinc/03/25/00/932032500.db2.gz YHCINGPSOZDQNB-ZDUSSCGKSA-N 1 2 384.382 3.939 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)/C=C\c2ccccc2C#N)[C@H](C)C1 ZINC000799425127 932999206 /nfs/dbraw/zinc/99/92/06/932999206.db2.gz GRYWUXGJNPQJPR-SYGIOELKSA-N 1 2 389.499 3.703 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)/C=C\c2ccccc2C#N)[C@H](C)C1 ZINC000799425127 932999210 /nfs/dbraw/zinc/99/92/10/932999210.db2.gz GRYWUXGJNPQJPR-SYGIOELKSA-N 1 2 389.499 3.703 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2c[nH]nc2-c2ccc(Cl)cc2)c1 ZINC001116440131 933559251 /nfs/dbraw/zinc/55/92/51/933559251.db2.gz LYFPSRPTCHDLFL-UHFFFAOYSA-N 1 2 378.863 3.782 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2c[nH]nc2-c2ccc(Cl)cc2)c1 ZINC001116440131 933559262 /nfs/dbraw/zinc/55/92/62/933559262.db2.gz LYFPSRPTCHDLFL-UHFFFAOYSA-N 1 2 378.863 3.782 20 30 GHEDLO C=C[C@H](COC)[NH2+][C@@H](C)c1cc(Br)cc(Br)c1O ZINC001116619957 933668385 /nfs/dbraw/zinc/66/83/85/933668385.db2.gz CDPPNZLLKVNLOF-WCBMZHEXSA-N 1 2 379.092 3.769 20 30 GHEDLO C=C[C@@H](COC)[NH2+][C@H](C)c1cc(Br)cc(Br)c1O ZINC001116619956 933668590 /nfs/dbraw/zinc/66/85/90/933668590.db2.gz CDPPNZLLKVNLOF-SCZZXKLOSA-N 1 2 379.092 3.769 20 30 GHEDLO CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N(C)Cc1cccc(C#N)c1 ZINC001121778402 934761413 /nfs/dbraw/zinc/76/14/13/934761413.db2.gz VHTHUVZACVNDHX-LJQANCHMSA-N 1 2 377.496 3.638 20 30 GHEDLO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC(c3cccc(F)c3F)CC2)C1=O ZINC000562304642 934813562 /nfs/dbraw/zinc/81/35/62/934813562.db2.gz MXCGJCDXAJYSSQ-KRWDZBQOSA-N 1 2 387.455 3.883 20 30 GHEDLO C[N@@H+]1CCCC[C@H]1c1nnc(N2CCC[C@@H](CC#N)C2)n1Cc1ccccc1 ZINC001122080818 934817139 /nfs/dbraw/zinc/81/71/39/934817139.db2.gz IDKNZDNQNAFFEL-PMACEKPBSA-N 1 2 378.524 3.613 20 30 GHEDLO C[N@H+]1CCCC[C@H]1c1nnc(N2CCC[C@@H](CC#N)C2)n1Cc1ccccc1 ZINC001122080818 934817141 /nfs/dbraw/zinc/81/71/41/934817141.db2.gz IDKNZDNQNAFFEL-PMACEKPBSA-N 1 2 378.524 3.613 20 30 GHEDLO Cn1c[nH+]cc1C1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC001123408815 935185450 /nfs/dbraw/zinc/18/54/50/935185450.db2.gz YKESVSYHJUETIF-UHFFFAOYSA-N 1 2 377.370 3.722 20 30 GHEDLO C=CCOC[C@@H]1C[N@H+](Cc2cccc3ncccc23)Cc2nnn(CC3CC3)c21 ZINC001137625468 935639727 /nfs/dbraw/zinc/63/97/27/935639727.db2.gz OGPGQZHAQFSABH-IBGZPJMESA-N 1 2 389.503 3.538 20 30 GHEDLO C=CCOC[C@@H]1C[N@@H+](Cc2cccc3ncccc23)Cc2nnn(CC3CC3)c21 ZINC001137625468 935639730 /nfs/dbraw/zinc/63/97/30/935639730.db2.gz OGPGQZHAQFSABH-IBGZPJMESA-N 1 2 389.503 3.538 20 30 GHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CC[C@H](OCC(C)C)C2)c1C#N ZINC000469083691 1016440924 /nfs/dbraw/zinc/44/09/24/1016440924.db2.gz VVADTLZYVNRGHW-FQEVSTJZSA-N 1 2 394.519 3.651 20 30 GHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CC[C@H](OCC(C)C)C2)c1C#N ZINC000469083691 1016440937 /nfs/dbraw/zinc/44/09/37/1016440937.db2.gz VVADTLZYVNRGHW-FQEVSTJZSA-N 1 2 394.519 3.651 20 30 GHEDLO Cc1nc2ccccc2nc1C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471010236 1016939356 /nfs/dbraw/zinc/93/93/56/1016939356.db2.gz XBTIYCKYMQOCIY-JOCHJYFZSA-N 1 2 391.906 3.974 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2ccc(Br)nc2F)C1 ZINC001227611594 1032485204 /nfs/dbraw/zinc/48/52/04/1032485204.db2.gz QZLBCDROOFCAQR-AWEZNQCLSA-N 1 2 376.229 3.508 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2ccc(Br)nc2F)C1 ZINC001227611594 1032485211 /nfs/dbraw/zinc/48/52/11/1032485211.db2.gz QZLBCDROOFCAQR-AWEZNQCLSA-N 1 2 376.229 3.508 20 30 GHEDLO CC(C)(C)c1csc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1C#N ZINC000560667136 1017687180 /nfs/dbraw/zinc/68/71/80/1017687180.db2.gz WXQDXWAPRJPSSD-SFHVURJKSA-N 1 2 383.517 3.757 20 30 GHEDLO CC(C)(C)c1csc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1C#N ZINC000560667136 1017687187 /nfs/dbraw/zinc/68/71/87/1017687187.db2.gz WXQDXWAPRJPSSD-SFHVURJKSA-N 1 2 383.517 3.757 20 30 GHEDLO COC(=O)c1sc2cccc(F)c2c1C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933654335 1018880010 /nfs/dbraw/zinc/88/00/10/1018880010.db2.gz SMLYMUPFYMUTFZ-UHFFFAOYSA-N 1 2 389.448 3.665 20 30 GHEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3ccccc3OC(F)(F)F)C2)CC1 ZINC001204423818 1032854721 /nfs/dbraw/zinc/85/47/21/1032854721.db2.gz MOMTXIVQHDPCIL-UHFFFAOYSA-N 1 2 384.398 3.806 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1c(C)nn(-c2ccccc2)c1C ZINC001204449913 1032892295 /nfs/dbraw/zinc/89/22/95/1032892295.db2.gz YDNVCDSDMCPPPU-JOCHJYFZSA-N 1 2 391.519 3.525 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1c(C)nn(-c2ccccc2)c1C ZINC001204449913 1032892310 /nfs/dbraw/zinc/89/23/10/1032892310.db2.gz YDNVCDSDMCPPPU-JOCHJYFZSA-N 1 2 391.519 3.525 20 30 GHEDLO Cc1ccc2c(c1)c(C[NH+]1CCN(CCC#N)CC1)cn2C(=O)OC(C)(C)C ZINC001140253214 1021230612 /nfs/dbraw/zinc/23/06/12/1021230612.db2.gz JLXWKBGXWGSCLP-UHFFFAOYSA-N 1 2 382.508 3.764 20 30 GHEDLO Cc1cccc(NC(=O)NC2CC[NH+](Cc3cc(F)c(C#N)c(F)c3)CC2)c1 ZINC001140755433 1022445155 /nfs/dbraw/zinc/44/51/55/1022445155.db2.gz FKOKZNSLBVCGJA-UHFFFAOYSA-N 1 2 384.430 3.931 20 30 GHEDLO COc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)c(Br)c1 ZINC001140761428 1022463380 /nfs/dbraw/zinc/46/33/80/1022463380.db2.gz OACKGQQTLDXCBW-UHFFFAOYSA-N 1 2 386.293 3.652 20 30 GHEDLO COc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)cc1OC1CC1 ZINC001204743438 1033059752 /nfs/dbraw/zinc/05/97/52/1033059752.db2.gz HJULKNCAYKCDHX-UHFFFAOYSA-N 1 2 381.451 3.569 20 30 GHEDLO N#Cc1cccc(N2CC[NH+](Cc3ccc(OC(F)(F)F)c(F)c3)CC2)c1 ZINC001140888165 1022803163 /nfs/dbraw/zinc/80/31/63/1022803163.db2.gz NNYZALBEQDRMQX-UHFFFAOYSA-N 1 2 379.357 3.918 20 30 GHEDLO C[C@H](c1ccc(F)cc1)[NH+]1CCN(Cc2sc(N)c(C#N)c2Cl)CC1 ZINC001141116231 1023534490 /nfs/dbraw/zinc/53/44/90/1023534490.db2.gz UWDQYIVSQNLSBR-GFCCVEGCSA-N 1 2 378.904 3.873 20 30 GHEDLO C=C(C)COc1ccccc1C[N@@H+]1Cc2nnn(CC3CC3)c2[C@@H](COCC)C1 ZINC001138662092 1025182499 /nfs/dbraw/zinc/18/24/99/1025182499.db2.gz OMODLEUPWIFBLM-HXUWFJFHSA-N 1 2 396.535 3.779 20 30 GHEDLO C=C(C)COc1ccccc1C[N@H+]1Cc2nnn(CC3CC3)c2[C@@H](COCC)C1 ZINC001138662092 1025182511 /nfs/dbraw/zinc/18/25/11/1025182511.db2.gz OMODLEUPWIFBLM-HXUWFJFHSA-N 1 2 396.535 3.779 20 30 GHEDLO CC[C@H]1C[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000838902712 1025430114 /nfs/dbraw/zinc/43/01/14/1025430114.db2.gz ZDGYGPKSCVAHQA-WMLDXEAASA-N 1 2 388.468 3.592 20 30 GHEDLO CC[C@H]1C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000838902712 1025430120 /nfs/dbraw/zinc/43/01/20/1025430120.db2.gz ZDGYGPKSCVAHQA-WMLDXEAASA-N 1 2 388.468 3.592 20 30 GHEDLO C=CCOC[C@H]1C[N@@H+](Cc2ccccc2OCCC)Cc2nnn(CC3CC3)c21 ZINC001138996652 1025741059 /nfs/dbraw/zinc/74/10/59/1025741059.db2.gz LOLJAGURMLOHAT-HXUWFJFHSA-N 1 2 396.535 3.779 20 30 GHEDLO C=CCOC[C@H]1C[N@H+](Cc2ccccc2OCCC)Cc2nnn(CC3CC3)c21 ZINC001138996652 1025741072 /nfs/dbraw/zinc/74/10/72/1025741072.db2.gz LOLJAGURMLOHAT-HXUWFJFHSA-N 1 2 396.535 3.779 20 30 GHEDLO Cn1cc(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)c2cc(Br)ccc21 ZINC001139215937 1026067690 /nfs/dbraw/zinc/06/76/90/1026067690.db2.gz URVXZTKPOBCQGS-INIZCTEOSA-N 1 2 377.307 3.715 20 30 GHEDLO Cn1cc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)c2cc(Br)ccc21 ZINC001139215937 1026067704 /nfs/dbraw/zinc/06/77/04/1026067704.db2.gz URVXZTKPOBCQGS-INIZCTEOSA-N 1 2 377.307 3.715 20 30 GHEDLO CC(C)(C)OC(=O)N1CC2(CC[N@@H+]2Cc2ccc(-c3cc(C#N)ccn3)cc2)C1 ZINC001139402373 1026273456 /nfs/dbraw/zinc/27/34/56/1026273456.db2.gz PFAWXJNAVCPKRV-UHFFFAOYSA-N 1 2 390.487 3.815 20 30 GHEDLO CC(C)(C)OC(=O)N1CC2(CC[N@H+]2Cc2ccc(-c3cc(C#N)ccn3)cc2)C1 ZINC001139402373 1026273466 /nfs/dbraw/zinc/27/34/66/1026273466.db2.gz PFAWXJNAVCPKRV-UHFFFAOYSA-N 1 2 390.487 3.815 20 30 GHEDLO N#Cc1ccnc(-c2ccc(CN3CC[C@H]([NH+]4CCCC4)C(F)(F)C3)cc2)c1 ZINC001139404556 1026275517 /nfs/dbraw/zinc/27/55/17/1026275517.db2.gz OLKWCTKKXPNQLZ-NRFANRHFSA-N 1 2 382.458 3.926 20 30 GHEDLO ONC(=[NH+]c1ccc(C2N=NC(=S)O2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC001163769188 1026310015 /nfs/dbraw/zinc/31/00/15/1026310015.db2.gz RHHUXVHSOJLNIZ-UHFFFAOYSA-N 1 2 396.350 3.981 20 30 GHEDLO CCOC[C@@H]1C[N@H+](Cc2c[nH]c3ccc(C#N)cc23)Cc2nn(CC3CC3)cc21 ZINC001140112099 1026893471 /nfs/dbraw/zinc/89/34/71/1026893471.db2.gz HVVTUCZDCRRCTG-IBGZPJMESA-N 1 2 389.503 3.782 20 30 GHEDLO CCOC[C@@H]1C[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)Cc2nn(CC3CC3)cc21 ZINC001140112099 1026893476 /nfs/dbraw/zinc/89/34/76/1026893476.db2.gz HVVTUCZDCRRCTG-IBGZPJMESA-N 1 2 389.503 3.782 20 30 GHEDLO N#Cc1ccc2cc[nH+]c(N3CCCC[C@]34CC(=O)N(Cc3cccnc3)C4)c2c1 ZINC001166092127 1026915979 /nfs/dbraw/zinc/91/59/79/1026915979.db2.gz SOGMJFXFMNFKOK-XMMPIXPASA-N 1 2 397.482 3.663 20 30 GHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1=S ZINC000840119707 1027236961 /nfs/dbraw/zinc/23/69/61/1027236961.db2.gz INWSDQORBWYKEW-QRVBRYPASA-N 1 2 399.564 3.635 20 30 GHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1=S ZINC000840119707 1027236984 /nfs/dbraw/zinc/23/69/84/1027236984.db2.gz INWSDQORBWYKEW-QRVBRYPASA-N 1 2 399.564 3.635 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+](C)[C@@H](C)Cc2cccc(F)c2)c1=S ZINC000840166178 1027300619 /nfs/dbraw/zinc/30/06/19/1027300619.db2.gz HKZNCTLGRMFYQG-HNNXBMFYSA-N 1 2 398.511 3.717 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+](C)[C@@H](C)Cc2cccc(F)c2)c1=S ZINC000840166178 1027300638 /nfs/dbraw/zinc/30/06/38/1027300638.db2.gz HKZNCTLGRMFYQG-HNNXBMFYSA-N 1 2 398.511 3.717 20 30 GHEDLO CC(C)(C)OC(=O)C1CCN(c2c(F)c[nH+]cc2Nc2cncc(C#N)c2)CC1 ZINC001210084980 1027337065 /nfs/dbraw/zinc/33/70/65/1027337065.db2.gz BOCJUZCGLQLTNE-UHFFFAOYSA-N 1 2 397.454 3.789 20 30 GHEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCc2ncnc(C3CC3)c2CC1 ZINC001141811870 1027343751 /nfs/dbraw/zinc/34/37/51/1027343751.db2.gz RTAWNYLPBYZOBV-UHFFFAOYSA-N 1 2 383.293 3.589 20 30 GHEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCc2ncnc(C3CC3)c2CC1 ZINC001141811870 1027343772 /nfs/dbraw/zinc/34/37/72/1027343772.db2.gz RTAWNYLPBYZOBV-UHFFFAOYSA-N 1 2 383.293 3.589 20 30 GHEDLO CNc1ccc(Nc2ncc(Br)nc2C#C[Si](C)(C)C)c[nH+]1 ZINC001203449223 1027348167 /nfs/dbraw/zinc/34/81/67/1027348167.db2.gz CPGCSDCMFRMQCL-UHFFFAOYSA-N 1 2 376.334 3.648 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1CCN(c2[nH+]cccc2Nc2ccccc2C#N)C1 ZINC001210739191 1027632418 /nfs/dbraw/zinc/63/24/18/1027632418.db2.gz JJGVARUDQYADLK-MRXNPFEDSA-N 1 2 379.464 3.800 20 30 GHEDLO CSc1nc(C[N@@H+]2CC[C@H](C)N(C(=O)OC(C)(C)C)CC2)ccc1C#N ZINC001141932029 1027691451 /nfs/dbraw/zinc/69/14/51/1027691451.db2.gz QXSXQEIZUVICGW-AWEZNQCLSA-N 1 2 376.526 3.506 20 30 GHEDLO CSc1nc(C[N@H+]2CC[C@H](C)N(C(=O)OC(C)(C)C)CC2)ccc1C#N ZINC001141932029 1027691464 /nfs/dbraw/zinc/69/14/64/1027691464.db2.gz QXSXQEIZUVICGW-AWEZNQCLSA-N 1 2 376.526 3.506 20 30 GHEDLO N#Cc1c(Cl)cccc1Nc1ccc(OCC[NH+]2CCOCC2)cc1F ZINC001213484990 1028218606 /nfs/dbraw/zinc/21/86/06/1028218606.db2.gz MQOBLDITWGRPEY-UHFFFAOYSA-N 1 2 375.831 3.805 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccc(C)c(Cl)c1Cl)C2 ZINC001276717420 1029028792 /nfs/dbraw/zinc/02/87/92/1029028792.db2.gz ASGGMWNHHFVGHM-HXUWFJFHSA-N 1 2 397.346 3.929 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccc(C)c(Cl)c1Cl)C2 ZINC001276717420 1029028802 /nfs/dbraw/zinc/02/88/02/1029028802.db2.gz ASGGMWNHHFVGHM-HXUWFJFHSA-N 1 2 397.346 3.929 20 30 GHEDLO N#CCCCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1csc(Br)c1 ZINC001276742270 1029670853 /nfs/dbraw/zinc/67/08/53/1029670853.db2.gz AXKFRRLBQXAPJN-QGZVFWFLSA-N 1 2 396.354 3.771 20 30 GHEDLO N#CCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1csc(Br)c1 ZINC001276742270 1029670862 /nfs/dbraw/zinc/67/08/62/1029670862.db2.gz AXKFRRLBQXAPJN-QGZVFWFLSA-N 1 2 396.354 3.771 20 30 GHEDLO N#Cc1ccc(F)c(C[NH+]2CCC(c3nc(-c4cccnc4)no3)CC2)c1F ZINC001143170884 1029880671 /nfs/dbraw/zinc/88/06/71/1029880671.db2.gz LLHIPPJJXPNSPM-UHFFFAOYSA-N 1 2 381.386 3.661 20 30 GHEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1ccc(C(F)(F)F)c(OC)c1)CC2 ZINC001143344896 1030055376 /nfs/dbraw/zinc/05/53/76/1030055376.db2.gz MLHIUMWBQXYOQY-UHFFFAOYSA-N 1 2 395.425 3.708 20 30 GHEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1ccc(C(F)(F)F)c(OC)c1)CC2 ZINC001143344896 1030055392 /nfs/dbraw/zinc/05/53/92/1030055392.db2.gz MLHIUMWBQXYOQY-UHFFFAOYSA-N 1 2 395.425 3.708 20 30 GHEDLO C=CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1c(Cl)cc(C)cc1Cl)C2 ZINC001276894905 1030604780 /nfs/dbraw/zinc/60/47/80/1030604780.db2.gz KTRMIPVFMLAQLI-LJQANCHMSA-N 1 2 383.319 3.539 20 30 GHEDLO C=CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1c(Cl)cc(C)cc1Cl)C2 ZINC001276894905 1030604788 /nfs/dbraw/zinc/60/47/88/1030604788.db2.gz KTRMIPVFMLAQLI-LJQANCHMSA-N 1 2 383.319 3.539 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(Cl)cnc1OCC ZINC001276995840 1031113721 /nfs/dbraw/zinc/11/37/21/1031113721.db2.gz BQGGMQOZRPSVCS-HXUWFJFHSA-N 1 2 377.916 3.667 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Cl)cnc1OCC ZINC001276995840 1031113733 /nfs/dbraw/zinc/11/37/33/1031113733.db2.gz BQGGMQOZRPSVCS-HXUWFJFHSA-N 1 2 377.916 3.667 20 30 GHEDLO C=CCOc1ccc(C(=O)Nc2ccc(O[C@H]3CC[NH2+]CC3(F)F)cc2)cc1 ZINC001219460960 1031435014 /nfs/dbraw/zinc/43/50/14/1031435014.db2.gz CAYRQTMMYYVXRE-IBGZPJMESA-N 1 2 388.414 3.880 20 30 GHEDLO CCOC(=O)c1sc(-c2ccc(OC3C[NH+](C(C)C)C3)c(C#N)c2)nc1C ZINC001229532495 1033543122 /nfs/dbraw/zinc/54/31/22/1033543122.db2.gz CFVIQXULVXDAIA-UHFFFAOYSA-N 1 2 385.489 3.638 20 30 GHEDLO CC1=CC(=O)c2c(OC[C@H]3C[N@H+](Cc4ccccc4)CCCO3)cccc2C1=O ZINC001229914278 1033788328 /nfs/dbraw/zinc/78/83/28/1033788328.db2.gz PLRDYYOQGGGUQK-LJQANCHMSA-N 1 2 391.467 3.682 20 30 GHEDLO CC1=CC(=O)c2c(OC[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)cccc2C1=O ZINC001229914278 1033788346 /nfs/dbraw/zinc/78/83/46/1033788346.db2.gz PLRDYYOQGGGUQK-LJQANCHMSA-N 1 2 391.467 3.682 20 30 GHEDLO COCC[C@H](C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1)NC(=O)OC(C)(C)C ZINC001461879614 1069824918 /nfs/dbraw/zinc/82/49/18/1069824918.db2.gz GUWKVYOIUQWYOE-AABGKKOBSA-N 1 2 387.524 3.688 20 30 GHEDLO COCC[C@H](C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1)NC(=O)OC(C)(C)C ZINC001461879614 1069824940 /nfs/dbraw/zinc/82/49/40/1069824940.db2.gz GUWKVYOIUQWYOE-AABGKKOBSA-N 1 2 387.524 3.688 20 30 GHEDLO Cc1nc(Cl)nc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)c1C#N ZINC001158544545 1034139841 /nfs/dbraw/zinc/13/98/41/1034139841.db2.gz BYXNZQLBLDWDEO-OAHLLOKOSA-N 1 2 395.816 3.563 20 30 GHEDLO Cc1nc(Cl)nc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)c1C#N ZINC001158544545 1034139847 /nfs/dbraw/zinc/13/98/47/1034139847.db2.gz BYXNZQLBLDWDEO-OAHLLOKOSA-N 1 2 395.816 3.563 20 30 GHEDLO N#Cc1c(Cl)ccnc1N1CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1 ZINC001158809179 1034280572 /nfs/dbraw/zinc/28/05/72/1034280572.db2.gz QTNQRAJEXCAVIL-UHFFFAOYSA-N 1 2 386.858 3.531 20 30 GHEDLO COc1cc(C#N)ccc1C[NH+]1CCN(c2ccc(F)c(Cl)c2F)CC1 ZINC001231616578 1034774551 /nfs/dbraw/zinc/77/45/51/1034774551.db2.gz HNHVMIZLDIFEDI-UHFFFAOYSA-N 1 2 377.822 3.821 20 30 GHEDLO C=CCOc1cccc(C[N@@H+]2Cc3ncn(CC4CC4)c3[C@H](COCC)C2)c1 ZINC001231621634 1034779541 /nfs/dbraw/zinc/77/95/41/1034779541.db2.gz GIVGOSSNEXJLKY-FQEVSTJZSA-N 1 2 381.520 3.994 20 30 GHEDLO C=CCOc1cccc(C[N@H+]2Cc3ncn(CC4CC4)c3[C@H](COCC)C2)c1 ZINC001231621634 1034779547 /nfs/dbraw/zinc/77/95/47/1034779547.db2.gz GIVGOSSNEXJLKY-FQEVSTJZSA-N 1 2 381.520 3.994 20 30 GHEDLO C=CCOc1cccc(C[N@H+]2Cc3c(cnn3C)[C@H](COc3cccnc3)C2)c1 ZINC001231621867 1034779577 /nfs/dbraw/zinc/77/95/77/1034779577.db2.gz LFIMPJBHZLJJMP-IBGZPJMESA-N 1 2 390.487 3.558 20 30 GHEDLO C=CCOc1cccc(C[N@@H+]2Cc3c(cnn3C)[C@H](COc3cccnc3)C2)c1 ZINC001231621867 1034779592 /nfs/dbraw/zinc/77/95/92/1034779592.db2.gz LFIMPJBHZLJJMP-IBGZPJMESA-N 1 2 390.487 3.558 20 30 GHEDLO COc1cc(C[N@@H+]2CCC[C@H](CC#N)C2)c(Br)cc1OC(C)=O ZINC001231689505 1034839491 /nfs/dbraw/zinc/83/94/91/1034839491.db2.gz WFLPTUHSJFSLCO-CYBMUJFWSA-N 1 2 381.270 3.509 20 30 GHEDLO COc1cc(C[N@H+]2CCC[C@H](CC#N)C2)c(Br)cc1OC(C)=O ZINC001231689505 1034839503 /nfs/dbraw/zinc/83/95/03/1034839503.db2.gz WFLPTUHSJFSLCO-CYBMUJFWSA-N 1 2 381.270 3.509 20 30 GHEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3cnc(C(F)(F)F)cc3Cl)CC2)nc1 ZINC001231903576 1034980399 /nfs/dbraw/zinc/98/03/99/1034980399.db2.gz OMYNTYHUQSIIHX-UHFFFAOYSA-N 1 2 395.816 3.733 20 30 GHEDLO N#Cc1ccc(N2CCC[N@H+](Cc3cnc(C(F)(F)F)cc3Cl)CC2)nc1 ZINC001231903576 1034980405 /nfs/dbraw/zinc/98/04/05/1034980405.db2.gz OMYNTYHUQSIIHX-UHFFFAOYSA-N 1 2 395.816 3.733 20 30 GHEDLO COc1cc(C(F)(F)N[C@@H](C)c2c[nH+]c3c(C)cccn23)c(C#N)c(Cl)n1 ZINC001160686958 1035036347 /nfs/dbraw/zinc/03/63/47/1035036347.db2.gz VFZKZMGDTAIHPX-NSHDSACASA-N 1 2 391.809 3.972 20 30 GHEDLO Cn1nc(C(F)F)c(C[NH+]2CCC(Oc3ccccc3C#N)CC2)c1Cl ZINC001232056502 1035068392 /nfs/dbraw/zinc/06/83/92/1035068392.db2.gz SMTRCRKUTDSVTC-UHFFFAOYSA-N 1 2 380.826 3.926 20 30 GHEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H]2OCCC[C@@]2(COc2ncccc2F)C1 ZINC001232890488 1038674754 /nfs/dbraw/zinc/67/47/54/1038674754.db2.gz GETUQFPEEWSRHQ-IRLDBZIGSA-N 1 2 399.441 3.682 20 30 GHEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H]2OCCC[C@@]2(COc2ncccc2F)C1 ZINC001232890488 1038674761 /nfs/dbraw/zinc/67/47/61/1038674761.db2.gz GETUQFPEEWSRHQ-IRLDBZIGSA-N 1 2 399.441 3.682 20 30 GHEDLO N#Cc1cc[nH]c1C[N@H+](Cc1ccccc1)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC001233049046 1038804485 /nfs/dbraw/zinc/80/44/85/1038804485.db2.gz VYVMUCSNSDIUCR-QFIPXVFZSA-N 1 2 384.483 3.690 20 30 GHEDLO N#Cc1cc[nH]c1C[N@@H+](Cc1ccccc1)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC001233049046 1038804516 /nfs/dbraw/zinc/80/45/16/1038804516.db2.gz VYVMUCSNSDIUCR-QFIPXVFZSA-N 1 2 384.483 3.690 20 30 GHEDLO CCn1ncc2c1C[N@H+](Cc1ccc(C#N)cc1C)C[C@H]2COc1cccnc1 ZINC001233079319 1038846023 /nfs/dbraw/zinc/84/60/23/1038846023.db2.gz BISQSZVGNFKDAA-FQEVSTJZSA-N 1 2 387.487 3.657 20 30 GHEDLO CCn1ncc2c1C[N@@H+](Cc1ccc(C#N)cc1C)C[C@H]2COc1cccnc1 ZINC001233079319 1038846053 /nfs/dbraw/zinc/84/60/53/1038846053.db2.gz BISQSZVGNFKDAA-FQEVSTJZSA-N 1 2 387.487 3.657 20 30 GHEDLO C[C@H]1C[N@H+](Cc2ccc(N(C)C)c(C#N)c2F)CCCN1C(=O)OC(C)(C)C ZINC001233102464 1038882400 /nfs/dbraw/zinc/88/24/00/1038882400.db2.gz AZDNTVSBBZUNRG-HNNXBMFYSA-N 1 2 390.503 3.595 20 30 GHEDLO C[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(C#N)c2F)CCCN1C(=O)OC(C)(C)C ZINC001233102464 1038882418 /nfs/dbraw/zinc/88/24/18/1038882418.db2.gz AZDNTVSBBZUNRG-HNNXBMFYSA-N 1 2 390.503 3.595 20 30 GHEDLO CCCCCCCCCCCCOCCOC[C@@H](O)C[N@@H+]1CCC12COC2 ZINC001253615887 1039726231 /nfs/dbraw/zinc/72/62/31/1039726231.db2.gz OFZYGDICQLXCKH-NRFANRHFSA-N 1 2 385.589 3.776 20 30 GHEDLO CCCCCCCCCCCCOCCOC[C@@H](O)C[N@H+]1CCC12COC2 ZINC001253615887 1039726248 /nfs/dbraw/zinc/72/62/48/1039726248.db2.gz OFZYGDICQLXCKH-NRFANRHFSA-N 1 2 385.589 3.776 20 30 GHEDLO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]Cc1nnc(C)o1 ZINC001253616976 1039728087 /nfs/dbraw/zinc/72/80/87/1039728087.db2.gz KVKMAXXLKYUMJA-FQEVSTJZSA-N 1 2 399.576 3.783 20 30 GHEDLO N#CCCCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(Cl)c(Cl)cc1O ZINC001277831475 1039837928 /nfs/dbraw/zinc/83/79/28/1039837928.db2.gz XJESZTZAFQRMQU-IBGZPJMESA-N 1 2 396.318 3.960 20 30 GHEDLO N#CCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Cl)c(Cl)cc1O ZINC001277831475 1039837950 /nfs/dbraw/zinc/83/79/50/1039837950.db2.gz XJESZTZAFQRMQU-IBGZPJMESA-N 1 2 396.318 3.960 20 30 GHEDLO C=CCO[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC001254558714 1040328538 /nfs/dbraw/zinc/32/85/38/1040328538.db2.gz WIUMUPVOKBFOKI-LJQANCHMSA-N 1 2 384.524 3.697 20 30 GHEDLO C=CCO[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC001254558714 1040328559 /nfs/dbraw/zinc/32/85/59/1040328559.db2.gz WIUMUPVOKBFOKI-LJQANCHMSA-N 1 2 384.524 3.697 20 30 GHEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1nc(Cl)ccc1C(F)(F)F)CC2 ZINC001235230625 1040711490 /nfs/dbraw/zinc/71/14/90/1040711490.db2.gz QADZPAHVLDKHAE-UHFFFAOYSA-N 1 2 387.833 3.897 20 30 GHEDLO N#Cc1cc(F)c(C[NH+]2CCC(Oc3ncnc4ccccc43)CC2)c(F)c1 ZINC001235668379 1041120762 /nfs/dbraw/zinc/12/07/62/1041120762.db2.gz XSHNKPFIQUTKBH-UHFFFAOYSA-N 1 2 380.398 3.823 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(C)c(Br)cn1 ZINC001277982737 1041703722 /nfs/dbraw/zinc/70/37/22/1041703722.db2.gz WNUANYCURHSEPH-IBGZPJMESA-N 1 2 392.341 3.686 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(C)c(Br)cn1 ZINC001277982737 1041703732 /nfs/dbraw/zinc/70/37/32/1041703732.db2.gz WNUANYCURHSEPH-IBGZPJMESA-N 1 2 392.341 3.686 20 30 GHEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1cc(F)cc3c1OCCC3)CCO2 ZINC001236623732 1041788513 /nfs/dbraw/zinc/78/85/13/1041788513.db2.gz RRNCAKDKIHKNHB-DENIHFKCSA-N 1 2 375.484 3.724 20 30 GHEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1cc(F)cc3c1OCCC3)CCO2 ZINC001236623732 1041788520 /nfs/dbraw/zinc/78/85/20/1041788520.db2.gz RRNCAKDKIHKNHB-DENIHFKCSA-N 1 2 375.484 3.724 20 30 GHEDLO C=CCOC[C@@H]1C[N@H+](Cc2cccc3ccoc32)Cc2nnn(CC3CC3)c21 ZINC001236730502 1041862552 /nfs/dbraw/zinc/86/25/52/1041862552.db2.gz GNZAKEXOHRSDJK-IBGZPJMESA-N 1 2 378.476 3.736 20 30 GHEDLO C=CCOC[C@@H]1C[N@@H+](Cc2cccc3ccoc32)Cc2nnn(CC3CC3)c21 ZINC001236730502 1041862559 /nfs/dbraw/zinc/86/25/59/1041862559.db2.gz GNZAKEXOHRSDJK-IBGZPJMESA-N 1 2 378.476 3.736 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(-n4ccnc4)cc3Cl)CC2)c(F)c1 ZINC001236917520 1041957047 /nfs/dbraw/zinc/95/70/47/1041957047.db2.gz HKUIUDYOGFXBTB-UHFFFAOYSA-N 1 2 395.869 3.859 20 30 GHEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2csc(-c3ccc(OC)cc3)n2)C1 ZINC001237337923 1042155480 /nfs/dbraw/zinc/15/54/80/1042155480.db2.gz NKVJPPGKVFLUAI-INIZCTEOSA-N 1 2 387.505 3.695 20 30 GHEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2csc(-c3ccc(OC)cc3)n2)C1 ZINC001237337923 1042155481 /nfs/dbraw/zinc/15/54/81/1042155481.db2.gz NKVJPPGKVFLUAI-INIZCTEOSA-N 1 2 387.505 3.695 20 30 GHEDLO N#Cc1cc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)c(F)cc1F ZINC001237529348 1042252615 /nfs/dbraw/zinc/25/26/15/1042252615.db2.gz ZALYPXFCRMWMLR-IRLDBZIGSA-N 1 2 399.441 3.682 20 30 GHEDLO N#Cc1cc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)c(F)cc1F ZINC001237529348 1042252618 /nfs/dbraw/zinc/25/26/18/1042252618.db2.gz ZALYPXFCRMWMLR-IRLDBZIGSA-N 1 2 399.441 3.682 20 30 GHEDLO N#Cc1cc(C[N@@H+]2CC[C@H]3O[C@H](COCc4cccnc4)CC[C@H]32)c(F)cc1F ZINC001237528079 1042252630 /nfs/dbraw/zinc/25/26/30/1042252630.db2.gz QCNGGOGFTYWDBY-VLCRHTCISA-N 1 2 399.441 3.570 20 30 GHEDLO N#Cc1cc(C[N@H+]2CC[C@H]3O[C@H](COCc4cccnc4)CC[C@H]32)c(F)cc1F ZINC001237528079 1042252634 /nfs/dbraw/zinc/25/26/34/1042252634.db2.gz QCNGGOGFTYWDBY-VLCRHTCISA-N 1 2 399.441 3.570 20 30 GHEDLO COc1cc(C#N)ccc1OC1CC[NH+](Cc2cc(C#N)c(F)cc2F)CC1 ZINC001237530247 1042253277 /nfs/dbraw/zinc/25/32/77/1042253277.db2.gz NFOIZYMEKPSVAM-UHFFFAOYSA-N 1 2 383.398 3.760 20 30 GHEDLO CCCNC(=O)c1ccc(O[C@H]2CC[N@H+](Cc3cc(C#N)c(F)cc3F)C2)cc1 ZINC001237538780 1042255998 /nfs/dbraw/zinc/25/59/98/1042255998.db2.gz VQMSATPAYJKQRE-IBGZPJMESA-N 1 2 399.441 3.630 20 30 GHEDLO CCCNC(=O)c1ccc(O[C@H]2CC[N@@H+](Cc3cc(C#N)c(F)cc3F)C2)cc1 ZINC001237538780 1042256003 /nfs/dbraw/zinc/25/60/03/1042256003.db2.gz VQMSATPAYJKQRE-IBGZPJMESA-N 1 2 399.441 3.630 20 30 GHEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1cc(F)cc(Br)c1F)CC2 ZINC001238073537 1042482271 /nfs/dbraw/zinc/48/22/71/1042482271.db2.gz GFHYZVZFADHPMJ-UHFFFAOYSA-N 1 2 399.279 3.870 20 30 GHEDLO C#C[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(Br)cc1 ZINC001298538296 1045861876 /nfs/dbraw/zinc/86/18/76/1045861876.db2.gz HFSDCAZIIAQVNT-IBGZPJMESA-N 1 2 394.272 3.798 20 30 GHEDLO C=C(C)CN(CC)c1nnc(-c2cccnc2)n1CCCNc1cccc[nH+]1 ZINC001300909053 1046235480 /nfs/dbraw/zinc/23/54/80/1046235480.db2.gz IXWPVHKXUSZTPA-UHFFFAOYSA-N 1 2 377.496 3.640 20 30 GHEDLO C=CCCCn1c(-c2ccccc2C)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001301211396 1046406258 /nfs/dbraw/zinc/40/62/58/1046406258.db2.gz GUQZFASORMDGNX-UHFFFAOYSA-N 1 2 388.519 3.941 20 30 GHEDLO CCc1ccc2c(c1)CCN(c1nnc(C3CC[NH+](CCC#N)CC3)n1CC)C2 ZINC001263025003 1046511415 /nfs/dbraw/zinc/51/14/15/1046511415.db2.gz QNNYDTAYPCXCCE-UHFFFAOYSA-N 1 2 392.551 3.516 20 30 GHEDLO C[C@@H](CC#N)N(C)c1nnc(C2CCC2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001303635923 1047460573 /nfs/dbraw/zinc/46/05/73/1047460573.db2.gz JXFJENJIQKHUON-KRWDZBQOSA-N 1 2 393.539 3.718 20 30 GHEDLO N#CC1(NC(=O)C2=CC3(CC2)CC[NH+](Cc2csc(Cl)n2)CC3)CCC1 ZINC001279855954 1047970784 /nfs/dbraw/zinc/97/07/84/1047970784.db2.gz GOLGWEPFJBPNOS-UHFFFAOYSA-N 1 2 390.940 3.661 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(C3CCCC3)n2C[C@@H](CC)c2ccccc2)CC1 ZINC001286480267 1048336410 /nfs/dbraw/zinc/33/64/10/1048336410.db2.gz UIKPOXMSFBHLMV-HXUWFJFHSA-N 1 2 391.563 3.885 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3)n2CC2CCC(F)(F)CC2)CC1 ZINC001286476064 1048336670 /nfs/dbraw/zinc/33/66/70/1048336670.db2.gz MUWZZLWWTGNZDC-UHFFFAOYSA-N 1 2 399.489 3.526 20 30 GHEDLO C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001286667169 1048433202 /nfs/dbraw/zinc/43/32/02/1048433202.db2.gz PPYCNPDULBJPNZ-KRWDZBQOSA-N 1 2 397.571 3.819 20 30 GHEDLO C=CCN(c1nnc([C@H]2CCCOC2)n1CCCc1cccc(C)[nH+]1)C1CC1 ZINC001286738538 1048496906 /nfs/dbraw/zinc/49/69/06/1048496906.db2.gz WIRHDGRTTPEPDC-SFHVURJKSA-N 1 2 381.524 3.663 20 30 GHEDLO Cc1nc(N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c(Cl)cc1C#N ZINC001306913601 1048957626 /nfs/dbraw/zinc/95/76/26/1048957626.db2.gz FKOOSCJMKAVPII-UHFFFAOYSA-N 1 2 391.302 3.770 20 30 GHEDLO N#Cc1ccc(C[N@@H+](CC[S@](=O)C(F)(F)F)Cc2cccc(F)c2)cc1 ZINC001307534474 1049379415 /nfs/dbraw/zinc/37/94/15/1049379415.db2.gz AYFKWSOITCMXBX-SANMLTNESA-N 1 2 384.398 3.968 20 30 GHEDLO N#Cc1ccc(C[N@H+](CC[S@](=O)C(F)(F)F)Cc2cccc(F)c2)cc1 ZINC001307534474 1049379427 /nfs/dbraw/zinc/37/94/27/1049379427.db2.gz AYFKWSOITCMXBX-SANMLTNESA-N 1 2 384.398 3.968 20 30 GHEDLO C#C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C1 ZINC001307878413 1049660979 /nfs/dbraw/zinc/66/09/79/1049660979.db2.gz SVTCHKXYDBSHET-CHWSQXEVSA-N 1 2 375.444 3.761 20 30 GHEDLO C#C[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C1 ZINC001307878413 1049660984 /nfs/dbraw/zinc/66/09/84/1049660984.db2.gz SVTCHKXYDBSHET-CHWSQXEVSA-N 1 2 375.444 3.761 20 30 GHEDLO C=CC[C@@H]1CC[N@H+]1[C@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 ZINC001308141062 1049880214 /nfs/dbraw/zinc/88/02/14/1049880214.db2.gz OYISHLMQWHGBPV-ZIAGYGMSSA-N 1 2 376.522 3.781 20 30 GHEDLO C=CC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 ZINC001308141062 1049880218 /nfs/dbraw/zinc/88/02/18/1049880218.db2.gz OYISHLMQWHGBPV-ZIAGYGMSSA-N 1 2 376.522 3.781 20 30 GHEDLO C=CCn1cc2ccc(NC(=O)N(C)Cc3[nH+]cc(C)c(OC)c3C)cc2n1 ZINC001311237667 1051958908 /nfs/dbraw/zinc/95/89/08/1051958908.db2.gz LZABFJKQFIXHBX-UHFFFAOYSA-N 1 2 379.464 3.907 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC([C@@H]2CCCCO2)CC1 ZINC001342330507 1053111009 /nfs/dbraw/zinc/11/10/09/1053111009.db2.gz UMPHJDRRSPIWQE-UXHICEINSA-N 1 2 387.572 3.797 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC([C@@H]2CCCCO2)CC1 ZINC001342330507 1053111015 /nfs/dbraw/zinc/11/10/15/1053111015.db2.gz UMPHJDRRSPIWQE-UXHICEINSA-N 1 2 387.572 3.797 20 30 GHEDLO C=C(C)Cn1c([C@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1Cc2ccccc2[C@H]1C ZINC001342343456 1053118533 /nfs/dbraw/zinc/11/85/33/1053118533.db2.gz KPGPYTCXFQNBDT-SLYNCCJLSA-N 1 2 393.535 3.861 20 30 GHEDLO C=C(C)Cn1c([C@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1Cc2ccccc2[C@H]1C ZINC001342343456 1053118537 /nfs/dbraw/zinc/11/85/37/1053118537.db2.gz KPGPYTCXFQNBDT-SLYNCCJLSA-N 1 2 393.535 3.861 20 30 GHEDLO CC(C)[N@@H+]1CCC[C@@H]1C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC001343495537 1053810302 /nfs/dbraw/zinc/81/03/02/1053810302.db2.gz PMQRIOPXMKIEFT-HUUCEWRRSA-N 1 2 381.448 3.521 20 30 GHEDLO CC(C)[N@H+]1CCC[C@@H]1C(=O)[C@@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC001343495537 1053810319 /nfs/dbraw/zinc/81/03/19/1053810319.db2.gz PMQRIOPXMKIEFT-HUUCEWRRSA-N 1 2 381.448 3.521 20 30 GHEDLO COc1cc[nH+]cc1Cn1c(C2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001315673183 1053909025 /nfs/dbraw/zinc/90/90/25/1053909025.db2.gz ZEPZMYGHVCNVRW-NRFANRHFSA-N 1 2 380.496 3.518 20 30 GHEDLO C=C1CCN(c2nnc([C@@H](C)[N@H+](C)Cc3ccccc3)n2C[C@@H]2CCCO2)CC1 ZINC001343833600 1054055874 /nfs/dbraw/zinc/05/58/74/1054055874.db2.gz IHOFQZBIOIXQGR-CTNGQTDRSA-N 1 2 395.551 3.807 20 30 GHEDLO C=C1CCN(c2nnc([C@@H](C)[N@@H+](C)Cc3ccccc3)n2C[C@@H]2CCCO2)CC1 ZINC001343833600 1054055884 /nfs/dbraw/zinc/05/58/84/1054055884.db2.gz IHOFQZBIOIXQGR-CTNGQTDRSA-N 1 2 395.551 3.807 20 30 GHEDLO C=C(C)Cn1c([C@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCCC2(CC2)CC1 ZINC001343947569 1054136146 /nfs/dbraw/zinc/13/61/46/1054136146.db2.gz PSAWGVGZKOCUAW-RBUKOAKNSA-N 1 2 385.556 3.551 20 30 GHEDLO C=C(C)Cn1c([C@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCCC2(CC2)CC1 ZINC001343947569 1054136156 /nfs/dbraw/zinc/13/61/56/1054136156.db2.gz PSAWGVGZKOCUAW-RBUKOAKNSA-N 1 2 385.556 3.551 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC([C@@H]3c4ccccc4NC3=O)CC2)c1C ZINC001319042225 1055006717 /nfs/dbraw/zinc/00/67/17/1055006717.db2.gz VIRJXLUDBHDJSJ-HSZRJFAPSA-N 1 2 391.515 3.922 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCCC)CC1 ZINC001300689473 1056881013 /nfs/dbraw/zinc/88/10/13/1056881013.db2.gz VWGZYLCFFRETKS-UHFFFAOYSA-N 1 2 397.592 3.831 20 30 GHEDLO Cc1ccc(S(=O)(=O)c2ccc(N[NH+]=Cc3cccnc3N(C)C)cc2)cc1 ZINC001323617807 1056991609 /nfs/dbraw/zinc/99/16/09/1056991609.db2.gz JFOUIPCTMDEMFW-UHFFFAOYSA-N 1 2 394.500 3.735 20 30 GHEDLO CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H]1CCCC1=NNCCCn1cc[nH+]c1 ZINC000848416790 1057074786 /nfs/dbraw/zinc/07/47/86/1057074786.db2.gz YKKNPJQKIRUUSO-PKOBYXMFSA-N 1 2 389.544 3.809 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c(C#N)c1C ZINC001324284885 1057104516 /nfs/dbraw/zinc/10/45/16/1057104516.db2.gz HJDBNGNBEDIISQ-GDBMZVCRSA-N 1 2 391.475 3.851 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c(C#N)c1C ZINC001324284885 1057104521 /nfs/dbraw/zinc/10/45/21/1057104521.db2.gz HJDBNGNBEDIISQ-GDBMZVCRSA-N 1 2 391.475 3.851 20 30 GHEDLO N#Cc1cc(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cs1 ZINC001324415409 1057128583 /nfs/dbraw/zinc/12/85/83/1057128583.db2.gz OJRCSXRNQDXFLF-UHFFFAOYSA-N 1 2 379.407 3.597 20 30 GHEDLO Cn1c([C@@H]2CCCC[N@@H+]2Cc2ccccc2)nnc1N1CCC[C@@H](CC#N)C1 ZINC001355552881 1057210372 /nfs/dbraw/zinc/21/03/72/1057210372.db2.gz ISYYWSGJHCBBBV-PMACEKPBSA-N 1 2 378.524 3.672 20 30 GHEDLO Cn1c([C@@H]2CCCC[N@H+]2Cc2ccccc2)nnc1N1CCC[C@@H](CC#N)C1 ZINC001355552881 1057210375 /nfs/dbraw/zinc/21/03/75/1057210375.db2.gz ISYYWSGJHCBBBV-PMACEKPBSA-N 1 2 378.524 3.672 20 30 GHEDLO CCC[N@H+](CC)Cc1ccc(C(O)=C(C#N)c2nc(N)c3ccccc3n2)cc1 ZINC001356088780 1057384846 /nfs/dbraw/zinc/38/48/46/1057384846.db2.gz UGLPEURNVKBXAL-IBGZPJMESA-N 1 2 387.487 3.934 20 30 GHEDLO CCC[N@@H+](CC)Cc1ccc(C(O)=C(C#N)c2nc(N)c3ccccc3n2)cc1 ZINC001356088780 1057384851 /nfs/dbraw/zinc/38/48/51/1057384851.db2.gz UGLPEURNVKBXAL-IBGZPJMESA-N 1 2 387.487 3.934 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC[C@@H](OC)C1 ZINC001356200746 1057426846 /nfs/dbraw/zinc/42/68/46/1057426846.db2.gz XCVMCYSMNQSLOO-AZUAARDMSA-N 1 2 383.540 3.662 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC[C@@H](OC)C1 ZINC001356200746 1057426848 /nfs/dbraw/zinc/42/68/48/1057426848.db2.gz XCVMCYSMNQSLOO-AZUAARDMSA-N 1 2 383.540 3.662 20 30 GHEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1C[C@@H]2CC[C@H]1c1ccccc12 ZINC001338693164 1058734665 /nfs/dbraw/zinc/73/46/65/1058734665.db2.gz KPXSZAGMQGYJHY-YYWHXJBOSA-N 1 2 393.535 3.685 20 30 GHEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1C[C@@H]2CC[C@H]1c1ccccc12 ZINC001338693164 1058734677 /nfs/dbraw/zinc/73/46/77/1058734677.db2.gz KPXSZAGMQGYJHY-YYWHXJBOSA-N 1 2 393.535 3.685 20 30 GHEDLO C=C[C@@H](C(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC001443096062 1059061797 /nfs/dbraw/zinc/06/17/97/1059061797.db2.gz ZHLUUSNBZGCFSN-NFBKMPQASA-N 1 2 378.516 3.706 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC001339528102 1059279628 /nfs/dbraw/zinc/27/96/28/1059279628.db2.gz CEYOQHKJFCBIJJ-YZGWKJHDSA-N 1 2 381.524 3.587 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC001339528102 1059279646 /nfs/dbraw/zinc/27/96/46/1059279646.db2.gz CEYOQHKJFCBIJJ-YZGWKJHDSA-N 1 2 381.524 3.587 20 30 GHEDLO CCN(Cc1ccc(Cl)cc1)c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001339627192 1059356265 /nfs/dbraw/zinc/35/62/65/1059356265.db2.gz GCQGRVXLXMNYHT-UHFFFAOYSA-N 1 2 386.931 3.588 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC(c2ccco2)CC1 ZINC001339777586 1059463349 /nfs/dbraw/zinc/46/33/49/1059463349.db2.gz RYENPEOHJVVDDP-UHFFFAOYSA-N 1 2 394.523 3.534 20 30 GHEDLO C=CC[C@@H]1CCCN(c2nnc([C@@H](CC(C)C)n3cc[nH+]c3)n2CCOC)C1 ZINC001341575475 1060753992 /nfs/dbraw/zinc/75/39/92/1060753992.db2.gz VMCVFKLJBHEDQU-RTBURBONSA-N 1 2 386.544 3.549 20 30 GHEDLO C[C@H]1CCCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2Cc2ccccc2)C1 ZINC001342265580 1061187704 /nfs/dbraw/zinc/18/77/04/1061187704.db2.gz OGRJUJUSRIXWKY-IBGZPJMESA-N 1 2 392.551 3.656 20 30 GHEDLO C[C@H]1CCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2Cc2cccs2)[C@H]1C ZINC001345970908 1061252221 /nfs/dbraw/zinc/25/22/21/1061252221.db2.gz WRWXBOXXSBYISZ-IRXDYDNUSA-N 1 2 398.580 3.716 20 30 GHEDLO Cc1nnc(N2CCC(C)(C#N)CC2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001492799550 1061934436 /nfs/dbraw/zinc/93/44/36/1061934436.db2.gz HRXAREFFLAXZHB-UHFFFAOYSA-N 1 2 393.539 3.540 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2Cc2ccccc2)nnc1N1CCC[C@@H]1CC ZINC001352093830 1064831467 /nfs/dbraw/zinc/83/14/67/1064831467.db2.gz PFEIXTULCOGJAD-IBGZPJMESA-N 1 2 376.508 3.679 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@H]1Cc1ccccc1 ZINC001352495412 1065080969 /nfs/dbraw/zinc/08/09/69/1065080969.db2.gz RXHXLMDSWDACNB-NRFANRHFSA-N 1 2 392.551 3.603 20 30 GHEDLO N#Cc1cccc([C@@H]2CN(C(=O)[C@H]3CC[C@@H](Nc4cccc[nH+]4)CC3)CCO2)c1 ZINC001466608846 1066210136 /nfs/dbraw/zinc/21/01/36/1066210136.db2.gz GKVCSQNRNQXUJY-TYPHKJRUSA-N 1 2 390.487 3.524 20 30 GHEDLO C#C[C@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1CCc1cn2ccccc2[nH+]1 ZINC001358879497 1067591785 /nfs/dbraw/zinc/59/17/85/1067591785.db2.gz SELSZANQCYSVLJ-SFHVURJKSA-N 1 2 398.514 3.856 20 30 GHEDLO C#CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCCc2ccccc21 ZINC001460837374 1069211637 /nfs/dbraw/zinc/21/16/37/1069211637.db2.gz OVIZORMZAHCPPQ-OAQYLSRUSA-N 1 2 377.444 3.855 20 30 GHEDLO C#CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCCc2ccccc21 ZINC001460837374 1069211643 /nfs/dbraw/zinc/21/16/43/1069211643.db2.gz OVIZORMZAHCPPQ-OAQYLSRUSA-N 1 2 377.444 3.855 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCO[C@H](c2ccccc2)CC1 ZINC001460952030 1069294134 /nfs/dbraw/zinc/29/41/34/1069294134.db2.gz SLNWBPGPBARKII-KXBFYZLASA-N 1 2 395.528 3.899 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCO[C@H](c2ccccc2)CC1 ZINC001460952030 1069294146 /nfs/dbraw/zinc/29/41/46/1069294146.db2.gz SLNWBPGPBARKII-KXBFYZLASA-N 1 2 395.528 3.899 20 30 GHEDLO C=CCOc1ccc(CNC(=O)N2CC[NH+](Cc3ccc(CC)s3)CC2)cc1 ZINC001478616158 1078935735 /nfs/dbraw/zinc/93/57/35/1078935735.db2.gz UYXVVNIHICFOMN-UHFFFAOYSA-N 1 2 399.560 3.903 20 30 GHEDLO Cc1ccc([C@H](CNc2ncc(C#N)c3ccsc32)[NH+]2CCOCC2)cc1 ZINC001472663757 1073604169 /nfs/dbraw/zinc/60/41/69/1073604169.db2.gz HHAHLWIZKDPOQE-IBGZPJMESA-N 1 2 378.501 3.962 20 30 GHEDLO Cc1nc(NC(=O)[C@H](C)[NH+]2CCC(Nc3ccccc3C#N)CC2)sc1C ZINC001473683809 1074085159 /nfs/dbraw/zinc/08/51/59/1074085159.db2.gz UPKKXVJPGUYGHR-AWEZNQCLSA-N 1 2 383.521 3.535 20 30 GHEDLO CN(C)C(=O)Sc1cccc(C[NH+]2CCN(c3ccc(F)cc3C#N)CC2)c1 ZINC001473725989 1074109997 /nfs/dbraw/zinc/10/99/97/1074109997.db2.gz PAEYENNBHDJZAX-UHFFFAOYSA-N 1 2 398.507 3.793 20 30 GHEDLO Cc1ccc(-c2noc([C@H](C)[NH+]3CCN(c4ccc(C#N)cc4)CC3)n2)cc1F ZINC001473726079 1074110123 /nfs/dbraw/zinc/11/01/23/1074110123.db2.gz RBGBEXIDDQZIPH-INIZCTEOSA-N 1 2 391.450 3.939 20 30 GHEDLO CC[C@@]1(C(=O)OC(C)(C)C)CCC[N@@H+]([C@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC001473847249 1074172842 /nfs/dbraw/zinc/17/28/42/1074172842.db2.gz FSFIWKBPPMXYKG-PGRDOPGGSA-N 1 2 386.492 3.606 20 30 GHEDLO CC[C@@]1(C(=O)OC(C)(C)C)CCC[N@H+]([C@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC001473847249 1074172844 /nfs/dbraw/zinc/17/28/44/1074172844.db2.gz FSFIWKBPPMXYKG-PGRDOPGGSA-N 1 2 386.492 3.606 20 30 GHEDLO C=CCCn1cc(C[NH2+]Cc2cccc(NC(=O)c3cccc(F)c3)c2)nn1 ZINC001473947984 1074215050 /nfs/dbraw/zinc/21/50/50/1074215050.db2.gz FAFWFFZFMIGWOJ-UHFFFAOYSA-N 1 2 379.439 3.535 20 30 GHEDLO CC[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1c[nH+]ccc1OC ZINC001495999075 1079445328 /nfs/dbraw/zinc/44/53/28/1079445328.db2.gz VYWKMRNERVWPLZ-MRXNPFEDSA-N 1 2 390.491 3.751 20 30 GHEDLO C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000548798524 834499893 /nfs/dbraw/zinc/49/98/93/834499893.db2.gz CNHLZILYOOWUSU-RBUKOAKNSA-N 1 2 388.515 3.695 20 30 GHEDLO COc1cc(C[N@@H+]2CCOCC23CCC3)ccc1OCc1cccc(C#N)c1 ZINC000135548414 834675040 /nfs/dbraw/zinc/67/50/40/834675040.db2.gz NRQNMGDLGPWVMJ-UHFFFAOYSA-N 1 2 378.472 3.901 20 30 GHEDLO COc1cc(C[N@H+]2CCOCC23CCC3)ccc1OCc1cccc(C#N)c1 ZINC000135548414 834675044 /nfs/dbraw/zinc/67/50/44/834675044.db2.gz NRQNMGDLGPWVMJ-UHFFFAOYSA-N 1 2 378.472 3.901 20 30 GHEDLO O=C(NCC#Cc1ccccc1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000430189322 834877947 /nfs/dbraw/zinc/87/79/47/834877947.db2.gz WYXVDVUARUXARO-UHFFFAOYSA-N 1 2 392.890 3.800 20 30 GHEDLO C=CCN(C(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1)c1nc2c(s1)CCCC2 ZINC000471136881 834898522 /nfs/dbraw/zinc/89/85/22/834898522.db2.gz MOOHBBKKCTYIKC-MRXNPFEDSA-N 1 2 381.545 3.988 20 30 GHEDLO C=CCN(C(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1)c1nc2c(s1)CCCC2 ZINC000471136881 834898533 /nfs/dbraw/zinc/89/85/33/834898533.db2.gz MOOHBBKKCTYIKC-MRXNPFEDSA-N 1 2 381.545 3.988 20 30 GHEDLO C=CCN(C(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)c1nc2c(s1)CCCC2 ZINC000471136880 834899023 /nfs/dbraw/zinc/89/90/23/834899023.db2.gz MOOHBBKKCTYIKC-INIZCTEOSA-N 1 2 381.545 3.988 20 30 GHEDLO C=CCN(C(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)c1nc2c(s1)CCCC2 ZINC000471136880 834899038 /nfs/dbraw/zinc/89/90/38/834899038.db2.gz MOOHBBKKCTYIKC-INIZCTEOSA-N 1 2 381.545 3.988 20 30 GHEDLO N#Cc1cccc(CNC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)c1 ZINC000430204577 835051360 /nfs/dbraw/zinc/05/13/60/835051360.db2.gz LGOHIZSOKGLGAY-UHFFFAOYSA-N 1 2 393.878 3.820 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000431593861 835065397 /nfs/dbraw/zinc/06/53/97/835065397.db2.gz ABAXFTOHTXNKSP-WMZOPIPTSA-N 1 2 396.516 3.568 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000431593861 835065403 /nfs/dbraw/zinc/06/54/03/835065403.db2.gz ABAXFTOHTXNKSP-WMZOPIPTSA-N 1 2 396.516 3.568 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC000548845008 835150027 /nfs/dbraw/zinc/15/00/27/835150027.db2.gz VIMDIDDUWYTKHQ-INIZCTEOSA-N 1 2 397.906 3.957 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC000548845008 835150032 /nfs/dbraw/zinc/15/00/32/835150032.db2.gz VIMDIDDUWYTKHQ-INIZCTEOSA-N 1 2 397.906 3.957 20 30 GHEDLO C=CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000548851010 835285053 /nfs/dbraw/zinc/28/50/53/835285053.db2.gz LRZPKVGALFHLPD-UHFFFAOYSA-N 1 2 380.883 3.506 20 30 GHEDLO N#Cc1ccccc1COc1ccc(C(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000136194473 835327855 /nfs/dbraw/zinc/32/78/55/835327855.db2.gz YXRGORNJPKGNGR-UHFFFAOYSA-N 1 2 386.455 3.764 20 30 GHEDLO N#Cc1ccc(C2(c3nc(-c4cccc(C[NH+]5CCOCC5)c4)no3)CC2)cc1 ZINC000188013443 835352712 /nfs/dbraw/zinc/35/27/12/835352712.db2.gz YCFDYYIEZSLPBD-UHFFFAOYSA-N 1 2 386.455 3.520 20 30 GHEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2cc(C#N)c3ccccc3n2)CC1 ZINC000329635427 835473537 /nfs/dbraw/zinc/47/35/37/835473537.db2.gz XVVWNIGFFDEKGH-MRXNPFEDSA-N 1 2 377.492 3.516 20 30 GHEDLO CON=Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000255583635 835519619 /nfs/dbraw/zinc/51/96/19/835519619.db2.gz RWWSNCFRNOYGJU-MOPGFXCFSA-N 1 2 389.858 3.635 20 30 GHEDLO CON=Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000255583635 835519621 /nfs/dbraw/zinc/51/96/21/835519621.db2.gz RWWSNCFRNOYGJU-MOPGFXCFSA-N 1 2 389.858 3.635 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)[C@@H](C#N)CCc2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000433384665 844094061 /nfs/dbraw/zinc/09/40/61/844094061.db2.gz WPEJNXKQQPKLPY-QMMLZNLJSA-N 1 2 383.442 3.599 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)[C@@H](C#N)CCc2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000433384665 844094072 /nfs/dbraw/zinc/09/40/72/844094072.db2.gz WPEJNXKQQPKLPY-QMMLZNLJSA-N 1 2 383.442 3.599 20 30 GHEDLO N#Cc1ccc(Nc2cccc(C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)c2)cc1 ZINC000120597605 835843441 /nfs/dbraw/zinc/84/34/41/835843441.db2.gz HXQCDFGPYBRHRY-JOCHJYFZSA-N 1 2 384.439 3.990 20 30 GHEDLO CC(C)(C)OC(=O)C1CCN(c2ccc(C[N@H+](CCC#N)CC3CC3)o2)CC1 ZINC000891937699 844120546 /nfs/dbraw/zinc/12/05/46/844120546.db2.gz PHQAUWSWIHDZHP-UHFFFAOYSA-N 1 2 387.524 3.963 20 30 GHEDLO CC(C)(C)OC(=O)C1CCN(c2ccc(C[N@@H+](CCC#N)CC3CC3)o2)CC1 ZINC000891937699 844120550 /nfs/dbraw/zinc/12/05/50/844120550.db2.gz PHQAUWSWIHDZHP-UHFFFAOYSA-N 1 2 387.524 3.963 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)c1C#N ZINC000613384177 836262431 /nfs/dbraw/zinc/26/24/31/836262431.db2.gz ASUNHYDTYPOZSG-SFHVURJKSA-N 1 2 380.492 3.606 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)c1C#N ZINC000613384177 836262440 /nfs/dbraw/zinc/26/24/40/836262440.db2.gz ASUNHYDTYPOZSG-SFHVURJKSA-N 1 2 380.492 3.606 20 30 GHEDLO C[C@H](c1nnc(Sc2cnc(C#N)cn2)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000547789276 836528113 /nfs/dbraw/zinc/52/81/13/836528113.db2.gz NZBVBPVZAVDOSH-OAHLLOKOSA-N 1 2 391.504 3.627 20 30 GHEDLO Cc1ccccc1CC(=O)N1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000092733358 844178695 /nfs/dbraw/zinc/17/86/95/844178695.db2.gz GTFOXCCBCXLFKV-UHFFFAOYSA-N 1 2 391.515 3.565 20 30 GHEDLO Cn1c[nH+]cc1CCC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000188678038 837089888 /nfs/dbraw/zinc/08/98/88/837089888.db2.gz KEJIAXQFEGOWMO-UHFFFAOYSA-N 1 2 376.435 3.592 20 30 GHEDLO C[C@@H]([NH2+][C@@H](C)c1nc2c(s1)CCC2)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000578962917 838254235 /nfs/dbraw/zinc/25/42/35/838254235.db2.gz MZBGUHAIPSSEGG-MNOVXSKESA-N 1 2 386.546 3.731 20 30 GHEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)CSCc1ccc(C#N)cc1)c1ccccc1 ZINC000610304249 838268625 /nfs/dbraw/zinc/26/86/25/838268625.db2.gz PYBXSKLYNULTPL-HXUWFJFHSA-N 1 2 390.512 3.625 20 30 GHEDLO Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000376596774 838424859 /nfs/dbraw/zinc/42/48/59/838424859.db2.gz WWOCXLABNRFZJR-INIZCTEOSA-N 1 2 382.895 3.928 20 30 GHEDLO C=C(C)CN(Cc1ccccc1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000471495207 838532052 /nfs/dbraw/zinc/53/20/52/838532052.db2.gz FJSBGYITJATGRN-HSZRJFAPSA-N 1 2 393.531 3.675 20 30 GHEDLO C=C(C)CN(Cc1ccccc1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000471495207 838532061 /nfs/dbraw/zinc/53/20/61/838532061.db2.gz FJSBGYITJATGRN-HSZRJFAPSA-N 1 2 393.531 3.675 20 30 GHEDLO N#Cc1ccc(C2(C(=O)NCc3cccc(Cn4cc[nH+]c4)c3)CCCC2)cc1 ZINC001125407313 838571533 /nfs/dbraw/zinc/57/15/33/838571533.db2.gz BWOYFMGTHIWVNZ-UHFFFAOYSA-N 1 2 384.483 3.931 20 30 GHEDLO COc1ccc(-c2noc([C@H](C)[NH+]3CCC(C#N)(c4ccccn4)CC3)n2)cc1 ZINC000376737082 838673130 /nfs/dbraw/zinc/67/31/30/838673130.db2.gz OLOJNTNYVNDMRP-INIZCTEOSA-N 1 2 389.459 3.759 20 30 GHEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000378278020 838751019 /nfs/dbraw/zinc/75/10/19/838751019.db2.gz SJBURCLZWDCEPY-INIZCTEOSA-N 1 2 384.439 3.879 20 30 GHEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1ccccc1 ZINC000610405981 839116909 /nfs/dbraw/zinc/11/69/09/839116909.db2.gz NIQWINBCEDTBDZ-JOCHJYFZSA-N 1 2 399.498 3.950 20 30 GHEDLO CCCCc1noc([C@H](C)O[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)n1 ZINC000174131401 839464023 /nfs/dbraw/zinc/46/40/23/839464023.db2.gz AHDIFBVNOMYFKS-HNNXBMFYSA-N 1 2 395.463 3.784 20 30 GHEDLO Cc1cccc([C@@H](CN=Cc2cc3ccccc3[nH]c2=O)[NH+]2CCOCC2)c1 ZINC000122563960 839721215 /nfs/dbraw/zinc/72/12/15/839721215.db2.gz NEIBGFZQGQEHTR-VCOZGABYSA-N 1 2 375.472 3.741 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)NCC(C)(C)CCC#N)[C@@H](C)C1 ZINC000513112553 844506470 /nfs/dbraw/zinc/50/64/70/844506470.db2.gz BKDFDHQBCBAITK-SFHVURJKSA-N 1 2 386.540 3.631 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)NCC(C)(C)CCC#N)[C@@H](C)C1 ZINC000513112553 844506481 /nfs/dbraw/zinc/50/64/81/844506481.db2.gz BKDFDHQBCBAITK-SFHVURJKSA-N 1 2 386.540 3.631 20 30 GHEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)[C@H]1C ZINC000329262069 861218106 /nfs/dbraw/zinc/21/81/06/861218106.db2.gz DZOKUUNFYFMGLL-HBFSDRIKSA-N 1 2 377.573 3.882 20 30 GHEDLO C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)[C@H]1C ZINC000329262069 861218118 /nfs/dbraw/zinc/21/81/18/861218118.db2.gz DZOKUUNFYFMGLL-HBFSDRIKSA-N 1 2 377.573 3.882 20 30 GHEDLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)c(OC)c1 ZINC000015041904 841822079 /nfs/dbraw/zinc/82/20/79/841822079.db2.gz DNAZBTGHMQMAGT-ZDUSSCGKSA-N 1 2 387.867 3.688 20 30 GHEDLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)c(OC)c1 ZINC000015041904 841822089 /nfs/dbraw/zinc/82/20/89/841822089.db2.gz DNAZBTGHMQMAGT-ZDUSSCGKSA-N 1 2 387.867 3.688 20 30 GHEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ncncc2-c2ccccc2)CC1 ZINC000329291358 861256691 /nfs/dbraw/zinc/25/66/91/861256691.db2.gz NKWDFJLUXDAQML-KRWDZBQOSA-N 1 2 379.508 3.553 20 30 GHEDLO C[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)Cc2ccccc2O1 ZINC000429111069 861271318 /nfs/dbraw/zinc/27/13/18/861271318.db2.gz BKKJWMIYGNCXCK-MRXNPFEDSA-N 1 2 383.879 3.870 20 30 GHEDLO C[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)Cc2ccccc2O1 ZINC000429111069 861271331 /nfs/dbraw/zinc/27/13/31/861271331.db2.gz BKKJWMIYGNCXCK-MRXNPFEDSA-N 1 2 383.879 3.870 20 30 GHEDLO C[C@H](C(=O)NCc1ccccc1F)[N@@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000329310353 861275599 /nfs/dbraw/zinc/27/55/99/861275599.db2.gz PMIVTXJHRJUCTI-QGZVFWFLSA-N 1 2 389.515 3.785 20 30 GHEDLO C[C@H](C(=O)NCc1ccccc1F)[N@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000329310353 861275612 /nfs/dbraw/zinc/27/56/12/861275612.db2.gz PMIVTXJHRJUCTI-QGZVFWFLSA-N 1 2 389.515 3.785 20 30 GHEDLO Cc1cn2cc(NC(=O)CN3C(=O)N[C@]4(C[C@@H](C)CC(C)(C)C4)C3=O)ccc2[nH+]1 ZINC000328828124 842351067 /nfs/dbraw/zinc/35/10/67/842351067.db2.gz JUBSXICPGJVXAJ-ZSEKCTLFSA-N 1 2 397.479 3.572 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccccc3Br)CC2)cc1 ZINC000043133588 842910485 /nfs/dbraw/zinc/91/04/85/842910485.db2.gz FPIKRFIFCYHOPW-UHFFFAOYSA-N 1 2 399.292 3.670 20 30 GHEDLO C[C@@H]1[C@H](C)[N@H+](CC#Cc2ccc(F)cc2)CCN1CC#Cc1ccc(F)cc1 ZINC000662225537 842968911 /nfs/dbraw/zinc/96/89/11/842968911.db2.gz VNNDNZMNEPKOKE-BGYRXZFFSA-N 1 2 378.466 3.763 20 30 GHEDLO C[C@@H]1[C@H](C)[N@@H+](CC#Cc2ccc(F)cc2)CCN1CC#Cc1ccc(F)cc1 ZINC000662225537 842968917 /nfs/dbraw/zinc/96/89/17/842968917.db2.gz VNNDNZMNEPKOKE-BGYRXZFFSA-N 1 2 378.466 3.763 20 30 GHEDLO C[C@@H]1[C@H](C)N(CC#Cc2ccc(F)cc2)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000662225537 842968918 /nfs/dbraw/zinc/96/89/18/842968918.db2.gz VNNDNZMNEPKOKE-BGYRXZFFSA-N 1 2 378.466 3.763 20 30 GHEDLO C[C@@H]1[C@H](C)N(CC#Cc2ccc(F)cc2)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000662225537 842968922 /nfs/dbraw/zinc/96/89/22/842968922.db2.gz VNNDNZMNEPKOKE-BGYRXZFFSA-N 1 2 378.466 3.763 20 30 GHEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 ZINC000067401498 843389987 /nfs/dbraw/zinc/38/99/87/843389987.db2.gz ICWBKAYFSKTULL-HNNXBMFYSA-N 1 2 396.466 3.519 20 30 GHEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 ZINC000067401498 843389994 /nfs/dbraw/zinc/38/99/94/843389994.db2.gz ICWBKAYFSKTULL-HNNXBMFYSA-N 1 2 396.466 3.519 20 30 GHEDLO N#Cc1ccc(CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)c(F)c1 ZINC000178382029 843513877 /nfs/dbraw/zinc/51/38/77/843513877.db2.gz YUAQRWHFENVCSA-LEWJYISDSA-N 1 2 389.434 3.622 20 30 GHEDLO Cc1cc(C)cc(NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c1 ZINC000512826500 843815927 /nfs/dbraw/zinc/81/59/27/843815927.db2.gz DZSBSOVPHFIMCA-UHFFFAOYSA-N 1 2 381.451 3.796 20 30 GHEDLO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 ZINC000512835670 843832714 /nfs/dbraw/zinc/83/27/14/843832714.db2.gz YPPDRENWDDUGQO-HNNXBMFYSA-N 1 2 397.450 3.576 20 30 GHEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000329472204 861494618 /nfs/dbraw/zinc/49/46/18/861494618.db2.gz SEEUYLRUQIESFN-IEBWSBKVSA-N 1 2 382.508 3.685 20 30 GHEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000329472204 861494628 /nfs/dbraw/zinc/49/46/28/861494628.db2.gz SEEUYLRUQIESFN-IEBWSBKVSA-N 1 2 382.508 3.685 20 30 GHEDLO CC(C)N1CC2(CC1=O)CC[NH+](Cc1cc(Br)ccc1C#N)CC2 ZINC001141908075 861507038 /nfs/dbraw/zinc/50/70/38/861507038.db2.gz ZXLZEYBOTBMNTO-UHFFFAOYSA-N 1 2 390.325 3.544 20 30 GHEDLO C[C@H](c1cccc(NC(=O)c2ccccc2SCC#N)c1)[NH+]1CCOCC1 ZINC000729409055 844938569 /nfs/dbraw/zinc/93/85/69/844938569.db2.gz RFNHCJXNWLGSEV-MRXNPFEDSA-N 1 2 381.501 3.948 20 30 GHEDLO O=C(Nc1ncc(C2CCCCC2)s1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000329486962 861519368 /nfs/dbraw/zinc/51/93/68/861519368.db2.gz XRCLMJQQDKIRAR-INIZCTEOSA-N 1 2 378.542 3.533 20 30 GHEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000433060873 845106567 /nfs/dbraw/zinc/10/65/67/845106567.db2.gz NCMYCNPDQRPDCN-UHFFFAOYSA-N 1 2 385.305 3.847 20 30 GHEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 ZINC000535901925 845136716 /nfs/dbraw/zinc/13/67/16/845136716.db2.gz CUAMLVSDVONIMR-MRXNPFEDSA-N 1 2 390.418 3.853 20 30 GHEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000411380739 845373884 /nfs/dbraw/zinc/37/38/84/845373884.db2.gz CQZNGMGCMBDEFW-UHFFFAOYSA-N 1 2 377.897 3.875 20 30 GHEDLO Cc1cccn2cc(CCNC(=O)Nc3cccc(C#Cc4ccccn4)c3)[nH+]c12 ZINC000673761812 861646703 /nfs/dbraw/zinc/64/67/03/861646703.db2.gz IMDBMKYMPIEOJR-UHFFFAOYSA-N 1 2 395.466 3.802 20 30 GHEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000280237464 846341735 /nfs/dbraw/zinc/34/17/35/846341735.db2.gz STZNFRCIAFNEPS-UHFFFAOYSA-N 1 2 377.488 3.881 20 30 GHEDLO COC(=O)C[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C1CCOCC1 ZINC000582101516 846359912 /nfs/dbraw/zinc/35/99/12/846359912.db2.gz PPXZGTYWZSOWEW-UHFFFAOYSA-N 1 2 392.499 3.540 20 30 GHEDLO COC(=O)C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C1CCOCC1 ZINC000582101516 846359925 /nfs/dbraw/zinc/35/99/25/846359925.db2.gz PPXZGTYWZSOWEW-UHFFFAOYSA-N 1 2 392.499 3.540 20 30 GHEDLO C=C[C@](C)(CCOC)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000473536179 846504016 /nfs/dbraw/zinc/50/40/16/846504016.db2.gz YFWYLOXHLSNYDT-FXAWDEMLSA-N 1 2 382.907 3.789 20 30 GHEDLO C=C[C@](C)(CCOC)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000473536179 846504022 /nfs/dbraw/zinc/50/40/22/846504022.db2.gz YFWYLOXHLSNYDT-FXAWDEMLSA-N 1 2 382.907 3.789 20 30 GHEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)NCC1(C#N)CCC1 ZINC000419648665 846717060 /nfs/dbraw/zinc/71/70/60/846717060.db2.gz POGCAXGSBGBVGW-UHFFFAOYSA-N 1 2 395.507 3.578 20 30 GHEDLO CCCn1nccc1C1CC[NH+](CC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC000501551666 847014200 /nfs/dbraw/zinc/01/42/00/847014200.db2.gz NBGXMGFINPZNIV-UHFFFAOYSA-N 1 2 385.537 3.661 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)Cc3ccc4c(c3)OCCO4)n2)C1 ZINC000329066006 847452528 /nfs/dbraw/zinc/45/25/28/847452528.db2.gz LGDZOOJYUGUWQM-CQSZACIVSA-N 1 2 387.505 3.977 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)Cc3ccc4c(c3)OCCO4)n2)C1 ZINC000329066006 847452532 /nfs/dbraw/zinc/45/25/32/847452532.db2.gz LGDZOOJYUGUWQM-CQSZACIVSA-N 1 2 387.505 3.977 20 30 GHEDLO COc1cc(Br)c(C[NH2+]Cc2ccc(C#N)cc2F)cc1OC ZINC000237189139 847874929 /nfs/dbraw/zinc/87/49/29/847874929.db2.gz XSNRCJUYGGKYOR-UHFFFAOYSA-N 1 2 379.229 3.767 20 30 GHEDLO C=CCCn1cc(C[NH2+][C@@H]2CSCc3ccc(Br)cc32)nn1 ZINC000657642175 848409149 /nfs/dbraw/zinc/40/91/49/848409149.db2.gz VYZMEIBFNGKPPJ-MRXNPFEDSA-N 1 2 379.327 3.694 20 30 GHEDLO N#CCc1ccc(Oc2ccc(C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)cc2)cc1 ZINC000511211809 848617451 /nfs/dbraw/zinc/61/74/51/848617451.db2.gz ALRBCVNAIMCQMM-FQEVSTJZSA-N 1 2 398.466 3.949 20 30 GHEDLO CN(CC(C)(C)C#N)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000458379317 849034774 /nfs/dbraw/zinc/03/47/74/849034774.db2.gz NNUMTDXWOGDHCV-INIZCTEOSA-N 1 2 380.895 3.635 20 30 GHEDLO CN(CC(C)(C)C#N)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000458379317 849034780 /nfs/dbraw/zinc/03/47/80/849034780.db2.gz NNUMTDXWOGDHCV-INIZCTEOSA-N 1 2 380.895 3.635 20 30 GHEDLO CC(C)CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(C#N)cc1 ZINC000514501932 849935256 /nfs/dbraw/zinc/93/52/56/849935256.db2.gz LEXGUTXURWDVJI-UHFFFAOYSA-N 1 2 389.415 3.955 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429160401 862087907 /nfs/dbraw/zinc/08/79/07/862087907.db2.gz GYHHFEMATHWUDZ-MSOLQXFVSA-N 1 2 393.487 3.613 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429160401 862087923 /nfs/dbraw/zinc/08/79/23/862087923.db2.gz GYHHFEMATHWUDZ-MSOLQXFVSA-N 1 2 393.487 3.613 20 30 GHEDLO Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000435199070 850213955 /nfs/dbraw/zinc/21/39/55/850213955.db2.gz UCZCXDRNQWBRCE-UHFFFAOYSA-N 1 2 380.473 3.744 20 30 GHEDLO C=C(C)COc1cc(C[NH2+][C@@H](C)c2ncc(C(=O)OC)s2)ccc1OC ZINC000424199222 850286693 /nfs/dbraw/zinc/28/66/93/850286693.db2.gz JXYRCAGQQDPLNU-ZDUSSCGKSA-N 1 2 376.478 3.744 20 30 GHEDLO CC(C)COc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000017843230 850299312 /nfs/dbraw/zinc/29/93/12/850299312.db2.gz WFFGTLSUMMCTTO-UHFFFAOYSA-N 1 2 377.488 3.551 20 30 GHEDLO C=CCCc1ccccc1NC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000505024320 850534257 /nfs/dbraw/zinc/53/42/57/850534257.db2.gz SNYBYNNZPUXOBU-JOCHJYFZSA-N 1 2 393.531 3.870 20 30 GHEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000440322884 851064278 /nfs/dbraw/zinc/06/42/78/851064278.db2.gz FTNJLHNIXJTDPC-DNVCBOLYSA-N 1 2 396.318 3.645 20 30 GHEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000440322884 851064287 /nfs/dbraw/zinc/06/42/87/851064287.db2.gz FTNJLHNIXJTDPC-DNVCBOLYSA-N 1 2 396.318 3.645 20 30 GHEDLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000111769779 851926604 /nfs/dbraw/zinc/92/66/04/851926604.db2.gz BKYTVCWXAWXOTB-UHFFFAOYSA-N 1 2 393.450 3.989 20 30 GHEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCCC[C@H]2c2nccn2CC)c(OC)c1 ZINC000549998986 852142348 /nfs/dbraw/zinc/14/23/48/852142348.db2.gz KUKSWIZGMIXXCU-PMACEKPBSA-N 1 2 399.535 3.607 20 30 GHEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCCC[C@H]2c2nccn2CC)c(OC)c1 ZINC000549998986 852142359 /nfs/dbraw/zinc/14/23/59/852142359.db2.gz KUKSWIZGMIXXCU-PMACEKPBSA-N 1 2 399.535 3.607 20 30 GHEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000180883245 862388736 /nfs/dbraw/zinc/38/87/36/862388736.db2.gz HQSVJKKTWUAYJX-ZDUSSCGKSA-N 1 2 388.562 3.546 20 30 GHEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000180883245 862388756 /nfs/dbraw/zinc/38/87/56/862388756.db2.gz HQSVJKKTWUAYJX-ZDUSSCGKSA-N 1 2 388.562 3.546 20 30 GHEDLO COc1cc2nc(C)sc2cc1NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000329883648 862395578 /nfs/dbraw/zinc/39/55/78/862395578.db2.gz RGXARUZAOGFDGR-MLGOLLRUSA-N 1 2 385.493 3.938 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CCc4c3cccc4Cl)CC2)cc1 ZINC000516640252 852812878 /nfs/dbraw/zinc/81/28/78/852812878.db2.gz MRBMTFBCMNJSJM-NRFANRHFSA-N 1 2 394.906 3.726 20 30 GHEDLO CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C[C@H](C#N)CCC#N)CC1 ZINC000507551615 853019033 /nfs/dbraw/zinc/01/90/33/853019033.db2.gz MQUZZQKAQNIHEP-LPHOPBHVSA-N 1 2 389.341 3.961 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)c2cc3n(n2)CCCO3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000329948499 862448431 /nfs/dbraw/zinc/44/84/31/862448431.db2.gz KUMQREVPJCGXST-YJBOKZPZSA-N 1 2 392.862 3.598 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)c2cc3n(n2)CCCO3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000329948499 862448436 /nfs/dbraw/zinc/44/84/36/862448436.db2.gz KUMQREVPJCGXST-YJBOKZPZSA-N 1 2 392.862 3.598 20 30 GHEDLO O=C1C=COC2(CCN(c3cc[nH+]c4cc(F)c(Br)cc43)CC2)C1 ZINC000896882688 862459334 /nfs/dbraw/zinc/45/93/34/862459334.db2.gz UDMPCPTUOKXUJC-UHFFFAOYSA-N 1 2 391.240 3.979 20 30 GHEDLO C[C@@H](Oc1ccccc1C#N)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000029780581 853473546 /nfs/dbraw/zinc/47/35/46/853473546.db2.gz ADLOKBOBNDCOFV-LSDHHAIUSA-N 1 2 384.505 3.653 20 30 GHEDLO C[C@@H](Oc1ccccc1C#N)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000029780581 853473558 /nfs/dbraw/zinc/47/35/58/853473558.db2.gz ADLOKBOBNDCOFV-LSDHHAIUSA-N 1 2 384.505 3.653 20 30 GHEDLO C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O ZINC000055119252 853649958 /nfs/dbraw/zinc/64/99/58/853649958.db2.gz ZIVXIHSCOPRRLT-INIZCTEOSA-N 1 2 388.254 3.629 20 30 GHEDLO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O ZINC000055119252 853649965 /nfs/dbraw/zinc/64/99/65/853649965.db2.gz ZIVXIHSCOPRRLT-INIZCTEOSA-N 1 2 388.254 3.629 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(c3ccnc(-c4ccccc4)n3)CC2)c(Cl)c1 ZINC000439454371 853673570 /nfs/dbraw/zinc/67/35/70/853673570.db2.gz NCBLRWNBKHYWCM-UHFFFAOYSA-N 1 2 389.890 3.991 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)NCC2CCC(C#N)CC2)[C@@H](C)C1 ZINC000440980922 853792201 /nfs/dbraw/zinc/79/22/01/853792201.db2.gz CLRFIAGPFIXHAK-HDYDNRTBSA-N 1 2 398.551 3.631 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)NCC2CCC(C#N)CC2)[C@@H](C)C1 ZINC000440980922 853792207 /nfs/dbraw/zinc/79/22/07/853792207.db2.gz CLRFIAGPFIXHAK-HDYDNRTBSA-N 1 2 398.551 3.631 20 30 GHEDLO N#Cc1ccc(N2CC[C@H](C(=O)Nc3ccc(-c4[nH]cc[nH+]4)cc3)C2)c(F)c1 ZINC000571428308 853877305 /nfs/dbraw/zinc/87/73/05/853877305.db2.gz QYEPVDVYAZOZSM-INIZCTEOSA-N 1 2 375.407 3.552 20 30 GHEDLO N#Cc1ccc(-c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)cc1Cl ZINC000571720721 854026806 /nfs/dbraw/zinc/02/68/06/854026806.db2.gz XDWQDKFRITZZNY-GOSISDBHSA-N 1 2 380.835 3.835 20 30 GHEDLO N#Cc1ccc(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)cc1Cl ZINC000571720721 854026810 /nfs/dbraw/zinc/02/68/10/854026810.db2.gz XDWQDKFRITZZNY-GOSISDBHSA-N 1 2 380.835 3.835 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)Nc2ccc(CC#N)cc2)[C@H](C)C1 ZINC000441329706 854114859 /nfs/dbraw/zinc/11/48/59/854114859.db2.gz JUOANAITVLHWDV-GOSISDBHSA-N 1 2 392.503 3.890 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)Nc2ccc(CC#N)cc2)[C@H](C)C1 ZINC000441329706 854114862 /nfs/dbraw/zinc/11/48/62/854114862.db2.gz JUOANAITVLHWDV-GOSISDBHSA-N 1 2 392.503 3.890 20 30 GHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3COCCN3C3CCCC3)n2)C1 ZINC000330077637 862557537 /nfs/dbraw/zinc/55/75/37/862557537.db2.gz HPMZOBINCSYHEO-YJBOKZPZSA-N 1 2 392.569 3.606 20 30 GHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3COCCN3C3CCCC3)n2)C1 ZINC000330077637 862557544 /nfs/dbraw/zinc/55/75/44/862557544.db2.gz HPMZOBINCSYHEO-YJBOKZPZSA-N 1 2 392.569 3.606 20 30 GHEDLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CC[C@H]([C@H]2CCOC2)C1 ZINC000328799923 854562001 /nfs/dbraw/zinc/56/20/01/854562001.db2.gz HSHVDSLMPADIJF-WMZOPIPTSA-N 1 2 378.476 3.506 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC[C@H]3[C@@H]3CCCO3)n2)C1 ZINC000328857410 854580062 /nfs/dbraw/zinc/58/00/62/854580062.db2.gz XVYZKJFUKSFQIZ-PVAVHDDUSA-N 1 2 378.542 3.564 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC[C@H]3[C@@H]3CCCO3)n2)C1 ZINC000328857410 854580068 /nfs/dbraw/zinc/58/00/68/854580068.db2.gz XVYZKJFUKSFQIZ-PVAVHDDUSA-N 1 2 378.542 3.564 20 30 GHEDLO CC(C)c1nc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)NC(=O)NC3CCCCC3)C2)no1 ZINC000328858898 854581071 /nfs/dbraw/zinc/58/10/71/854581071.db2.gz YIYWJGJOPLKHMQ-LSDHHAIUSA-N 1 2 391.516 3.964 20 30 GHEDLO CC(C)c1nc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)NC(=O)NC3CCCCC3)C2)no1 ZINC000328858898 854581081 /nfs/dbraw/zinc/58/10/81/854581081.db2.gz YIYWJGJOPLKHMQ-LSDHHAIUSA-N 1 2 391.516 3.964 20 30 GHEDLO N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@H](n4cc[nH+]c4)C3)cc2)ccn1 ZINC000589364156 854829257 /nfs/dbraw/zinc/82/92/57/854829257.db2.gz LVJIQPYJNTWFEW-SFHVURJKSA-N 1 2 388.431 3.811 20 30 GHEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@H](c2ccc(F)cc2)C(C)C)C[C@@]2(CCOC2)O1 ZINC000330165847 862628834 /nfs/dbraw/zinc/62/88/34/862628834.db2.gz XIXIONGBMMKKBS-HLAWJBBLSA-N 1 2 378.488 3.749 20 30 GHEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@H](c2ccc(F)cc2)C(C)C)C[C@@]2(CCOC2)O1 ZINC000330165847 862628842 /nfs/dbraw/zinc/62/88/42/862628842.db2.gz XIXIONGBMMKKBS-HLAWJBBLSA-N 1 2 378.488 3.749 20 30 GHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)Cc2cccc(OCC#N)c2)c(C)c1 ZINC000760590568 862631661 /nfs/dbraw/zinc/63/16/61/862631661.db2.gz MZENGZFQNIARJN-QFIPXVFZSA-N 1 2 388.471 3.503 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3CC(c4ccc(F)cc4)C3)CC2)cc1 ZINC000590032609 855242331 /nfs/dbraw/zinc/24/23/31/855242331.db2.gz MWYDRIGJVJUKNH-UHFFFAOYSA-N 1 2 377.463 3.535 20 30 GHEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)Cc1ccc(Br)s1 ZINC000057524710 855439531 /nfs/dbraw/zinc/43/95/31/855439531.db2.gz RTYNWBXWPIQMPS-LBPRGKRZSA-N 1 2 384.343 3.674 20 30 GHEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)Cc1ccc(Br)s1 ZINC000057524710 855439538 /nfs/dbraw/zinc/43/95/38/855439538.db2.gz RTYNWBXWPIQMPS-LBPRGKRZSA-N 1 2 384.343 3.674 20 30 GHEDLO CC(C)(C)c1nsc(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)n1 ZINC000330241987 862687211 /nfs/dbraw/zinc/68/72/11/862687211.db2.gz FXVPXNUTSUATDD-HZPDHXFCSA-N 1 2 396.520 3.709 20 30 GHEDLO Cc1nc([C@@H]2CCCOC2)sc1C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000330243191 862688032 /nfs/dbraw/zinc/68/80/32/862688032.db2.gz JPFKMYKLNNGIEB-IJEWVQPXSA-N 1 2 395.569 3.538 20 30 GHEDLO Cc1nc([C@@H]2CCCOC2)sc1C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000330243191 862688044 /nfs/dbraw/zinc/68/80/44/862688044.db2.gz JPFKMYKLNNGIEB-IJEWVQPXSA-N 1 2 395.569 3.538 20 30 GHEDLO N#Cc1ccc(C(F)(F)F)nc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000301251169 855648292 /nfs/dbraw/zinc/64/82/92/855648292.db2.gz CDQHZLLEQDMHQJ-UHFFFAOYSA-N 1 2 380.801 3.948 20 30 GHEDLO CC1(C)COCC[N@@H+]1CCNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000171552252 856182432 /nfs/dbraw/zinc/18/24/32/856182432.db2.gz PWZVXOFXVGDFLY-UHFFFAOYSA-N 1 2 394.475 3.583 20 30 GHEDLO CC1(C)COCC[N@H+]1CCNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000171552252 856182439 /nfs/dbraw/zinc/18/24/39/856182439.db2.gz PWZVXOFXVGDFLY-UHFFFAOYSA-N 1 2 394.475 3.583 20 30 GHEDLO N#CCCSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(OC(F)F)cc1 ZINC000045965838 856301109 /nfs/dbraw/zinc/30/11/09/856301109.db2.gz PSGYLJACLLGAKZ-UHFFFAOYSA-N 1 2 393.463 3.860 20 30 GHEDLO C[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CC2(CCCC2)O1 ZINC000592187172 856684670 /nfs/dbraw/zinc/68/46/70/856684670.db2.gz HTVITLMDXHSUJX-MRXNPFEDSA-N 1 2 375.900 3.620 20 30 GHEDLO C[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CC2(CCCC2)O1 ZINC000592187172 856684672 /nfs/dbraw/zinc/68/46/72/856684672.db2.gz HTVITLMDXHSUJX-MRXNPFEDSA-N 1 2 375.900 3.620 20 30 GHEDLO C[C@H](Oc1ccccc1C#N)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000509207278 862830296 /nfs/dbraw/zinc/83/02/96/862830296.db2.gz ADLOKBOBNDCOFV-CABCVRRESA-N 1 2 384.505 3.653 20 30 GHEDLO C[C@H](Oc1ccccc1C#N)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000509207278 862830311 /nfs/dbraw/zinc/83/03/11/862830311.db2.gz ADLOKBOBNDCOFV-CABCVRRESA-N 1 2 384.505 3.653 20 30 GHEDLO COCC[N@H+](CC(=O)N[C@H](C)c1ccccc1Cl)Cc1ccc(C#N)cc1 ZINC000063754334 857051567 /nfs/dbraw/zinc/05/15/67/857051567.db2.gz OBOIRCIGCFZPAY-MRXNPFEDSA-N 1 2 385.895 3.537 20 30 GHEDLO COCC[N@@H+](CC(=O)N[C@H](C)c1ccccc1Cl)Cc1ccc(C#N)cc1 ZINC000063754334 857051569 /nfs/dbraw/zinc/05/15/69/857051569.db2.gz OBOIRCIGCFZPAY-MRXNPFEDSA-N 1 2 385.895 3.537 20 30 GHEDLO CC[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1cc(F)cc(Br)c1 ZINC000485841380 857137526 /nfs/dbraw/zinc/13/75/26/857137526.db2.gz AFZHGOVUBKVSEE-IAGOWNOFSA-N 1 2 390.256 3.727 20 30 GHEDLO CSc1nc(C2CC2)cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1C#N ZINC000027027612 857243577 /nfs/dbraw/zinc/24/35/77/857243577.db2.gz VSWPSJUVQSTPBM-UHFFFAOYSA-N 1 2 392.528 3.511 20 30 GHEDLO Cc1nc(-c2cc3c(s2)CC[N@H+](Cc2cnc4c(C#N)cnn4c2)C3)cs1 ZINC000592505605 857599423 /nfs/dbraw/zinc/59/94/23/857599423.db2.gz YHSNGQZYDWSKJH-UHFFFAOYSA-N 1 2 392.513 3.653 20 30 GHEDLO Cc1nc(-c2cc3c(s2)CC[N@@H+](Cc2cnc4c(C#N)cnn4c2)C3)cs1 ZINC000592505605 857599428 /nfs/dbraw/zinc/59/94/28/857599428.db2.gz YHSNGQZYDWSKJH-UHFFFAOYSA-N 1 2 392.513 3.653 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249083002 862944743 /nfs/dbraw/zinc/94/47/43/862944743.db2.gz RBFMZLYGUGCKAO-WOJBJXKFSA-N 1 2 397.881 3.944 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249083002 862944755 /nfs/dbraw/zinc/94/47/55/862944755.db2.gz RBFMZLYGUGCKAO-WOJBJXKFSA-N 1 2 397.881 3.944 20 30 GHEDLO C[N@H+](CC(=O)Nc1ccnn1Cc1ccccc1Cl)Cc1cccc(C#N)c1 ZINC000046518364 858065632 /nfs/dbraw/zinc/06/56/32/858065632.db2.gz WHDWDAZPTKJOGV-UHFFFAOYSA-N 1 2 393.878 3.527 20 30 GHEDLO C[N@@H+](CC(=O)Nc1ccnn1Cc1ccccc1Cl)Cc1cccc(C#N)c1 ZINC000046518364 858065639 /nfs/dbraw/zinc/06/56/39/858065639.db2.gz WHDWDAZPTKJOGV-UHFFFAOYSA-N 1 2 393.878 3.527 20 30 GHEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCc3sccc3[C@H]2c2cccs2)cc1 ZINC000521820977 858355410 /nfs/dbraw/zinc/35/54/10/858355410.db2.gz LSLBBGNWZXITST-NRFANRHFSA-N 1 2 393.537 3.945 20 30 GHEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCc3sccc3[C@H]2c2cccs2)cc1 ZINC000521820977 858355415 /nfs/dbraw/zinc/35/54/15/858355415.db2.gz LSLBBGNWZXITST-NRFANRHFSA-N 1 2 393.537 3.945 20 30 GHEDLO C[C@H](NC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1)c1nc(C(C)(C)C)cs1 ZINC000330340164 863022196 /nfs/dbraw/zinc/02/21/96/863022196.db2.gz XOJCNDHIYJLFRM-GUTXKFCHSA-N 1 2 391.541 3.659 20 30 GHEDLO Cc1ccc(-c2nnc([C@@H](C)O[NH+]=C(N)c3ccc4c(c3)CCO4)o2)cc1C ZINC000158150912 858476999 /nfs/dbraw/zinc/47/69/99/858476999.db2.gz YUKJCGUDWAQCPH-CQSZACIVSA-N 1 2 378.432 3.686 20 30 GHEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000575041553 858501209 /nfs/dbraw/zinc/50/12/09/858501209.db2.gz OZQWHAIOSUXXKU-PUCZYUMASA-N 1 2 398.457 3.984 20 30 GHEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000575041553 858501214 /nfs/dbraw/zinc/50/12/14/858501214.db2.gz OZQWHAIOSUXXKU-PUCZYUMASA-N 1 2 398.457 3.984 20 30 GHEDLO NC(=[NH+]OCC(=O)Nc1ccccc1-c1ccccc1)c1ccc2c(c1)CCO2 ZINC000158200661 858507126 /nfs/dbraw/zinc/50/71/26/858507126.db2.gz VDUXZPFBYHFFRS-UHFFFAOYSA-N 1 2 387.439 3.564 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)N2CC[C@@](C)(C#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000595571860 858556045 /nfs/dbraw/zinc/55/60/45/858556045.db2.gz AXEPGNRUHJEWJC-SCTDSRPQSA-N 1 2 378.879 3.560 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)N2CC[C@@](C)(C#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000595571860 858556054 /nfs/dbraw/zinc/55/60/54/858556054.db2.gz AXEPGNRUHJEWJC-SCTDSRPQSA-N 1 2 378.879 3.560 20 30 GHEDLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000595625872 858621705 /nfs/dbraw/zinc/62/17/05/858621705.db2.gz NLUBXXATVSSZGT-OLZOCXBDSA-N 1 2 394.315 3.750 20 30 GHEDLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000595625872 858621708 /nfs/dbraw/zinc/62/17/08/858621708.db2.gz NLUBXXATVSSZGT-OLZOCXBDSA-N 1 2 394.315 3.750 20 30 GHEDLO COc1ccc2c(c1)CC[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C2 ZINC000595759200 858660674 /nfs/dbraw/zinc/66/06/74/858660674.db2.gz JKTAWSQEIKBGLO-UHFFFAOYSA-N 1 2 383.879 3.654 20 30 GHEDLO COc1ccc2c(c1)CC[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C2 ZINC000595759200 858660680 /nfs/dbraw/zinc/66/06/80/858660680.db2.gz JKTAWSQEIKBGLO-UHFFFAOYSA-N 1 2 383.879 3.654 20 30 GHEDLO Cc1ccccc1Cc1noc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)n1 ZINC000595765045 858663336 /nfs/dbraw/zinc/66/33/36/858663336.db2.gz NWBXXTIAXIJOKO-UHFFFAOYSA-N 1 2 388.471 3.636 20 30 GHEDLO N#Cc1cccc(C2([NH2+]Cc3nc(CCc4ccccc4)no3)CCOCC2)c1 ZINC000595765178 858663344 /nfs/dbraw/zinc/66/33/44/858663344.db2.gz PGAQHAJEXVRDAM-UHFFFAOYSA-N 1 2 388.471 3.522 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCc2cc(C#N)ccc2F)C[C@H](C)O1 ZINC000466195645 858679321 /nfs/dbraw/zinc/67/93/21/858679321.db2.gz OFDKKHOAMMQFOZ-IYBDPMFKSA-N 1 2 396.466 3.628 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCc2cc(C#N)ccc2F)C[C@H](C)O1 ZINC000466195645 858679327 /nfs/dbraw/zinc/67/93/27/858679327.db2.gz OFDKKHOAMMQFOZ-IYBDPMFKSA-N 1 2 396.466 3.628 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000507238961 858791400 /nfs/dbraw/zinc/79/14/00/858791400.db2.gz SWUNECAUEBEBMW-AWEZNQCLSA-N 1 2 397.548 3.818 20 30 GHEDLO Cc1cccc(CN(C)c2cc(C)[nH+]c(N(C)Cc3cccc(C)n3)c2C#N)n1 ZINC000596260875 858845448 /nfs/dbraw/zinc/84/54/48/858845448.db2.gz OFAMCMUWDFIKSX-UHFFFAOYSA-N 1 2 386.503 3.941 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)NC(C)(C)c2cccc(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000596536389 858946631 /nfs/dbraw/zinc/94/66/31/858946631.db2.gz WWFGTGLJTIRSMS-VQTJNVASSA-N 1 2 398.457 3.816 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)NC(C)(C)c2cccc(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000596536389 858946640 /nfs/dbraw/zinc/94/66/40/858946640.db2.gz WWFGTGLJTIRSMS-VQTJNVASSA-N 1 2 398.457 3.816 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc(F)c(C#N)c(F)c3)n2)C1 ZINC000596895605 859133387 /nfs/dbraw/zinc/13/33/87/859133387.db2.gz SSOLULUESZFSRS-LLVKDONJSA-N 1 2 376.432 3.777 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc(F)c(C#N)c(F)c3)n2)C1 ZINC000596895605 859133395 /nfs/dbraw/zinc/13/33/95/859133395.db2.gz SSOLULUESZFSRS-LLVKDONJSA-N 1 2 376.432 3.777 20 30 GHEDLO N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC000596862280 859141867 /nfs/dbraw/zinc/14/18/67/859141867.db2.gz FEOIONNEZUWTBG-SFHVURJKSA-N 1 2 386.455 3.729 20 30 GHEDLO N#CC1(c2ccc(C[NH+]3CCN(C(=O)c4cc5ccccc5[nH]4)CC3)cc2)CC1 ZINC000596992915 859233243 /nfs/dbraw/zinc/23/32/43/859233243.db2.gz GXJGIAOSQBYNPF-UHFFFAOYSA-N 1 2 384.483 3.681 20 30 GHEDLO NC(=[NH+]OCc1cccc2nsnc21)c1ccc(OCc2cccnc2)cc1 ZINC000764547513 859498837 /nfs/dbraw/zinc/49/88/37/859498837.db2.gz CWSKMLJFJGHUEV-UHFFFAOYSA-N 1 2 391.456 3.502 20 30 GHEDLO C#CCN(C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)C1CC1 ZINC000764720165 859580528 /nfs/dbraw/zinc/58/05/28/859580528.db2.gz MNNDOJXHSKLBDJ-UHFFFAOYSA-N 1 2 384.483 3.906 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](CF)c1ccc(F)cc1 ZINC000601942864 859667528 /nfs/dbraw/zinc/66/75/28/859667528.db2.gz VTUJZIQVGPUCEC-YJBOKZPZSA-N 1 2 387.430 3.770 20 30 GHEDLO C[C@@H](C#N)C[N@H+](Cc1sc(N2CCOCC2)nc1-c1ccccc1)C1CC1 ZINC000611276120 859677937 /nfs/dbraw/zinc/67/79/37/859677937.db2.gz UFCJSHQXLDKTTD-INIZCTEOSA-N 1 2 382.533 3.771 20 30 GHEDLO C[C@@H](C#N)C[N@@H+](Cc1sc(N2CCOCC2)nc1-c1ccccc1)C1CC1 ZINC000611276120 859677945 /nfs/dbraw/zinc/67/79/45/859677945.db2.gz UFCJSHQXLDKTTD-INIZCTEOSA-N 1 2 382.533 3.771 20 30 GHEDLO CCOC(=O)c1sc([C@@H]2CC[N@H+](Cc3cc(C#N)cnc3Cl)C2)nc1C ZINC000895585478 859683119 /nfs/dbraw/zinc/68/31/19/859683119.db2.gz XAQUMDSVTHDBEZ-CYBMUJFWSA-N 1 2 390.896 3.538 20 30 GHEDLO CCOC(=O)c1sc([C@@H]2CC[N@@H+](Cc3cc(C#N)cnc3Cl)C2)nc1C ZINC000895585478 859683121 /nfs/dbraw/zinc/68/31/21/859683121.db2.gz XAQUMDSVTHDBEZ-CYBMUJFWSA-N 1 2 390.896 3.538 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cc(F)c(C#N)c(F)c2)[C@@H](C)C1 ZINC000597621037 859686492 /nfs/dbraw/zinc/68/64/92/859686492.db2.gz MSDAQPIAXLPLLY-HNNXBMFYSA-N 1 2 399.441 3.582 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cc(F)c(C#N)c(F)c2)[C@@H](C)C1 ZINC000597621037 859686495 /nfs/dbraw/zinc/68/64/95/859686495.db2.gz MSDAQPIAXLPLLY-HNNXBMFYSA-N 1 2 399.441 3.582 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCc2cc(C)ccc2C1 ZINC000483982310 859740552 /nfs/dbraw/zinc/74/05/52/859740552.db2.gz GZBKXUYXJGJDJS-GOSISDBHSA-N 1 2 377.488 3.697 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCc2cc(C)ccc2C1 ZINC000483982310 859740560 /nfs/dbraw/zinc/74/05/60/859740560.db2.gz GZBKXUYXJGJDJS-GOSISDBHSA-N 1 2 377.488 3.697 20 30 GHEDLO C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000508911395 859950340 /nfs/dbraw/zinc/95/03/40/859950340.db2.gz AUWZNYULGQDGIC-OAQYLSRUSA-N 1 2 391.519 3.921 20 30 GHEDLO CC(C)Oc1ccc(NC(=S)NN=Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000727258203 860017674 /nfs/dbraw/zinc/01/76/74/860017674.db2.gz YOAIHVUNALZWHT-UHFFFAOYSA-N 1 2 379.489 3.980 20 30 GHEDLO N#CC1(c2ccccc2)CCC([N@H+]2CCn3c(Br)cnc3C2)CC1 ZINC001170388833 881503640 /nfs/dbraw/zinc/50/36/40/881503640.db2.gz HDLRMEPUSHOPGX-UHFFFAOYSA-N 1 2 385.309 3.865 20 30 GHEDLO N#CC1(c2ccccc2)CCC([N@@H+]2CCn3c(Br)cnc3C2)CC1 ZINC001170388833 881503644 /nfs/dbraw/zinc/50/36/44/881503644.db2.gz HDLRMEPUSHOPGX-UHFFFAOYSA-N 1 2 385.309 3.865 20 30 GHEDLO N#Cc1ccc(C[NH2+][C@@H](CO)c2cccc(Cl)c2F)c(Br)c1 ZINC000499941134 860239005 /nfs/dbraw/zinc/23/90/05/860239005.db2.gz CFCXSEZXDPTUTC-HNNXBMFYSA-N 1 2 383.648 3.936 20 30 GHEDLO CC1(C)[NH2+]C2(CCN(c3ccc(C#N)cc3)CC2)N(CC2CCCCC2)C1=O ZINC000602755745 860258425 /nfs/dbraw/zinc/25/84/25/860258425.db2.gz JGTJMQOIGJKCOS-UHFFFAOYSA-N 1 2 380.536 3.645 20 30 GHEDLO C[C@H]1C[N@H+](Cc2cc(Br)ccc2C#N)CCC[C@]1(O)C(F)(F)F ZINC001141894965 860781145 /nfs/dbraw/zinc/78/11/45/860781145.db2.gz WEFFUWQPIOIGIH-XHDPSFHLSA-N 1 2 391.231 3.846 20 30 GHEDLO C[C@H]1C[N@@H+](Cc2cc(Br)ccc2C#N)CCC[C@]1(O)C(F)(F)F ZINC001141894965 860781151 /nfs/dbraw/zinc/78/11/51/860781151.db2.gz WEFFUWQPIOIGIH-XHDPSFHLSA-N 1 2 391.231 3.846 20 30 GHEDLO C#CCC[NH+]1CCN(C(=O)[C@@H](Sc2ccc(F)cc2)c2ccccc2)CC1 ZINC000730217336 860944222 /nfs/dbraw/zinc/94/42/22/860944222.db2.gz JJPXYVJDEISUAN-NRFANRHFSA-N 1 2 382.504 3.827 20 30 GHEDLO CC[C@@H]1c2ccccc2CC[N@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000734003036 863915237 /nfs/dbraw/zinc/91/52/37/863915237.db2.gz WFLWAYKTEVFTIV-AZUAARDMSA-N 1 2 386.455 3.521 20 30 GHEDLO CC[C@@H]1c2ccccc2CC[N@@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000734003036 863915250 /nfs/dbraw/zinc/91/52/50/863915250.db2.gz WFLWAYKTEVFTIV-AZUAARDMSA-N 1 2 386.455 3.521 20 30 GHEDLO N#Cc1ccccc1COc1cccc(C[N@H+]2CCOC[C@H]2[C@H]2CCCC2=O)c1 ZINC000475120737 864226841 /nfs/dbraw/zinc/22/68/41/864226841.db2.gz PZJQPOORNLANLG-PKTZIBPZSA-N 1 2 390.483 3.707 20 30 GHEDLO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCC2=O)c1 ZINC000475120737 864226857 /nfs/dbraw/zinc/22/68/57/864226857.db2.gz PZJQPOORNLANLG-PKTZIBPZSA-N 1 2 390.483 3.707 20 30 GHEDLO Cn1cc(C[NH+]2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c(Cl)n1 ZINC000897053614 864367594 /nfs/dbraw/zinc/36/75/94/864367594.db2.gz CNCBRKCIVYVCJM-HTQZYQBOSA-N 1 2 397.697 3.676 20 30 GHEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000447363915 864433277 /nfs/dbraw/zinc/43/32/77/864433277.db2.gz LQZCPQNHFPZHBM-SFHVURJKSA-N 1 2 394.519 3.617 20 30 GHEDLO C=CC[N@@H+](CC(=O)N1CCCc2cc(OC)ccc21)Cc1cccc(C#N)c1 ZINC000063300312 864497766 /nfs/dbraw/zinc/49/77/66/864497766.db2.gz HJPKFKAHMJXISX-UHFFFAOYSA-N 1 2 375.472 3.534 20 30 GHEDLO C=CC[N@H+](CC(=O)N1CCCc2cc(OC)ccc21)Cc1cccc(C#N)c1 ZINC000063300312 864497773 /nfs/dbraw/zinc/49/77/73/864497773.db2.gz HJPKFKAHMJXISX-UHFFFAOYSA-N 1 2 375.472 3.534 20 30 GHEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000063401047 864697020 /nfs/dbraw/zinc/69/70/20/864697020.db2.gz NCBAZBFFAFVMFC-UHFFFAOYSA-N 1 2 385.471 3.701 20 30 GHEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000475349032 864829920 /nfs/dbraw/zinc/82/99/20/864829920.db2.gz FXRAZJXMUGKGIV-IBGZPJMESA-N 1 2 381.867 3.706 20 30 GHEDLO Cc1ccc2[nH+]cc(CN3CCN([C@H](C#N)c4cccc(Cl)c4)CC3)n2c1 ZINC000475345797 864836315 /nfs/dbraw/zinc/83/63/15/864836315.db2.gz LAWIRJLOCOCCGZ-HXUWFJFHSA-N 1 2 379.895 3.679 20 30 GHEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1Cl ZINC000025949674 864837283 /nfs/dbraw/zinc/83/72/83/864837283.db2.gz XLGXGWFUMUSOSA-LJQANCHMSA-N 1 2 387.842 3.753 20 30 GHEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1Cl ZINC000025949674 864837299 /nfs/dbraw/zinc/83/72/99/864837299.db2.gz XLGXGWFUMUSOSA-LJQANCHMSA-N 1 2 387.842 3.753 20 30 GHEDLO N#CCSc1ccccc1NC(=O)C[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000063491892 864860883 /nfs/dbraw/zinc/86/08/83/864860883.db2.gz IKOVDUSKXKIVFB-QFIPXVFZSA-N 1 2 395.528 3.686 20 30 GHEDLO C=CCC1(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)CCC1 ZINC000480574850 864893486 /nfs/dbraw/zinc/89/34/86/864893486.db2.gz HABUZYBNDPWFBH-UHFFFAOYSA-N 1 2 376.298 3.810 20 30 GHEDLO C=CCO[C@H]1CC[N@@H+](CC(=O)Nc2nc(-c3ccc(CCC)cc3)cs2)C1 ZINC001168423645 864935411 /nfs/dbraw/zinc/93/54/11/864935411.db2.gz OBKWXVJQOUETTL-SFHVURJKSA-N 1 2 385.533 3.978 20 30 GHEDLO C=CCO[C@H]1CC[N@H+](CC(=O)Nc2nc(-c3ccc(CCC)cc3)cs2)C1 ZINC001168423645 864935423 /nfs/dbraw/zinc/93/54/23/864935423.db2.gz OBKWXVJQOUETTL-SFHVURJKSA-N 1 2 385.533 3.978 20 30 GHEDLO C#CCOc1ccc(F)cc1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000173793045 865081814 /nfs/dbraw/zinc/08/18/14/865081814.db2.gz ATSZHMXENKZGKJ-UHFFFAOYSA-N 1 2 382.439 3.545 20 30 GHEDLO N#Cc1cccc(C[NH+]2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)c1 ZINC000120993880 881854810 /nfs/dbraw/zinc/85/48/10/881854810.db2.gz RXLKXWZMBISQQH-FQEVSTJZSA-N 1 2 395.304 3.703 20 30 GHEDLO N#Cc1ccccc1Oc1ccc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000428343820 865380349 /nfs/dbraw/zinc/38/03/49/865380349.db2.gz DKPTUANSANJJNF-INIZCTEOSA-N 1 2 392.846 3.945 20 30 GHEDLO C=CCn1c([C@H]2COc3ccccc3O2)nn(C[N@@H+](CC)C2CCC2)c1=S ZINC000738054414 865488521 /nfs/dbraw/zinc/48/85/21/865488521.db2.gz PDNIGNVNOWGBRO-GOSISDBHSA-N 1 2 386.521 3.944 20 30 GHEDLO C=CCn1c([C@H]2COc3ccccc3O2)nn(C[N@H+](CC)C2CCC2)c1=S ZINC000738054414 865488523 /nfs/dbraw/zinc/48/85/23/865488523.db2.gz PDNIGNVNOWGBRO-GOSISDBHSA-N 1 2 386.521 3.944 20 30 GHEDLO CCOc1ccccc1C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000172168297 865510386 /nfs/dbraw/zinc/51/03/86/865510386.db2.gz VTCTVQOQQHJCCL-QGZVFWFLSA-N 1 2 383.467 3.992 20 30 GHEDLO CCOc1ccccc1C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000172168297 865510393 /nfs/dbraw/zinc/51/03/93/865510393.db2.gz VTCTVQOQQHJCCL-QGZVFWFLSA-N 1 2 383.467 3.992 20 30 GHEDLO Cc1ccc(C[C@@H](C)N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])s1 ZINC000738561393 865551938 /nfs/dbraw/zinc/55/19/38/865551938.db2.gz SHCSJZAFOLJFMY-CYBMUJFWSA-N 1 2 380.517 3.647 20 30 GHEDLO O=C(/C=C\c1c[nH+]c2ccc(Cl)cn12)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000737444650 866751338 /nfs/dbraw/zinc/75/13/38/866751338.db2.gz RZRWJCRQNPEMQF-DAXSKMNVSA-N 1 2 396.802 3.880 20 30 GHEDLO N#Cc1cnc2c(F)c(F)c(F)cc2c1NCc1cccc(-n2cc[nH+]c2)c1 ZINC000553437908 867401061 /nfs/dbraw/zinc/40/10/61/867401061.db2.gz BODHDHWJVNHIQB-UHFFFAOYSA-N 1 2 379.345 3.743 20 30 GHEDLO N#Cc1cnc2c(Br)cccc2c1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000440638069 867682234 /nfs/dbraw/zinc/68/22/34/867682234.db2.gz PEBHXGCJJICXBT-OAHLLOKOSA-N 1 2 395.260 3.922 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3c[nH]c4ccc(Cl)cc34)CC2)cc1 ZINC000524253019 868776152 /nfs/dbraw/zinc/77/61/52/868776152.db2.gz RSQLVYPRUUOSOL-UHFFFAOYSA-N 1 2 392.890 3.580 20 30 GHEDLO COC(=O)c1ccc(C[NH2+]Cc2cc(C#N)ccc2F)c(Br)c1 ZINC000793585131 882288053 /nfs/dbraw/zinc/28/80/53/882288053.db2.gz WWUCYRJBKAVRHV-UHFFFAOYSA-N 1 2 377.213 3.536 20 30 GHEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000152868623 869533816 /nfs/dbraw/zinc/53/38/16/869533816.db2.gz FMEFFBAEFZOOCM-MRXNPFEDSA-N 1 2 379.895 3.738 20 30 GHEDLO Cc1cccc(C)c1OCCO[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000745448651 869566099 /nfs/dbraw/zinc/56/60/99/869566099.db2.gz QFTZAYCRLOMNRL-UHFFFAOYSA-N 1 2 391.471 3.993 20 30 GHEDLO FC(F)C(F)(F)CN1CC[NH+](Cc2ccccc2OCC(F)(F)F)CC1 ZINC000525272791 870246691 /nfs/dbraw/zinc/24/66/91/870246691.db2.gz UPKGTHPCDQPKNR-UHFFFAOYSA-N 1 2 388.327 3.646 20 30 GHEDLO C=CCOc1ccc(C[N@H+](C)CC(=O)Nc2cc(F)cc(F)c2)cc1OC ZINC000538740396 870504275 /nfs/dbraw/zinc/50/42/75/870504275.db2.gz LILSHGPMXPOWON-UHFFFAOYSA-N 1 2 376.403 3.609 20 30 GHEDLO C=CCOc1ccc(C[N@@H+](C)CC(=O)Nc2cc(F)cc(F)c2)cc1OC ZINC000538740396 870504280 /nfs/dbraw/zinc/50/42/80/870504280.db2.gz LILSHGPMXPOWON-UHFFFAOYSA-N 1 2 376.403 3.609 20 30 GHEDLO N#Cc1cccc(-c2nnc(C[NH+]3CCC(Oc4ccc(F)cc4F)CC3)o2)c1 ZINC000441192424 870932954 /nfs/dbraw/zinc/93/29/54/870932954.db2.gz VXJBYPNBAVMLEG-UHFFFAOYSA-N 1 2 396.397 3.930 20 30 GHEDLO CCCOc1ccc(CCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000463284140 871329667 /nfs/dbraw/zinc/32/96/67/871329667.db2.gz UXSJIWGFBCJRPI-UHFFFAOYSA-N 1 2 391.515 3.624 20 30 GHEDLO CCCCCCCOC(=O)N1Cc2c[nH+]cn2C[C@H](COc2ccccn2)C1 ZINC001194003192 871425594 /nfs/dbraw/zinc/42/55/94/871425594.db2.gz MZULBKPILAOGEY-GOSISDBHSA-N 1 2 386.496 3.896 20 30 GHEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCN(c2cccc3cnccc32)C[C@H]1C ZINC000447388905 871520333 /nfs/dbraw/zinc/52/03/33/871520333.db2.gz XWBOEGAZOJZESX-QZTJIDSGSA-N 1 2 399.498 3.644 20 30 GHEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCN(c2cccc3cnccc32)C[C@H]1C ZINC000447388905 871520345 /nfs/dbraw/zinc/52/03/45/871520345.db2.gz XWBOEGAZOJZESX-QZTJIDSGSA-N 1 2 399.498 3.644 20 30 GHEDLO C[C@@H](c1cccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)c1)[NH+]1CCOCC1 ZINC000540722870 872003892 /nfs/dbraw/zinc/00/38/92/872003892.db2.gz YMAXZQZRYRUVDT-KRWDZBQOSA-N 1 2 375.472 3.887 20 30 GHEDLO N#Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)o1 ZINC000794316480 882688143 /nfs/dbraw/zinc/68/81/43/882688143.db2.gz SEBBVYBJMBLTJW-UHFFFAOYSA-N 1 2 378.259 3.852 20 30 GHEDLO N#Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1C[NH+]1CCCCC1 ZINC001196679577 873279950 /nfs/dbraw/zinc/27/99/50/873279950.db2.gz CDNMOLGTEJUKNM-UHFFFAOYSA-N 1 2 389.908 3.998 20 30 GHEDLO COC(=O)[C@@H](c1ccc(Br)s1)[N@H+](C)CC1CCC(C#N)CC1 ZINC001197086333 873561513 /nfs/dbraw/zinc/56/15/13/873561513.db2.gz FACPMKWOPXUWNJ-KOHJWAIASA-N 1 2 385.327 3.986 20 30 GHEDLO COC(=O)[C@@H](c1ccc(Br)s1)[N@@H+](C)CC1CCC(C#N)CC1 ZINC001197086333 873561519 /nfs/dbraw/zinc/56/15/19/873561519.db2.gz FACPMKWOPXUWNJ-KOHJWAIASA-N 1 2 385.327 3.986 20 30 GHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)c1C ZINC001197315982 873703446 /nfs/dbraw/zinc/70/34/46/873703446.db2.gz LZFKJJCTISWAKK-VXKWHMMOSA-N 1 2 388.515 3.513 20 30 GHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)c1C ZINC001197315982 873703452 /nfs/dbraw/zinc/70/34/52/873703452.db2.gz LZFKJJCTISWAKK-VXKWHMMOSA-N 1 2 388.515 3.513 20 30 GHEDLO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc1Cl ZINC001198361978 874373537 /nfs/dbraw/zinc/37/35/37/874373537.db2.gz FUAGIZFQZOUPIB-APWZRJJASA-N 1 2 391.862 3.938 20 30 GHEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cc(F)c(C(F)(F)F)cc3F)C2)nc1 ZINC000428815981 874594890 /nfs/dbraw/zinc/59/48/90/874594890.db2.gz WISCXICEOMWDDR-ZDUSSCGKSA-N 1 2 383.320 3.904 20 30 GHEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cc(F)c(C(F)(F)F)cc3F)C2)nc1 ZINC000428815981 874594900 /nfs/dbraw/zinc/59/49/00/874594900.db2.gz WISCXICEOMWDDR-ZDUSSCGKSA-N 1 2 383.320 3.904 20 30 GHEDLO C[N@H+](CCOCc1ccccc1)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000464846379 874629048 /nfs/dbraw/zinc/62/90/48/874629048.db2.gz APJCKICYUPUMJO-UHFFFAOYSA-N 1 2 375.472 3.886 20 30 GHEDLO C[N@@H+](CCOCc1ccccc1)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000464846379 874629055 /nfs/dbraw/zinc/62/90/55/874629055.db2.gz APJCKICYUPUMJO-UHFFFAOYSA-N 1 2 375.472 3.886 20 30 GHEDLO C[NH+](C)Cc1nc(CSCCNc2ccc(OCCC#N)cc2)cs1 ZINC001168108930 874811406 /nfs/dbraw/zinc/81/14/06/874811406.db2.gz SEINPFRCQIUUIW-UHFFFAOYSA-N 1 2 376.551 3.842 20 30 GHEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)c2ccc(Oc3ccccc3)cc2)CC1 ZINC000772134073 875720623 /nfs/dbraw/zinc/72/06/23/875720623.db2.gz RAVGRMRBONACNL-UHFFFAOYSA-N 1 2 377.440 3.550 20 30 GHEDLO COc1ccc(C#N)cc1Nc1cc(I)c2[nH+]ccn2c1 ZINC001201582064 875764011 /nfs/dbraw/zinc/76/40/11/875764011.db2.gz KNJWSKOPXLQMBC-UHFFFAOYSA-N 1 2 390.184 3.563 20 30 GHEDLO Cc1noc(C)c1C[NH+](CCOc1ccccc1C#N)Cc1c(C)noc1C ZINC000609915803 877181432 /nfs/dbraw/zinc/18/14/32/877181432.db2.gz TXYCWUVGKWLOKS-UHFFFAOYSA-N 1 2 380.448 3.849 20 30 GHEDLO Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCC1CCN(c2cccc[nH+]2)CC1 ZINC000851398256 877660907 /nfs/dbraw/zinc/66/09/07/877660907.db2.gz RMNVPXVGPZRXQT-UHFFFAOYSA-N 1 2 390.443 3.719 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c(Br)c1 ZINC000451289682 877726143 /nfs/dbraw/zinc/72/61/43/877726143.db2.gz XZEKHCGFQMNTSD-PKOBYXMFSA-N 1 2 389.268 3.621 20 30 GHEDLO N#Cc1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c(Br)c1 ZINC000451289682 877726159 /nfs/dbraw/zinc/72/61/59/877726159.db2.gz XZEKHCGFQMNTSD-PKOBYXMFSA-N 1 2 389.268 3.621 20 30 GHEDLO Cc1cc(NC(=O)[C@@H](C)O[NH+]=C(N)c2ccc(F)cc2)ccc1Br ZINC000852297516 878208770 /nfs/dbraw/zinc/20/87/70/878208770.db2.gz JTTRZQFXCWMFGU-LLVKDONJSA-N 1 2 394.244 3.561 20 30 GHEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)C1 ZINC000852319586 878235456 /nfs/dbraw/zinc/23/54/56/878235456.db2.gz PTVBRKNNIQTLCL-MRXNPFEDSA-N 1 2 394.450 3.642 20 30 GHEDLO N#CC[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)C1 ZINC000852319586 878235468 /nfs/dbraw/zinc/23/54/68/878235468.db2.gz PTVBRKNNIQTLCL-MRXNPFEDSA-N 1 2 394.450 3.642 20 30 GHEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000852333060 878251428 /nfs/dbraw/zinc/25/14/28/878251428.db2.gz YNMTYABZSZKTCZ-UYAOXDASSA-N 1 2 389.421 3.561 20 30 GHEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000852333060 878251446 /nfs/dbraw/zinc/25/14/46/878251446.db2.gz YNMTYABZSZKTCZ-UYAOXDASSA-N 1 2 389.421 3.561 20 30 GHEDLO C=CCOc1cc(OC)ccc1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000138399211 878335759 /nfs/dbraw/zinc/33/57/59/878335759.db2.gz MXVMRRUSEQDEMX-UHFFFAOYSA-N 1 2 387.505 3.955 20 30 GHEDLO CCO[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000122614934 878456535 /nfs/dbraw/zinc/45/65/35/878456535.db2.gz VVIWRBFWXKOJSN-GJZGRUSLSA-N 1 2 375.538 3.717 20 30 GHEDLO CCO[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000122614934 878456541 /nfs/dbraw/zinc/45/65/41/878456541.db2.gz VVIWRBFWXKOJSN-GJZGRUSLSA-N 1 2 375.538 3.717 20 30 GHEDLO C=CCCOCCNC(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538041743 878746227 /nfs/dbraw/zinc/74/62/27/878746227.db2.gz NONZPVOVOFAIGF-MSOLQXFVSA-N 1 2 383.895 3.506 20 30 GHEDLO C=CCCOCCNC(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538041743 878746241 /nfs/dbraw/zinc/74/62/41/878746241.db2.gz NONZPVOVOFAIGF-MSOLQXFVSA-N 1 2 383.895 3.506 20 30 GHEDLO OC1CCN(c2ccc(C=[NH+]NC(=S)Nc3cccc(Cl)c3)cc2)CC1 ZINC000853270713 878944297 /nfs/dbraw/zinc/94/42/97/878944297.db2.gz IXSXTOIVDSHIJS-UHFFFAOYSA-N 1 2 388.924 3.622 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)c1C ZINC000178051778 878972271 /nfs/dbraw/zinc/97/22/71/878972271.db2.gz AIGZKVHHUDVRIA-FQEVSTJZSA-N 1 2 393.531 3.616 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)c1C ZINC000178051778 878972286 /nfs/dbraw/zinc/97/22/86/878972286.db2.gz AIGZKVHHUDVRIA-FQEVSTJZSA-N 1 2 393.531 3.616 20 30 GHEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(-c3ccccc3C(=O)OC)o2)n1 ZINC000789761756 879242571 /nfs/dbraw/zinc/24/25/71/879242571.db2.gz GUJYEWPCNSHBPF-UHFFFAOYSA-N 1 2 377.444 3.585 20 30 GHEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(-c3ccccc3C(=O)OC)o2)n1 ZINC000789761756 879242590 /nfs/dbraw/zinc/24/25/90/879242590.db2.gz GUJYEWPCNSHBPF-UHFFFAOYSA-N 1 2 377.444 3.585 20 30 GHEDLO N#Cc1ccc(S(=O)(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c(F)c1 ZINC000790421794 879703262 /nfs/dbraw/zinc/70/32/62/879703262.db2.gz HELVDNGUGZDTFL-UHFFFAOYSA-N 1 2 397.431 3.665 20 30 GHEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000791623082 880548205 /nfs/dbraw/zinc/54/82/05/880548205.db2.gz FYZDGVMUQKMBNW-VQTJNVASSA-N 1 2 391.849 3.534 20 30 GHEDLO N#CC1CC[NH+](CC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)CC1 ZINC000057873731 881127389 /nfs/dbraw/zinc/12/73/89/881127389.db2.gz BMCDBKXZZYVJOR-OAQYLSRUSA-N 1 2 386.499 3.652 20 30 GHEDLO CCC1(CC)C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC[S@]1=O ZINC000187557012 881228417 /nfs/dbraw/zinc/22/84/17/881228417.db2.gz LTVPLANKEAUGMW-HHHXNRCGSA-N 1 2 384.549 3.587 20 30 GHEDLO CCC1(CC)C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC[S@]1=O ZINC000187557012 881228424 /nfs/dbraw/zinc/22/84/24/881228424.db2.gz LTVPLANKEAUGMW-HHHXNRCGSA-N 1 2 384.549 3.587 20 30 GHEDLO C=CC[N@@H+](Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1)Cc1ccccc1 ZINC000135120334 883216736 /nfs/dbraw/zinc/21/67/36/883216736.db2.gz FHYVXMKFAUNECI-UHFFFAOYSA-N 1 2 395.459 3.951 20 30 GHEDLO C=CC[N@H+](Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1)Cc1ccccc1 ZINC000135120334 883216752 /nfs/dbraw/zinc/21/67/52/883216752.db2.gz FHYVXMKFAUNECI-UHFFFAOYSA-N 1 2 395.459 3.951 20 30 GHEDLO Cc1cccn2cc(CC(=O)NC3CCC(Oc4ccccc4C#N)CC3)[nH+]c12 ZINC000609508534 883306212 /nfs/dbraw/zinc/30/62/12/883306212.db2.gz HSLCQHFRIILSJB-UHFFFAOYSA-N 1 2 388.471 3.563 20 30 GHEDLO C#C[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Cl)cc1F ZINC000805003440 883548387 /nfs/dbraw/zinc/54/83/87/883548387.db2.gz PNRUEYDLYSWTLA-IBGZPJMESA-N 1 2 382.826 3.839 20 30 GHEDLO C=C(C)[C@@H](NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccc(F)c(F)c1 ZINC000185844240 883593089 /nfs/dbraw/zinc/59/30/89/883593089.db2.gz FRPNWADKPGUFTF-MGPUTAFESA-N 1 2 388.462 3.980 20 30 GHEDLO N#Cc1cccc([C@H]2C[N@H+](CCC(=O)N[C@@H]3CCCc4ccccc43)CCO2)c1 ZINC000761758973 884062142 /nfs/dbraw/zinc/06/21/42/884062142.db2.gz UXBDSFFHTYPCPB-DHIUTWEWSA-N 1 2 389.499 3.515 20 30 GHEDLO N#Cc1cccc([C@H]2C[N@@H+](CCC(=O)N[C@@H]3CCCc4ccccc43)CCO2)c1 ZINC000761758973 884062158 /nfs/dbraw/zinc/06/21/58/884062158.db2.gz UXBDSFFHTYPCPB-DHIUTWEWSA-N 1 2 389.499 3.515 20 30 GHEDLO C[N@H+](Cc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1)Cc1cc(C#N)cs1 ZINC000897624448 884186634 /nfs/dbraw/zinc/18/66/34/884186634.db2.gz KPAPUQFFMIKGOI-UHFFFAOYSA-N 1 2 390.509 4.000 20 30 GHEDLO C[N@@H+](Cc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1)Cc1cc(C#N)cs1 ZINC000897624448 884186642 /nfs/dbraw/zinc/18/66/42/884186642.db2.gz KPAPUQFFMIKGOI-UHFFFAOYSA-N 1 2 390.509 4.000 20 30 GHEDLO Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc3[nH+]ccn32)cc1C ZINC000465462536 884324877 /nfs/dbraw/zinc/32/48/77/884324877.db2.gz DRPYPYSKUAVIIL-UHFFFAOYSA-N 1 2 384.443 3.981 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC001183831162 912835891 /nfs/dbraw/zinc/83/58/91/912835891.db2.gz LSCQXEFTAUTEGW-XZOQPEGZSA-N 1 2 389.499 3.513 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC001183831162 912835911 /nfs/dbraw/zinc/83/59/11/912835911.db2.gz LSCQXEFTAUTEGW-XZOQPEGZSA-N 1 2 389.499 3.513 20 30 GHEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000806641014 884890861 /nfs/dbraw/zinc/89/08/61/884890861.db2.gz GDGDNLDYRMBUPD-UHFFFAOYSA-N 1 2 385.512 3.772 20 30 GHEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(Br)ccc1OC ZINC001275272856 912914147 /nfs/dbraw/zinc/91/41/47/912914147.db2.gz WBGVOJVFYGSBQL-LJQANCHMSA-N 1 2 393.325 3.601 20 30 GHEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Br)ccc1OC ZINC001275272856 912914162 /nfs/dbraw/zinc/91/41/62/912914162.db2.gz WBGVOJVFYGSBQL-LJQANCHMSA-N 1 2 393.325 3.601 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000042857909 885563733 /nfs/dbraw/zinc/56/37/33/885563733.db2.gz RJGFIFKZBYUSRS-AWEZNQCLSA-N 1 2 393.512 3.930 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000042857909 885563739 /nfs/dbraw/zinc/56/37/39/885563739.db2.gz RJGFIFKZBYUSRS-AWEZNQCLSA-N 1 2 393.512 3.930 20 30 GHEDLO COc1ccc(NC(=O)C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cc1Cl ZINC000104715290 885573850 /nfs/dbraw/zinc/57/38/50/885573850.db2.gz UGAVNMBQIBUJNG-UHFFFAOYSA-N 1 2 399.878 3.702 20 30 GHEDLO Cc1ccc(F)cc1NC(=O)[C@H](C)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104713352 885575810 /nfs/dbraw/zinc/57/58/10/885575810.db2.gz KFZOLDQVAODVPQ-INIZCTEOSA-N 1 2 381.451 3.876 20 30 GHEDLO Cn1ncc(C(=O)OC(C)(C)C)c1C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001184045047 912982322 /nfs/dbraw/zinc/98/23/22/912982322.db2.gz IHTCHTUULUIMEN-UHFFFAOYSA-N 1 2 380.492 3.627 20 30 GHEDLO COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H](Oc2ccccc2C#N)C(C)C)c1C ZINC000195007336 886079182 /nfs/dbraw/zinc/07/91/82/886079182.db2.gz IYJYMYOOQUCWAD-FQEVSTJZSA-N 1 2 381.476 3.641 20 30 GHEDLO C=CCn1c(C)cc(C(=O)CN2CC[NH+](C/C=C\c3ccccc3)CC2)c1C ZINC000532557896 886110949 /nfs/dbraw/zinc/11/09/49/886110949.db2.gz HOYPQNXLCWEWFP-FLIBITNWSA-N 1 2 377.532 3.805 20 30 GHEDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N(O)CCCCc1ccccc1 ZINC001184293272 913143479 /nfs/dbraw/zinc/14/34/79/913143479.db2.gz MHHVDTIFJYQKEF-UHFFFAOYSA-N 1 2 380.404 3.635 20 30 GHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)OCc1ccc(Cl)cc1C#N ZINC000796014412 913202547 /nfs/dbraw/zinc/20/25/47/913202547.db2.gz NOLSGBLWALOSHY-UHFFFAOYSA-N 1 2 375.762 3.891 20 30 GHEDLO CC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1ccccc1OCC(=O)N(C)C ZINC000866237048 888791260 /nfs/dbraw/zinc/79/12/60/888791260.db2.gz DNTWGYQHKGWEEC-BEFAXECRSA-N 1 2 381.476 3.533 20 30 GHEDLO CCOCCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000867679956 889125933 /nfs/dbraw/zinc/12/59/33/889125933.db2.gz SIIBBLTXDYCFIO-UHFFFAOYSA-N 1 2 387.505 3.505 20 30 GHEDLO N#Cc1ccc(COC(=O)Cc2c[nH+]cn2Cc2ccccc2)c(OC(F)F)c1 ZINC000811326287 889443483 /nfs/dbraw/zinc/44/34/83/889443483.db2.gz ASLNXBVJUOJATJ-UHFFFAOYSA-N 1 2 397.381 3.690 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000454727686 889630429 /nfs/dbraw/zinc/63/04/29/889630429.db2.gz KZNYFJXVGZVZFG-MZTNWIODSA-N 1 2 378.879 3.606 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000454727686 889630440 /nfs/dbraw/zinc/63/04/40/889630440.db2.gz KZNYFJXVGZVZFG-MZTNWIODSA-N 1 2 378.879 3.606 20 30 GHEDLO Cc1cc(Sc2nnc([C@@H](C)[NH+](C)C)n2-c2ccc(F)cc2)ncc1C#N ZINC001184687908 913388469 /nfs/dbraw/zinc/38/84/69/913388469.db2.gz DEEIVVOPWJXBGY-CYBMUJFWSA-N 1 2 382.468 3.755 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)cc1Cl ZINC000533342564 890329033 /nfs/dbraw/zinc/32/90/33/890329033.db2.gz VAVVRLNJXYLQOB-UHFFFAOYSA-N 1 2 391.862 3.816 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)cc1Cl ZINC000533342564 890329045 /nfs/dbraw/zinc/32/90/45/890329045.db2.gz VAVVRLNJXYLQOB-UHFFFAOYSA-N 1 2 391.862 3.816 20 30 GHEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)CN1C[C@H](c2cccc(Cl)c2)CC1=O ZINC000812280314 890499972 /nfs/dbraw/zinc/49/99/72/890499972.db2.gz DHIWSFRIZPHJOU-HXUWFJFHSA-N 1 2 397.906 3.634 20 30 GHEDLO COCC[N@H+](Cc1ccc(C#N)cc1)CN1C[C@H](c2cccc(Cl)c2)CC1=O ZINC000812280314 890499980 /nfs/dbraw/zinc/49/99/80/890499980.db2.gz DHIWSFRIZPHJOU-HXUWFJFHSA-N 1 2 397.906 3.634 20 30 GHEDLO N#CC[C@@H](C(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1)c1ccccc1 ZINC001133232676 890507564 /nfs/dbraw/zinc/50/75/64/890507564.db2.gz AWFJDFQFRDTFJA-JOCHJYFZSA-N 1 2 384.483 3.902 20 30 GHEDLO CCN(C[C@@H](C)C#N)C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000126913769 890815856 /nfs/dbraw/zinc/81/58/56/890815856.db2.gz MSOVQRYNKJGXNQ-WMLDXEAASA-N 1 2 378.314 3.594 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000247209594 891355103 /nfs/dbraw/zinc/35/51/03/891355103.db2.gz RNICHJSBCUGZKP-HZPDHXFCSA-N 1 2 383.521 3.622 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000247209594 891355112 /nfs/dbraw/zinc/35/51/12/891355112.db2.gz RNICHJSBCUGZKP-HZPDHXFCSA-N 1 2 383.521 3.622 20 30 GHEDLO C[N@H+](CCOc1ccccc1C#N)CC(=O)Nc1c(Cl)cccc1Cl ZINC000497593551 891950026 /nfs/dbraw/zinc/95/00/26/891950026.db2.gz DRFYUGJJFSRHGB-UHFFFAOYSA-N 1 2 378.259 3.814 20 30 GHEDLO C[N@@H+](CCOc1ccccc1C#N)CC(=O)Nc1c(Cl)cccc1Cl ZINC000497593551 891950031 /nfs/dbraw/zinc/95/00/31/891950031.db2.gz DRFYUGJJFSRHGB-UHFFFAOYSA-N 1 2 378.259 3.814 20 30 GHEDLO C=CC[N@H+](Cc1ccc(OC)cc1)Cn1c(C)c(C)n(CCOC)c1=S ZINC000917484565 892052155 /nfs/dbraw/zinc/05/21/55/892052155.db2.gz ALFCIHMDAHPWNY-UHFFFAOYSA-N 1 2 375.538 3.937 20 30 GHEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)Cn1c(C)c(C)n(CCOC)c1=S ZINC000917484565 892052173 /nfs/dbraw/zinc/05/21/73/892052173.db2.gz ALFCIHMDAHPWNY-UHFFFAOYSA-N 1 2 375.538 3.937 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)c2cscc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000497723031 892266638 /nfs/dbraw/zinc/26/66/38/892266638.db2.gz QCRNGRHXKUBNDW-DLBZAZTESA-N 1 2 377.872 3.978 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)c2cscc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000497723031 892266649 /nfs/dbraw/zinc/26/66/49/892266649.db2.gz QCRNGRHXKUBNDW-DLBZAZTESA-N 1 2 377.872 3.978 20 30 GHEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000876206774 893016613 /nfs/dbraw/zinc/01/66/13/893016613.db2.gz NPRPYQHRQAOHEV-NRFANRHFSA-N 1 2 381.524 3.738 20 30 GHEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000876206774 893016632 /nfs/dbraw/zinc/01/66/32/893016632.db2.gz NPRPYQHRQAOHEV-NRFANRHFSA-N 1 2 381.524 3.738 20 30 GHEDLO N#Cc1ccc(N2CC[C@@H]([NH+]3CCC(=Cc4cccc(F)c4)CC3)C2=O)cc1 ZINC000533826979 893150370 /nfs/dbraw/zinc/15/03/70/893150370.db2.gz ZALDZBAWWFINMO-JOCHJYFZSA-N 1 2 375.447 3.982 20 30 GHEDLO CN(C)c1ncc(C=[NH+]Nc2ccc(Br)cc2C(F)(F)F)cn1 ZINC000814843856 893233399 /nfs/dbraw/zinc/23/33/99/893233399.db2.gz RHQWDQPPOAKGLU-UHFFFAOYSA-N 1 2 388.191 3.770 20 30 GHEDLO CC(=NNC1=[NH+]C[C@@H](C)N1)c1sc(-c2ccccc2Br)nc1C ZINC000814898743 893262709 /nfs/dbraw/zinc/26/27/09/893262709.db2.gz VHQBYOVSPQSJSX-SECBINFHSA-N 1 2 392.326 3.542 20 30 GHEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 ZINC000563485826 893802271 /nfs/dbraw/zinc/80/22/71/893802271.db2.gz LCZOHUPPQWOELP-OAHLLOKOSA-N 1 2 388.431 3.500 20 30 GHEDLO CC(=O)[C@@](C#N)(CCN1CCC[N@H+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000877916019 893892116 /nfs/dbraw/zinc/89/21/16/893892116.db2.gz UXTNXXPAGVDWGK-DEOSSOPVSA-N 1 2 393.506 3.774 20 30 GHEDLO CC(=O)[C@@](C#N)(CCN1CCC[N@@H+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000877916019 893892133 /nfs/dbraw/zinc/89/21/33/893892133.db2.gz UXTNXXPAGVDWGK-DEOSSOPVSA-N 1 2 393.506 3.774 20 30 GHEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459628666 893927415 /nfs/dbraw/zinc/92/74/15/893927415.db2.gz GCYLQCDGEMMSIH-MRXNPFEDSA-N 1 2 383.370 3.647 20 30 GHEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459628666 893927427 /nfs/dbraw/zinc/92/74/27/893927427.db2.gz GCYLQCDGEMMSIH-MRXNPFEDSA-N 1 2 383.370 3.647 20 30 GHEDLO Cn1cc(CN(CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)cc1C#N ZINC000564313527 894852758 /nfs/dbraw/zinc/85/27/58/894852758.db2.gz XPZWASIIJZHJJC-UHFFFAOYSA-N 1 2 385.874 3.978 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3cc(C(C)C)n[nH]3)C2)c(C#N)c1C ZINC000879919894 895403544 /nfs/dbraw/zinc/40/35/44/895403544.db2.gz UJASWJNDHOJTJX-HOCLYGCPSA-N 1 2 383.496 3.821 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](c3cc(C(C)C)n[nH]3)C2)c(C#N)c1C ZINC000879919894 895403553 /nfs/dbraw/zinc/40/35/53/895403553.db2.gz UJASWJNDHOJTJX-HOCLYGCPSA-N 1 2 383.496 3.821 20 30 GHEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@H]2CCOC3(CCCCC3)C2)CC1=O ZINC000128456351 895729511 /nfs/dbraw/zinc/72/95/11/895729511.db2.gz MLUXCGYUARVAKD-INIZCTEOSA-N 1 2 394.519 3.528 20 30 GHEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+](Cc2ccc3ccccc3c2)C2CC2)nc1 ZINC000565780349 895870806 /nfs/dbraw/zinc/87/08/06/895870806.db2.gz ZULVPKJHOIJNAG-UHFFFAOYSA-N 1 2 391.496 3.545 20 30 GHEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+](Cc2ccc3ccccc3c2)C2CC2)nc1 ZINC000565780349 895870813 /nfs/dbraw/zinc/87/08/13/895870813.db2.gz ZULVPKJHOIJNAG-UHFFFAOYSA-N 1 2 391.496 3.545 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000819202183 896475439 /nfs/dbraw/zinc/47/54/39/896475439.db2.gz GMZWNXUKIQAEDN-INIZCTEOSA-N 1 2 383.452 3.602 20 30 GHEDLO Cc1cc(OCc2cccc(Cl)c2)ccc1NC[C@@H](O)C[N@H+](C)CCC#N ZINC000819434536 896665107 /nfs/dbraw/zinc/66/51/07/896665107.db2.gz PTCQWXQDXDTFBD-LJQANCHMSA-N 1 2 387.911 3.846 20 30 GHEDLO Cc1cc(OCc2cccc(Cl)c2)ccc1NC[C@@H](O)C[N@@H+](C)CCC#N ZINC000819434536 896665117 /nfs/dbraw/zinc/66/51/17/896665117.db2.gz PTCQWXQDXDTFBD-LJQANCHMSA-N 1 2 387.911 3.846 20 30 GHEDLO C=C(C)CN1C[C@@]2(F)C[N@H+](C[C@@H]3C[C@@H]3c3ccc(Cl)cc3)C[C@@]2(F)C1=O ZINC001275477164 914154538 /nfs/dbraw/zinc/15/45/38/914154538.db2.gz GZPLTWNZRDXOBJ-MFHCWRBVSA-N 1 2 380.866 3.594 20 30 GHEDLO C=C(C)CN1C[C@@]2(F)C[N@@H+](C[C@@H]3C[C@@H]3c3ccc(Cl)cc3)C[C@@]2(F)C1=O ZINC001275477164 914154544 /nfs/dbraw/zinc/15/45/44/914154544.db2.gz GZPLTWNZRDXOBJ-MFHCWRBVSA-N 1 2 380.866 3.594 20 30 GHEDLO N#CCCC1CC[NH+](CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)CC1 ZINC000569599421 898818061 /nfs/dbraw/zinc/81/80/61/898818061.db2.gz SWNDGCFFNJVZED-UHFFFAOYSA-N 1 2 379.386 3.536 20 30 GHEDLO C#CCCOc1ccc(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)cc1 ZINC000823118411 898857989 /nfs/dbraw/zinc/85/79/89/898857989.db2.gz YMEOEVGESOUDHG-SFHVURJKSA-N 1 2 378.472 3.734 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c(C(F)(F)F)c1 ZINC000570735914 899546037 /nfs/dbraw/zinc/54/60/37/899546037.db2.gz GKLNRJQNEXDJNW-UHFFFAOYSA-N 1 2 390.365 3.807 20 30 GHEDLO C[C@H](c1ccco1)[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CC1 ZINC000119158936 899548952 /nfs/dbraw/zinc/54/89/52/899548952.db2.gz BTUTVBSHLMUFNX-OAHLLOKOSA-N 1 2 375.432 3.501 20 30 GHEDLO C[C@H](c1ccco1)[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CC1 ZINC000119158936 899548967 /nfs/dbraw/zinc/54/89/67/899548967.db2.gz BTUTVBSHLMUFNX-OAHLLOKOSA-N 1 2 375.432 3.501 20 30 GHEDLO C=CCOc1ccc(-c2nnc(SCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)o2)cc1 ZINC000572424504 900181327 /nfs/dbraw/zinc/18/13/27/900181327.db2.gz JBBPTFWVQUSXCC-GASCZTMLSA-N 1 2 375.494 3.503 20 30 GHEDLO C=CCOc1ccc(-c2nnc(SCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)o2)cc1 ZINC000572424504 900181331 /nfs/dbraw/zinc/18/13/31/900181331.db2.gz JBBPTFWVQUSXCC-GASCZTMLSA-N 1 2 375.494 3.503 20 30 GHEDLO N#Cc1c(NC(=O)C[N@H+]2CCC[C@]3(CC3(F)F)C2)sc2c1CCCCC2 ZINC000844436771 900857099 /nfs/dbraw/zinc/85/70/99/900857099.db2.gz IMTDCOIHVZCDFN-SFHVURJKSA-N 1 2 379.476 3.948 20 30 GHEDLO N#Cc1c(NC(=O)C[N@@H+]2CCC[C@]3(CC3(F)F)C2)sc2c1CCCCC2 ZINC000844436771 900857107 /nfs/dbraw/zinc/85/71/07/900857107.db2.gz IMTDCOIHVZCDFN-SFHVURJKSA-N 1 2 379.476 3.948 20 30 GHEDLO N#CCCn1cc(C(=O)C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c2ccccc21 ZINC000290073722 914508760 /nfs/dbraw/zinc/50/87/60/914508760.db2.gz YMRCKELWPJBTRH-INIZCTEOSA-N 1 2 381.867 3.535 20 30 GHEDLO N#CCCn1cc(C(=O)C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)c2ccccc21 ZINC000290073722 914508772 /nfs/dbraw/zinc/50/87/72/914508772.db2.gz YMRCKELWPJBTRH-INIZCTEOSA-N 1 2 381.867 3.535 20 30 GHEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3cn(CCCC#N)c4ccccc34)n2)C1 ZINC000576384932 901988685 /nfs/dbraw/zinc/98/86/85/901988685.db2.gz UYMULXHPWRRDML-IBGZPJMESA-N 1 2 379.464 3.777 20 30 GHEDLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3cn(CCCC#N)c4ccccc34)n2)C1 ZINC000576384932 901988696 /nfs/dbraw/zinc/98/86/96/901988696.db2.gz UYMULXHPWRRDML-IBGZPJMESA-N 1 2 379.464 3.777 20 30 GHEDLO N#Cc1cccc(C2CC[NH+](Cc3cc(I)c[nH]3)CC2)c1 ZINC001144400934 902016434 /nfs/dbraw/zinc/01/64/34/902016434.db2.gz MGXOKCUXWAAAAV-UHFFFAOYSA-N 1 2 391.256 3.871 20 30 GHEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2cc(Cl)cc3cccnc32)CC1 ZINC000047461903 902028703 /nfs/dbraw/zinc/02/87/03/902028703.db2.gz JNVSEYXNFBNIDA-UHFFFAOYSA-N 1 2 393.878 3.947 20 30 GHEDLO CC[C@H](CC#N)[NH2+][C@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O ZINC000576596153 902115303 /nfs/dbraw/zinc/11/53/03/902115303.db2.gz SHUKNUGUFMUSPS-CVEARBPZSA-N 1 2 378.314 3.843 20 30 GHEDLO CCCCn1c(SC[C@@H](O)c2ccc(C#N)cc2)nnc1[C@@H](CC)[NH+](C)C ZINC000126717540 902357011 /nfs/dbraw/zinc/35/70/11/902357011.db2.gz WDZJWLARLUBCEP-QZTJIDSGSA-N 1 2 387.553 3.788 20 30 GHEDLO C[C@H](c1cccc(NC(=O)/C=C/c2ccc(OCC#N)cc2)c1)[NH+]1CCOCC1 ZINC000264194712 902909141 /nfs/dbraw/zinc/90/91/41/902909141.db2.gz GQYVRTLKZRUMAS-RUJXFNLJSA-N 1 2 391.471 3.634 20 30 GHEDLO Cc1cc(C#N)ccc1NC1CC[NH+]([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000846753239 903192312 /nfs/dbraw/zinc/19/23/12/903192312.db2.gz QAUAITARODGROQ-KRWDZBQOSA-N 1 2 397.544 3.908 20 30 GHEDLO C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCOc1cc[nH+]cc1 ZINC001146432425 903539235 /nfs/dbraw/zinc/53/92/35/903539235.db2.gz VVDXBYVTVLVMIG-SFHVURJKSA-N 1 2 391.512 3.606 20 30 GHEDLO CCOC(=O)[C@H]1c2ccc(OC)cc2CC[N@@H+]1[C@H](C)Cc1ccc(C#N)cc1 ZINC001172318194 905471086 /nfs/dbraw/zinc/47/10/86/905471086.db2.gz ZUUCROKXLMLSOQ-OPAMFIHVSA-N 1 2 378.472 3.660 20 30 GHEDLO CCOC(=O)[C@H]1c2ccc(OC)cc2CC[N@H+]1[C@H](C)Cc1ccc(C#N)cc1 ZINC001172318194 905471091 /nfs/dbraw/zinc/47/10/91/905471091.db2.gz ZUUCROKXLMLSOQ-OPAMFIHVSA-N 1 2 378.472 3.660 20 30 GHEDLO N#CCOc1cccc(CC(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1 ZINC000179404959 906495444 /nfs/dbraw/zinc/49/54/44/906495444.db2.gz FVVYPCDLQANMNB-UHFFFAOYSA-N 1 2 386.455 3.970 20 30 GHEDLO COc1cc(C)c([C@@H](C)[NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)cc1OC ZINC000179620462 906543988 /nfs/dbraw/zinc/54/39/88/906543988.db2.gz OMZOMWHFFTXEPC-CQSZACIVSA-N 1 2 378.432 3.785 20 30 GHEDLO C[C@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1ncc(-c2ccccc2)o1 ZINC000299426506 921309096 /nfs/dbraw/zinc/30/90/96/921309096.db2.gz UXCPWHNUPVIDOE-XJKSGUPXSA-N 1 2 378.457 3.731 20 30 GHEDLO N#Cc1cc(I)ccc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175350462 907510983 /nfs/dbraw/zinc/51/09/83/907510983.db2.gz YRBURVLQYWBMNC-UHFFFAOYSA-N 1 2 390.228 3.902 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(Nc3cc(F)cc(C#N)c3)c[nH+]2)C1 ZINC001175682076 907692165 /nfs/dbraw/zinc/69/21/65/907692165.db2.gz CQBFWIWEVLHSJT-QGZVFWFLSA-N 1 2 397.454 3.939 20 30 GHEDLO C#Cc1cccc(Nc2ccc[nH+]c2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001175974535 907847511 /nfs/dbraw/zinc/84/75/11/907847511.db2.gz YBPYNYYALZJQPJ-GOSISDBHSA-N 1 2 378.476 3.910 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[NH+](Cc2ccc(Nc3cncc(C#N)c3)cc2)CC1 ZINC001176039754 907899652 /nfs/dbraw/zinc/89/96/52/907899652.db2.gz IIPJZLALDNCHKD-UHFFFAOYSA-N 1 2 393.491 3.750 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)cc1 ZINC000267635878 909571304 /nfs/dbraw/zinc/57/13/04/909571304.db2.gz UJIFVJYJCZVKGS-UHFFFAOYSA-N 1 2 378.388 3.651 20 30 GHEDLO C[C@@H]1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1n1cc[nH+]c1 ZINC000268420307 909871109 /nfs/dbraw/zinc/87/11/09/909871109.db2.gz VVTRUGHALFPXQG-MLGOLLRUSA-N 1 2 377.370 3.889 20 30 GHEDLO CON=Cc1ccc(C(=O)NCCc2cn(Cc3ccc(Cl)cc3)c[nH+]2)cc1 ZINC001181348044 910741298 /nfs/dbraw/zinc/74/12/98/910741298.db2.gz FBLDRCQJLLIEIP-UHFFFAOYSA-N 1 2 396.878 3.538 20 30 GHEDLO CN(C(=O)CNc1cccc2c1CN(c1cccc[nH+]1)C2)C1(C#N)CCCCC1 ZINC000271082421 910776803 /nfs/dbraw/zinc/77/68/03/910776803.db2.gz RNBPIJXMUMLCQL-UHFFFAOYSA-N 1 2 389.503 3.699 20 30 GHEDLO Cn1c(CC#N)nn(C[N@@H+](Cc2ccccc2C(F)(F)F)CC2CC2)c1=S ZINC000795646833 911693629 /nfs/dbraw/zinc/69/36/29/911693629.db2.gz GVRZGLBPMYBWGY-UHFFFAOYSA-N 1 2 395.454 3.906 20 30 GHEDLO Cn1c(CC#N)nn(C[N@H+](Cc2ccccc2C(F)(F)F)CC2CC2)c1=S ZINC000795646833 911693632 /nfs/dbraw/zinc/69/36/32/911693632.db2.gz GVRZGLBPMYBWGY-UHFFFAOYSA-N 1 2 395.454 3.906 20 30 GHEDLO CCCCCCCCS(=O)(=O)NCc1c[nH+]cn1Cc1ccc(OC)cc1 ZINC001188029946 915721941 /nfs/dbraw/zinc/72/19/41/915721941.db2.gz AJQLZAFMLDAPPD-UHFFFAOYSA-N 1 2 393.553 3.720 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+]2Cc2cc(F)ccc2Br)C1=O ZINC001275723096 916393312 /nfs/dbraw/zinc/39/33/12/916393312.db2.gz XILMFIQLBYOOJH-GOSISDBHSA-N 1 2 381.289 3.731 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2cc(F)ccc2Br)C1=O ZINC001275723096 916393331 /nfs/dbraw/zinc/39/33/31/916393331.db2.gz XILMFIQLBYOOJH-GOSISDBHSA-N 1 2 381.289 3.731 20 30 GHEDLO CCCCCCCNC(=O)N1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001191091074 917776814 /nfs/dbraw/zinc/77/68/14/917776814.db2.gz HGCXXRXWUQOHKS-UHFFFAOYSA-N 1 2 377.529 3.626 20 30 GHEDLO CCCCCCCNC(=O)N1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001191091074 917776843 /nfs/dbraw/zinc/77/68/43/917776843.db2.gz HGCXXRXWUQOHKS-UHFFFAOYSA-N 1 2 377.529 3.626 20 30 GHEDLO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](NC(=O)c2ccccc2)C1 ZINC001191182588 917837251 /nfs/dbraw/zinc/83/72/51/917837251.db2.gz PQEQBTSRDVTMRG-IBGZPJMESA-N 1 2 383.879 3.637 20 30 GHEDLO N#CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@H](NC(=O)c2ccccc2)C1 ZINC001191182588 917837259 /nfs/dbraw/zinc/83/72/59/917837259.db2.gz PQEQBTSRDVTMRG-IBGZPJMESA-N 1 2 383.879 3.637 20 30 GHEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000796601331 918790170 /nfs/dbraw/zinc/79/01/70/918790170.db2.gz JVXASOHDBMPVJC-SFHVURJKSA-N 1 2 382.533 3.885 20 30 GHEDLO O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N(O)Cc1cc(Cl)cc(Cl)c1 ZINC000900096694 919839412 /nfs/dbraw/zinc/83/94/12/919839412.db2.gz MMXPYVMVGVOLAK-SFHVURJKSA-N 1 2 395.286 3.612 20 30 GHEDLO O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N(O)Cc1cc(Cl)cc(Cl)c1 ZINC000900096694 919839418 /nfs/dbraw/zinc/83/94/18/919839418.db2.gz MMXPYVMVGVOLAK-SFHVURJKSA-N 1 2 395.286 3.612 20 30 GHEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(Cl)ccc1Br ZINC001275958551 920234950 /nfs/dbraw/zinc/23/49/50/920234950.db2.gz YXQRBYOXHIZLGC-GOSISDBHSA-N 1 2 395.728 3.693 20 30 GHEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Cl)ccc1Br ZINC001275958551 920234963 /nfs/dbraw/zinc/23/49/63/920234963.db2.gz YXQRBYOXHIZLGC-GOSISDBHSA-N 1 2 395.728 3.693 20 30 GHEDLO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)c1 ZINC000298864183 921005363 /nfs/dbraw/zinc/00/53/63/921005363.db2.gz PVIPPPPCPFXNKE-QUCCMNQESA-N 1 2 386.455 3.657 20 30 GHEDLO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)c1 ZINC000298864183 921005388 /nfs/dbraw/zinc/00/53/88/921005388.db2.gz PVIPPPPCPFXNKE-QUCCMNQESA-N 1 2 386.455 3.657 20 30 GHEDLO C=CCn1c2nn(C[N@H+]3CCC[C@@H]3CC(C)C)c(=S)n2c2ccccc2c1=O ZINC000748792367 923830695 /nfs/dbraw/zinc/83/06/95/923830695.db2.gz LLZOCYDUPBQBJC-MRXNPFEDSA-N 1 2 397.548 3.834 20 30 GHEDLO C=CCn1c2nn(C[N@@H+]3CCC[C@@H]3CC(C)C)c(=S)n2c2ccccc2c1=O ZINC000748792367 923830705 /nfs/dbraw/zinc/83/07/05/923830705.db2.gz LLZOCYDUPBQBJC-MRXNPFEDSA-N 1 2 397.548 3.834 20 30 GHEDLO C=CCOC[C@@H]1C[N@@H+](Cc2c[nH]c3ccc(F)cc23)Cc2nnn(CC3CC3)c21 ZINC001137336727 924753663 /nfs/dbraw/zinc/75/36/63/924753663.db2.gz LCGROAHZSOGWFA-KRWDZBQOSA-N 1 2 395.482 3.611 20 30 GHEDLO C=CCOC[C@@H]1C[N@H+](Cc2c[nH]c3ccc(F)cc23)Cc2nnn(CC3CC3)c21 ZINC001137336727 924753668 /nfs/dbraw/zinc/75/36/68/924753668.db2.gz LCGROAHZSOGWFA-KRWDZBQOSA-N 1 2 395.482 3.611 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(c2nccc(C)n2)CC1 ZINC000371833909 924893731 /nfs/dbraw/zinc/89/37/31/924893731.db2.gz FNQALJNNPJHODD-UHFFFAOYSA-N 1 2 382.533 3.881 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2cccc(Br)c2OC)C1=O ZINC001276090207 925515131 /nfs/dbraw/zinc/51/51/31/925515131.db2.gz GKRPXVIQBMXOSC-LJQANCHMSA-N 1 2 393.325 3.601 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+]2Cc2cccc(Br)c2OC)C1=O ZINC001276090207 925515134 /nfs/dbraw/zinc/51/51/34/925515134.db2.gz GKRPXVIQBMXOSC-LJQANCHMSA-N 1 2 393.325 3.601 20 30 GHEDLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cscc1C#N ZINC000410601842 925752080 /nfs/dbraw/zinc/75/20/80/925752080.db2.gz KBBPYZFZWFKGHT-FOIQADDNSA-N 1 2 382.533 3.696 20 30 GHEDLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cscc1C#N ZINC000410601842 925752084 /nfs/dbraw/zinc/75/20/84/925752084.db2.gz KBBPYZFZWFKGHT-FOIQADDNSA-N 1 2 382.533 3.696 20 30 GHEDLO Cc1cc(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000373069100 925841428 /nfs/dbraw/zinc/84/14/28/925841428.db2.gz IHROFJAGSDXBKD-IBGZPJMESA-N 1 2 387.487 3.719 20 30 GHEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 ZINC000373104990 925863200 /nfs/dbraw/zinc/86/32/00/925863200.db2.gz SZTXALNHIAALLB-LJQANCHMSA-N 1 2 385.471 3.626 20 30 GHEDLO C[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)c1nc(C(C)(C)C)no1 ZINC000411531152 926491915 /nfs/dbraw/zinc/49/19/15/926491915.db2.gz JGWZSFNREMXFSI-LLVKDONJSA-N 1 2 375.860 3.572 20 30 GHEDLO Cc1cc(C)cc(OCCO[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)c1 ZINC000726183914 926580507 /nfs/dbraw/zinc/58/05/07/926580507.db2.gz MTLBGCWIFVYMNS-UHFFFAOYSA-N 1 2 391.471 3.993 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411949957 926937945 /nfs/dbraw/zinc/93/79/45/926937945.db2.gz QTFFUNXTWTYVLN-IMFGXOCKSA-N 1 2 395.528 3.827 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411949957 926937950 /nfs/dbraw/zinc/93/79/50/926937950.db2.gz QTFFUNXTWTYVLN-IMFGXOCKSA-N 1 2 395.528 3.827 20 30 GHEDLO C=CC[C@H](Cc1ccccc1)NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000413088183 928188183 /nfs/dbraw/zinc/18/81/83/928188183.db2.gz WMUUUKHLAMXLNO-JOCHJYFZSA-N 1 2 388.515 3.961 20 30 GHEDLO C=CCn1c([C@@H]2COc3ccccc3O2)nn(C[N@H+]2CC[C@@H](C)[C@H]2C)c1=S ZINC000751939058 928495545 /nfs/dbraw/zinc/49/55/45/928495545.db2.gz CQTCLJFBCIXGMT-RKVPGOIHSA-N 1 2 386.521 3.800 20 30 GHEDLO C=CCn1c([C@@H]2COc3ccccc3O2)nn(C[N@@H+]2CC[C@@H](C)[C@H]2C)c1=S ZINC000751939058 928495552 /nfs/dbraw/zinc/49/55/52/928495552.db2.gz CQTCLJFBCIXGMT-RKVPGOIHSA-N 1 2 386.521 3.800 20 30 GHEDLO CCOC(=O)Nc1ccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1C#N ZINC000752200452 928680324 /nfs/dbraw/zinc/68/03/24/928680324.db2.gz REHJCZSAXBJRBV-UHFFFAOYSA-N 1 2 389.415 3.624 20 30 GHEDLO CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(C)[nH+]c2N(C)C)cc1C#N ZINC000752294121 928734916 /nfs/dbraw/zinc/73/49/16/928734916.db2.gz RCRBBUDIZWJXQK-UHFFFAOYSA-N 1 2 382.424 3.540 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000544439962 929184336 /nfs/dbraw/zinc/18/43/36/929184336.db2.gz GGNBTBLIUMAEKY-RYRKJORJSA-N 1 2 389.565 3.606 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000544439962 929184343 /nfs/dbraw/zinc/18/43/43/929184343.db2.gz GGNBTBLIUMAEKY-RYRKJORJSA-N 1 2 389.565 3.606 20 30 GHEDLO Cc1cc(Br)cn2cc(CCNC(=O)C3(C#N)CCCCC3)[nH+]c12 ZINC000544711816 929481474 /nfs/dbraw/zinc/48/14/74/929481474.db2.gz PCWSGYVTVLQHDU-UHFFFAOYSA-N 1 2 389.297 3.538 20 30 GHEDLO O=C(Nc1cccc(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)c1)c1ccccc1Cl ZINC000753935792 929601194 /nfs/dbraw/zinc/60/11/94/929601194.db2.gz PUJDEXIZBFWEAQ-OALUTQOASA-N 1 2 395.894 3.786 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(OCC(F)(F)F)c(F)c2)c1 ZINC000757738750 929787347 /nfs/dbraw/zinc/78/73/47/929787347.db2.gz UQLSSAYZUWWIKF-UHFFFAOYSA-N 1 2 394.368 3.819 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(OCC(F)(F)F)c(F)c2)c1 ZINC000757738750 929787353 /nfs/dbraw/zinc/78/73/53/929787353.db2.gz UQLSSAYZUWWIKF-UHFFFAOYSA-N 1 2 394.368 3.819 20 30 GHEDLO CCCC[C@H](ON=C(C)C)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000758282402 930001395 /nfs/dbraw/zinc/00/13/95/930001395.db2.gz DJNMOTZNVKFBIP-NRFANRHFSA-N 1 2 388.556 3.809 20 30 GHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000471041017 931111652 /nfs/dbraw/zinc/11/16/52/931111652.db2.gz MXLQRMJWIAUMLK-KSFYIVLOSA-N 1 2 394.519 3.645 20 30 GHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000471041017 931111654 /nfs/dbraw/zinc/11/16/54/931111654.db2.gz MXLQRMJWIAUMLK-KSFYIVLOSA-N 1 2 394.519 3.645 20 30 GHEDLO C#CCOc1cccc([C@H](C)OC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)c1 ZINC000796700642 931798909 /nfs/dbraw/zinc/79/89/09/931798909.db2.gz RKQPXQLTCIFDSA-ZDUSSCGKSA-N 1 2 384.382 3.939 20 30 GHEDLO Cc1nn2c(C[NH+]3CCC(C#N)(c4ccccn4)CC3)c(C(C)C)nc2s1 ZINC000558623172 932116759 /nfs/dbraw/zinc/11/67/59/932116759.db2.gz VMGAWKKJUIUSMI-UHFFFAOYSA-N 1 2 380.521 3.675 20 30 GHEDLO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H](OC(F)F)C2)cc1OC ZINC000559096784 932432327 /nfs/dbraw/zinc/43/23/27/932432327.db2.gz ANBFMFGMAHPBEF-LBPRGKRZSA-N 1 2 392.240 3.836 20 30 GHEDLO C=CCOc1c(Br)cc(C[N@H+]2CC[C@H](OC(F)F)C2)cc1OC ZINC000559096784 932432329 /nfs/dbraw/zinc/43/23/29/932432329.db2.gz ANBFMFGMAHPBEF-LBPRGKRZSA-N 1 2 392.240 3.836 20 30 GHEDLO COc1ccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c2ccccc12 ZINC000798275357 932589103 /nfs/dbraw/zinc/58/91/03/932589103.db2.gz QHEGIJBFNROWPN-VQIMIIECSA-N 1 2 381.476 3.697 20 30 GHEDLO C=CCO[C@@H]1CC[N@H+](CC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)C1 ZINC001116556997 933632711 /nfs/dbraw/zinc/63/27/11/933632711.db2.gz WHRNJYPQEARZDN-HXUWFJFHSA-N 1 2 394.519 3.745 20 30 GHEDLO C=CCO[C@@H]1CC[N@@H+](CC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)C1 ZINC001116556997 933632728 /nfs/dbraw/zinc/63/27/28/933632728.db2.gz WHRNJYPQEARZDN-HXUWFJFHSA-N 1 2 394.519 3.745 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001121712946 934745339 /nfs/dbraw/zinc/74/53/39/934745339.db2.gz TZHZBEWSCVBJRQ-UHFFFAOYSA-N 1 2 398.477 3.560 20 30 GHEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)c(C#N)c1C ZINC000931917772 934764790 /nfs/dbraw/zinc/76/47/90/934764790.db2.gz HLKQAVYWGDFMHC-AWEZNQCLSA-N 1 2 375.391 3.542 20 30 GHEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)c(C#N)c1C ZINC000931917772 934764794 /nfs/dbraw/zinc/76/47/94/934764794.db2.gz HLKQAVYWGDFMHC-AWEZNQCLSA-N 1 2 375.391 3.542 20 30 GHEDLO C=CCC[C@@H]1CCCN1c1nnc(Cc2[nH+]ccn2C)n1Cc1ccccc1 ZINC001122162876 934835825 /nfs/dbraw/zinc/83/58/25/934835825.db2.gz ZRSMQOBCJNYASI-LJQANCHMSA-N 1 2 376.508 3.586 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC001122537119 934892777 /nfs/dbraw/zinc/89/27/77/934892777.db2.gz QSUGZKLLDDKNOM-UFYCRDLUSA-N 1 2 387.572 3.654 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC001122537119 934892778 /nfs/dbraw/zinc/89/27/78/934892778.db2.gz QSUGZKLLDDKNOM-UFYCRDLUSA-N 1 2 387.572 3.654 20 30 GHEDLO C#Cc1cccc(C[NH2+]Cc2ncc(Br)cc2Br)c1 ZINC001202812323 935842791 /nfs/dbraw/zinc/84/27/91/935842791.db2.gz LGGLSWPJPSAQSF-UHFFFAOYSA-N 1 2 380.083 3.878 20 30 GHEDLO COc1ccc(Br)c(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC001137909486 935862672 /nfs/dbraw/zinc/86/26/72/935862672.db2.gz UHFSSAPURAOUBH-UHFFFAOYSA-N 1 2 386.293 3.652 20 30 GHEDLO Cc1nc2ccccc2nc1C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471010237 1016939131 /nfs/dbraw/zinc/93/91/31/1016939131.db2.gz XBTIYCKYMQOCIY-QFIPXVFZSA-N 1 2 391.906 3.974 20 30 GHEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(F)cc(C(F)(F)F)c1Cl ZINC001277205401 1032404951 /nfs/dbraw/zinc/40/49/51/1032404951.db2.gz HONOVYJHRKHFEM-HUUCEWRRSA-N 1 2 388.792 3.696 20 30 GHEDLO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(F)cc(C(F)(F)F)c1Cl ZINC001277205401 1032404956 /nfs/dbraw/zinc/40/49/56/1032404956.db2.gz HONOVYJHRKHFEM-HUUCEWRRSA-N 1 2 388.792 3.696 20 30 GHEDLO N#CC[C@@H](NC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)C(F)(F)F ZINC000932903430 1018743675 /nfs/dbraw/zinc/74/36/75/1018743675.db2.gz KMZKHPYSFNIHEV-OAHLLOKOSA-N 1 2 399.804 3.593 20 30 GHEDLO FC1(F)[C@H]2C[NH+](Cc3cn4ccccc4n3)C[C@@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932944348 1018773832 /nfs/dbraw/zinc/77/38/32/1018773832.db2.gz UJKHCHGCEGAKPQ-QWRGUYRKSA-N 1 2 399.285 3.937 20 30 GHEDLO COc1cccc([C@@H](C)N2CC[NH+](Cc3cc(C#N)ccc3N(C)C)CC2)c1 ZINC001204441525 1032879307 /nfs/dbraw/zinc/87/93/07/1032879307.db2.gz ODCHJDSYTPUZFI-GOSISDBHSA-N 1 2 378.520 3.512 20 30 GHEDLO C[C@@H](c1ccccc1)N(Cc1ccc(C#N)cc1)c1cc(N2CCOCC2)[nH+]cn1 ZINC001156220473 1032929641 /nfs/dbraw/zinc/92/96/41/1032929641.db2.gz FEXPEXIMIMWHRW-IBGZPJMESA-N 1 2 399.498 3.953 20 30 GHEDLO C[C@@H](c1ccccc1)N(Cc1ccc(C#N)cc1)c1cc(N2CCOCC2)nc[nH+]1 ZINC001156220473 1032929646 /nfs/dbraw/zinc/92/96/46/1032929646.db2.gz FEXPEXIMIMWHRW-IBGZPJMESA-N 1 2 399.498 3.953 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(OC)c(OCC2CC2)c1 ZINC001140489373 1021810475 /nfs/dbraw/zinc/81/04/75/1021810475.db2.gz MVURLHCKCWVALV-FQEVSTJZSA-N 1 2 397.519 3.520 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(OC)c(OCC2CC2)c1 ZINC001140489373 1021810493 /nfs/dbraw/zinc/81/04/93/1021810493.db2.gz MVURLHCKCWVALV-FQEVSTJZSA-N 1 2 397.519 3.520 20 30 GHEDLO C#Cc1cccc(CNC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000836297593 1022838233 /nfs/dbraw/zinc/83/82/33/1022838233.db2.gz KUBDMEGQRZWLBW-HDICACEKSA-N 1 2 377.488 3.599 20 30 GHEDLO C#Cc1cccc(CNC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000836297593 1022838248 /nfs/dbraw/zinc/83/82/48/1022838248.db2.gz KUBDMEGQRZWLBW-HDICACEKSA-N 1 2 377.488 3.599 20 30 GHEDLO Cc1ccnc(C2CC[NH+](CC(=O)/C=C3/N(C)c4ccccc4C3(C)C)CC2)n1 ZINC000755221301 1023138429 /nfs/dbraw/zinc/13/84/29/1023138429.db2.gz JBOJCPRXECNBEA-PXLXIMEGSA-N 1 2 390.531 3.845 20 30 GHEDLO Cc1cc(C#N)cc(NC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c1 ZINC000836774251 1023357645 /nfs/dbraw/zinc/35/76/45/1023357645.db2.gz RZIQMIYUGDUWII-UHFFFAOYSA-N 1 2 377.492 3.723 20 30 GHEDLO C[N@H+](Cc1cscn1)Cc1cccc(Nc2ncc(C#N)cc2[N+](=O)[O-])c1 ZINC001162537187 1025784248 /nfs/dbraw/zinc/78/42/48/1025784248.db2.gz QMKVXTOJIMLHGV-UHFFFAOYSA-N 1 2 380.433 3.694 20 30 GHEDLO C[N@@H+](Cc1cscn1)Cc1cccc(Nc2ncc(C#N)cc2[N+](=O)[O-])c1 ZINC001162537187 1025784264 /nfs/dbraw/zinc/78/42/64/1025784264.db2.gz QMKVXTOJIMLHGV-UHFFFAOYSA-N 1 2 380.433 3.694 20 30 GHEDLO C[NH+](C)[C@@H](CNc1cc(C#N)c(Br)cn1)c1c(F)cccc1F ZINC001162543745 1025787114 /nfs/dbraw/zinc/78/71/14/1025787114.db2.gz DGDMSOIDOIRKFF-AWEZNQCLSA-N 1 2 381.224 3.709 20 30 GHEDLO N#Cc1ccc(C[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C2CC2)cc1 ZINC000839469169 1025959868 /nfs/dbraw/zinc/95/98/68/1025959868.db2.gz CIKYCURFMLNSHZ-UHFFFAOYSA-N 1 2 384.823 3.723 20 30 GHEDLO N#Cc1ccc(C[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C2CC2)cc1 ZINC000839469169 1025959870 /nfs/dbraw/zinc/95/98/70/1025959870.db2.gz CIKYCURFMLNSHZ-UHFFFAOYSA-N 1 2 384.823 3.723 20 30 GHEDLO CC(C)(C)OC(=O)O[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC001141654793 1026091764 /nfs/dbraw/zinc/09/17/64/1026091764.db2.gz KGYJNAFWSSNIGV-CQSZACIVSA-N 1 2 381.270 3.847 20 30 GHEDLO CC(C)(C)OC(=O)O[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC001141654793 1026091784 /nfs/dbraw/zinc/09/17/84/1026091784.db2.gz KGYJNAFWSSNIGV-CQSZACIVSA-N 1 2 381.270 3.847 20 30 GHEDLO Cc1ccc2c(n1)N(Cc1cccnc1)CC[N@@H+](Cc1ccc(C#N)c(F)c1)C2 ZINC001139528740 1026387297 /nfs/dbraw/zinc/38/72/97/1026387297.db2.gz VBGGHZJYPYDWRQ-UHFFFAOYSA-N 1 2 387.462 3.818 20 30 GHEDLO Cc1ccc2c(n1)N(Cc1cccnc1)CC[N@H+](Cc1ccc(C#N)c(F)c1)C2 ZINC001139528740 1026387311 /nfs/dbraw/zinc/38/73/11/1026387311.db2.gz VBGGHZJYPYDWRQ-UHFFFAOYSA-N 1 2 387.462 3.818 20 30 GHEDLO COc1cccc(C(=O)NC2CC[NH+](Cc3cccc(Cl)c3C#N)CC2)c1 ZINC001139692963 1026543660 /nfs/dbraw/zinc/54/36/60/1026543660.db2.gz NJSQPAWJUUZFLY-UHFFFAOYSA-N 1 2 383.879 3.615 20 30 GHEDLO CC(C)c1ccc(-c2cc(C(F)(F)N3CC[NH2+]C[C@H]3C#N)c(Cl)nn2)cc1 ZINC001164675376 1026573758 /nfs/dbraw/zinc/57/37/58/1026573758.db2.gz HKXOKDDKOUBDPK-OAHLLOKOSA-N 1 2 391.853 3.767 20 30 GHEDLO C=CCOC[C@H]1C[N@H+](Cc2ccccc2C2CC2)Cc2nnn(CC3CC3)c21 ZINC001139880392 1026697222 /nfs/dbraw/zinc/69/72/22/1026697222.db2.gz KALOWWNWAOENGZ-HXUWFJFHSA-N 1 2 378.520 3.868 20 30 GHEDLO C=CCOC[C@H]1C[N@@H+](Cc2ccccc2C2CC2)Cc2nnn(CC3CC3)c21 ZINC001139880392 1026697236 /nfs/dbraw/zinc/69/72/36/1026697236.db2.gz KALOWWNWAOENGZ-HXUWFJFHSA-N 1 2 378.520 3.868 20 30 GHEDLO N#Cc1cccc(N2CCOC[C@]3(CCCN(c4cc5ccccc5c[nH+]4)C3)C2)n1 ZINC001165518087 1026751941 /nfs/dbraw/zinc/75/19/41/1026751941.db2.gz FCXBMQIKXIURSU-DEOSSOPVSA-N 1 2 399.498 3.625 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1CCN(c2[nH+]cccc2Nc2ccc(O)c(C#N)c2)C1 ZINC001210530612 1027546341 /nfs/dbraw/zinc/54/63/41/1027546341.db2.gz JMWLPGLYMIRUMN-MRXNPFEDSA-N 1 2 395.463 3.506 20 30 GHEDLO CSc1nc(C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)ccc1C#N ZINC001141943737 1027720731 /nfs/dbraw/zinc/72/07/31/1027720731.db2.gz IJOFUSWJUARLLH-UHFFFAOYSA-N 1 2 382.316 3.976 20 30 GHEDLO CSc1nc(C[N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)ccc1C#N ZINC001141943737 1027720739 /nfs/dbraw/zinc/72/07/39/1027720739.db2.gz IJOFUSWJUARLLH-UHFFFAOYSA-N 1 2 382.316 3.976 20 30 GHEDLO CCN(c1ccccc1)S(=O)(=O)c1ccc(NNC(C)=C2CC2(F)F)[nH+]c1 ZINC000841611989 1028774928 /nfs/dbraw/zinc/77/49/28/1028774928.db2.gz DKRMDWRWWFKQBM-MRXNPFEDSA-N 1 2 394.447 3.740 20 30 GHEDLO N#Cc1cnc(NC(=O)CC2=C(c3ccccc3)[NH2+]C(c3ccccc3)S2)cn1 ZINC001142483472 1028982743 /nfs/dbraw/zinc/98/27/43/1028982743.db2.gz PIRSSPADJKPPQJ-UHFFFAOYSA-N 1 2 398.471 3.920 20 30 GHEDLO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1cc(O)cc2oc(-c3ccc(O)cc3)cc(=O)c12 ZINC001218451183 1030942286 /nfs/dbraw/zinc/94/22/86/1030942286.db2.gz BTPKJNDJJGKAGX-IEBWSBKVSA-N 1 2 393.439 3.947 20 30 GHEDLO N#Cc1cccc(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)n1 ZINC001219254812 1031328495 /nfs/dbraw/zinc/32/84/95/1031328495.db2.gz XCMIHJMOHBFUPM-INIZCTEOSA-N 1 2 387.846 3.532 20 30 GHEDLO N#Cc1cccc(NC(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)n1 ZINC001219254812 1031328514 /nfs/dbraw/zinc/32/85/14/1031328514.db2.gz XCMIHJMOHBFUPM-INIZCTEOSA-N 1 2 387.846 3.532 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cccc(-c4ccon4)c3)CC2)cc1 ZINC001220153681 1031804036 /nfs/dbraw/zinc/80/40/36/1031804036.db2.gz VJVQKSBRSJLOGE-UHFFFAOYSA-N 1 2 387.443 3.563 20 30 GHEDLO CCN(C1C[NH+](C)C1)C(F)(F)c1cnc(Cl)c(-c2cccc(C#N)c2)c1 ZINC001157461547 1033604153 /nfs/dbraw/zinc/60/41/53/1033604153.db2.gz MWACFSBJDQVCND-UHFFFAOYSA-N 1 2 376.838 3.959 20 30 GHEDLO CCOC(=O)[C@H](CC(C)C)Oc1nc(C)c(-c2ccc3[nH+]ccn3c2)cc1C#N ZINC001229767368 1033699556 /nfs/dbraw/zinc/69/95/56/1033699556.db2.gz BHCWETRZUNNZJO-IBGZPJMESA-N 1 2 392.459 3.933 20 30 GHEDLO COc1ccc(C[NH+]2CCOCC2)cc1-c1ncccc1C#C[Si](C)(C)C ZINC001206491399 1033870117 /nfs/dbraw/zinc/87/01/17/1033870117.db2.gz UUYZDJMNERHJLH-UHFFFAOYSA-N 1 2 380.564 3.818 20 30 GHEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2c(F)ccc(C)c2Br)C1=O ZINC001277456749 1034082378 /nfs/dbraw/zinc/08/23/78/1034082378.db2.gz VYQSKUTWTUHQAU-GOSISDBHSA-N 1 2 381.289 3.650 20 30 GHEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2c(F)ccc(C)c2Br)C1=O ZINC001277456749 1034082395 /nfs/dbraw/zinc/08/23/95/1034082395.db2.gz VYQSKUTWTUHQAU-GOSISDBHSA-N 1 2 381.289 3.650 20 30 GHEDLO CCOc1cc(C[N@H+](C)[C@@H](C)CC#N)ccc1OCc1ccc(C(=O)OC)o1 ZINC001461894937 1069850665 /nfs/dbraw/zinc/85/06/65/1069850665.db2.gz GITAFMFXKJQNJS-HNNXBMFYSA-N 1 2 386.448 3.778 20 30 GHEDLO CCOc1cc(C[N@@H+](C)[C@@H](C)CC#N)ccc1OCc1ccc(C(=O)OC)o1 ZINC001461894937 1069850682 /nfs/dbraw/zinc/85/06/82/1069850682.db2.gz GITAFMFXKJQNJS-HNNXBMFYSA-N 1 2 386.448 3.778 20 30 GHEDLO Cc1cc(Cl)nc(Cl)c1C[NH+]1CCC2(C[C@@H]2C(=O)NCCCC#N)CC1 ZINC001277507471 1034521303 /nfs/dbraw/zinc/52/13/03/1034521303.db2.gz POSOKDQYJMAIAJ-OAHLLOKOSA-N 1 2 395.334 3.719 20 30 GHEDLO C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cnc(Cl)c(C(F)(F)F)c1)CC2 ZINC001277523920 1034633033 /nfs/dbraw/zinc/63/30/33/1034633033.db2.gz XPTZKRSASNDBSM-AWEZNQCLSA-N 1 2 387.833 3.658 20 30 GHEDLO C=CCOc1cccc(C[N@@H+]2CCc3onc(COc4ccccn4)c3C2)c1 ZINC001231623805 1034784767 /nfs/dbraw/zinc/78/47/67/1034784767.db2.gz WVKVDWBWLGZPQJ-UHFFFAOYSA-N 1 2 377.444 3.772 20 30 GHEDLO C=CCOc1cccc(C[N@H+]2CCc3onc(COc4ccccn4)c3C2)c1 ZINC001231623805 1034784776 /nfs/dbraw/zinc/78/47/76/1034784776.db2.gz WVKVDWBWLGZPQJ-UHFFFAOYSA-N 1 2 377.444 3.772 20 30 GHEDLO COc1cc(C[NH+]2CCC(C)(C#N)CC2)c(Br)cc1OC(C)=O ZINC001231689575 1034839226 /nfs/dbraw/zinc/83/92/26/1034839226.db2.gz XJDSFCQWAPRMMP-UHFFFAOYSA-N 1 2 381.270 3.509 20 30 GHEDLO CN(CCC#N)c1ccc(CN2CC[C@H]([NH+]3CCCCC3)C(F)(F)C2)cc1 ZINC001231821983 1034929521 /nfs/dbraw/zinc/92/95/21/1034929521.db2.gz QJOKETFZCKTQHN-FQEVSTJZSA-N 1 2 376.495 3.732 20 30 GHEDLO CCOC(=O)[C@@H]1c2ccc(OC)cc2CC[N@H+]1CCCc1ccc(C#N)cc1 ZINC001208863368 1035065761 /nfs/dbraw/zinc/06/57/61/1035065761.db2.gz BJNSFLGJJJMBCC-QFIPXVFZSA-N 1 2 378.472 3.662 20 30 GHEDLO CCOC(=O)[C@@H]1c2ccc(OC)cc2CC[N@@H+]1CCCc1ccc(C#N)cc1 ZINC001208863368 1035065767 /nfs/dbraw/zinc/06/57/67/1035065767.db2.gz BJNSFLGJJJMBCC-QFIPXVFZSA-N 1 2 378.472 3.662 20 30 GHEDLO Cn1nc(C(F)F)c(C[N@@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)c1Cl ZINC001232058035 1035068868 /nfs/dbraw/zinc/06/88/68/1035068868.db2.gz ZOPZVNICDHKZCG-CQSZACIVSA-N 1 2 380.826 3.926 20 30 GHEDLO Cn1nc(C(F)F)c(C[N@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)c1Cl ZINC001232058035 1035068875 /nfs/dbraw/zinc/06/88/75/1035068875.db2.gz ZOPZVNICDHKZCG-CQSZACIVSA-N 1 2 380.826 3.926 20 30 GHEDLO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3nc(Cl)ccc3F)CC2)C1 ZINC001232156004 1035132784 /nfs/dbraw/zinc/13/27/84/1035132784.db2.gz URFYISIEXRUURT-UHFFFAOYSA-N 1 2 381.879 3.875 20 30 GHEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(Br)cc1OC ZINC001276629958 1035231860 /nfs/dbraw/zinc/23/18/60/1035231860.db2.gz HREICPSCNFIESK-IBGZPJMESA-N 1 2 393.325 3.601 20 30 GHEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(Br)cc1OC ZINC001276629958 1035231863 /nfs/dbraw/zinc/23/18/63/1035231863.db2.gz HREICPSCNFIESK-IBGZPJMESA-N 1 2 393.325 3.601 20 30 GHEDLO Cc1ccc(NCc2c[nH+]cn2Cc2ccccc2Br)nc1C#N ZINC001161520116 1035248752 /nfs/dbraw/zinc/24/87/52/1035248752.db2.gz RSAQMSLJGYLABI-UHFFFAOYSA-N 1 2 382.265 3.881 20 30 GHEDLO Cn1cc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c2c1ccnc2Cl ZINC001248838478 1036196310 /nfs/dbraw/zinc/19/63/10/1036196310.db2.gz VVSLVPFRWHLZCI-UHFFFAOYSA-N 1 2 383.858 3.560 20 30 GHEDLO N#Cc1c2cccnc2ccc1-c1ccc(OCC[NH+]2CCOCC2)cc1F ZINC001244138254 1036395347 /nfs/dbraw/zinc/39/53/47/1036395347.db2.gz NHOKCXPKGAJVEL-UHFFFAOYSA-N 1 2 377.419 3.624 20 30 GHEDLO CCCCCCCCNC(=S)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001247154462 1037950705 /nfs/dbraw/zinc/95/07/05/1037950705.db2.gz PXNUJQBIZAOGCJ-UHFFFAOYSA-N 1 2 377.598 3.918 20 30 GHEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCCN(c2nccc(C(F)(F)F)n2)CC1 ZINC001232607684 1038391090 /nfs/dbraw/zinc/39/10/90/1038391090.db2.gz UONPVPYIRJPCPM-UHFFFAOYSA-N 1 2 395.816 3.733 20 30 GHEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCN(c2nccc(C(F)(F)F)n2)CC1 ZINC001232607684 1038391100 /nfs/dbraw/zinc/39/11/00/1038391100.db2.gz UONPVPYIRJPCPM-UHFFFAOYSA-N 1 2 395.816 3.733 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC2(CCC[N@H+](Cc3cc(C#N)ccc3O)C2)CC1 ZINC001232673595 1038471959 /nfs/dbraw/zinc/47/19/59/1038471959.db2.gz JRQDBVCDRVUYDN-UHFFFAOYSA-N 1 2 385.508 3.877 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC2(CCC[N@@H+](Cc3cc(C#N)ccc3O)C2)CC1 ZINC001232673595 1038471965 /nfs/dbraw/zinc/47/19/65/1038471965.db2.gz JRQDBVCDRVUYDN-UHFFFAOYSA-N 1 2 385.508 3.877 20 30 GHEDLO CCn1ncc2c1C[N@H+](Cc1ccc(C#N)cc1C)C[C@@H]2COc1cccnc1 ZINC001233079320 1038843472 /nfs/dbraw/zinc/84/34/72/1038843472.db2.gz BISQSZVGNFKDAA-HXUWFJFHSA-N 1 2 387.487 3.657 20 30 GHEDLO CCn1ncc2c1C[N@@H+](Cc1ccc(C#N)cc1C)C[C@@H]2COc1cccnc1 ZINC001233079320 1038843499 /nfs/dbraw/zinc/84/34/99/1038843499.db2.gz BISQSZVGNFKDAA-HXUWFJFHSA-N 1 2 387.487 3.657 20 30 GHEDLO C[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(C#N)c2F)CCN1C(=O)OC(C)(C)C ZINC001233098733 1038874121 /nfs/dbraw/zinc/87/41/21/1038874121.db2.gz MGNYZMLOWCFGIK-HNNXBMFYSA-N 1 2 390.503 3.595 20 30 GHEDLO C[C@H]1CC[N@@H+](Cc2ccc(N(C)C)c(C#N)c2F)CCN1C(=O)OC(C)(C)C ZINC001233098733 1038874143 /nfs/dbraw/zinc/87/41/43/1038874143.db2.gz MGNYZMLOWCFGIK-HNNXBMFYSA-N 1 2 390.503 3.595 20 30 GHEDLO CCCCCCCC[C@H](O)C[N@H+]1Cc2nnn(CC3CC3)c2[C@H](COCC)C1 ZINC001252126354 1038874918 /nfs/dbraw/zinc/87/49/18/1038874918.db2.gz OXNSYAXNPPPQHE-PMACEKPBSA-N 1 2 392.588 3.735 20 30 GHEDLO CCCCCCCC[C@H](O)C[N@@H+]1Cc2nnn(CC3CC3)c2[C@H](COCC)C1 ZINC001252126354 1038874941 /nfs/dbraw/zinc/87/49/41/1038874941.db2.gz OXNSYAXNPPPQHE-PMACEKPBSA-N 1 2 392.588 3.735 20 30 GHEDLO CN(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)c(F)c1C#N ZINC001233104463 1038890150 /nfs/dbraw/zinc/89/01/50/1038890150.db2.gz WSXZEPGWYJAFRJ-HOTGVXAUSA-N 1 2 384.886 3.880 20 30 GHEDLO CN(C)c1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)c(F)c1C#N ZINC001233104463 1038890175 /nfs/dbraw/zinc/89/01/75/1038890175.db2.gz WSXZEPGWYJAFRJ-HOTGVXAUSA-N 1 2 384.886 3.880 20 30 GHEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1cc(Cl)cnc1OCC)CCO2 ZINC001233171118 1038944468 /nfs/dbraw/zinc/94/44/68/1038944468.db2.gz UMJNFKYOUZLQNG-YLJYHZDGSA-N 1 2 380.916 3.707 20 30 GHEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1cc(Cl)cnc1OCC)CCO2 ZINC001233171118 1038944473 /nfs/dbraw/zinc/94/44/73/1038944473.db2.gz UMJNFKYOUZLQNG-YLJYHZDGSA-N 1 2 380.916 3.707 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001233284638 1039061382 /nfs/dbraw/zinc/06/13/82/1039061382.db2.gz CAWOHBYFBGTSOS-LJQANCHMSA-N 1 2 384.524 3.603 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001233284638 1039061393 /nfs/dbraw/zinc/06/13/93/1039061393.db2.gz CAWOHBYFBGTSOS-LJQANCHMSA-N 1 2 384.524 3.603 20 30 GHEDLO COc1cc(C#N)ccc1OC1CC[NH+](Cc2cnc3cccc(Cl)n23)CC1 ZINC001233359492 1039184200 /nfs/dbraw/zinc/18/42/00/1039184200.db2.gz YMZRKGAASHDJHF-UHFFFAOYSA-N 1 2 396.878 3.911 20 30 GHEDLO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1c(Cl)ncnc1Cl)[C@H]2CC ZINC001233408248 1039256021 /nfs/dbraw/zinc/25/60/21/1039256021.db2.gz GNLJIQQLKZPUSI-KSSFIOAISA-N 1 2 383.323 3.705 20 30 GHEDLO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1c(Cl)ncnc1Cl)[C@H]2CC ZINC001233408248 1039256034 /nfs/dbraw/zinc/25/60/34/1039256034.db2.gz GNLJIQQLKZPUSI-KSSFIOAISA-N 1 2 383.323 3.705 20 30 GHEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1cccc(C(F)(F)F)c1O)CCO2 ZINC001233417847 1039278139 /nfs/dbraw/zinc/27/81/39/1039278139.db2.gz KPCYQLQDYKNFJB-QFBILLFUSA-N 1 2 385.426 3.985 20 30 GHEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1cccc(C(F)(F)F)c1O)CCO2 ZINC001233417847 1039278140 /nfs/dbraw/zinc/27/81/40/1039278140.db2.gz KPCYQLQDYKNFJB-QFBILLFUSA-N 1 2 385.426 3.985 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC3CCC(C4CCC4)CC3)CC2)cc1 ZINC001253317589 1039552970 /nfs/dbraw/zinc/55/29/70/1039552970.db2.gz LJRMRUGWJUTXLF-UHFFFAOYSA-N 1 2 380.536 3.744 20 30 GHEDLO CC(C)(C)OC(=O)N1CCc2nc(C[N@@H+]3CCC[C@H](C#N)CC3)sc2C1 ZINC001233940647 1039716371 /nfs/dbraw/zinc/71/63/71/1039716371.db2.gz AKKWYRKASQDWMW-AWEZNQCLSA-N 1 2 376.526 3.562 20 30 GHEDLO CC(C)(C)OC(=O)N1CCc2nc(C[N@H+]3CCC[C@H](C#N)CC3)sc2C1 ZINC001233940647 1039716390 /nfs/dbraw/zinc/71/63/90/1039716390.db2.gz AKKWYRKASQDWMW-AWEZNQCLSA-N 1 2 376.526 3.562 20 30 GHEDLO N#CCCCNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(F)c(F)c1Cl)CC2 ZINC001277957618 1041061218 /nfs/dbraw/zinc/06/12/18/1041061218.db2.gz GOPWHTUOZNECRL-CQSZACIVSA-N 1 2 381.854 3.640 20 30 GHEDLO N#Cc1cc(F)ccc1N1CC[NH+](Cc2conc2Cc2ccccc2)CC1 ZINC001462519084 1070323808 /nfs/dbraw/zinc/32/38/08/1070323808.db2.gz XYNOMVDYLNAWSF-UHFFFAOYSA-N 1 2 376.435 3.598 20 30 GHEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2c(C)cc(Br)cc2C)CC1 ZINC001235787656 1041276398 /nfs/dbraw/zinc/27/63/98/1041276398.db2.gz GCKVAUPQCFMWGG-UHFFFAOYSA-N 1 2 379.298 3.735 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1[C@H](C)CSc1ccc(C)cc1 ZINC001255765595 1041281527 /nfs/dbraw/zinc/28/15/27/1041281527.db2.gz LWGXJJQZQFIQQM-YLJYHZDGSA-N 1 2 386.565 3.889 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1[C@H](C)CSc1ccc(C)cc1 ZINC001255765595 1041281543 /nfs/dbraw/zinc/28/15/43/1041281543.db2.gz LWGXJJQZQFIQQM-YLJYHZDGSA-N 1 2 386.565 3.889 20 30 GHEDLO COc1cc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)ccc1I ZINC001237073584 1042022164 /nfs/dbraw/zinc/02/21/64/1042022164.db2.gz CGOSMLGDFOIFRJ-ZSOGYDGISA-N 1 2 382.245 3.566 20 30 GHEDLO COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)ccc1I ZINC001237073584 1042022165 /nfs/dbraw/zinc/02/21/65/1042022165.db2.gz CGOSMLGDFOIFRJ-ZSOGYDGISA-N 1 2 382.245 3.566 20 30 GHEDLO COc1cc(C[NH+]2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)cnc1F ZINC001238451429 1042600247 /nfs/dbraw/zinc/60/02/47/1042600247.db2.gz ODCKARWCCQZGEW-UHFFFAOYSA-N 1 2 375.831 3.798 20 30 GHEDLO C=CCNC(=O)c1ccc(NC(=O)[C@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)cc1 ZINC001291851590 1043502254 /nfs/dbraw/zinc/50/22/54/1043502254.db2.gz ZKWVVGHFPLWWGD-HDICACEKSA-N 1 2 378.476 3.607 20 30 GHEDLO Cc1ccc(C[N@@H+]2CCO[C@H](CNc3cc(C(F)(F)F)cc(C#N)n3)C2)cc1 ZINC001307191821 1044989121 /nfs/dbraw/zinc/98/91/21/1044989121.db2.gz VTIZRMNPKCIUCY-GOSISDBHSA-N 1 2 390.409 3.593 20 30 GHEDLO Cc1ccc(C[N@H+]2CCO[C@H](CNc3cc(C(F)(F)F)cc(C#N)n3)C2)cc1 ZINC001307191821 1044989124 /nfs/dbraw/zinc/98/91/24/1044989124.db2.gz VTIZRMNPKCIUCY-GOSISDBHSA-N 1 2 390.409 3.593 20 30 GHEDLO C=CCC[C@H](NC(=O)/C=C\C[NH+]1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC001295383382 1044994070 /nfs/dbraw/zinc/99/40/70/1044994070.db2.gz AUGSATLUOYGZIF-SUZKBHRPSA-N 1 2 382.426 3.717 20 30 GHEDLO C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001300806181 1046174593 /nfs/dbraw/zinc/17/45/93/1046174593.db2.gz RCNOSSYALQIRHI-WZONZLPQSA-N 1 2 394.567 3.941 20 30 GHEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)Cc1ccc(F)cc1 ZINC001263302227 1046700613 /nfs/dbraw/zinc/70/06/13/1046700613.db2.gz KPVTXAXDZPVHMD-UHFFFAOYSA-N 1 2 396.514 3.723 20 30 GHEDLO N#Cc1ccc([C@@H]2CN(C(=O)[C@H]3CC[C@@H](Nc4cccc[nH+]4)CC3)CCO2)cc1 ZINC001304192955 1047610018 /nfs/dbraw/zinc/61/00/18/1047610018.db2.gz BVGNPKPLHAEJSK-HBMCJLEFSA-N 1 2 390.487 3.524 20 30 GHEDLO Cc1cccc(-c2nnc(N(C)C[C@H](C)C#N)n2CCCc2cccc(C)[nH+]2)n1 ZINC001304486689 1047690014 /nfs/dbraw/zinc/69/00/14/1047690014.db2.gz NVMJLNMIUXBZBM-MRXNPFEDSA-N 1 2 389.507 3.581 20 30 GHEDLO Fc1cc(C(F)(F)F)cnc1CN1CC2(CC[N@@H+]2CCCC(F)(F)F)C1 ZINC001279896685 1047983340 /nfs/dbraw/zinc/98/33/40/1047983340.db2.gz QKGXALAINBJDEH-UHFFFAOYSA-N 1 2 385.327 3.842 20 30 GHEDLO Fc1cc(C(F)(F)F)cnc1CN1CC2(CC[N@H+]2CCCC(F)(F)F)C1 ZINC001279896685 1047983345 /nfs/dbraw/zinc/98/33/45/1047983345.db2.gz QKGXALAINBJDEH-UHFFFAOYSA-N 1 2 385.327 3.842 20 30 GHEDLO CC[C@@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1Cc1c[nH+]ccc1OC ZINC001305380350 1048002609 /nfs/dbraw/zinc/00/26/09/1048002609.db2.gz KRZWTJWXSJDLAX-MRXNPFEDSA-N 1 2 390.491 3.752 20 30 GHEDLO N#CC1(NC(=O)[C@@H]2CC23CC[NH+](Cc2c(Cl)cncc2Cl)CC3)CCC1 ZINC001279957211 1048011795 /nfs/dbraw/zinc/01/17/95/1048011795.db2.gz OGQXCGRSQHBPAJ-AWEZNQCLSA-N 1 2 393.318 3.553 20 30 GHEDLO N#Cc1cc(C[NH+]2CC3(C2)CCN(C(=O)Cc2ccsc2)C3)ccc1Cl ZINC001280070926 1048069534 /nfs/dbraw/zinc/06/95/34/1048069534.db2.gz FWMBLQMKHDSDOM-UHFFFAOYSA-N 1 2 385.920 3.550 20 30 GHEDLO C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)o2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001286281712 1048251820 /nfs/dbraw/zinc/25/18/20/1048251820.db2.gz KTRQYXYYCDDESV-MRXNPFEDSA-N 1 2 392.507 3.594 20 30 GHEDLO C=CC1CCN(c2nnc([C@@H]3CCOC3)n2CCCc2cccc(C)[nH+]2)CC1 ZINC001286663013 1048428921 /nfs/dbraw/zinc/42/89/21/1048428921.db2.gz DMPWEULFXUULQG-LJQANCHMSA-N 1 2 381.524 3.521 20 30 GHEDLO C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001286757120 1048510580 /nfs/dbraw/zinc/51/05/80/1048510580.db2.gz GKZSIDWYIZRANS-RBUKOAKNSA-N 1 2 396.539 3.781 20 30 GHEDLO N#CCC1(CNc2[nH+]cnc3c2cnn3-c2cccc(Br)c2)CC1 ZINC001307110842 1049082718 /nfs/dbraw/zinc/08/27/18/1049082718.db2.gz VEPJQAVOSXWTCY-UHFFFAOYSA-N 1 2 383.253 3.684 20 30 GHEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](CCOc1ccccc1C#N)C1CC1 ZINC001307565937 1049406432 /nfs/dbraw/zinc/40/64/32/1049406432.db2.gz DMLWQKKSOZPIQE-OAQYLSRUSA-N 1 2 378.472 3.576 20 30 GHEDLO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](CCOc1ccccc1C#N)C1CC1 ZINC001307565937 1049406438 /nfs/dbraw/zinc/40/64/38/1049406438.db2.gz DMLWQKKSOZPIQE-OAQYLSRUSA-N 1 2 378.472 3.576 20 30 GHEDLO C[C@H](CC(C)(C)C#N)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC001308693635 1050061454 /nfs/dbraw/zinc/06/14/54/1050061454.db2.gz USPDVIJLKGESHZ-CQSZACIVSA-N 1 2 379.346 3.941 20 30 GHEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1Cc2ccccc2[C@H]1C ZINC001342343452 1053118417 /nfs/dbraw/zinc/11/84/17/1053118417.db2.gz KPGPYTCXFQNBDT-QFUCXCTJSA-N 1 2 393.535 3.861 20 30 GHEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1Cc2ccccc2[C@H]1C ZINC001342343452 1053118423 /nfs/dbraw/zinc/11/84/23/1053118423.db2.gz KPGPYTCXFQNBDT-QFUCXCTJSA-N 1 2 393.535 3.861 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@@H]1c1ccccc1 ZINC001342685983 1053300331 /nfs/dbraw/zinc/30/03/31/1053300331.db2.gz PITSXOBQRKFVSL-HXUWFJFHSA-N 1 2 378.524 3.733 20 30 GHEDLO C=C(C)Cn1c(Cc2[nH+]ccn2Cc2ccccc2)nnc1N1CCCCC1 ZINC001343420929 1053762088 /nfs/dbraw/zinc/76/20/88/1053762088.db2.gz XTXQLZJPLLKLHL-UHFFFAOYSA-N 1 2 376.508 3.680 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@H](OC2CCC2)CC1 ZINC001343767871 1054010474 /nfs/dbraw/zinc/01/04/74/1054010474.db2.gz GNBPORPDRYFNBD-VQTJNVASSA-N 1 2 387.572 3.939 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@H](OC2CCC2)CC1 ZINC001343767871 1054010490 /nfs/dbraw/zinc/01/04/90/1054010490.db2.gz GNBPORPDRYFNBD-VQTJNVASSA-N 1 2 387.572 3.939 20 30 GHEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@H](OC2CCC2)CC1 ZINC001343772592 1054015246 /nfs/dbraw/zinc/01/52/46/1054015246.db2.gz WLPHWCOQFQJIOR-FQEVSTJZSA-N 1 2 387.572 3.768 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@H](Cc2nccs2)C1 ZINC001343927715 1054123961 /nfs/dbraw/zinc/12/39/61/1054123961.db2.gz JPPUWLRXDYTVIK-SJORKVTESA-N 1 2 386.569 3.537 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@H](Cc2nccs2)C1 ZINC001343927715 1054123968 /nfs/dbraw/zinc/12/39/68/1054123968.db2.gz JPPUWLRXDYTVIK-SJORKVTESA-N 1 2 386.569 3.537 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCO[C@@H](c2ccccc2F)C1 ZINC001343928603 1054124052 /nfs/dbraw/zinc/12/40/52/1054124052.db2.gz QWMWVWAQONSWDS-VQTJNVASSA-N 1 2 399.514 3.728 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCO[C@@H](c2ccccc2F)C1 ZINC001343928603 1054124058 /nfs/dbraw/zinc/12/40/58/1054124058.db2.gz QWMWVWAQONSWDS-VQTJNVASSA-N 1 2 399.514 3.728 20 30 GHEDLO C=C(C)CN(Cc1ccccc1)c1nnc([C@@H]2CCC[N@H+]2C)n1C[C@@H]1CCOC1 ZINC001345628391 1055170113 /nfs/dbraw/zinc/17/01/13/1055170113.db2.gz VQTDHKUJFBBIKC-SFTDATJTSA-N 1 2 395.551 3.664 20 30 GHEDLO C=C(C)CN(Cc1ccccc1)c1nnc([C@@H]2CCC[N@@H+]2C)n1C[C@@H]1CCOC1 ZINC001345628391 1055170120 /nfs/dbraw/zinc/17/01/20/1055170120.db2.gz VQTDHKUJFBBIKC-SFTDATJTSA-N 1 2 395.551 3.664 20 30 GHEDLO C#CCN(CC)c1nnc([C@@H](C)CC)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001300597259 1056594768 /nfs/dbraw/zinc/59/47/68/1056594768.db2.gz ADWXQQBGWPPONC-SFHVURJKSA-N 1 2 380.540 3.685 20 30 GHEDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccc(Sc3ccccc3C#N)cc2)[C@H](C)CO1 ZINC001300609385 1056635539 /nfs/dbraw/zinc/63/55/39/1056635539.db2.gz ASAKOUWYVHKCCQ-IAGOWNOFSA-N 1 2 395.528 3.548 20 30 GHEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc(Sc3ccccc3C#N)cc2)[C@H](C)CO1 ZINC001300609385 1056635542 /nfs/dbraw/zinc/63/55/42/1056635542.db2.gz ASAKOUWYVHKCCQ-IAGOWNOFSA-N 1 2 395.528 3.548 20 30 GHEDLO N#Cc1cccc(Oc2ccnc(N3CC[NH+](Cc4cccc(F)c4)CC3)n2)c1 ZINC001472748228 1056808854 /nfs/dbraw/zinc/80/88/54/1056808854.db2.gz UMPGDLZWYJOMPZ-UHFFFAOYSA-N 1 2 389.434 3.602 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2C[C@H]2CCCCC(F)(F)C2)CC1 ZINC001300683484 1056862929 /nfs/dbraw/zinc/86/29/29/1056862929.db2.gz OKOSAYVOTVTDLB-ROUUACIJSA-N 1 2 393.526 3.762 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2(CCC)CC2)CC1 ZINC001300690102 1056882969 /nfs/dbraw/zinc/88/29/69/1056882969.db2.gz BFTVSEABLWCIJT-UHFFFAOYSA-N 1 2 397.954 3.934 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCC1=NNCCCn1cc[nH+]c1 ZINC000848417048 1057075418 /nfs/dbraw/zinc/07/54/18/1057075418.db2.gz IXFFWAADAKNKHO-PKOBYXMFSA-N 1 2 389.544 3.809 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCc2c(O)cccc2C1 ZINC001356094464 1057387668 /nfs/dbraw/zinc/38/76/68/1057387668.db2.gz LCEKSRZVBWHCGA-LJQANCHMSA-N 1 2 392.507 3.564 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N(C)Cc1cc(C)on1 ZINC001356238469 1057442998 /nfs/dbraw/zinc/44/29/98/1057442998.db2.gz IYLHJNJJRMBPIH-GOSISDBHSA-N 1 2 383.500 3.619 20 30 GHEDLO N#C[C@@]1(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)CC12CCCC2 ZINC001326417340 1057479797 /nfs/dbraw/zinc/47/97/97/1057479797.db2.gz KRSMHSNDOPOYKW-JOCHJYFZSA-N 1 2 377.492 3.961 20 30 GHEDLO N#CCc1ccccc1C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001440709540 1058591485 /nfs/dbraw/zinc/59/14/85/1058591485.db2.gz MYFSTIBOLBPXPN-UHFFFAOYSA-N 1 2 387.405 3.729 20 30 GHEDLO N#CCCCOc1cccnc1NC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001442975074 1059036647 /nfs/dbraw/zinc/03/66/47/1059036647.db2.gz YTRMIHCJXPVDNW-CALCHBBNSA-N 1 2 379.464 3.769 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@H](C)[C@H]1c1ccccc1 ZINC001339367716 1059147898 /nfs/dbraw/zinc/14/78/98/1059147898.db2.gz KZJBCSCEMAMKMO-RXVVDRJESA-N 1 2 392.551 3.979 20 30 GHEDLO C#CC[N@H+]1CCCN(C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC001444337497 1059311228 /nfs/dbraw/zinc/31/12/28/1059311228.db2.gz IVJQYZODVWOFFL-UHFFFAOYSA-N 1 2 393.434 3.610 20 30 GHEDLO C#CC[N@@H+]1CCCN(C(=O)c2csc(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC001444337497 1059311250 /nfs/dbraw/zinc/31/12/50/1059311250.db2.gz IVJQYZODVWOFFL-UHFFFAOYSA-N 1 2 393.434 3.610 20 30 GHEDLO CCCC[C@@H](ON=C(C)C)C(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC001444346066 1059314202 /nfs/dbraw/zinc/31/42/02/1059314202.db2.gz JMEIPWFWIRCGAX-LJQANCHMSA-N 1 2 379.570 3.926 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001340640350 1060011394 /nfs/dbraw/zinc/01/13/94/1060011394.db2.gz DLGPECKUTZFVAW-MRXNPFEDSA-N 1 2 394.445 3.995 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1Cc2ccccc2[C@H](C)C1 ZINC001341036716 1060348131 /nfs/dbraw/zinc/34/81/31/1060348131.db2.gz RURFHKZKCVNWPB-QGZVFWFLSA-N 1 2 378.524 3.515 20 30 GHEDLO C=CC[C@H]1CCCN(c2nnc([C@@H](CC(C)C)n3cc[nH+]c3)n2CCOC)C1 ZINC001341575474 1060754208 /nfs/dbraw/zinc/75/42/08/1060754208.db2.gz VMCVFKLJBHEDQU-RBUKOAKNSA-N 1 2 386.544 3.549 20 30 GHEDLO C[N@@H+]1CCCC[C@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CCc1ccccc1 ZINC001341624840 1060780470 /nfs/dbraw/zinc/78/04/70/1060780470.db2.gz XZACNWGLGJZNCM-NZQKXSOJSA-N 1 2 392.551 3.808 20 30 GHEDLO C[N@H+]1CCCC[C@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CCc1ccccc1 ZINC001341624840 1060780478 /nfs/dbraw/zinc/78/04/78/1060780478.db2.gz XZACNWGLGJZNCM-NZQKXSOJSA-N 1 2 392.551 3.808 20 30 GHEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N(C)[C@H](C)c1cccs1 ZINC001342013081 1060995553 /nfs/dbraw/zinc/99/55/53/1060995553.db2.gz RRJNXHMHTIDXIW-ZACQAIPSSA-N 1 2 387.553 3.649 20 30 GHEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N(C)[C@H](C)c1cccs1 ZINC001342013081 1060995557 /nfs/dbraw/zinc/99/55/57/1060995557.db2.gz RRJNXHMHTIDXIW-ZACQAIPSSA-N 1 2 387.553 3.649 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC001342071687 1061039317 /nfs/dbraw/zinc/03/93/17/1061039317.db2.gz NBNLIDYHEMEGIX-VBQJREDUSA-N 1 2 384.355 3.641 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC001342071687 1061039327 /nfs/dbraw/zinc/03/93/27/1061039327.db2.gz NBNLIDYHEMEGIX-VBQJREDUSA-N 1 2 384.355 3.641 20 30 GHEDLO C=CCC[C@@H]1CCCN1c1nnc(Cc2[nH+]ccn2C)n1Cc1cccs1 ZINC001345960813 1061246335 /nfs/dbraw/zinc/24/63/35/1061246335.db2.gz XRERAGDHWQGUNV-MRXNPFEDSA-N 1 2 382.537 3.647 20 30 GHEDLO C=CCC[C@H]1CCCN1c1nnc(Cc2[nH+]ccn2C)n1Cc1cccs1 ZINC001345960812 1061246683 /nfs/dbraw/zinc/24/66/83/1061246683.db2.gz XRERAGDHWQGUNV-INIZCTEOSA-N 1 2 382.537 3.647 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC001346188508 1061437527 /nfs/dbraw/zinc/43/75/27/1061437527.db2.gz ZYYNSQZXZAFRPY-YSIASYRMSA-N 1 2 381.524 3.587 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC001346188508 1061437530 /nfs/dbraw/zinc/43/75/30/1061437530.db2.gz ZYYNSQZXZAFRPY-YSIASYRMSA-N 1 2 381.524 3.587 20 30 GHEDLO C[C@H](c1ccco1)N(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1CC1CC1 ZINC001346248632 1061476603 /nfs/dbraw/zinc/47/66/03/1061476603.db2.gz VUMOCKZWHWJOQP-MRXNPFEDSA-N 1 2 382.512 3.572 20 30 GHEDLO Cc1cn2c([nH+]1)[C@@H](Cn1c(CC(C)(C)C)nnc1N(C)C[C@@H](C)C#N)CCC2 ZINC001492628436 1061830009 /nfs/dbraw/zinc/83/00/09/1061830009.db2.gz FWTXBUFJTJDPQH-DOTOQJQBSA-N 1 2 383.544 3.545 20 30 GHEDLO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC001546063149 1061847079 /nfs/dbraw/zinc/84/70/79/1061847079.db2.gz HLLLYKNKHBVRHL-INIZCTEOSA-N 1 2 376.501 3.644 20 30 GHEDLO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2ccc(C#N)c(OC)c2)CC1 ZINC001455453776 1062159173 /nfs/dbraw/zinc/15/91/73/1062159173.db2.gz HPGGXUWSOCGCOU-FQEVSTJZSA-N 1 2 381.451 3.615 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000847329185 1065067721 /nfs/dbraw/zinc/06/77/21/1065067721.db2.gz CRBUVJFVXUWSCM-KRWDZBQOSA-N 1 2 397.479 3.788 20 30 GHEDLO C[N@@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccccc1 ZINC001357660709 1067219364 /nfs/dbraw/zinc/21/93/64/1067219364.db2.gz RAZBXULRVJZQLH-KNQAVFIVSA-N 1 2 378.524 3.613 20 30 GHEDLO C[N@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccccc1 ZINC001357660709 1067219372 /nfs/dbraw/zinc/21/93/72/1067219372.db2.gz RAZBXULRVJZQLH-KNQAVFIVSA-N 1 2 378.524 3.613 20 30 GHEDLO C[N@@H+]1CCCC[C@H]1c1nnc(N2CCC(CC#N)CC2)n1CCc1ccccc1 ZINC001358060231 1067383793 /nfs/dbraw/zinc/38/37/93/1067383793.db2.gz DDWALVGTEKBNBB-NRFANRHFSA-N 1 2 392.551 3.808 20 30 GHEDLO C[N@H+]1CCCC[C@H]1c1nnc(N2CCC(CC#N)CC2)n1CCc1ccccc1 ZINC001358060231 1067383804 /nfs/dbraw/zinc/38/38/04/1067383804.db2.gz DDWALVGTEKBNBB-NRFANRHFSA-N 1 2 392.551 3.808 20 30 GHEDLO CC(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1Cc2ccccc2C1 ZINC001358096300 1067396454 /nfs/dbraw/zinc/39/64/54/1067396454.db2.gz FLNQRTMYCMGZJW-UHFFFAOYSA-N 1 2 378.524 3.547 20 30 GHEDLO C#C[C@H](C)N(C)c1nnc(C2CCCC2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001358888689 1067597803 /nfs/dbraw/zinc/59/78/03/1067597803.db2.gz QKYCSOSREBDFDP-SFHVURJKSA-N 1 2 392.551 3.827 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCCC)CC1 ZINC001359030463 1067659227 /nfs/dbraw/zinc/65/92/27/1067659227.db2.gz WMZFJVUJSVWUSE-FQEVSTJZSA-N 1 2 395.551 3.590 20 30 GHEDLO C=CCSCCn1c(C2CCCC2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001359341966 1068038747 /nfs/dbraw/zinc/03/87/47/1068038747.db2.gz LTMNIQZUKUHEMX-UHFFFAOYSA-N 1 2 398.580 3.577 20 30 GHEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](C[C@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC001460605676 1069023512 /nfs/dbraw/zinc/02/35/12/1069023512.db2.gz NMQBTZZBGMJLLA-PKOBYXMFSA-N 1 2 375.394 3.691 20 30 GHEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](C[C@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC001460605676 1069023535 /nfs/dbraw/zinc/02/35/35/1069023535.db2.gz NMQBTZZBGMJLLA-PKOBYXMFSA-N 1 2 375.394 3.691 20 30 GHEDLO COc1nscc1C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001460874220 1069243869 /nfs/dbraw/zinc/24/38/69/1069243869.db2.gz DSHFNRQNKCVNHJ-OCAPTIKFSA-N 1 2 396.303 3.755 20 30 GHEDLO COc1nscc1C[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001460874220 1069243884 /nfs/dbraw/zinc/24/38/84/1069243884.db2.gz DSHFNRQNKCVNHJ-OCAPTIKFSA-N 1 2 396.303 3.755 20 30 GHEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001470557710 1072625206 /nfs/dbraw/zinc/62/52/06/1072625206.db2.gz KMSJHVHNZAOGAR-FCHUYYIVSA-N 1 2 385.471 3.873 20 30 GHEDLO Cc1ccc(CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1C#N ZINC001479276120 1079171019 /nfs/dbraw/zinc/17/10/19/1079171019.db2.gz NEWCZRIPLWDYHV-VXKWHMMOSA-N 1 2 385.471 3.791 20 30 GHEDLO CC[C@@H](C(=O)Nc1ccc(C)cc1)[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC001473725184 1074108893 /nfs/dbraw/zinc/10/88/93/1074108893.db2.gz AVRBWJLKCYCYNJ-FQEVSTJZSA-N 1 2 380.467 3.545 20 30 GHEDLO C#CCC1(O)CC[NH+](CC(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)CC1 ZINC001473745852 1074120454 /nfs/dbraw/zinc/12/04/54/1074120454.db2.gz AAFWVKMYFIBIIQ-UHFFFAOYSA-N 1 2 397.544 3.524 20 30 GHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCCC[C@@]23CCOC3)c1C#N ZINC001473895647 1074194236 /nfs/dbraw/zinc/19/42/36/1074194236.db2.gz QVUJDBLIZHFMFI-QHCPKHFHSA-N 1 2 392.503 3.549 20 30 GHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CCCC[C@@]23CCOC3)c1C#N ZINC001473895647 1074194237 /nfs/dbraw/zinc/19/42/37/1074194237.db2.gz QVUJDBLIZHFMFI-QHCPKHFHSA-N 1 2 392.503 3.549 20 30 GHEDLO C=CCOc1ccc(CNc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)cc1OC ZINC001474133489 1074272789 /nfs/dbraw/zinc/27/27/89/1074272789.db2.gz XDVIINFSDPBMOG-CALCHBBNSA-N 1 2 383.492 3.881 20 30 GHEDLO C#CC[C@@H]([NH2+]C1CCC(C)(c2cccc(Br)c2)CC1)C(=O)OC ZINC001474574347 1074468765 /nfs/dbraw/zinc/46/87/65/1074468765.db2.gz YZWDFOXTEIKAOF-TVRKMHQQSA-N 1 2 378.310 3.804 20 30 GHEDLO Fc1ccc(C[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1-c1nn[nH]n1 ZINC000822766468 606966699 /nfs/dbraw/zinc/96/66/99/606966699.db2.gz KANFYBYMSRTHQA-AOOOYVTPSA-N 1 2 397.298 3.569 20 30 GHEDLO Fc1ccc(C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1-c1nn[nH]n1 ZINC000822766468 606966701 /nfs/dbraw/zinc/96/67/01/606966701.db2.gz KANFYBYMSRTHQA-AOOOYVTPSA-N 1 2 397.298 3.569 20 30 GHEDLO CCC(CC)C[N@H+](CCC#N)Cc1c(-c2nn[nH]n2)c(C)nn1-c1ccccc1 ZINC000825106536 608313152 /nfs/dbraw/zinc/31/31/52/608313152.db2.gz FUOUDVXVTHATCX-UHFFFAOYSA-N 1 2 392.511 3.513 20 30 GHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1c(-c2nn[nH]n2)c(C)nn1-c1ccccc1 ZINC000825106536 608313154 /nfs/dbraw/zinc/31/31/54/608313154.db2.gz FUOUDVXVTHATCX-UHFFFAOYSA-N 1 2 392.511 3.513 20 30 GHEDLO C=CCOc1ccc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)cc1OC ZINC000180715200 837493117 /nfs/dbraw/zinc/49/31/17/837493117.db2.gz DJJNBDHXIMWKDA-SFTDATJTSA-N 1 2 383.488 3.585 20 30 GHEDLO C=CCOc1ccc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)cc1OC ZINC000180715200 837493120 /nfs/dbraw/zinc/49/31/20/837493120.db2.gz DJJNBDHXIMWKDA-SFTDATJTSA-N 1 2 383.488 3.585 20 30 GHEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1nnc(-c2ccccc2)c2ccccc21 ZINC000414104453 837555460 /nfs/dbraw/zinc/55/54/60/837555460.db2.gz YWQMNTQJDRBYKQ-QGZVFWFLSA-N 1 2 378.501 3.595 20 30 GHEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1nnc(-c2ccccc2)c2ccccc21 ZINC000414104453 837555466 /nfs/dbraw/zinc/55/54/66/837555466.db2.gz YWQMNTQJDRBYKQ-QGZVFWFLSA-N 1 2 378.501 3.595 20 30 GHEDLO COc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)c(C)c1OC ZINC000583458428 834417927 /nfs/dbraw/zinc/41/79/27/834417927.db2.gz FJUWDKSEXZOCML-CQSZACIVSA-N 1 2 378.432 3.785 20 30 GHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)NC(=O)Nc1ccccc1 ZINC000512505800 844031247 /nfs/dbraw/zinc/03/12/47/844031247.db2.gz CBGJCQOYPZDCFB-KRWDZBQOSA-N 1 2 383.496 3.579 20 30 GHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)NC(=O)Nc1ccccc1 ZINC000512505800 844031256 /nfs/dbraw/zinc/03/12/56/844031256.db2.gz CBGJCQOYPZDCFB-KRWDZBQOSA-N 1 2 383.496 3.579 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000151255792 835319505 /nfs/dbraw/zinc/31/95/05/835319505.db2.gz KWBAWOLJDJNYFF-IRXDYDNUSA-N 1 2 395.532 3.583 20 30 GHEDLO N#Cc1ccc2ncc(C[NH+]3CCC(C(=O)c4ccc(Cl)cc4)CC3)n2c1 ZINC000179345503 835528424 /nfs/dbraw/zinc/52/84/24/835528424.db2.gz LTTGHOFHIHFHSJ-UHFFFAOYSA-N 1 2 378.863 3.954 20 30 GHEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCCSCc1ccccc1C#N)C2 ZINC000364654523 836092490 /nfs/dbraw/zinc/09/24/90/836092490.db2.gz NSCBQPTUFYFJRV-HNNXBMFYSA-N 1 2 382.533 3.559 20 30 GHEDLO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCCSCc1ccccc1C#N)CC2 ZINC000364654523 836092500 /nfs/dbraw/zinc/09/25/00/836092500.db2.gz NSCBQPTUFYFJRV-HNNXBMFYSA-N 1 2 382.533 3.559 20 30 GHEDLO CC[C@H](CC#N)[NH2+]CC(=O)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1 ZINC000584478324 836202697 /nfs/dbraw/zinc/20/26/97/836202697.db2.gz PAIZEFURKMQAGV-SJLPKXTDSA-N 1 2 390.443 3.985 20 30 GHEDLO N#CCCNC(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000426438092 844168512 /nfs/dbraw/zinc/16/85/12/844168512.db2.gz AZSLRDHQNWAQQR-FQEVSTJZSA-N 1 2 382.895 3.670 20 30 GHEDLO Cc1c[nH+]c(N2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)nc1NC1CC1 ZINC001167152570 836668799 /nfs/dbraw/zinc/66/87/99/836668799.db2.gz ZTLKARKNXOIVIR-UHFFFAOYSA-N 1 2 383.883 3.932 20 30 GHEDLO O=C(CCc1ccccc1)N1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000177286985 837860863 /nfs/dbraw/zinc/86/08/63/837860863.db2.gz DEOHVALMHOYATJ-UHFFFAOYSA-N 1 2 380.919 3.859 20 30 GHEDLO O=C(CCc1ccccc1)N1CCC[N@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000177286985 837860867 /nfs/dbraw/zinc/86/08/67/837860867.db2.gz DEOHVALMHOYATJ-UHFFFAOYSA-N 1 2 380.919 3.859 20 30 GHEDLO N#Cc1ccccc1Oc1ccc(C(=O)N2CCn3c[nH+]cc3C2)cc1Cl ZINC000365699677 837985511 /nfs/dbraw/zinc/98/55/11/837985511.db2.gz WOVCUBNORNYHTP-UHFFFAOYSA-N 1 2 378.819 3.856 20 30 GHEDLO CCC[N@@H+](Cc1ccc(OC)c(C#N)c1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000134974721 838237227 /nfs/dbraw/zinc/23/72/27/838237227.db2.gz XZIWDLLTJWNJBX-UHFFFAOYSA-N 1 2 396.878 3.869 20 30 GHEDLO CCC[N@H+](Cc1ccc(OC)c(C#N)c1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000134974721 838237236 /nfs/dbraw/zinc/23/72/36/838237236.db2.gz XZIWDLLTJWNJBX-UHFFFAOYSA-N 1 2 396.878 3.869 20 30 GHEDLO C[C@H]1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C[C@H]1n1cc[nH+]c1 ZINC000122794374 838376203 /nfs/dbraw/zinc/37/62/03/838376203.db2.gz JNNVGMREMSVZTP-OXJNMPFZSA-N 1 2 390.443 3.650 20 30 GHEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000046341561 839501586 /nfs/dbraw/zinc/50/15/86/839501586.db2.gz IBEITSRAMITSJH-KZNAEPCWSA-N 1 2 393.487 3.573 20 30 GHEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@H](OCc3ccccc3F)C2)c1C#N ZINC000548097306 839585496 /nfs/dbraw/zinc/58/54/96/839585496.db2.gz YOUMSYIUBMLNIE-SFHVURJKSA-N 1 2 382.435 3.665 20 30 GHEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@H](OCc3ccccc3F)C2)c1C#N ZINC000548097306 839585502 /nfs/dbraw/zinc/58/55/02/839585502.db2.gz YOUMSYIUBMLNIE-SFHVURJKSA-N 1 2 382.435 3.665 20 30 GHEDLO N#Cc1ccc(Oc2cccc(NC(=O)C(=O)Nc3ccc4[nH+]ccn4c3)c2)cc1 ZINC000580692820 840015640 /nfs/dbraw/zinc/01/56/40/840015640.db2.gz RJCFFHZTLUZDGZ-UHFFFAOYSA-N 1 2 397.394 3.575 20 30 GHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H]1CCN(Cc2ccc(OC)cc2)C1=O ZINC000660541331 840844018 /nfs/dbraw/zinc/84/40/18/840844018.db2.gz WBDINTNXSQEVGE-QFIPXVFZSA-N 1 2 396.535 3.652 20 30 GHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H]1CCN(Cc2ccc(OC)cc2)C1=O ZINC000660541331 840844028 /nfs/dbraw/zinc/84/40/28/840844028.db2.gz WBDINTNXSQEVGE-QFIPXVFZSA-N 1 2 396.535 3.652 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N(C)Cc2cccc(C#N)c2)C[C@H](C)O1 ZINC000047569782 841021147 /nfs/dbraw/zinc/02/11/47/841021147.db2.gz BOAUAPZHAMTPDL-HDICACEKSA-N 1 2 392.503 3.831 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N(C)Cc2cccc(C#N)c2)C[C@H](C)O1 ZINC000047569782 841021156 /nfs/dbraw/zinc/02/11/56/841021156.db2.gz BOAUAPZHAMTPDL-HDICACEKSA-N 1 2 392.503 3.831 20 30 GHEDLO COc1cc(C(N)=[NH+]OCc2cccc(OC(F)F)c2)ccc1OC(F)F ZINC000050957020 841246014 /nfs/dbraw/zinc/24/60/14/841246014.db2.gz GFAQXBBWIWAPIX-UHFFFAOYSA-N 1 2 388.317 3.735 20 30 GHEDLO C=CC[N@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)[C@H](C)COC ZINC000661247073 841570058 /nfs/dbraw/zinc/57/00/58/841570058.db2.gz LZZNFXMTVHHBNW-NVXWUHKLSA-N 1 2 387.505 3.542 20 30 GHEDLO C=CC[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)[C@H](C)COC ZINC000661247073 841570068 /nfs/dbraw/zinc/57/00/68/841570068.db2.gz LZZNFXMTVHHBNW-NVXWUHKLSA-N 1 2 387.505 3.542 20 30 GHEDLO Cn1cc(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3Cl)CC2)cc1C#N ZINC000566646567 841881266 /nfs/dbraw/zinc/88/12/66/841881266.db2.gz OZVLFQGSQATUIN-UHFFFAOYSA-N 1 2 382.817 3.891 20 30 GHEDLO N#Cc1ccc(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1F ZINC000570692387 842312562 /nfs/dbraw/zinc/31/25/62/842312562.db2.gz CVVZOAACUOOXIH-WOJBJXKFSA-N 1 2 375.407 3.944 20 30 GHEDLO C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H](C)N1CC#Cc1ccc(F)cc1 ZINC000187110839 842893905 /nfs/dbraw/zinc/89/39/05/842893905.db2.gz HBRHPOLYSIYRTD-BGYRXZFFSA-N 1 2 378.466 3.763 20 30 GHEDLO C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H](C)N1CC#Cc1ccc(F)cc1 ZINC000187110839 842893912 /nfs/dbraw/zinc/89/39/12/842893912.db2.gz HBRHPOLYSIYRTD-BGYRXZFFSA-N 1 2 378.466 3.763 20 30 GHEDLO C[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@H](C)[N@H+]1CC#Cc1ccc(F)cc1 ZINC000187110839 842893919 /nfs/dbraw/zinc/89/39/19/842893919.db2.gz HBRHPOLYSIYRTD-BGYRXZFFSA-N 1 2 378.466 3.763 20 30 GHEDLO C[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@H](C)[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000187110839 842893928 /nfs/dbraw/zinc/89/39/28/842893928.db2.gz HBRHPOLYSIYRTD-BGYRXZFFSA-N 1 2 378.466 3.763 20 30 GHEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCC#Cc2cccc(F)c2)c(C)c1 ZINC000512193732 842964337 /nfs/dbraw/zinc/96/43/37/842964337.db2.gz GOAITIGDKXNETJ-JOCHJYFZSA-N 1 2 390.462 3.731 20 30 GHEDLO O=C(NCC#Cc1cccc(F)c1)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000549588956 843007595 /nfs/dbraw/zinc/00/75/95/843007595.db2.gz DONVYMQFLXSFSI-FCHUYYIVSA-N 1 2 388.446 3.602 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H]1CCCN(c2cc(C)ccc2F)C1=O ZINC000512212182 843099988 /nfs/dbraw/zinc/09/99/88/843099988.db2.gz KFXLEPQXJNSOFA-FQEVSTJZSA-N 1 2 386.467 3.793 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H]1CCCN(c2cc(C)ccc2F)C1=O ZINC000512212182 843099997 /nfs/dbraw/zinc/09/99/97/843099997.db2.gz KFXLEPQXJNSOFA-FQEVSTJZSA-N 1 2 386.467 3.793 20 30 GHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H]1c1ccccc1Br ZINC000610676197 843507218 /nfs/dbraw/zinc/50/72/18/843507218.db2.gz DVWVZHLXSIJCRQ-WMZOPIPTSA-N 1 2 378.314 3.640 20 30 GHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H]1c1ccccc1Br ZINC000610676197 843507226 /nfs/dbraw/zinc/50/72/26/843507226.db2.gz DVWVZHLXSIJCRQ-WMZOPIPTSA-N 1 2 378.314 3.640 20 30 GHEDLO C[C@@H](C(=O)NCC1CCCCC1)[N@@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000329439813 861426130 /nfs/dbraw/zinc/42/61/30/861426130.db2.gz MSCYJMQKSOJXLI-KRWDZBQOSA-N 1 2 389.515 3.899 20 30 GHEDLO C[C@@H](C(=O)NCC1CCCCC1)[N@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000329439813 861426142 /nfs/dbraw/zinc/42/61/42/861426142.db2.gz MSCYJMQKSOJXLI-KRWDZBQOSA-N 1 2 389.515 3.899 20 30 GHEDLO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1nc(C(F)(F)F)cs1 ZINC000278893811 843584918 /nfs/dbraw/zinc/58/49/18/843584918.db2.gz JCBRBHILJWVESJ-MRVPVSSYSA-N 1 2 388.802 3.976 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](Cc3ccn(-c4ccccc4)n3)CC2)c(F)c1 ZINC000512842005 843866568 /nfs/dbraw/zinc/86/65/68/843866568.db2.gz XPPKHIHGHWCTOO-UHFFFAOYSA-N 1 2 376.435 3.926 20 30 GHEDLO C#CCOc1cccc(NC(=O)N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)c1 ZINC000731113041 861475553 /nfs/dbraw/zinc/47/55/53/861475553.db2.gz SPVUKOQNNYWICH-GOSISDBHSA-N 1 2 393.487 3.618 20 30 GHEDLO COc1ccc([C@H]2CC[N@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)cc1F ZINC000599678129 861475895 /nfs/dbraw/zinc/47/58/95/861475895.db2.gz IVABIGABUOFDAN-HNNXBMFYSA-N 1 2 387.842 3.787 20 30 GHEDLO COc1ccc([C@H]2CC[N@@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)cc1F ZINC000599678129 861475902 /nfs/dbraw/zinc/47/59/02/861475902.db2.gz IVABIGABUOFDAN-HNNXBMFYSA-N 1 2 387.842 3.787 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(Cl)c4ncccc34)CC2)cc1 ZINC000512928728 844005584 /nfs/dbraw/zinc/00/55/84/844005584.db2.gz KIVGAWQPYYEMQF-UHFFFAOYSA-N 1 2 390.874 3.718 20 30 GHEDLO CC1(C)C[N@@H+](C2(C/N=C/c3cc([N+](=O)[O-])ccc3O)CCCCC2)CCO1 ZINC000731155447 861490418 /nfs/dbraw/zinc/49/04/18/861490418.db2.gz HACCINHKUFASFL-FYJGNVAPSA-N 1 2 375.469 3.533 20 30 GHEDLO CC1(C)C[N@H+](C2(C/N=C/c3cc([N+](=O)[O-])ccc3O)CCCCC2)CCO1 ZINC000731155447 861490422 /nfs/dbraw/zinc/49/04/22/861490422.db2.gz HACCINHKUFASFL-FYJGNVAPSA-N 1 2 375.469 3.533 20 30 GHEDLO CCOc1ccc(C[NH+]2CCN(C(=O)N[C@@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000047051973 844752406 /nfs/dbraw/zinc/75/24/06/844752406.db2.gz JXFBOQCRLZPNCN-SFHVURJKSA-N 1 2 392.503 3.545 20 30 GHEDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)C2)[nH]1 ZINC000329472366 861493464 /nfs/dbraw/zinc/49/34/64/861493464.db2.gz OHCGRYMUNIWTNU-DGCLKSJQSA-N 1 2 381.402 3.988 20 30 GHEDLO Cc1nnc([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)C2)[nH]1 ZINC000329472366 861493473 /nfs/dbraw/zinc/49/34/73/861493473.db2.gz OHCGRYMUNIWTNU-DGCLKSJQSA-N 1 2 381.402 3.988 20 30 GHEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC001167497518 844883110 /nfs/dbraw/zinc/88/31/10/844883110.db2.gz ZWIJIAOATDTRKB-IAGOWNOFSA-N 1 2 396.922 3.917 20 30 GHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCC[C@@H]2C(F)F)c1C#N ZINC000513171671 844995003 /nfs/dbraw/zinc/99/50/03/844995003.db2.gz CJPNSANYNGCXRZ-QGZVFWFLSA-N 1 2 390.434 3.676 20 30 GHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCC[C@@H]2C(F)F)c1C#N ZINC000513171671 844995010 /nfs/dbraw/zinc/99/50/10/844995010.db2.gz CJPNSANYNGCXRZ-QGZVFWFLSA-N 1 2 390.434 3.676 20 30 GHEDLO N#Cc1cc([N+](=O)[O-])cnc1NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000513195041 845020530 /nfs/dbraw/zinc/02/05/30/845020530.db2.gz WSVUFUDSUZFWFG-INIZCTEOSA-N 1 2 389.818 3.903 20 30 GHEDLO Cc1ccc2c(CC(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)coc2c1C ZINC000512696302 845059384 /nfs/dbraw/zinc/05/93/84/845059384.db2.gz WCGLCHOACQQFAQ-UHFFFAOYSA-N 1 2 387.483 3.808 20 30 GHEDLO N#Cc1c(NC(=O)C[N@@H+]2CCOCC3(CCCC3)C2)sc2c1CCCCC2 ZINC000614222677 845289126 /nfs/dbraw/zinc/28/91/26/845289126.db2.gz XIFFMFLVSJWHDE-UHFFFAOYSA-N 1 2 387.549 3.720 20 30 GHEDLO N#Cc1c(NC(=O)C[N@H+]2CCOCC3(CCCC3)C2)sc2c1CCCCC2 ZINC000614222677 845289150 /nfs/dbraw/zinc/28/91/50/845289150.db2.gz XIFFMFLVSJWHDE-UHFFFAOYSA-N 1 2 387.549 3.720 20 30 GHEDLO C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282438381 861552141 /nfs/dbraw/zinc/55/21/41/861552141.db2.gz FUGHLHCFXXAIEX-MRXNPFEDSA-N 1 2 396.466 3.782 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)c(C#N)c1C ZINC000555685987 861582175 /nfs/dbraw/zinc/58/21/75/861582175.db2.gz NNPXDTFSSOMKTP-GUYCJALGSA-N 1 2 387.867 3.902 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)c(C#N)c1C ZINC000555685987 861582180 /nfs/dbraw/zinc/58/21/80/861582180.db2.gz NNPXDTFSSOMKTP-GUYCJALGSA-N 1 2 387.867 3.902 20 30 GHEDLO Cc1cc(Cl)ccc1C[NH+]1CCN([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000511067302 846246517 /nfs/dbraw/zinc/24/65/17/846246517.db2.gz UYHKXSAFLHPPMA-QGZVFWFLSA-N 1 2 396.922 3.665 20 30 GHEDLO C[C@H](c1cccnc1)[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000501040498 846565072 /nfs/dbraw/zinc/56/50/72/846565072.db2.gz RBSIHRBKSMVYQJ-BEFAXECRSA-N 1 2 385.309 3.788 20 30 GHEDLO C=CCNC(=O)c1cccc(-c2noc([C@@H](c3cccc(Cl)c3)[NH+](C)C)n2)c1 ZINC000582571555 847662856 /nfs/dbraw/zinc/66/28/56/847662856.db2.gz KPZZLTYNSININD-GOSISDBHSA-N 1 2 396.878 3.957 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000126792453 849820388 /nfs/dbraw/zinc/82/03/88/849820388.db2.gz OFUTWPAHNSRXFV-YLJYHZDGSA-N 1 2 395.528 3.920 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000126792453 849820396 /nfs/dbraw/zinc/82/03/96/849820396.db2.gz OFUTWPAHNSRXFV-YLJYHZDGSA-N 1 2 395.528 3.920 20 30 GHEDLO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000156328502 849870336 /nfs/dbraw/zinc/87/03/36/849870336.db2.gz HEYYXTNMMIFEOD-ZDUSSCGKSA-N 1 2 392.272 3.562 20 30 GHEDLO Cc1cc(C[NH+]2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)ccc1C#N ZINC000486787889 850094756 /nfs/dbraw/zinc/09/47/56/850094756.db2.gz LPYVXMSDVRHWAT-UHFFFAOYSA-N 1 2 377.532 3.727 20 30 GHEDLO C=C(C)COc1cc(C[N@H+](C)CC(=O)Nc2cc(F)cc(F)c2)ccc1OC ZINC000514083372 851219427 /nfs/dbraw/zinc/21/94/27/851219427.db2.gz KXZZKXVDOOGRCH-UHFFFAOYSA-N 1 2 390.430 3.999 20 30 GHEDLO C=C(C)COc1cc(C[N@@H+](C)CC(=O)Nc2cc(F)cc(F)c2)ccc1OC ZINC000514083372 851219437 /nfs/dbraw/zinc/21/94/37/851219437.db2.gz KXZZKXVDOOGRCH-UHFFFAOYSA-N 1 2 390.430 3.999 20 30 GHEDLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C#N)oc1C ZINC000436165318 851279248 /nfs/dbraw/zinc/27/92/48/851279248.db2.gz XJYISZWQZOYLEM-BTYIYWSLSA-N 1 2 380.492 3.536 20 30 GHEDLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C#N)oc1C ZINC000436165318 851279255 /nfs/dbraw/zinc/27/92/55/851279255.db2.gz XJYISZWQZOYLEM-BTYIYWSLSA-N 1 2 380.492 3.536 20 30 GHEDLO CC[C@@H]1C[C@H](C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)CC(=O)N1 ZINC000329722644 862237184 /nfs/dbraw/zinc/23/71/84/862237184.db2.gz CLLHXFZSTQPYHK-LKCYJCQHSA-N 1 2 393.915 3.813 20 30 GHEDLO CC[C@@H]1C[C@H](C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)CC(=O)N1 ZINC000329722644 862237203 /nfs/dbraw/zinc/23/72/03/862237203.db2.gz CLLHXFZSTQPYHK-LKCYJCQHSA-N 1 2 393.915 3.813 20 30 GHEDLO COc1cc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c([N+](=O)[O-])cc1F ZINC000184200906 851687391 /nfs/dbraw/zinc/68/73/91/851687391.db2.gz SSFHWMOAYXPGPB-UHFFFAOYSA-N 1 2 385.395 3.658 20 30 GHEDLO C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000329837906 862360542 /nfs/dbraw/zinc/36/05/42/862360542.db2.gz MFVPMQURDTYGNJ-MOXGXCLJSA-N 1 2 385.508 3.679 20 30 GHEDLO C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000329837906 862360565 /nfs/dbraw/zinc/36/05/65/862360565.db2.gz MFVPMQURDTYGNJ-MOXGXCLJSA-N 1 2 385.508 3.679 20 30 GHEDLO CC(=[NH+][N-]c1[nH]c2cc(F)c(F)cc2[nH+]1)c1ccc(N2CCOCC2)c(F)c1 ZINC000912825258 852759232 /nfs/dbraw/zinc/75/92/32/852759232.db2.gz OARHQHJMHVLYLT-UHFFFAOYSA-N 1 2 389.381 3.653 20 30 GHEDLO C[N@H+](Cc1ccc(C#N)cc1OC(F)F)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000437158394 852819227 /nfs/dbraw/zinc/81/92/27/852819227.db2.gz ZXAMDVBULINDKA-QGZVFWFLSA-N 1 2 389.377 3.536 20 30 GHEDLO C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000437158394 852819236 /nfs/dbraw/zinc/81/92/36/852819236.db2.gz ZXAMDVBULINDKA-QGZVFWFLSA-N 1 2 389.377 3.536 20 30 GHEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCc2ccc(CC#N)cc2)C[C@H](C)O1 ZINC000518524937 853471724 /nfs/dbraw/zinc/47/17/24/853471724.db2.gz VJWIQCKHEMVNIF-ROUUACIJSA-N 1 2 392.503 3.684 20 30 GHEDLO Cc1sc(NC(=O)C[NH+]2CCC(OC3CCCCC3)CC2)c(C#N)c1C ZINC000571235084 853812493 /nfs/dbraw/zinc/81/24/93/853812493.db2.gz ZHEHNVGKBHAZGV-UHFFFAOYSA-N 1 2 375.538 3.989 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCC[C@@H]3C(F)(F)F)CC2)cc1 ZINC000044879174 853884601 /nfs/dbraw/zinc/88/46/01/853884601.db2.gz WZSARMJEJXXGEV-ROUUACIJSA-N 1 2 379.426 3.571 20 30 GHEDLO N#CCc1cccc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000520347370 854115086 /nfs/dbraw/zinc/11/50/86/854115086.db2.gz ZMLHXYGDNCPGGV-IBGZPJMESA-N 1 2 385.870 3.940 20 30 GHEDLO N#CCc1cccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000520347370 854115090 /nfs/dbraw/zinc/11/50/90/854115090.db2.gz ZMLHXYGDNCPGGV-IBGZPJMESA-N 1 2 385.870 3.940 20 30 GHEDLO N#Cc1cc(Br)ccc1C[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000588199229 854212364 /nfs/dbraw/zinc/21/23/64/854212364.db2.gz YYFKVVBDTRGREJ-HDICACEKSA-N 1 2 382.305 3.889 20 30 GHEDLO N#Cc1cc(Br)ccc1C[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000588199229 854212371 /nfs/dbraw/zinc/21/23/71/854212371.db2.gz YYFKVVBDTRGREJ-HDICACEKSA-N 1 2 382.305 3.889 20 30 GHEDLO Cc1cn2c([nH+]1)[C@@H](CNC([O-])=[NH+]CCc1ccc(Br)s1)CCC2 ZINC000328662413 854494388 /nfs/dbraw/zinc/49/43/88/854494388.db2.gz XIWCVQCSSISBLH-GFCCVEGCSA-N 1 2 397.342 3.639 20 30 GHEDLO O=C(N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCc2cc(F)ccc2C1)C1CCCCC1 ZINC000328776175 854536260 /nfs/dbraw/zinc/53/62/60/854536260.db2.gz KXAFDUJJQPXDOT-HXUWFJFHSA-N 1 2 398.482 3.582 20 30 GHEDLO O=C(N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCc2cc(F)ccc2C1)C1CCCCC1 ZINC000328776175 854536271 /nfs/dbraw/zinc/53/62/71/854536271.db2.gz KXAFDUJJQPXDOT-HXUWFJFHSA-N 1 2 398.482 3.582 20 30 GHEDLO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)c1 ZINC000330125321 862595900 /nfs/dbraw/zinc/59/59/00/862595900.db2.gz LVKPYSPQADMYMB-QEEYODRMSA-N 1 2 375.469 3.541 20 30 GHEDLO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)c1 ZINC000330125321 862595909 /nfs/dbraw/zinc/59/59/09/862595909.db2.gz LVKPYSPQADMYMB-QEEYODRMSA-N 1 2 375.469 3.541 20 30 GHEDLO C#CCOc1ccccc1NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000186263557 854810610 /nfs/dbraw/zinc/81/06/10/854810610.db2.gz HZTSGYVDOZDYCS-QZTJIDSGSA-N 1 2 393.487 3.952 20 30 GHEDLO N#C[C@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)c1ccc(Cl)cc1 ZINC000159383249 862613645 /nfs/dbraw/zinc/61/36/45/862613645.db2.gz BDNWTFQUOKBPIN-OALUTQOASA-N 1 2 385.920 3.811 20 30 GHEDLO CCOC(=O)C[C@H](c1ccccc1)C1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000589497127 854909159 /nfs/dbraw/zinc/90/91/59/854909159.db2.gz CNLLBUHSUHJIBG-LJQANCHMSA-N 1 2 383.517 3.964 20 30 GHEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000054538902 855164543 /nfs/dbraw/zinc/16/45/43/855164543.db2.gz GBZZFEVYOXIGJP-UHFFFAOYSA-N 1 2 379.464 3.531 20 30 GHEDLO Cc1nc(NC(=O)[C@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)sc1C ZINC000507773304 855568239 /nfs/dbraw/zinc/56/82/39/855568239.db2.gz UFTSIXIDYQKGFG-AWEZNQCLSA-N 1 2 384.505 3.502 20 30 GHEDLO O=C(C1CCCCC1)N1CC[NH+](CC/N=C/c2c(O)ccc3ccccc32)CC1 ZINC000733081356 862697893 /nfs/dbraw/zinc/69/78/93/862697893.db2.gz WBUZYBVQZBMRFI-XIEYBQDHSA-N 1 2 393.531 3.689 20 30 GHEDLO CC(C)(C)Oc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)cc1C#N ZINC000590869749 855637450 /nfs/dbraw/zinc/63/74/50/855637450.db2.gz FKCQVCKFEDSXOF-LJQANCHMSA-N 1 2 378.476 3.734 20 30 GHEDLO CC(C)(C)Oc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)cc1C#N ZINC000590869749 855637451 /nfs/dbraw/zinc/63/74/51/855637451.db2.gz FKCQVCKFEDSXOF-LJQANCHMSA-N 1 2 378.476 3.734 20 30 GHEDLO O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045676177 855686172 /nfs/dbraw/zinc/68/61/72/855686172.db2.gz VLKNPCHSLAIUKH-UHFFFAOYSA-N 1 2 378.435 3.979 20 30 GHEDLO COc1ccc(C[NH+]2CCN(c3ccc4cc(C#N)ccc4n3)CC2)cc1F ZINC000301805682 855761415 /nfs/dbraw/zinc/76/14/15/855761415.db2.gz FCEZCCVXUBXRSL-UHFFFAOYSA-N 1 2 376.435 3.576 20 30 GHEDLO COc1ccc([C@@H](CNc2ccc3cc(C#N)ccc3n2)[NH+]2CCOCC2)cc1 ZINC000301824028 855763907 /nfs/dbraw/zinc/76/39/07/855763907.db2.gz NNDSYMVROPEQSK-JOCHJYFZSA-N 1 2 388.471 3.600 20 30 GHEDLO N#Cc1ccccc1-c1ccc(CNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)cc1 ZINC000301956196 855787789 /nfs/dbraw/zinc/78/77/89/855787789.db2.gz LNVBKKVAAAXFTF-IBGZPJMESA-N 1 2 399.498 3.836 20 30 GHEDLO N#Cc1ccccc1-c1ccc(CNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)cc1 ZINC000301956196 855787795 /nfs/dbraw/zinc/78/77/95/855787795.db2.gz LNVBKKVAAAXFTF-IBGZPJMESA-N 1 2 399.498 3.836 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC([C@H](O)c3ccc(F)cc3)CC2)c(C#N)c1C ZINC000108386573 855856682 /nfs/dbraw/zinc/85/66/82/855856682.db2.gz PXZYBZIENLVGPO-JLTOFOAXSA-N 1 2 399.466 3.680 20 30 GHEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000109356897 856284206 /nfs/dbraw/zinc/28/42/06/856284206.db2.gz XBWUWIWGXZLOGH-HXUWFJFHSA-N 1 2 389.434 3.659 20 30 GHEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000109356897 856284213 /nfs/dbraw/zinc/28/42/13/856284213.db2.gz XBWUWIWGXZLOGH-HXUWFJFHSA-N 1 2 389.434 3.659 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](CC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)cc1 ZINC000507845562 856531057 /nfs/dbraw/zinc/53/10/57/856531057.db2.gz BVKPYBIMPPXMLP-UHFFFAOYSA-N 1 2 394.862 3.565 20 30 GHEDLO CC(C)(C)OC(=O)N1CCN(c2ccc(N[C@@H]3CCC[C@H](C#N)C3)[nH+]c2)CC1 ZINC000765938260 856567429 /nfs/dbraw/zinc/56/74/29/856567429.db2.gz ZMEXVTRPNLVMEY-DLBZAZTESA-N 1 2 385.512 3.633 20 30 GHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCC(F)(F)[C@@H](C)C2)c1C#N ZINC000554945794 857115011 /nfs/dbraw/zinc/11/50/11/857115011.db2.gz KFTUTPWTJPOOFE-AWEZNQCLSA-N 1 2 386.446 3.881 20 30 GHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CCC(F)(F)[C@@H](C)C2)c1C#N ZINC000554945794 857115018 /nfs/dbraw/zinc/11/50/18/857115018.db2.gz KFTUTPWTJPOOFE-AWEZNQCLSA-N 1 2 386.446 3.881 20 30 GHEDLO CCO[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000255337546 857718363 /nfs/dbraw/zinc/71/83/63/857718363.db2.gz VVIWRBFWXKOJSN-HUUCEWRRSA-N 1 2 375.538 3.717 20 30 GHEDLO CCO[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000255337546 857718369 /nfs/dbraw/zinc/71/83/69/857718369.db2.gz VVIWRBFWXKOJSN-HUUCEWRRSA-N 1 2 375.538 3.717 20 30 GHEDLO C[N@H+](CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)Cc1ccc(C#N)cc1 ZINC000046527279 858047739 /nfs/dbraw/zinc/04/77/39/858047739.db2.gz BPJMWXCGQCMOKU-IBGZPJMESA-N 1 2 388.427 3.554 20 30 GHEDLO C[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)Cc1ccc(C#N)cc1 ZINC000046527279 858047746 /nfs/dbraw/zinc/04/77/46/858047746.db2.gz BPJMWXCGQCMOKU-IBGZPJMESA-N 1 2 388.427 3.554 20 30 GHEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168597102 858081316 /nfs/dbraw/zinc/08/13/16/858081316.db2.gz RJWZLEUNJYWEKV-ACIOBRDBSA-N 1 2 395.499 3.845 20 30 GHEDLO C=C1CC[NH+]([C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2OCCOC)CC1 ZINC000594733991 858267905 /nfs/dbraw/zinc/26/79/05/858267905.db2.gz WZAUPDJHHYXOLF-AWEZNQCLSA-N 1 2 386.414 3.710 20 30 GHEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@H]2c2cccc(Br)c2)c1 ZINC000521814628 858338777 /nfs/dbraw/zinc/33/87/77/858338777.db2.gz GYJOZILVQRKIJT-IBGZPJMESA-N 1 2 398.304 3.774 20 30 GHEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@H]2c2cccc(Br)c2)c1 ZINC000521814628 858338785 /nfs/dbraw/zinc/33/87/85/858338785.db2.gz GYJOZILVQRKIJT-IBGZPJMESA-N 1 2 398.304 3.774 20 30 GHEDLO C=C(C)CN(Cc1ccc(CO)o1)c1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000624212294 863027292 /nfs/dbraw/zinc/02/72/92/863027292.db2.gz ARSOGGWVXFHFEY-UHFFFAOYSA-N 1 2 376.460 3.665 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000595499291 858545910 /nfs/dbraw/zinc/54/59/10/858545910.db2.gz FAAODKYKNUOZKN-HUUCEWRRSA-N 1 2 380.517 3.710 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000595499291 858545913 /nfs/dbraw/zinc/54/59/13/858545913.db2.gz FAAODKYKNUOZKN-HUUCEWRRSA-N 1 2 380.517 3.710 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC3(CCCC3)OC(C)(C)C2)cc1 ZINC000443336998 858582436 /nfs/dbraw/zinc/58/24/36/858582436.db2.gz RYDWSWJCOCQIRE-UHFFFAOYSA-N 1 2 399.535 3.756 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC3(CCCC3)OC(C)(C)C2)cc1 ZINC000443336998 858582439 /nfs/dbraw/zinc/58/24/39/858582439.db2.gz RYDWSWJCOCQIRE-UHFFFAOYSA-N 1 2 399.535 3.756 20 30 GHEDLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000595628134 858621349 /nfs/dbraw/zinc/62/13/49/858621349.db2.gz YLEMOMOBINZWLT-HIFRSBDPSA-N 1 2 393.327 3.730 20 30 GHEDLO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000595628134 858621357 /nfs/dbraw/zinc/62/13/57/858621357.db2.gz YLEMOMOBINZWLT-HIFRSBDPSA-N 1 2 393.327 3.730 20 30 GHEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)C1 ZINC000595608992 858629992 /nfs/dbraw/zinc/62/99/92/858629992.db2.gz DLXIBLPFMXPFLK-WBVHZDCISA-N 1 2 382.489 3.644 20 30 GHEDLO N#CC[C@H]1CCC[N@H+](CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)C1 ZINC000595608992 858629999 /nfs/dbraw/zinc/62/99/99/858629999.db2.gz DLXIBLPFMXPFLK-WBVHZDCISA-N 1 2 382.489 3.644 20 30 GHEDLO Cc1ccc(C2=NN(C(=O)C[N@@H+]3CCC[C@H](CC#N)C3)[C@H](c3ccco3)C2)cc1 ZINC000595616163 858631812 /nfs/dbraw/zinc/63/18/12/858631812.db2.gz QTJYSNWCXQECGF-NQIIRXRSSA-N 1 2 390.487 3.891 20 30 GHEDLO Cc1ccc(C2=NN(C(=O)C[N@H+]3CCC[C@H](CC#N)C3)[C@H](c3ccco3)C2)cc1 ZINC000595616163 858631829 /nfs/dbraw/zinc/63/18/29/858631829.db2.gz QTJYSNWCXQECGF-NQIIRXRSSA-N 1 2 390.487 3.891 20 30 GHEDLO COc1cccc([C@@]2(C)CC[N@@H+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)c1 ZINC000595763484 858663417 /nfs/dbraw/zinc/66/34/17/858663417.db2.gz FIKJOWIEZLOFMD-NYHFZMIOSA-N 1 2 381.476 3.767 20 30 GHEDLO COc1cccc([C@@]2(C)CC[N@H+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)c1 ZINC000595763484 858663421 /nfs/dbraw/zinc/66/34/21/858663421.db2.gz FIKJOWIEZLOFMD-NYHFZMIOSA-N 1 2 381.476 3.767 20 30 GHEDLO C=CC[N@H+](Cc1nccn1Cc1ccccc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596211358 858815993 /nfs/dbraw/zinc/81/59/93/858815993.db2.gz TYEPVRLWBBJPEO-LJQANCHMSA-N 1 2 399.502 3.656 20 30 GHEDLO C=CC[N@@H+](Cc1nccn1Cc1ccccc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596211358 858815998 /nfs/dbraw/zinc/81/59/98/858815998.db2.gz TYEPVRLWBBJPEO-LJQANCHMSA-N 1 2 399.502 3.656 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)NC(C)(C)c2cccc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000596536388 858946111 /nfs/dbraw/zinc/94/61/11/858946111.db2.gz WWFGTGLJTIRSMS-UXHICEINSA-N 1 2 398.457 3.816 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)NC(C)(C)c2cccc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000596536388 858946116 /nfs/dbraw/zinc/94/61/16/858946116.db2.gz WWFGTGLJTIRSMS-UXHICEINSA-N 1 2 398.457 3.816 20 30 GHEDLO N#Cc1ccc(CCNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1 ZINC000596673593 858998221 /nfs/dbraw/zinc/99/82/21/858998221.db2.gz UNQQAMOEBUFFFQ-YADHBBJMSA-N 1 2 385.471 3.525 20 30 GHEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000596699954 859016684 /nfs/dbraw/zinc/01/66/84/859016684.db2.gz VCEDHJJHTRZSDD-SJORKVTESA-N 1 2 394.475 3.581 20 30 GHEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000596699954 859016692 /nfs/dbraw/zinc/01/66/92/859016692.db2.gz VCEDHJJHTRZSDD-SJORKVTESA-N 1 2 394.475 3.581 20 30 GHEDLO C[C@@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)Sc1ccccc1 ZINC000466311184 859080148 /nfs/dbraw/zinc/08/01/48/859080148.db2.gz REAUAXLLYXBBFC-SFHVURJKSA-N 1 2 394.544 3.566 20 30 GHEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2n1C(C)C ZINC000483095938 859133670 /nfs/dbraw/zinc/13/36/70/859133670.db2.gz ICQIWMUOUIBKIR-PXNSSMCTSA-N 1 2 381.524 3.762 20 30 GHEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2n1C(C)C ZINC000483095938 859133676 /nfs/dbraw/zinc/13/36/76/859133676.db2.gz ICQIWMUOUIBKIR-PXNSSMCTSA-N 1 2 381.524 3.762 20 30 GHEDLO N#Cc1sccc1N1CC[NH+](Cc2ccccc2OCc2ccncc2)CC1 ZINC000597182938 859342527 /nfs/dbraw/zinc/34/25/27/859342527.db2.gz FJXZJUJZKQYFFK-UHFFFAOYSA-N 1 2 390.512 3.916 20 30 GHEDLO COc1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000597228175 859363306 /nfs/dbraw/zinc/36/33/06/859363306.db2.gz ASYSIJREVLNAJU-NRFANRHFSA-N 1 2 381.432 3.918 20 30 GHEDLO COc1cc(C[N@H+]2CC[C@@](C)(C#N)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000597228175 859363315 /nfs/dbraw/zinc/36/33/15/859363315.db2.gz ASYSIJREVLNAJU-NRFANRHFSA-N 1 2 381.432 3.918 20 30 GHEDLO Cn1cc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)c(C2CCCCC2)n1 ZINC000543395447 859540341 /nfs/dbraw/zinc/54/03/41/859540341.db2.gz ZPWUBBHPBFMNRA-QFIPXVFZSA-N 1 2 377.536 3.850 20 30 GHEDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)CC2(C#N)CCCCC2)c2ccc(Cl)cc2)C1 ZINC000597456820 859546321 /nfs/dbraw/zinc/54/63/21/859546321.db2.gz IKZVAKSCKQITNL-AZUAARDMSA-N 1 2 389.927 3.692 20 30 GHEDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)CC2(C#N)CCCCC2)c2ccc(Cl)cc2)C1 ZINC000597456820 859546323 /nfs/dbraw/zinc/54/63/23/859546323.db2.gz IKZVAKSCKQITNL-AZUAARDMSA-N 1 2 389.927 3.692 20 30 GHEDLO Cc1cn(C(C)(C)C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c[nH+]1 ZINC000895590522 859703426 /nfs/dbraw/zinc/70/34/26/859703426.db2.gz LAWMOENNPQOPTE-UHFFFAOYSA-N 1 2 398.517 3.581 20 30 GHEDLO C=CCOc1ccc(-c2nn(CN3CCC[C@@H](n4cc[nH+]c4)C3)c(=S)o2)cc1 ZINC000765008798 859734769 /nfs/dbraw/zinc/73/47/69/859734769.db2.gz BSPNDSMWDQDPMY-QGZVFWFLSA-N 1 2 397.504 3.928 20 30 GHEDLO C=CCn1c(-c2cccc(OC)c2)nn(C[N@H+](CC)C[C@@H]2CCOC2)c1=S ZINC000765008845 859735956 /nfs/dbraw/zinc/73/59/56/859735956.db2.gz JCFXZYTUYLDQEX-INIZCTEOSA-N 1 2 388.537 3.592 20 30 GHEDLO C=CCn1c(-c2cccc(OC)c2)nn(C[N@@H+](CC)C[C@@H]2CCOC2)c1=S ZINC000765008845 859735961 /nfs/dbraw/zinc/73/59/61/859735961.db2.gz JCFXZYTUYLDQEX-INIZCTEOSA-N 1 2 388.537 3.592 20 30 GHEDLO C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccc(C#N)cc1Br ZINC000611500713 859787583 /nfs/dbraw/zinc/78/75/83/859787583.db2.gz ULYBEEAAZXAZDD-UHFFFAOYSA-N 1 2 398.304 3.845 20 30 GHEDLO C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccc(C#N)cc1Br ZINC000611500713 859787584 /nfs/dbraw/zinc/78/75/84/859787584.db2.gz ULYBEEAAZXAZDD-UHFFFAOYSA-N 1 2 398.304 3.845 20 30 GHEDLO N#C[C@]1(c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)CC2CCC1CC2 ZINC000904500916 860478436 /nfs/dbraw/zinc/47/84/36/860478436.db2.gz QREUAUGMPHLFOD-ORWMALAUSA-N 1 2 378.476 3.540 20 30 GHEDLO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[N@@H+]3CC[C@](C)(O)C3)sc2C1 ZINC000484973901 860546908 /nfs/dbraw/zinc/54/69/08/860546908.db2.gz GJVXIQOFYVKLBP-QKKBWIMNSA-N 1 2 389.565 3.556 20 30 GHEDLO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[N@H+]3CC[C@](C)(O)C3)sc2C1 ZINC000484973901 860546911 /nfs/dbraw/zinc/54/69/11/860546911.db2.gz GJVXIQOFYVKLBP-QKKBWIMNSA-N 1 2 389.565 3.556 20 30 GHEDLO C=C(C)Cn1c([C@H]2CC[C@@H](C)O2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000624980877 860602768 /nfs/dbraw/zinc/60/27/68/860602768.db2.gz CGXFQISOLFAKIN-YLJYHZDGSA-N 1 2 399.514 3.556 20 30 GHEDLO N#Cc1cc(Cl)ccc1C[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000428998794 860645961 /nfs/dbraw/zinc/64/59/61/860645961.db2.gz UNUBMSOGNKYQIG-MRXNPFEDSA-N 1 2 383.648 3.936 20 30 GHEDLO N#Cc1ccc(F)c(CNc2cc(NCc3cc(C#N)ccc3F)[nH+]cn2)c1 ZINC000125767312 860771460 /nfs/dbraw/zinc/77/14/60/860771460.db2.gz ADZHAYHNZJTTLY-UHFFFAOYSA-N 1 2 376.370 3.722 20 30 GHEDLO C[C@H]1C[N@H+](Cc2cc(Br)ccc2C#N)CCC[C@@]1(O)C(F)(F)F ZINC001141894964 860781370 /nfs/dbraw/zinc/78/13/70/860781370.db2.gz WEFFUWQPIOIGIH-NHYWBVRUSA-N 1 2 391.231 3.846 20 30 GHEDLO C[C@H]1C[N@@H+](Cc2cc(Br)ccc2C#N)CCC[C@@]1(O)C(F)(F)F ZINC001141894964 860781374 /nfs/dbraw/zinc/78/13/74/860781374.db2.gz WEFFUWQPIOIGIH-NHYWBVRUSA-N 1 2 391.231 3.846 20 30 GHEDLO N#Cc1cccc([C@H]2C[N@H+](Cc3ccc(OC[C@@H]4CCCO4)cc3)CCO2)c1 ZINC000509070193 860793546 /nfs/dbraw/zinc/79/35/46/860793546.db2.gz MIWKOHUBWBEPFW-XZOQPEGZSA-N 1 2 378.472 3.690 20 30 GHEDLO N#Cc1cccc([C@H]2C[N@@H+](Cc3ccc(OC[C@@H]4CCCO4)cc3)CCO2)c1 ZINC000509070193 860793550 /nfs/dbraw/zinc/79/35/50/860793550.db2.gz MIWKOHUBWBEPFW-XZOQPEGZSA-N 1 2 378.472 3.690 20 30 GHEDLO COc1ccc(-c2cc(C[NH+]3CCN(c4cccc(F)c4C#N)CC3)on2)cc1 ZINC000603602025 860887828 /nfs/dbraw/zinc/88/78/28/860887828.db2.gz HPKZEJKFLKNLTP-UHFFFAOYSA-N 1 2 392.434 3.683 20 30 GHEDLO O=C(CCNC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]12)N1CCN(c2cccc[nH+]2)CC1 ZINC000329019338 860951962 /nfs/dbraw/zinc/95/19/62/860951962.db2.gz RXASCAVYJIIVNZ-XUVXKRRUSA-N 1 2 398.551 3.683 20 30 GHEDLO NC(Cc1ccccc1)=[NH+]OCC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000072001957 864282232 /nfs/dbraw/zinc/28/22/32/864282232.db2.gz KIIBOJSPZGLXQD-UHFFFAOYSA-N 1 2 375.428 3.949 20 30 GHEDLO Fc1ccc(C[NH+]2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)cn1 ZINC000897053917 864369093 /nfs/dbraw/zinc/36/90/93/864369093.db2.gz CQQXKVBCEGEMES-RKDXNWHRSA-N 1 2 378.238 3.824 20 30 GHEDLO N#Cc1cccc(C[N@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n1 ZINC000897056888 864373347 /nfs/dbraw/zinc/37/33/47/864373347.db2.gz ZEQRUPMTDWCJKP-PHIMTYICSA-N 1 2 385.258 3.556 20 30 GHEDLO N#Cc1cccc(C[N@@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n1 ZINC000897056888 864373358 /nfs/dbraw/zinc/37/33/58/864373358.db2.gz ZEQRUPMTDWCJKP-PHIMTYICSA-N 1 2 385.258 3.556 20 30 GHEDLO C=CC[C@H](NC(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1)c1ccncc1 ZINC000734679232 864378552 /nfs/dbraw/zinc/37/85/52/864378552.db2.gz FQSJQMQQSJEFPZ-QFIPXVFZSA-N 1 2 394.519 3.625 20 30 GHEDLO Cc1cc(C#N)ccc1C[NH+]1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000186198552 864448161 /nfs/dbraw/zinc/44/81/61/864448161.db2.gz JEHAUMFMQUTDAX-UHFFFAOYSA-N 1 2 398.304 3.587 20 30 GHEDLO C[C@H]([NH2+]C1(c2ncc(Br)cn2)CCC1)c1ccc(C#N)c(F)c1 ZINC000927144131 864524160 /nfs/dbraw/zinc/52/41/60/864524160.db2.gz CUZWBEQXOOYIFF-NSHDSACASA-N 1 2 375.245 3.980 20 30 GHEDLO COc1ccc(OC)c(C[NH+]2CCN(Cc3ccc(Cl)cc3C#N)CC2)c1 ZINC000480496422 864737828 /nfs/dbraw/zinc/73/78/28/864737828.db2.gz FACKSDURVDSMHG-UHFFFAOYSA-N 1 2 385.895 3.547 20 30 GHEDLO CC(C)N(C)c1ccc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cn1 ZINC000475336410 864809443 /nfs/dbraw/zinc/80/94/43/864809443.db2.gz OHCXGJSBDICUME-OAQYLSRUSA-N 1 2 397.954 3.962 20 30 GHEDLO COc1cc(C[NH+]2CCN(Cc3ccc(Cl)cc3C#N)CC2)cc(OC)c1 ZINC000480546516 864852557 /nfs/dbraw/zinc/85/25/57/864852557.db2.gz ALMZOMZOEJRJKL-UHFFFAOYSA-N 1 2 385.895 3.547 20 30 GHEDLO COc1cc(C[N@H+](C)Cc2ccc(C#N)cc2Br)cc(OC)c1 ZINC000480721095 865139177 /nfs/dbraw/zinc/13/91/77/865139177.db2.gz VVHJYSHAPXMGQI-UHFFFAOYSA-N 1 2 375.266 3.970 20 30 GHEDLO COc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2Br)cc(OC)c1 ZINC000480721095 865139183 /nfs/dbraw/zinc/13/91/83/865139183.db2.gz VVHJYSHAPXMGQI-UHFFFAOYSA-N 1 2 375.266 3.970 20 30 GHEDLO N#Cc1ccc(C2(NC(=O)NCc3ccccc3Cn3cc[nH+]c3)CCC2)cc1 ZINC000594210504 865382968 /nfs/dbraw/zinc/38/29/68/865382968.db2.gz QQKFPSMKFMBARY-UHFFFAOYSA-N 1 2 385.471 3.682 20 30 GHEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000594272922 865642034 /nfs/dbraw/zinc/64/20/34/865642034.db2.gz JGJHJOKXXWIAFX-QZTJIDSGSA-N 1 2 379.479 3.781 20 30 GHEDLO C=C(C)C[C@@H](C)C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000552802762 866291674 /nfs/dbraw/zinc/29/16/74/866291674.db2.gz FNBUFBITPCFBLR-CQSZACIVSA-N 1 2 380.286 3.870 20 30 GHEDLO CC(C)(C#N)CCCC[NH+]1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000444589167 866911988 /nfs/dbraw/zinc/91/19/88/866911988.db2.gz AEXXCYODROMJTM-UHFFFAOYSA-N 1 2 399.560 3.866 20 30 GHEDLO Cc1cc(C(N)=[NH+]OCC(=O)N(Cc2cccc(F)c2)C(C)(C)C)ccc1F ZINC000742353730 867227579 /nfs/dbraw/zinc/22/75/79/867227579.db2.gz BHBNKKYQCCAZJK-UHFFFAOYSA-N 1 2 389.446 3.737 20 30 GHEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(Nc2ccccn2)CC1 ZINC000534860813 867658798 /nfs/dbraw/zinc/65/87/98/867658798.db2.gz QRBHMEFISRARBV-AWEZNQCLSA-N 1 2 383.883 3.510 20 30 GHEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)C[C@H]1c1ccc(Cl)cc1 ZINC000743358993 868108261 /nfs/dbraw/zinc/10/82/61/868108261.db2.gz YJWVJYJSPPRSBC-FQEVSTJZSA-N 1 2 383.879 3.591 20 30 GHEDLO COCC[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)C[C@H]1c1ccc(Cl)cc1 ZINC000743358993 868108276 /nfs/dbraw/zinc/10/82/76/868108276.db2.gz YJWVJYJSPPRSBC-FQEVSTJZSA-N 1 2 383.879 3.591 20 30 GHEDLO CC(C)[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000535151473 868284430 /nfs/dbraw/zinc/28/44/30/868284430.db2.gz XEFUXSKHTQBXQA-QFIPXVFZSA-N 1 2 379.479 3.781 20 30 GHEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000183967471 868837118 /nfs/dbraw/zinc/83/71/18/868837118.db2.gz IKVLJTOGAUHPAP-HNNXBMFYSA-N 1 2 398.304 3.840 20 30 GHEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)c2ccccc2OC(F)F)CC1 ZINC000183981271 868859465 /nfs/dbraw/zinc/85/94/65/868859465.db2.gz URLWSTKVIRZESY-HNNXBMFYSA-N 1 2 385.414 3.679 20 30 GHEDLO C=C[C@@](C)(CC)C(=O)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000190729064 882256143 /nfs/dbraw/zinc/25/61/43/882256143.db2.gz NGYDHBCBPRNGTL-QHCPKHFHSA-N 1 2 396.510 3.766 20 30 GHEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCc2cc(C#N)ccc2F)c(C)c1 ZINC000440867424 869054513 /nfs/dbraw/zinc/05/45/13/869054513.db2.gz YBVNSYWTJVLKEP-OAQYLSRUSA-N 1 2 391.450 3.751 20 30 GHEDLO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000440922055 869261461 /nfs/dbraw/zinc/26/14/61/869261461.db2.gz XNJYQUPKKJIGIP-IBGZPJMESA-N 1 2 389.455 3.707 20 30 GHEDLO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000440922055 869261469 /nfs/dbraw/zinc/26/14/69/869261469.db2.gz XNJYQUPKKJIGIP-IBGZPJMESA-N 1 2 389.455 3.707 20 30 GHEDLO C=CCOc1ccc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1OC ZINC000022290413 870233142 /nfs/dbraw/zinc/23/31/42/870233142.db2.gz XKSVENNEZKJMAZ-UHFFFAOYSA-N 1 2 387.505 3.955 20 30 GHEDLO Cc1ncc(C(=O)NC[C@H](c2ccc(Cl)cc2Cl)[NH+](C)C)cc1C#N ZINC001192300530 870245692 /nfs/dbraw/zinc/24/56/92/870245692.db2.gz STUQBFXZPJPZGF-QGZVFWFLSA-N 1 2 377.275 3.601 20 30 GHEDLO N#Cc1cc(C(=O)N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)c[nH]1 ZINC000181199482 870252578 /nfs/dbraw/zinc/25/25/78/870252578.db2.gz RVHNPCIIYMZIOL-UHFFFAOYSA-N 1 2 394.475 3.712 20 30 GHEDLO C[N@H+](CC(F)F)C1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 ZINC000746319657 870277240 /nfs/dbraw/zinc/27/72/40/870277240.db2.gz GAYIUVPVPKYMTM-UHFFFAOYSA-N 1 2 382.454 3.888 20 30 GHEDLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 ZINC000746319657 870277254 /nfs/dbraw/zinc/27/72/54/870277254.db2.gz GAYIUVPVPKYMTM-UHFFFAOYSA-N 1 2 382.454 3.888 20 30 GHEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCc2c(Br)cccc2C1 ZINC000525409799 870645952 /nfs/dbraw/zinc/64/59/52/870645952.db2.gz OYMKVRUSVRXBIL-UHFFFAOYSA-N 1 2 387.277 3.766 20 30 GHEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCc2c(Br)cccc2C1 ZINC000525409799 870645959 /nfs/dbraw/zinc/64/59/59/870645959.db2.gz OYMKVRUSVRXBIL-UHFFFAOYSA-N 1 2 387.277 3.766 20 30 GHEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCc3cc(Br)cc(F)c3C2)cc1 ZINC000775560356 870803342 /nfs/dbraw/zinc/80/33/42/870803342.db2.gz ILABUQPWJVEVTA-SFHVURJKSA-N 1 2 375.241 3.552 20 30 GHEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCc3cc(Br)cc(F)c3C2)cc1 ZINC000775560356 870803348 /nfs/dbraw/zinc/80/33/48/870803348.db2.gz ILABUQPWJVEVTA-SFHVURJKSA-N 1 2 375.241 3.552 20 30 GHEDLO N#Cc1ccccc1N1CCC[N@@H+](CN2c3cccc4cccc(c34)C2=O)CC1 ZINC000103265877 871563886 /nfs/dbraw/zinc/56/38/86/871563886.db2.gz SAVHRSDWCMRMQO-UHFFFAOYSA-N 1 2 382.467 3.841 20 30 GHEDLO N#Cc1ccccc1N1CCC[N@H+](CN2c3cccc4cccc(c34)C2=O)CC1 ZINC000103265877 871563900 /nfs/dbraw/zinc/56/39/00/871563900.db2.gz SAVHRSDWCMRMQO-UHFFFAOYSA-N 1 2 382.467 3.841 20 30 GHEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000739912555 871629001 /nfs/dbraw/zinc/62/90/01/871629001.db2.gz NHAASROHLWFJEP-QFIPXVFZSA-N 1 2 388.471 3.727 20 30 GHEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000739912555 871629013 /nfs/dbraw/zinc/62/90/13/871629013.db2.gz NHAASROHLWFJEP-QFIPXVFZSA-N 1 2 388.471 3.727 20 30 GHEDLO C[C@H](c1cccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)c1)[NH+]1CCOCC1 ZINC000540722871 872002960 /nfs/dbraw/zinc/00/29/60/872002960.db2.gz YMAXZQZRYRUVDT-QGZVFWFLSA-N 1 2 375.472 3.887 20 30 GHEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(Oc2cccc(F)c2)cc1 ZINC000447700736 872147936 /nfs/dbraw/zinc/14/79/36/872147936.db2.gz NQZWYTJHBSJNTR-UHFFFAOYSA-N 1 2 383.467 3.666 20 30 GHEDLO CC(C)c1cccc(S(=O)(=O)NC2CC[NH+](Cc3ccccc3C#N)CC2)c1 ZINC001195179324 872205320 /nfs/dbraw/zinc/20/53/20/872205320.db2.gz YNRHNWXKYAYAPO-UHFFFAOYSA-N 1 2 397.544 3.625 20 30 GHEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000540862505 872337318 /nfs/dbraw/zinc/33/73/18/872337318.db2.gz FSHCRFUHYXCJLN-HKUYNNGSSA-N 1 2 385.556 3.621 20 30 GHEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000540862505 872337339 /nfs/dbraw/zinc/33/73/39/872337339.db2.gz FSHCRFUHYXCJLN-HKUYNNGSSA-N 1 2 385.556 3.621 20 30 GHEDLO Cc1cc(C)c(NC(=O)[C@H](C)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000022848548 872640507 /nfs/dbraw/zinc/64/05/07/872640507.db2.gz GXJXKHMLSZQAFX-FQEVSTJZSA-N 1 2 390.531 3.628 20 30 GHEDLO CC(C)(C#N)CC[N@@H+]1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC001195927153 872760931 /nfs/dbraw/zinc/76/09/31/872760931.db2.gz DZOSWHNHAFFOCJ-HOTGVXAUSA-N 1 2 385.405 3.602 20 30 GHEDLO CC(C)(C#N)CC[N@H+]1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC001195927153 872760935 /nfs/dbraw/zinc/76/09/35/872760935.db2.gz DZOSWHNHAFFOCJ-HOTGVXAUSA-N 1 2 385.405 3.602 20 30 GHEDLO C=C[C@H](Sc1nnc([C@@H](C)[NH+]2CCCCC2)n1-c1ccccc1)C(=O)OC ZINC000619687548 872900853 /nfs/dbraw/zinc/90/08/53/872900853.db2.gz YSIMSQZGWRWQHX-WBVHZDCISA-N 1 2 386.521 3.634 20 30 GHEDLO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619748848 872984567 /nfs/dbraw/zinc/98/45/67/872984567.db2.gz WKYJCKBUCMUWIA-UHFFFAOYSA-N 1 2 383.300 3.948 20 30 GHEDLO Cc1ccc2[nH+]c(CSCC(=O)NCc3ccc(C#N)c(Cl)c3)cn2c1 ZINC000619775019 872990611 /nfs/dbraw/zinc/99/06/11/872990611.db2.gz JHYLTEFWWROXSM-UHFFFAOYSA-N 1 2 384.892 3.717 20 30 GHEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2ccc(C#N)c(Cl)c2)CC1 ZINC000619769919 873008924 /nfs/dbraw/zinc/00/89/24/873008924.db2.gz SYPASXZEOCRDMC-CQSZACIVSA-N 1 2 388.924 3.862 20 30 GHEDLO C#CCOc1ccccc1CN[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000768231669 873181141 /nfs/dbraw/zinc/18/11/41/873181141.db2.gz PFZMQXSCHHRDHJ-FCHUYYIVSA-N 1 2 384.907 3.514 20 30 GHEDLO C#CCOc1ccccc1CN[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000768231669 873181148 /nfs/dbraw/zinc/18/11/48/873181148.db2.gz PFZMQXSCHHRDHJ-FCHUYYIVSA-N 1 2 384.907 3.514 20 30 GHEDLO N#CCC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000153137279 873222724 /nfs/dbraw/zinc/22/27/24/873222724.db2.gz MLGVQWCQVDNGSH-KRWDZBQOSA-N 1 2 375.388 3.555 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC[C@@H]3c3ccc(F)cc3)CC2)cc1 ZINC000527684458 873490272 /nfs/dbraw/zinc/49/02/72/873490272.db2.gz KEYQNORAMFACIG-FGZHOGPDSA-N 1 2 377.463 3.535 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[NH+]1CCC(C(C)(C)O)CC1 ZINC001197012806 873529842 /nfs/dbraw/zinc/52/98/42/873529842.db2.gz IGNNAOLGGUVMIY-AWEZNQCLSA-N 1 2 389.565 3.699 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000768915513 873683431 /nfs/dbraw/zinc/68/34/31/873683431.db2.gz JPPIUKAFEKTGNI-UHFFFAOYSA-N 1 2 389.411 3.907 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000768915513 873683433 /nfs/dbraw/zinc/68/34/33/873683433.db2.gz JPPIUKAFEKTGNI-UHFFFAOYSA-N 1 2 389.411 3.907 20 30 GHEDLO Cn1cc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c(C2CCCCC2)n1 ZINC000541536468 873823328 /nfs/dbraw/zinc/82/33/28/873823328.db2.gz VXVFXFCAMJJTPF-UHFFFAOYSA-N 1 2 381.499 3.801 20 30 GHEDLO C=CCOc1c(Br)cc(C[N@@H+]2CCOC[C@H](C)C2)cc1OCC ZINC000769458203 874083683 /nfs/dbraw/zinc/08/36/83/874083683.db2.gz YQABAIYFXYPGAS-CQSZACIVSA-N 1 2 384.314 3.881 20 30 GHEDLO C=CCOc1c(Br)cc(C[N@H+]2CCOC[C@H](C)C2)cc1OCC ZINC000769458203 874083697 /nfs/dbraw/zinc/08/36/97/874083697.db2.gz YQABAIYFXYPGAS-CQSZACIVSA-N 1 2 384.314 3.881 20 30 GHEDLO C=CCOc1ccc(CC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)cc1 ZINC000448911757 874196166 /nfs/dbraw/zinc/19/61/66/874196166.db2.gz RDWMACVQFRIMBR-GOSISDBHSA-N 1 2 380.488 3.826 20 30 GHEDLO C[N@@H+](Cc1cc(C#N)ccc1Br)C[C@H]1CCN1C(=O)OC(C)(C)C ZINC001198156611 874252483 /nfs/dbraw/zinc/25/24/83/874252483.db2.gz IEVVKLZYCIALLO-OAHLLOKOSA-N 1 2 394.313 3.762 20 30 GHEDLO C[N@H+](Cc1cc(C#N)ccc1Br)C[C@H]1CCN1C(=O)OC(C)(C)C ZINC001198156611 874252495 /nfs/dbraw/zinc/25/24/95/874252495.db2.gz IEVVKLZYCIALLO-OAHLLOKOSA-N 1 2 394.313 3.762 20 30 GHEDLO Fc1cc(N[NH+]=Cc2ccc(N3CCOCC3)s2)ccc1Br ZINC000769829738 874314285 /nfs/dbraw/zinc/31/42/85/874314285.db2.gz UCKVCJUSZDRTAD-UHFFFAOYSA-N 1 2 384.274 3.932 20 30 GHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(c2ccc(N(C)C)cc2)CC1 ZINC000775881628 874514920 /nfs/dbraw/zinc/51/49/20/874514920.db2.gz CDSKFTMQVTYZJF-QFIPXVFZSA-N 1 2 377.488 3.718 20 30 GHEDLO Cc1sc2ncn(N=Cc3cccc4[nH+]ccn43)c(=O)c2c1-c1ccccc1 ZINC000771089476 875034615 /nfs/dbraw/zinc/03/46/15/875034615.db2.gz RKTQJQZMBVOHBN-UHFFFAOYSA-N 1 2 385.452 3.963 20 30 GHEDLO CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000776077660 875309140 /nfs/dbraw/zinc/30/91/40/875309140.db2.gz PGRSHRWSAIJIEN-FQEVSTJZSA-N 1 2 386.455 3.958 20 30 GHEDLO C[C@@H](CC#N)N[NH+]=CC1=C(N2CCOCC2)/C(=C\c2ccc(Cl)cc2)CC1 ZINC000771886213 875514313 /nfs/dbraw/zinc/51/43/13/875514313.db2.gz ODFZHJFBZCWWTB-YXPJKBNSSA-N 1 2 384.911 3.981 20 30 GHEDLO Cc1ccc(Br)cc1C[N@@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000450618961 876692522 /nfs/dbraw/zinc/69/25/22/876692522.db2.gz VXONEWUWTPWLPG-QRWLVFNGSA-N 1 2 396.288 3.603 20 30 GHEDLO Cc1ccc(Br)cc1C[N@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000450618961 876692526 /nfs/dbraw/zinc/69/25/26/876692526.db2.gz VXONEWUWTPWLPG-QRWLVFNGSA-N 1 2 396.288 3.603 20 30 GHEDLO C=CC[N@@H+](CCc1ccco1)CN1C[C@H](c2cc(F)c(F)c(F)c2)CC1=O ZINC000787226215 877280298 /nfs/dbraw/zinc/28/02/98/877280298.db2.gz HWXLURIYESGWMN-OAHLLOKOSA-N 1 2 378.394 3.701 20 30 GHEDLO C=CC[N@H+](CCc1ccco1)CN1C[C@H](c2cc(F)c(F)c(F)c2)CC1=O ZINC000787226215 877280307 /nfs/dbraw/zinc/28/03/07/877280307.db2.gz HWXLURIYESGWMN-OAHLLOKOSA-N 1 2 378.394 3.701 20 30 GHEDLO CC[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1F ZINC000610026662 877316169 /nfs/dbraw/zinc/31/61/69/877316169.db2.gz BNYSAVOMXDLNNP-OAQYLSRUSA-N 1 2 398.457 3.815 20 30 GHEDLO C=CCCS(=O)(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC000551554443 877423806 /nfs/dbraw/zinc/42/38/06/877423806.db2.gz YZCOLPFRJVTCTN-OAHLLOKOSA-N 1 2 398.878 3.761 20 30 GHEDLO C=CCCS(=O)(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC000551554443 877423812 /nfs/dbraw/zinc/42/38/12/877423812.db2.gz YZCOLPFRJVTCTN-OAHLLOKOSA-N 1 2 398.878 3.761 20 30 GHEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(c3nc(C(F)(F)F)cs3)CC2)cc1 ZINC000451293734 877734768 /nfs/dbraw/zinc/73/47/68/877734768.db2.gz IHJNVXRIGVZBKA-UHFFFAOYSA-N 1 2 394.422 3.852 20 30 GHEDLO C=C[C@@H](CC(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1)c1ccccc1 ZINC000533932968 877786915 /nfs/dbraw/zinc/78/69/15/877786915.db2.gz MFCIJTIULHRNRY-FQEVSTJZSA-N 1 2 394.515 3.578 20 30 GHEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000852327931 878244049 /nfs/dbraw/zinc/24/40/49/878244049.db2.gz WRSNUGCKBIDQLW-QPPBQGQZSA-N 1 2 388.515 3.523 20 30 GHEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000852327931 878244063 /nfs/dbraw/zinc/24/40/63/878244063.db2.gz WRSNUGCKBIDQLW-QPPBQGQZSA-N 1 2 388.515 3.523 20 30 GHEDLO CCC(CC)[C@H](C(=O)Nc1cccc(C#Cc2ccccn2)c1)[NH+]1CCOCC1 ZINC000460675605 878362491 /nfs/dbraw/zinc/36/24/91/878362491.db2.gz HRJMXHNTFZDLLN-HSZRJFAPSA-N 1 2 391.515 3.557 20 30 GHEDLO N#Cc1cccc(C[N@@H+]2CC[C@H](c3ccccc3)[C@H](NC(=O)C(F)(F)F)C2)c1 ZINC000852672178 878508341 /nfs/dbraw/zinc/50/83/41/878508341.db2.gz PDCNWGAELZOMSA-RTBURBONSA-N 1 2 387.405 3.595 20 30 GHEDLO N#Cc1cccc(C[N@H+]2CC[C@H](c3ccccc3)[C@H](NC(=O)C(F)(F)F)C2)c1 ZINC000852672178 878508358 /nfs/dbraw/zinc/50/83/58/878508358.db2.gz PDCNWGAELZOMSA-RTBURBONSA-N 1 2 387.405 3.595 20 30 GHEDLO N#Cc1cccc(-c2nnc(C[NH2+][C@H](c3cccs3)C3(CO)CCC3)o2)c1 ZINC000452056565 878917131 /nfs/dbraw/zinc/91/71/31/878917131.db2.gz FBJGMQVMVHORPH-GOSISDBHSA-N 1 2 380.473 3.663 20 30 GHEDLO COC(=O)c1cccc(N[NH+]=Cc2sc(N3CCCC3)nc2Cl)c1C ZINC000853398184 879003699 /nfs/dbraw/zinc/00/36/99/879003699.db2.gz SZFFZZLLBZHXDU-UHFFFAOYSA-N 1 2 378.885 3.938 20 30 GHEDLO C#CCn1ccc(C[N@@H+](CC)Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)n1 ZINC000789761391 879239988 /nfs/dbraw/zinc/23/99/88/879239988.db2.gz BGAVUIVRPFPKCI-UHFFFAOYSA-N 1 2 387.409 3.947 20 30 GHEDLO C#CCn1ccc(C[N@H+](CC)Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)n1 ZINC000789761391 879240006 /nfs/dbraw/zinc/24/00/06/879240006.db2.gz BGAVUIVRPFPKCI-UHFFFAOYSA-N 1 2 387.409 3.947 20 30 GHEDLO C=CCOc1ccccc1C[NH2+]Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000531171775 879256441 /nfs/dbraw/zinc/25/64/41/879256441.db2.gz FSTFRWHMQHHCDH-UHFFFAOYSA-N 1 2 393.512 3.928 20 30 GHEDLO Cc1[nH+]cn(-c2ccc(NS(=O)(=O)c3ccc(C#N)cc3Cl)cc2)c1C ZINC000461211820 879360948 /nfs/dbraw/zinc/36/09/48/879360948.db2.gz NZNCBGMHACJIMA-UHFFFAOYSA-N 1 2 386.864 3.815 20 30 GHEDLO CC1(C)C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@@H]1c1cccnc1 ZINC000854041750 879470424 /nfs/dbraw/zinc/47/04/24/879470424.db2.gz QBJJWQQUCYHIKB-DYESRHJHSA-N 1 2 383.455 3.702 20 30 GHEDLO CC1(C)C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@@H]1c1cccnc1 ZINC000854041750 879470427 /nfs/dbraw/zinc/47/04/27/879470427.db2.gz QBJJWQQUCYHIKB-DYESRHJHSA-N 1 2 383.455 3.702 20 30 GHEDLO CO[C@]1(C(F)(F)F)CCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000617225279 879545132 /nfs/dbraw/zinc/54/51/32/879545132.db2.gz WVEDPMKKCZVWSX-CQSZACIVSA-N 1 2 377.204 3.864 20 30 GHEDLO CO[C@]1(C(F)(F)F)CCC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000617225279 879545139 /nfs/dbraw/zinc/54/51/39/879545139.db2.gz WVEDPMKKCZVWSX-CQSZACIVSA-N 1 2 377.204 3.864 20 30 GHEDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)[C@@H](C)CO1 ZINC000854302744 879707317 /nfs/dbraw/zinc/70/73/17/879707317.db2.gz FYFZNPRVAYRLOY-SVMVAKDDSA-N 1 2 392.503 3.573 20 30 GHEDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)[C@@H](C)CO1 ZINC000854302744 879707329 /nfs/dbraw/zinc/70/73/29/879707329.db2.gz FYFZNPRVAYRLOY-SVMVAKDDSA-N 1 2 392.503 3.573 20 30 GHEDLO C[C@H]1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000531580893 880152815 /nfs/dbraw/zinc/15/28/15/880152815.db2.gz XOBLEGGQNAJETR-OXJNMPFZSA-N 1 2 387.443 3.665 20 30 GHEDLO CCCCN1CC[C@]2(CCC[N@@H+]2Cc2cc(C#N)ccc2Br)C1=O ZINC001275190960 912568695 /nfs/dbraw/zinc/56/86/95/912568695.db2.gz DSNNZWQTERFWKY-LJQANCHMSA-N 1 2 390.325 3.688 20 30 GHEDLO CCCCN1CC[C@]2(CCC[N@H+]2Cc2cc(C#N)ccc2Br)C1=O ZINC001275190960 912568705 /nfs/dbraw/zinc/56/87/05/912568705.db2.gz DSNNZWQTERFWKY-LJQANCHMSA-N 1 2 390.325 3.688 20 30 GHEDLO C=CC[C@]1(C(=O)OCc2cc[nH+]c(N(C)C)c2)CCCN1C(=O)OC(C)(C)C ZINC000791714714 880644236 /nfs/dbraw/zinc/64/42/36/880644236.db2.gz AVXZAALWDFKMSW-OAQYLSRUSA-N 1 2 389.496 3.537 20 30 GHEDLO CCCCOc1ccc([C@@H](C)[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cc1OC ZINC000609676609 883532242 /nfs/dbraw/zinc/53/22/42/883532242.db2.gz UDGNMGBITJDMLC-VFNWGFHPSA-N 1 2 381.476 3.623 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)c(C#N)c1C ZINC000533928351 883782500 /nfs/dbraw/zinc/78/25/00/883782500.db2.gz TVRVAUJNICZVHM-SUMWQHHRSA-N 1 2 387.867 3.902 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)c(C#N)c1C ZINC000533928351 883782514 /nfs/dbraw/zinc/78/25/14/883782514.db2.gz TVRVAUJNICZVHM-SUMWQHHRSA-N 1 2 387.867 3.902 20 30 GHEDLO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000805241444 884210673 /nfs/dbraw/zinc/21/06/73/884210673.db2.gz NRDNSMODLWIQOD-STZQEDGTSA-N 1 2 397.469 3.644 20 30 GHEDLO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000805241444 884210685 /nfs/dbraw/zinc/21/06/85/884210685.db2.gz NRDNSMODLWIQOD-STZQEDGTSA-N 1 2 397.469 3.644 20 30 GHEDLO CCCOc1c(Br)cc(C[NH2+]Cc2nc(C#N)cs2)cc1OC ZINC000897632575 884219072 /nfs/dbraw/zinc/21/90/72/884219072.db2.gz NQTAMJSQUKDYQH-UHFFFAOYSA-N 1 2 396.310 3.864 20 30 GHEDLO N#Cc1c(F)cccc1N1CC[NH+](C[C@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000918737915 884257138 /nfs/dbraw/zinc/25/71/38/884257138.db2.gz SXMOHNCLDQAOOI-IBGZPJMESA-N 1 2 393.384 3.572 20 30 GHEDLO C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N)c1cccc(N(C)C)c1 ZINC001183842202 912845997 /nfs/dbraw/zinc/84/59/97/912845997.db2.gz UDLPRACSWQJFPH-MBSDFSHPSA-N 1 2 390.531 3.856 20 30 GHEDLO C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N)c1cccc(N(C)C)c1 ZINC001183842202 912846010 /nfs/dbraw/zinc/84/60/10/912846010.db2.gz UDLPRACSWQJFPH-MBSDFSHPSA-N 1 2 390.531 3.856 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)NCCc1cc(F)cc(F)c1 ZINC001183841953 912846426 /nfs/dbraw/zinc/84/64/26/912846426.db2.gz QADRHVJTRIHSRX-NRFANRHFSA-N 1 2 383.442 3.550 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)NCCc1cc(F)cc(F)c1 ZINC001183841953 912846433 /nfs/dbraw/zinc/84/64/33/912846433.db2.gz QADRHVJTRIHSRX-NRFANRHFSA-N 1 2 383.442 3.550 20 30 GHEDLO N#CC(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1)c1ccncn1 ZINC000860655907 884887707 /nfs/dbraw/zinc/88/77/07/884887707.db2.gz CEMMCIHBQNXFQZ-IPMKNSEASA-N 1 2 388.496 3.630 20 30 GHEDLO N#CC(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1)c1ccncn1 ZINC000860655907 884887726 /nfs/dbraw/zinc/88/77/26/884887726.db2.gz CEMMCIHBQNXFQZ-IPMKNSEASA-N 1 2 388.496 3.630 20 30 GHEDLO N#C[C@H](C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1)c1ccncn1 ZINC000860655907 884887735 /nfs/dbraw/zinc/88/77/35/884887735.db2.gz CEMMCIHBQNXFQZ-IPMKNSEASA-N 1 2 388.496 3.630 20 30 GHEDLO N#C[C@H](C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1)c1ccncn1 ZINC000860655907 884887751 /nfs/dbraw/zinc/88/77/51/884887751.db2.gz CEMMCIHBQNXFQZ-IPMKNSEASA-N 1 2 388.496 3.630 20 30 GHEDLO C=CCn1c2nn(C[N@H+]3CC4(CCC4)C[C@@H]3C)c(=S)n2c2ccccc2c1=O ZINC000762147400 885497723 /nfs/dbraw/zinc/49/77/23/885497723.db2.gz ZYZXIWUDJGTCMY-HNNXBMFYSA-N 1 2 395.532 3.588 20 30 GHEDLO C=CCn1c2nn(C[N@@H+]3CC4(CCC4)C[C@@H]3C)c(=S)n2c2ccccc2c1=O ZINC000762147400 885497729 /nfs/dbraw/zinc/49/77/29/885497729.db2.gz ZYZXIWUDJGTCMY-HNNXBMFYSA-N 1 2 395.532 3.588 20 30 GHEDLO Cc1ncc(CO)c(/C=N\C[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1O ZINC000915112808 885795380 /nfs/dbraw/zinc/79/53/80/885795380.db2.gz GXYZSGJSZUZVQP-ZASXCATISA-N 1 2 391.874 3.636 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)C3(c4cccc(C#N)c4)CC3)n2)C1 ZINC000532525878 885891468 /nfs/dbraw/zinc/89/14/68/885891468.db2.gz XNXRVOLAHXBQOX-OAHLLOKOSA-N 1 2 380.517 3.917 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)C3(c4cccc(C#N)c4)CC3)n2)C1 ZINC000532525878 885891485 /nfs/dbraw/zinc/89/14/85/885891485.db2.gz XNXRVOLAHXBQOX-OAHLLOKOSA-N 1 2 380.517 3.917 20 30 GHEDLO Cc1ccc2ncc(C#N)c(N3CCN(c4cc(C)[nH+]c(C(C)C)n4)CC3)c2c1 ZINC000487921402 885922939 /nfs/dbraw/zinc/92/29/39/885922939.db2.gz VXXQOHQZSIRGOC-UHFFFAOYSA-N 1 2 386.503 3.963 20 30 GHEDLO COc1nc(C)cc(C)c1CO[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000808254636 886155793 /nfs/dbraw/zinc/15/57/93/886155793.db2.gz CHAZHSQVKGADSP-UHFFFAOYSA-N 1 2 392.459 3.518 20 30 GHEDLO CC[C@H]([NH2+][C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1nc(C(F)(F)F)cs1 ZINC000542563950 886329005 /nfs/dbraw/zinc/32/90/05/886329005.db2.gz QLXZBMYXOCHRIA-ZIBATOQPSA-N 1 2 376.448 3.646 20 30 GHEDLO COc1ccc(C(N)=[NH+]OCC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)cc1 ZINC000762691494 886713338 /nfs/dbraw/zinc/71/33/38/886713338.db2.gz MMUQQHGEPDUGMS-NRFANRHFSA-N 1 2 399.466 3.519 20 30 GHEDLO N#Cc1cccc(OC2CC[NH+](CN3C[C@H](c4ccccc4)OC3=O)CC2)c1 ZINC000863258551 886971651 /nfs/dbraw/zinc/97/16/51/886971651.db2.gz FEWGGAWQYLJDON-OAQYLSRUSA-N 1 2 377.444 3.552 20 30 GHEDLO Cn1c(CC#N)nn(C[N@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)c1=S ZINC000794616409 887682548 /nfs/dbraw/zinc/68/25/48/887682548.db2.gz HQGSKEWNTXEZLZ-LJQANCHMSA-N 1 2 375.501 3.622 20 30 GHEDLO Cn1c(CC#N)nn(C[N@@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)c1=S ZINC000794616409 887682557 /nfs/dbraw/zinc/68/25/57/887682557.db2.gz HQGSKEWNTXEZLZ-LJQANCHMSA-N 1 2 375.501 3.622 20 30 GHEDLO CC(C)[N@@H+](Cc1cccc(Br)c1)Cn1nc(CC#N)n(C)c1=S ZINC000794624514 887693013 /nfs/dbraw/zinc/69/30/13/887693013.db2.gz XZOZOFVYBSEMIT-UHFFFAOYSA-N 1 2 394.342 3.648 20 30 GHEDLO CC(C)[N@H+](Cc1cccc(Br)c1)Cn1nc(CC#N)n(C)c1=S ZINC000794624514 887693022 /nfs/dbraw/zinc/69/30/22/887693022.db2.gz XZOZOFVYBSEMIT-UHFFFAOYSA-N 1 2 394.342 3.648 20 30 GHEDLO NC(=[NH+]OCc1ccn(-c2ccccc2)n1)c1ccc(OCc2cccnc2)cc1 ZINC000729674045 888382887 /nfs/dbraw/zinc/38/28/87/888382887.db2.gz HHZNHBMAKSJMDA-UHFFFAOYSA-N 1 2 399.454 3.683 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCc3ccc(C#N)cc3F)n2)C1 ZINC000609240125 888443162 /nfs/dbraw/zinc/44/31/62/888443162.db2.gz YACCPMKJCRPIKB-CYBMUJFWSA-N 1 2 387.484 3.707 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCc3ccc(C#N)cc3F)n2)C1 ZINC000609240125 888443170 /nfs/dbraw/zinc/44/31/70/888443170.db2.gz YACCPMKJCRPIKB-CYBMUJFWSA-N 1 2 387.484 3.707 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)Cc2cccc(O)c2)c1C#N ZINC000532988290 889472480 /nfs/dbraw/zinc/47/24/80/889472480.db2.gz YKBZXLYEEYHIPB-UHFFFAOYSA-N 1 2 380.492 3.868 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)Cc2cccc(O)c2)c1C#N ZINC000532988290 889472484 /nfs/dbraw/zinc/47/24/84/889472484.db2.gz YKBZXLYEEYHIPB-UHFFFAOYSA-N 1 2 380.492 3.868 20 30 GHEDLO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CC[NH+](CCCC#N)CC1 ZINC000125011521 889846644 /nfs/dbraw/zinc/84/66/44/889846644.db2.gz QNUBCWHXCODRMV-CQSZACIVSA-N 1 2 393.413 3.738 20 30 GHEDLO CC1CCC(OC2CC[NH+]([C@@H]3CCN(c4sccc4C#N)C3=O)CC2)CC1 ZINC000533283261 890185420 /nfs/dbraw/zinc/18/54/20/890185420.db2.gz WCJYQGQJHHNZTC-GXOAENINSA-N 1 2 387.549 3.785 20 30 GHEDLO CC(C)OC1CC[NH+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000533475687 890646161 /nfs/dbraw/zinc/64/61/61/890646161.db2.gz HMNARMJLWFSUCO-MRXNPFEDSA-N 1 2 375.538 3.766 20 30 GHEDLO C[C@@]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)(C(N)=O)c1cccc(Cl)c1 ZINC000127257076 890974494 /nfs/dbraw/zinc/97/44/94/890974494.db2.gz RMGWOGIBPSNDNX-SFHVURJKSA-N 1 2 396.796 3.580 20 30 GHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1=S ZINC000747831340 891203084 /nfs/dbraw/zinc/20/30/84/891203084.db2.gz MAAZGNUCSRASBQ-VQTJNVASSA-N 1 2 398.576 3.897 20 30 GHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1=S ZINC000747831340 891203093 /nfs/dbraw/zinc/20/30/93/891203093.db2.gz MAAZGNUCSRASBQ-VQTJNVASSA-N 1 2 398.576 3.897 20 30 GHEDLO C=CC[C@H](NC(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1)c1ccncc1 ZINC000875300152 892535275 /nfs/dbraw/zinc/53/52/75/892535275.db2.gz VQKXYOJXXIGOLU-NRFANRHFSA-N 1 2 389.503 3.708 20 30 GHEDLO C=CC[N@@H+](CC(=O)N(C)[C@@H](C)c1ccccc1OC)Cc1cccc(C#N)c1 ZINC000068826759 892809213 /nfs/dbraw/zinc/80/92/13/892809213.db2.gz PGJHMHAVCQHWJB-SFHVURJKSA-N 1 2 377.488 3.774 20 30 GHEDLO C=CC[N@H+](CC(=O)N(C)[C@@H](C)c1ccccc1OC)Cc1cccc(C#N)c1 ZINC000068826759 892809231 /nfs/dbraw/zinc/80/92/31/892809231.db2.gz PGJHMHAVCQHWJB-SFHVURJKSA-N 1 2 377.488 3.774 20 30 GHEDLO CN(C)c1nc(-c2ccccc2)c(C=[NH+]Nc2cccc(-c3nn[nH]n3)c2)s1 ZINC000825883921 893214892 /nfs/dbraw/zinc/21/48/92/893214892.db2.gz PWAROXDHQXJVKZ-UHFFFAOYSA-N 1 2 390.476 3.502 20 30 GHEDLO FC(F)(F)[C@@H]1C=C([NH2+]Nc2nc(-c3ccccn3)nc3c2CCC3)CCO1 ZINC000814858364 893239733 /nfs/dbraw/zinc/23/97/33/893239733.db2.gz VPKINDYXFJSFSO-HNNXBMFYSA-N 1 2 377.370 3.537 20 30 GHEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccc(C#N)cc2C2CC2)CC1 ZINC000933838976 893250031 /nfs/dbraw/zinc/25/00/31/893250031.db2.gz UEIRQKZQMWRXPB-MRXNPFEDSA-N 1 2 375.476 3.741 20 30 GHEDLO CC(C)(C)Oc1ccc(NC(=O)NCCc2cn3c([nH+]2)CCCC3)cc1C#N ZINC000455801271 893357221 /nfs/dbraw/zinc/35/72/21/893357221.db2.gz SLKVXOVWYQUSOG-UHFFFAOYSA-N 1 2 381.480 3.633 20 30 GHEDLO C#CCOc1ccccc1C[NH2+]Cc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000877046344 893456176 /nfs/dbraw/zinc/45/61/76/893456176.db2.gz LYTJZNPMMCCPCR-UHFFFAOYSA-N 1 2 399.491 3.736 20 30 GHEDLO CCOC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000459695428 894086783 /nfs/dbraw/zinc/08/67/83/894086783.db2.gz ATQDJOXRSLGBCL-DLBZAZTESA-N 1 2 375.538 3.768 20 30 GHEDLO CCOC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000459695428 894086804 /nfs/dbraw/zinc/08/68/04/894086804.db2.gz ATQDJOXRSLGBCL-DLBZAZTESA-N 1 2 375.538 3.768 20 30 GHEDLO CC(=O)[C@@](C#N)(CCN1CC[NH+]([C@H](C)c2ccsc2)CC1)c1ccccc1 ZINC000878436714 894289277 /nfs/dbraw/zinc/28/92/77/894289277.db2.gz MOWGIACPIYQKGY-GCJKJVERSA-N 1 2 381.545 3.867 20 30 GHEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000054537701 895136029 /nfs/dbraw/zinc/13/60/29/895136029.db2.gz IJZHMRXXWYHQBJ-UHFFFAOYSA-N 1 2 384.505 3.757 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(C(C)(C)O)CC1 ZINC000879627822 895183504 /nfs/dbraw/zinc/18/35/04/895183504.db2.gz SRKOLOYQJZZLFY-HNNXBMFYSA-N 1 2 375.538 3.502 20 30 GHEDLO Cc1cc(C(=O)C[N@@H+]2CCc3c(CC#N)cccc3C2)c(C)n1-c1nccs1 ZINC000626130523 895595220 /nfs/dbraw/zinc/59/52/20/895595220.db2.gz VXJIUJDFSQGXLS-UHFFFAOYSA-N 1 2 390.512 3.858 20 30 GHEDLO Cc1cc(C(=O)C[N@H+]2CCc3c(CC#N)cccc3C2)c(C)n1-c1nccs1 ZINC000626130523 895595226 /nfs/dbraw/zinc/59/52/26/895595226.db2.gz VXJIUJDFSQGXLS-UHFFFAOYSA-N 1 2 390.512 3.858 20 30 GHEDLO N#CCn1c(C[N@@H+]2CCCSC[C@@H]2c2ccccc2)nc2ccccc2c1=O ZINC000880389688 895682226 /nfs/dbraw/zinc/68/22/26/895682226.db2.gz XRHXGEGBZZOALK-HXUWFJFHSA-N 1 2 390.512 3.600 20 30 GHEDLO N#CCn1c(C[N@H+]2CCCSC[C@@H]2c2ccccc2)nc2ccccc2c1=O ZINC000880389688 895682232 /nfs/dbraw/zinc/68/22/32/895682232.db2.gz XRHXGEGBZZOALK-HXUWFJFHSA-N 1 2 390.512 3.600 20 30 GHEDLO C=C(Cl)CSc1nc(C)c(Cc2nc(Cc3c[nH+]cn3C)no2)s1 ZINC000818410708 896159033 /nfs/dbraw/zinc/15/90/33/896159033.db2.gz JHKCZSLQKXYCKA-UHFFFAOYSA-N 1 2 381.914 3.594 20 30 GHEDLO CN(CC[N@H+](C)Cc1ccc(Br)cc1C#N)C(=O)OC(C)(C)C ZINC000805747032 897311539 /nfs/dbraw/zinc/31/15/39/897311539.db2.gz QAPUEPMQJQHJOX-UHFFFAOYSA-N 1 2 382.302 3.619 20 30 GHEDLO CN(CC[N@@H+](C)Cc1ccc(Br)cc1C#N)C(=O)OC(C)(C)C ZINC000805747032 897311558 /nfs/dbraw/zinc/31/15/58/897311558.db2.gz QAPUEPMQJQHJOX-UHFFFAOYSA-N 1 2 382.302 3.619 20 30 GHEDLO COc1c[nH+]c(N2CCC(CCC#N)CC2)nc1N1CCC(CCC#N)CC1 ZINC000567767212 897386451 /nfs/dbraw/zinc/38/64/51/897386451.db2.gz FSTFFCUPQHEEFE-UHFFFAOYSA-N 1 2 382.512 3.526 20 30 GHEDLO CC(C)(C)OC(=O)NCc1nc2c(s1)CC[N@@H+]([C@H]1CCC[C@H](C#N)C1)C2 ZINC000883280832 897440421 /nfs/dbraw/zinc/44/04/21/897440421.db2.gz OVPAIXNADHKYFR-KBPBESRZSA-N 1 2 376.526 3.608 20 30 GHEDLO CC(C)(C)OC(=O)NCc1nc2c(s1)CC[N@H+]([C@H]1CCC[C@H](C#N)C1)C2 ZINC000883280832 897440430 /nfs/dbraw/zinc/44/04/30/897440430.db2.gz OVPAIXNADHKYFR-KBPBESRZSA-N 1 2 376.526 3.608 20 30 GHEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000805784090 898287554 /nfs/dbraw/zinc/28/75/54/898287554.db2.gz FJUPXVBGOZMHIO-VXKWHMMOSA-N 1 2 386.499 3.638 20 30 GHEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000043269193 898382851 /nfs/dbraw/zinc/38/28/51/898382851.db2.gz DZVBPIQFCNDWPW-UHFFFAOYSA-N 1 2 392.956 3.562 20 30 GHEDLO C#CCCOc1ccc(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000822576362 898488770 /nfs/dbraw/zinc/48/87/70/898488770.db2.gz ARHXYOBHORYCBP-OALUTQOASA-N 1 2 392.499 3.950 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H](C3CCCC3)C(F)(F)F)CC2)cc1 ZINC000331913293 899261780 /nfs/dbraw/zinc/26/17/80/899261780.db2.gz LZJOHEOIDOBEOC-GOSISDBHSA-N 1 2 394.441 3.507 20 30 GHEDLO Cc1nsc(N2CC[NH+](Cc3ccccc3OCC(F)(F)F)CC2)c1C#N ZINC000570762588 899569202 /nfs/dbraw/zinc/56/92/02/899569202.db2.gz CYVRUWVOJVUWCK-UHFFFAOYSA-N 1 2 396.438 3.587 20 30 GHEDLO C=CCOc1ccc(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)cc1 ZINC000571189431 899770325 /nfs/dbraw/zinc/77/03/25/899770325.db2.gz ZHMNMLIXXYMXSV-OAQYLSRUSA-N 1 2 382.529 3.658 20 30 GHEDLO N#Cc1ccncc1N1CC[NH+](Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000572699131 900253885 /nfs/dbraw/zinc/25/38/85/900253885.db2.gz ROLMATKZNXVEJB-UHFFFAOYSA-N 1 2 379.851 3.584 20 30 GHEDLO COc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)cc1C(F)(F)F ZINC001143645466 900276211 /nfs/dbraw/zinc/27/62/11/900276211.db2.gz RAUNPCGUYNBFBD-UHFFFAOYSA-N 1 2 375.394 3.908 20 30 GHEDLO C[N@@H+](Cc1csc(CCc2ccccc2)n1)C[C@H](O)c1cccc(C#N)c1 ZINC000844368267 900779196 /nfs/dbraw/zinc/77/91/96/900779196.db2.gz CXDZLHYVTYDVAZ-NRFANRHFSA-N 1 2 377.513 3.965 20 30 GHEDLO C[N@H+](Cc1csc(CCc2ccccc2)n1)C[C@H](O)c1cccc(C#N)c1 ZINC000844368267 900779202 /nfs/dbraw/zinc/77/92/02/900779202.db2.gz CXDZLHYVTYDVAZ-NRFANRHFSA-N 1 2 377.513 3.965 20 30 GHEDLO Cn1c2ccc(NS(=O)(=O)c3ccc(CCC#N)cc3)cc2[nH+]c1C1CC1 ZINC000886399162 900979301 /nfs/dbraw/zinc/97/93/01/900979301.db2.gz IOLYSSDZYTYTNC-UHFFFAOYSA-N 1 2 380.473 3.708 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000574847256 901034618 /nfs/dbraw/zinc/03/46/18/901034618.db2.gz SVUHJBLYYMQULE-NRFANRHFSA-N 1 2 381.863 3.620 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000574847256 901034638 /nfs/dbraw/zinc/03/46/38/901034638.db2.gz SVUHJBLYYMQULE-NRFANRHFSA-N 1 2 381.863 3.620 20 30 GHEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)c(C#N)c1C ZINC000575006332 901083898 /nfs/dbraw/zinc/08/38/98/901083898.db2.gz WDXIIOXUHOWFSO-MRXNPFEDSA-N 1 2 389.908 3.982 20 30 GHEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)c(C#N)c1C ZINC000575006332 901083911 /nfs/dbraw/zinc/08/39/11/901083911.db2.gz WDXIIOXUHOWFSO-MRXNPFEDSA-N 1 2 389.908 3.982 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886685053 901226926 /nfs/dbraw/zinc/22/69/26/901226926.db2.gz ZCTRRISORYQAGJ-SJORKVTESA-N 1 2 395.532 3.546 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886685053 901226936 /nfs/dbraw/zinc/22/69/36/901226936.db2.gz ZCTRRISORYQAGJ-SJORKVTESA-N 1 2 395.532 3.546 20 30 GHEDLO CC(C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(C#N)cn1 ZINC000575427527 901230228 /nfs/dbraw/zinc/23/02/28/901230228.db2.gz UDNXHAPUXHSHLG-UHFFFAOYSA-N 1 2 376.382 3.821 20 30 GHEDLO CC(C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(C#N)cn1 ZINC000575427527 901230243 /nfs/dbraw/zinc/23/02/43/901230243.db2.gz UDNXHAPUXHSHLG-UHFFFAOYSA-N 1 2 376.382 3.821 20 30 GHEDLO C[C@@H]1CCN(C(=O)c2occc2COc2cccc(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000123134015 901900240 /nfs/dbraw/zinc/90/02/40/901900240.db2.gz NYPXODZQGUWGFU-OXQOHEQNSA-N 1 2 390.443 3.650 20 30 GHEDLO N#C[C@H](NC(=O)c1cc(-n2cc[nH+]c2)ccc1O)c1cccc(C(F)(F)F)c1 ZINC001144437808 902182171 /nfs/dbraw/zinc/18/21/71/902182171.db2.gz IZENJBHVIADNEG-INIZCTEOSA-N 1 2 386.333 3.591 20 30 GHEDLO C[C@@H](CC(=O)OC[C@@H](C#N)Cc1cc(Br)ccc1F)n1cc[nH+]c1 ZINC000845593026 902274884 /nfs/dbraw/zinc/27/48/84/902274884.db2.gz UITYFWRZSKPQDA-QWHCGFSZSA-N 1 2 394.244 3.661 20 30 GHEDLO C=CCOc1ccc(-c2nn(C[N@H+](C)C[C@H]3CCCOC3)c(=S)o2)cc1 ZINC000159027910 902464325 /nfs/dbraw/zinc/46/43/25/902464325.db2.gz ODLAYCCVBUHMRS-OAHLLOKOSA-N 1 2 375.494 3.753 20 30 GHEDLO C=CCOc1ccc(-c2nn(C[N@@H+](C)C[C@H]3CCCOC3)c(=S)o2)cc1 ZINC000159027910 902464332 /nfs/dbraw/zinc/46/43/32/902464332.db2.gz ODLAYCCVBUHMRS-OAHLLOKOSA-N 1 2 375.494 3.753 20 30 GHEDLO N#Cc1cccc(CCNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)c1 ZINC000577808615 903224681 /nfs/dbraw/zinc/22/46/81/903224681.db2.gz YIUKSNCDJXYXGM-YADHBBJMSA-N 1 2 385.471 3.525 20 30 GHEDLO COCCOc1cccc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)c1 ZINC000579312664 904504487 /nfs/dbraw/zinc/50/44/87/904504487.db2.gz DYVHLSRPGQFVAV-UHFFFAOYSA-N 1 2 385.895 3.559 20 30 GHEDLO CCOC(=O)[C@H](CS)[NH2+]C1CCC(c2ccc(Br)cc2)CC1 ZINC001171644467 904933791 /nfs/dbraw/zinc/93/37/91/904933791.db2.gz APUPZIIBTGVSNC-BCLQGDPASA-N 1 2 386.355 3.926 20 30 GHEDLO C[C@H](c1nnc(SCCCSCC#N)n1-c1ccc(F)cc1)[NH+](C)C ZINC000174001252 905182826 /nfs/dbraw/zinc/18/28/26/905182826.db2.gz ZXWIFORPFNMWTG-CYBMUJFWSA-N 1 2 379.530 3.768 20 30 GHEDLO CCc1nc([C@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccccc2OC)cs1 ZINC000174079160 905197934 /nfs/dbraw/zinc/19/79/34/905197934.db2.gz DXYKQZLMDKHTOA-LSDHHAIUSA-N 1 2 386.521 3.700 20 30 GHEDLO CCn1cncc1/C=C1/CN(c2ccccc2)C/C(=C/c2c[nH+]cn2CC)C1=O ZINC000901466028 921135785 /nfs/dbraw/zinc/13/57/85/921135785.db2.gz IKRZMZPBCXYJRN-BJPQZVBLSA-N 1 2 387.487 3.676 20 30 GHEDLO Cc1ccc([C@]2(C)C[N@@H+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)CCO2)cc1 ZINC001172992332 906103668 /nfs/dbraw/zinc/10/36/68/906103668.db2.gz WBXBWQOAMLHAMS-JTAQYXEDSA-N 1 2 399.535 3.834 20 30 GHEDLO Cc1ccc([C@]2(C)C[N@H+]([C@H]3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)CCO2)cc1 ZINC001172992332 906103677 /nfs/dbraw/zinc/10/36/77/906103677.db2.gz WBXBWQOAMLHAMS-JTAQYXEDSA-N 1 2 399.535 3.834 20 30 GHEDLO CC[NH+]1CCN(c2ccc(C(=O)[C@@H](C#N)c3nc4cccc(C)c4[nH]3)cc2)CC1 ZINC000777328463 906198610 /nfs/dbraw/zinc/19/86/10/906198610.db2.gz SHJOJILNWHYLDB-LJQANCHMSA-N 1 2 387.487 3.503 20 30 GHEDLO CC(C)(C)OC(=O)CC[C@H]([NH2+]C1CCC(C)(C#N)CC1)C(=O)OC(C)(C)C ZINC001173586678 906544902 /nfs/dbraw/zinc/54/49/02/906544902.db2.gz DYSNHHHSGUUYMK-TZQQIIETSA-N 1 2 380.529 3.881 20 30 GHEDLO N#Cc1ccc(Oc2ccc(Nc3cnn(CC[NH+]4CCOCC4)c3)cc2)cc1 ZINC001174492707 907050371 /nfs/dbraw/zinc/05/03/71/907050371.db2.gz ATMQUFWAAMJXLL-UHFFFAOYSA-N 1 2 389.459 3.623 20 30 GHEDLO C[C@@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1ncc(-c2ccccc2)o1 ZINC000299426484 921309051 /nfs/dbraw/zinc/30/90/51/921309051.db2.gz UXCPWHNUPVIDOE-CJNGLKHVSA-N 1 2 378.457 3.731 20 30 GHEDLO CC(=O)Nc1ccc2c(c1)C[N@H+]([C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)CC2 ZINC001175991513 907855930 /nfs/dbraw/zinc/85/59/30/907855930.db2.gz FNORACYGCRSUDD-CYBMUJFWSA-N 1 2 396.878 3.555 20 30 GHEDLO CC(=O)Nc1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)CC2 ZINC001175991513 907855942 /nfs/dbraw/zinc/85/59/42/907855942.db2.gz FNORACYGCRSUDD-CYBMUJFWSA-N 1 2 396.878 3.555 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(Nc3ccc(F)c(C#N)c3)c[nH+]2)C1 ZINC001176614751 908187025 /nfs/dbraw/zinc/18/70/25/908187025.db2.gz WQFNKKVXCMHHDO-QGZVFWFLSA-N 1 2 397.454 3.939 20 30 GHEDLO CC[C@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1nc(C(F)(F)F)cs1 ZINC000266734364 909280826 /nfs/dbraw/zinc/28/08/26/909280826.db2.gz WPPNYSVKJPVKRZ-UONOGXRCSA-N 1 2 394.422 3.880 20 30 GHEDLO N#Cc1ccccc1COc1cccc(C(=O)NCc2[nH]c3c([nH+]2)CCCC3)c1 ZINC001178921826 909318117 /nfs/dbraw/zinc/31/81/17/909318117.db2.gz BLNXOYUNSMWQLS-UHFFFAOYSA-N 1 2 386.455 3.669 20 30 GHEDLO C=C(C)COCC[NH2+]Cc1csc(N(C(C)=O)c2ccc(OC)cc2)n1 ZINC000638757392 910225382 /nfs/dbraw/zinc/22/53/82/910225382.db2.gz PZQPDGQZILHNNW-UHFFFAOYSA-N 1 2 375.494 3.519 20 30 GHEDLO C[NH+]1CCN(c2ccc(NC3CCC(C#N)CC3)cc2Br)CC1 ZINC001180935298 910437656 /nfs/dbraw/zinc/43/76/56/910437656.db2.gz MMBFXUGIHWADLN-UHFFFAOYSA-N 1 2 377.330 3.695 20 30 GHEDLO CCOc1cc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)ccc1O ZINC001181371500 910734062 /nfs/dbraw/zinc/73/40/62/910734062.db2.gz CPRBOJJWXHBSFY-IBGZPJMESA-N 1 2 385.895 3.827 20 30 GHEDLO N#CCCCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(Br)cs1 ZINC001275610448 915292047 /nfs/dbraw/zinc/29/20/47/915292047.db2.gz GBDHWBXTWAGRCY-KRWDZBQOSA-N 1 2 396.354 3.771 20 30 GHEDLO N#CCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Br)cs1 ZINC001275610448 915292055 /nfs/dbraw/zinc/29/20/55/915292055.db2.gz GBDHWBXTWAGRCY-KRWDZBQOSA-N 1 2 396.354 3.771 20 30 GHEDLO C=CC[NH+]1CCN(C(=O)c2cc(NC(=O)OC(C)(C)C)ccc2Cl)CC1 ZINC001187744358 915495835 /nfs/dbraw/zinc/49/58/35/915495835.db2.gz AMKFPKUVDYFSPE-UHFFFAOYSA-N 1 2 379.888 3.631 20 30 GHEDLO COc1ccccc1-c1nc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cs1 ZINC000292159322 915541195 /nfs/dbraw/zinc/54/11/95/915541195.db2.gz KUZSVEWWVUDPMS-KRWDZBQOSA-N 1 2 392.484 3.739 20 30 GHEDLO COc1ccccc1-c1nc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cs1 ZINC000292159322 915541208 /nfs/dbraw/zinc/54/12/08/915541208.db2.gz KUZSVEWWVUDPMS-KRWDZBQOSA-N 1 2 392.484 3.739 20 30 GHEDLO CCCCCCCCn1nc(C)c(S(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)c1C ZINC001188345156 915902161 /nfs/dbraw/zinc/90/21/61/915902161.db2.gz HPFWVPHUTZGJKB-IAGOWNOFSA-N 1 2 398.617 3.574 20 30 GHEDLO CCCCCCCCn1nc(C)c(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1C ZINC001188345156 915902170 /nfs/dbraw/zinc/90/21/70/915902170.db2.gz HPFWVPHUTZGJKB-IAGOWNOFSA-N 1 2 398.617 3.574 20 30 GHEDLO COc1ccc(NC(=O)Nc2sc3c(c2C#N)CC[N@@H+](C)C3)cc1Cl ZINC001188442243 915947876 /nfs/dbraw/zinc/94/78/76/915947876.db2.gz DUIMATOLSOOZPJ-UHFFFAOYSA-N 1 2 376.869 3.914 20 30 GHEDLO COc1ccc(NC(=O)Nc2sc3c(c2C#N)CC[N@H+](C)C3)cc1Cl ZINC001188442243 915947889 /nfs/dbraw/zinc/94/78/89/915947889.db2.gz DUIMATOLSOOZPJ-UHFFFAOYSA-N 1 2 376.869 3.914 20 30 GHEDLO C=C(C)Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C(=O)OC)cc3)CC2)cc1 ZINC001190218413 917204295 /nfs/dbraw/zinc/20/42/95/917204295.db2.gz XTUDEHDKWZZKON-UHFFFAOYSA-N 1 2 392.499 3.550 20 30 GHEDLO Cc1[nH+]ccn1Cc1ccc(NS(=O)(=O)c2cc(C#N)ccc2Cl)cc1 ZINC001190971807 917674383 /nfs/dbraw/zinc/67/43/83/917674383.db2.gz VFMPKOWGCIROCJ-UHFFFAOYSA-N 1 2 386.864 3.566 20 30 GHEDLO N#CCCCN1CCC2(CC[NH+](Cc3c(Cl)cncc3Cl)CC2)C1=O ZINC001275973635 920524040 /nfs/dbraw/zinc/52/40/40/920524040.db2.gz RICKRFMFLRTVAX-UHFFFAOYSA-N 1 2 381.307 3.507 20 30 GHEDLO C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367056951 921898145 /nfs/dbraw/zinc/89/81/45/921898145.db2.gz DJOFOUKDHFGMOG-ZWKOTPCHSA-N 1 2 394.544 3.752 20 30 GHEDLO COc1ccc(C[NH2+]Cc2nc(N(C)C)n(-c3ccccc3)c2Cl)cc1C#N ZINC000802647457 922297296 /nfs/dbraw/zinc/29/72/96/922297296.db2.gz MGQVMVCMLHQLJW-UHFFFAOYSA-N 1 2 395.894 3.762 20 30 GHEDLO Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000368445144 922678072 /nfs/dbraw/zinc/67/80/72/922678072.db2.gz HNXOWHFASHBKMD-LJQANCHMSA-N 1 2 388.446 3.998 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@@]2(C1)C[C@H]([NH2+]CC1(C#N)CC1)c1ccccc1O2 ZINC000903106074 922777027 /nfs/dbraw/zinc/77/70/27/922777027.db2.gz MINTVXOBCXYVBY-JTSKRJEESA-N 1 2 383.492 3.783 20 30 GHEDLO N#Cc1csc(C[NH2+][C@@H](c2ccc(Br)cc2)[C@@H]2CCCO2)n1 ZINC000903263527 922890401 /nfs/dbraw/zinc/89/04/01/922890401.db2.gz NPDUZYOYGBGUKG-HOCLYGCPSA-N 1 2 378.295 3.787 20 30 GHEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000369825013 923648207 /nfs/dbraw/zinc/64/82/07/923648207.db2.gz FPKJKWMZSFHALP-QGZVFWFLSA-N 1 2 395.484 3.807 20 30 GHEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000369825013 923648215 /nfs/dbraw/zinc/64/82/15/923648215.db2.gz FPKJKWMZSFHALP-QGZVFWFLSA-N 1 2 395.484 3.807 20 30 GHEDLO COC(=O)c1ccc(CO[NH+]=C(N)c2ccc(COc3ccccc3F)cc2)o1 ZINC000748797400 923833554 /nfs/dbraw/zinc/83/35/54/923833554.db2.gz VPACSWWXKQDZBF-UHFFFAOYSA-N 1 2 398.390 3.621 20 30 GHEDLO C#C[C@H]([NH2+]Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1)C1CCOCC1 ZINC000827570327 925822789 /nfs/dbraw/zinc/82/27/89/925822789.db2.gz LVSMYYQXHVQXFR-FQEVSTJZSA-N 1 2 383.517 3.654 20 30 GHEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3c(F)cccc3Br)C2)CC1 ZINC001137462874 925919495 /nfs/dbraw/zinc/91/94/95/925919495.db2.gz GJVDCGCQSBKXDH-UHFFFAOYSA-N 1 2 397.288 3.809 20 30 GHEDLO CC[N@H+](Cc1ccc(OC)cc1OC)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000411199768 926206178 /nfs/dbraw/zinc/20/61/78/926206178.db2.gz LPXRQFQSCOOJBQ-AWEZNQCLSA-N 1 2 385.464 3.634 20 30 GHEDLO CC[N@@H+](Cc1ccc(OC)cc1OC)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000411199768 926206184 /nfs/dbraw/zinc/20/61/84/926206184.db2.gz LPXRQFQSCOOJBQ-AWEZNQCLSA-N 1 2 385.464 3.634 20 30 GHEDLO C#Cc1cccc(NC(=S)N2CC[NH+](Cc3ccc(OCC)cc3)CC2)c1 ZINC000726450869 926672114 /nfs/dbraw/zinc/67/21/14/926672114.db2.gz SJXXCMIAWITIIN-UHFFFAOYSA-N 1 2 379.529 3.581 20 30 GHEDLO N#Cc1ccc(CSCC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000374455586 927163218 /nfs/dbraw/zinc/16/32/18/927163218.db2.gz BGEOOUOTPNKWDN-LJQANCHMSA-N 1 2 394.544 3.730 20 30 GHEDLO C=CCn1c(-c2cccc(C)c2)nn(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c1=S ZINC000749799252 927279591 /nfs/dbraw/zinc/27/95/91/927279591.db2.gz VPDZOWBOPANXQW-OALUTQOASA-N 1 2 384.549 3.891 20 30 GHEDLO C=CCn1c(-c2cccc(C)c2)nn(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)c1=S ZINC000749799252 927279605 /nfs/dbraw/zinc/27/96/05/927279605.db2.gz VPDZOWBOPANXQW-OALUTQOASA-N 1 2 384.549 3.891 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)Nc2cccc(C#N)c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543865570 928512363 /nfs/dbraw/zinc/51/23/63/928512363.db2.gz YSBFWLPMZIDIOV-PKOBYXMFSA-N 1 2 388.393 3.933 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)Nc2cccc(C#N)c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543865570 928512368 /nfs/dbraw/zinc/51/23/68/928512368.db2.gz YSBFWLPMZIDIOV-PKOBYXMFSA-N 1 2 388.393 3.933 20 30 GHEDLO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000752007864 928547713 /nfs/dbraw/zinc/54/77/13/928547713.db2.gz SZWGOLIOJCBJIN-YADHBBJMSA-N 1 2 385.471 3.854 20 30 GHEDLO CN(C)C(=O)Sc1ccc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000752279622 928727172 /nfs/dbraw/zinc/72/71/72/928727172.db2.gz CZWSXQOMVYPUDM-UHFFFAOYSA-N 1 2 394.544 3.650 20 30 GHEDLO N#Cc1ccc(CNC(=O)C[NH+]2CCC(=Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000469461821 929915059 /nfs/dbraw/zinc/91/50/59/929915059.db2.gz YQSZUBVTABCPCM-UHFFFAOYSA-N 1 2 381.426 3.632 20 30 GHEDLO COc1ccc(Br)c(C[N@H+](C)Cc2ccc(OCC#N)cc2)c1 ZINC000759645780 930437035 /nfs/dbraw/zinc/43/70/35/930437035.db2.gz YPYHRTUINJDACB-UHFFFAOYSA-N 1 2 375.266 3.992 20 30 GHEDLO COc1ccc(Br)c(C[N@@H+](C)Cc2ccc(OCC#N)cc2)c1 ZINC000759645780 930437042 /nfs/dbraw/zinc/43/70/42/930437042.db2.gz YPYHRTUINJDACB-UHFFFAOYSA-N 1 2 375.266 3.992 20 30 GHEDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000781983086 931051091 /nfs/dbraw/zinc/05/10/91/931051091.db2.gz FBALOMIIFDNRET-APWZRJJASA-N 1 2 397.441 3.674 20 30 GHEDLO CO[C@@]1(C(F)(F)F)CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000781983086 931051096 /nfs/dbraw/zinc/05/10/96/931051096.db2.gz FBALOMIIFDNRET-APWZRJJASA-N 1 2 397.441 3.674 20 30 GHEDLO N#Cc1cccc(OCCCCC(=O)N2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000927093050 932407993 /nfs/dbraw/zinc/40/79/93/932407993.db2.gz NMCOLVULSKVFMB-UHFFFAOYSA-N 1 2 378.476 3.605 20 30 GHEDLO Cc1cc(Br)ccc1C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000798275170 932589597 /nfs/dbraw/zinc/58/95/97/932589597.db2.gz OBGXJAFTDMTTTI-GOEBONIOSA-N 1 2 394.313 3.606 20 30 GHEDLO Cc1cc(Br)ccc1C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000798275169 932589629 /nfs/dbraw/zinc/58/96/29/932589629.db2.gz OBGXJAFTDMTTTI-GDBMZVCRSA-N 1 2 394.313 3.606 20 30 GHEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC000561225252 933971798 /nfs/dbraw/zinc/97/17/98/933971798.db2.gz LGICJZNRODRMGM-UHFFFAOYSA-N 1 2 390.911 3.852 20 30 GHEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC000561225252 933971808 /nfs/dbraw/zinc/97/18/08/933971808.db2.gz LGICJZNRODRMGM-UHFFFAOYSA-N 1 2 390.911 3.852 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC001121510556 934679281 /nfs/dbraw/zinc/67/92/81/934679281.db2.gz YJFDQSZFEDNNTO-BPQIPLTHSA-N 1 2 387.553 3.649 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC001121510556 934679291 /nfs/dbraw/zinc/67/92/91/934679291.db2.gz YJFDQSZFEDNNTO-BPQIPLTHSA-N 1 2 387.553 3.649 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC[C@H](OCC)C1 ZINC001121581253 934705113 /nfs/dbraw/zinc/70/51/13/934705113.db2.gz LAMCFQQWRKRPLS-ICSRJNTNSA-N 1 2 383.540 3.662 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC[C@H](OCC)C1 ZINC001121581253 934705118 /nfs/dbraw/zinc/70/51/18/934705118.db2.gz LAMCFQQWRKRPLS-ICSRJNTNSA-N 1 2 383.540 3.662 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](c2ccn(C)n2)C1 ZINC000932131873 934830759 /nfs/dbraw/zinc/83/07/59/934830759.db2.gz AAFVBOZRQDBYIP-DLBZAZTESA-N 1 2 397.548 3.632 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](c2ccn(C)n2)C1 ZINC000932131873 934830766 /nfs/dbraw/zinc/83/07/66/934830766.db2.gz AAFVBOZRQDBYIP-DLBZAZTESA-N 1 2 397.548 3.632 20 30 GHEDLO C=CCc1cc(OC)ccc1OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001124452362 935392442 /nfs/dbraw/zinc/39/24/42/935392442.db2.gz WCMOHFVEGBMGSN-UHFFFAOYSA-N 1 2 379.372 3.737 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@](O)(C(F)(F)F)C2)c(Br)c1 ZINC001137632505 935648517 /nfs/dbraw/zinc/64/85/17/935648517.db2.gz DVLXOZWXNSCBIH-AWEZNQCLSA-N 1 2 377.204 3.600 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@](O)(C(F)(F)F)C2)c(Br)c1 ZINC001137632505 935648520 /nfs/dbraw/zinc/64/85/20/935648520.db2.gz DVLXOZWXNSCBIH-AWEZNQCLSA-N 1 2 377.204 3.600 20 30 GHEDLO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000467980593 1015096189 /nfs/dbraw/zinc/09/61/89/1015096189.db2.gz ZLJJUGZJTQKTPZ-BETUJISGSA-N 1 2 387.534 3.513 20 30 GHEDLO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000467980593 1015096199 /nfs/dbraw/zinc/09/61/99/1015096199.db2.gz ZLJJUGZJTQKTPZ-BETUJISGSA-N 1 2 387.534 3.513 20 30 GHEDLO CC(C)CO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000468767252 1016013985 /nfs/dbraw/zinc/01/39/85/1016013985.db2.gz AXBNZEMDJORJDA-HOTGVXAUSA-N 1 2 389.565 3.963 20 30 GHEDLO CC(C)CO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000468767252 1016013994 /nfs/dbraw/zinc/01/39/94/1016013994.db2.gz AXBNZEMDJORJDA-HOTGVXAUSA-N 1 2 389.565 3.963 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(OCC)ncc1Cl ZINC001277212490 1032433817 /nfs/dbraw/zinc/43/38/17/1032433817.db2.gz JKAWRGQPXLBVSC-HXUWFJFHSA-N 1 2 377.916 3.667 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(OCC)ncc1Cl ZINC001277212490 1032433819 /nfs/dbraw/zinc/43/38/19/1032433819.db2.gz JKAWRGQPXLBVSC-HXUWFJFHSA-N 1 2 377.916 3.667 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)Cc3cc(C#N)cs3)n2)C1 ZINC000929331930 1017665886 /nfs/dbraw/zinc/66/58/86/1017665886.db2.gz MNEJGDSBMWTNSL-CYBMUJFWSA-N 1 2 389.550 3.972 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)Cc3cc(C#N)cs3)n2)C1 ZINC000929331930 1017665893 /nfs/dbraw/zinc/66/58/93/1017665893.db2.gz MNEJGDSBMWTNSL-CYBMUJFWSA-N 1 2 389.550 3.972 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000932358336 1018220878 /nfs/dbraw/zinc/22/08/78/1018220878.db2.gz WXJKGPNYCTYHDR-IFXJQAMLSA-N 1 2 381.505 3.550 20 30 GHEDLO C=C(C)Cn1c(-c2ccc(C)s2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000567410679 1019288257 /nfs/dbraw/zinc/28/82/57/1019288257.db2.gz BVGSIUGPHTXLKF-UHFFFAOYSA-N 1 2 380.521 3.613 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCCc3cccc(Cl)c3)CC2)cc1 ZINC000577775778 1020290084 /nfs/dbraw/zinc/29/00/84/1020290084.db2.gz SMQNUESDABQKCD-UHFFFAOYSA-N 1 2 396.922 3.672 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)cc1OC ZINC000628254632 1020683018 /nfs/dbraw/zinc/68/30/18/1020683018.db2.gz JEUQRECVMHTSTO-BXTJHSDWSA-N 1 2 381.900 3.682 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)cc1OC ZINC000628254632 1020683020 /nfs/dbraw/zinc/68/30/20/1020683020.db2.gz JEUQRECVMHTSTO-BXTJHSDWSA-N 1 2 381.900 3.682 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ncc(Br)cc1C ZINC001277299794 1032935559 /nfs/dbraw/zinc/93/55/59/1032935559.db2.gz BSWPGKQRFJYCQU-LJQANCHMSA-N 1 2 392.341 3.686 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ncc(Br)cc1C ZINC001277299794 1032935562 /nfs/dbraw/zinc/93/55/62/1032935562.db2.gz BSWPGKQRFJYCQU-LJQANCHMSA-N 1 2 392.341 3.686 20 30 GHEDLO N#Cc1cc(C(=O)N(CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)ccn1 ZINC000193215741 1020919474 /nfs/dbraw/zinc/91/94/74/1020919474.db2.gz CIWMGPBYPACJKO-UHFFFAOYSA-N 1 2 397.841 3.675 20 30 GHEDLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000635633614 1020987440 /nfs/dbraw/zinc/98/74/40/1020987440.db2.gz YMVBRHJTJRZRGB-HRDYMLBCSA-N 1 2 397.241 3.576 20 30 GHEDLO C=CCOc1ccc(C(=O)c2ccccc2)c(O[C@@H]2C[C@@H]3CC(=O)C[C@H]2[N@@H+]3C)c1 ZINC001228454274 1032942843 /nfs/dbraw/zinc/94/28/43/1032942843.db2.gz FFFGTOINEJLEOL-AMHTUMDSSA-N 1 2 391.467 3.665 20 30 GHEDLO C=CCOc1ccc(C(=O)c2ccccc2)c(O[C@@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)c1 ZINC001228454274 1032942845 /nfs/dbraw/zinc/94/28/45/1032942845.db2.gz FFFGTOINEJLEOL-AMHTUMDSSA-N 1 2 391.467 3.665 20 30 GHEDLO CC(C)(C)OC(=O)n1cc(CN2CCn3c[nH+]cc3C2)c2cc(C#N)ccc21 ZINC001140440046 1021713090 /nfs/dbraw/zinc/71/30/90/1021713090.db2.gz VSOVWGSMNDLANS-UHFFFAOYSA-N 1 2 377.448 3.508 20 30 GHEDLO N#Cc1cccc(N2C[C@]3(CC[N@@H+](Cc4c(F)cc(F)cc4F)C3)CC2=O)c1 ZINC001140531238 1021927883 /nfs/dbraw/zinc/92/78/83/1021927883.db2.gz DIOHWNZXWSVYHO-OAQYLSRUSA-N 1 2 385.389 3.605 20 30 GHEDLO N#Cc1cccc(N2C[C@]3(CC[N@H+](Cc4c(F)cc(F)cc4F)C3)CC2=O)c1 ZINC001140531238 1021927886 /nfs/dbraw/zinc/92/78/86/1021927886.db2.gz DIOHWNZXWSVYHO-OAQYLSRUSA-N 1 2 385.389 3.605 20 30 GHEDLO N#Cc1c(F)cc(C[NH+]2CCC(N3C(=O)OC[C@H]3c3ccccc3)CC2)cc1F ZINC001140751057 1022430955 /nfs/dbraw/zinc/43/09/55/1022430955.db2.gz HWTPHCRTSWBDKX-NRFANRHFSA-N 1 2 397.425 3.994 20 30 GHEDLO COc1cc(C#N)ccc1OC1CC[NH+](Cc2cc(F)c(C#N)c(F)c2)CC1 ZINC001140754680 1022440176 /nfs/dbraw/zinc/44/01/76/1022440176.db2.gz HUDZETYFZHZJGN-UHFFFAOYSA-N 1 2 383.398 3.760 20 30 GHEDLO COCCOc1ccc(N2CC[NH+](Cc3cccc(C#N)c3Cl)CC2)cc1 ZINC001140813061 1022608119 /nfs/dbraw/zinc/60/81/19/1022608119.db2.gz UYIXUUOMZZOPQU-UHFFFAOYSA-N 1 2 385.895 3.559 20 30 GHEDLO CCc1nc([C@@H](C)[NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)cs1 ZINC000754790532 1022897530 /nfs/dbraw/zinc/89/75/30/1022897530.db2.gz FKEIDFPQUZIOLW-OCCSQVGLSA-N 1 2 377.473 3.593 20 30 GHEDLO CC(C)c1[nH+]c(C=NNc2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)c2ccccn21 ZINC000755726821 1023353965 /nfs/dbraw/zinc/35/39/65/1023353965.db2.gz PNYHHHITGDTQJG-UHFFFAOYSA-N 1 2 392.467 3.504 20 30 GHEDLO C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1cc(Br)cc(F)c1O ZINC000756731945 1023791909 /nfs/dbraw/zinc/79/19/09/1023791909.db2.gz DPQQYWSKRPDCFX-LLVKDONJSA-N 1 2 379.229 3.895 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c1=S ZINC000756892869 1023848952 /nfs/dbraw/zinc/84/89/52/1023848952.db2.gz YRXLZDYPYWCWCU-SJLPKXTDSA-N 1 2 388.512 3.865 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+]2CCC[C@@H]3COCC[C@H]32)c1=S ZINC000756892869 1023848964 /nfs/dbraw/zinc/84/89/64/1023848964.db2.gz YRXLZDYPYWCWCU-SJLPKXTDSA-N 1 2 388.512 3.865 20 30 GHEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCCN(c2ncccc2C(F)(F)F)CC1 ZINC001141166508 1023996972 /nfs/dbraw/zinc/99/69/72/1023996972.db2.gz SOGXVALHDABCCH-UHFFFAOYSA-N 1 2 378.373 3.823 20 30 GHEDLO N#Cc1cc(F)ccc1C[N@H+]1CCCN(c2ncccc2C(F)(F)F)CC1 ZINC001141166508 1023996982 /nfs/dbraw/zinc/99/69/82/1023996982.db2.gz SOGXVALHDABCCH-UHFFFAOYSA-N 1 2 378.373 3.823 20 30 GHEDLO N#Cc1cc(F)ccc1CN1CC[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001141167882 1023999396 /nfs/dbraw/zinc/99/93/96/1023999396.db2.gz DDTRKUFUAMZXLI-IBGZPJMESA-N 1 2 377.385 3.946 20 30 GHEDLO N#Cc1cc(F)ccc1CN1CC[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001141167882 1023999399 /nfs/dbraw/zinc/99/93/99/1023999399.db2.gz DDTRKUFUAMZXLI-IBGZPJMESA-N 1 2 377.385 3.946 20 30 GHEDLO O=C(Cc1ccc(-n2cc[nH+]c2)cc1)Nc1cccc(C#Cc2ccccn2)c1 ZINC001141293733 1024425986 /nfs/dbraw/zinc/42/59/86/1024425986.db2.gz ZVBPLNGZLHKZIP-UHFFFAOYSA-N 1 2 378.435 3.848 20 30 GHEDLO C#CCOc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2CC)cc1OC ZINC001138345645 1024707221 /nfs/dbraw/zinc/70/72/21/1024707221.db2.gz LCYLPIRSWIQXEV-GOSISDBHSA-N 1 2 388.508 3.539 20 30 GHEDLO C#CCOc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2CC)cc1OC ZINC001138345645 1024707232 /nfs/dbraw/zinc/70/72/32/1024707232.db2.gz LCYLPIRSWIQXEV-GOSISDBHSA-N 1 2 388.508 3.539 20 30 GHEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1cnc(-c3ccccc3)s1)CC2 ZINC001138527302 1024967051 /nfs/dbraw/zinc/96/70/51/1024967051.db2.gz HZVXDLVRGBSDQB-UHFFFAOYSA-N 1 2 380.517 3.805 20 30 GHEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1cnc(-c3ccccc3)s1)CC2 ZINC001138527302 1024967057 /nfs/dbraw/zinc/96/70/57/1024967057.db2.gz HZVXDLVRGBSDQB-UHFFFAOYSA-N 1 2 380.517 3.805 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC([C@H](O)c2cc(F)ccc2F)CC1 ZINC000839155431 1025660170 /nfs/dbraw/zinc/66/01/70/1025660170.db2.gz JDXXVKGSTLCAEF-SZNDQCEHSA-N 1 2 399.441 3.609 20 30 GHEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1Cc1cccc(-c2ccc(F)cc2)c1 ZINC001139069051 1025868525 /nfs/dbraw/zinc/86/85/25/1025868525.db2.gz TVZITGMFFJDUDJ-QFIPXVFZSA-N 1 2 392.478 3.923 20 30 GHEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1Cc1cccc(-c2ccc(F)cc2)c1 ZINC001139069051 1025868543 /nfs/dbraw/zinc/86/85/43/1025868543.db2.gz TVZITGMFFJDUDJ-QFIPXVFZSA-N 1 2 392.478 3.923 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)C[C@@H]1F ZINC001139404852 1026277494 /nfs/dbraw/zinc/27/74/94/1026277494.db2.gz BKEHEZXUCBKWRP-AZUAARDMSA-N 1 2 396.466 3.667 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)C[C@@H]1F ZINC001139404852 1026277504 /nfs/dbraw/zinc/27/75/04/1026277504.db2.gz BKEHEZXUCBKWRP-AZUAARDMSA-N 1 2 396.466 3.667 20 30 GHEDLO COc1cc(C(F)(F)N2CC[N@H+](C)C[C@H]2c2ccccc2)c(C#N)c(Cl)n1 ZINC001163672684 1026277530 /nfs/dbraw/zinc/27/75/30/1026277530.db2.gz OGJNXWBSHDECGY-INIZCTEOSA-N 1 2 392.837 3.653 20 30 GHEDLO COc1cc(C(F)(F)N2CC[N@@H+](C)C[C@H]2c2ccccc2)c(C#N)c(Cl)n1 ZINC001163672684 1026277541 /nfs/dbraw/zinc/27/75/41/1026277541.db2.gz OGJNXWBSHDECGY-INIZCTEOSA-N 1 2 392.837 3.653 20 30 GHEDLO CC(C)(C)OC(=O)NC1(C)C[NH+](Cc2ccc(-c3cc(C#N)ccn3)cc2)C1 ZINC001139405420 1026277953 /nfs/dbraw/zinc/27/79/53/1026277953.db2.gz ONVKYCHLGJSIKZ-UHFFFAOYSA-N 1 2 378.476 3.719 20 30 GHEDLO N#Cc1ccc(CN2CC[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)cc1F ZINC001139530742 1026389411 /nfs/dbraw/zinc/38/94/11/1026389411.db2.gz GXMVCRGXOKBNHT-IBGZPJMESA-N 1 2 377.385 3.946 20 30 GHEDLO N#Cc1ccc(CN2CC[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)cc1F ZINC001139530742 1026389422 /nfs/dbraw/zinc/38/94/22/1026389422.db2.gz GXMVCRGXOKBNHT-IBGZPJMESA-N 1 2 377.385 3.946 20 30 GHEDLO N#Cc1cc(F)cc(C[N@@H+]2CCO[C@]3(CCC[C@H]3COCc3ccncc3)C2)c1 ZINC001139876820 1026692869 /nfs/dbraw/zinc/69/28/69/1026692869.db2.gz MZVRTXBBFZSLNX-JTHBVZDNSA-N 1 2 395.478 3.680 20 30 GHEDLO N#Cc1cc(F)cc(C[N@H+]2CCO[C@]3(CCC[C@H]3COCc3ccncc3)C2)c1 ZINC001139876820 1026692876 /nfs/dbraw/zinc/69/28/76/1026692876.db2.gz MZVRTXBBFZSLNX-JTHBVZDNSA-N 1 2 395.478 3.680 20 30 GHEDLO COc1cc2c(cc1Cl)C[N@H+](Cn1c(C)nnc1-c1cccc(C#N)c1)CC2 ZINC000840091918 1027174790 /nfs/dbraw/zinc/17/47/90/1027174790.db2.gz ITTLBLOKJADMCF-UHFFFAOYSA-N 1 2 393.878 3.803 20 30 GHEDLO COc1cc2c(cc1Cl)C[N@@H+](Cn1c(C)nnc1-c1cccc(C#N)c1)CC2 ZINC000840091918 1027174799 /nfs/dbraw/zinc/17/47/99/1027174799.db2.gz ITTLBLOKJADMCF-UHFFFAOYSA-N 1 2 393.878 3.803 20 30 GHEDLO CCOC(=O)[C@]1(C)CCCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC001141807601 1027336717 /nfs/dbraw/zinc/33/67/17/1027336717.db2.gz ROLCERZIJCGMPL-GOSISDBHSA-N 1 2 379.298 3.876 20 30 GHEDLO CCOC(=O)[C@]1(C)CCCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC001141807601 1027336728 /nfs/dbraw/zinc/33/67/28/1027336728.db2.gz ROLCERZIJCGMPL-GOSISDBHSA-N 1 2 379.298 3.876 20 30 GHEDLO COCC[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1cc(Br)ccc1C#N)C2 ZINC001141899167 1027618207 /nfs/dbraw/zinc/61/82/07/1027618207.db2.gz FUUTUISEQYSURR-BEFAXECRSA-N 1 2 393.325 3.728 20 30 GHEDLO COCC[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cc(Br)ccc1C#N)C2 ZINC001141899167 1027618219 /nfs/dbraw/zinc/61/82/19/1027618219.db2.gz FUUTUISEQYSURR-BEFAXECRSA-N 1 2 393.325 3.728 20 30 GHEDLO CC#Cc1cncc(Nc2ccc(C(=O)N3CCN(c4cccc[nH+]4)CC3)cc2)c1 ZINC001211058838 1027770998 /nfs/dbraw/zinc/77/09/98/1027770998.db2.gz LDYZAGYDIYJWOW-UHFFFAOYSA-N 1 2 397.482 3.554 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc4c(C#N)c[nH]c4c3)n2)C1 ZINC001142036192 1027927339 /nfs/dbraw/zinc/92/73/39/1027927339.db2.gz BQXWBYKOBIZPCF-CYBMUJFWSA-N 1 2 379.489 3.980 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc4c(C#N)c[nH]c4c3)n2)C1 ZINC001142036192 1027927340 /nfs/dbraw/zinc/92/73/40/1027927340.db2.gz BQXWBYKOBIZPCF-CYBMUJFWSA-N 1 2 379.489 3.980 20 30 GHEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc(Br)c3ccccc23)CC1 ZINC001142056405 1027965838 /nfs/dbraw/zinc/96/58/38/1027965838.db2.gz SHJHIVQFTHMQPF-UHFFFAOYSA-N 1 2 387.277 3.881 20 30 GHEDLO N#Cc1nc[nH]c1NC(=O)CC1=C(c2ccccc2)[NH2+]C(c2ccccc2)S1 ZINC001142483908 1028982388 /nfs/dbraw/zinc/98/23/88/1028982388.db2.gz YRWXFVAJOLWBSV-UHFFFAOYSA-N 1 2 386.460 3.853 20 30 GHEDLO C=CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccc(C)c(Cl)c1Cl)C2 ZINC001276717902 1029046300 /nfs/dbraw/zinc/04/63/00/1029046300.db2.gz GWRXPNCKMSUCDU-LJQANCHMSA-N 1 2 383.319 3.539 20 30 GHEDLO C=CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccc(C)c(Cl)c1Cl)C2 ZINC001276717902 1029046316 /nfs/dbraw/zinc/04/63/16/1029046316.db2.gz GWRXPNCKMSUCDU-LJQANCHMSA-N 1 2 383.319 3.539 20 30 GHEDLO Cc1ccc(Nc2ccc(C(=O)N3CCN(c4cccc[nH+]4)CC3)cc2)cc1C#N ZINC001216075915 1029517577 /nfs/dbraw/zinc/51/75/77/1029517577.db2.gz JAXGXZLJERLYKS-UHFFFAOYSA-N 1 2 397.482 3.968 20 30 GHEDLO N#Cc1cc(Nc2ccccc2C[NH+]2CCOCC2)ccc1OC1CCOCC1 ZINC001216667850 1029723438 /nfs/dbraw/zinc/72/34/38/1029723438.db2.gz SYTRCGFKZNSQOK-UHFFFAOYSA-N 1 2 393.487 3.692 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143104879 1029842799 /nfs/dbraw/zinc/84/27/99/1029842799.db2.gz GGDBMAXGDHRBPI-LJQANCHMSA-N 1 2 384.524 3.603 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143104879 1029842805 /nfs/dbraw/zinc/84/28/05/1029842805.db2.gz GGDBMAXGDHRBPI-LJQANCHMSA-N 1 2 384.524 3.603 20 30 GHEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)c1F ZINC001143166131 1029878050 /nfs/dbraw/zinc/87/80/50/1029878050.db2.gz GEIRRRJSRUTZLK-UGKGYDQZSA-N 1 2 399.441 3.682 20 30 GHEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)c1F ZINC001143166131 1029878056 /nfs/dbraw/zinc/87/80/56/1029878056.db2.gz GEIRRRJSRUTZLK-UGKGYDQZSA-N 1 2 399.441 3.682 20 30 GHEDLO N#Cc1ccc(F)c(C[NH+]2CCC3(C[C@@H](OCc4cccnc4)CO3)CC2)c1F ZINC001143169581 1029879969 /nfs/dbraw/zinc/87/99/69/1029879969.db2.gz KTZNRDWSDUPAHU-GOSISDBHSA-N 1 2 399.441 3.572 20 30 GHEDLO C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1c(F)cc(F)cc1Br)CC2 ZINC001276844829 1030329407 /nfs/dbraw/zinc/32/94/07/1030329407.db2.gz RRWLXPWRQJEMMO-CQSZACIVSA-N 1 2 399.279 3.632 20 30 GHEDLO N#Cc1cccc(C[NH2+]Cc2cc(Cl)ccc2I)n1 ZINC001206636791 1030740945 /nfs/dbraw/zinc/74/09/45/1030740945.db2.gz SEELKQFAMMKZPC-UHFFFAOYSA-N 1 2 383.620 3.501 20 30 GHEDLO COc1cc(C#N)ccc1CO[C@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC001224192305 1030921103 /nfs/dbraw/zinc/92/11/03/1030921103.db2.gz MVRAIYYKFMZSGS-HNNXBMFYSA-N 1 2 377.897 3.858 20 30 GHEDLO COc1cc(C#N)ccc1CO[C@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC001224192305 1030921111 /nfs/dbraw/zinc/92/11/11/1030921111.db2.gz MVRAIYYKFMZSGS-HNNXBMFYSA-N 1 2 377.897 3.858 20 30 GHEDLO C[NH+](C)[C@H](C(=O)Nc1ccc(Br)c(C#N)n1)c1cccc(Cl)c1 ZINC001276963423 1030965355 /nfs/dbraw/zinc/96/53/55/1030965355.db2.gz STOTZOCPVYEGGT-HNNXBMFYSA-N 1 2 393.672 3.611 20 30 GHEDLO COc1cc(NC(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)c(F)cc1C#N ZINC001219582258 1031511506 /nfs/dbraw/zinc/51/15/06/1031511506.db2.gz YPHFRPONIAKZDJ-KRWDZBQOSA-N 1 2 393.422 3.545 20 30 GHEDLO COc1ccc(O[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)c(Br)c1 ZINC001225954424 1031713881 /nfs/dbraw/zinc/71/38/81/1031713881.db2.gz BWHGEDASXAMUFN-KRWDZBQOSA-N 1 2 387.277 3.983 20 30 GHEDLO COc1ccc(O[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c(Br)c1 ZINC001225954424 1031713888 /nfs/dbraw/zinc/71/38/88/1031713888.db2.gz BWHGEDASXAMUFN-KRWDZBQOSA-N 1 2 387.277 3.983 20 30 GHEDLO Cc1ccc2c(n1)N(Cc1ccncc1)CC[N@@H+](Cc1ccc(F)c(C#N)c1)C2 ZINC001205472938 1033428282 /nfs/dbraw/zinc/42/82/82/1033428282.db2.gz LYKQOKABKRCXFZ-UHFFFAOYSA-N 1 2 387.462 3.818 20 30 GHEDLO Cc1ccc2c(n1)N(Cc1ccncc1)CC[N@H+](Cc1ccc(F)c(C#N)c1)C2 ZINC001205472938 1033428290 /nfs/dbraw/zinc/42/82/90/1033428290.db2.gz LYKQOKABKRCXFZ-UHFFFAOYSA-N 1 2 387.462 3.818 20 30 GHEDLO COc1cc(/C=C/C(=O)c2ccccc2O)ccc1O[C@H]1CCc2[nH+]ccn2C1 ZINC001229411518 1033466591 /nfs/dbraw/zinc/46/65/91/1033466591.db2.gz QZVIDBNUXPZZAN-NADMHLTPSA-N 1 2 390.439 3.887 20 30 GHEDLO N#Cc1cc(OC(F)(F)F)ccc1OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001229836838 1033743759 /nfs/dbraw/zinc/74/37/59/1033743759.db2.gz KXLYOMOYHZTOSX-GOSISDBHSA-N 1 2 392.377 3.737 20 30 GHEDLO N#Cc1cc(OC(F)(F)F)ccc1OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001229836838 1033743772 /nfs/dbraw/zinc/74/37/72/1033743772.db2.gz KXLYOMOYHZTOSX-GOSISDBHSA-N 1 2 392.377 3.737 20 30 GHEDLO C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2nc(=O)[nH]c(CN3CCCC3=[NH2+])c2Cl)O1 ZINC001230091756 1033895588 /nfs/dbraw/zinc/89/55/88/1033895588.db2.gz MPHNAXGKQFPYRZ-YJYMSZOUSA-N 1 2 394.903 3.690 20 30 GHEDLO C#C[C@@H](NC(=O)N1CC[NH+]([C@H](CC)c2ccc(F)cc2)CC1)c1ccccc1 ZINC001230489912 1034087297 /nfs/dbraw/zinc/08/72/97/1034087297.db2.gz ZBVLICRUUCLINM-FGZHOGPDSA-N 1 2 379.479 3.979 20 30 GHEDLO C#Cc1cccc(C[N@H+]2Cc3ncn(CC4CC4)c3[C@H](COCC3CC3)C2)c1 ZINC001231656104 1034813719 /nfs/dbraw/zinc/81/37/19/1034813719.db2.gz XTMOBONAIFXNED-QFIPXVFZSA-N 1 2 375.516 3.800 20 30 GHEDLO C#Cc1cccc(C[N@@H+]2Cc3ncn(CC4CC4)c3[C@H](COCC3CC3)C2)c1 ZINC001231656104 1034813724 /nfs/dbraw/zinc/81/37/24/1034813724.db2.gz XTMOBONAIFXNED-QFIPXVFZSA-N 1 2 375.516 3.800 20 30 GHEDLO COc1cc(C[N@@H+]2CCC[C@@H](C#N)CC2)c(Br)cc1OC(C)=O ZINC001231688130 1034836843 /nfs/dbraw/zinc/83/68/43/1034836843.db2.gz JVTOSMDCGHIPBX-CYBMUJFWSA-N 1 2 381.270 3.509 20 30 GHEDLO COc1cc(C[N@H+]2CCC[C@@H](C#N)CC2)c(Br)cc1OC(C)=O ZINC001231688130 1034836848 /nfs/dbraw/zinc/83/68/48/1034836848.db2.gz JVTOSMDCGHIPBX-CYBMUJFWSA-N 1 2 381.270 3.509 20 30 GHEDLO N#Cc1nccc2cc(-c3ccc(OCC[NH+]4CCOCC4)cc3F)ccc21 ZINC001244138280 1036393894 /nfs/dbraw/zinc/39/38/94/1036393894.db2.gz OIKDWIBKNAPBLE-UHFFFAOYSA-N 1 2 377.419 3.624 20 30 GHEDLO CCCCCCCC[C@H](O)CNc1c2c(nn1C(=O)OCC)C(C)(C)[NH2+]C2 ZINC001245996455 1037117123 /nfs/dbraw/zinc/11/71/23/1037117123.db2.gz RCSKUHXCHMZTCN-HNNXBMFYSA-N 1 2 380.533 3.749 20 30 GHEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1cccc(Br)c1N)CCO2 ZINC001232524823 1038289405 /nfs/dbraw/zinc/28/94/05/1038289405.db2.gz FYQLISNSYZOVEH-QFBILLFUSA-N 1 2 395.341 3.605 20 30 GHEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1cccc(Br)c1N)CCO2 ZINC001232524823 1038289410 /nfs/dbraw/zinc/28/94/10/1038289410.db2.gz FYQLISNSYZOVEH-QFBILLFUSA-N 1 2 395.341 3.605 20 30 GHEDLO C=CCCCNC(=S)NCc1c[nH+]cn1Cc1cccc(Br)c1 ZINC001247790342 1038383605 /nfs/dbraw/zinc/38/36/05/1038383605.db2.gz PHFDXJSLQROMOZ-UHFFFAOYSA-N 1 2 393.354 3.624 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(Br)nc1C ZINC001277689967 1038404398 /nfs/dbraw/zinc/40/43/98/1038404398.db2.gz BRJVOSSVQVZWOV-IBGZPJMESA-N 1 2 392.341 3.686 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(Br)nc1C ZINC001277689967 1038404402 /nfs/dbraw/zinc/40/44/02/1038404402.db2.gz BRJVOSSVQVZWOV-IBGZPJMESA-N 1 2 392.341 3.686 20 30 GHEDLO CC(C)NC(=O)c1ccccc1OC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001232892777 1038685785 /nfs/dbraw/zinc/68/57/85/1038685785.db2.gz GKSWCIOCZVQYEH-UHFFFAOYSA-N 1 2 395.478 3.879 20 30 GHEDLO COc1cccc(C(=O)C2CC[NH+](Cc3ccc(N(C)C)c(C#N)c3F)CC2)c1 ZINC001233098803 1038874421 /nfs/dbraw/zinc/87/44/21/1038874421.db2.gz NYKKINHMVVYHKB-UHFFFAOYSA-N 1 2 395.478 3.867 20 30 GHEDLO CCCCCCCC[C@@H](O)C[N@H+]1Cc2nnn(CC3CC3)c2[C@H](COCC)C1 ZINC001252126357 1038875911 /nfs/dbraw/zinc/87/59/11/1038875911.db2.gz OXNSYAXNPPPQHE-VQTJNVASSA-N 1 2 392.588 3.735 20 30 GHEDLO CCCCCCCC[C@@H](O)C[N@@H+]1Cc2nnn(CC3CC3)c2[C@H](COCC)C1 ZINC001252126357 1038875939 /nfs/dbraw/zinc/87/59/39/1038875939.db2.gz OXNSYAXNPPPQHE-VQTJNVASSA-N 1 2 392.588 3.735 20 30 GHEDLO C[N@@H+](Cc1c(F)cc(Br)cc1F)C[C@@H](O)c1cccc(C#N)c1 ZINC001462412914 1070235747 /nfs/dbraw/zinc/23/57/47/1070235747.db2.gz WNEBHKLIHLRNBL-QGZVFWFLSA-N 1 2 381.220 3.764 20 30 GHEDLO C[N@H+](Cc1c(F)cc(Br)cc1F)C[C@@H](O)c1cccc(C#N)c1 ZINC001462412914 1070235760 /nfs/dbraw/zinc/23/57/60/1070235760.db2.gz WNEBHKLIHLRNBL-QGZVFWFLSA-N 1 2 381.220 3.764 20 30 GHEDLO Cc1nn(C)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c1Sc1ccc(Cl)cc1 ZINC001234850211 1040368441 /nfs/dbraw/zinc/36/84/41/1040368441.db2.gz UWGZYJFIMWJQBU-WLARWPFNSA-N 1 2 391.924 3.524 20 30 GHEDLO Cc1nn(C)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c1Sc1ccc(Cl)cc1 ZINC001234850211 1040368457 /nfs/dbraw/zinc/36/84/57/1040368457.db2.gz UWGZYJFIMWJQBU-WLARWPFNSA-N 1 2 391.924 3.524 20 30 GHEDLO C[C@H](c1ccc(Br)cc1)[NH+]1CCN(c2cccc(CC#N)n2)CC1 ZINC001255095165 1040778274 /nfs/dbraw/zinc/77/82/74/1040778274.db2.gz DRCBOBLCRQPUNZ-OAHLLOKOSA-N 1 2 385.309 3.793 20 30 GHEDLO N#Cc1cc(F)c(C[NH+]2CCC3(CCC(=O)N3Cc3ccccc3)CC2)c(F)c1 ZINC001235656200 1041101123 /nfs/dbraw/zinc/10/11/23/1041101123.db2.gz BFUXJURLFYYHGZ-UHFFFAOYSA-N 1 2 395.453 3.994 20 30 GHEDLO N#Cc1cc(F)c(C[N@@H+]2CC[C@H]3O[C@@H](COCc4ccccn4)CC[C@H]32)c(F)c1 ZINC001235657587 1041106519 /nfs/dbraw/zinc/10/65/19/1041106519.db2.gz SIWSCVGAFXZMKT-ZPMCFJSWSA-N 1 2 399.441 3.570 20 30 GHEDLO N#Cc1cc(F)c(C[N@H+]2CC[C@H]3O[C@@H](COCc4ccccn4)CC[C@H]32)c(F)c1 ZINC001235657587 1041106531 /nfs/dbraw/zinc/10/65/31/1041106531.db2.gz SIWSCVGAFXZMKT-ZPMCFJSWSA-N 1 2 399.441 3.570 20 30 GHEDLO Cc1ccc(N2C[C@]3(CC[N@H+](Cc4c(F)cc(C#N)cc4F)C3)CC2=O)s1 ZINC001235657047 1041106614 /nfs/dbraw/zinc/10/66/14/1041106614.db2.gz JNXCWADALSRFKL-HXUWFJFHSA-N 1 2 387.455 3.835 20 30 GHEDLO Cc1ccc(N2C[C@]3(CC[N@@H+](Cc4c(F)cc(C#N)cc4F)C3)CC2=O)s1 ZINC001235657047 1041106620 /nfs/dbraw/zinc/10/66/20/1041106620.db2.gz JNXCWADALSRFKL-HXUWFJFHSA-N 1 2 387.455 3.835 20 30 GHEDLO COC(=O)[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1CCN(c2ccc(Cl)cc2)CC1 ZINC001256307225 1041694969 /nfs/dbraw/zinc/69/49/69/1041694969.db2.gz NFPKQQLZCWGCEI-OAQYLSRUSA-N 1 2 397.906 3.554 20 30 GHEDLO COC(=O)[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc(C#N)c(Br)c1 ZINC001236865293 1041933067 /nfs/dbraw/zinc/93/30/67/1041933067.db2.gz BRVIPVJBPLABLZ-SFHVURJKSA-N 1 2 387.277 3.537 20 30 GHEDLO COC(=O)[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(C#N)c(Br)c1 ZINC001236865293 1041933069 /nfs/dbraw/zinc/93/30/69/1041933069.db2.gz BRVIPVJBPLABLZ-SFHVURJKSA-N 1 2 387.277 3.537 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCC(O)(c3ccccc3F)CC2)cc1Br ZINC001236864772 1041933717 /nfs/dbraw/zinc/93/37/17/1041933717.db2.gz USUBSZYSAFUOOW-UHFFFAOYSA-N 1 2 389.268 3.943 20 30 GHEDLO N#Cc1cc(C[NH+]2CCN(c3ccc(OCc4ccccc4)cc3)CC2)ccn1 ZINC001237466965 1042219585 /nfs/dbraw/zinc/21/95/85/1042219585.db2.gz PONJEHOPSMGRNT-UHFFFAOYSA-N 1 2 384.483 3.854 20 30 GHEDLO N#Cc1cc(C[N@@H+]2CC[C@H]3O[C@H](COCc4ccccn4)CC[C@H]32)c(F)cc1F ZINC001237526106 1042251090 /nfs/dbraw/zinc/25/10/90/1042251090.db2.gz KMCJGRBJOHDMPW-VLCRHTCISA-N 1 2 399.441 3.570 20 30 GHEDLO N#Cc1cc(C[N@H+]2CC[C@H]3O[C@H](COCc4ccccn4)CC[C@H]32)c(F)cc1F ZINC001237526106 1042251097 /nfs/dbraw/zinc/25/10/97/1042251097.db2.gz KMCJGRBJOHDMPW-VLCRHTCISA-N 1 2 399.441 3.570 20 30 GHEDLO Cc1ccc(N2C[C@]3(CC[N@H+](Cc4cc(C#N)c(F)cc4F)C3)CC2=O)s1 ZINC001237525890 1042251325 /nfs/dbraw/zinc/25/13/25/1042251325.db2.gz KPXVABXRTQJRBZ-HXUWFJFHSA-N 1 2 387.455 3.835 20 30 GHEDLO Cc1ccc(N2C[C@]3(CC[N@@H+](Cc4cc(C#N)c(F)cc4F)C3)CC2=O)s1 ZINC001237525890 1042251329 /nfs/dbraw/zinc/25/13/29/1042251329.db2.gz KPXVABXRTQJRBZ-HXUWFJFHSA-N 1 2 387.455 3.835 20 30 GHEDLO Cn1ncc2c1C[N@H+](Cc1cc(Cl)cc(C#N)c1)C[C@H]2COc1cccnc1 ZINC001237749122 1042352240 /nfs/dbraw/zinc/35/22/40/1042352240.db2.gz QCWMDCCXKXCOIN-KRWDZBQOSA-N 1 2 393.878 3.519 20 30 GHEDLO Cn1ncc2c1C[N@@H+](Cc1cc(Cl)cc(C#N)c1)C[C@H]2COc1cccnc1 ZINC001237749122 1042352249 /nfs/dbraw/zinc/35/22/49/1042352249.db2.gz QCWMDCCXKXCOIN-KRWDZBQOSA-N 1 2 393.878 3.519 20 30 GHEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2ccc(O)c(OCc3ccccc3)c2)CC1 ZINC001238258524 1042534995 /nfs/dbraw/zinc/53/49/95/1042534995.db2.gz IUDJFVKEGAKKGV-UHFFFAOYSA-N 1 2 394.471 3.640 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(F)cc(N4CCCC4)c3)CC2)c(F)c1 ZINC001238711897 1042696648 /nfs/dbraw/zinc/69/66/48/1042696648.db2.gz UIUDJAUFFHXUMZ-UHFFFAOYSA-N 1 2 382.458 3.759 20 30 GHEDLO COc1cc(C#N)ccc1OC1CC[NH+](Cc2cc(OC(C)C)ncc2F)CC1 ZINC001238799796 1042734008 /nfs/dbraw/zinc/73/40/08/1042734008.db2.gz QPHINYFRYDJLSZ-UHFFFAOYSA-N 1 2 399.466 3.932 20 30 GHEDLO CSc1ccc(CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1C#N ZINC001262080109 1046176416 /nfs/dbraw/zinc/17/64/16/1046176416.db2.gz LVXAOPAVRYCSBO-UHFFFAOYSA-N 1 2 397.548 3.879 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC[C@H](CC#N)C1 ZINC001262977975 1046463452 /nfs/dbraw/zinc/46/34/52/1046463452.db2.gz TWZKMOVIJZRTFW-AZUAARDMSA-N 1 2 378.524 3.787 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC[C@H](CC#N)C1 ZINC001262977975 1046463459 /nfs/dbraw/zinc/46/34/59/1046463459.db2.gz TWZKMOVIJZRTFW-AZUAARDMSA-N 1 2 378.524 3.787 20 30 GHEDLO C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1Cc1c[nH+]ccc1OC ZINC001286454579 1048330951 /nfs/dbraw/zinc/33/09/51/1048330951.db2.gz KUCCRDNWEMCBJN-UHFFFAOYSA-N 1 2 393.466 3.632 20 30 GHEDLO C=C1CCN(c2nnc(-c3ccccc3C)n2Cc2c[nH+]ccc2OC)CC1 ZINC001286643424 1048408169 /nfs/dbraw/zinc/40/81/69/1048408169.db2.gz IEHUBUWQFSDRRM-UHFFFAOYSA-N 1 2 375.476 3.862 20 30 GHEDLO C=CCN(C)c1nnc(C2CCC2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001286722882 1048479938 /nfs/dbraw/zinc/47/99/38/1048479938.db2.gz BEBIVKAXXGUXRM-NRFANRHFSA-N 1 2 395.551 3.550 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CC#Cc3ccc(C(F)(F)F)cc3)[C@@H]2C1 ZINC001307863358 1049644982 /nfs/dbraw/zinc/64/49/82/1049644982.db2.gz SBWRAJOXUVOCFY-SJLPKXTDSA-N 1 2 394.437 3.998 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CC#Cc3ccc(C(F)(F)F)cc3)[C@@H]2C1 ZINC001307863358 1049644988 /nfs/dbraw/zinc/64/49/88/1049644988.db2.gz SBWRAJOXUVOCFY-SJLPKXTDSA-N 1 2 394.437 3.998 20 30 GHEDLO C#CC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCCc2ccccc21 ZINC001308104269 1049850561 /nfs/dbraw/zinc/85/05/61/1049850561.db2.gz PPBPHRRFDDJMFY-HXUWFJFHSA-N 1 2 393.443 3.555 20 30 GHEDLO C#CC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCCc2ccccc21 ZINC001308104269 1049850570 /nfs/dbraw/zinc/85/05/70/1049850570.db2.gz PPBPHRRFDDJMFY-HXUWFJFHSA-N 1 2 393.443 3.555 20 30 GHEDLO CCC(C#N)(CC)c1nnc(N2CCC(Nc3cccc[nH+]3)CC2)n1CC(C)C ZINC001342957391 1053459017 /nfs/dbraw/zinc/45/90/17/1053459017.db2.gz QNWHCPGSRSHGOP-UHFFFAOYSA-N 1 2 395.555 3.991 20 30 GHEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC(c2cccc(F)c2)CC1 ZINC001343315231 1053698237 /nfs/dbraw/zinc/69/82/37/1053698237.db2.gz PHZRQVBNMVGJLJ-UHFFFAOYSA-N 1 2 394.498 3.702 20 30 GHEDLO C=C(C)Cn1c(-c2ccc(C)cc2C)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001343377840 1053736331 /nfs/dbraw/zinc/73/63/31/1053736331.db2.gz NMTIXJDBACDONN-UHFFFAOYSA-N 1 2 388.519 3.860 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCCO[C@H](C)C1 ZINC001343456790 1053782617 /nfs/dbraw/zinc/78/26/17/1053782617.db2.gz IOKSXLMKEJUZJB-MOPGFXCFSA-N 1 2 383.540 3.662 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCCO[C@H](C)C1 ZINC001343456790 1053782626 /nfs/dbraw/zinc/78/26/26/1053782626.db2.gz IOKSXLMKEJUZJB-MOPGFXCFSA-N 1 2 383.540 3.662 20 30 GHEDLO C[N@@H+]1CCCC[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1Cc1ccccc1 ZINC001343720935 1053985217 /nfs/dbraw/zinc/98/52/17/1053985217.db2.gz AHNXNIDTRODGJW-HXUWFJFHSA-N 1 2 378.524 3.613 20 30 GHEDLO C[N@H+]1CCCC[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1Cc1ccccc1 ZINC001343720935 1053985223 /nfs/dbraw/zinc/98/52/23/1053985223.db2.gz AHNXNIDTRODGJW-HXUWFJFHSA-N 1 2 378.524 3.613 20 30 GHEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@H]([C@H]2CCCCO2)C1 ZINC001343771991 1054014421 /nfs/dbraw/zinc/01/44/21/1054014421.db2.gz IFMXLPQWVZHMRY-VQTJNVASSA-N 1 2 387.572 3.626 20 30 GHEDLO CC[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1ccccc1F ZINC001319314019 1055177764 /nfs/dbraw/zinc/17/77/64/1055177764.db2.gz AKBIPSOHUXJBRO-UHFFFAOYSA-N 1 2 392.396 3.834 20 30 GHEDLO CC[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1ccccc1F ZINC001319314019 1055177773 /nfs/dbraw/zinc/17/77/73/1055177773.db2.gz AKBIPSOHUXJBRO-UHFFFAOYSA-N 1 2 392.396 3.834 20 30 GHEDLO C#CCOc1ccccc1C[NH2+]Cc1cccc(F)c1I ZINC001200553107 1056312401 /nfs/dbraw/zinc/31/24/01/1056312401.db2.gz ZZWMTUZEFDFXQM-UHFFFAOYSA-N 1 2 395.215 3.732 20 30 GHEDLO CCCCN(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1Cc1ccccc1 ZINC001354329780 1056534341 /nfs/dbraw/zinc/53/43/41/1056534341.db2.gz GSABLSGGYHCOPX-UHFFFAOYSA-N 1 2 380.540 3.656 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCC[C@H]2C)CC1 ZINC001300688219 1056876301 /nfs/dbraw/zinc/87/63/01/1056876301.db2.gz CLEYUCCQULVLKZ-MJGOQNOKSA-N 1 2 397.954 3.790 20 30 GHEDLO CN(c1nnc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)n1C)[C@H]1CCC[C@@H]1C#N ZINC001355554765 1057211379 /nfs/dbraw/zinc/21/13/79/1057211379.db2.gz XEJDDXBLKJVNIX-AABGKKOBSA-N 1 2 378.524 3.671 20 30 GHEDLO CN(c1nnc([C@@H]2CCCC[N@H+]2Cc2ccccc2)n1C)[C@H]1CCC[C@@H]1C#N ZINC001355554765 1057211386 /nfs/dbraw/zinc/21/13/86/1057211386.db2.gz XEJDDXBLKJVNIX-AABGKKOBSA-N 1 2 378.524 3.671 20 30 GHEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@@H]1c1ccc(F)cc1C ZINC001355977225 1057340802 /nfs/dbraw/zinc/34/08/02/1057340802.db2.gz QAYWIZHDSIPZTP-LJQANCHMSA-N 1 2 394.498 3.968 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC=C(c2ccc(O)cc2)CC1 ZINC001338895488 1058862811 /nfs/dbraw/zinc/86/28/11/1058862811.db2.gz JAJMPNTWNUEGLE-FQEVSTJZSA-N 1 2 379.508 3.620 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC=C(c2ccc(O)cc2)CC1 ZINC001338895488 1058862829 /nfs/dbraw/zinc/86/28/29/1058862829.db2.gz JAJMPNTWNUEGLE-FQEVSTJZSA-N 1 2 379.508 3.620 20 30 GHEDLO Cc1ccccc1[C@@H]1C[C@H](C)N(c2nnc(C3CC[NH+](CCC#N)CC3)n2C)C1 ZINC001338924476 1058885646 /nfs/dbraw/zinc/88/56/46/1058885646.db2.gz MACBBXVJHCQABK-AZUAARDMSA-N 1 2 392.551 3.599 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2Cc2ccccc2)nnc1N1CCC(C)CC1 ZINC001339090871 1058956069 /nfs/dbraw/zinc/95/60/69/1058956069.db2.gz HPHINLACLBSXET-UHFFFAOYSA-N 1 2 376.508 3.536 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N(C)Cc1c(C)noc1C ZINC001339137625 1058976822 /nfs/dbraw/zinc/97/68/22/1058976822.db2.gz WFRQNPJWNMQVHD-GOSISDBHSA-N 1 2 383.500 3.537 20 30 GHEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+](C)[C@@H]2CC[C@H](SC)C2)c1=S ZINC001339603711 1059337797 /nfs/dbraw/zinc/33/77/97/1059337797.db2.gz DZUXRHZDYMVESU-CVEARBPZSA-N 1 2 375.567 3.835 20 30 GHEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+](C)[C@@H]2CC[C@H](SC)C2)c1=S ZINC001339603711 1059337818 /nfs/dbraw/zinc/33/78/18/1059337818.db2.gz DZUXRHZDYMVESU-CVEARBPZSA-N 1 2 375.567 3.835 20 30 GHEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1Cc2ccccc2[C@H]1CC ZINC001340195771 1059757409 /nfs/dbraw/zinc/75/74/09/1059757409.db2.gz OTGLXYZGSFZRBF-NRSPTQNISA-N 1 2 393.535 3.861 20 30 GHEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1Cc2ccccc2[C@H]1CC ZINC001340195771 1059757421 /nfs/dbraw/zinc/75/74/21/1059757421.db2.gz OTGLXYZGSFZRBF-NRSPTQNISA-N 1 2 393.535 3.861 20 30 GHEDLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)C1 ZINC001340540596 1059968500 /nfs/dbraw/zinc/96/85/00/1059968500.db2.gz OSWRVNKCTCFGOO-QUCCMNQESA-N 1 2 391.519 3.566 20 30 GHEDLO C=CCn1c(N2CCC(Nc3cccc[nH+]3)CC2)nnc1C(C#N)(CC)CC ZINC001340756037 1060098627 /nfs/dbraw/zinc/09/86/27/1060098627.db2.gz IVPFMLLXHPBLBX-UHFFFAOYSA-N 1 2 379.512 3.521 20 30 GHEDLO C/C(=C/C(=O)Nc1ccc(Sc2ccccc2C#N)cc1)C[NH+]1CCOCC1 ZINC001449578796 1060428119 /nfs/dbraw/zinc/42/81/19/1060428119.db2.gz WOOISALBQZPCKM-VKAVYKQESA-N 1 2 393.512 3.926 20 30 GHEDLO C[N@@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CCc1ccccc1 ZINC001341624839 1060780243 /nfs/dbraw/zinc/78/02/43/1060780243.db2.gz XZACNWGLGJZNCM-NFBKMPQASA-N 1 2 392.551 3.808 20 30 GHEDLO C[N@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CCc1ccccc1 ZINC001341624839 1060780256 /nfs/dbraw/zinc/78/02/56/1060780256.db2.gz XZACNWGLGJZNCM-NFBKMPQASA-N 1 2 392.551 3.808 20 30 GHEDLO C=C(C)Cn1c(Cc2[nH+]ccn2Cc2ccccc2)nnc1N1CC[C@@H]2C[C@@H]2C1 ZINC001341868492 1060930096 /nfs/dbraw/zinc/93/00/96/1060930096.db2.gz PSSKUJATFMLHON-WOJBJXKFSA-N 1 2 388.519 3.536 20 30 GHEDLO C=C(C)Cn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@@H](COCC)C1 ZINC001342004927 1060992316 /nfs/dbraw/zinc/99/23/16/1060992316.db2.gz RURABFXFUKGUKG-TZIWHRDSSA-N 1 2 397.567 3.910 20 30 GHEDLO C=C(C)Cn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@@H](COCC)C1 ZINC001342004927 1060992321 /nfs/dbraw/zinc/99/23/21/1060992321.db2.gz RURABFXFUKGUKG-TZIWHRDSSA-N 1 2 397.567 3.910 20 30 GHEDLO C=C(C)Cn1c([C@@H](C)OC(C)(C)C)nnc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001342006008 1060993073 /nfs/dbraw/zinc/99/30/73/1060993073.db2.gz VRQQIDSWVLZMGH-MRXNPFEDSA-N 1 2 398.555 3.754 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC(OCCC(C)C)CC1 ZINC001346180339 1061433884 /nfs/dbraw/zinc/43/38/84/1061433884.db2.gz YZYCDVSNWVAMSQ-IBGZPJMESA-N 1 2 375.561 3.652 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC(OCCC(C)C)CC1 ZINC001346180339 1061433897 /nfs/dbraw/zinc/43/38/97/1061433897.db2.gz YZYCDVSNWVAMSQ-IBGZPJMESA-N 1 2 375.561 3.652 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC001346188083 1061437316 /nfs/dbraw/zinc/43/73/16/1061437316.db2.gz PXFIIMYWOOEKBF-RYQLBKOJSA-N 1 2 387.553 3.649 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC001346188083 1061437319 /nfs/dbraw/zinc/43/73/19/1061437319.db2.gz PXFIIMYWOOEKBF-RYQLBKOJSA-N 1 2 387.553 3.649 20 30 GHEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC(F)(F)C[C@H]1C ZINC001346187824 1061437420 /nfs/dbraw/zinc/43/74/20/1061437420.db2.gz IUPZZVBRHKAJCI-MRXNPFEDSA-N 1 2 392.498 3.571 20 30 GHEDLO C#CCN(CC1CC1)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC001347408562 1062362564 /nfs/dbraw/zinc/36/25/64/1062362564.db2.gz OFCXKULBUSJCOJ-GOSISDBHSA-N 1 2 377.891 3.671 20 30 GHEDLO Cc1cc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)cc(C)c1C#N ZINC001435751571 1062910279 /nfs/dbraw/zinc/91/02/79/1062910279.db2.gz WDQZUPDYODMDNN-LEWJYISDSA-N 1 2 397.906 3.630 20 30 GHEDLO Cc1cc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)cc(C)c1C#N ZINC001435751571 1062910284 /nfs/dbraw/zinc/91/02/84/1062910284.db2.gz WDQZUPDYODMDNN-LEWJYISDSA-N 1 2 397.906 3.630 20 30 GHEDLO N#Cc1c(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)sc2c1CCCC2 ZINC001348366118 1063025797 /nfs/dbraw/zinc/02/57/97/1063025797.db2.gz ULJCYNRAKVFJBC-UHFFFAOYSA-N 1 2 393.428 3.845 20 30 GHEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC001459723682 1064187110 /nfs/dbraw/zinc/18/71/10/1064187110.db2.gz ODUCMTSWLWMCEK-GOSISDBHSA-N 1 2 396.922 3.797 20 30 GHEDLO Cc1cc(CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc(C)[nH+]1 ZINC001465166197 1065432133 /nfs/dbraw/zinc/43/21/33/1065432133.db2.gz LCILLJSFGFTFJC-UHFFFAOYSA-N 1 2 377.473 3.939 20 30 GHEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC001465590973 1065733075 /nfs/dbraw/zinc/73/30/75/1065733075.db2.gz DFJABDIMUJKXBN-QGZVFWFLSA-N 1 2 394.475 3.535 20 30 GHEDLO C#CCSCC(=O)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC001353787010 1066253779 /nfs/dbraw/zinc/25/37/79/1066253779.db2.gz VLHHGGALANSSCC-UHFFFAOYSA-N 1 2 388.533 3.565 20 30 GHEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)Nc1nc(Cl)c(C#N)s1)c1ccccc1 ZINC001466806097 1066326386 /nfs/dbraw/zinc/32/63/86/1066326386.db2.gz IECDEVXWLSBJPW-GFCCVEGCSA-N 1 2 386.868 3.507 20 30 GHEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCc3cc(Cl)cc(Br)c3C2)CCC1 ZINC001473826369 1067576384 /nfs/dbraw/zinc/57/63/84/1067576384.db2.gz PROHFYHMOPKSSK-CQSZACIVSA-N 1 2 383.717 3.905 20 30 GHEDLO N#CC1(C[C@@H](O)C[N@H+]2CCc3cc(Cl)cc(Br)c3C2)CCC1 ZINC001473826369 1067576393 /nfs/dbraw/zinc/57/63/93/1067576393.db2.gz PROHFYHMOPKSSK-CQSZACIVSA-N 1 2 383.717 3.905 20 30 GHEDLO C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1CCCNc1cccc[nH+]1 ZINC001359071127 1067671698 /nfs/dbraw/zinc/67/16/98/1067671698.db2.gz FENGHAFQZORWKV-JOCHJYFZSA-N 1 2 380.540 3.756 20 30 GHEDLO C#C[C@@H](NC(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@H]1C)c1ccccc1 ZINC001470663411 1072675327 /nfs/dbraw/zinc/67/53/27/1072675327.db2.gz RQVHHMMPVDRSEV-DENIHFKCSA-N 1 2 391.515 3.676 20 30 GHEDLO C#C[C@@H](NC(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@H]1C)c1ccccc1 ZINC001470663411 1072675330 /nfs/dbraw/zinc/67/53/30/1072675330.db2.gz RQVHHMMPVDRSEV-DENIHFKCSA-N 1 2 391.515 3.676 20 30 GHEDLO C#CC[N@@H+](CC(=O)Nc1nnc(CCCCC)s1)[C@H]1CCc2ccccc21 ZINC001473122175 1073790209 /nfs/dbraw/zinc/79/02/09/1073790209.db2.gz RUMVOMRMPOGCPB-SFHVURJKSA-N 1 2 382.533 3.832 20 30 GHEDLO C#CC[N@H+](CC(=O)Nc1nnc(CCCCC)s1)[C@H]1CCc2ccccc21 ZINC001473122175 1073790216 /nfs/dbraw/zinc/79/02/16/1073790216.db2.gz RUMVOMRMPOGCPB-SFHVURJKSA-N 1 2 382.533 3.832 20 30 GHEDLO Fc1cccc(C[NH+]2CCN(CC#Cc3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC001473344893 1073929259 /nfs/dbraw/zinc/92/92/59/1073929259.db2.gz HNDQYDUFGLODRC-UHFFFAOYSA-N 1 2 392.396 3.894 20 30 GHEDLO C#CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1sc(CC)cc1C(=O)OCC ZINC001473454399 1073971580 /nfs/dbraw/zinc/97/15/80/1073971580.db2.gz QABQGYBVSYTQCY-INIZCTEOSA-N 1 2 398.528 3.950 20 30 GHEDLO C#CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1sc(CC)cc1C(=O)OCC ZINC001473454399 1073971581 /nfs/dbraw/zinc/97/15/81/1073971581.db2.gz QABQGYBVSYTQCY-INIZCTEOSA-N 1 2 398.528 3.950 20 30 GHEDLO Cc1nsc(N2CC[NH+](CCSc3ccc(F)cc3F)CC2)c1C#N ZINC001473516871 1073997607 /nfs/dbraw/zinc/99/76/07/1073997607.db2.gz SNEAQUUZDKUGNL-UHFFFAOYSA-N 1 2 380.489 3.516 20 30 GHEDLO C=CCn1cc(C[NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)nn1 ZINC001474185821 1074287222 /nfs/dbraw/zinc/28/72/22/1074287222.db2.gz CHNYKSBEVVGJKO-UHFFFAOYSA-N 1 2 390.310 3.640 20 30 GHEDLO C#C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)c1ccc(Br)cc1 ZINC001474547281 1074458258 /nfs/dbraw/zinc/45/82/58/1074458258.db2.gz YAMVFDAYAILUPI-AWEZNQCLSA-N 1 2 391.221 3.536 20 30 GHEDLO CCOC(=O)c1csc(CC2CC[NH+](Cc3cccc(F)c3C#N)CC2)n1 ZINC001474686162 1074514206 /nfs/dbraw/zinc/51/42/06/1074514206.db2.gz NLVHFNFZLZWCKE-UHFFFAOYSA-N 1 2 387.480 3.785 20 30 GHEDLO N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(c4[nH]cc[nH+]4)CC3)cc2)nc1 ZINC001476056560 1075076445 /nfs/dbraw/zinc/07/64/45/1075076445.db2.gz HPLIHGHEYGEVLK-UHFFFAOYSA-N 1 2 388.431 3.880 20 30 GHEDLO CN(C)c1nc(-c2ccccc2)c(C=[NH+]Nc2ccc(-c3nn[nH]n3)cc2)s1 ZINC000825884291 607885892 /nfs/dbraw/zinc/88/58/92/607885892.db2.gz YFLMMKFKUOBPGG-UHFFFAOYSA-N 1 2 390.476 3.502 20 30 GHEDLO N#Cc1ccc(C2=CCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)cc1 ZINC000826384590 608442310 /nfs/dbraw/zinc/44/23/10/608442310.db2.gz BMHFSDABWTZVHC-UHFFFAOYSA-N 1 2 379.427 3.580 20 30 GHEDLO C[NH+](C)[C@H](CNc1c(C#N)cnc2c(F)ccc(F)c21)c1c(F)cccc1F ZINC000610278611 837765418 /nfs/dbraw/zinc/76/54/18/837765418.db2.gz SVMCSFOVDXGZCM-MRXNPFEDSA-N 1 2 388.368 3.800 20 30 GHEDLO Cc1cccc([C@H](CN=Cc2cc3ccccc3[nH]c2=O)[NH+]2CCOCC2)c1 ZINC000255601968 834956119 /nfs/dbraw/zinc/95/61/19/834956119.db2.gz NEIBGFZQGQEHTR-IOOSODASSA-N 1 2 375.472 3.741 20 30 GHEDLO Cc1[nH+]c2cc(NS(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)ccc2n1C ZINC000548837199 835004211 /nfs/dbraw/zinc/00/42/11/835004211.db2.gz PSLVUMSHSOANKZ-UHFFFAOYSA-N 1 2 394.378 3.573 20 30 GHEDLO CC(C)C[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(Cl)c(C#N)c3)c2C1 ZINC000512944617 844015916 /nfs/dbraw/zinc/01/59/16/844015916.db2.gz FWRKAHVBLYRBFV-UHFFFAOYSA-N 1 2 389.908 3.984 20 30 GHEDLO CC(C)C[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(Cl)c(C#N)c3)c2C1 ZINC000512944617 844015921 /nfs/dbraw/zinc/01/59/21/844015921.db2.gz FWRKAHVBLYRBFV-UHFFFAOYSA-N 1 2 389.908 3.984 20 30 GHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000512506294 844030764 /nfs/dbraw/zinc/03/07/64/844030764.db2.gz JNSVQNACQYSVSV-FQEVSTJZSA-N 1 2 397.479 3.556 20 30 GHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000512506294 844030771 /nfs/dbraw/zinc/03/07/71/844030771.db2.gz JNSVQNACQYSVSV-FQEVSTJZSA-N 1 2 397.479 3.556 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000433339752 844035057 /nfs/dbraw/zinc/03/50/57/844035057.db2.gz BRJDGNZNSOCDQD-UHFFFAOYSA-N 1 2 388.471 3.819 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(C#N)s2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000584046400 835509922 /nfs/dbraw/zinc/50/99/22/835509922.db2.gz IYOXUDVXOJDYKP-IAGOWNOFSA-N 1 2 392.887 3.657 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)NCc2ccc(C#N)s2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000584046400 835509926 /nfs/dbraw/zinc/50/99/26/835509926.db2.gz IYOXUDVXOJDYKP-IAGOWNOFSA-N 1 2 392.887 3.657 20 30 GHEDLO C[C@]1(C#N)CCC[N@@H+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000612163308 835726608 /nfs/dbraw/zinc/72/66/08/835726608.db2.gz REORJILEYCYXFS-PKOBYXMFSA-N 1 2 379.426 3.822 20 30 GHEDLO C[C@]1(C#N)CCC[N@H+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000612163308 835726612 /nfs/dbraw/zinc/72/66/12/835726612.db2.gz REORJILEYCYXFS-PKOBYXMFSA-N 1 2 379.426 3.822 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000548905475 835924992 /nfs/dbraw/zinc/92/49/92/835924992.db2.gz OCXRYYNQZABLBB-KUHUBIRLSA-N 1 2 395.528 3.681 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000548905475 835924999 /nfs/dbraw/zinc/92/49/99/835924999.db2.gz OCXRYYNQZABLBB-KUHUBIRLSA-N 1 2 395.528 3.681 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(C(F)(F)F)s3)CC2)cc1 ZINC000585873313 844189601 /nfs/dbraw/zinc/18/96/01/844189601.db2.gz REMWDLUMDJAWLY-UHFFFAOYSA-N 1 2 393.434 3.987 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(C(F)(F)F)s3)CC2)cc1 ZINC000585873313 844189603 /nfs/dbraw/zinc/18/96/03/844189603.db2.gz REMWDLUMDJAWLY-UHFFFAOYSA-N 1 2 393.434 3.987 20 30 GHEDLO C#CC[N@@H+](CC(=O)Nc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CCc2ccccc21 ZINC001167178436 836814594 /nfs/dbraw/zinc/81/45/94/836814594.db2.gz ABUIYWMFOPBOPX-QGZVFWFLSA-N 1 2 384.382 3.569 20 30 GHEDLO C#CC[N@H+](CC(=O)Nc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CCc2ccccc21 ZINC001167178436 836814599 /nfs/dbraw/zinc/81/45/99/836814599.db2.gz ABUIYWMFOPBOPX-QGZVFWFLSA-N 1 2 384.382 3.569 20 30 GHEDLO COC1(C(F)(F)F)CC[NH+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000419349736 844207250 /nfs/dbraw/zinc/20/72/50/844207250.db2.gz MYJVSBYAOVLLRM-NSHDSACASA-N 1 2 389.805 3.582 20 30 GHEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3coc(-c4c(F)cccc4F)n3)C2)nc1 ZINC000580028282 837205097 /nfs/dbraw/zinc/20/50/97/837205097.db2.gz DBBDXULGMJQROT-HNNXBMFYSA-N 1 2 382.370 3.540 20 30 GHEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3coc(-c4c(F)cccc4F)n3)C2)nc1 ZINC000580028282 837205107 /nfs/dbraw/zinc/20/51/07/837205107.db2.gz DBBDXULGMJQROT-HNNXBMFYSA-N 1 2 382.370 3.540 20 30 GHEDLO Cc1cc(C(=O)NCC[NH+]2Cc3ccccc3C2)c(C)n1-c1ccc(C#N)cc1 ZINC000728271026 838366757 /nfs/dbraw/zinc/36/67/57/838366757.db2.gz SSVNVLBGZWRIBQ-UHFFFAOYSA-N 1 2 384.483 3.711 20 30 GHEDLO N#Cc1cccc(OCc2cccc(C(=O)N3CCC(c4c[nH]c[nH+]4)CC3)c2)c1 ZINC000378073770 838385302 /nfs/dbraw/zinc/38/53/02/838385302.db2.gz HZJKFAPKIUPRJK-UHFFFAOYSA-N 1 2 386.455 3.880 20 30 GHEDLO N#Cc1cccc(OCc2cccc(C(=O)N3CCC(c4c[nH+]c[nH]4)CC3)c2)c1 ZINC000378073770 838385312 /nfs/dbraw/zinc/38/53/12/838385312.db2.gz HZJKFAPKIUPRJK-UHFFFAOYSA-N 1 2 386.455 3.880 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c(Br)c1 ZINC000376595983 838417212 /nfs/dbraw/zinc/41/72/12/838417212.db2.gz RZJSDYHDFGJOIQ-UHFFFAOYSA-N 1 2 381.277 3.773 20 30 GHEDLO Cc1cc(C)c(NC(=O)CO[NH+]=C(N)c2ccc(Br)cc2)c(C)c1 ZINC000782948593 838496584 /nfs/dbraw/zinc/49/65/84/838496584.db2.gz MCDAXFOZPCVUFD-UHFFFAOYSA-N 1 2 390.281 3.650 20 30 GHEDLO N#Cc1ccc(NC(=O)C[NH2+][C@H](c2ccccc2)c2ccccn2)cc1Cl ZINC000025418252 844417251 /nfs/dbraw/zinc/41/72/51/844417251.db2.gz JIJXJWRVSGHIBM-OAQYLSRUSA-N 1 2 376.847 3.924 20 30 GHEDLO COC(=O)c1cccc(C[N@H+](CCc2ccccc2)Cc2cccnc2)c1C#N ZINC000580612470 839899805 /nfs/dbraw/zinc/89/98/05/839899805.db2.gz OTPKVYGTIJMTPM-UHFFFAOYSA-N 1 2 385.467 3.985 20 30 GHEDLO COC(=O)c1cccc(C[N@@H+](CCc2ccccc2)Cc2cccnc2)c1C#N ZINC000580612470 839899812 /nfs/dbraw/zinc/89/98/12/839899812.db2.gz OTPKVYGTIJMTPM-UHFFFAOYSA-N 1 2 385.467 3.985 20 30 GHEDLO CSc1nc(C2CC2)cc(C(=O)N2CC[NH+](Cc3cccs3)CC2)c1C#N ZINC000053688550 840284670 /nfs/dbraw/zinc/28/46/70/840284670.db2.gz JRPGKKFLEHICRC-UHFFFAOYSA-N 1 2 398.557 3.572 20 30 GHEDLO C[N@@H+](Cc1ccc(F)cc1C#N)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000511598584 840366887 /nfs/dbraw/zinc/36/68/87/840366887.db2.gz LPQUOCDCKVWLEK-QGZVFWFLSA-N 1 2 382.357 3.588 20 30 GHEDLO C[N@H+](Cc1ccc(F)cc1C#N)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000511598584 840366895 /nfs/dbraw/zinc/36/68/95/840366895.db2.gz LPQUOCDCKVWLEK-QGZVFWFLSA-N 1 2 382.357 3.588 20 30 GHEDLO C[N@H+](Cc1cc(Cl)cc(Cl)c1)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000477058561 841015814 /nfs/dbraw/zinc/01/58/14/841015814.db2.gz AOBRDDQSQJXNFP-QGZVFWFLSA-N 1 2 388.254 3.629 20 30 GHEDLO C[N@@H+](Cc1cc(Cl)cc(Cl)c1)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000477058561 841015824 /nfs/dbraw/zinc/01/58/24/841015824.db2.gz AOBRDDQSQJXNFP-QGZVFWFLSA-N 1 2 388.254 3.629 20 30 GHEDLO COCCn1cc(C[N@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cn1 ZINC000510412882 841261150 /nfs/dbraw/zinc/26/11/50/841261150.db2.gz LLQJJEWIDQZDEI-UHFFFAOYSA-N 1 2 378.451 3.743 20 30 GHEDLO COCCn1cc(C[N@@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cn1 ZINC000510412882 841261154 /nfs/dbraw/zinc/26/11/54/841261154.db2.gz LLQJJEWIDQZDEI-UHFFFAOYSA-N 1 2 378.451 3.743 20 30 GHEDLO CCCCCOc1cc(C[NH+]2CCN(c3cnccc3C#N)CC2)ccc1OC ZINC000569066383 842008447 /nfs/dbraw/zinc/00/84/47/842008447.db2.gz ANWBNOXWSSOMCI-UHFFFAOYSA-N 1 2 394.519 3.853 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[C@H](C(C)(C)C)[C@H](O)C3)n2)C1 ZINC000329404334 861377785 /nfs/dbraw/zinc/37/77/85/861377785.db2.gz CHWBDUCQRAIZJM-HYVNUMGLSA-N 1 2 394.585 3.649 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[C@H](C(C)(C)C)[C@H](O)C3)n2)C1 ZINC000329404334 861377800 /nfs/dbraw/zinc/37/78/00/861377800.db2.gz CHWBDUCQRAIZJM-HYVNUMGLSA-N 1 2 394.585 3.649 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000512224220 843150745 /nfs/dbraw/zinc/15/07/45/843150745.db2.gz AGCYERGQNCSGBX-APWZRJJASA-N 1 2 388.533 3.964 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000512224220 843150751 /nfs/dbraw/zinc/15/07/51/843150751.db2.gz AGCYERGQNCSGBX-APWZRJJASA-N 1 2 388.533 3.964 20 30 GHEDLO N#Cc1ccccc1OCc1cccc(C(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000178349589 843225019 /nfs/dbraw/zinc/22/50/19/843225019.db2.gz UTMWWSBKWFAMHP-UHFFFAOYSA-N 1 2 382.423 3.715 20 30 GHEDLO N#Cc1cc(Cl)ccc1SCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000610655250 843413036 /nfs/dbraw/zinc/41/30/36/843413036.db2.gz WRAMEVYHOGIVBJ-UHFFFAOYSA-N 1 2 385.920 3.648 20 30 GHEDLO CC(C)(C)OC(=O)Nc1ccsc1C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000893596758 843500532 /nfs/dbraw/zinc/50/05/32/843500532.db2.gz DINUUIURJSMPRH-UHFFFAOYSA-N 1 2 399.520 3.684 20 30 GHEDLO N#Cc1ccc(CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)c(F)c1 ZINC000178382042 843524246 /nfs/dbraw/zinc/52/42/46/843524246.db2.gz YUAQRWHFENVCSA-NHCUHLMSSA-N 1 2 389.434 3.622 20 30 GHEDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1cc(C#N)ccc1Cl ZINC000510832245 843598060 /nfs/dbraw/zinc/59/80/60/843598060.db2.gz XERSMYXTJNVMIN-KRWDZBQOSA-N 1 2 397.906 3.575 20 30 GHEDLO C[C@@H](c1cccc(NC(=O)N2CCC[C@@H]2C2CCOCC2)c1)[NH+]1CCOCC1 ZINC000329452191 861457092 /nfs/dbraw/zinc/45/70/92/861457092.db2.gz LTYBLRUVIACHKX-LAUBAEHRSA-N 1 2 387.524 3.516 20 30 GHEDLO C=CCNC(=O)C[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1F ZINC000181162573 844819740 /nfs/dbraw/zinc/81/97/40/844819740.db2.gz MTRJOXFUIZWTPI-SFHVURJKSA-N 1 2 377.257 3.569 20 30 GHEDLO N#CCc1cccc2c1CC[N@@H+](CC(=O)Nc1ccc(OC(F)(F)F)cc1)C2 ZINC000599679899 861517528 /nfs/dbraw/zinc/51/75/28/861517528.db2.gz ZRCQOHDKNZUXNO-UHFFFAOYSA-N 1 2 389.377 3.648 20 30 GHEDLO N#CCc1cccc2c1CC[N@H+](CC(=O)Nc1ccc(OC(F)(F)F)cc1)C2 ZINC000599679899 861517557 /nfs/dbraw/zinc/51/75/57/861517557.db2.gz ZRCQOHDKNZUXNO-UHFFFAOYSA-N 1 2 389.377 3.648 20 30 GHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000614235915 845372718 /nfs/dbraw/zinc/37/27/18/845372718.db2.gz PKSVYCMMGIREOC-PGRDOPGGSA-N 1 2 388.471 3.534 20 30 GHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000614235915 845372727 /nfs/dbraw/zinc/37/27/27/845372727.db2.gz PKSVYCMMGIREOC-PGRDOPGGSA-N 1 2 388.471 3.534 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)c(C#N)c1C ZINC000555685986 861582468 /nfs/dbraw/zinc/58/24/68/861582468.db2.gz NNPXDTFSSOMKTP-DYVFJYSZSA-N 1 2 387.867 3.902 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)c(C#N)c1C ZINC000555685986 861582476 /nfs/dbraw/zinc/58/24/76/861582476.db2.gz NNPXDTFSSOMKTP-DYVFJYSZSA-N 1 2 387.867 3.902 20 30 GHEDLO C[C@H](C(=O)Nc1cccc(F)c1)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512805483 845598521 /nfs/dbraw/zinc/59/85/21/845598521.db2.gz HLPAGTWKPZLKME-CQSZACIVSA-N 1 2 385.414 3.707 20 30 GHEDLO CC[C@@]1(CO)CCC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000548630257 845932838 /nfs/dbraw/zinc/93/28/38/845932838.db2.gz UYNHKIDBWRESDP-YCRPNKLZSA-N 1 2 389.565 3.700 20 30 GHEDLO CC[C@@]1(CO)CCC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000548630257 845932848 /nfs/dbraw/zinc/93/28/48/845932848.db2.gz UYNHKIDBWRESDP-YCRPNKLZSA-N 1 2 389.565 3.700 20 30 GHEDLO O=[N+]([O-])c1ccc(O)c(/C=N\CCCOC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000255470877 845948260 /nfs/dbraw/zinc/94/82/60/845948260.db2.gz PTWUBOFGZAXDQI-KQWNVCNZSA-N 1 2 397.475 3.791 20 30 GHEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)Cn1cc(C(=O)OCC)c(C(F)(F)F)n1 ZINC000731495327 861660947 /nfs/dbraw/zinc/66/09/47/861660947.db2.gz ZVSRTOWGGKOHBS-UHFFFAOYSA-N 1 2 394.397 3.820 20 30 GHEDLO CCC[N@H+](Cc1ccc(C#N)cc1)Cn1cc(C(=O)OCC)c(C(F)(F)F)n1 ZINC000731495327 861660952 /nfs/dbraw/zinc/66/09/52/861660952.db2.gz ZVSRTOWGGKOHBS-UHFFFAOYSA-N 1 2 394.397 3.820 20 30 GHEDLO N#Cc1ccccc1OC1CCC(Nc2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC000434097060 846395193 /nfs/dbraw/zinc/39/51/93/846395193.db2.gz CKAOAVBOQGKSEC-UHFFFAOYSA-N 1 2 395.532 3.704 20 30 GHEDLO N#Cc1ccccc1OC1CCC(Nc2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000434097060 846395195 /nfs/dbraw/zinc/39/51/95/846395195.db2.gz CKAOAVBOQGKSEC-UHFFFAOYSA-N 1 2 395.532 3.704 20 30 GHEDLO Cc1ccncc1C[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000501054681 846605943 /nfs/dbraw/zinc/60/59/43/846605943.db2.gz UVKAHDOGJINUSF-IBGZPJMESA-N 1 2 385.309 3.535 20 30 GHEDLO N#Cc1cc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)cnc1C(F)(F)F ZINC000582367236 846968765 /nfs/dbraw/zinc/96/87/65/846968765.db2.gz UWTIYCBYDQVXDL-SHTZXODSSA-N 1 2 389.381 3.520 20 30 GHEDLO C[C@H](c1cccc(NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)c1)[NH+]1CCOCC1 ZINC000511180516 848019732 /nfs/dbraw/zinc/01/97/32/848019732.db2.gz BBVHIDIFOWBQKH-MRXNPFEDSA-N 1 2 393.462 3.761 20 30 GHEDLO C[C@H](NC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)[C@H](C)[NH+]1CCOCC1 ZINC000329117904 848884271 /nfs/dbraw/zinc/88/42/71/848884271.db2.gz UTRITEXPAYUVDV-HOTGVXAUSA-N 1 2 389.496 3.553 20 30 GHEDLO N#Cc1ccc(Oc2ccc(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)cc2)nc1 ZINC000731981409 861995246 /nfs/dbraw/zinc/99/52/46/861995246.db2.gz LLGGSBLJCBLXBG-UHFFFAOYSA-N 1 2 395.422 3.861 20 30 GHEDLO C[N@@H+]1CCO[C@@H]([C@H](Nc2c(C#N)cccc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000425244556 849898266 /nfs/dbraw/zinc/89/82/66/849898266.db2.gz HULLEJMGCHLXSD-IEBWSBKVSA-N 1 2 386.839 3.604 20 30 GHEDLO C[N@H+]1CCO[C@@H]([C@H](Nc2c(C#N)cccc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000425244556 849898274 /nfs/dbraw/zinc/89/82/74/849898274.db2.gz HULLEJMGCHLXSD-IEBWSBKVSA-N 1 2 386.839 3.604 20 30 GHEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(Oc2ccnc3ccccc32)cc1 ZINC000514597584 850041195 /nfs/dbraw/zinc/04/11/95/850041195.db2.gz SOLACLIWNPIHSK-GOSISDBHSA-N 1 2 376.460 3.645 20 30 GHEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(Oc2ccnc3ccccc32)cc1 ZINC000514597584 850041199 /nfs/dbraw/zinc/04/11/99/850041199.db2.gz SOLACLIWNPIHSK-GOSISDBHSA-N 1 2 376.460 3.645 20 30 GHEDLO COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000162785448 862130943 /nfs/dbraw/zinc/13/09/43/862130943.db2.gz KKZMJOKRMWDXIW-UHFFFAOYSA-N 1 2 376.416 3.755 20 30 GHEDLO C[N@H+](CCOCc1ccc(C#N)cc1)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000515090457 850687725 /nfs/dbraw/zinc/68/77/25/850687725.db2.gz ZTKMZUVNIXNWMT-UHFFFAOYSA-N 1 2 392.286 3.952 20 30 GHEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000515090457 850687737 /nfs/dbraw/zinc/68/77/37/850687737.db2.gz ZTKMZUVNIXNWMT-UHFFFAOYSA-N 1 2 392.286 3.952 20 30 GHEDLO C=CCC[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000487580385 850739338 /nfs/dbraw/zinc/73/93/38/850739338.db2.gz AFSVKBBOJZSTNG-DHIUTWEWSA-N 1 2 378.516 3.754 20 30 GHEDLO C=CCC[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000487580385 850739340 /nfs/dbraw/zinc/73/93/40/850739340.db2.gz AFSVKBBOJZSTNG-DHIUTWEWSA-N 1 2 378.516 3.754 20 30 GHEDLO CCOc1ccccc1C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000514116763 851242356 /nfs/dbraw/zinc/24/23/56/851242356.db2.gz LVYRXNDCBCZHIC-GOSISDBHSA-N 1 2 395.503 3.861 20 30 GHEDLO CCOc1ccccc1C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000514116763 851242364 /nfs/dbraw/zinc/24/23/64/851242364.db2.gz LVYRXNDCBCZHIC-GOSISDBHSA-N 1 2 395.503 3.861 20 30 GHEDLO C=CCn1cccc1C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000488559543 851617817 /nfs/dbraw/zinc/61/78/17/851617817.db2.gz AYRKOLUWZFQCBA-UHFFFAOYSA-N 1 2 378.501 3.941 20 30 GHEDLO C=CCn1cccc1C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000488559543 851617826 /nfs/dbraw/zinc/61/78/26/851617826.db2.gz AYRKOLUWZFQCBA-UHFFFAOYSA-N 1 2 378.501 3.941 20 30 GHEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000329733583 862274547 /nfs/dbraw/zinc/27/45/47/862274547.db2.gz JSLQYGXVGDGBQB-PBHICJAKSA-N 1 2 376.913 3.625 20 30 GHEDLO COc1ccc(C[NH+]2CCN(c3ncccc3C#N)CC2)cc1OCCC(C)C ZINC000506245202 852446789 /nfs/dbraw/zinc/44/67/89/852446789.db2.gz KGAVWEQIRKIEQS-UHFFFAOYSA-N 1 2 394.519 3.709 20 30 GHEDLO N#CCC[C@@H]([NH2+]Cc1sc(N2CCOCC2)nc1Cl)c1ccccc1 ZINC000894358338 852590788 /nfs/dbraw/zinc/59/07/88/852590788.db2.gz HLZJWKUXVZJTAV-OAHLLOKOSA-N 1 2 376.913 3.768 20 30 GHEDLO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000490070078 852748950 /nfs/dbraw/zinc/74/89/50/852748950.db2.gz WCLYGIZJGZXOFS-FQEVSTJZSA-N 1 2 385.895 3.906 20 30 GHEDLO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000490070078 852748952 /nfs/dbraw/zinc/74/89/52/852748952.db2.gz WCLYGIZJGZXOFS-FQEVSTJZSA-N 1 2 385.895 3.906 20 30 GHEDLO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)s2)[C@H]1c1ccc(F)c(F)c1 ZINC000490255087 852872123 /nfs/dbraw/zinc/87/21/23/852872123.db2.gz XVSPJGCUECJABS-SJLPKXTDSA-N 1 2 375.444 3.852 20 30 GHEDLO CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)s2)[C@H]1c1ccc(F)c(F)c1 ZINC000490255087 852872126 /nfs/dbraw/zinc/87/21/26/852872126.db2.gz XVSPJGCUECJABS-SJLPKXTDSA-N 1 2 375.444 3.852 20 30 GHEDLO Oc1ccc(Br)cc1/C=N/C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000912961553 852921053 /nfs/dbraw/zinc/92/10/53/852921053.db2.gz BKIZTNIIRIQUNM-LANLRWRYSA-N 1 2 389.293 3.647 20 30 GHEDLO COc1cc(C[N@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc(OC)c1 ZINC000516746109 852966252 /nfs/dbraw/zinc/96/62/52/852966252.db2.gz JASBDVAGNVKCHQ-UHFFFAOYSA-N 1 2 395.503 3.699 20 30 GHEDLO COc1cc(C[N@@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc(OC)c1 ZINC000516746109 852966259 /nfs/dbraw/zinc/96/62/59/852966259.db2.gz JASBDVAGNVKCHQ-UHFFFAOYSA-N 1 2 395.503 3.699 20 30 GHEDLO C=CCOc1ccccc1C[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000506030486 853020124 /nfs/dbraw/zinc/02/01/24/853020124.db2.gz JYSANQDDSJMNBY-UHFFFAOYSA-N 1 2 399.922 3.661 20 30 GHEDLO CC(C)Cc1nnc(NC(=O)C[N@H+](C)Cc2ccccc2C(C)(C)C#N)s1 ZINC000439012591 853200619 /nfs/dbraw/zinc/20/06/19/853200619.db2.gz YAVHNRDUQVCFES-UHFFFAOYSA-N 1 2 385.537 3.608 20 30 GHEDLO CC(C)Cc1nnc(NC(=O)C[N@@H+](C)Cc2ccccc2C(C)(C)C#N)s1 ZINC000439012591 853200628 /nfs/dbraw/zinc/20/06/28/853200628.db2.gz YAVHNRDUQVCFES-UHFFFAOYSA-N 1 2 385.537 3.608 20 30 GHEDLO C=C(C)Cn1c(CC2CC2)nnc1N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000518492350 853405238 /nfs/dbraw/zinc/40/52/38/853405238.db2.gz RLEKCOSYYRRQCY-UHFFFAOYSA-N 1 2 391.972 3.844 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)c2ccc(F)c(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000517191110 853495041 /nfs/dbraw/zinc/49/50/41/853495041.db2.gz OZTNXVHTBNYRHS-ZWKOTPCHSA-N 1 2 375.806 3.665 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)c2ccc(F)c(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000517191110 853495043 /nfs/dbraw/zinc/49/50/43/853495043.db2.gz OZTNXVHTBNYRHS-ZWKOTPCHSA-N 1 2 375.806 3.665 20 30 GHEDLO N#CC1CCC(CNC(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)CC1 ZINC000441002768 853820805 /nfs/dbraw/zinc/82/08/05/853820805.db2.gz WBBCVQASMHFAJS-OFLPRAFFSA-N 1 2 390.478 3.558 20 30 GHEDLO N#CC1CCC(CNC(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)CC1 ZINC000441002768 853820812 /nfs/dbraw/zinc/82/08/12/853820812.db2.gz WBBCVQASMHFAJS-OFLPRAFFSA-N 1 2 390.478 3.558 20 30 GHEDLO N#Cc1cc(Br)ccc1C[NH+]1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000588199230 854212297 /nfs/dbraw/zinc/21/22/97/854212297.db2.gz YYFKVVBDTRGREJ-QZTJIDSGSA-N 1 2 382.305 3.889 20 30 GHEDLO C=CCNC(=O)[C@H](C)N1CC[NH+]([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000588672691 854319575 /nfs/dbraw/zinc/31/95/75/854319575.db2.gz PCAHCROXWJAXOC-AVRDEDQJSA-N 1 2 397.950 3.738 20 30 GHEDLO O=C(N[C@@H]1CCOc2c(Br)cccc21)[C@H]1CCn2c[nH+]cc2C1 ZINC000328657617 854492146 /nfs/dbraw/zinc/49/21/46/854492146.db2.gz PJUJRHIILSGLGQ-XHDPSFHLSA-N 1 2 376.254 3.688 20 30 GHEDLO O=C(Nc1cccc2c1CN(c1nccs1)C2)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000328889585 854598800 /nfs/dbraw/zinc/59/88/00/854598800.db2.gz QSAVWFSWRCZEIS-OAHLLOKOSA-N 1 2 394.504 3.812 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000328952645 854615254 /nfs/dbraw/zinc/61/52/54/854615254.db2.gz CZUSUAQBZOAMIS-DGCLKSJQSA-N 1 2 397.504 3.835 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000328952645 854615257 /nfs/dbraw/zinc/61/52/57/854615257.db2.gz CZUSUAQBZOAMIS-DGCLKSJQSA-N 1 2 397.504 3.835 20 30 GHEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3C[C@@H](C)S(=O)[C@H](C)C3)sc2C1 ZINC000330133489 862602580 /nfs/dbraw/zinc/60/25/80/862602580.db2.gz RESDCMCOUFTOPR-MGPQQGTHSA-N 1 2 393.578 3.564 20 30 GHEDLO C[C@@H]1C[N@H+](CC(=O)NCCc2ccc(C(C)(C)C)cc2)C[C@@]2(CCCOC2)O1 ZINC000330142626 862610452 /nfs/dbraw/zinc/61/04/52/862610452.db2.gz YLFINPADVGUMGS-WZONZLPQSA-N 1 2 388.552 3.753 20 30 GHEDLO C[C@@H]1C[N@@H+](CC(=O)NCCc2ccc(C(C)(C)C)cc2)C[C@@]2(CCCOC2)O1 ZINC000330142626 862610455 /nfs/dbraw/zinc/61/04/55/862610455.db2.gz YLFINPADVGUMGS-WZONZLPQSA-N 1 2 388.552 3.753 20 30 GHEDLO C[C@@H]1CCN(C(=O)Nc2cnn(-c3ccc(Cl)cc3)c2)C[C@H]1n1cc[nH+]c1 ZINC000330147302 862614142 /nfs/dbraw/zinc/61/41/42/862614142.db2.gz INHUXBVUBXPMQU-RDTXWAMCSA-N 1 2 384.871 3.851 20 30 GHEDLO C[C@@H]1CCN(C([O-])=[NH+]c2cnn(-c3ccc(Cl)cc3)c2)C[C@H]1n1cc[nH+]c1 ZINC000330147302 862614152 /nfs/dbraw/zinc/61/41/52/862614152.db2.gz INHUXBVUBXPMQU-RDTXWAMCSA-N 1 2 384.871 3.851 20 30 GHEDLO COc1c(Cl)cccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000056755523 854969733 /nfs/dbraw/zinc/96/97/33/854969733.db2.gz KUQBMTWHOGYSRJ-UHFFFAOYSA-N 1 2 384.867 3.570 20 30 GHEDLO Cc1ccc(C(=O)C2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCCCC3)CC2)cc1 ZINC000054297874 855229986 /nfs/dbraw/zinc/22/99/86/855229986.db2.gz OYARWMCOHMJQQT-GOSISDBHSA-N 1 2 381.520 3.621 20 30 GHEDLO CCOc1ccc(C#N)cc1NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000056598786 855596166 /nfs/dbraw/zinc/59/61/66/855596166.db2.gz VHVNTXIRENWVFE-UHFFFAOYSA-N 1 2 389.459 3.566 20 30 GHEDLO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000056626160 855610934 /nfs/dbraw/zinc/61/09/34/855610934.db2.gz HMEUZJPORAPRCE-KRWDZBQOSA-N 1 2 394.475 3.501 20 30 GHEDLO N#Cc1ccc(C(F)(F)F)nc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000301271977 855652955 /nfs/dbraw/zinc/65/29/55/855652955.db2.gz HUNYOLHWDVFXGL-UHFFFAOYSA-N 1 2 380.801 3.948 20 30 GHEDLO O=C(NCC1([NH+]2CCOCC2)CCCCC1)Nc1ccc2c(c1)C(=O)CCC2 ZINC000330277481 862714564 /nfs/dbraw/zinc/71/45/64/862714564.db2.gz OIBRQZSESBHXSE-UHFFFAOYSA-N 1 2 385.508 3.567 20 30 GHEDLO COc1ccc([C@H](CNc2ccc3cc(C#N)ccc3n2)[NH+]2CCOCC2)cc1 ZINC000301824029 855763500 /nfs/dbraw/zinc/76/35/00/855763500.db2.gz NNDSYMVROPEQSK-QFIPXVFZSA-N 1 2 388.471 3.600 20 30 GHEDLO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000554222181 855859025 /nfs/dbraw/zinc/85/90/25/855859025.db2.gz FQQYTSBOWGHRES-ZBFHGGJFSA-N 1 2 392.341 3.838 20 30 GHEDLO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000554222181 855859035 /nfs/dbraw/zinc/85/90/35/855859035.db2.gz FQQYTSBOWGHRES-ZBFHGGJFSA-N 1 2 392.341 3.838 20 30 GHEDLO N#Cc1ccsc1C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000485320844 856341351 /nfs/dbraw/zinc/34/13/51/856341351.db2.gz ZVRDJHTWJLSHCI-UHFFFAOYSA-N 1 2 376.445 3.509 20 30 GHEDLO N#C[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(Br)cc1 ZINC000499383207 856452620 /nfs/dbraw/zinc/45/26/20/856452620.db2.gz NNFFKCNCHGREDX-GOSISDBHSA-N 1 2 395.260 3.689 20 30 GHEDLO COc1ccccc1OCCO[NH+]=C(N)c1ccc(OCc2ccccc2)cc1 ZINC000733305473 862849714 /nfs/dbraw/zinc/84/97/14/862849714.db2.gz VDWOQJZVHKQORG-UHFFFAOYSA-N 1 2 392.455 3.990 20 30 GHEDLO COc1cccc(F)c1[C@H](C)[NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000174221659 857228304 /nfs/dbraw/zinc/22/83/04/857228304.db2.gz LFYCYFCXLPFXAY-NWDGAFQWSA-N 1 2 387.480 3.934 20 30 GHEDLO CC[C@H](C#N)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000593406334 857549584 /nfs/dbraw/zinc/54/95/84/857549584.db2.gz ASKCFBMBGRLEQL-OAHLLOKOSA-N 1 2 398.488 3.517 20 30 GHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000109103689 857753805 /nfs/dbraw/zinc/75/38/05/857753805.db2.gz UBVMHPNLQVAOIV-QHCPKHFHSA-N 1 2 392.478 3.754 20 30 GHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000109103689 857753812 /nfs/dbraw/zinc/75/38/12/857753812.db2.gz UBVMHPNLQVAOIV-QHCPKHFHSA-N 1 2 392.478 3.754 20 30 GHEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3ccc(F)cc3Br)C2)CC1 ZINC001137543936 857978031 /nfs/dbraw/zinc/97/80/31/857978031.db2.gz BJEYPWAAMNIPKK-UHFFFAOYSA-N 1 2 397.288 3.809 20 30 GHEDLO COC(=O)c1cccc(C[NH2+][C@@H](CC(=O)OC(C)C)c2ccc(C)cc2)c1C#N ZINC000543061033 858136372 /nfs/dbraw/zinc/13/63/72/858136372.db2.gz DAZYTMWNKNMZQQ-NRFANRHFSA-N 1 2 394.471 3.826 20 30 GHEDLO COc1cc(C[N@H+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1C#N ZINC000442803403 858144265 /nfs/dbraw/zinc/14/42/65/858144265.db2.gz TWRQNXUMQPWWCE-UHFFFAOYSA-N 1 2 378.259 3.944 20 30 GHEDLO COc1cc(C[N@@H+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1C#N ZINC000442803403 858144270 /nfs/dbraw/zinc/14/42/70/858144270.db2.gz TWRQNXUMQPWWCE-UHFFFAOYSA-N 1 2 378.259 3.944 20 30 GHEDLO Cn1nccc1[C@H]1CCCC[N@@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000281413284 863004851 /nfs/dbraw/zinc/00/48/51/863004851.db2.gz OGGRJROKQMUGHU-OAQYLSRUSA-N 1 2 375.476 3.698 20 30 GHEDLO Cn1nccc1[C@H]1CCCC[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000281413284 863004869 /nfs/dbraw/zinc/00/48/69/863004869.db2.gz OGGRJROKQMUGHU-OAQYLSRUSA-N 1 2 375.476 3.698 20 30 GHEDLO N#CC[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)C1 ZINC000594661005 858258595 /nfs/dbraw/zinc/25/85/95/858258595.db2.gz UZTKJBJBRWVIJR-ABAIWWIYSA-N 1 2 399.800 3.616 20 30 GHEDLO N#CC[C@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)C1 ZINC000594661005 858258605 /nfs/dbraw/zinc/25/86/05/858258605.db2.gz UZTKJBJBRWVIJR-ABAIWWIYSA-N 1 2 399.800 3.616 20 30 GHEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@H](c3ccccc3F)C2)cc1Cl ZINC000066846299 858318447 /nfs/dbraw/zinc/31/84/47/858318447.db2.gz YZNVGTHJVNQMQQ-IBGZPJMESA-N 1 2 387.842 3.753 20 30 GHEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@H](c3ccccc3F)C2)cc1Cl ZINC000066846299 858318460 /nfs/dbraw/zinc/31/84/60/858318460.db2.gz YZNVGTHJVNQMQQ-IBGZPJMESA-N 1 2 387.842 3.753 20 30 GHEDLO Cn1c[nH+]cc1[C@H]1C[C@H](NC(=O)Nc2ccc(OC3CCC3)c(F)c2)CCO1 ZINC000330348260 863031889 /nfs/dbraw/zinc/03/18/89/863031889.db2.gz IOFBEPMBEPWEAW-AUUYWEPGSA-N 1 2 388.443 3.546 20 30 GHEDLO Cc1oc(NC(=O)C[NH+]2CCC(Cc3nc4ccccc4[nH]3)CC2)c(C#N)c1C ZINC000595551835 858563890 /nfs/dbraw/zinc/56/38/90/858563890.db2.gz LNRYKZCWFQRPDM-UHFFFAOYSA-N 1 2 391.475 3.538 20 30 GHEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC000595621664 858620289 /nfs/dbraw/zinc/62/02/89/858620289.db2.gz XFJYNMIXBVYAKR-QGZVFWFLSA-N 1 2 380.517 3.938 20 30 GHEDLO N#CC[C@H]1CCC[N@H+](CC(=O)Nc2cccc(CSc3ccccn3)c2)C1 ZINC000595621664 858620300 /nfs/dbraw/zinc/62/03/00/858620300.db2.gz XFJYNMIXBVYAKR-QGZVFWFLSA-N 1 2 380.517 3.938 20 30 GHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@H](C)c2cscn2)c1C#N ZINC000595669766 858642586 /nfs/dbraw/zinc/64/25/86/858642586.db2.gz ZSFKSSATTZUYBG-CQSZACIVSA-N 1 2 379.489 3.712 20 30 GHEDLO CCc1ccc(-c2noc(C[NH2+]C3(c4cccc(C#N)c4)CCOCC3)n2)cc1 ZINC000595774735 858683410 /nfs/dbraw/zinc/68/34/10/858683410.db2.gz QYGKIYGXBYUYIY-UHFFFAOYSA-N 1 2 388.471 3.966 20 30 GHEDLO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC3(CCc4ccccc4O3)CC2)C1=O ZINC000595829477 858701235 /nfs/dbraw/zinc/70/12/35/858701235.db2.gz UPBODPIEWGKEQM-GOSISDBHSA-N 1 2 393.512 3.585 20 30 GHEDLO Cc1nnc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)s1 ZINC000595885283 858706520 /nfs/dbraw/zinc/70/65/20/858706520.db2.gz LSYTULHBTQIOCB-UHFFFAOYSA-N 1 2 389.550 3.509 20 30 GHEDLO Cc1nnc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)s1 ZINC000595885283 858706525 /nfs/dbraw/zinc/70/65/25/858706525.db2.gz LSYTULHBTQIOCB-UHFFFAOYSA-N 1 2 389.550 3.509 20 30 GHEDLO COC[C@H]([NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N)c1ccc(C)o1 ZINC000184668256 858978491 /nfs/dbraw/zinc/97/84/91/858978491.db2.gz LLEGCZCNCWGNPG-RDJZCZTQSA-N 1 2 387.505 3.898 20 30 GHEDLO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000668219476 859207165 /nfs/dbraw/zinc/20/71/65/859207165.db2.gz NLMLFBOQDATWTI-OLZOCXBDSA-N 1 2 391.103 3.740 20 30 GHEDLO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000597120067 859296174 /nfs/dbraw/zinc/29/61/74/859296174.db2.gz CLEHPQGOLZITHT-WOJBJXKFSA-N 1 2 386.455 3.921 20 30 GHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CC[C@H](C(F)F)C2)c1C#N ZINC000611180064 859634259 /nfs/dbraw/zinc/63/42/59/859634259.db2.gz QWGQMCVMMNUFBJ-KRWDZBQOSA-N 1 2 386.446 3.550 20 30 GHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CC[C@H](C(F)F)C2)c1C#N ZINC000611180064 859634263 /nfs/dbraw/zinc/63/42/63/859634263.db2.gz QWGQMCVMMNUFBJ-KRWDZBQOSA-N 1 2 386.446 3.550 20 30 GHEDLO CCC(CC)C(=O)N1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000611254832 859667438 /nfs/dbraw/zinc/66/74/38/859667438.db2.gz DIYQKEWCARLSML-UHFFFAOYSA-N 1 2 393.535 3.544 20 30 GHEDLO N#Cc1cccc(COc2cccc(C[N@@H+]3CCc4ccccc4[C@H]3C(N)=O)c2)c1 ZINC000611266492 859673896 /nfs/dbraw/zinc/67/38/96/859673896.db2.gz GXXGJCAYGWASKQ-DEOSSOPVSA-N 1 2 397.478 3.722 20 30 GHEDLO N#Cc1cccc(COc2cccc(C[N@H+]3CCc4ccccc4[C@H]3C(N)=O)c2)c1 ZINC000611266492 859673897 /nfs/dbraw/zinc/67/38/97/859673897.db2.gz GXXGJCAYGWASKQ-DEOSSOPVSA-N 1 2 397.478 3.722 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)N2Cc3cccc(C#N)c3C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000593383940 859695200 /nfs/dbraw/zinc/69/52/00/859695200.db2.gz CDESZZVSFFZFTE-PMACEKPBSA-N 1 2 398.869 3.821 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)N2Cc3cccc(C#N)c3C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000593383940 859695206 /nfs/dbraw/zinc/69/52/06/859695206.db2.gz CDESZZVSFFZFTE-PMACEKPBSA-N 1 2 398.869 3.821 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)cc1 ZINC000602090978 859764813 /nfs/dbraw/zinc/76/48/13/859764813.db2.gz GKSFATZZVONIFE-MRXNPFEDSA-N 1 2 380.370 3.722 20 30 GHEDLO Cc1cc(C)n(-c2ccc(CN3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc2)n1 ZINC000611500434 859786574 /nfs/dbraw/zinc/78/65/74/859786574.db2.gz FTEMFFAZGDOIKF-UHFFFAOYSA-N 1 2 385.515 3.679 20 30 GHEDLO COc1cc(C[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)ccc1SC ZINC000611552055 859808790 /nfs/dbraw/zinc/80/87/90/859808790.db2.gz NULVHJJJMDMIIV-LJQANCHMSA-N 1 2 385.508 3.939 20 30 GHEDLO COC[C@H]([NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccco1 ZINC000543486826 859920098 /nfs/dbraw/zinc/92/00/98/859920098.db2.gz DEINZUQNHFXENR-CJNGLKHVSA-N 1 2 387.505 3.786 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC([C@H]3CCCCCN3C(C)=O)CC2)c1C ZINC000597984857 859985936 /nfs/dbraw/zinc/98/59/36/859985936.db2.gz ZXHVTLIAWSAAPX-HSZRJFAPSA-N 1 2 399.579 3.977 20 30 GHEDLO C#Cc1cccc(NC(=S)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)c1 ZINC000765521702 860061056 /nfs/dbraw/zinc/06/10/56/860061056.db2.gz SWBSELJDHSJKAH-WOJBJXKFSA-N 1 2 399.947 3.680 20 30 GHEDLO C#Cc1cccc(NC(=S)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000765521702 860061069 /nfs/dbraw/zinc/06/10/69/860061069.db2.gz SWBSELJDHSJKAH-WOJBJXKFSA-N 1 2 399.947 3.680 20 30 GHEDLO C#CCC[NH+]1CCN(C(=O)[C@H](Sc2ccc(F)cc2)c2ccccc2)CC1 ZINC000730217337 860943902 /nfs/dbraw/zinc/94/39/02/860943902.db2.gz JJPXYVJDEISUAN-OAQYLSRUSA-N 1 2 382.504 3.827 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](CC(=O)c3c[nH]c4ccc(F)cc43)CC2)cc1 ZINC000625136344 861002722 /nfs/dbraw/zinc/00/27/22/861002722.db2.gz KNMKSQHDKHHSLL-UHFFFAOYSA-N 1 2 377.419 3.905 20 30 GHEDLO Cc1cc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)ncc1Br ZINC000600110795 861009659 /nfs/dbraw/zinc/00/96/59/861009659.db2.gz FAVWXBXHLAICBL-UHFFFAOYSA-N 1 2 385.309 3.737 20 30 GHEDLO Cc1cc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)ncc1Br ZINC000600110795 861009668 /nfs/dbraw/zinc/00/96/68/861009668.db2.gz FAVWXBXHLAICBL-UHFFFAOYSA-N 1 2 385.309 3.737 20 30 GHEDLO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000554215573 863907876 /nfs/dbraw/zinc/90/78/76/863907876.db2.gz QOEGBABPEFDULQ-ZBFHGGJFSA-N 1 2 392.341 3.838 20 30 GHEDLO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000554215573 863907891 /nfs/dbraw/zinc/90/78/91/863907891.db2.gz QOEGBABPEFDULQ-ZBFHGGJFSA-N 1 2 392.341 3.838 20 30 GHEDLO CCc1ncc(C[N@@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)cn1 ZINC000897053942 864368814 /nfs/dbraw/zinc/36/88/14/864368814.db2.gz DKKBWLFAKZQAMZ-AOOOYVTPSA-N 1 2 389.290 3.642 20 30 GHEDLO CCc1ncc(C[N@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)cn1 ZINC000897053942 864368832 /nfs/dbraw/zinc/36/88/32/864368832.db2.gz DKKBWLFAKZQAMZ-AOOOYVTPSA-N 1 2 389.290 3.642 20 30 GHEDLO COc1ncc(C[NH+]2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)s1 ZINC000897053983 864369279 /nfs/dbraw/zinc/36/92/79/864369279.db2.gz GAGHAKNWXHASBE-HTQZYQBOSA-N 1 2 396.303 3.755 20 30 GHEDLO Cc1n[nH]c(C[N@@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c1C ZINC000897056581 864373620 /nfs/dbraw/zinc/37/36/20/864373620.db2.gz VLKONGYFFRMLLN-DTORHVGOSA-N 1 2 377.279 3.629 20 30 GHEDLO Cc1n[nH]c(C[N@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c1C ZINC000897056581 864373638 /nfs/dbraw/zinc/37/36/38/864373638.db2.gz VLKONGYFFRMLLN-DTORHVGOSA-N 1 2 377.279 3.629 20 30 GHEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000567311591 864388479 /nfs/dbraw/zinc/38/84/79/864388479.db2.gz KMROLLOSPPTSKU-IWQZZHSRSA-N 1 2 396.397 3.920 20 30 GHEDLO CCCn1nc(C)c(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c1C ZINC000475340007 864815655 /nfs/dbraw/zinc/81/56/55/864815655.db2.gz ZVCVAQBSFJWMEW-NRFANRHFSA-N 1 2 385.943 3.946 20 30 GHEDLO CCc1ccc([C@@H](C#N)NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)cc1 ZINC000554790461 864916043 /nfs/dbraw/zinc/91/60/43/864916043.db2.gz SCEOWUKLKOHNDH-NHCUHLMSSA-N 1 2 379.529 3.720 20 30 GHEDLO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)o1 ZINC000184782181 864924663 /nfs/dbraw/zinc/92/46/63/864924663.db2.gz MCZXCVJNSVAWLR-BLLLJJGKSA-N 1 2 387.505 3.568 20 30 GHEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000594334136 865873535 /nfs/dbraw/zinc/87/35/35/865873535.db2.gz ZZYBXBJSWFWKEZ-PUCZYUMASA-N 1 2 383.442 3.577 20 30 GHEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000594334136 865873547 /nfs/dbraw/zinc/87/35/47/865873547.db2.gz ZZYBXBJSWFWKEZ-PUCZYUMASA-N 1 2 383.442 3.577 20 30 GHEDLO C[C@@H](CSCc1ccccc1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000440094375 865950156 /nfs/dbraw/zinc/95/01/56/865950156.db2.gz AJYDURCFZCCRJH-IBGZPJMESA-N 1 2 393.556 3.772 20 30 GHEDLO CN(CCC#N)C(=O)CC[NH2+]C1(c2noc(C3CCCC3)n2)CCCCCC1 ZINC000542626358 866515221 /nfs/dbraw/zinc/51/52/21/866515221.db2.gz MPTKDMBOQRVUFT-UHFFFAOYSA-N 1 2 387.528 3.628 20 30 GHEDLO Cc1nc(C[NH+]2CCC(C(=O)OCC#Cc3cccc(F)c3F)CC2)cs1 ZINC000857071714 881985372 /nfs/dbraw/zinc/98/53/72/881985372.db2.gz PQMXECVDGUMHAL-UHFFFAOYSA-N 1 2 390.455 3.537 20 30 GHEDLO COC(=O)c1cccc(CNc2cccc3c2CN(c2cccc[nH+]2)C3)c1C#N ZINC000534336070 866608752 /nfs/dbraw/zinc/60/87/52/866608752.db2.gz BBSSTUOWCNCLCC-UHFFFAOYSA-N 1 2 384.439 3.872 20 30 GHEDLO CCc1ccc(C[NH+]2CCN(C(=O)N[C@H](C)c3ccc(C#N)cc3)CC2)s1 ZINC000610013850 866616198 /nfs/dbraw/zinc/61/61/98/866616198.db2.gz HEWHQZGOWQGCER-MRXNPFEDSA-N 1 2 382.533 3.771 20 30 GHEDLO N#Cc1cnc(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)c(Cl)c1 ZINC000534555981 867044671 /nfs/dbraw/zinc/04/46/71/867044671.db2.gz OIFFOXOFOSMVGK-UHFFFAOYSA-N 1 2 375.819 3.774 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444687313 867066009 /nfs/dbraw/zinc/06/60/09/867066009.db2.gz ALTDBYJCPMDBOF-NSHDSACASA-N 1 2 375.444 3.846 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444687313 867066020 /nfs/dbraw/zinc/06/60/20/867066020.db2.gz ALTDBYJCPMDBOF-NSHDSACASA-N 1 2 375.444 3.846 20 30 GHEDLO N#Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CC=C(c4cccc(Cl)c4)CC3)C2=O)cc1 ZINC000479176444 867284892 /nfs/dbraw/zinc/28/48/92/867284892.db2.gz CTDUNMPPPBTKLQ-FQEVSTJZSA-N 1 2 391.858 3.633 20 30 GHEDLO N#Cc1ccc(N2C(=O)C[C@H]([N@H+]3CC=C(c4cccc(Cl)c4)CC3)C2=O)cc1 ZINC000479176444 867284912 /nfs/dbraw/zinc/28/49/12/867284912.db2.gz CTDUNMPPPBTKLQ-FQEVSTJZSA-N 1 2 391.858 3.633 20 30 GHEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000553452060 867442708 /nfs/dbraw/zinc/44/27/08/867442708.db2.gz FUSNNRLUHGJHDM-UHFFFAOYSA-N 1 2 391.519 3.856 20 30 GHEDLO CC(C)[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000535151472 868283899 /nfs/dbraw/zinc/28/38/99/868283899.db2.gz XEFUXSKHTQBXQA-JOCHJYFZSA-N 1 2 379.479 3.781 20 30 GHEDLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000535280235 868513505 /nfs/dbraw/zinc/51/35/05/868513505.db2.gz JFUYEMCPFCVMKQ-OAQYLSRUSA-N 1 2 387.439 3.647 20 30 GHEDLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000535280235 868513518 /nfs/dbraw/zinc/51/35/18/868513518.db2.gz JFUYEMCPFCVMKQ-OAQYLSRUSA-N 1 2 387.439 3.647 20 30 GHEDLO C=C[C@](C)(CC)C(=O)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000190729043 882255659 /nfs/dbraw/zinc/25/56/59/882255659.db2.gz NGYDHBCBPRNGTL-HSZRJFAPSA-N 1 2 396.510 3.766 20 30 GHEDLO Cc1cccc(-n2ccn(C[N@@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)c2=S)c1 ZINC000793589918 882295184 /nfs/dbraw/zinc/29/51/84/882295184.db2.gz JBOMVGGBFWKLBN-IBGZPJMESA-N 1 2 391.500 3.694 20 30 GHEDLO Cc1cccc(-n2ccn(C[N@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)c2=S)c1 ZINC000793589918 882295194 /nfs/dbraw/zinc/29/51/94/882295194.db2.gz JBOMVGGBFWKLBN-IBGZPJMESA-N 1 2 391.500 3.694 20 30 GHEDLO C=CC[C@@H](NC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)c1ccncc1 ZINC000745828790 869851113 /nfs/dbraw/zinc/85/11/13/869851113.db2.gz VUMMOBKCHKOPKG-JOCHJYFZSA-N 1 2 393.535 3.733 20 30 GHEDLO Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000539829291 869865325 /nfs/dbraw/zinc/86/53/25/869865325.db2.gz MOSWOMGHZRTYNZ-SJLPKXTDSA-N 1 2 392.425 3.941 20 30 GHEDLO Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000539829291 869865328 /nfs/dbraw/zinc/86/53/28/869865328.db2.gz MOSWOMGHZRTYNZ-SJLPKXTDSA-N 1 2 392.425 3.941 20 30 GHEDLO C[C@H](CC#N)N(C)Cc1cc(Br)ccc1C[N@H+](C)[C@@H](C)CC#N ZINC000249303810 870808948 /nfs/dbraw/zinc/80/89/48/870808948.db2.gz MKGIXIXYDVYFQN-LSDHHAIUSA-N 1 2 377.330 3.917 20 30 GHEDLO C[C@H](CC#N)N(C)Cc1cc(Br)ccc1C[N@@H+](C)[C@@H](C)CC#N ZINC000249303810 870808956 /nfs/dbraw/zinc/80/89/56/870808956.db2.gz MKGIXIXYDVYFQN-LSDHHAIUSA-N 1 2 377.330 3.917 20 30 GHEDLO C[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)c1cccc(C#N)c1 ZINC000462073142 871571188 /nfs/dbraw/zinc/57/11/88/871571188.db2.gz WDCTWIVQPFQQJK-MAUKXSAKSA-N 1 2 383.442 3.721 20 30 GHEDLO C[C@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)c1cccc(C#N)c1 ZINC000462073142 871571195 /nfs/dbraw/zinc/57/11/95/871571195.db2.gz WDCTWIVQPFQQJK-MAUKXSAKSA-N 1 2 383.442 3.721 20 30 GHEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC001194468390 871708274 /nfs/dbraw/zinc/70/82/74/871708274.db2.gz YKRRGYLECUTBLW-SIXWZSSISA-N 1 2 392.341 3.681 20 30 GHEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC001194468390 871708281 /nfs/dbraw/zinc/70/82/81/871708281.db2.gz YKRRGYLECUTBLW-SIXWZSSISA-N 1 2 392.341 3.681 20 30 GHEDLO CCCCCCCCCCOC(=O)N[C@@H](CCc1cn(C)c[nH+]1)C(=O)OC ZINC001194928967 872036058 /nfs/dbraw/zinc/03/60/58/872036058.db2.gz JJGOKHFQJFZLFJ-SFHVURJKSA-N 1 2 381.517 3.761 20 30 GHEDLO C[N@H+](Cc1cc(Br)cc(Br)c1N)CC(C)(C)C#N ZINC000552316811 872472700 /nfs/dbraw/zinc/47/27/00/872472700.db2.gz NIRQXSMPVOEADT-UHFFFAOYSA-N 1 2 375.108 3.775 20 30 GHEDLO C[N@@H+](Cc1cc(Br)cc(Br)c1N)CC(C)(C)C#N ZINC000552316811 872472710 /nfs/dbraw/zinc/47/27/10/872472710.db2.gz NIRQXSMPVOEADT-UHFFFAOYSA-N 1 2 375.108 3.775 20 30 GHEDLO COc1ccc(Cl)c2c1CCC[C@H]2[N@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC001195728046 872580059 /nfs/dbraw/zinc/58/00/59/872580059.db2.gz AGBYFPCBACYMLX-LJQANCHMSA-N 1 2 397.906 3.846 20 30 GHEDLO COc1ccc(Cl)c2c1CCC[C@H]2[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC001195728046 872580066 /nfs/dbraw/zinc/58/00/66/872580066.db2.gz AGBYFPCBACYMLX-LJQANCHMSA-N 1 2 397.906 3.846 20 30 GHEDLO C=CCn1c(-c2cccc(C)c2)nn(CN(C)CCCn2cc[nH+]c2)c1=S ZINC000767756610 872814295 /nfs/dbraw/zinc/81/42/95/872814295.db2.gz USNFCHZWPYSMQT-UHFFFAOYSA-N 1 2 382.537 3.752 20 30 GHEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)C2 ZINC000527248347 872869192 /nfs/dbraw/zinc/86/91/92/872869192.db2.gz XEJDDBZZZYVQFH-LVCYWYKZSA-N 1 2 376.504 3.936 20 30 GHEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)CC2 ZINC000527248347 872869195 /nfs/dbraw/zinc/86/91/95/872869195.db2.gz XEJDDBZZZYVQFH-LVCYWYKZSA-N 1 2 376.504 3.936 20 30 GHEDLO COc1ccc(OC)c(C[NH+]2CCN([C@@H](C#N)c3ccc(Cl)cc3)CC2)c1 ZINC000619784793 872999716 /nfs/dbraw/zinc/99/97/16/872999716.db2.gz SKGNGRUHLPBHTD-FQEVSTJZSA-N 1 2 385.895 3.740 20 30 GHEDLO CC(C)(C#N)c1ccccc1COC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000768028539 873033620 /nfs/dbraw/zinc/03/36/20/873033620.db2.gz YMINUVBJUXNZLD-JOCHJYFZSA-N 1 2 392.499 3.729 20 30 GHEDLO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)Cc1ccoc1 ZINC000102408691 882701774 /nfs/dbraw/zinc/70/17/74/882701774.db2.gz LGZAFJLPNSXGDR-UHFFFAOYSA-N 1 2 380.448 3.672 20 30 GHEDLO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)Cc1ccoc1 ZINC000102408691 882701778 /nfs/dbraw/zinc/70/17/78/882701778.db2.gz LGZAFJLPNSXGDR-UHFFFAOYSA-N 1 2 380.448 3.672 20 30 GHEDLO CSc1cc(C)ccc1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000464753202 874419084 /nfs/dbraw/zinc/41/90/84/874419084.db2.gz RKAGQQJPVYPCCT-UHFFFAOYSA-N 1 2 394.544 3.616 20 30 GHEDLO C=CCCC1(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)CC1 ZINC000476678940 882837260 /nfs/dbraw/zinc/83/72/60/882837260.db2.gz VZVOSTFBZAXQNE-UHFFFAOYSA-N 1 2 376.298 3.810 20 30 GHEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC#N)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542092322 874933714 /nfs/dbraw/zinc/93/37/14/874933714.db2.gz CNQAPYFSDPKIKN-QUCCMNQESA-N 1 2 387.405 3.735 20 30 GHEDLO CC[N@H+]1CC[C@@H](NC(=O)c2ccc(CC#N)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542092322 874933716 /nfs/dbraw/zinc/93/37/16/874933716.db2.gz CNQAPYFSDPKIKN-QUCCMNQESA-N 1 2 387.405 3.735 20 30 GHEDLO O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N=NCc1cccc2[nH+]ccn21 ZINC000771098569 875038884 /nfs/dbraw/zinc/03/88/84/875038884.db2.gz NLYKSAFHOOVVIM-UHFFFAOYSA-N 1 2 394.269 3.616 20 30 GHEDLO C=CC[N@@H+](CCc1ccco1)CN1C[C@@H](c2cc(F)c(F)c(F)c2)CC1=O ZINC000787226213 877280926 /nfs/dbraw/zinc/28/09/26/877280926.db2.gz HWXLURIYESGWMN-HNNXBMFYSA-N 1 2 378.394 3.701 20 30 GHEDLO C=CC[N@H+](CCc1ccco1)CN1C[C@@H](c2cc(F)c(F)c(F)c2)CC1=O ZINC000787226213 877280942 /nfs/dbraw/zinc/28/09/42/877280942.db2.gz HWXLURIYESGWMN-HNNXBMFYSA-N 1 2 378.394 3.701 20 30 GHEDLO N#Cc1ccc(OC[C@H](O)COc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc1 ZINC000551590881 877481220 /nfs/dbraw/zinc/48/12/20/877481220.db2.gz OFEPRWFQSMWLMF-FQEVSTJZSA-N 1 2 389.455 3.577 20 30 GHEDLO C[C@@H]1CCC[C@@H](C)N1C(=O)CO[NH+]=C(N)c1ccc(OCc2ccccc2)cc1 ZINC000746698841 877511213 /nfs/dbraw/zinc/51/12/13/877511213.db2.gz DSHZEDNAUUTVBK-QZTJIDSGSA-N 1 2 395.503 3.692 20 30 GHEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cccc(C#N)c1Br ZINC000451190487 877550901 /nfs/dbraw/zinc/55/09/01/877550901.db2.gz SSNCJMDSEJONCL-UHFFFAOYSA-N 1 2 389.297 3.632 20 30 GHEDLO N#Cc1ncc(Br)cc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000787889327 877690996 /nfs/dbraw/zinc/69/09/96/877690996.db2.gz LWKXJYKVTFKKTH-UHFFFAOYSA-N 1 2 391.700 3.691 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)c(Br)c1 ZINC000451289680 877726103 /nfs/dbraw/zinc/72/61/03/877726103.db2.gz XZEKHCGFQMNTSD-IEBWSBKVSA-N 1 2 389.268 3.621 20 30 GHEDLO N#Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)c(Br)c1 ZINC000451289680 877726117 /nfs/dbraw/zinc/72/61/17/877726117.db2.gz XZEKHCGFQMNTSD-IEBWSBKVSA-N 1 2 389.268 3.621 20 30 GHEDLO C#CCOc1ccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000788289294 877998373 /nfs/dbraw/zinc/99/83/73/877998373.db2.gz AGXULXDYCWRDHX-VQTJNVASSA-N 1 2 385.414 3.544 20 30 GHEDLO C#CCOc1ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000788289294 877998381 /nfs/dbraw/zinc/99/83/81/877998381.db2.gz AGXULXDYCWRDHX-VQTJNVASSA-N 1 2 385.414 3.544 20 30 GHEDLO Cc1cc(Br)cn2c(/C=C3/CCc4cc(C#N)cnc4C3=O)c[nH+]c12 ZINC000788356512 878026797 /nfs/dbraw/zinc/02/67/97/878026797.db2.gz NCMLYTACKFKQIP-NSIKDUERSA-N 1 2 393.244 3.884 20 30 GHEDLO CC(C)(C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1cc(F)cc(C#N)c1 ZINC000285549751 912336121 /nfs/dbraw/zinc/33/61/21/912336121.db2.gz AOCNNKUXGGCGDE-KRWDZBQOSA-N 1 2 394.494 3.914 20 30 GHEDLO N#Cc1ccnc(N2CC[NH+](Cc3c(Cl)cccc3N3CCCC3)CC2)c1 ZINC000538307461 879215788 /nfs/dbraw/zinc/21/57/88/879215788.db2.gz YBANZNZQHJVHIC-UHFFFAOYSA-N 1 2 381.911 3.529 20 30 GHEDLO CC(C)CO[C@H]1CC[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000247014756 879885390 /nfs/dbraw/zinc/88/53/90/879885390.db2.gz DGDZUAUHQQBLMZ-SJORKVTESA-N 1 2 375.538 3.624 20 30 GHEDLO CC(C)CO[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000247014756 879885399 /nfs/dbraw/zinc/88/53/99/879885399.db2.gz DGDZUAUHQQBLMZ-SJORKVTESA-N 1 2 375.538 3.624 20 30 GHEDLO C[C@H](O[NH+]=C(N)c1ccc(OCc2ccccc2)cc1)C(=O)N1CCC(C)CC1 ZINC000112619672 880050284 /nfs/dbraw/zinc/05/02/84/880050284.db2.gz TVQQXSLXVXYDOV-SFHVURJKSA-N 1 2 395.503 3.550 20 30 GHEDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000531869579 880649605 /nfs/dbraw/zinc/64/96/05/880649605.db2.gz KXTJTXJMQVWCQW-MRXNPFEDSA-N 1 2 382.464 3.552 20 30 GHEDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000531869579 880649615 /nfs/dbraw/zinc/64/96/15/880649615.db2.gz KXTJTXJMQVWCQW-MRXNPFEDSA-N 1 2 382.464 3.552 20 30 GHEDLO N#Cc1cccc(OCc2cccc(C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)c2)c1 ZINC000609662027 883502981 /nfs/dbraw/zinc/50/29/81/883502981.db2.gz LITIIXIIMWPTPD-OAQYLSRUSA-N 1 2 386.455 3.811 20 30 GHEDLO C=CCNc1ncc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)s1 ZINC000136103243 883673593 /nfs/dbraw/zinc/67/35/93/883673593.db2.gz RVHVFKSXGJRWSS-LBPRGKRZSA-N 1 2 377.539 3.682 20 30 GHEDLO C=CCNc1ncc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)s1 ZINC000136103243 883673599 /nfs/dbraw/zinc/67/35/99/883673599.db2.gz RVHVFKSXGJRWSS-LBPRGKRZSA-N 1 2 377.539 3.682 20 30 GHEDLO O=C1C=COC2(CC[NH+](Cc3nc4ccc(Br)cc4s3)CC2)C1 ZINC000897599431 884006157 /nfs/dbraw/zinc/00/61/57/884006157.db2.gz KWQPKCKVSHVKTD-UHFFFAOYSA-N 1 2 393.306 3.897 20 30 GHEDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(F)c(C(F)(F)F)cc2F)C1 ZINC000805756968 884085467 /nfs/dbraw/zinc/08/54/67/884085467.db2.gz POYJHQVICJRSCE-CYBMUJFWSA-N 1 2 391.258 3.911 20 30 GHEDLO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(F)c(C(F)(F)F)cc2F)C1 ZINC000805756968 884085479 /nfs/dbraw/zinc/08/54/79/884085479.db2.gz POYJHQVICJRSCE-CYBMUJFWSA-N 1 2 391.258 3.911 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@](CF)(C(F)(F)F)C1 ZINC001183828443 912834299 /nfs/dbraw/zinc/83/42/99/912834299.db2.gz HARWTOVZIPSMIY-MJGOQNOKSA-N 1 2 397.416 3.663 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@](CF)(C(F)(F)F)C1 ZINC001183828443 912834310 /nfs/dbraw/zinc/83/43/10/912834310.db2.gz HARWTOVZIPSMIY-MJGOQNOKSA-N 1 2 397.416 3.663 20 30 GHEDLO C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)CCC1(F)F ZINC001183828456 912834870 /nfs/dbraw/zinc/83/48/70/912834870.db2.gz HNRDFPNZMJYMCB-LPHOPBHVSA-N 1 2 375.463 3.807 20 30 GHEDLO C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)CCC1(F)F ZINC001183828456 912834882 /nfs/dbraw/zinc/83/48/82/912834882.db2.gz HNRDFPNZMJYMCB-LPHOPBHVSA-N 1 2 375.463 3.807 20 30 GHEDLO COc1ccccc1CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183833072 912838103 /nfs/dbraw/zinc/83/81/03/912838103.db2.gz ZKNDTAOBWHWDSL-QFIPXVFZSA-N 1 2 391.515 3.622 20 30 GHEDLO COc1ccccc1CCN(C)C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183833072 912838120 /nfs/dbraw/zinc/83/81/20/912838120.db2.gz ZKNDTAOBWHWDSL-QFIPXVFZSA-N 1 2 391.515 3.622 20 30 GHEDLO CC(C)(C)c1cc(CO[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)no1 ZINC000842027209 884599264 /nfs/dbraw/zinc/59/92/64/884599264.db2.gz RCERGEHYCKSURA-UHFFFAOYSA-N 1 2 380.448 3.783 20 30 GHEDLO N#Cc1ccsc1NC(=O)C[N@H+](CCc1ccccc1)Cc1cccnc1 ZINC000191348725 884862760 /nfs/dbraw/zinc/86/27/60/884862760.db2.gz MKSTYSZXORDEEB-UHFFFAOYSA-N 1 2 376.485 3.698 20 30 GHEDLO N#Cc1ccsc1NC(=O)C[N@@H+](CCc1ccccc1)Cc1cccnc1 ZINC000191348725 884862774 /nfs/dbraw/zinc/86/27/74/884862774.db2.gz MKSTYSZXORDEEB-UHFFFAOYSA-N 1 2 376.485 3.698 20 30 GHEDLO Cc1cc(C#N)ccc1C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000610968146 885601368 /nfs/dbraw/zinc/60/13/68/885601368.db2.gz MZXIIIMWOABIOD-UHFFFAOYSA-N 1 2 387.405 3.844 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(OC(F)F)c(Cl)c3)CC2)cn1 ZINC000862421572 886364927 /nfs/dbraw/zinc/36/49/27/886364927.db2.gz ZOPHLGILIVDWIJ-UHFFFAOYSA-N 1 2 378.810 3.530 20 30 GHEDLO C[C@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000105016785 887225536 /nfs/dbraw/zinc/22/55/36/887225536.db2.gz WXDIQEZDZFVGHE-IRXDYDNUSA-N 1 2 394.475 3.581 20 30 GHEDLO COc1ccc(C[C@H]([NH3+])c2nc(-c3ccc(C(C)(C)C)cc3C#N)no2)c(O)c1 ZINC001211951520 887796913 /nfs/dbraw/zinc/79/69/13/887796913.db2.gz FNCDSSKHGRFJTL-SFHVURJKSA-N 1 2 392.459 3.862 20 30 GHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCc2ccccc2[C@H]1C ZINC000106862408 888069476 /nfs/dbraw/zinc/06/94/76/888069476.db2.gz UWQQBCLEPYAJMB-GOSISDBHSA-N 1 2 394.519 3.571 20 30 GHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCc2ccccc2[C@H]1C ZINC000106862408 888069493 /nfs/dbraw/zinc/06/94/93/888069493.db2.gz UWQQBCLEPYAJMB-GOSISDBHSA-N 1 2 394.519 3.571 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2ccc3c(C#N)c[nH]c3c2)C[C@H](C)O1 ZINC000864912472 888070441 /nfs/dbraw/zinc/07/04/41/888070441.db2.gz FTIBDOLZJZYVTM-IYBDPMFKSA-N 1 2 388.471 3.901 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2ccc3c(C#N)c[nH]c3c2)C[C@H](C)O1 ZINC000864912472 888070455 /nfs/dbraw/zinc/07/04/55/888070455.db2.gz FTIBDOLZJZYVTM-IYBDPMFKSA-N 1 2 388.471 3.901 20 30 GHEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000465515138 888223089 /nfs/dbraw/zinc/22/30/89/888223089.db2.gz FJZSCJXJNBDMSZ-GOTSBHOMSA-N 1 2 399.498 3.913 20 30 GHEDLO C[C@@H]([NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cccc(C#N)c1O ZINC000866234257 888790063 /nfs/dbraw/zinc/79/00/63/888790063.db2.gz YDUMQAAVVQQIGD-CYBMUJFWSA-N 1 2 390.409 3.997 20 30 GHEDLO COCCN(C)[NH+]=CC1=C(N2CCOCC2)/C(=C/c2ccc(Cl)cc2)CC1 ZINC000794970318 889101263 /nfs/dbraw/zinc/10/12/63/889101263.db2.gz ASJWDHWKRZXFDE-NNQSBTTHSA-N 1 2 389.927 3.668 20 30 GHEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccccc1C(=O)Nc1ccc(OC)cc1 ZINC000916626703 889199032 /nfs/dbraw/zinc/19/90/32/889199032.db2.gz XTMHBXMXLRDVFA-UHFFFAOYSA-N 1 2 379.460 3.560 20 30 GHEDLO N#CCCCN1CCC2(CC[NH+](Cc3cc(Cl)c(O)c(Cl)c3)CC2)C1=O ZINC001275321415 913335361 /nfs/dbraw/zinc/33/53/61/913335361.db2.gz BKASKXFLDAQFHH-UHFFFAOYSA-N 1 2 396.318 3.817 20 30 GHEDLO N#Cc1cccc(-c2cc(C(=O)N[C@@H](Cn3cc[nH+]c3)c3ccccc3)on2)c1 ZINC001132815771 889602540 /nfs/dbraw/zinc/60/25/40/889602540.db2.gz STWCMMQRIJMVOX-FQEVSTJZSA-N 1 2 383.411 3.581 20 30 GHEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)CN1C[C@@H](c2cccc(Cl)c2)CC1=O ZINC000812280313 890499908 /nfs/dbraw/zinc/49/99/08/890499908.db2.gz DHIWSFRIZPHJOU-FQEVSTJZSA-N 1 2 397.906 3.634 20 30 GHEDLO COCC[N@H+](Cc1ccc(C#N)cc1)CN1C[C@@H](c2cccc(Cl)c2)CC1=O ZINC000812280313 890499919 /nfs/dbraw/zinc/49/99/19/890499919.db2.gz DHIWSFRIZPHJOU-FQEVSTJZSA-N 1 2 397.906 3.634 20 30 GHEDLO COc1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc(C#N)c2)c(SC)cc1OC ZINC000533428796 890542593 /nfs/dbraw/zinc/54/25/93/890542593.db2.gz CXFXCAMNXKPERH-AWEZNQCLSA-N 1 2 399.516 3.756 20 30 GHEDLO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc(C#N)c2)c(SC)cc1OC ZINC000533428796 890542599 /nfs/dbraw/zinc/54/25/99/890542599.db2.gz CXFXCAMNXKPERH-AWEZNQCLSA-N 1 2 399.516 3.756 20 30 GHEDLO FC(F)(F)CO[C@H]1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000533478257 890674290 /nfs/dbraw/zinc/67/42/90/890674290.db2.gz NEMMAHVNGBTPDY-HNNXBMFYSA-N 1 2 381.316 3.980 20 30 GHEDLO FC(F)(F)CO[C@H]1CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000533478257 890674298 /nfs/dbraw/zinc/67/42/98/890674298.db2.gz NEMMAHVNGBTPDY-HNNXBMFYSA-N 1 2 381.316 3.980 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)Nc2cc(CC#N)ccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000871725697 890992302 /nfs/dbraw/zinc/99/23/02/890992302.db2.gz JIIWNUPSSPFLGA-AEFFLSMTSA-N 1 2 387.846 3.507 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)Nc2cc(CC#N)ccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000871725697 890992310 /nfs/dbraw/zinc/99/23/10/890992310.db2.gz JIIWNUPSSPFLGA-AEFFLSMTSA-N 1 2 387.846 3.507 20 30 GHEDLO Cc1ccc([C@@H]2CCC[N@@H+]2CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)cc1 ZINC000917095908 891158903 /nfs/dbraw/zinc/15/89/03/891158903.db2.gz MVNDTTMXSDHBQU-QUCCMNQESA-N 1 2 386.455 3.657 20 30 GHEDLO Cc1ccc([C@@H]2CCC[N@H+]2CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)cc1 ZINC000917095908 891158912 /nfs/dbraw/zinc/15/89/12/891158912.db2.gz MVNDTTMXSDHBQU-QUCCMNQESA-N 1 2 386.455 3.657 20 30 GHEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCc3cn4ccccc4c3C#N)c2)n1 ZINC000747831852 891212134 /nfs/dbraw/zinc/21/21/34/891212134.db2.gz JWRWVGMHDYIRHD-UHFFFAOYSA-N 1 2 398.470 3.719 20 30 GHEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(-c3scnc3C)cc2)n1 ZINC000825726904 892119198 /nfs/dbraw/zinc/11/91/98/892119198.db2.gz YLDPQCCGPHOFEL-UHFFFAOYSA-N 1 2 380.517 3.597 20 30 GHEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(-c3scnc3C)cc2)n1 ZINC000825726904 892119208 /nfs/dbraw/zinc/11/92/08/892119208.db2.gz YLDPQCCGPHOFEL-UHFFFAOYSA-N 1 2 380.517 3.597 20 30 GHEDLO C=CCn1cc2ccc(NC(=O)c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)cc2n1 ZINC001134291386 892597595 /nfs/dbraw/zinc/59/75/95/892597595.db2.gz SGNKMBZQWPEYDR-UHFFFAOYSA-N 1 2 388.387 3.569 20 30 GHEDLO N#Cc1ccc([C@H]2C[N@H+](Cc3cccc(C(=O)N4CCCCC4)c3)CCO2)cc1 ZINC000933625259 893107339 /nfs/dbraw/zinc/10/73/39/893107339.db2.gz QWDVWMHAXQBOOI-HSZRJFAPSA-N 1 2 389.499 3.758 20 30 GHEDLO N#Cc1ccc([C@H]2C[N@@H+](Cc3cccc(C(=O)N4CCCCC4)c3)CCO2)cc1 ZINC000933625259 893107345 /nfs/dbraw/zinc/10/73/45/893107345.db2.gz QWDVWMHAXQBOOI-HSZRJFAPSA-N 1 2 389.499 3.758 20 30 GHEDLO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933625510 893107405 /nfs/dbraw/zinc/10/74/05/893107405.db2.gz VFDJHWBRUMSLHY-HXUWFJFHSA-N 1 2 399.878 3.622 20 30 GHEDLO COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933625510 893107414 /nfs/dbraw/zinc/10/74/14/893107414.db2.gz VFDJHWBRUMSLHY-HXUWFJFHSA-N 1 2 399.878 3.622 20 30 GHEDLO O=C1C=COC2(CC[NH+](Cc3nnc(-c4ccc(Cl)cc4Cl)o3)CC2)C1 ZINC000933652033 893116821 /nfs/dbraw/zinc/11/68/21/893116821.db2.gz NKRMVHRJBDYQFK-UHFFFAOYSA-N 1 2 394.258 3.881 20 30 GHEDLO O=C1C=COC2(CC[NH+](Cc3nc(-c4ccc(C(F)(F)F)cc4)no3)CC2)C1 ZINC000933653068 893118436 /nfs/dbraw/zinc/11/84/36/893118436.db2.gz BGXCNTYVKMDVSY-UHFFFAOYSA-N 1 2 393.365 3.593 20 30 GHEDLO O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933653547 893118651 /nfs/dbraw/zinc/11/86/51/893118651.db2.gz VETHJTUYAFACRS-OAQYLSRUSA-N 1 2 394.446 3.843 20 30 GHEDLO CCC(=[NH+]Nc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(Cl)c(N)c1 ZINC000814828031 893211004 /nfs/dbraw/zinc/21/10/04/893211004.db2.gz KOLTUOCTJGLXMC-UHFFFAOYSA-N 1 2 392.912 3.589 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[N@H+](C)Cc1cc(C#N)cs1 ZINC000933777791 893212773 /nfs/dbraw/zinc/21/27/73/893212773.db2.gz TWYHECSOQKPFCI-MRXNPFEDSA-N 1 2 393.516 3.881 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933777791 893212792 /nfs/dbraw/zinc/21/27/92/893212792.db2.gz TWYHECSOQKPFCI-MRXNPFEDSA-N 1 2 393.516 3.881 20 30 GHEDLO N#Cc1ccc(NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)c(C2CC2)c1 ZINC000933856071 893261605 /nfs/dbraw/zinc/26/16/05/893261605.db2.gz CGJZDLOZJOBFCB-UHFFFAOYSA-N 1 2 393.516 3.706 20 30 GHEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CC[C@@H](O)[C@H]3c3ccc(Cl)cc3)C2=O)cc1 ZINC000563023288 893289136 /nfs/dbraw/zinc/28/91/36/893289136.db2.gz ZSJSZJUORBOWPN-PWRODBHTSA-N 1 2 395.890 3.515 20 30 GHEDLO N#Cc1ccc(N2CCC[C@H]([N@H+]3CC[C@@H](O)[C@H]3c3ccc(Cl)cc3)C2=O)cc1 ZINC000563023288 893289148 /nfs/dbraw/zinc/28/91/48/893289148.db2.gz ZSJSZJUORBOWPN-PWRODBHTSA-N 1 2 395.890 3.515 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC(CCC#N)CC3)n2)C1 ZINC000563085014 893353207 /nfs/dbraw/zinc/35/32/07/893353207.db2.gz HMFLILBKYHMPSK-OAHLLOKOSA-N 1 2 375.542 3.923 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC(CCC#N)CC3)n2)C1 ZINC000563085014 893353226 /nfs/dbraw/zinc/35/32/26/893353226.db2.gz HMFLILBKYHMPSK-OAHLLOKOSA-N 1 2 375.542 3.923 20 30 GHEDLO Cc1cc(C(=O)N2CC[N@H+](Cc3ccc(-c4ccccc4C#N)cc3)[C@H](C)C2)n[nH]1 ZINC000563249447 893526490 /nfs/dbraw/zinc/52/64/90/893526490.db2.gz KCWWGYJDTPVNEN-GOSISDBHSA-N 1 2 399.498 3.603 20 30 GHEDLO Cc1cc(C(=O)N2CC[N@@H+](Cc3ccc(-c4ccccc4C#N)cc3)[C@H](C)C2)n[nH]1 ZINC000563249447 893526506 /nfs/dbraw/zinc/52/65/06/893526506.db2.gz KCWWGYJDTPVNEN-GOSISDBHSA-N 1 2 399.498 3.603 20 30 GHEDLO CC(=O)[C@](C#N)(CC[NH+]1CCN(C/C=C\c2ccccc2)CC1)c1ccccc1 ZINC000877948321 893908455 /nfs/dbraw/zinc/90/84/55/893908455.db2.gz SMBMGQAXAAMQOW-NZVDAZKMSA-N 1 2 387.527 3.758 20 30 GHEDLO CC(=O)[C@](C#N)(CCN1CC[NH+](C/C=C\c2ccccc2)CC1)c1ccccc1 ZINC000877948321 893908468 /nfs/dbraw/zinc/90/84/68/893908468.db2.gz SMBMGQAXAAMQOW-NZVDAZKMSA-N 1 2 387.527 3.758 20 30 GHEDLO CC(=O)[C@](C#N)(CC[N@H+](CC(=O)Nc1ccc(F)cc1)C(C)C)c1ccccc1 ZINC000878236784 894121632 /nfs/dbraw/zinc/12/16/32/894121632.db2.gz PEJZIQVEVQBXIT-HSZRJFAPSA-N 1 2 395.478 3.915 20 30 GHEDLO CC(=O)[C@](C#N)(CC[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)C)c1ccccc1 ZINC000878236784 894121648 /nfs/dbraw/zinc/12/16/48/894121648.db2.gz PEJZIQVEVQBXIT-HSZRJFAPSA-N 1 2 395.478 3.915 20 30 GHEDLO CN(Cc1ccns1)Cc1cc(C#N)cc(C[N@H+](C)Cc2ccns2)c1 ZINC000878898979 894708802 /nfs/dbraw/zinc/70/88/02/894708802.db2.gz CXOAQDBENIRWSY-UHFFFAOYSA-N 1 2 383.546 3.735 20 30 GHEDLO CN(Cc1ccns1)Cc1cc(C#N)cc(C[N@@H+](C)Cc2ccns2)c1 ZINC000878898979 894708814 /nfs/dbraw/zinc/70/88/14/894708814.db2.gz CXOAQDBENIRWSY-UHFFFAOYSA-N 1 2 383.546 3.735 20 30 GHEDLO C[N@@H+]1CCO[C@@H]([C@H](Nc2ncc3c(c2C#N)CCC3)c2ccc(Cl)cc2)C1 ZINC000566135653 896133256 /nfs/dbraw/zinc/13/32/56/896133256.db2.gz NQIYOJOPCSOLEA-WOJBJXKFSA-N 1 2 382.895 3.579 20 30 GHEDLO C[N@H+]1CCO[C@@H]([C@H](Nc2ncc3c(c2C#N)CCC3)c2ccc(Cl)cc2)C1 ZINC000566135653 896133258 /nfs/dbraw/zinc/13/32/58/896133258.db2.gz NQIYOJOPCSOLEA-WOJBJXKFSA-N 1 2 382.895 3.579 20 30 GHEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000568410695 897816188 /nfs/dbraw/zinc/81/61/88/897816188.db2.gz VMSZJUSGAGKHFZ-KRWDZBQOSA-N 1 2 378.451 3.645 20 30 GHEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC=C(c2ccccn2)C1 ZINC000568410695 897816194 /nfs/dbraw/zinc/81/61/94/897816194.db2.gz VMSZJUSGAGKHFZ-KRWDZBQOSA-N 1 2 378.451 3.645 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)Cc3cccc(C#N)c3)n2)C1 ZINC000043546722 898706563 /nfs/dbraw/zinc/70/65/63/898706563.db2.gz USKBPMXYNRANBM-OAHLLOKOSA-N 1 2 383.521 3.911 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)Cc3cccc(C#N)c3)n2)C1 ZINC000043546722 898706573 /nfs/dbraw/zinc/70/65/73/898706573.db2.gz USKBPMXYNRANBM-OAHLLOKOSA-N 1 2 383.521 3.911 20 30 GHEDLO N#Cc1cccc(N2CC[NH+](Cc3cnc(CCc4ccccc4)s3)CC2)n1 ZINC000570397060 899301413 /nfs/dbraw/zinc/30/14/13/899301413.db2.gz QCEVMMNPQZGJGU-UHFFFAOYSA-N 1 2 389.528 3.517 20 30 GHEDLO N#Cc1ccc(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1F ZINC000570692386 899512917 /nfs/dbraw/zinc/51/29/17/899512917.db2.gz CVVZOAACUOOXIH-VQTJNVASSA-N 1 2 375.407 3.944 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(NC3=CC[C@H](C#N)CC3)c[nH+]2)C1 ZINC001212859437 899902191 /nfs/dbraw/zinc/90/21/91/899902191.db2.gz JKQSJUDCTSKPDC-MAUKXSAKSA-N 1 2 383.496 3.804 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1c(Cl)cccc1C#N)C2 ZINC001143730980 900454814 /nfs/dbraw/zinc/45/48/14/900454814.db2.gz JAGUHURIZPSXNX-JLVBRIDZSA-N 1 2 375.900 3.947 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1c(Cl)cccc1C#N)C2 ZINC001143730980 900454819 /nfs/dbraw/zinc/45/48/19/900454819.db2.gz JAGUHURIZPSXNX-JLVBRIDZSA-N 1 2 375.900 3.947 20 30 GHEDLO OC[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc(OC(F)(F)F)cc1F ZINC001143781180 900525156 /nfs/dbraw/zinc/52/51/56/900525156.db2.gz LDLNPSFYEAHOCH-DGCLKSJQSA-N 1 2 375.284 3.860 20 30 GHEDLO OC[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1ccc(OC(F)(F)F)cc1F ZINC001143781180 900525163 /nfs/dbraw/zinc/52/51/63/900525163.db2.gz LDLNPSFYEAHOCH-DGCLKSJQSA-N 1 2 375.284 3.860 20 30 GHEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2F)C1 ZINC001143793704 900544074 /nfs/dbraw/zinc/54/40/74/900544074.db2.gz NAHADHGYSQFHTL-ZDUSSCGKSA-N 1 2 376.350 3.601 20 30 GHEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)cc2F)C1 ZINC001143793704 900544086 /nfs/dbraw/zinc/54/40/86/900544086.db2.gz NAHADHGYSQFHTL-ZDUSSCGKSA-N 1 2 376.350 3.601 20 30 GHEDLO C[C@H](c1nnc(-c2ccccc2F)s1)[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844370788 900736710 /nfs/dbraw/zinc/73/67/10/900736710.db2.gz JLGDQSFPSRTWMF-ACJLOTCBSA-N 1 2 382.464 3.942 20 30 GHEDLO C[C@H](c1nnc(-c2ccccc2F)s1)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844370788 900736717 /nfs/dbraw/zinc/73/67/17/900736717.db2.gz JLGDQSFPSRTWMF-ACJLOTCBSA-N 1 2 382.464 3.942 20 30 GHEDLO C[N@@H+](Cc1csc(CCc2ccccc2)n1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844368268 900779008 /nfs/dbraw/zinc/77/90/08/900779008.db2.gz CXDZLHYVTYDVAZ-OAQYLSRUSA-N 1 2 377.513 3.965 20 30 GHEDLO C[N@H+](Cc1csc(CCc2ccccc2)n1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844368268 900779014 /nfs/dbraw/zinc/77/90/14/900779014.db2.gz CXDZLHYVTYDVAZ-OAQYLSRUSA-N 1 2 377.513 3.965 20 30 GHEDLO COC(=O)Cc1ccc(N[NH+]=Cc2sc(N3CCCC3)nc2Cl)cc1 ZINC000844607393 901072653 /nfs/dbraw/zinc/07/26/53/901072653.db2.gz XNPUEXOGAQBLAB-UHFFFAOYSA-N 1 2 378.885 3.558 20 30 GHEDLO O=C(c1ccc(C(F)(F)F)c(F)c1F)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001186469125 914558607 /nfs/dbraw/zinc/55/86/07/914558607.db2.gz KORDEKJXHBNEKV-LBPRGKRZSA-N 1 2 398.322 3.929 20 30 GHEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3cn(CCCC#N)c4ccccc34)n2)C1 ZINC000576384933 901989217 /nfs/dbraw/zinc/98/92/17/901989217.db2.gz UYMULXHPWRRDML-LJQANCHMSA-N 1 2 379.464 3.777 20 30 GHEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3cn(CCCC#N)c4ccccc34)n2)C1 ZINC000576384933 901989228 /nfs/dbraw/zinc/98/92/28/901989228.db2.gz UYMULXHPWRRDML-LJQANCHMSA-N 1 2 379.464 3.777 20 30 GHEDLO C[C@H](OC(=O)C[C@H](C)n1cc[nH+]c1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000845279442 902005496 /nfs/dbraw/zinc/00/54/96/902005496.db2.gz WNPLHTPNLGLYHD-HLZWUCMXSA-N 1 2 381.476 3.647 20 30 GHEDLO C=CCCn1cc(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)sc2C)nn1 ZINC000887461325 902395013 /nfs/dbraw/zinc/39/50/13/902395013.db2.gz SVAQKDLCSBIEAJ-IBGZPJMESA-N 1 2 395.532 3.860 20 30 GHEDLO C=CCCn1cc(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)sc2C)nn1 ZINC000887461325 902395021 /nfs/dbraw/zinc/39/50/21/902395021.db2.gz SVAQKDLCSBIEAJ-IBGZPJMESA-N 1 2 395.532 3.860 20 30 GHEDLO COc1ccc(Cl)c(N2CC[NH+](Cc3ccc(O[C@@H](C)C#N)cc3)CC2)c1 ZINC000845996472 902610690 /nfs/dbraw/zinc/61/06/90/902610690.db2.gz PAIWRVVJEPWDEM-INIZCTEOSA-N 1 2 385.895 3.962 20 30 GHEDLO C[C@@H](c1cccc(NC(=O)N(C)Cc2ccc(C#N)cc2)c1)[NH+]1CCOCC1 ZINC000264210682 902927775 /nfs/dbraw/zinc/92/77/75/902927775.db2.gz HACNZZSCYFISPD-KRWDZBQOSA-N 1 2 378.476 3.615 20 30 GHEDLO C=CCCn1cc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2cccc(C)c2)nn1 ZINC000846817948 903238353 /nfs/dbraw/zinc/23/83/53/903238353.db2.gz HMNNNVVRCHEQSB-HSZRJFAPSA-N 1 2 376.504 3.898 20 30 GHEDLO C=CCCn1cc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2cccc(C)c2)nn1 ZINC000846817948 903238368 /nfs/dbraw/zinc/23/83/68/903238368.db2.gz HMNNNVVRCHEQSB-HSZRJFAPSA-N 1 2 376.504 3.898 20 30 GHEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000264722258 903339252 /nfs/dbraw/zinc/33/92/52/903339252.db2.gz LNCMFGXBOSJOSH-SFHVURJKSA-N 1 2 393.491 3.635 20 30 GHEDLO N#Cc1ccc(C2CCN(C(=O)C[C@@H](n3cc[nH+]c3)C(F)(F)F)CC2)cc1 ZINC000887698799 903504641 /nfs/dbraw/zinc/50/46/41/903504641.db2.gz BDDRNPHNXLCZPG-QGZVFWFLSA-N 1 2 376.382 3.654 20 30 GHEDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 ZINC001147578745 903827271 /nfs/dbraw/zinc/82/72/71/903827271.db2.gz PJSHIYMQLPCQMC-DNVJHFABSA-N 1 2 389.499 3.568 20 30 GHEDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 ZINC001147578745 903827272 /nfs/dbraw/zinc/82/72/72/903827272.db2.gz PJSHIYMQLPCQMC-DNVJHFABSA-N 1 2 389.499 3.568 20 30 GHEDLO COC(=O)CCC[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccccc1 ZINC000153177541 904336780 /nfs/dbraw/zinc/33/67/80/904336780.db2.gz RHJQYHYUHGTAFS-UHFFFAOYSA-N 1 2 390.443 3.564 20 30 GHEDLO COC(=O)CCC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccccc1 ZINC000153177541 904336795 /nfs/dbraw/zinc/33/67/95/904336795.db2.gz RHJQYHYUHGTAFS-UHFFFAOYSA-N 1 2 390.443 3.564 20 30 GHEDLO C[N@@H+]1CCc2c(C#N)c(NC(=O)NCc3ccc(C(F)(F)F)cc3)sc2C1 ZINC001186782044 914804712 /nfs/dbraw/zinc/80/47/12/914804712.db2.gz IBHPFLYCTIULMW-UHFFFAOYSA-N 1 2 394.422 3.948 20 30 GHEDLO C[N@H+]1CCc2c(C#N)c(NC(=O)NCc3ccc(C(F)(F)F)cc3)sc2C1 ZINC001186782044 914804731 /nfs/dbraw/zinc/80/47/31/914804731.db2.gz IBHPFLYCTIULMW-UHFFFAOYSA-N 1 2 394.422 3.948 20 30 GHEDLO N#Cc1c(NC(=O)C[N@@H+]2CC[C@H](Oc3ccccc3)C2)sc2c1CCCCC2 ZINC001171538486 904764692 /nfs/dbraw/zinc/76/46/92/904764692.db2.gz LCVNMAYIKDSUAT-KRWDZBQOSA-N 1 2 395.528 3.980 20 30 GHEDLO N#Cc1c(NC(=O)C[N@H+]2CC[C@H](Oc3ccccc3)C2)sc2c1CCCCC2 ZINC001171538486 904764704 /nfs/dbraw/zinc/76/47/04/904764704.db2.gz LCVNMAYIKDSUAT-KRWDZBQOSA-N 1 2 395.528 3.980 20 30 GHEDLO CCn1cncc1/C=C1/CC2(CCOCC2)C/C(=C/c2c[nH+]cn2CC)C1=O ZINC000901480269 921150111 /nfs/dbraw/zinc/15/01/11/921150111.db2.gz ADDGDPACVTZQKI-XFQWXJFMSA-N 1 2 380.492 3.746 20 30 GHEDLO O=C(NCCC[N@@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1)C(F)(F)F ZINC000801589724 921170648 /nfs/dbraw/zinc/17/06/48/921170648.db2.gz UUHGDHSOVCMWPD-CQSZACIVSA-N 1 2 386.311 3.645 20 30 GHEDLO O=C(NCCC[N@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1)C(F)(F)F ZINC000801589724 921170654 /nfs/dbraw/zinc/17/06/54/921170654.db2.gz UUHGDHSOVCMWPD-CQSZACIVSA-N 1 2 386.311 3.645 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCc3cc(F)c(F)cc3C2)C[C@H]1C#N ZINC001172993216 906103483 /nfs/dbraw/zinc/10/34/83/906103483.db2.gz KLJZKWKFMYFNAO-HOTGVXAUSA-N 1 2 377.435 3.615 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CCc3cc(F)c(F)cc3C2)C[C@H]1C#N ZINC001172993216 906103491 /nfs/dbraw/zinc/10/34/91/906103491.db2.gz KLJZKWKFMYFNAO-HOTGVXAUSA-N 1 2 377.435 3.615 20 30 GHEDLO Cc1[nH]c(-c2cccc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c2)[nH+]c1C ZINC000780403976 906143455 /nfs/dbraw/zinc/14/34/55/906143455.db2.gz QVNOVGXJJJNGJU-NRFANRHFSA-N 1 2 382.464 3.894 20 30 GHEDLO C=C(Br)C[NH+]1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC000779472289 907257620 /nfs/dbraw/zinc/25/76/20/907257620.db2.gz SPEDCHPREMWWPD-UHFFFAOYSA-N 1 2 380.204 3.777 20 30 GHEDLO CCc1nc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)cs1 ZINC000184715379 907645117 /nfs/dbraw/zinc/64/51/17/907645117.db2.gz RLWUEQWXZNXNCN-CYBMUJFWSA-N 1 2 376.913 3.956 20 30 GHEDLO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3csc(-c4cccs4)n3)C2=O)cc1 ZINC000192242742 908741752 /nfs/dbraw/zinc/74/17/52/908741752.db2.gz PKGPBUHRXIEDOR-QGZVFWFLSA-N 1 2 394.525 3.634 20 30 GHEDLO CC[NH+](CC)[C@@H](C(=O)Nc1cc(C#N)c(C#N)cc1N)c1ccccc1Cl ZINC001182221585 911313594 /nfs/dbraw/zinc/31/35/94/911313594.db2.gz RJJLLNNWPOCGHD-LJQANCHMSA-N 1 2 381.867 3.687 20 30 GHEDLO CSc1ccc(C[NH+]2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)o1 ZINC001182772838 912040832 /nfs/dbraw/zinc/04/08/32/912040832.db2.gz MSKFNHALBBZXGB-UHFFFAOYSA-N 1 2 379.489 3.585 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+](Cc3ncc(Cl)nc3Cl)CC2)C1=O ZINC001275026433 912164604 /nfs/dbraw/zinc/16/46/04/912164604.db2.gz KLDXOXJFNQVCMJ-SFHVURJKSA-N 1 2 383.323 3.564 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+](Cc3ncc(Cl)nc3Cl)CC2)C1=O ZINC001275026433 912164611 /nfs/dbraw/zinc/16/46/11/912164611.db2.gz KLDXOXJFNQVCMJ-SFHVURJKSA-N 1 2 383.323 3.564 20 30 GHEDLO C=CC[NH+]1CCN(C(=O)/C(C)=C/c2ccc(OC)c(OC3CCCC3)c2)CC1 ZINC001187566796 915366615 /nfs/dbraw/zinc/36/66/15/915366615.db2.gz KTKSKNWFOSTNCX-FBMGVBCBSA-N 1 2 384.520 3.750 20 30 GHEDLO Cc1sc(NC(=O)C[NH+]2CCC([C@H](O)c3ccccc3C)CC2)c(C#N)c1C ZINC000796421386 916872524 /nfs/dbraw/zinc/87/25/24/916872524.db2.gz VWUIKUJXLJJYOI-NRFANRHFSA-N 1 2 397.544 3.929 20 30 GHEDLO C/C(=C/C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)C[NH+]1CCOCC1 ZINC000900191796 919991262 /nfs/dbraw/zinc/99/12/62/919991262.db2.gz HZTOTXCSAGCTRG-JVCJXORTSA-N 1 2 375.472 3.559 20 30 GHEDLO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)c1 ZINC000298864181 921004375 /nfs/dbraw/zinc/00/43/75/921004375.db2.gz PVIPPPPCPFXNKE-ICSRJNTNSA-N 1 2 386.455 3.657 20 30 GHEDLO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)c1 ZINC000298864181 921004385 /nfs/dbraw/zinc/00/43/85/921004385.db2.gz PVIPPPPCPFXNKE-ICSRJNTNSA-N 1 2 386.455 3.657 20 30 GHEDLO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367058363 921899152 /nfs/dbraw/zinc/89/91/52/921899152.db2.gz SLOAQECXACOKQP-KRWDZBQOSA-N 1 2 396.922 3.812 20 30 GHEDLO O=C(NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)C(F)C(F)(F)F ZINC000368125815 922491491 /nfs/dbraw/zinc/49/14/91/922491491.db2.gz NNLUXSFTXHTYNZ-ZDUSSCGKSA-N 1 2 386.311 3.686 20 30 GHEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@H]1c1ncc[nH]1)CCCCC2 ZINC000371433518 924579161 /nfs/dbraw/zinc/57/91/61/924579161.db2.gz XBRUUNNVKLKFFR-INIZCTEOSA-N 1 2 383.521 3.777 20 30 GHEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@H]1c1ncc[nH]1)CCCCC2 ZINC000371433518 924579166 /nfs/dbraw/zinc/57/91/66/924579166.db2.gz XBRUUNNVKLKFFR-INIZCTEOSA-N 1 2 383.521 3.777 20 30 GHEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1ncc[nH]1)CCCCC2 ZINC000371433519 924579384 /nfs/dbraw/zinc/57/93/84/924579384.db2.gz XBRUUNNVKLKFFR-MRXNPFEDSA-N 1 2 383.521 3.777 20 30 GHEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@@H]1c1ncc[nH]1)CCCCC2 ZINC000371433519 924579391 /nfs/dbraw/zinc/57/93/91/924579391.db2.gz XBRUUNNVKLKFFR-MRXNPFEDSA-N 1 2 383.521 3.777 20 30 GHEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000411134772 926108971 /nfs/dbraw/zinc/10/89/71/926108971.db2.gz KFIOLKNAYQIYOY-MRXNPFEDSA-N 1 2 383.517 3.890 20 30 GHEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000411134772 926108974 /nfs/dbraw/zinc/10/89/74/926108974.db2.gz KFIOLKNAYQIYOY-MRXNPFEDSA-N 1 2 383.517 3.890 20 30 GHEDLO C[C@@H](CCC#N)[NH+]1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC000411173491 926167658 /nfs/dbraw/zinc/16/76/58/926167658.db2.gz MXRFPSRXNYUIPT-IBGZPJMESA-N 1 2 377.488 3.716 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2cc(Cl)cc(OC)c2OC)C1=O ZINC001276220176 927890722 /nfs/dbraw/zinc/89/07/22/927890722.db2.gz IDUCUBUMCARVQP-FQEVSTJZSA-N 1 2 378.900 3.500 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2cc(Cl)cc(OC)c2OC)C1=O ZINC001276220176 927890736 /nfs/dbraw/zinc/89/07/36/927890736.db2.gz IDUCUBUMCARVQP-FQEVSTJZSA-N 1 2 378.900 3.500 20 30 GHEDLO C[C@@H](O)[C@H]1CCN(c2cc(NCc3ccc(-c4ccccc4C#N)cc3)[nH+]cn2)C1 ZINC000413229565 928345352 /nfs/dbraw/zinc/34/53/52/928345352.db2.gz RFJDOAFCIUZBES-UTKZUKDTSA-N 1 2 399.498 3.834 20 30 GHEDLO C[C@@H](O)[C@H]1CCN(c2cc(NCc3ccc(-c4ccccc4C#N)cc3)nc[nH+]2)C1 ZINC000413229565 928345360 /nfs/dbraw/zinc/34/53/60/928345360.db2.gz RFJDOAFCIUZBES-UTKZUKDTSA-N 1 2 399.498 3.834 20 30 GHEDLO Cn1cc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)c(C2CCCCC2)n1 ZINC000544347122 929077760 /nfs/dbraw/zinc/07/77/60/929077760.db2.gz HOGQDBPSIAHACS-UHFFFAOYSA-N 1 2 381.499 3.801 20 30 GHEDLO CCc1ccc([C@@H](COC)[NH2+]CC(=O)N(CCC#N)c2cc(C)cc(C)c2)o1 ZINC000544449347 929195985 /nfs/dbraw/zinc/19/59/85/929195985.db2.gz MTBDTQDZHDFMEL-HXUWFJFHSA-N 1 2 383.492 3.683 20 30 GHEDLO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C=NNC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753934785 929600874 /nfs/dbraw/zinc/60/08/74/929600874.db2.gz KNADHFBUOYVCPD-HOTGVXAUSA-N 1 2 391.306 3.681 20 30 GHEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000469446327 929899390 /nfs/dbraw/zinc/89/93/90/929899390.db2.gz NIHSFWNSMVVNEU-VFNWGFHPSA-N 1 2 375.463 3.887 20 30 GHEDLO CC(=[NH+]Nc1cncc(Br)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000758129637 929936700 /nfs/dbraw/zinc/93/67/00/929936700.db2.gz JCMSVRUJTXBWCT-UHFFFAOYSA-N 1 2 393.260 3.656 20 30 GHEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000780685835 930577482 /nfs/dbraw/zinc/57/74/82/930577482.db2.gz VTBOHNFXDJMAGY-INIZCTEOSA-N 1 2 375.432 3.544 20 30 GHEDLO C[C@H](Oc1ccccc1C#N)c1nc(-c2ccccc2C[NH+]2CCOCC2)no1 ZINC000547009336 930609798 /nfs/dbraw/zinc/60/97/98/930609798.db2.gz OSJDKPWZFGWRGW-INIZCTEOSA-N 1 2 390.443 3.580 20 30 GHEDLO CCCC[C@H](ON=C(C)C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000780982205 930660910 /nfs/dbraw/zinc/66/09/10/930660910.db2.gz ZVVSOLBRECPNGI-QYZOEREBSA-N 1 2 381.467 3.797 20 30 GHEDLO CCCC[C@H](ON=C(C)C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000780982205 930660911 /nfs/dbraw/zinc/66/09/11/930660911.db2.gz ZVVSOLBRECPNGI-QYZOEREBSA-N 1 2 381.467 3.797 20 30 GHEDLO CC(C)N(C(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1)C(C)C ZINC000471003057 931088079 /nfs/dbraw/zinc/08/80/79/931088079.db2.gz CPYADXJKPBWMLI-XLIONFOSSA-N 1 2 390.959 3.556 20 30 GHEDLO C=CCN(CCC#N)C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000557383538 931393093 /nfs/dbraw/zinc/39/30/93/931393093.db2.gz LAGRUEGZJAYRPK-KRWDZBQOSA-N 1 2 376.298 3.514 20 30 GHEDLO CC[C@H]([NH2+]Cc1nnc2ccc(C(F)(F)F)cn21)c1cccc(C#N)c1O ZINC000924589050 931432927 /nfs/dbraw/zinc/43/29/27/931432927.db2.gz XANTXYCRTDKVFK-AWEZNQCLSA-N 1 2 375.354 3.566 20 30 GHEDLO C#CC[C@@H]([NH2+][C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21)c1ccccc1 ZINC000925635898 931845737 /nfs/dbraw/zinc/84/57/37/931845737.db2.gz UVEDBPHZIRPDAF-RTBURBONSA-N 1 2 392.503 3.628 20 30 GHEDLO CC(C)[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CCCO1 ZINC000559496351 932706439 /nfs/dbraw/zinc/70/64/39/932706439.db2.gz UITKQVMEIKJOIF-QAPCUYQASA-N 1 2 389.565 3.963 20 30 GHEDLO CC(C)[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CCCO1 ZINC000559496351 932706445 /nfs/dbraw/zinc/70/64/45/932706445.db2.gz UITKQVMEIKJOIF-QAPCUYQASA-N 1 2 389.565 3.963 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@@](C)(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)C1 ZINC000798945181 932830059 /nfs/dbraw/zinc/83/00/59/932830059.db2.gz IIUZLULQSNJQSH-UGKGYDQZSA-N 1 2 385.508 3.579 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@@](C)(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)C1 ZINC000798945181 932830064 /nfs/dbraw/zinc/83/00/64/932830064.db2.gz IIUZLULQSNJQSH-UGKGYDQZSA-N 1 2 385.508 3.579 20 30 GHEDLO N#CCC[N@H+](Cc1cccnc1)CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000799128610 932884595 /nfs/dbraw/zinc/88/45/95/932884595.db2.gz RAOATLNCFYYALZ-UHFFFAOYSA-N 1 2 392.503 3.846 20 30 GHEDLO N#CCC[N@@H+](Cc1cccnc1)CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000799128610 932884599 /nfs/dbraw/zinc/88/45/99/932884599.db2.gz RAOATLNCFYYALZ-UHFFFAOYSA-N 1 2 392.503 3.846 20 30 GHEDLO C[N@H+](Cc1cc(F)c(F)c(F)c1)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000777745125 933222352 /nfs/dbraw/zinc/22/23/52/933222352.db2.gz MUTBFTNTHWJHKB-CQSZACIVSA-N 1 2 396.372 3.773 20 30 GHEDLO C[N@@H+](Cc1cc(F)c(F)c(F)c1)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000777745125 933222358 /nfs/dbraw/zinc/22/23/58/933222358.db2.gz MUTBFTNTHWJHKB-CQSZACIVSA-N 1 2 396.372 3.773 20 30 GHEDLO CN(c1nc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)cs1)C1CC1 ZINC000560501466 933295542 /nfs/dbraw/zinc/29/55/42/933295542.db2.gz ACTRDNUHSBYSBI-UHFFFAOYSA-N 1 2 386.496 3.796 20 30 GHEDLO C=CCOc1ccc(CNC(=O)CSCc2cn3cc(C)ccc3[nH+]2)cc1 ZINC000560987077 933758886 /nfs/dbraw/zinc/75/88/86/933758886.db2.gz LKOVSZZYGBRWLH-UHFFFAOYSA-N 1 2 381.501 3.757 20 30 GHEDLO Cc1ccc(CNC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)cc1C#N ZINC000930231193 933909610 /nfs/dbraw/zinc/90/96/10/933909610.db2.gz ZFCZVJHQYBCZOB-QGZVFWFLSA-N 1 2 378.476 3.582 20 30 GHEDLO CC(C)Oc1ccc(NC(=O)N2CCC(Nc3cccc[nH+]3)CC2)cc1C#N ZINC000930474052 934061849 /nfs/dbraw/zinc/06/18/49/934061849.db2.gz GFSCOQPZUHVRSN-UHFFFAOYSA-N 1 2 379.464 3.849 20 30 GHEDLO CC(C)C[C@H](c1nnc(N(C)[C@@H](C)c2cccc(C#N)c2)n1C)n1cc[nH+]c1 ZINC001121406160 934647841 /nfs/dbraw/zinc/64/78/41/934647841.db2.gz BURATAMQFHAGTN-QFBILLFUSA-N 1 2 377.496 3.716 20 30 GHEDLO COc1ccc(OCc2nc(C[NH2+]Cc3ccc(C#N)c(OC)c3)cs2)cc1 ZINC000562081296 934679620 /nfs/dbraw/zinc/67/96/20/934679620.db2.gz LUZPNZCJVDHPRN-UHFFFAOYSA-N 1 2 395.484 3.901 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1Cc2ccccc2[C@@H](C)C1 ZINC001121584291 934707034 /nfs/dbraw/zinc/70/70/34/934707034.db2.gz NBLIKEBSEWIECM-SFHVURJKSA-N 1 2 390.535 3.681 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC001122529499 934890691 /nfs/dbraw/zinc/89/06/91/934890691.db2.gz DWTFLQLPVJKXBW-ZWKOTPCHSA-N 1 2 395.507 3.691 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC001122529499 934890696 /nfs/dbraw/zinc/89/06/96/934890696.db2.gz DWTFLQLPVJKXBW-ZWKOTPCHSA-N 1 2 395.507 3.691 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[C@@H](c2nc(C)cs2)C1 ZINC001122536745 934892938 /nfs/dbraw/zinc/89/29/38/934892938.db2.gz LSSWHECKSRAXPS-IAGOWNOFSA-N 1 2 386.569 3.770 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@H](c2nc(C)cs2)C1 ZINC001122536745 934892943 /nfs/dbraw/zinc/89/29/43/934892943.db2.gz LSSWHECKSRAXPS-IAGOWNOFSA-N 1 2 386.569 3.770 20 30 GHEDLO Cc1cccc2[nH]c([C@@H](C#N)C(=O)c3cnn(-c4cc[nH+]cc4)c3C(F)F)nc21 ZINC000490808907 1014723167 /nfs/dbraw/zinc/72/31/67/1014723167.db2.gz FHXZWBHKOHPSPA-ZDUSSCGKSA-N 1 2 392.369 3.880 20 30 GHEDLO Cc1cccc2nc([C@@H](C#N)C(=O)c3cnn(-c4cc[nH+]cc4)c3C(F)F)[nH]c21 ZINC000490808907 1014723178 /nfs/dbraw/zinc/72/31/78/1014723178.db2.gz FHXZWBHKOHPSPA-ZDUSSCGKSA-N 1 2 392.369 3.880 20 30 GHEDLO C=CCc1ccc(OCc2nc(Cc3cn4cccc(C)c4[nH+]3)no2)c(OC)c1 ZINC000546382563 1016602731 /nfs/dbraw/zinc/60/27/31/1016602731.db2.gz XDAZIRZEKCTSEN-UHFFFAOYSA-N 1 2 390.443 3.933 20 30 GHEDLO Cc1c(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)cccc1[N+](=O)[O-] ZINC000471020478 1016942829 /nfs/dbraw/zinc/94/28/29/1016942829.db2.gz GAZFHVUJAFUOQD-FQEVSTJZSA-N 1 2 384.867 3.939 20 30 GHEDLO C=CCc1c(O)ccc(C(C)=O)c1O[C@H]1COCC[N@H+](Cc2ccccc2)C1 ZINC001227120007 1032277406 /nfs/dbraw/zinc/27/74/06/1032277406.db2.gz CRGIBNCVCLLKEN-LJQANCHMSA-N 1 2 381.472 3.603 20 30 GHEDLO C=CCc1c(O)ccc(C(C)=O)c1O[C@H]1COCC[N@@H+](Cc2ccccc2)C1 ZINC001227120007 1032277418 /nfs/dbraw/zinc/27/74/18/1032277418.db2.gz CRGIBNCVCLLKEN-LJQANCHMSA-N 1 2 381.472 3.603 20 30 GHEDLO CCC(=O)c1cc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)ccc1F ZINC000778114825 1018615869 /nfs/dbraw/zinc/61/58/69/1018615869.db2.gz OZSLVBTZHOXEMY-UHFFFAOYSA-N 1 2 393.462 3.707 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(c3cccc(OCc4ccccc4)c3)CC2)cn1 ZINC001140547141 1021948543 /nfs/dbraw/zinc/94/85/43/1021948543.db2.gz JTLHCXKMRCEPRJ-UHFFFAOYSA-N 1 2 384.483 3.854 20 30 GHEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1cc(Br)ccc1C)CC2 ZINC001140648322 1022153653 /nfs/dbraw/zinc/15/36/53/1022153653.db2.gz VULPFZQRBRECKQ-UHFFFAOYSA-N 1 2 390.325 3.752 20 30 GHEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1cc(Br)ccc1C)CC2 ZINC001140648322 1022153663 /nfs/dbraw/zinc/15/36/63/1022153663.db2.gz VULPFZQRBRECKQ-UHFFFAOYSA-N 1 2 390.325 3.752 20 30 GHEDLO C[C@@H]1CC[N@H+](Cc2sc(N)c(C#N)c2Cl)C[C@H]1NC(=O)OC(C)(C)C ZINC001141107612 1023516502 /nfs/dbraw/zinc/51/65/02/1023516502.db2.gz ZRKCTJRBRGLKFG-ZYHUDNBSSA-N 1 2 384.933 3.590 20 30 GHEDLO C[C@@H]1CC[N@@H+](Cc2sc(N)c(C#N)c2Cl)C[C@H]1NC(=O)OC(C)(C)C ZINC001141107612 1023516504 /nfs/dbraw/zinc/51/65/04/1023516504.db2.gz ZRKCTJRBRGLKFG-ZYHUDNBSSA-N 1 2 384.933 3.590 20 30 GHEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001141167372 1023999424 /nfs/dbraw/zinc/99/94/24/1023999424.db2.gz JSVATDRIBTXHGX-HNNXBMFYSA-N 1 2 380.345 3.550 20 30 GHEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001141167372 1023999427 /nfs/dbraw/zinc/99/94/27/1023999427.db2.gz JSVATDRIBTXHGX-HNNXBMFYSA-N 1 2 380.345 3.550 20 30 GHEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1cccc(-c3ccc(F)cc3)n1)CC2 ZINC001141205307 1024125937 /nfs/dbraw/zinc/12/59/37/1024125937.db2.gz BZGBKCACLDYKBO-UHFFFAOYSA-N 1 2 392.478 3.882 20 30 GHEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1cccc(-c3ccc(F)cc3)n1)CC2 ZINC001141205307 1024125951 /nfs/dbraw/zinc/12/59/51/1024125951.db2.gz BZGBKCACLDYKBO-UHFFFAOYSA-N 1 2 392.478 3.882 20 30 GHEDLO N#Cc1cccc(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1Br ZINC001229004186 1033225555 /nfs/dbraw/zinc/22/55/55/1033225555.db2.gz DGQSHYDGTCZQAZ-QGZVFWFLSA-N 1 2 387.277 3.601 20 30 GHEDLO N#Cc1cccc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1Br ZINC001229004186 1033225567 /nfs/dbraw/zinc/22/55/67/1033225567.db2.gz DGQSHYDGTCZQAZ-QGZVFWFLSA-N 1 2 387.277 3.601 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1cnc(-c2ccccc2)s1 ZINC001138529294 1024970211 /nfs/dbraw/zinc/97/02/11/1024970211.db2.gz MDZMOSXZXQJUNC-IBGZPJMESA-N 1 2 380.517 3.846 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1cnc(-c2ccccc2)s1 ZINC001138529294 1024970213 /nfs/dbraw/zinc/97/02/13/1024970213.db2.gz MDZMOSXZXQJUNC-IBGZPJMESA-N 1 2 380.517 3.846 20 30 GHEDLO COc1cc(C#N)ccc1OC1CC[NH+](Cc2ccc(Br)o2)CC1 ZINC001138906423 1025560037 /nfs/dbraw/zinc/56/00/37/1025560037.db2.gz PPFXATSUUPZWIR-UHFFFAOYSA-N 1 2 391.265 3.966 20 30 GHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC([C@@H](O)c2cc(F)ccc2F)CC1 ZINC000839155428 1025660055 /nfs/dbraw/zinc/66/00/55/1025660055.db2.gz JDXXVKGSTLCAEF-LHSJRXKWSA-N 1 2 399.441 3.609 20 30 GHEDLO C=CCOc1ccccc1C[N@H+]1Cc2c(cnn2C)[C@H](COc2cccnc2)C1 ZINC001139028034 1025794802 /nfs/dbraw/zinc/79/48/02/1025794802.db2.gz JUJMTPKBADRFMQ-IBGZPJMESA-N 1 2 390.487 3.558 20 30 GHEDLO C=CCOc1ccccc1C[N@@H+]1Cc2c(cnn2C)[C@H](COc2cccnc2)C1 ZINC001139028034 1025794819 /nfs/dbraw/zinc/79/48/19/1025794819.db2.gz JUJMTPKBADRFMQ-IBGZPJMESA-N 1 2 390.487 3.558 20 30 GHEDLO CC(C)(C)OC(=O)N[C@H]1C[N@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)C[C@@H]1F ZINC001139400002 1026270953 /nfs/dbraw/zinc/27/09/53/1026270953.db2.gz BKEHEZXUCBKWRP-ICSRJNTNSA-N 1 2 396.466 3.667 20 30 GHEDLO CC(C)(C)OC(=O)N[C@H]1C[N@@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)C[C@@H]1F ZINC001139400002 1026270968 /nfs/dbraw/zinc/27/09/68/1026270968.db2.gz BKEHEZXUCBKWRP-ICSRJNTNSA-N 1 2 396.466 3.667 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[NH+](Cc2cccc(CN3CCCC[C@@H]3C#N)c2)CC1 ZINC001139708750 1026554179 /nfs/dbraw/zinc/55/41/79/1026554179.db2.gz TXQYQDRNMDIYDB-OAQYLSRUSA-N 1 2 398.551 3.617 20 30 GHEDLO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@@H](F)C[C@@H]2C#N)n1 ZINC001165193364 1026656983 /nfs/dbraw/zinc/65/69/83/1026656983.db2.gz QVOIUBNYOOCOPG-LSDHHAIUSA-N 1 2 381.480 3.860 20 30 GHEDLO CC(C)c1ccc(N2CCC[C@@]3(C2)COCCN(c2cccc(C#N)n2)C3)[nH+]c1 ZINC001165521675 1026752464 /nfs/dbraw/zinc/75/24/64/1026752464.db2.gz POZFKYZLEQIEMR-QHCPKHFHSA-N 1 2 391.519 3.595 20 30 GHEDLO N#Cc1c(Cl)c2ccccc2nc1N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001165547915 1026758543 /nfs/dbraw/zinc/75/85/43/1026758543.db2.gz RHYJGLZDYRQREC-UHFFFAOYSA-N 1 2 390.834 3.555 20 30 GHEDLO CCOC[C@H]1C[N@H+](Cc2c[nH]c3ccc(C#N)cc23)Cc2nn(CC3CC3)cc21 ZINC001140112100 1026893357 /nfs/dbraw/zinc/89/33/57/1026893357.db2.gz HVVTUCZDCRRCTG-LJQANCHMSA-N 1 2 389.503 3.782 20 30 GHEDLO CCOC[C@H]1C[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)Cc2nn(CC3CC3)cc21 ZINC001140112100 1026893366 /nfs/dbraw/zinc/89/33/66/1026893366.db2.gz HVVTUCZDCRRCTG-LJQANCHMSA-N 1 2 389.503 3.782 20 30 GHEDLO N#Cc1ccc2cc[nH+]c(N3CCO[C@@H]4C[C@@H](COc5ccccn5)C[C@@H]43)c2c1 ZINC001166014125 1026894162 /nfs/dbraw/zinc/89/41/62/1026894162.db2.gz BYKXWQYHKRPQMF-DZFGPLHGSA-N 1 2 386.455 3.564 20 30 GHEDLO N#Cc1ccc2[nH]cc(C[N@@H+]3CCc4onc(COc5cccnc5)c4C3)c2c1 ZINC001140113914 1026894658 /nfs/dbraw/zinc/89/46/58/1026894658.db2.gz GFPOZKNYHANRFE-UHFFFAOYSA-N 1 2 385.427 3.560 20 30 GHEDLO N#Cc1ccc2[nH]cc(C[N@H+]3CCc4onc(COc5cccnc5)c4C3)c2c1 ZINC001140113914 1026894666 /nfs/dbraw/zinc/89/46/66/1026894666.db2.gz GFPOZKNYHANRFE-UHFFFAOYSA-N 1 2 385.427 3.560 20 30 GHEDLO C=CCOC[C@H]1CCC[C@@]12CN(c1ccc3cc(OC)c(OC)cc3[nH+]1)CCO2 ZINC001166368518 1026986894 /nfs/dbraw/zinc/98/68/94/1026986894.db2.gz ZIANWAVXHIRBCX-WZONZLPQSA-N 1 2 398.503 3.830 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2ccc(Br)cc2C#N)CCC[C@]1(O)C(F)(F)F ZINC001141807280 1027335313 /nfs/dbraw/zinc/33/53/13/1027335313.db2.gz BKDUYGCTPCPENW-IAQYHMDHSA-N 1 2 391.231 3.846 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2C#N)CCC[C@]1(O)C(F)(F)F ZINC001141807280 1027335329 /nfs/dbraw/zinc/33/53/29/1027335329.db2.gz BKDUYGCTPCPENW-IAQYHMDHSA-N 1 2 391.231 3.846 20 30 GHEDLO CSc1nc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)ccc1C#N ZINC001141929094 1027686032 /nfs/dbraw/zinc/68/60/32/1027686032.db2.gz LQZNSBZPQMBQIV-CQSZACIVSA-N 1 2 376.526 3.506 20 30 GHEDLO CSc1nc(C[N@H+]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)ccc1C#N ZINC001141929094 1027686036 /nfs/dbraw/zinc/68/60/36/1027686036.db2.gz LQZNSBZPQMBQIV-CQSZACIVSA-N 1 2 376.526 3.506 20 30 GHEDLO CSc1nc(C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C)ccc1C#N ZINC001141945685 1027726428 /nfs/dbraw/zinc/72/64/28/1027726428.db2.gz IXMUINAAVNKORV-XJKSGUPXSA-N 1 2 376.526 3.553 20 30 GHEDLO CSc1nc(C[N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C)ccc1C#N ZINC001141945685 1027726447 /nfs/dbraw/zinc/72/64/47/1027726447.db2.gz IXMUINAAVNKORV-XJKSGUPXSA-N 1 2 376.526 3.553 20 30 GHEDLO N#Cc1ccc(OC[C@H](O)Cn2c3ccccc3[nH+]c2NCc2ccccc2)cc1 ZINC000301313590 1028281800 /nfs/dbraw/zinc/28/18/00/1028281800.db2.gz FXFUDDRIBVVCAD-HXUWFJFHSA-N 1 2 398.466 3.960 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(Nc3cc(C#N)ccc3F)c[nH+]2)C1 ZINC001214595947 1028812007 /nfs/dbraw/zinc/81/20/07/1028812007.db2.gz FPUKZOHZCWFCBP-MRXNPFEDSA-N 1 2 397.454 3.939 20 30 GHEDLO N#CCCCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1csc(Br)c1 ZINC001276742268 1029670738 /nfs/dbraw/zinc/67/07/38/1029670738.db2.gz AXKFRRLBQXAPJN-KRWDZBQOSA-N 1 2 396.354 3.771 20 30 GHEDLO N#CCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1csc(Br)c1 ZINC001276742268 1029670743 /nfs/dbraw/zinc/67/07/43/1029670743.db2.gz AXKFRRLBQXAPJN-KRWDZBQOSA-N 1 2 396.354 3.771 20 30 GHEDLO N#Cc1ccc2c(C[NH+]3CCN(C(=O)c4cccc(Cl)c4)CC3)c[nH]c2c1 ZINC001142926518 1029702371 /nfs/dbraw/zinc/70/23/71/1029702371.db2.gz TXJPPUOGSNSIGW-UHFFFAOYSA-N 1 2 378.863 3.651 20 30 GHEDLO C=CCOC[C@H]1C[N@@H+](Cc2c(C)cc(OC)cc2C)Cc2nnn(CC3CC3)c21 ZINC001142936928 1029717477 /nfs/dbraw/zinc/71/74/77/1029717477.db2.gz VLDOHRBWCHCYAD-LJQANCHMSA-N 1 2 396.535 3.616 20 30 GHEDLO C=CCOC[C@H]1C[N@H+](Cc2c(C)cc(OC)cc2C)Cc2nnn(CC3CC3)c21 ZINC001142936928 1029717485 /nfs/dbraw/zinc/71/74/85/1029717485.db2.gz VLDOHRBWCHCYAD-LJQANCHMSA-N 1 2 396.535 3.616 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3c(F)ccc(C#N)c3F)CC[C@@H]21 ZINC001143166987 1029878034 /nfs/dbraw/zinc/87/80/34/1029878034.db2.gz OFCBGHMPEOCOGS-YOEHRIQHSA-N 1 2 377.435 3.668 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3c(F)ccc(C#N)c3F)CC[C@@H]21 ZINC001143166987 1029878039 /nfs/dbraw/zinc/87/80/39/1029878039.db2.gz OFCBGHMPEOCOGS-YOEHRIQHSA-N 1 2 377.435 3.668 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@H+](Cc3c(F)ccc(C#N)c3F)C2)C1 ZINC001143167277 1029878860 /nfs/dbraw/zinc/87/88/60/1029878860.db2.gz RYRCJGPNGNVVDL-HXUWFJFHSA-N 1 2 377.435 3.669 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@@H+](Cc3c(F)ccc(C#N)c3F)C2)C1 ZINC001143167277 1029878864 /nfs/dbraw/zinc/87/88/64/1029878864.db2.gz RYRCJGPNGNVVDL-HXUWFJFHSA-N 1 2 377.435 3.669 20 30 GHEDLO Cc1ccc(N2C[C@@]3(CC[N@H+](Cc4c(F)ccc(C#N)c4F)C3)CC2=O)cc1 ZINC001143170492 1029880827 /nfs/dbraw/zinc/88/08/27/1029880827.db2.gz HINXLQIGSKMJFP-QFIPXVFZSA-N 1 2 381.426 3.774 20 30 GHEDLO Cc1ccc(N2C[C@@]3(CC[N@@H+](Cc4c(F)ccc(C#N)c4F)C3)CC2=O)cc1 ZINC001143170492 1029880835 /nfs/dbraw/zinc/88/08/35/1029880835.db2.gz HINXLQIGSKMJFP-QFIPXVFZSA-N 1 2 381.426 3.774 20 30 GHEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(Cl)c(OCC)c(Cl)c1 ZINC001276959831 1030949672 /nfs/dbraw/zinc/94/96/72/1030949672.db2.gz LDWCFZKNRYIFPW-FQEVSTJZSA-N 1 2 395.330 3.982 20 30 GHEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Cl)c(OCC)c(Cl)c1 ZINC001276959831 1030949674 /nfs/dbraw/zinc/94/96/74/1030949674.db2.gz LDWCFZKNRYIFPW-FQEVSTJZSA-N 1 2 395.330 3.982 20 30 GHEDLO N#Cc1csc(C[NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)n1 ZINC001461783296 1069744986 /nfs/dbraw/zinc/74/49/86/1069744986.db2.gz SPKVQNLYBRDRLO-UHFFFAOYSA-N 1 2 392.200 3.966 20 30 GHEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3cc(C#N)c(F)cc3C)CC2)c1 ZINC001220005356 1031742176 /nfs/dbraw/zinc/74/21/76/1031742176.db2.gz DREKVIKYQHXRBL-INIZCTEOSA-N 1 2 396.466 3.925 20 30 GHEDLO N#Cc1cc(O[C@H]2CCC[N@H+](Cc3cnc(Cl)s3)C2)ccc1[N+](=O)[O-] ZINC001229528020 1033540716 /nfs/dbraw/zinc/54/07/16/1033540716.db2.gz UEHKGXIGLYWNQW-ZDUSSCGKSA-N 1 2 378.841 3.620 20 30 GHEDLO N#Cc1cc(O[C@H]2CCC[N@@H+](Cc3cnc(Cl)s3)C2)ccc1[N+](=O)[O-] ZINC001229528020 1033540719 /nfs/dbraw/zinc/54/07/19/1033540719.db2.gz UEHKGXIGLYWNQW-ZDUSSCGKSA-N 1 2 378.841 3.620 20 30 GHEDLO CC(C)Oc1[nH]c2ccc(C#N)cc2c1-c1ccc(C[NH+]2CCOCC2)cn1 ZINC001229569130 1033563126 /nfs/dbraw/zinc/56/31/26/1033563126.db2.gz RVBHZPJKJBBVBX-UHFFFAOYSA-N 1 2 376.460 3.721 20 30 GHEDLO C#CCN1CC2(CCC1=O)CC[NH+](Cc1c(F)cc(Cl)cc1Cl)CC2 ZINC001277418829 1033703600 /nfs/dbraw/zinc/70/36/00/1033703600.db2.gz CYWPWXTXZOUCLQ-UHFFFAOYSA-N 1 2 383.294 3.970 20 30 GHEDLO COc1ccc(C[NH+]2CCOCC2)cc1-c1cccc(C2(C#N)CCOCC2)c1 ZINC001206532888 1033895195 /nfs/dbraw/zinc/89/51/95/1033895195.db2.gz NPIRWHCMEQQEDA-UHFFFAOYSA-N 1 2 392.499 3.766 20 30 GHEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(Br)c(OC)c1 ZINC001276510762 1034120101 /nfs/dbraw/zinc/12/01/01/1034120101.db2.gz MFBJGKGHKDPPQF-IBGZPJMESA-N 1 2 393.325 3.601 20 30 GHEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(Br)c(OC)c1 ZINC001276510762 1034120111 /nfs/dbraw/zinc/12/01/11/1034120111.db2.gz MFBJGKGHKDPPQF-IBGZPJMESA-N 1 2 393.325 3.601 20 30 GHEDLO C=CCN(CC[NH+]1CCN(C/C=C/c2ccccc2)CC1)C(=O)OC(C)(C)C ZINC001207199979 1034170349 /nfs/dbraw/zinc/17/03/49/1034170349.db2.gz WUHBPDYXUFOQST-FMIVXFBMSA-N 1 2 385.552 3.741 20 30 GHEDLO C=CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@]2(CC)c1cccc(Nc2ccc(C)[nH+]c2C)c1 ZINC001203380757 1034212350 /nfs/dbraw/zinc/21/23/50/1034212350.db2.gz NBDBPISOBBOHIO-JHDGKUDLSA-N 1 2 375.472 3.891 20 30 GHEDLO C#CCC1(O)CC[NH+](Cc2cc(Br)cc(C)c2OC(F)F)CC1 ZINC001207293504 1034246945 /nfs/dbraw/zinc/24/69/45/1034246945.db2.gz IGQBTGIVWCYHSI-UHFFFAOYSA-N 1 2 388.252 3.709 20 30 GHEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c(Br)cc(F)c(C)c1F ZINC001276529087 1034332801 /nfs/dbraw/zinc/33/28/01/1034332801.db2.gz BAULNNZTEZWGJF-HZPDHXFCSA-N 1 2 399.279 3.787 20 30 GHEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(Br)cc(F)c(C)c1F ZINC001276529087 1034332815 /nfs/dbraw/zinc/33/28/15/1034332815.db2.gz BAULNNZTEZWGJF-HZPDHXFCSA-N 1 2 399.279 3.787 20 30 GHEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3ccc(O)c(C(F)(F)F)c3)C2)CC1 ZINC001231524049 1034677474 /nfs/dbraw/zinc/67/74/74/1034677474.db2.gz LGJZGGURZZVLLA-UHFFFAOYSA-N 1 2 384.398 3.631 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2c(Br)cccc2OC)C1=O ZINC001277541466 1034763004 /nfs/dbraw/zinc/76/30/04/1034763004.db2.gz YHGWROVKEOSOLA-IBGZPJMESA-N 1 2 393.325 3.601 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2c(Br)cccc2OC)C1=O ZINC001277541466 1034763014 /nfs/dbraw/zinc/76/30/14/1034763014.db2.gz YHGWROVKEOSOLA-IBGZPJMESA-N 1 2 393.325 3.601 20 30 GHEDLO COc1cc(C#N)ccc1C[N@@H+]1CCO[C@@]2(CCCN(c3cccc(C)c3)C2)C1 ZINC001231618604 1034775528 /nfs/dbraw/zinc/77/55/28/1034775528.db2.gz JQGROVKIEDZLMB-DEOSSOPVSA-N 1 2 391.515 3.747 20 30 GHEDLO COc1cc(C#N)ccc1C[N@H+]1CCO[C@@]2(CCCN(c3cccc(C)c3)C2)C1 ZINC001231618604 1034775538 /nfs/dbraw/zinc/77/55/38/1034775538.db2.gz JQGROVKIEDZLMB-DEOSSOPVSA-N 1 2 391.515 3.747 20 30 GHEDLO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cc(Br)ncc1F)C2 ZINC001231916999 1034989160 /nfs/dbraw/zinc/98/91/60/1034989160.db2.gz UTKAKQRMXRPFPY-WMZOPIPTSA-N 1 2 399.304 3.557 20 30 GHEDLO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1cc(Br)ncc1F)C2 ZINC001231916999 1034989164 /nfs/dbraw/zinc/98/91/64/1034989164.db2.gz UTKAKQRMXRPFPY-WMZOPIPTSA-N 1 2 399.304 3.557 20 30 GHEDLO C=CCOC[C@@H]1C[N@@H+](Cc2ccnc(C(C)(C)C)c2)Cc2nnn(CC3CC3)c21 ZINC001232216343 1035166205 /nfs/dbraw/zinc/16/62/05/1035166205.db2.gz ZJHSRJGCCNQFDT-IBGZPJMESA-N 1 2 395.551 3.683 20 30 GHEDLO C=CCOC[C@@H]1C[N@H+](Cc2ccnc(C(C)(C)C)c2)Cc2nnn(CC3CC3)c21 ZINC001232216343 1035166212 /nfs/dbraw/zinc/16/62/12/1035166212.db2.gz ZJHSRJGCCNQFDT-IBGZPJMESA-N 1 2 395.551 3.683 20 30 GHEDLO COCc1c(C)cc(C)c(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1C ZINC001462063532 1069975414 /nfs/dbraw/zinc/97/54/14/1069975414.db2.gz VMQAUIWFYOLVFZ-XLIONFOSSA-N 1 2 387.524 3.607 20 30 GHEDLO N#Cc1cnc(-c2ccc(OCC[NH+]3CCOCC3)cc2F)c2ccccc12 ZINC001244128886 1036384750 /nfs/dbraw/zinc/38/47/50/1036384750.db2.gz BKNUKUNEPFELGE-UHFFFAOYSA-N 1 2 377.419 3.624 20 30 GHEDLO N#Cc1ccnc(C[NH+]2CCN(c3ccc(OCc4ccccc4)cc3)CC2)c1 ZINC001232482841 1038262549 /nfs/dbraw/zinc/26/25/49/1038262549.db2.gz XUBHWPURDSECCN-UHFFFAOYSA-N 1 2 384.483 3.854 20 30 GHEDLO CN1C(=O)[C@H](c2cccnc2)CC12CC[NH+](Cc1ccc(Cl)cc1C#N)CC2 ZINC001232607236 1038390122 /nfs/dbraw/zinc/39/01/22/1038390122.db2.gz GJLZKUFHSNNQRE-FQEVSTJZSA-N 1 2 394.906 3.587 20 30 GHEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2O)C[C@H]1C(F)(F)F ZINC001232677329 1038475821 /nfs/dbraw/zinc/47/58/21/1038475821.db2.gz AYGMVZLDUMRJAI-CABCVRRESA-N 1 2 399.413 3.541 20 30 GHEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2O)C[C@H]1C(F)(F)F ZINC001232677329 1038475829 /nfs/dbraw/zinc/47/58/29/1038475829.db2.gz AYGMVZLDUMRJAI-CABCVRRESA-N 1 2 399.413 3.541 20 30 GHEDLO CCCCCCCC[C@H](O)CNc1ccc(N2CC[NH+](C3COC3)CC2)cc1 ZINC001252131142 1038881954 /nfs/dbraw/zinc/88/19/54/1038881954.db2.gz HGWYEVKONLMVRM-QHCPKHFHSA-N 1 2 389.584 3.731 20 30 GHEDLO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(F)(F)F)C[N@H+](Cc2ccc(C#N)cc2O)C1 ZINC001233387118 1039210803 /nfs/dbraw/zinc/21/08/03/1039210803.db2.gz VOUYKHZDTINIJK-CABCVRRESA-N 1 2 399.413 3.541 20 30 GHEDLO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(F)(F)F)C[N@@H+](Cc2ccc(C#N)cc2O)C1 ZINC001233387118 1039210818 /nfs/dbraw/zinc/21/08/18/1039210818.db2.gz VOUYKHZDTINIJK-CABCVRRESA-N 1 2 399.413 3.541 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1C[C@H](O)CCCCCCCCCC ZINC001252980833 1039308857 /nfs/dbraw/zinc/30/88/57/1039308857.db2.gz ZOYKSEIOEUIGBR-TZIWHRDSSA-N 1 2 392.588 3.809 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1C[C@H](O)CCCCCCCCCC ZINC001252980833 1039308878 /nfs/dbraw/zinc/30/88/78/1039308878.db2.gz ZOYKSEIOEUIGBR-TZIWHRDSSA-N 1 2 392.588 3.809 20 30 GHEDLO CCCCCCCCCC[C@@H](O)C[N@H+]1Cc2nnn(CC)c2[C@@H](COC)C1 ZINC001252979344 1039309642 /nfs/dbraw/zinc/30/96/42/1039309642.db2.gz KPWRKSCKGYIHEO-RTBURBONSA-N 1 2 380.577 3.735 20 30 GHEDLO CCCCCCCCCC[C@@H](O)C[N@@H+]1Cc2nnn(CC)c2[C@@H](COC)C1 ZINC001252979344 1039309660 /nfs/dbraw/zinc/30/96/60/1039309660.db2.gz KPWRKSCKGYIHEO-RTBURBONSA-N 1 2 380.577 3.735 20 30 GHEDLO Cc1ccc(C[NH+]2CCN(c3nccnc3C#N)CC2)c(OCc2ccccc2)c1 ZINC001233638284 1039501896 /nfs/dbraw/zinc/50/18/96/1039501896.db2.gz BYNHBSJHDAPMOH-UHFFFAOYSA-N 1 2 399.498 3.558 20 30 GHEDLO N#Cc1c(F)cccc1C[NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC001462509447 1070312658 /nfs/dbraw/zinc/31/26/58/1070312658.db2.gz RTXMZZLSQRCXTE-QGZVFWFLSA-N 1 2 377.341 3.611 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@H+](Cc3c(F)cc(C#N)cc3F)C2)C1 ZINC001235652243 1041095709 /nfs/dbraw/zinc/09/57/09/1041095709.db2.gz UQJXQMRXCXIMQZ-FQEVSTJZSA-N 1 2 377.435 3.669 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@@H+](Cc3c(F)cc(C#N)cc3F)C2)C1 ZINC001235652243 1041095727 /nfs/dbraw/zinc/09/57/27/1041095727.db2.gz UQJXQMRXCXIMQZ-FQEVSTJZSA-N 1 2 377.435 3.669 20 30 GHEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1[C@@H](C)CSc1ccc(C)cc1 ZINC001255765583 1041280192 /nfs/dbraw/zinc/28/01/92/1041280192.db2.gz LWGXJJQZQFIQQM-PXNSSMCTSA-N 1 2 386.565 3.889 20 30 GHEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1[C@@H](C)CSc1ccc(C)cc1 ZINC001255765583 1041280205 /nfs/dbraw/zinc/28/02/05/1041280205.db2.gz LWGXJJQZQFIQQM-PXNSSMCTSA-N 1 2 386.565 3.889 20 30 GHEDLO N#Cc1cc(C[N@@H+]2CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C2)c(F)cc1F ZINC001237527998 1042251722 /nfs/dbraw/zinc/25/17/22/1042251722.db2.gz OBMSTMQGDUGUMR-SIKLNZKXSA-N 1 2 399.441 3.572 20 30 GHEDLO N#Cc1cc(C[N@H+]2CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C2)c(F)cc1F ZINC001237527998 1042251728 /nfs/dbraw/zinc/25/17/28/1042251728.db2.gz OBMSTMQGDUGUMR-SIKLNZKXSA-N 1 2 399.441 3.572 20 30 GHEDLO N#Cc1cccc(N2C[C@]3(CC[N@@H+](Cc4cc(Cl)cc(F)c4O)C3)CC2=O)c1 ZINC001237618728 1042284838 /nfs/dbraw/zinc/28/48/38/1042284838.db2.gz KLXVRIMWYJLIJE-OAQYLSRUSA-N 1 2 399.853 3.685 20 30 GHEDLO N#Cc1cccc(N2C[C@]3(CC[N@H+](Cc4cc(Cl)cc(F)c4O)C3)CC2=O)c1 ZINC001237618728 1042284842 /nfs/dbraw/zinc/28/48/42/1042284842.db2.gz KLXVRIMWYJLIJE-OAQYLSRUSA-N 1 2 399.853 3.685 20 30 GHEDLO N#CC1(c2ccccc2)CC[NH+](Cc2c[nH]c3ncc(Br)nc23)CC1 ZINC001237847051 1042395707 /nfs/dbraw/zinc/39/57/07/1042395707.db2.gz QVVYAFGSHDWHRW-UHFFFAOYSA-N 1 2 396.292 3.778 20 30 GHEDLO N#Cc1cccc(O[C@H]2CCC[N@@H+](Cc3scnc3Br)C2)c1 ZINC001238032434 1042467237 /nfs/dbraw/zinc/46/72/37/1042467237.db2.gz KVFLTMTWHWFJNE-AWEZNQCLSA-N 1 2 378.295 3.821 20 30 GHEDLO N#Cc1cccc(O[C@H]2CCC[N@H+](Cc3scnc3Br)C2)c1 ZINC001238032434 1042467242 /nfs/dbraw/zinc/46/72/42/1042467242.db2.gz KVFLTMTWHWFJNE-AWEZNQCLSA-N 1 2 378.295 3.821 20 30 GHEDLO COc1cc(C[N@@H+]2CCO[C@@]3(CCCN(c4cccc(C)c4)C3)C2)ccc1C#N ZINC001238405834 1042586232 /nfs/dbraw/zinc/58/62/32/1042586232.db2.gz JMONAMDWSMLNAP-DEOSSOPVSA-N 1 2 391.515 3.747 20 30 GHEDLO COc1cc(C[N@H+]2CCO[C@@]3(CCCN(c4cccc(C)c4)C3)C2)ccc1C#N ZINC001238405834 1042586233 /nfs/dbraw/zinc/58/62/33/1042586233.db2.gz JMONAMDWSMLNAP-DEOSSOPVSA-N 1 2 391.515 3.747 20 30 GHEDLO COc1cc(CN2CC[N@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)ccc1C#N ZINC001238415117 1042588857 /nfs/dbraw/zinc/58/88/57/1042588857.db2.gz FFAXOENMFNVSPR-HXUWFJFHSA-N 1 2 389.421 3.816 20 30 GHEDLO COc1cc(CN2CC[N@@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)ccc1C#N ZINC001238415117 1042588861 /nfs/dbraw/zinc/58/88/61/1042588861.db2.gz FFAXOENMFNVSPR-HXUWFJFHSA-N 1 2 389.421 3.816 20 30 GHEDLO C=CCOC[C@@H]1C[N@@H+](Cc2cc(C)c(C)cc2OC)Cc2nnn(CC3CC3)c21 ZINC001238757311 1042716361 /nfs/dbraw/zinc/71/63/61/1042716361.db2.gz PZFASVKAFAZNMM-FQEVSTJZSA-N 1 2 396.535 3.616 20 30 GHEDLO C=CCOC[C@@H]1C[N@H+](Cc2cc(C)c(C)cc2OC)Cc2nnn(CC3CC3)c21 ZINC001238757311 1042716364 /nfs/dbraw/zinc/71/63/64/1042716364.db2.gz PZFASVKAFAZNMM-FQEVSTJZSA-N 1 2 396.535 3.616 20 30 GHEDLO N#Cc1cccc(NC(=S)Nc2ccc(O[C@@H]3CC[NH2+]CC3(F)F)cc2)c1 ZINC001239352416 1042812465 /nfs/dbraw/zinc/81/24/65/1042812465.db2.gz SOMJJACVEZXMJU-QGZVFWFLSA-N 1 2 388.443 3.743 20 30 GHEDLO COC(=O)[C@H](Cc1ccc(C)cn1)[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257016043 1043800594 /nfs/dbraw/zinc/80/05/94/1043800594.db2.gz SEKJUOHZJVBBJM-AOMIVXANSA-N 1 2 377.488 3.662 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@H]([C@H]2CCCO2)C1 ZINC001262977809 1046462201 /nfs/dbraw/zinc/46/22/01/1046462201.db2.gz OPJVFPBEMOMOTE-SESVDKBCSA-N 1 2 395.551 3.662 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@H]([C@H]2CCCO2)C1 ZINC001262977809 1046462203 /nfs/dbraw/zinc/46/22/03/1046462203.db2.gz OPJVFPBEMOMOTE-SESVDKBCSA-N 1 2 395.551 3.662 20 30 GHEDLO CC(C)Cn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@@](F)(C#N)C1 ZINC001263418067 1046800747 /nfs/dbraw/zinc/80/07/47/1046800747.db2.gz VBZUMUGMTRDZLH-DYESRHJHSA-N 1 2 384.503 3.569 20 30 GHEDLO CC(C)Cn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@@](F)(C#N)C1 ZINC001263418067 1046800771 /nfs/dbraw/zinc/80/07/71/1046800771.db2.gz VBZUMUGMTRDZLH-DYESRHJHSA-N 1 2 384.503 3.569 20 30 GHEDLO C=CC[C@@H]1N(c2nnc([C@H]3CCC[N@H+]3C)n2C[C@H]2CCOC2)CCCC1(C)C ZINC001263570687 1046955970 /nfs/dbraw/zinc/95/59/70/1046955970.db2.gz IAHYGHYSLFFIDL-QRVBRYPASA-N 1 2 387.572 3.652 20 30 GHEDLO C=CC[C@@H]1N(c2nnc([C@H]3CCC[N@@H+]3C)n2C[C@H]2CCOC2)CCCC1(C)C ZINC001263570687 1046955972 /nfs/dbraw/zinc/95/59/72/1046955972.db2.gz IAHYGHYSLFFIDL-QRVBRYPASA-N 1 2 387.572 3.652 20 30 GHEDLO C#CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1CCCNc1cccc[nH+]1 ZINC001286364080 1048289937 /nfs/dbraw/zinc/28/99/37/1048289937.db2.gz YFMXVANFTAYZNS-FQEVSTJZSA-N 1 2 388.519 3.787 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC2(CC)CC2)CC1 ZINC001286473631 1048335749 /nfs/dbraw/zinc/33/57/49/1048335749.db2.gz VJXSBMXEUMPSDF-OAQYLSRUSA-N 1 2 391.563 3.765 20 30 GHEDLO C#C[C@]1(C)CCCN1c1nnc(-c2cccn2C)n1CCCc1cccc(C)[nH+]1 ZINC001286519762 1048346406 /nfs/dbraw/zinc/34/64/06/1048346406.db2.gz JXPJWCYWDLNVBM-HSZRJFAPSA-N 1 2 388.519 3.612 20 30 GHEDLO C=CCCCCn1c(-c2ccc[nH]2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001286684611 1048446102 /nfs/dbraw/zinc/44/61/02/1048446102.db2.gz JXHGLVZGDRRVSG-UHFFFAOYSA-N 1 2 391.523 3.653 20 30 GHEDLO CC[C@H]1Cc2c(Br)cccc2C[N@@H+]1CC(=O)N(CC)C[C@@H](C)C#N ZINC001307725335 1049539755 /nfs/dbraw/zinc/53/97/55/1049539755.db2.gz NUEQYHIFRSUVPI-HOCLYGCPSA-N 1 2 392.341 3.594 20 30 GHEDLO CC[C@H]1Cc2c(Br)cccc2C[N@H+]1CC(=O)N(CC)C[C@@H](C)C#N ZINC001307725335 1049539766 /nfs/dbraw/zinc/53/97/66/1049539766.db2.gz NUEQYHIFRSUVPI-HOCLYGCPSA-N 1 2 392.341 3.594 20 30 GHEDLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC001307987494 1049741482 /nfs/dbraw/zinc/74/14/82/1049741482.db2.gz NPZZVFSBTIIRGW-IUODEOHRSA-N 1 2 381.423 3.647 20 30 GHEDLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC001307987494 1049741491 /nfs/dbraw/zinc/74/14/91/1049741491.db2.gz NPZZVFSBTIIRGW-IUODEOHRSA-N 1 2 381.423 3.647 20 30 GHEDLO Cc1cn2c([nH+]1)[C@H](Cn1c(-c3ccccc3)nnc1N(C)[C@H](C)CC#N)CCC2 ZINC001290288095 1049791311 /nfs/dbraw/zinc/79/13/11/1049791311.db2.gz WQQOLXBNSWNINK-MJGOQNOKSA-N 1 2 389.507 3.766 20 30 GHEDLO Cc1cn2c([nH+]1)[C@H](Cn1c(-c3ccccc3)nnc1N(C)[C@@H](C)CC#N)CCC2 ZINC001290288093 1049791536 /nfs/dbraw/zinc/79/15/36/1049791536.db2.gz WQQOLXBNSWNINK-HKUYNNGSSA-N 1 2 389.507 3.766 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@H](Nc2ccccc2)C1 ZINC001339528337 1050897101 /nfs/dbraw/zinc/89/71/01/1050897101.db2.gz IWDNLYWNPNTOMT-VQTJNVASSA-N 1 2 380.540 3.702 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@H](Nc2ccccc2)C1 ZINC001339528337 1050897117 /nfs/dbraw/zinc/89/71/17/1050897117.db2.gz IWDNLYWNPNTOMT-VQTJNVASSA-N 1 2 380.540 3.702 20 30 GHEDLO C=CCn1c(=S)n(C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)nc1-c1cccnc1 ZINC001330058530 1050948454 /nfs/dbraw/zinc/94/84/54/1050948454.db2.gz BSEXACKRLKNCDP-OALUTQOASA-N 1 2 399.564 3.901 20 30 GHEDLO C=CCn1c(=S)n(C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)nc1-c1cccnc1 ZINC001330058530 1050948466 /nfs/dbraw/zinc/94/84/66/1050948466.db2.gz BSEXACKRLKNCDP-OALUTQOASA-N 1 2 399.564 3.901 20 30 GHEDLO CC1(C)COCC[N@@H+]1CCNC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC001310605599 1051481220 /nfs/dbraw/zinc/48/12/20/1051481220.db2.gz TVXYIDMRADVFDH-UHFFFAOYSA-N 1 2 394.475 3.583 20 30 GHEDLO CC1(C)COCC[N@H+]1CCNC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC001310605599 1051481244 /nfs/dbraw/zinc/48/12/44/1051481244.db2.gz TVXYIDMRADVFDH-UHFFFAOYSA-N 1 2 394.475 3.583 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 ZINC001342977182 1053474030 /nfs/dbraw/zinc/47/40/30/1053474030.db2.gz CNELXKUUZFQEOX-VQTJNVASSA-N 1 2 399.514 3.728 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 ZINC001342977182 1053474037 /nfs/dbraw/zinc/47/40/37/1053474037.db2.gz CNELXKUUZFQEOX-VQTJNVASSA-N 1 2 399.514 3.728 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC(Cc2nccs2)CC1 ZINC001343458029 1053783835 /nfs/dbraw/zinc/78/38/35/1053783835.db2.gz URGFWPZLXYLXGT-QGZVFWFLSA-N 1 2 386.569 3.537 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC(Cc2nccs2)CC1 ZINC001343458029 1053783848 /nfs/dbraw/zinc/78/38/48/1053783848.db2.gz URGFWPZLXYLXGT-QGZVFWFLSA-N 1 2 386.569 3.537 20 30 GHEDLO CC(C)Cn1c([C@H]2C[C@@H]2C#N)nnc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC001343559274 1053880097 /nfs/dbraw/zinc/88/00/97/1053880097.db2.gz SBECLDKWOJOLIR-MSOLQXFVSA-N 1 2 398.942 3.537 20 30 GHEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1Cc2ccccc2[C@H]1CC ZINC001343580272 1053904188 /nfs/dbraw/zinc/90/41/88/1053904188.db2.gz CHSJZMLRMMWQJJ-OAQYLSRUSA-N 1 2 395.551 3.530 20 30 GHEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC001343771990 1054013773 /nfs/dbraw/zinc/01/37/73/1054013773.db2.gz IFMXLPQWVZHMRY-UXHICEINSA-N 1 2 387.572 3.626 20 30 GHEDLO C#CCN(C)c1nnc(CC2CCCC2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001300469890 1056207758 /nfs/dbraw/zinc/20/77/58/1056207758.db2.gz CJZYDDYIFOFTBJ-UHFFFAOYSA-N 1 2 392.551 3.514 20 30 GHEDLO CC[C@@H]1CCCN1c1nnc(C2CC[NH+](CCC#N)CC2)n1Cc1ccccc1 ZINC001354330942 1056535218 /nfs/dbraw/zinc/53/52/18/1056535218.db2.gz SZCATEVKXNCIMU-OAQYLSRUSA-N 1 2 392.551 3.798 20 30 GHEDLO C#CCN(CC)c1nnc([C@H](C)CC)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001300597258 1056595016 /nfs/dbraw/zinc/59/50/16/1056595016.db2.gz ADWXQQBGWPPONC-GOSISDBHSA-N 1 2 380.540 3.685 20 30 GHEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC[C@@H]1c1cccs1 ZINC001355886407 1057304973 /nfs/dbraw/zinc/30/49/73/1057304973.db2.gz GIXOKUWHLQFYDT-IAGOWNOFSA-N 1 2 387.553 3.649 20 30 GHEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC[C@@H]1c1cccs1 ZINC001355886407 1057304978 /nfs/dbraw/zinc/30/49/78/1057304978.db2.gz GIXOKUWHLQFYDT-IAGOWNOFSA-N 1 2 387.553 3.649 20 30 GHEDLO C=CCn1c(-c2ccco2)nnc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001337981152 1058356544 /nfs/dbraw/zinc/35/65/44/1058356544.db2.gz ZYOGOAHDFOUSNH-UHFFFAOYSA-N 1 2 383.883 3.700 20 30 GHEDLO N#Cc1cc(Cl)c(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c(Cl)c1 ZINC001440615560 1058547678 /nfs/dbraw/zinc/54/76/78/1058547678.db2.gz SNGOSVZKONLVBL-UHFFFAOYSA-N 1 2 390.270 3.950 20 30 GHEDLO CCN(C(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC001442216256 1058933761 /nfs/dbraw/zinc/93/37/61/1058933761.db2.gz QAEUEZSHUOVQCR-VGSWGCGISA-N 1 2 377.488 3.751 20 30 GHEDLO CCN(C(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC001442216256 1058933770 /nfs/dbraw/zinc/93/37/70/1058933770.db2.gz QAEUEZSHUOVQCR-VGSWGCGISA-N 1 2 377.488 3.751 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2Cc2ccccc2)nnc1N1CC[C@@H](C)[C@@H]1C ZINC001339091458 1058956123 /nfs/dbraw/zinc/95/61/23/1058956123.db2.gz UQBXZQDXSKNGHF-MSOLQXFVSA-N 1 2 376.508 3.534 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)Cc1cc2ccccc2o1 ZINC001339501415 1059258821 /nfs/dbraw/zinc/25/88/21/1059258821.db2.gz QXCXFHGCPQVAAK-UHFFFAOYSA-N 1 2 392.507 3.774 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCCC[C@H](COC)C1 ZINC001339773438 1059458979 /nfs/dbraw/zinc/45/89/79/1059458979.db2.gz AOCHEOOUCHMSNJ-FPOVZHCZSA-N 1 2 397.567 3.910 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCCC[C@H](COC)C1 ZINC001339773438 1059458988 /nfs/dbraw/zinc/45/89/88/1059458988.db2.gz AOCHEOOUCHMSNJ-FPOVZHCZSA-N 1 2 397.567 3.910 20 30 GHEDLO C[C@H]1CN(c2nnc(C3CC[NH+](CCC#N)CC3)n2Cc2ccccc2)C[C@H]1C ZINC001342161842 1061096669 /nfs/dbraw/zinc/09/66/69/1061096669.db2.gz CKYXXSWZPLDJEW-KDURUIRLSA-N 1 2 392.551 3.512 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@H]([C@H]2CCCCO2)C1 ZINC001342225965 1061154132 /nfs/dbraw/zinc/15/41/32/1061154132.db2.gz SJZDQUMVBMXPOW-SLFFLAALSA-N 1 2 387.572 3.797 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@H]([C@H]2CCCCO2)C1 ZINC001342225965 1061154138 /nfs/dbraw/zinc/15/41/38/1061154138.db2.gz SJZDQUMVBMXPOW-SLFFLAALSA-N 1 2 387.572 3.797 20 30 GHEDLO Cn1c[nH+]cc1C1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 ZINC001346490947 1061605386 /nfs/dbraw/zinc/60/53/86/1061605386.db2.gz XIGPBADCBRLBQZ-UHFFFAOYSA-N 1 2 393.369 3.602 20 30 GHEDLO N#CCC[NH+]1CCC(c2nnc(N3CCC[C@@H]4CCC[C@H]43)n2CC2CC2)CC1 ZINC001346602810 1061722220 /nfs/dbraw/zinc/72/22/20/1061722220.db2.gz RDYLVIAEBHJSLE-AZUAARDMSA-N 1 2 382.556 3.550 20 30 GHEDLO CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC001350055925 1063975103 /nfs/dbraw/zinc/97/51/03/1063975103.db2.gz CORKTMQCAXCFAV-PMACEKPBSA-N 1 2 389.503 3.598 20 30 GHEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N(Cc1cccc(F)c1)C1CCC1 ZINC001350723456 1064173161 /nfs/dbraw/zinc/17/31/61/1064173161.db2.gz BFGPYDXWYUAQMR-UHFFFAOYSA-N 1 2 396.514 3.606 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(CCCOc2ccc(C#N)cc2)[C@H](C)C1 ZINC001460007501 1064339967 /nfs/dbraw/zinc/33/99/67/1064339967.db2.gz RJOZXELCBQJUQK-HXUWFJFHSA-N 1 2 393.531 3.932 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(CCCOc2ccc(C#N)cc2)[C@H](C)C1 ZINC001460007501 1064339977 /nfs/dbraw/zinc/33/99/77/1064339977.db2.gz RJOZXELCBQJUQK-HXUWFJFHSA-N 1 2 393.531 3.932 20 30 GHEDLO C#C[C@H](C)N(C)c1nnc(-c2ccccc2C)n1CCc1cn2ccccc2[nH+]1 ZINC001300292009 1065938636 /nfs/dbraw/zinc/93/86/36/1065938636.db2.gz HUJVXOSEMRQXBB-SFHVURJKSA-N 1 2 384.487 3.602 20 30 GHEDLO C#C[C@@H]1CCCN(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC001467629523 1067391379 /nfs/dbraw/zinc/39/13/79/1067391379.db2.gz IGKYPWJLZQPGOI-CRAIPNDOSA-N 1 2 377.891 3.671 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2C[C@@H](C)Sc2ccccc2)CC1 ZINC001359029068 1067659664 /nfs/dbraw/zinc/65/96/64/1067659664.db2.gz NYFKEORZYSIEFV-RTBURBONSA-N 1 2 397.592 3.728 20 30 GHEDLO C=C1CCN(c2nnc(Cc3ccccc3C)n2Cc2c[nH+]ccc2OC)CC1 ZINC001359166440 1067720385 /nfs/dbraw/zinc/72/03/85/1067720385.db2.gz RUZBPMFXVWGHDH-UHFFFAOYSA-N 1 2 389.503 3.786 20 30 GHEDLO C=CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1c[nH+]ccc1OC ZINC001359241775 1067851838 /nfs/dbraw/zinc/85/18/38/1067851838.db2.gz CPXXGFSUXOZTLW-UHFFFAOYSA-N 1 2 383.883 3.596 20 30 GHEDLO N#CC[C@@H](C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1)c1ccccc1 ZINC001359969820 1068284919 /nfs/dbraw/zinc/28/49/19/1068284919.db2.gz VNQYNXCSLXGKMX-LJQANCHMSA-N 1 2 398.470 3.959 20 30 GHEDLO C[N@@H+](Cc1c(F)ccc(Br)c1F)C[C@H](O)c1cccc(C#N)c1 ZINC001460355466 1068938298 /nfs/dbraw/zinc/93/82/98/1068938298.db2.gz HRAKRWHNZAWIGQ-INIZCTEOSA-N 1 2 381.220 3.764 20 30 GHEDLO C[N@H+](Cc1c(F)ccc(Br)c1F)C[C@H](O)c1cccc(C#N)c1 ZINC001460355466 1068938300 /nfs/dbraw/zinc/93/83/00/1068938300.db2.gz HRAKRWHNZAWIGQ-INIZCTEOSA-N 1 2 381.220 3.764 20 30 GHEDLO COC(=O)[C@@]1([NH2+]CCC(=O)Nc2ccc(C#N)c(Cl)c2)CCCC(C)(C)C1 ZINC001460471524 1068972802 /nfs/dbraw/zinc/97/28/02/1068972802.db2.gz UEJQNFKSPDKUFO-HXUWFJFHSA-N 1 2 391.899 3.642 20 30 GHEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1C ZINC001460613462 1069031590 /nfs/dbraw/zinc/03/15/90/1069031590.db2.gz XOCDDZBEDNERKE-RDTXWAMCSA-N 1 2 392.341 3.903 20 30 GHEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1c1ccc(Br)cc1C ZINC001460613462 1069031601 /nfs/dbraw/zinc/03/16/01/1069031601.db2.gz XOCDDZBEDNERKE-RDTXWAMCSA-N 1 2 392.341 3.903 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCO[C@@H](c2ccccc2)CC1 ZINC001460952024 1069294021 /nfs/dbraw/zinc/29/40/21/1069294021.db2.gz SLNWBPGPBARKII-DNVCBOLYSA-N 1 2 395.528 3.899 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCO[C@@H](c2ccccc2)CC1 ZINC001460952024 1069294034 /nfs/dbraw/zinc/29/40/34/1069294034.db2.gz SLNWBPGPBARKII-DNVCBOLYSA-N 1 2 395.528 3.899 20 30 GHEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)C1 ZINC001471336361 1073025387 /nfs/dbraw/zinc/02/53/87/1073025387.db2.gz KVCWVXUILSOYCJ-APWZRJJASA-N 1 2 399.926 3.551 20 30 GHEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)C1 ZINC001471336361 1073025392 /nfs/dbraw/zinc/02/53/92/1073025392.db2.gz KVCWVXUILSOYCJ-APWZRJJASA-N 1 2 399.926 3.551 20 30 GHEDLO CC[C@@]1(C(=O)OC(C)(C)C)CCC[N@@H+]([C@@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC001473847251 1074172746 /nfs/dbraw/zinc/17/27/46/1074172746.db2.gz FSFIWKBPPMXYKG-XMSQKQJNSA-N 1 2 386.492 3.606 20 30 GHEDLO CC[C@@]1(C(=O)OC(C)(C)C)CCC[N@H+]([C@@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC001473847251 1074172749 /nfs/dbraw/zinc/17/27/49/1074172749.db2.gz FSFIWKBPPMXYKG-XMSQKQJNSA-N 1 2 386.492 3.606 20 30 GHEDLO COc1cc(C[NH2+]Cc2cc(Cl)cc(Br)c2O)ccc1C#N ZINC001474137721 1074273578 /nfs/dbraw/zinc/27/35/78/1074273578.db2.gz KYUWUMNBGULVFW-UHFFFAOYSA-N 1 2 381.657 3.978 20 30 GHEDLO C#Cc1cccc(C[NH2+]Cc2c(Br)cncc2Br)c1 ZINC001474178528 1074285074 /nfs/dbraw/zinc/28/50/74/1074285074.db2.gz IRJLASREOMMTGP-UHFFFAOYSA-N 1 2 380.083 3.878 20 30 GHEDLO C#CCOc1cccc(Cl)c1CNC[C@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC001474240660 1074306093 /nfs/dbraw/zinc/30/60/93/1074306093.db2.gz MAKATJOFAHKSCK-FQEVSTJZSA-N 1 2 398.934 3.651 20 30 GHEDLO C#CCOc1cccc(Cl)c1CNC[C@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC001474240660 1074306098 /nfs/dbraw/zinc/30/60/98/1074306098.db2.gz MAKATJOFAHKSCK-FQEVSTJZSA-N 1 2 398.934 3.651 20 30 GHEDLO C=CCCCS(=O)(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC001474841829 1074588220 /nfs/dbraw/zinc/58/82/20/1074588220.db2.gz HIYHPKSNTDUKAW-IBGZPJMESA-N 1 2 390.574 3.733 20 30 GHEDLO C=CCCCS(=O)(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC001474841829 1074588226 /nfs/dbraw/zinc/58/82/26/1074588226.db2.gz HIYHPKSNTDUKAW-IBGZPJMESA-N 1 2 390.574 3.733 20 30 GHEDLO C[C@H](c1ccccc1)[NH+]1CCN(S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC001475626130 1074930081 /nfs/dbraw/zinc/93/00/81/1074930081.db2.gz SLNJYEOEFLXDFQ-GOSISDBHSA-N 1 2 397.544 3.555 20 30 GHEDLO Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000826304654 608441937 /nfs/dbraw/zinc/44/19/37/608441937.db2.gz TUCROKLWHFXLGJ-UHFFFAOYSA-N 1 2 393.454 3.889 20 30 GHEDLO N#CCCN(CCC#N)C(=O)C[NH+]1CCC(c2c(Cl)cccc2Cl)CC1 ZINC000583716509 834925599 /nfs/dbraw/zinc/92/55/99/834925599.db2.gz FUIBJLNOHSLZRD-UHFFFAOYSA-N 1 2 393.318 3.829 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H](c3ccccc3)C3CCC3)CC2)cc1 ZINC000511301230 835098086 /nfs/dbraw/zinc/09/80/86/835098086.db2.gz PTYBBQPQTQEDRR-QHCPKHFHSA-N 1 2 388.515 3.927 20 30 GHEDLO C=CC[N@@H+](CC(=O)NCCSc1ccc(C)cc1)Cc1cccc(C#N)c1 ZINC000063300574 835756031 /nfs/dbraw/zinc/75/60/31/835756031.db2.gz GUGPKXYKUDRDOW-UHFFFAOYSA-N 1 2 379.529 3.763 20 30 GHEDLO C=CC[N@H+](CC(=O)NCCSc1ccc(C)cc1)Cc1cccc(C#N)c1 ZINC000063300574 835756039 /nfs/dbraw/zinc/75/60/39/835756039.db2.gz GUGPKXYKUDRDOW-UHFFFAOYSA-N 1 2 379.529 3.763 20 30 GHEDLO COc1c(C)c[nH+]c(CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1C ZINC000102724012 835822384 /nfs/dbraw/zinc/82/23/84/835822384.db2.gz AUSBCTDTEDJWCS-UHFFFAOYSA-N 1 2 391.427 3.681 20 30 GHEDLO Cc1cc(N2CCC[C@H]([NH+]3CCC(F)(C#N)CC3)C2=O)ccc1Br ZINC000510949994 844238222 /nfs/dbraw/zinc/23/82/22/844238222.db2.gz KIMUYLUSAJEJIS-INIZCTEOSA-N 1 2 394.288 3.581 20 30 GHEDLO C[N@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)/C=C/c1cccc(C#N)c1)CC2 ZINC000275602628 837854690 /nfs/dbraw/zinc/85/46/90/837854690.db2.gz ICFYUNDZXJABLA-UEKDZROGSA-N 1 2 392.528 3.541 20 30 GHEDLO C[N@@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)/C=C/c1cccc(C#N)c1)CC2 ZINC000275602628 837854700 /nfs/dbraw/zinc/85/47/00/837854700.db2.gz ICFYUNDZXJABLA-UEKDZROGSA-N 1 2 392.528 3.541 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(OCC2CCCC2)CC1 ZINC000177501194 837965511 /nfs/dbraw/zinc/96/55/11/837965511.db2.gz HKCJPMVZZRMIEZ-UHFFFAOYSA-N 1 2 375.900 3.821 20 30 GHEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000579059719 838309933 /nfs/dbraw/zinc/30/99/33/838309933.db2.gz JXWWFNIKMDPONO-UHFFFAOYSA-N 1 2 394.862 3.871 20 30 GHEDLO COCCN(CCC#N)c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000153946385 838790153 /nfs/dbraw/zinc/79/01/53/838790153.db2.gz RKERRKNUYKGYKG-UHFFFAOYSA-N 1 2 395.532 3.786 20 30 GHEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)N[C@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000610406508 839133647 /nfs/dbraw/zinc/13/36/47/839133647.db2.gz CGIUWCCQTAYGPF-MSOLQXFVSA-N 1 2 392.503 3.716 20 30 GHEDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(-n2cccn2)c(F)c1 ZINC000549832493 844412821 /nfs/dbraw/zinc/41/28/21/844412821.db2.gz GENODZFMXRGKJA-CQSZACIVSA-N 1 2 388.406 3.784 20 30 GHEDLO CN(C)c1c(Cl)cccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000511571398 839470479 /nfs/dbraw/zinc/47/04/79/839470479.db2.gz HECQRAZUYOUSPI-UHFFFAOYSA-N 1 2 397.910 3.627 20 30 GHEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](C[C@@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000759865783 840262487 /nfs/dbraw/zinc/26/24/87/840262487.db2.gz MUHIFJMBICPERL-WOJBJXKFSA-N 1 2 391.849 3.534 20 30 GHEDLO CC(C)[C@@H]1C(=O)NCCN1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000330228286 840293343 /nfs/dbraw/zinc/29/33/43/840293343.db2.gz CJUMGMYVRVFSKY-GOSISDBHSA-N 1 2 381.480 3.729 20 30 GHEDLO C=C[C@](C)(O)CC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000431911560 840324674 /nfs/dbraw/zinc/32/46/74/840324674.db2.gz FLIOOFWCMYLFCM-NRFANRHFSA-N 1 2 388.508 3.526 20 30 GHEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)CSCc1ccc(C#N)cc1 ZINC000126061029 840404356 /nfs/dbraw/zinc/40/43/56/840404356.db2.gz OLNGCSHINXEVJW-UHFFFAOYSA-N 1 2 395.528 3.571 20 30 GHEDLO CC[N@@H+]1CC[C@@H](Nc2nccc(C#N)c2Cl)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000561268034 840490244 /nfs/dbraw/zinc/49/02/44/840490244.db2.gz QGAXNUJTOBJWOB-PBHICJAKSA-N 1 2 380.801 3.693 20 30 GHEDLO CC[N@H+]1CC[C@@H](Nc2nccc(C#N)c2Cl)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000561268034 840490252 /nfs/dbraw/zinc/49/02/52/840490252.db2.gz QGAXNUJTOBJWOB-PBHICJAKSA-N 1 2 380.801 3.693 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000330235444 841038224 /nfs/dbraw/zinc/03/82/24/841038224.db2.gz GXOZKQKDYIALQK-ZDUSSCGKSA-N 1 2 383.521 3.750 20 30 GHEDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000473030621 841044396 /nfs/dbraw/zinc/04/43/96/841044396.db2.gz YJNDYGOFKWCCQT-OALUTQOASA-N 1 2 397.519 3.722 20 30 GHEDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000473030621 841044402 /nfs/dbraw/zinc/04/44/02/841044402.db2.gz YJNDYGOFKWCCQT-OALUTQOASA-N 1 2 397.519 3.722 20 30 GHEDLO C=CC[C@H]1CCCC[C@@H]1NC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000660292697 841230499 /nfs/dbraw/zinc/23/04/99/841230499.db2.gz KNKVXLOYLBOFGU-RXVVDRJESA-N 1 2 398.551 3.524 20 30 GHEDLO C=CC[N@H+](CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1)[C@@H](C)COC ZINC000661246645 841570368 /nfs/dbraw/zinc/57/03/68/841570368.db2.gz JMAYQLOCEMDVDR-RDJZCZTQSA-N 1 2 387.505 3.542 20 30 GHEDLO C=CC[N@@H+](CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1)[C@@H](C)COC ZINC000661246645 841570376 /nfs/dbraw/zinc/57/03/76/841570376.db2.gz JMAYQLOCEMDVDR-RDJZCZTQSA-N 1 2 387.505 3.542 20 30 GHEDLO Cc1cn2cc(NC(=O)CN3C(=O)N[C@]4(C[C@H](C)CC(C)(C)C4)C3=O)ccc2[nH+]1 ZINC000328828121 842350546 /nfs/dbraw/zinc/35/05/46/842350546.db2.gz JUBSXICPGJVXAJ-ASSNKEHSSA-N 1 2 397.479 3.572 20 30 GHEDLO CSc1ccccc1NC(=O)[C@H](C)O[NH+]=C(N)Cc1ccccc1Cl ZINC000097571169 842573931 /nfs/dbraw/zinc/57/39/31/842573931.db2.gz NBNSXADUCJXNQW-LBPRGKRZSA-N 1 2 377.897 3.920 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000512165683 842704894 /nfs/dbraw/zinc/70/48/94/842704894.db2.gz HMHFOWCOZRHWNT-IBGZPJMESA-N 1 2 392.858 3.748 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000512165683 842704900 /nfs/dbraw/zinc/70/49/00/842704900.db2.gz HMHFOWCOZRHWNT-IBGZPJMESA-N 1 2 392.858 3.748 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1cccc2ncccc21 ZINC000512187542 842837413 /nfs/dbraw/zinc/83/74/13/842837413.db2.gz QYWHWEMQPWBDAF-MRXNPFEDSA-N 1 2 379.460 3.725 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1cccc2ncccc21 ZINC000512187542 842837425 /nfs/dbraw/zinc/83/74/25/842837425.db2.gz QYWHWEMQPWBDAF-MRXNPFEDSA-N 1 2 379.460 3.725 20 30 GHEDLO C=CCn1c(SCC[N@@H+]2CCO[C@H](C)C2)nnc1-c1ccc(Cl)cc1 ZINC000188246822 842847687 /nfs/dbraw/zinc/84/76/87/842847687.db2.gz DSDMBWMLMXZBNO-CQSZACIVSA-N 1 2 378.929 3.597 20 30 GHEDLO C=CCn1c(SCC[N@H+]2CCO[C@H](C)C2)nnc1-c1ccc(Cl)cc1 ZINC000188246822 842847694 /nfs/dbraw/zinc/84/76/94/842847694.db2.gz DSDMBWMLMXZBNO-CQSZACIVSA-N 1 2 378.929 3.597 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000512218466 843122948 /nfs/dbraw/zinc/12/29/48/843122948.db2.gz JYHXBMFQIVUTDV-HNNXBMFYSA-N 1 2 376.884 3.508 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000512218466 843122952 /nfs/dbraw/zinc/12/29/52/843122952.db2.gz JYHXBMFQIVUTDV-HNNXBMFYSA-N 1 2 376.884 3.508 20 30 GHEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000510846086 843617176 /nfs/dbraw/zinc/61/71/76/843617176.db2.gz JRPBOROUHPPMSW-UHFFFAOYSA-N 1 2 386.455 3.736 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC(C)(C)[C@H]3[C@H]3CCCO3)n2)C1 ZINC000329456926 861460174 /nfs/dbraw/zinc/46/01/74/861460174.db2.gz QIXIZXPHKWUGML-DJIMGWMZSA-N 1 2 392.569 3.810 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC(C)(C)[C@H]3[C@H]3CCCO3)n2)C1 ZINC000329456926 861460179 /nfs/dbraw/zinc/46/01/79/861460179.db2.gz QIXIZXPHKWUGML-DJIMGWMZSA-N 1 2 392.569 3.810 20 30 GHEDLO COc1cccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)c1OC(C)C ZINC000509538131 843983133 /nfs/dbraw/zinc/98/31/33/843983133.db2.gz DVXLXUGGNHBKRI-UHFFFAOYSA-N 1 2 383.467 3.815 20 30 GHEDLO CC(C)(C#N)c1ccc(C[NH+]2CCN(C(=O)c3c(F)cccc3F)CC2)cc1 ZINC000614164706 844819912 /nfs/dbraw/zinc/81/99/12/844819912.db2.gz RUPPLMVVJLIGJC-UHFFFAOYSA-N 1 2 383.442 3.724 20 30 GHEDLO C=CC[N@@H+](Cc1ccc(C(N)=O)cc1)Cc1cc(Br)ccc1F ZINC000512633551 844829808 /nfs/dbraw/zinc/82/98/08/844829808.db2.gz NZXXOBKRGFIAGM-UHFFFAOYSA-N 1 2 377.257 3.875 20 30 GHEDLO C=CC[N@H+](Cc1ccc(C(N)=O)cc1)Cc1cc(Br)ccc1F ZINC000512633551 844829818 /nfs/dbraw/zinc/82/98/18/844829818.db2.gz NZXXOBKRGFIAGM-UHFFFAOYSA-N 1 2 377.257 3.875 20 30 GHEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCc3sc(Br)cc3C2)cc1 ZINC000610990141 845056019 /nfs/dbraw/zinc/05/60/19/845056019.db2.gz MDWYDURYYSRNII-UHFFFAOYSA-N 1 2 390.306 3.769 20 30 GHEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCc3sc(Br)cc3C2)cc1 ZINC000610990141 845056029 /nfs/dbraw/zinc/05/60/29/845056029.db2.gz MDWYDURYYSRNII-UHFFFAOYSA-N 1 2 390.306 3.769 20 30 GHEDLO CC(C)CO[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000247548417 845139396 /nfs/dbraw/zinc/13/93/96/845139396.db2.gz KHRGYFFNGACTEI-IAGOWNOFSA-N 1 2 375.538 3.766 20 30 GHEDLO CC(C)CO[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000247548417 845139403 /nfs/dbraw/zinc/13/94/03/845139403.db2.gz KHRGYFFNGACTEI-IAGOWNOFSA-N 1 2 375.538 3.766 20 30 GHEDLO Cc1cc(C)c(CNC(=O)NC2CCC(Oc3ccccc3C#N)CC2)c[nH+]1 ZINC000458363805 845220570 /nfs/dbraw/zinc/22/05/70/845220570.db2.gz JIHWIRIVQKVEGG-UHFFFAOYSA-N 1 2 378.476 3.760 20 30 GHEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(Sc3ccc(Cl)cc3)CC2)cc1 ZINC000134857986 845228653 /nfs/dbraw/zinc/22/86/53/845228653.db2.gz XCIQZEVDDLLDMH-IBGZPJMESA-N 1 2 385.920 3.995 20 30 GHEDLO C[C@H](c1cccnc1)[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000501040499 846565350 /nfs/dbraw/zinc/56/53/50/846565350.db2.gz RBSIHRBKSMVYQJ-DNVCBOLYSA-N 1 2 385.309 3.788 20 30 GHEDLO N#Cc1cc(Oc2ccc(NC(=O)c3cc(-n4cc[nH+]c4)ccn3)cc2)ccn1 ZINC000582392555 847086935 /nfs/dbraw/zinc/08/69/35/847086935.db2.gz IUTWRLPRIOKEPL-UHFFFAOYSA-N 1 2 382.383 3.579 20 30 GHEDLO C=CCn1c(SCC[N@@H+]2CCO[C@@H](C)C2)nnc1-c1cccc(Cl)c1 ZINC000559995885 847181731 /nfs/dbraw/zinc/18/17/31/847181731.db2.gz CSWQLDMUVSUERN-AWEZNQCLSA-N 1 2 378.929 3.597 20 30 GHEDLO C=CCn1c(SCC[N@H+]2CCO[C@@H](C)C2)nnc1-c1cccc(Cl)c1 ZINC000559995885 847181742 /nfs/dbraw/zinc/18/17/42/847181742.db2.gz CSWQLDMUVSUERN-AWEZNQCLSA-N 1 2 378.929 3.597 20 30 GHEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1 ZINC000511174049 847774457 /nfs/dbraw/zinc/77/44/57/847774457.db2.gz QOMVUHZLFXUFJW-MRXNPFEDSA-N 1 2 395.453 3.773 20 30 GHEDLO O=C(N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1)N1CCn2c[nH+]cc2C1 ZINC000329666410 861974241 /nfs/dbraw/zinc/97/42/41/861974241.db2.gz QFMWOCJMLKBWAR-AWEZNQCLSA-N 1 2 394.306 3.589 20 30 GHEDLO N#Cc1ccc(SCC(=O)Nc2nc(C[NH+]3CCCC3)cs2)c(Cl)c1 ZINC000178829812 849364859 /nfs/dbraw/zinc/36/48/59/849364859.db2.gz RKTPVYXGFFGFAJ-UHFFFAOYSA-N 1 2 392.937 3.995 20 30 GHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(Cc2ccccc2OC)CC1 ZINC000434840809 849822894 /nfs/dbraw/zinc/82/28/94/849822894.db2.gz DGBHLSFLAUBQOJ-QFIPXVFZSA-N 1 2 378.472 3.736 20 30 GHEDLO N#Cc1ccc(CC(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000504343576 850023944 /nfs/dbraw/zinc/02/39/44/850023944.db2.gz QBDZALGXSUVJQO-UHFFFAOYSA-N 1 2 388.496 3.754 20 30 GHEDLO N#Cc1ccc(CC(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000504343576 850023947 /nfs/dbraw/zinc/02/39/47/850023947.db2.gz QBDZALGXSUVJQO-UHFFFAOYSA-N 1 2 388.496 3.754 20 30 GHEDLO N#Cc1ccc(N2CCC(C(=O)Nc3cccc(-n4cc[nH+]c4)c3)CC2)c(F)c1 ZINC000506686282 850455994 /nfs/dbraw/zinc/45/59/94/850455994.db2.gz DSBUUYKBADHLMZ-UHFFFAOYSA-N 1 2 389.434 3.738 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2Cc3ccccc3C3(CC3)C2)cc1 ZINC000481748010 862155064 /nfs/dbraw/zinc/15/50/64/862155064.db2.gz SSINMXQZXOAFHN-UHFFFAOYSA-N 1 2 389.499 3.879 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2Cc3ccccc3C3(CC3)C2)cc1 ZINC000481748010 862155070 /nfs/dbraw/zinc/15/50/70/862155070.db2.gz SSINMXQZXOAFHN-UHFFFAOYSA-N 1 2 389.499 3.879 20 30 GHEDLO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000519160607 850686334 /nfs/dbraw/zinc/68/63/34/850686334.db2.gz QTZRLUPXQIZYPW-UHFFFAOYSA-N 1 2 394.475 3.571 20 30 GHEDLO C=CCC[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000487580389 850739065 /nfs/dbraw/zinc/73/90/65/850739065.db2.gz AFSVKBBOJZSTNG-PKTZIBPZSA-N 1 2 378.516 3.754 20 30 GHEDLO C=CCC[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000487580389 850739074 /nfs/dbraw/zinc/73/90/74/850739074.db2.gz AFSVKBBOJZSTNG-PKTZIBPZSA-N 1 2 378.516 3.754 20 30 GHEDLO C=CCOc1ccc(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)cc1OC ZINC000514002561 851132370 /nfs/dbraw/zinc/13/23/70/851132370.db2.gz YBUWGLMRCKVAEB-GOSISDBHSA-N 1 2 386.879 3.700 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(C(=O)Nc3ccc(C)cn3)CC2)c1C ZINC000506937777 852365724 /nfs/dbraw/zinc/36/57/24/852365724.db2.gz CUYSLSGPGBOHLR-UHFFFAOYSA-N 1 2 394.519 3.528 20 30 GHEDLO C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000329837900 862359913 /nfs/dbraw/zinc/35/99/13/862359913.db2.gz MFVPMQURDTYGNJ-BPAFIMBUSA-N 1 2 385.508 3.679 20 30 GHEDLO C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000329837900 862359927 /nfs/dbraw/zinc/35/99/27/862359927.db2.gz MFVPMQURDTYGNJ-BPAFIMBUSA-N 1 2 385.508 3.679 20 30 GHEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000437534773 853237148 /nfs/dbraw/zinc/23/71/48/853237148.db2.gz JGWWDLLFNBRPNK-TYPHKJRUSA-N 1 2 382.508 3.522 20 30 GHEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000029686137 853362073 /nfs/dbraw/zinc/36/20/73/853362073.db2.gz QIOMRXUGWGREQX-SJORKVTESA-N 1 2 396.922 3.917 20 30 GHEDLO N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC000587056704 853634761 /nfs/dbraw/zinc/63/47/61/853634761.db2.gz MKNVAMHZVVTDFX-OAHLLOKOSA-N 1 2 392.846 3.945 20 30 GHEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H](C(=O)c4ccc(F)cc4)C3)o2)c1 ZINC000441404896 854202369 /nfs/dbraw/zinc/20/23/69/854202369.db2.gz UNFSNKBARMQQSH-GOSISDBHSA-N 1 2 390.418 3.842 20 30 GHEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H](C(=O)c4ccc(F)cc4)C3)o2)c1 ZINC000441404896 854202380 /nfs/dbraw/zinc/20/23/80/854202380.db2.gz UNFSNKBARMQQSH-GOSISDBHSA-N 1 2 390.418 3.842 20 30 GHEDLO CCOC(=O)CCC1CC[NH+](Cc2ccc(Br)cc2C#N)CC1 ZINC000588203106 854214978 /nfs/dbraw/zinc/21/49/78/854214978.db2.gz AREMXWYYFFVHRC-UHFFFAOYSA-N 1 2 379.298 3.876 20 30 GHEDLO N#CCCN(C(=O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1)c1ccccc1 ZINC000050963870 854389346 /nfs/dbraw/zinc/38/93/46/854389346.db2.gz NHQSBDNZXFPRQK-JOCHJYFZSA-N 1 2 395.478 3.754 20 30 GHEDLO N#CCCN(C(=O)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1)c1ccccc1 ZINC000050963870 854389354 /nfs/dbraw/zinc/38/93/54/854389354.db2.gz NHQSBDNZXFPRQK-JOCHJYFZSA-N 1 2 395.478 3.754 20 30 GHEDLO CSc1cccc(C)c1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000473968092 854435449 /nfs/dbraw/zinc/43/54/49/854435449.db2.gz HLKAHDPJUXYGJZ-UHFFFAOYSA-N 1 2 380.517 3.938 20 30 GHEDLO CC1CC[NH+](Cc2csc(NC(=O)[C@@H]3COCCN3C3CCCC3)n2)CC1 ZINC000330094209 862569247 /nfs/dbraw/zinc/56/92/47/862569247.db2.gz SOCNPAHYNPJOFE-SFHVURJKSA-N 1 2 392.569 3.606 20 30 GHEDLO CN(CC1(O)CCCC1)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000328655470 854491333 /nfs/dbraw/zinc/49/13/33/854491333.db2.gz MVUOYUGHZJFEQH-KRWDZBQOSA-N 1 2 397.922 3.767 20 30 GHEDLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000328799921 854561928 /nfs/dbraw/zinc/56/19/28/854561928.db2.gz HSHVDSLMPADIJF-FUHWJXTLSA-N 1 2 378.476 3.506 20 30 GHEDLO Cc1cccc(CC2(O)CC[NH+](CC(=O)Nc3nc4c(s3)CCC4)CC2)c1 ZINC000330150966 862617929 /nfs/dbraw/zinc/61/79/29/862617929.db2.gz LFHNDMMBEJGUOH-UHFFFAOYSA-N 1 2 385.533 3.598 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@H]3CCOC4(CCC4)C3)n2)C1 ZINC000330187907 862646226 /nfs/dbraw/zinc/64/62/26/862646226.db2.gz UCPAQBGLJKTYPA-CABCVRRESA-N 1 2 378.542 3.803 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@H]3CCOC4(CCC4)C3)n2)C1 ZINC000330187907 862646231 /nfs/dbraw/zinc/64/62/31/862646231.db2.gz UCPAQBGLJKTYPA-CABCVRRESA-N 1 2 378.542 3.803 20 30 GHEDLO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000056626161 855611088 /nfs/dbraw/zinc/61/10/88/855611088.db2.gz HMEUZJPORAPRCE-QGZVFWFLSA-N 1 2 394.475 3.501 20 30 GHEDLO N#Cc1nc(Sc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)ccc1Cl ZINC000301528542 855710374 /nfs/dbraw/zinc/71/03/74/855710374.db2.gz OHSYTPYXOIYFIP-UHFFFAOYSA-N 1 2 396.907 3.934 20 30 GHEDLO C[N@@H+]1CCO[C@H]([C@@H](Nc2ccc(Cl)c(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000301852039 855770557 /nfs/dbraw/zinc/77/05/57/855770557.db2.gz AVBZZQWMSJKXAC-WMZOPIPTSA-N 1 2 377.275 3.744 20 30 GHEDLO C[N@H+]1CCO[C@H]([C@@H](Nc2ccc(Cl)c(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000301852039 855770562 /nfs/dbraw/zinc/77/05/62/855770562.db2.gz AVBZZQWMSJKXAC-WMZOPIPTSA-N 1 2 377.275 3.744 20 30 GHEDLO CCc1nnc(N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c(C#N)c1CC ZINC000301879685 855774463 /nfs/dbraw/zinc/77/44/63/855774463.db2.gz JSNJKNXNIHJTSX-VQTJNVASSA-N 1 2 399.926 3.610 20 30 GHEDLO CCc1nnc(N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c(C#N)c1CC ZINC000301879685 855774470 /nfs/dbraw/zinc/77/44/70/855774470.db2.gz JSNJKNXNIHJTSX-VQTJNVASSA-N 1 2 399.926 3.610 20 30 GHEDLO N#Cc1ccc(OC(F)F)c(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000171231055 856055192 /nfs/dbraw/zinc/05/51/92/856055192.db2.gz SPSBQCFZFRLERW-UHFFFAOYSA-N 1 2 397.385 3.726 20 30 GHEDLO Cc1ccc(C(=O)C2CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)c(C)c1 ZINC000026641189 856064786 /nfs/dbraw/zinc/06/47/86/856064786.db2.gz NFCJOBBCEJPMMZ-FDDCHVKYSA-N 1 2 383.536 3.641 20 30 GHEDLO Cc1ccc(C(=O)C2CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)c(C)c1 ZINC000026641178 856065264 /nfs/dbraw/zinc/06/52/64/856065264.db2.gz NFCJOBBCEJPMMZ-WZONZLPQSA-N 1 2 383.536 3.641 20 30 GHEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3ccc(F)c(C#N)c3)CC2)c1 ZINC000171402405 856123103 /nfs/dbraw/zinc/12/31/03/856123103.db2.gz GYHXPVNLDSMIOQ-HNNXBMFYSA-N 1 2 382.439 3.617 20 30 GHEDLO CC1(C)C[N@H+](CCNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CCO1 ZINC000171551672 856180615 /nfs/dbraw/zinc/18/06/15/856180615.db2.gz FWCYCBNGALMZNO-UHFFFAOYSA-N 1 2 394.475 3.583 20 30 GHEDLO CC1(C)C[N@@H+](CCNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CCO1 ZINC000171551672 856180619 /nfs/dbraw/zinc/18/06/19/856180619.db2.gz FWCYCBNGALMZNO-UHFFFAOYSA-N 1 2 394.475 3.583 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c(C#N)c1C ZINC000265617436 856271487 /nfs/dbraw/zinc/27/14/87/856271487.db2.gz ACKSXWPQFMNBBF-CQSZACIVSA-N 1 2 389.459 3.761 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c(C#N)c1C ZINC000265617436 856271494 /nfs/dbraw/zinc/27/14/94/856271494.db2.gz ACKSXWPQFMNBBF-CQSZACIVSA-N 1 2 389.459 3.761 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)c2cccc(F)c2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000250101002 856313398 /nfs/dbraw/zinc/31/33/98/856313398.db2.gz RJMOOXPODJTZQF-ZWKOTPCHSA-N 1 2 375.806 3.665 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)c2cccc(F)c2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000250101002 856313410 /nfs/dbraw/zinc/31/34/10/856313410.db2.gz RJMOOXPODJTZQF-ZWKOTPCHSA-N 1 2 375.806 3.665 20 30 GHEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000591869367 856394362 /nfs/dbraw/zinc/39/43/62/856394362.db2.gz GFQIIEAOYCFEJG-DYESRHJHSA-N 1 2 387.487 3.978 20 30 GHEDLO CC(C)(C)OC(=O)C1(C)CC[NH+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000592157199 856743334 /nfs/dbraw/zinc/74/33/34/856743334.db2.gz OEMLRTRTTGTUDV-UHFFFAOYSA-N 1 2 391.899 3.594 20 30 GHEDLO CC(C)(C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)c1cc(F)cc(C#N)c1 ZINC000573988253 856845609 /nfs/dbraw/zinc/84/56/09/856845609.db2.gz DUBOSKRLGPJYIV-UHFFFAOYSA-N 1 2 399.897 3.803 20 30 GHEDLO CC(C)(C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)c1cc(F)cc(C#N)c1 ZINC000573988253 856845614 /nfs/dbraw/zinc/84/56/14/856845614.db2.gz DUBOSKRLGPJYIV-UHFFFAOYSA-N 1 2 399.897 3.803 20 30 GHEDLO COc1cc(C[N@@H+]2CCO[C@H](C3CC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000485817718 857126048 /nfs/dbraw/zinc/12/60/48/857126048.db2.gz UXZFZLVXRKVUMH-QHCPKHFHSA-N 1 2 378.472 3.757 20 30 GHEDLO COc1cc(C[N@H+]2CCO[C@H](C3CC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000485817718 857126054 /nfs/dbraw/zinc/12/60/54/857126054.db2.gz UXZFZLVXRKVUMH-QHCPKHFHSA-N 1 2 378.472 3.757 20 30 GHEDLO N#Cc1ccc(-c2nnc(C[NH+]3CCC(Oc4ccc(F)cc4)CC3)o2)cc1 ZINC000173756760 857133685 /nfs/dbraw/zinc/13/36/85/857133685.db2.gz MGDNROLBIVRENY-UHFFFAOYSA-N 1 2 378.407 3.791 20 30 GHEDLO Cc1cc(-c2ccc3[nH]cc(CC#N)c3c2)ccc1OCC[NH+]1CCOCC1 ZINC000592987053 857176340 /nfs/dbraw/zinc/17/63/40/857176340.db2.gz UCAZXLDYSMCXLK-UHFFFAOYSA-N 1 2 375.472 3.920 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(COc3ccccc3)CC2)c(C#N)c1C ZINC000112698294 857186035 /nfs/dbraw/zinc/18/60/35/857186035.db2.gz RRIYOIYFQXAMAI-INIZCTEOSA-N 1 2 381.476 3.886 20 30 GHEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(c2c(F)cccc2F)CC1 ZINC000485886472 857193790 /nfs/dbraw/zinc/19/37/90/857193790.db2.gz BTAUGZXMNIEYET-OAHLLOKOSA-N 1 2 375.463 3.875 20 30 GHEDLO Cc1cccc(C#N)c1S(=O)(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC001212367868 857228058 /nfs/dbraw/zinc/22/80/58/857228058.db2.gz VGAJNHQKJSQBFC-GBESFXJTSA-N 1 2 397.544 3.539 20 30 GHEDLO Cc1cccc(C#N)c1S(=O)(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC001212367868 857228064 /nfs/dbraw/zinc/22/80/64/857228064.db2.gz VGAJNHQKJSQBFC-GBESFXJTSA-N 1 2 397.544 3.539 20 30 GHEDLO C=C(C)[C@H](NC(=O)NCc1nc(C[NH+](C)C)cs1)c1ccc(F)c(F)c1 ZINC000922031013 857596491 /nfs/dbraw/zinc/59/64/91/857596491.db2.gz HBQJKOOTBGEWCM-KRWDZBQOSA-N 1 2 380.464 3.600 20 30 GHEDLO Cc1cccc(N2CC[NH+](CC(=O)N(CCC#N)c3cc(C)cc(C)c3)CC2)c1 ZINC000027382532 857944434 /nfs/dbraw/zinc/94/44/34/857944434.db2.gz HPCNQOTZXRLPID-UHFFFAOYSA-N 1 2 390.531 3.681 20 30 GHEDLO Cc1[nH+]ccn1-c1c(Cl)cccc1NS(=O)(=O)c1cc(C#N)ccc1C ZINC000521601490 858147382 /nfs/dbraw/zinc/14/73/82/858147382.db2.gz BOYGWJIQMIJLSM-UHFFFAOYSA-N 1 2 386.864 3.815 20 30 GHEDLO CC(C)([NH2+]Cc1ncc(I)s1)c1cccc(C#N)c1 ZINC000594966742 858349319 /nfs/dbraw/zinc/34/93/19/858349319.db2.gz ADUWBBWUMXQOND-UHFFFAOYSA-N 1 2 383.258 3.644 20 30 GHEDLO C=C(C)COc1cccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000067319072 858525411 /nfs/dbraw/zinc/52/54/11/858525411.db2.gz FRGUAXHDMXRDLX-UHFFFAOYSA-N 1 2 390.487 3.863 20 30 GHEDLO CC[C@H](OCC[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1)c1ccccc1 ZINC000593017840 858536880 /nfs/dbraw/zinc/53/68/80/858536880.db2.gz FUAMCZPOXWZPSG-FQEVSTJZSA-N 1 2 380.492 3.714 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H](CC#N)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000595579596 858558372 /nfs/dbraw/zinc/55/83/72/858558372.db2.gz KRBPIOWMHTVWIN-XVGQJIODSA-N 1 2 394.441 3.574 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)N2CCC[C@H](CC#N)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000595579596 858558377 /nfs/dbraw/zinc/55/83/77/858558377.db2.gz KRBPIOWMHTVWIN-XVGQJIODSA-N 1 2 394.441 3.574 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000171093270 863043247 /nfs/dbraw/zinc/04/32/47/863043247.db2.gz GLVXBXNSYGHASF-SFHVURJKSA-N 1 2 397.862 3.758 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000171093270 863043262 /nfs/dbraw/zinc/04/32/62/863043262.db2.gz GLVXBXNSYGHASF-SFHVURJKSA-N 1 2 397.862 3.758 20 30 GHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)c1C#N ZINC000595779539 858685298 /nfs/dbraw/zinc/68/52/98/858685298.db2.gz BWXDRJANXCUOMU-CVEARBPZSA-N 1 2 386.540 3.920 20 30 GHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)c1C#N ZINC000595779539 858685302 /nfs/dbraw/zinc/68/53/02/858685302.db2.gz BWXDRJANXCUOMU-CVEARBPZSA-N 1 2 386.540 3.920 20 30 GHEDLO C[C@@]1(C#N)CCN(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000596129216 858786998 /nfs/dbraw/zinc/78/69/98/858786998.db2.gz QSTFKLVKRWZTMO-LPHOPBHVSA-N 1 2 378.879 3.561 20 30 GHEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2Cc3c[nH]nc3CC(C)(C)C2)ccc1Cl ZINC000596599396 858960267 /nfs/dbraw/zinc/96/02/67/858960267.db2.gz SGDORLXQRYVFKS-UHFFFAOYSA-N 1 2 399.926 3.703 20 30 GHEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2Cc3c[nH]nc3CC(C)(C)C2)ccc1Cl ZINC000596599396 858960276 /nfs/dbraw/zinc/96/02/76/858960276.db2.gz SGDORLXQRYVFKS-UHFFFAOYSA-N 1 2 399.926 3.703 20 30 GHEDLO COC[C@@H]([NH2+]CC(=O)Nc1ccccc1S[C@H](C)CC#N)c1ccc(C)o1 ZINC000184668279 858978721 /nfs/dbraw/zinc/97/87/21/858978721.db2.gz LLEGCZCNCWGNPG-NVXWUHKLSA-N 1 2 387.505 3.898 20 30 GHEDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)[C@@H](C)CO1 ZINC000596726661 859056938 /nfs/dbraw/zinc/05/69/38/859056938.db2.gz KQBFUYUPBXWWDA-DLBZAZTESA-N 1 2 394.475 3.581 20 30 GHEDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)[C@@H](C)CO1 ZINC000596726661 859056940 /nfs/dbraw/zinc/05/69/40/859056940.db2.gz KQBFUYUPBXWWDA-DLBZAZTESA-N 1 2 394.475 3.581 20 30 GHEDLO C[N@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccc(Br)c(F)c1 ZINC000494268894 881418094 /nfs/dbraw/zinc/41/80/94/881418094.db2.gz SKABEBBYAQQHID-UHFFFAOYSA-N 1 2 376.229 3.530 20 30 GHEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccc(Br)c(F)c1 ZINC000494268894 881418165 /nfs/dbraw/zinc/41/81/65/881418165.db2.gz SKABEBBYAQQHID-UHFFFAOYSA-N 1 2 376.229 3.530 20 30 GHEDLO CCC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@@H](C)c1ccccc1OC ZINC000611089069 859600042 /nfs/dbraw/zinc/60/00/42/859600042.db2.gz QWNFQJLMUCEDPH-KRWDZBQOSA-N 1 2 386.517 3.814 20 30 GHEDLO CCC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@@H](C)c1ccccc1OC ZINC000611089069 859600050 /nfs/dbraw/zinc/60/00/50/859600050.db2.gz QWNFQJLMUCEDPH-KRWDZBQOSA-N 1 2 386.517 3.814 20 30 GHEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000611260146 859670337 /nfs/dbraw/zinc/67/03/37/859670337.db2.gz KFLRKMRVJGZYJJ-UHFFFAOYSA-N 1 2 392.381 3.644 20 30 GHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cc(C)c(C#N)c(C)c1 ZINC001126558785 859996154 /nfs/dbraw/zinc/99/61/54/859996154.db2.gz QUCORLFGAZITLG-UHFFFAOYSA-N 1 2 376.504 3.949 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602860477 860317281 /nfs/dbraw/zinc/31/72/81/860317281.db2.gz INIAJXOCVJKQPQ-CEXWTWQISA-N 1 2 376.504 3.599 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602860477 860317291 /nfs/dbraw/zinc/31/72/91/860317291.db2.gz INIAJXOCVJKQPQ-CEXWTWQISA-N 1 2 376.504 3.599 20 30 GHEDLO C=CCOc1ccc(-c2nn(C[N@H+](C[C@@H]3CCOC3)C3CC3)c(=S)o2)cc1 ZINC000153023063 881537846 /nfs/dbraw/zinc/53/78/46/881537846.db2.gz GTLJAUSZGRFSPL-HNNXBMFYSA-N 1 2 387.505 3.896 20 30 GHEDLO C=CCOc1ccc(-c2nn(C[N@@H+](C[C@@H]3CCOC3)C3CC3)c(=S)o2)cc1 ZINC000153023063 881538012 /nfs/dbraw/zinc/53/80/12/881538012.db2.gz GTLJAUSZGRFSPL-HNNXBMFYSA-N 1 2 387.505 3.896 20 30 GHEDLO Cc1cc(Br)cn2cc(CCNC(=O)c3cc(C#N)ccc3C)[nH+]c12 ZINC001127963551 860532473 /nfs/dbraw/zinc/53/24/73/860532473.db2.gz QKIZTHNDLNKVDG-UHFFFAOYSA-N 1 2 397.276 3.558 20 30 GHEDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000522458578 860564425 /nfs/dbraw/zinc/56/44/25/860564425.db2.gz PSJSENGYBNTGEZ-UHFFFAOYSA-N 1 2 393.450 3.989 20 30 GHEDLO C=CCOc1ccc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)cc1 ZINC000598805944 860587686 /nfs/dbraw/zinc/58/76/86/860587686.db2.gz SQSQFKHZBZRVCE-UHFFFAOYSA-N 1 2 377.444 3.801 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3(c4ccc(Cl)cc4)CC3)CC2)cc1 ZINC000603448190 860728803 /nfs/dbraw/zinc/72/88/03/860728803.db2.gz YGDVZRWAGSLIQC-UHFFFAOYSA-N 1 2 379.891 3.588 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000603447711 860729342 /nfs/dbraw/zinc/72/93/42/860729342.db2.gz YFGUFTMVDDHYHB-UHFFFAOYSA-N 1 2 388.298 3.752 20 30 GHEDLO COc1ccc(C(N)=[NH+]OCc2ccc(C(=O)Nc3ccccc3)cc2)cc1 ZINC000054230282 860938032 /nfs/dbraw/zinc/93/80/32/860938032.db2.gz SOBDXRVPXGZODV-UHFFFAOYSA-N 1 2 375.428 3.785 20 30 GHEDLO N#CCc1ccc(OCc2cccc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)c2)cc1 ZINC000160091595 863311832 /nfs/dbraw/zinc/31/18/32/863311832.db2.gz XHJLSXPECYRJNK-IBGZPJMESA-N 1 2 386.455 3.729 20 30 GHEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000593974483 863589307 /nfs/dbraw/zinc/58/93/07/863589307.db2.gz CPSCZKNWAOMUHK-QZTJIDSGSA-N 1 2 377.488 3.769 20 30 GHEDLO C[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)[C@H]1CCc2ccccc2C1 ZINC000734001319 863913878 /nfs/dbraw/zinc/91/38/78/863913878.db2.gz AMYSNCIQPOPXGI-ROUUACIJSA-N 1 2 375.497 3.962 20 30 GHEDLO C[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)[C@H]1CCc2ccccc2C1 ZINC000734001319 863913883 /nfs/dbraw/zinc/91/38/83/863913883.db2.gz AMYSNCIQPOPXGI-ROUUACIJSA-N 1 2 375.497 3.962 20 30 GHEDLO C=CCOc1ccc(CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000554254096 863975418 /nfs/dbraw/zinc/97/54/18/863975418.db2.gz QKCBUQOTKXOYRM-UHFFFAOYSA-N 1 2 382.508 3.850 20 30 GHEDLO Cc1n[nH]c(C[NH+]2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c1C ZINC000897056589 864373478 /nfs/dbraw/zinc/37/34/78/864373478.db2.gz VLKONGYFFRMLLN-IUCAKERBSA-N 1 2 377.279 3.629 20 30 GHEDLO C=CC[N@@H+](CC(=O)NCCc1c(C)cc(C)cc1C)Cc1cccc(C#N)c1 ZINC000063299989 864482861 /nfs/dbraw/zinc/48/28/61/864482861.db2.gz FNHURVJEJYDFSR-UHFFFAOYSA-N 1 2 375.516 3.830 20 30 GHEDLO C=CC[N@H+](CC(=O)NCCc1c(C)cc(C)cc1C)Cc1cccc(C#N)c1 ZINC000063299989 864482872 /nfs/dbraw/zinc/48/28/72/864482872.db2.gz FNHURVJEJYDFSR-UHFFFAOYSA-N 1 2 375.516 3.830 20 30 GHEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000475299470 864732977 /nfs/dbraw/zinc/73/29/77/864732977.db2.gz DSXUWCFAUIPXHE-UHFFFAOYSA-N 1 2 380.492 3.606 20 30 GHEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000475299470 864732981 /nfs/dbraw/zinc/73/29/81/864732981.db2.gz DSXUWCFAUIPXHE-UHFFFAOYSA-N 1 2 380.492 3.606 20 30 GHEDLO Cc1cc(C(=O)CO[NH+]=C(N)c2ccc(F)c(C)c2)c(C)n1CC(F)(F)F ZINC000063457664 864803481 /nfs/dbraw/zinc/80/34/81/864803481.db2.gz UQDCPQGWILRLDM-UHFFFAOYSA-N 1 2 385.361 3.635 20 30 GHEDLO COCC[N@H+](CC(=O)N[C@@H](c1ccc(F)cc1)C(C)C)Cc1ccc(C#N)cc1 ZINC000063754033 865306297 /nfs/dbraw/zinc/30/62/97/865306297.db2.gz ADXLIUCBKBCDNL-HSZRJFAPSA-N 1 2 397.494 3.659 20 30 GHEDLO COCC[N@@H+](CC(=O)N[C@@H](c1ccc(F)cc1)C(C)C)Cc1ccc(C#N)cc1 ZINC000063754033 865306313 /nfs/dbraw/zinc/30/63/13/865306313.db2.gz ADXLIUCBKBCDNL-HSZRJFAPSA-N 1 2 397.494 3.659 20 30 GHEDLO C=CCn1c(Cc2ccccc2)nn(CN2CCC[C@H](n3cc[nH+]c3)C2)c1=S ZINC000738148221 865497807 /nfs/dbraw/zinc/49/78/07/865497807.db2.gz IVCMRIXCORDQIN-IBGZPJMESA-N 1 2 394.548 3.682 20 30 GHEDLO N#Cc1ccc(-c2cccc(CNC(=O)NCCCNc3cccc[nH+]3)c2)s1 ZINC000740057414 865837884 /nfs/dbraw/zinc/83/78/84/865837884.db2.gz GCGZCJMUQVUGEI-UHFFFAOYSA-N 1 2 391.500 3.983 20 30 GHEDLO N#Cc1cccc(COc2cccc(CNc3ccc(Cn4cc[nH+]c4)cn3)c2)c1 ZINC000508485736 866023710 /nfs/dbraw/zinc/02/37/10/866023710.db2.gz BXEJVDLQCPOMHS-UHFFFAOYSA-N 1 2 395.466 3.811 20 30 GHEDLO CC(C)(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000456019789 866028284 /nfs/dbraw/zinc/02/82/84/866028284.db2.gz KQEBAPMNQFUDMR-OALUTQOASA-N 1 2 399.535 3.917 20 30 GHEDLO CC(C)(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000456019789 866028300 /nfs/dbraw/zinc/02/83/00/866028300.db2.gz KQEBAPMNQFUDMR-OALUTQOASA-N 1 2 399.535 3.917 20 30 GHEDLO N#CC(CC[NH+]1CCN(C(=O)c2ccco2)CC1)(c1ccccc1)c1ccccc1 ZINC000175975897 866082230 /nfs/dbraw/zinc/08/22/30/866082230.db2.gz GMFFMUCSTWPVFV-UHFFFAOYSA-N 1 2 399.494 3.937 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)c2ncc(C#N)cc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534394388 866679802 /nfs/dbraw/zinc/67/98/02/866679802.db2.gz DUPDWRRFLMTIFJ-RDJZCZTQSA-N 1 2 393.249 3.574 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)c2ncc(C#N)cc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534394388 866679806 /nfs/dbraw/zinc/67/98/06/866679806.db2.gz DUPDWRRFLMTIFJ-RDJZCZTQSA-N 1 2 393.249 3.574 20 30 GHEDLO Cc1cn2ccc(I)c(NCC#Cc3ccccc3)c2[nH+]1 ZINC001170427733 882009948 /nfs/dbraw/zinc/00/99/48/882009948.db2.gz XXENRHMBMHBOBT-UHFFFAOYSA-N 1 2 387.224 3.711 20 30 GHEDLO N#Cc1ccc(N2CCN(Cc3c[nH+]cn3Cc3ccccc3)CC2)c(Cl)c1 ZINC000444772959 867210218 /nfs/dbraw/zinc/21/02/18/867210218.db2.gz PIRYUPIMKLFPGZ-UHFFFAOYSA-N 1 2 391.906 3.779 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)C2(c3cccc(C#N)c3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535131254 868258629 /nfs/dbraw/zinc/25/86/29/868258629.db2.gz VTUCJSVFVUKTRB-PMACEKPBSA-N 1 2 397.881 3.944 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)C2(c3cccc(C#N)c3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535131254 868258645 /nfs/dbraw/zinc/25/86/45/868258645.db2.gz VTUCJSVFVUKTRB-PMACEKPBSA-N 1 2 397.881 3.944 20 30 GHEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2cnc(-c3ccccn3)s2)CC1 ZINC000155260190 868415539 /nfs/dbraw/zinc/41/55/39/868415539.db2.gz MXASDPJVRMJFDN-FQEVSTJZSA-N 1 2 375.501 3.588 20 30 GHEDLO C=CCC1(NC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CCCCC1 ZINC000457589239 868496993 /nfs/dbraw/zinc/49/69/93/868496993.db2.gz GULMCMIDMNJAFN-UHFFFAOYSA-N 1 2 398.551 3.668 20 30 GHEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000152868486 869533797 /nfs/dbraw/zinc/53/37/97/869533797.db2.gz FMEFFBAEFZOOCM-INIZCTEOSA-N 1 2 379.895 3.738 20 30 GHEDLO CC(C)[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)[C@H](C)N(c2ccccc2)C1=O ZINC000746032648 869959603 /nfs/dbraw/zinc/95/96/03/869959603.db2.gz DYZVXKGZCYYJJM-KRWDZBQOSA-N 1 2 376.460 3.583 20 30 GHEDLO CC(C)[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)[C@H](C)N(c2ccccc2)C1=O ZINC000746032648 869959612 /nfs/dbraw/zinc/95/96/12/869959612.db2.gz DYZVXKGZCYYJJM-KRWDZBQOSA-N 1 2 376.460 3.583 20 30 GHEDLO COc1cc(C#N)ccc1C(=O)NC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001192268434 870252104 /nfs/dbraw/zinc/25/21/04/870252104.db2.gz LJFSBZNEWZGUGA-UHFFFAOYSA-N 1 2 397.478 3.770 20 30 GHEDLO COc1ccc(C[N@H+](C)CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)cc1O ZINC000746452939 870738791 /nfs/dbraw/zinc/73/87/91/870738791.db2.gz BOCWZWBQPTVNDI-LPYMAVHISA-N 1 2 380.488 3.713 20 30 GHEDLO COc1ccc(C[N@@H+](C)CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)cc1O ZINC000746452939 870738802 /nfs/dbraw/zinc/73/88/02/870738802.db2.gz BOCWZWBQPTVNDI-LPYMAVHISA-N 1 2 380.488 3.713 20 30 GHEDLO Cc1cccnc1OC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000429721813 872012341 /nfs/dbraw/zinc/01/23/41/872012341.db2.gz HMOORFPOGPVPND-HNNXBMFYSA-N 1 2 398.894 3.786 20 30 GHEDLO N#C[C@@H]1C[N@@H+](CCCc2c(F)cccc2Cl)C[C@]12C(=O)Nc1ccccc12 ZINC000447728039 872167220 /nfs/dbraw/zinc/16/72/20/872167220.db2.gz KKKPPPOKPPCOKI-SZNDQCEHSA-N 1 2 383.854 3.757 20 30 GHEDLO N#C[C@@H]1C[N@H+](CCCc2c(F)cccc2Cl)C[C@]12C(=O)Nc1ccccc12 ZINC000447728039 872167228 /nfs/dbraw/zinc/16/72/28/872167228.db2.gz KKKPPPOKPPCOKI-SZNDQCEHSA-N 1 2 383.854 3.757 20 30 GHEDLO N#Cc1ccc(C2=CCN(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC000767206415 872324257 /nfs/dbraw/zinc/32/42/57/872324257.db2.gz XXIHUWAUSWXGSB-UHFFFAOYSA-N 1 2 383.455 3.743 20 30 GHEDLO COCC1(C#N)CCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1 ZINC000463689885 872336418 /nfs/dbraw/zinc/33/64/18/872336418.db2.gz PIHBPYQTMSISPD-UHFFFAOYSA-N 1 2 393.491 3.670 20 30 GHEDLO C#CC[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000763545917 872515381 /nfs/dbraw/zinc/51/53/81/872515381.db2.gz JMZIKJSEIQUKMN-ACRUOGEOSA-N 1 2 383.442 3.774 20 30 GHEDLO C#CC[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000763545917 872515393 /nfs/dbraw/zinc/51/53/93/872515393.db2.gz JMZIKJSEIQUKMN-ACRUOGEOSA-N 1 2 383.442 3.774 20 30 GHEDLO CC[C@@H]1c2ccc(OC)c(OC)c2CC[N@H+]1Cc1cccc(C(=O)OC)c1C#N ZINC001195787686 872662202 /nfs/dbraw/zinc/66/22/02/872662202.db2.gz BOHQUOBYWAHATL-HXUWFJFHSA-N 1 2 394.471 3.871 20 30 GHEDLO CC[C@@H]1c2ccc(OC)c(OC)c2CC[N@@H+]1Cc1cccc(C(=O)OC)c1C#N ZINC001195787686 872662227 /nfs/dbraw/zinc/66/22/27/872662227.db2.gz BOHQUOBYWAHATL-HXUWFJFHSA-N 1 2 394.471 3.871 20 30 GHEDLO N#Cc1ccc(C2=CC[N@H+](CN3C[C@@H](c4cccc(F)c4)CC3=O)CC2)cc1 ZINC000767986354 873002371 /nfs/dbraw/zinc/00/23/71/873002371.db2.gz KGXYGFWHSZBVET-NRFANRHFSA-N 1 2 375.447 3.760 20 30 GHEDLO N#Cc1ccc(C2=CC[N@@H+](CN3C[C@@H](c4cccc(F)c4)CC3=O)CC2)cc1 ZINC000767986354 873002388 /nfs/dbraw/zinc/00/23/88/873002388.db2.gz KGXYGFWHSZBVET-NRFANRHFSA-N 1 2 375.447 3.760 20 30 GHEDLO Cc1c[nH+]ccc1O[C@@H]1CCN(C(=O)c2cc(O)cc(-c3cccc(C#N)c3)c2)C1 ZINC001196318059 873027394 /nfs/dbraw/zinc/02/73/94/873027394.db2.gz BYVUCOFYOAKTOO-JOCHJYFZSA-N 1 2 399.450 3.928 20 30 GHEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[NH2+]C1(c2nccs2)CCCC1 ZINC000746493537 873095796 /nfs/dbraw/zinc/09/57/96/873095796.db2.gz YYULWASGHVCKFF-OAHLLOKOSA-N 1 2 389.484 3.739 20 30 GHEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000153037591 873135612 /nfs/dbraw/zinc/13/56/12/873135612.db2.gz KDESRAVNALAFSM-CQSZACIVSA-N 1 2 376.913 3.773 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@H+](Cc2ccccc2)[C@H](CO)c2ccccc2)cc1 ZINC001196973347 873485623 /nfs/dbraw/zinc/48/56/23/873485623.db2.gz SZEGKJNKJBYCSU-HSZRJFAPSA-N 1 2 385.467 3.733 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@@H+](Cc2ccccc2)[C@H](CO)c2ccccc2)cc1 ZINC001196973347 873485630 /nfs/dbraw/zinc/48/56/30/873485630.db2.gz SZEGKJNKJBYCSU-HSZRJFAPSA-N 1 2 385.467 3.733 20 30 GHEDLO C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000448911492 874197106 /nfs/dbraw/zinc/19/71/06/874197106.db2.gz MMJYMXXQNJRPKU-PKTZIBPZSA-N 1 2 387.483 3.806 20 30 GHEDLO CC(=[NH+]Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000769829697 874314590 /nfs/dbraw/zinc/31/45/90/874314590.db2.gz IPQLKPRZIUVASB-UHFFFAOYSA-N 1 2 376.363 3.546 20 30 GHEDLO COc1cccc(-n2nc(C)c([C@@H]3COCC[N@@H+]3CCC(C)(C)C#N)c2C)c1 ZINC000541858710 874402852 /nfs/dbraw/zinc/40/28/52/874402852.db2.gz QYBZXLLAIKMMMB-FQEVSTJZSA-N 1 2 382.508 3.811 20 30 GHEDLO COc1cccc(-n2nc(C)c([C@@H]3COCC[N@H+]3CCC(C)(C)C#N)c2C)c1 ZINC000541858710 874402860 /nfs/dbraw/zinc/40/28/60/874402860.db2.gz QYBZXLLAIKMMMB-FQEVSTJZSA-N 1 2 382.508 3.811 20 30 GHEDLO CCOc1ccc(C#N)cc1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542108996 874972613 /nfs/dbraw/zinc/97/26/13/874972613.db2.gz HYYNOQYGXCGBFW-UHFFFAOYSA-N 1 2 381.480 3.878 20 30 GHEDLO C[C@@H](C#N)CN[NH+]=CC1=C(N2CCOCC2)/C(=C/c2ccc(Cl)cc2)CC1 ZINC000771097763 875037454 /nfs/dbraw/zinc/03/74/54/875037454.db2.gz JAOQZRMJXIOYNT-NGTRRFPJSA-N 1 2 384.911 3.839 20 30 GHEDLO N#Cc1ccc(C2([NH2+]Cc3nc(-c4ccc(F)c(F)c4)no3)CCOCC2)cc1 ZINC000528777557 875049959 /nfs/dbraw/zinc/04/99/59/875049959.db2.gz BUVUCSUXUQILPK-UHFFFAOYSA-N 1 2 396.397 3.682 20 30 GHEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000491343683 875515775 /nfs/dbraw/zinc/51/57/75/875515775.db2.gz QSBVROYQTIWHFU-UHFFFAOYSA-N 1 2 378.856 3.619 20 30 GHEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000491343683 875515782 /nfs/dbraw/zinc/51/57/82/875515782.db2.gz QSBVROYQTIWHFU-UHFFFAOYSA-N 1 2 378.856 3.619 20 30 GHEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000771935363 875558208 /nfs/dbraw/zinc/55/82/08/875558208.db2.gz PORZKUWWIGBEBU-GOSISDBHSA-N 1 2 386.293 3.537 20 30 GHEDLO CC1(C)COc2cc(NC(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)ccc21 ZINC000529161908 875722818 /nfs/dbraw/zinc/72/28/18/875722818.db2.gz IFSFYCGSDNXDFI-UHFFFAOYSA-N 1 2 390.487 3.578 20 30 GHEDLO Cc1oc(-c2cccs2)nc1C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001201962930 875956145 /nfs/dbraw/zinc/95/61/45/875956145.db2.gz JCKMIXWFFXMYEL-QGZVFWFLSA-N 1 2 392.484 3.868 20 30 GHEDLO N#Cc1ccc(OC2CCC([NH2+]Cc3cc(Cl)cc(F)c3O)CC2)nc1 ZINC000776252140 876033387 /nfs/dbraw/zinc/03/33/87/876033387.db2.gz OGDOHDYUHWSJKV-UHFFFAOYSA-N 1 2 375.831 3.931 20 30 GHEDLO N#CCCCOc1cccc(NC(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)c1 ZINC000491980610 876058764 /nfs/dbraw/zinc/05/87/64/876058764.db2.gz RCWXCISXFVZUJY-UHFFFAOYSA-N 1 2 376.420 3.653 20 30 GHEDLO C[C@H](c1nnc(Sc2nccc(C#N)n2)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000450230276 876123579 /nfs/dbraw/zinc/12/35/79/876123579.db2.gz FAVKFNFNAQPJNU-OAHLLOKOSA-N 1 2 391.504 3.627 20 30 GHEDLO O=C(C(F)C(F)(F)F)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000788132769 877848968 /nfs/dbraw/zinc/84/89/68/877848968.db2.gz JTJVGALQBSILQS-CYBMUJFWSA-N 1 2 386.311 3.640 20 30 GHEDLO O=C(C(F)C(F)(F)F)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000788132769 877848981 /nfs/dbraw/zinc/84/89/81/877848981.db2.gz JTJVGALQBSILQS-CYBMUJFWSA-N 1 2 386.311 3.640 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)c2ncc(C#N)cc2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000551815240 877882415 /nfs/dbraw/zinc/88/24/15/877882415.db2.gz SJGPPQHWFUJJJG-HKUYNNGSSA-N 1 2 386.858 3.620 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)c2ncc(C#N)cc2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000551815240 877882422 /nfs/dbraw/zinc/88/24/22/877882422.db2.gz SJGPPQHWFUJJJG-HKUYNNGSSA-N 1 2 386.858 3.620 20 30 GHEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)Cc2ccc(OCC#N)cc2)CC1 ZINC000110197767 877900514 /nfs/dbraw/zinc/90/05/14/877900514.db2.gz MBESFLZJCJWXFQ-QGZVFWFLSA-N 1 2 397.906 3.690 20 30 GHEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)Cc2ccc(OCC#N)cc2)CC1 ZINC000110197764 877900674 /nfs/dbraw/zinc/90/06/74/877900674.db2.gz MBESFLZJCJWXFQ-KRWDZBQOSA-N 1 2 397.906 3.690 20 30 GHEDLO CC(C)(C)OC(=O)N1C[C@H]([N@@H+]2Cc3cccc(C#N)c3C2)[C@@H](O)c2ccccc21 ZINC000852212665 878145353 /nfs/dbraw/zinc/14/53/53/878145353.db2.gz AECDHQGNAFXGCQ-SFTDATJTSA-N 1 2 391.471 3.731 20 30 GHEDLO CC(C)(C)OC(=O)N1C[C@H]([N@H+]2Cc3cccc(C#N)c3C2)[C@@H](O)c2ccccc21 ZINC000852212665 878145364 /nfs/dbraw/zinc/14/53/64/878145364.db2.gz AECDHQGNAFXGCQ-SFTDATJTSA-N 1 2 391.471 3.731 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@H](C2CC[NH+](Cc3nc(C#N)cs3)CC2)C1 ZINC000852294598 878203299 /nfs/dbraw/zinc/20/32/99/878203299.db2.gz CDOUMGMFXRYKKL-INIZCTEOSA-N 1 2 390.553 3.874 20 30 GHEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000852325613 878240211 /nfs/dbraw/zinc/24/02/11/878240211.db2.gz IOOIDXIRZAMDHA-HXUWFJFHSA-N 1 2 379.489 3.683 20 30 GHEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000852325613 878240230 /nfs/dbraw/zinc/24/02/30/878240230.db2.gz IOOIDXIRZAMDHA-HXUWFJFHSA-N 1 2 379.489 3.683 20 30 GHEDLO Cc1ccc2c(C[NH+]3CCN(c4ccsc4C#N)CC3)cc(=O)oc2c1C ZINC000852342477 878265211 /nfs/dbraw/zinc/26/52/11/878265211.db2.gz OULSTYNFSIHYKA-UHFFFAOYSA-N 1 2 379.485 3.665 20 30 GHEDLO COc1ccc(Br)c(CNN=C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000788726887 878279410 /nfs/dbraw/zinc/27/94/10/878279410.db2.gz VDVRRYBYYALJTE-UHFFFAOYSA-N 1 2 389.297 3.599 20 30 GHEDLO Cc1ccc(CCCNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000616172961 878627998 /nfs/dbraw/zinc/62/79/98/878627998.db2.gz SFLBJQXADSMUKD-UHFFFAOYSA-N 1 2 390.531 3.635 20 30 GHEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000789556080 879085883 /nfs/dbraw/zinc/08/58/83/879085883.db2.gz YGNBMDSLZUTWTM-IBGZPJMESA-N 1 2 396.535 3.905 20 30 GHEDLO CC1(c2nnc(-c3cccnc3)o2)C[NH+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000854080082 879507725 /nfs/dbraw/zinc/50/77/25/879507725.db2.gz MJQYWRUAHIEIOZ-UHFFFAOYSA-N 1 2 399.376 3.796 20 30 GHEDLO CC(C)(C)C#CC(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000854332670 879735303 /nfs/dbraw/zinc/73/53/03/879735303.db2.gz JWGXILBDOVQFIM-UHFFFAOYSA-N 1 2 388.309 3.724 20 30 GHEDLO C[C@H](c1cccc(NC(=O)c2cc3ccccc3n2CC#N)c1)[NH+]1CCOCC1 ZINC000609182970 880271315 /nfs/dbraw/zinc/27/13/15/880271315.db2.gz IKFFYBRURKBTAM-QGZVFWFLSA-N 1 2 388.471 3.810 20 30 GHEDLO C=C(C)C[C@@H](C)C(=O)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000185193770 880503018 /nfs/dbraw/zinc/50/30/18/880503018.db2.gz WAUKRXPOTQZZNI-GOSISDBHSA-N 1 2 396.510 3.766 20 30 GHEDLO N#Cc1ccccc1OCc1ccc(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)o1 ZINC000609657120 883495524 /nfs/dbraw/zinc/49/55/24/883495524.db2.gz QYPKMCLOGMQUSF-UHFFFAOYSA-N 1 2 398.422 3.846 20 30 GHEDLO N#Cc1ccc(OCc2cccc(C(=O)N3CCC(c4[nH]cc[nH+]4)CC3)c2)cc1 ZINC000609660921 883502119 /nfs/dbraw/zinc/50/21/19/883502119.db2.gz NTKOVMKGEJXVGE-UHFFFAOYSA-N 1 2 386.455 3.880 20 30 GHEDLO C=CCNc1ncc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)s1 ZINC000136103210 883673468 /nfs/dbraw/zinc/67/34/68/883673468.db2.gz RVHVFKSXGJRWSS-GFCCVEGCSA-N 1 2 377.539 3.682 20 30 GHEDLO C=CCNc1ncc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)s1 ZINC000136103210 883673483 /nfs/dbraw/zinc/67/34/83/883673483.db2.gz RVHVFKSXGJRWSS-GFCCVEGCSA-N 1 2 377.539 3.682 20 30 GHEDLO N#Cc1cccc([C@H]2C[N@H+](CCC(=O)Nc3ccc(Cl)cc3F)CCO2)c1 ZINC000761756974 884067503 /nfs/dbraw/zinc/06/75/03/884067503.db2.gz ONQQMVCXGIIYKT-LJQANCHMSA-N 1 2 387.842 3.753 20 30 GHEDLO N#Cc1cccc([C@H]2C[N@@H+](CCC(=O)Nc3ccc(Cl)cc3F)CCO2)c1 ZINC000761756974 884067512 /nfs/dbraw/zinc/06/75/12/884067512.db2.gz ONQQMVCXGIIYKT-LJQANCHMSA-N 1 2 387.842 3.753 20 30 GHEDLO N#Cc1cccc([C@@H]2C[N@H+](CCC(=O)Nc3ccc(Cl)cc3F)CCO2)c1 ZINC000761756973 884067637 /nfs/dbraw/zinc/06/76/37/884067637.db2.gz ONQQMVCXGIIYKT-IBGZPJMESA-N 1 2 387.842 3.753 20 30 GHEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCC(=O)Nc3ccc(Cl)cc3F)CCO2)c1 ZINC000761756973 884067650 /nfs/dbraw/zinc/06/76/50/884067650.db2.gz ONQQMVCXGIIYKT-IBGZPJMESA-N 1 2 387.842 3.753 20 30 GHEDLO N#Cc1cccc([C@@H]2C[N@H+](Cc3cc(=O)oc4cc5c(cc34)CCC5)CCO2)c1 ZINC000761758683 884079564 /nfs/dbraw/zinc/07/95/64/884079564.db2.gz HVJSCUWOGRZLQD-QHCPKHFHSA-N 1 2 386.451 3.727 20 30 GHEDLO N#Cc1cccc([C@@H]2C[N@@H+](Cc3cc(=O)oc4cc5c(cc34)CCC5)CCO2)c1 ZINC000761758683 884079580 /nfs/dbraw/zinc/07/95/80/884079580.db2.gz HVJSCUWOGRZLQD-QHCPKHFHSA-N 1 2 386.451 3.727 20 30 GHEDLO N#Cc1ccccc1CN1CCCC[C@H]1C(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001183835873 912841499 /nfs/dbraw/zinc/84/14/99/912841499.db2.gz OLSATHJKLFNBIQ-QHCPKHFHSA-N 1 2 399.498 3.796 20 30 GHEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000498515232 884684687 /nfs/dbraw/zinc/68/46/87/884684687.db2.gz IANHKNONLAVJEY-RHSMWYFYSA-N 1 2 389.484 3.788 20 30 GHEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000103140810 884783750 /nfs/dbraw/zinc/78/37/50/884783750.db2.gz RBODWOAUTIJGDO-UHFFFAOYSA-N 1 2 387.842 3.907 20 30 GHEDLO C[N@@H+]1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)c2ccccc2C1 ZINC000103410749 884975284 /nfs/dbraw/zinc/97/52/84/884975284.db2.gz RCZFLOLMYOBJED-UHFFFAOYSA-N 1 2 387.439 3.822 20 30 GHEDLO C[N@H+]1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)c2ccccc2C1 ZINC000103410749 884975300 /nfs/dbraw/zinc/97/53/00/884975300.db2.gz RCZFLOLMYOBJED-UHFFFAOYSA-N 1 2 387.439 3.822 20 30 GHEDLO C=CC[N@@H+](CCc1ccccc1)Cc1nnnn1-c1ccc(C(F)(F)F)cc1 ZINC000303000238 885417466 /nfs/dbraw/zinc/41/74/66/885417466.db2.gz OBXDZOHARXKJAM-UHFFFAOYSA-N 1 2 387.409 3.912 20 30 GHEDLO C=CC[N@H+](CCc1ccccc1)Cc1nnnn1-c1ccc(C(F)(F)F)cc1 ZINC000303000238 885417476 /nfs/dbraw/zinc/41/74/76/885417476.db2.gz OBXDZOHARXKJAM-UHFFFAOYSA-N 1 2 387.409 3.912 20 30 GHEDLO C=CCCCCCCNC(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000807443621 885478111 /nfs/dbraw/zinc/47/81/11/885478111.db2.gz PWEAOIVWFHAJKE-UHFFFAOYSA-N 1 2 392.503 3.793 20 30 GHEDLO C[C@@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117352290 886061539 /nfs/dbraw/zinc/06/15/39/886061539.db2.gz IAFXIZHNLIUQRM-JTQLQIEISA-N 1 2 386.311 3.647 20 30 GHEDLO C[C@@H](C(=O)NCc1ccc(F)cc1)[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117352290 886061542 /nfs/dbraw/zinc/06/15/42/886061542.db2.gz IAFXIZHNLIUQRM-JTQLQIEISA-N 1 2 386.311 3.647 20 30 GHEDLO Nc1nc(Cl)c(C=[NH+]Nc2cccc(Br)c2)c(N2CCCC2)n1 ZINC000863968394 887489224 /nfs/dbraw/zinc/48/92/24/887489224.db2.gz NNKVFONYEKDWPH-UHFFFAOYSA-N 1 2 395.692 3.521 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(C(=O)Nc3ccc(O)cc3)CC2)c1C ZINC000532670766 887507122 /nfs/dbraw/zinc/50/71/22/887507122.db2.gz XHVQFUUBMITGJA-UHFFFAOYSA-N 1 2 395.503 3.530 20 30 GHEDLO CC(C)(C)c1csc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000864658976 887909269 /nfs/dbraw/zinc/90/92/69/887909269.db2.gz WULHSDWIONEQCR-UHFFFAOYSA-N 1 2 382.533 3.660 20 30 GHEDLO CC(C)(C)c1csc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000864658976 887909277 /nfs/dbraw/zinc/90/92/77/887909277.db2.gz WULHSDWIONEQCR-UHFFFAOYSA-N 1 2 382.533 3.660 20 30 GHEDLO CC[C@@H](C)c1ccc(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000794832809 888282768 /nfs/dbraw/zinc/28/27/68/888282768.db2.gz NGONYXINVKKCBJ-OXQOHEQNSA-N 1 2 378.476 3.559 20 30 GHEDLO CC[C@@H](C)c1ccc(NC(=O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000794832809 888282779 /nfs/dbraw/zinc/28/27/79/888282779.db2.gz NGONYXINVKKCBJ-OXQOHEQNSA-N 1 2 378.476 3.559 20 30 GHEDLO C=CCC1(C(=O)N2CC[NH+](CCOc3cccc(OC)c3)CC2)CCCCC1 ZINC001127406154 888483707 /nfs/dbraw/zinc/48/37/07/888483707.db2.gz JYUIMGSWLNQJPC-UHFFFAOYSA-N 1 2 386.536 3.745 20 30 GHEDLO C[C@@H]1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)C[C@H]1n1cc[nH+]c1 ZINC000287328628 913265633 /nfs/dbraw/zinc/26/56/33/913265633.db2.gz VRROXFNKGQZOQX-MLGOLLRUSA-N 1 2 388.269 3.632 20 30 GHEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]O[C@@H](C)c3nc(C(C)(C)C)no3)c2)n1 ZINC000122234510 889527521 /nfs/dbraw/zinc/52/75/21/889527521.db2.gz CWXRXHVJMDYPQQ-HNNXBMFYSA-N 1 2 396.495 3.627 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000811458508 889618348 /nfs/dbraw/zinc/61/83/48/889618348.db2.gz MZHQAWLCWZKNPX-CVEARBPZSA-N 1 2 376.526 3.769 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCC[N@H+]1Cc1nc(C#N)cs1 ZINC000811458508 889618352 /nfs/dbraw/zinc/61/83/52/889618352.db2.gz MZHQAWLCWZKNPX-CVEARBPZSA-N 1 2 376.526 3.769 20 30 GHEDLO O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1)C(F)(F)F ZINC000811514114 889708597 /nfs/dbraw/zinc/70/85/97/889708597.db2.gz BWYKXAZESCPDRR-LLVKDONJSA-N 1 2 386.311 3.735 20 30 GHEDLO O=C(NC[C@H]1CCC[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1)C(F)(F)F ZINC000811514114 889708602 /nfs/dbraw/zinc/70/86/02/889708602.db2.gz BWYKXAZESCPDRR-LLVKDONJSA-N 1 2 386.311 3.735 20 30 GHEDLO CN(C)c1cc(Cl)cc(Cl)c1C=[NH+]Nc1cccc(S(C)(=O)=O)c1 ZINC000811646594 889840696 /nfs/dbraw/zinc/84/06/96/889840696.db2.gz FFHDNHKVAXWXDB-UHFFFAOYSA-N 1 2 386.304 3.909 20 30 GHEDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000533346905 890304977 /nfs/dbraw/zinc/30/49/77/890304977.db2.gz JFJRMLWKFRIHHH-AWEZNQCLSA-N 1 2 391.899 3.594 20 30 GHEDLO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000533346905 890304990 /nfs/dbraw/zinc/30/49/90/890304990.db2.gz JFJRMLWKFRIHHH-AWEZNQCLSA-N 1 2 391.899 3.594 20 30 GHEDLO Fc1ccc(N[NH+]=Cc2ccc(N3CCOCC3)cc2)c(Br)c1 ZINC000812462534 890653045 /nfs/dbraw/zinc/65/30/45/890653045.db2.gz WFOAKJFJTPSOMY-UHFFFAOYSA-N 1 2 378.245 3.871 20 30 GHEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000533508472 890717215 /nfs/dbraw/zinc/71/72/15/890717215.db2.gz XKBJWJJBWVUGAV-GOSISDBHSA-N 1 2 392.425 3.888 20 30 GHEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000533508472 890717226 /nfs/dbraw/zinc/71/72/26/890717226.db2.gz XKBJWJJBWVUGAV-GOSISDBHSA-N 1 2 392.425 3.888 20 30 GHEDLO Cc1ccc([C@H]2CCC[N@@H+]2CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)cc1 ZINC000917095911 891158934 /nfs/dbraw/zinc/15/89/34/891158934.db2.gz MVNDTTMXSDHBQU-UYAOXDASSA-N 1 2 386.455 3.657 20 30 GHEDLO Cc1ccc([C@H]2CCC[N@H+]2CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)cc1 ZINC000917095911 891158939 /nfs/dbraw/zinc/15/89/39/891158939.db2.gz MVNDTTMXSDHBQU-UYAOXDASSA-N 1 2 386.455 3.657 20 30 GHEDLO CC(C)(C)OC(=O)Nc1cccc2[nH]cc(C=NNCCCn3cc[nH+]c3)c21 ZINC000872387984 891252409 /nfs/dbraw/zinc/25/24/09/891252409.db2.gz VZPCICCKTJSAHV-UHFFFAOYSA-N 1 2 382.468 3.725 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCc2ccc(C#N)cc2F)C[C@H](C)O1 ZINC000609253671 891561922 /nfs/dbraw/zinc/56/19/22/891561922.db2.gz RDQBJVFKRWOOTQ-IYBDPMFKSA-N 1 2 396.466 3.628 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCc2ccc(C#N)cc2F)C[C@H](C)O1 ZINC000609253671 891561934 /nfs/dbraw/zinc/56/19/34/891561934.db2.gz RDQBJVFKRWOOTQ-IYBDPMFKSA-N 1 2 396.466 3.628 20 30 GHEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 ZINC000016554826 891957316 /nfs/dbraw/zinc/95/73/16/891957316.db2.gz GFIYSGYJMLLJCL-UHFFFAOYSA-N 1 2 383.517 3.968 20 30 GHEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 ZINC000016554826 891957324 /nfs/dbraw/zinc/95/73/24/891957324.db2.gz GFIYSGYJMLLJCL-UHFFFAOYSA-N 1 2 383.517 3.968 20 30 GHEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)C#Cc1cccs1 ZINC000825707889 891967004 /nfs/dbraw/zinc/96/70/04/891967004.db2.gz ALJLTDLBBGKLJH-UHFFFAOYSA-N 1 2 393.512 3.814 20 30 GHEDLO N#CCCN(C(=O)C[N@H+]1CC[C@H](Oc2ccccc2Cl)C1)c1ccccc1 ZINC000128532108 892072592 /nfs/dbraw/zinc/07/25/92/892072592.db2.gz YYGKVXUXQOVMPM-SFHVURJKSA-N 1 2 383.879 3.740 20 30 GHEDLO N#CCCN(C(=O)C[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1)c1ccccc1 ZINC000128532108 892072610 /nfs/dbraw/zinc/07/26/10/892072610.db2.gz YYGKVXUXQOVMPM-SFHVURJKSA-N 1 2 383.879 3.740 20 30 GHEDLO Cn1cc([C@@H]2CSCCC[N@@H+]2Cc2cc(Cl)ccc2OCC#N)cn1 ZINC000933980107 893333871 /nfs/dbraw/zinc/33/38/71/893333871.db2.gz BSMKZPJCFSITMV-KRWDZBQOSA-N 1 2 376.913 3.656 20 30 GHEDLO Cn1cc([C@@H]2CSCCC[N@H+]2Cc2cc(Cl)ccc2OCC#N)cn1 ZINC000933980107 893333886 /nfs/dbraw/zinc/33/38/86/893333886.db2.gz BSMKZPJCFSITMV-KRWDZBQOSA-N 1 2 376.913 3.656 20 30 GHEDLO Cc1ccccc1[C@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCO1 ZINC000126316975 893454494 /nfs/dbraw/zinc/45/44/94/893454494.db2.gz LKRMYFQTZBBMME-DENIHFKCSA-N 1 2 398.466 3.606 20 30 GHEDLO Cc1ccccc1[C@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCO1 ZINC000126316975 893454501 /nfs/dbraw/zinc/45/45/01/893454501.db2.gz LKRMYFQTZBBMME-DENIHFKCSA-N 1 2 398.466 3.606 20 30 GHEDLO CCOc1ccc([C@H](O)C2CC[NH+](Cc3cc(C#N)cnc3Cl)CC2)cc1 ZINC000877542520 893676424 /nfs/dbraw/zinc/67/64/24/893676424.db2.gz SJYJENIKCCIWCB-FQEVSTJZSA-N 1 2 385.895 3.951 20 30 GHEDLO CN(CC(F)(F)F)C(=O)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000064248296 893989882 /nfs/dbraw/zinc/98/98/82/893989882.db2.gz YNKSLHFEMQJISU-UHFFFAOYSA-N 1 2 393.384 3.720 20 30 GHEDLO CN(CC(F)(F)F)C(=O)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000064248296 893989887 /nfs/dbraw/zinc/98/98/87/893989887.db2.gz YNKSLHFEMQJISU-UHFFFAOYSA-N 1 2 393.384 3.720 20 30 GHEDLO COc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1SC ZINC000459661841 894012461 /nfs/dbraw/zinc/01/24/61/894012461.db2.gz SGKWEXHMCTVADD-UHFFFAOYSA-N 1 2 396.516 3.638 20 30 GHEDLO CC[N@@H+]1CC[C@@H](NC(=O)C2(C#N)CCSCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000935234428 894299245 /nfs/dbraw/zinc/29/92/45/894299245.db2.gz COBCFFAKWKRANE-SJORKVTESA-N 1 2 395.931 3.768 20 30 GHEDLO CC[N@H+]1CC[C@@H](NC(=O)C2(C#N)CCSCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000935234428 894299261 /nfs/dbraw/zinc/29/92/61/894299261.db2.gz COBCFFAKWKRANE-SJORKVTESA-N 1 2 395.931 3.768 20 30 GHEDLO Cc1nsc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1C#N ZINC000564177778 894689923 /nfs/dbraw/zinc/68/99/23/894689923.db2.gz HIOWMTDBQPSKSK-GJZGRUSLSA-N 1 2 393.875 3.683 20 30 GHEDLO Cc1nsc(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1C#N ZINC000564177778 894689929 /nfs/dbraw/zinc/68/99/29/894689929.db2.gz HIOWMTDBQPSKSK-GJZGRUSLSA-N 1 2 393.875 3.683 20 30 GHEDLO COc1ccc([C@H](CO)[N@H+](C)CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)cc1 ZINC000210121098 895120961 /nfs/dbraw/zinc/12/09/61/895120961.db2.gz XGTZVDJMLXONLT-DHNIJCFSSA-N 1 2 394.515 3.541 20 30 GHEDLO COc1ccc([C@H](CO)[N@@H+](C)CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)cc1 ZINC000210121098 895120975 /nfs/dbraw/zinc/12/09/75/895120975.db2.gz XGTZVDJMLXONLT-DHNIJCFSSA-N 1 2 394.515 3.541 20 30 GHEDLO C#C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1ccc(Cl)cc1 ZINC001275447330 913970716 /nfs/dbraw/zinc/97/07/16/913970716.db2.gz FVGNYAVYKAUEAN-INIZCTEOSA-N 1 2 380.791 3.538 20 30 GHEDLO N#Cc1cccc([C@H](NC(=O)NCCCCNc2cccc[nH+]2)C(F)(F)F)c1 ZINC000880927182 896004991 /nfs/dbraw/zinc/00/49/91/896004991.db2.gz FKOMOVNHKONHIR-KRWDZBQOSA-N 1 2 391.397 3.748 20 30 GHEDLO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000888912456 896826106 /nfs/dbraw/zinc/82/61/06/896826106.db2.gz CBVLNBRORJHIPU-QWFCFKBJSA-N 1 2 375.476 3.663 20 30 GHEDLO O[C@H](C[NH2+][C@@H](c1cccnc1)c1ccc(F)cc1F)C(F)(F)C(F)(F)F ZINC000883361127 897534301 /nfs/dbraw/zinc/53/43/01/897534301.db2.gz UWNJYRABLLYBEF-KGLIPLIRSA-N 1 2 382.279 3.597 20 30 GHEDLO N#CCCN(C(=O)C[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1)c1cccc(Cl)c1 ZINC000569412839 898636577 /nfs/dbraw/zinc/63/65/77/898636577.db2.gz MMRBMPJAWGYAKG-AZUAARDMSA-N 1 2 387.911 3.620 20 30 GHEDLO N#CCCN(C(=O)C[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1)c1cccc(Cl)c1 ZINC000569412839 898636585 /nfs/dbraw/zinc/63/65/85/898636585.db2.gz MMRBMPJAWGYAKG-AZUAARDMSA-N 1 2 387.911 3.620 20 30 GHEDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cc2ccccc2o1 ZINC000043876621 899009594 /nfs/dbraw/zinc/00/95/94/899009594.db2.gz ISMDVOZFNYTMGP-QGZVFWFLSA-N 1 2 388.471 3.893 20 30 GHEDLO COc1cc(-c2noc(C[N@H+](C)CCOCc3ccc(C#N)cc3)n2)ccc1C ZINC000570822369 899616037 /nfs/dbraw/zinc/61/60/37/899616037.db2.gz GNAYZRXYJMHGLC-UHFFFAOYSA-N 1 2 392.459 3.574 20 30 GHEDLO COc1cc(-c2noc(C[N@@H+](C)CCOCc3ccc(C#N)cc3)n2)ccc1C ZINC000570822369 899616046 /nfs/dbraw/zinc/61/60/46/899616046.db2.gz GNAYZRXYJMHGLC-UHFFFAOYSA-N 1 2 392.459 3.574 20 30 GHEDLO C/C(=C\C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)C[NH+]1CCOCC1 ZINC001137036849 900187915 /nfs/dbraw/zinc/18/79/15/900187915.db2.gz HMRQWWBFYKPFDT-FOWTUZBSSA-N 1 2 395.434 3.707 20 30 GHEDLO C[C@@H]1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000282943664 900636720 /nfs/dbraw/zinc/63/67/20/900636720.db2.gz HBRHXFKJYQIWOR-DOMZBBRYSA-N 1 2 393.369 3.768 20 30 GHEDLO Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844370948 900736802 /nfs/dbraw/zinc/73/68/02/900736802.db2.gz VKJCYCJAHKPAKN-OAQYLSRUSA-N 1 2 394.906 3.930 20 30 GHEDLO Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844370948 900736809 /nfs/dbraw/zinc/73/68/09/900736809.db2.gz VKJCYCJAHKPAKN-OAQYLSRUSA-N 1 2 394.906 3.930 20 30 GHEDLO CCN(C(=O)C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1)c1cccc2ccccc21 ZINC000844367971 900779289 /nfs/dbraw/zinc/77/92/89/900779289.db2.gz PWFLFDSGEOHMQD-HSZRJFAPSA-N 1 2 387.483 3.730 20 30 GHEDLO CCN(C(=O)C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1)c1cccc2ccccc21 ZINC000844367971 900779295 /nfs/dbraw/zinc/77/92/95/900779295.db2.gz PWFLFDSGEOHMQD-HSZRJFAPSA-N 1 2 387.483 3.730 20 30 GHEDLO CC(C)C[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(CCC#N)cc3)c2C1 ZINC000886399010 900978423 /nfs/dbraw/zinc/97/84/23/900978423.db2.gz BPESTZMZWAJTRX-UHFFFAOYSA-N 1 2 383.517 3.915 20 30 GHEDLO CC(C)C[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(CCC#N)cc3)c2C1 ZINC000886399010 900978435 /nfs/dbraw/zinc/97/84/35/900978435.db2.gz BPESTZMZWAJTRX-UHFFFAOYSA-N 1 2 383.517 3.915 20 30 GHEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000576030321 901604377 /nfs/dbraw/zinc/60/43/77/901604377.db2.gz VRZZQLABLXCSCN-GOSISDBHSA-N 1 2 380.517 3.505 20 30 GHEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000576030321 901604383 /nfs/dbraw/zinc/60/43/83/901604383.db2.gz VRZZQLABLXCSCN-GOSISDBHSA-N 1 2 380.517 3.505 20 30 GHEDLO N#CCCCn1cc(C(=O)N2CC[NH+](Cc3ccsc3)CC2)c2ccccc21 ZINC000576574884 902105368 /nfs/dbraw/zinc/10/53/68/902105368.db2.gz AHOIGAYGOWELMX-UHFFFAOYSA-N 1 2 392.528 3.965 20 30 GHEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCO[C@@H](c3ccsc3)C1)CCC2 ZINC000126449699 902324305 /nfs/dbraw/zinc/32/43/05/902324305.db2.gz ZFSQYKYKMLLQTH-MRXNPFEDSA-N 1 2 387.530 3.572 20 30 GHEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCO[C@@H](c3ccsc3)C1)CCC2 ZINC000126449699 902324315 /nfs/dbraw/zinc/32/43/15/902324315.db2.gz ZFSQYKYKMLLQTH-MRXNPFEDSA-N 1 2 387.530 3.572 20 30 GHEDLO C[C@@H](C(=O)Nc1cccc(CSc2ccccn2)c1)[NH+]1CCC(C#N)CC1 ZINC000263702106 902413463 /nfs/dbraw/zinc/41/34/63/902413463.db2.gz LSRATJNXDIEAGF-INIZCTEOSA-N 1 2 380.517 3.936 20 30 GHEDLO COc1cc(C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C2CC2)ccc1O ZINC000128407751 902658776 /nfs/dbraw/zinc/65/87/76/902658776.db2.gz MDVIOSQVQIJMOK-UHFFFAOYSA-N 1 2 385.851 3.529 20 30 GHEDLO COc1cc(C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C2CC2)ccc1O ZINC000128407751 902658783 /nfs/dbraw/zinc/65/87/83/902658783.db2.gz MDVIOSQVQIJMOK-UHFFFAOYSA-N 1 2 385.851 3.529 20 30 GHEDLO C[C@@H](NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)c1ccc(C#N)cc1 ZINC000264205042 902920164 /nfs/dbraw/zinc/92/01/64/902920164.db2.gz FYDJYRKQXGOOAJ-IAGOWNOFSA-N 1 2 378.476 3.834 20 30 GHEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000048161923 902982267 /nfs/dbraw/zinc/98/22/67/902982267.db2.gz DNKOKTYZWBJMSU-QGZVFWFLSA-N 1 2 389.459 3.738 20 30 GHEDLO C=CCCn1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)nn1 ZINC000846821990 903244018 /nfs/dbraw/zinc/24/40/18/903244018.db2.gz VIHWFEYQMIDKQG-RTBURBONSA-N 1 2 389.544 3.608 20 30 GHEDLO C=CCCn1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)nn1 ZINC000846821990 903244033 /nfs/dbraw/zinc/24/40/33/903244033.db2.gz VIHWFEYQMIDKQG-RTBURBONSA-N 1 2 389.544 3.608 20 30 GHEDLO Cc1cc(C#N)cc(Sc2nnc([C@H](C)[NH+](C)C)n2-c2ccc(F)cc2)n1 ZINC000601100475 903330656 /nfs/dbraw/zinc/33/06/56/903330656.db2.gz DNPLQDOSRBZKND-ZDUSSCGKSA-N 1 2 382.468 3.755 20 30 GHEDLO N#CCc1cccc2c1CCN(C(=O)N[C@H]1CC[C@H](Nc3cccc[nH+]3)CC1)C2 ZINC000889541934 904629162 /nfs/dbraw/zinc/62/91/62/904629162.db2.gz ZCKICTLLAJSDOK-MXVIHJGJSA-N 1 2 389.503 3.639 20 30 GHEDLO CN(CCc1cccc(C#N)c1)C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000889541469 904629205 /nfs/dbraw/zinc/62/92/05/904629205.db2.gz KRTLQHATYJIWNF-MXVIHJGJSA-N 1 2 377.492 3.560 20 30 GHEDLO C#CCOc1cccc(Cl)c1C[N@H+](C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000779154387 904771282 /nfs/dbraw/zinc/77/12/82/904771282.db2.gz UCJUSWRSLNZOGX-UHFFFAOYSA-N 1 2 382.891 3.876 20 30 GHEDLO C#CCOc1cccc(Cl)c1C[N@@H+](C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000779154387 904771288 /nfs/dbraw/zinc/77/12/88/904771288.db2.gz UCJUSWRSLNZOGX-UHFFFAOYSA-N 1 2 382.891 3.876 20 30 GHEDLO CC(C)n1c[nH+]cc1/C=C/C(=O)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 ZINC000901477969 921143563 /nfs/dbraw/zinc/14/35/63/921143563.db2.gz RAQYQYMLCNCPNL-VMPITWQZSA-N 1 2 386.395 3.696 20 30 GHEDLO CCn1cncc1/C=C1\CC2(CCOCC2)C/C(=C/c2c[nH+]cn2CC)C1=O ZINC000901480267 921150069 /nfs/dbraw/zinc/15/00/69/921150069.db2.gz ADDGDPACVTZQKI-BUOZRGFLSA-N 1 2 380.492 3.746 20 30 GHEDLO CCn1cncc1/C=C1/CC2(CCOCC2)C/C(=C\c2c[nH+]cn2CC)C1=O ZINC000901480267 921150075 /nfs/dbraw/zinc/15/00/75/921150075.db2.gz ADDGDPACVTZQKI-BUOZRGFLSA-N 1 2 380.492 3.746 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+](Cc3nc(Br)cs3)CC2)C1=O ZINC001276014320 921309106 /nfs/dbraw/zinc/30/91/06/921309106.db2.gz IJJRGJAMCZQMCP-KRWDZBQOSA-N 1 2 398.370 3.686 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+](Cc3nc(Br)cs3)CC2)C1=O ZINC001276014320 921309107 /nfs/dbraw/zinc/30/91/07/921309107.db2.gz IJJRGJAMCZQMCP-KRWDZBQOSA-N 1 2 398.370 3.686 20 30 GHEDLO N#Cc1cc(F)ccc1N1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC001175452561 907578338 /nfs/dbraw/zinc/57/83/38/907578338.db2.gz GDEQWCWEFQVUME-LJQANCHMSA-N 1 2 394.277 3.860 20 30 GHEDLO CC[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1nc(C(F)(F)F)cs1 ZINC000185929281 907854033 /nfs/dbraw/zinc/85/40/33/907854033.db2.gz IHTDQOCRJFTWFB-LBPRGKRZSA-N 1 2 388.459 3.887 20 30 GHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC001176235195 907997710 /nfs/dbraw/zinc/99/77/10/907997710.db2.gz PPEUMPAJDTYCGY-QFBILLFUSA-N 1 2 381.501 3.597 20 30 GHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC001176235195 907997724 /nfs/dbraw/zinc/99/77/24/907997724.db2.gz PPEUMPAJDTYCGY-QFBILLFUSA-N 1 2 381.501 3.597 20 30 GHEDLO N#Cc1ccc(C2CC[NH+](CC(=O)Nc3nc4c(s3)CCCC4)CC2)cc1 ZINC001176578454 908183583 /nfs/dbraw/zinc/18/35/83/908183583.db2.gz OWMIETMBGDWARY-UHFFFAOYSA-N 1 2 380.517 3.712 20 30 GHEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]3c3cccc4c3OCCO4)o2)cc1 ZINC000266549308 909214146 /nfs/dbraw/zinc/21/41/46/909214146.db2.gz STNAPBVGRBNLPQ-GOSISDBHSA-N 1 2 388.427 3.717 20 30 GHEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3c3cccc4c3OCCO4)o2)cc1 ZINC000266549308 909214163 /nfs/dbraw/zinc/21/41/63/909214163.db2.gz STNAPBVGRBNLPQ-GOSISDBHSA-N 1 2 388.427 3.717 20 30 GHEDLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N[C@H](c1cc(F)ccc1F)C(F)F ZINC000635868464 909365973 /nfs/dbraw/zinc/36/59/73/909365973.db2.gz DWJWPHSSVLUKBF-WCQYABFASA-N 1 2 383.267 3.777 20 30 GHEDLO N#Cc1cccc(NC(=O)N2CCC(F)(F)[C@@]3(CCN(c4cccc[nH+]4)C3)C2)c1 ZINC001202782000 910225227 /nfs/dbraw/zinc/22/52/27/910225227.db2.gz BBWAVWFQIGPBLM-HXUWFJFHSA-N 1 2 397.429 3.723 20 30 GHEDLO Cc1cc(N(C)C)cc(C)c1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000269848401 910366948 /nfs/dbraw/zinc/36/69/48/910366948.db2.gz RLEQPNMQZPYELX-UHFFFAOYSA-N 1 2 391.519 3.591 20 30 GHEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC000640175355 910885760 /nfs/dbraw/zinc/88/57/60/910885760.db2.gz AOBCAUJYWUWDAI-UHFFFAOYSA-N 1 2 394.475 3.996 20 30 GHEDLO N#C[C@H](Cc1ccc(F)cc1F)OC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000774310818 911639696 /nfs/dbraw/zinc/63/96/96/911639696.db2.gz LHVIXPQTELWOMT-FPOVZHCZSA-N 1 2 384.426 3.997 20 30 GHEDLO N#C[C@H](Cc1ccc(F)cc1F)OC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000774310818 911639706 /nfs/dbraw/zinc/63/97/06/911639706.db2.gz LHVIXPQTELWOMT-FPOVZHCZSA-N 1 2 384.426 3.997 20 30 GHEDLO C[C@@H](C#N)Oc1ccc(C[NH+]2CCN(C(=O)CCCc3ccccc3)CC2)cc1 ZINC000092755223 911773554 /nfs/dbraw/zinc/77/35/54/911773554.db2.gz XDCXNLKJAQFSRL-FQEVSTJZSA-N 1 2 391.515 3.645 20 30 GHEDLO C#CCCOc1ccc(C[NH+]2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1 ZINC000092789392 911807263 /nfs/dbraw/zinc/80/72/63/911807263.db2.gz IVWAHVDKPOKRDB-UHFFFAOYSA-N 1 2 387.483 3.528 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@H+](Cc3ncc(Cl)nc3Cl)CC2)C1=O ZINC001275026432 912164816 /nfs/dbraw/zinc/16/48/16/912164816.db2.gz KLDXOXJFNQVCMJ-GOSISDBHSA-N 1 2 383.323 3.564 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+](Cc3ncc(Cl)nc3Cl)CC2)C1=O ZINC001275026432 912164821 /nfs/dbraw/zinc/16/48/21/912164821.db2.gz KLDXOXJFNQVCMJ-GOSISDBHSA-N 1 2 383.323 3.564 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000796382756 915336770 /nfs/dbraw/zinc/33/67/70/915336770.db2.gz LOFDFYNRHJQRIE-OAQYLSRUSA-N 1 2 382.504 3.881 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000796382756 915336791 /nfs/dbraw/zinc/33/67/91/915336791.db2.gz LOFDFYNRHJQRIE-OAQYLSRUSA-N 1 2 382.504 3.881 20 30 GHEDLO C[C@@H](c1nc2ccccc2n1C(F)F)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292074475 915503726 /nfs/dbraw/zinc/50/37/26/915503726.db2.gz CZWIFUMBLRLKNB-DZGCQCFKSA-N 1 2 383.402 3.912 20 30 GHEDLO C[C@@H](c1nc2ccccc2n1C(F)F)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292074475 915503735 /nfs/dbraw/zinc/50/37/35/915503735.db2.gz CZWIFUMBLRLKNB-DZGCQCFKSA-N 1 2 383.402 3.912 20 30 GHEDLO CCCCCCCCS(=O)(=O)NCc1c[nH+]cn1Cc1cccc(OC)c1 ZINC001188030024 915721771 /nfs/dbraw/zinc/72/17/71/915721771.db2.gz DYPCCRSNAZQOMT-UHFFFAOYSA-N 1 2 393.553 3.720 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2ccc(OC)c(OC)c2Cl)C1=O ZINC001275688649 916018224 /nfs/dbraw/zinc/01/82/24/916018224.db2.gz TYZQBLBTTSCGGD-HXUWFJFHSA-N 1 2 378.900 3.500 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+]2Cc2ccc(OC)c(OC)c2Cl)C1=O ZINC001275688649 916018237 /nfs/dbraw/zinc/01/82/37/916018237.db2.gz TYZQBLBTTSCGGD-HXUWFJFHSA-N 1 2 378.900 3.500 20 30 GHEDLO CCCCCCCCNC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001191046583 917750164 /nfs/dbraw/zinc/75/01/64/917750164.db2.gz FRLKUVDXKLJTDJ-UHFFFAOYSA-N 1 2 391.556 3.557 20 30 GHEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000363289113 918035533 /nfs/dbraw/zinc/03/55/33/918035533.db2.gz RLUAPAWJUWILDU-OALUTQOASA-N 1 2 378.863 3.620 20 30 GHEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000363289113 918035539 /nfs/dbraw/zinc/03/55/39/918035539.db2.gz RLUAPAWJUWILDU-OALUTQOASA-N 1 2 378.863 3.620 20 30 GHEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c(Cl)cccc1C(F)(F)F ZINC001276373604 919597815 /nfs/dbraw/zinc/59/78/15/919597815.db2.gz HBYLHQCMBUXJNM-SFHVURJKSA-N 1 2 384.829 3.949 20 30 GHEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c(Cl)cccc1C(F)(F)F ZINC001276373604 919597837 /nfs/dbraw/zinc/59/78/37/919597837.db2.gz HBYLHQCMBUXJNM-SFHVURJKSA-N 1 2 384.829 3.949 20 30 GHEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(F)c(Br)c1 ZINC001275965115 920330274 /nfs/dbraw/zinc/33/02/74/920330274.db2.gz DFSCKFUHRPMNKP-SFHVURJKSA-N 1 2 381.289 3.731 20 30 GHEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(F)c(Br)c1 ZINC001275965115 920330288 /nfs/dbraw/zinc/33/02/88/920330288.db2.gz DFSCKFUHRPMNKP-SFHVURJKSA-N 1 2 381.289 3.731 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+]2Cc2ccc(F)cc2Br)C1=O ZINC001275965897 920343275 /nfs/dbraw/zinc/34/32/75/920343275.db2.gz QHTJBACVSXXHSW-GOSISDBHSA-N 1 2 381.289 3.731 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2ccc(F)cc2Br)C1=O ZINC001275965897 920343284 /nfs/dbraw/zinc/34/32/84/920343284.db2.gz QHTJBACVSXXHSW-GOSISDBHSA-N 1 2 381.289 3.731 20 30 GHEDLO CSc1ccccc1NC(=O)CC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000367129554 921936102 /nfs/dbraw/zinc/93/61/02/921936102.db2.gz UDEGGFMZDWPJMX-LJQANCHMSA-N 1 2 381.501 3.682 20 30 GHEDLO CSc1ccccc1NC(=O)CC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000367129554 921936113 /nfs/dbraw/zinc/93/61/13/921936113.db2.gz UDEGGFMZDWPJMX-LJQANCHMSA-N 1 2 381.501 3.682 20 30 GHEDLO Cn1c2ccccc2nc1[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000368491892 922710106 /nfs/dbraw/zinc/71/01/06/922710106.db2.gz XZNVRWRUUJNTTN-HSZRJFAPSA-N 1 2 392.466 3.972 20 30 GHEDLO Cc1nc(NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)sc1SCC#N ZINC000369650065 923514607 /nfs/dbraw/zinc/51/46/07/923514607.db2.gz VJNFNGGFLJNTBO-NSHDSACASA-N 1 2 375.523 3.657 20 30 GHEDLO Cc1nc(NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)sc1SCC#N ZINC000369650065 923514620 /nfs/dbraw/zinc/51/46/20/923514620.db2.gz VJNFNGGFLJNTBO-NSHDSACASA-N 1 2 375.523 3.657 20 30 GHEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(O)(c2scnc2Br)CC1 ZINC000369702212 923554153 /nfs/dbraw/zinc/55/41/53/923554153.db2.gz HSWYIWYFGYXUHN-GFCCVEGCSA-N 1 2 392.322 3.822 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cc1 ZINC000369817637 923644023 /nfs/dbraw/zinc/64/40/23/923644023.db2.gz CTOBAMMEFZGBMY-INIZCTEOSA-N 1 2 380.492 3.984 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cc1 ZINC000369817637 923644029 /nfs/dbraw/zinc/64/40/29/923644029.db2.gz CTOBAMMEFZGBMY-INIZCTEOSA-N 1 2 380.492 3.984 20 30 GHEDLO CCc1ccc([C@@H](C)NC(=O)[C@H](C)[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1 ZINC000370309332 924025931 /nfs/dbraw/zinc/02/59/31/924025931.db2.gz SJPMDSDNTKHVSD-MOPGFXCFSA-N 1 2 390.531 3.767 20 30 GHEDLO C[C@H](CCC#N)[NH+]1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC000411173492 926167752 /nfs/dbraw/zinc/16/77/52/926167752.db2.gz MXRFPSRXNYUIPT-LJQANCHMSA-N 1 2 377.488 3.716 20 30 GHEDLO Cc1sc(NC(=O)C[N@@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)c(C#N)c1C ZINC000750043435 927402172 /nfs/dbraw/zinc/40/21/72/927402172.db2.gz CBZMISKPYVLALQ-AZUAARDMSA-N 1 2 383.517 3.763 20 30 GHEDLO Cc1sc(NC(=O)C[N@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)c(C#N)c1C ZINC000750043435 927402176 /nfs/dbraw/zinc/40/21/76/927402176.db2.gz CBZMISKPYVLALQ-AZUAARDMSA-N 1 2 383.517 3.763 20 30 GHEDLO Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCC[N@@H+]1CCCSCC#N ZINC000374803208 927539163 /nfs/dbraw/zinc/53/91/63/927539163.db2.gz UCGAZRMPXRJTJB-LJQANCHMSA-N 1 2 388.512 3.648 20 30 GHEDLO Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCC[N@H+]1CCCSCC#N ZINC000374803208 927539167 /nfs/dbraw/zinc/53/91/67/927539167.db2.gz UCGAZRMPXRJTJB-LJQANCHMSA-N 1 2 388.512 3.648 20 30 GHEDLO C=CCNC(=O)NC(=O)C[NH2+][C@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC000544188920 928909890 /nfs/dbraw/zinc/90/98/90/928909890.db2.gz JPALHUZRDNVQHY-GOSISDBHSA-N 1 2 392.286 3.684 20 30 GHEDLO C=CCn1c(C)nn(C[N@@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c1=S ZINC000758265263 929995201 /nfs/dbraw/zinc/99/52/01/929995201.db2.gz WFMZTIXPSDDHFC-ROUUACIJSA-N 1 2 376.501 3.857 20 30 GHEDLO C=CCn1c(C)nn(C[N@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c1=S ZINC000758265263 929995204 /nfs/dbraw/zinc/99/52/04/929995204.db2.gz WFMZTIXPSDDHFC-ROUUACIJSA-N 1 2 376.501 3.857 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCOc3ccc4ccccc4c3)CC2)cc1 ZINC000557594450 931562553 /nfs/dbraw/zinc/56/25/53/931562553.db2.gz AUQMWERZTSYPCL-UHFFFAOYSA-N 1 2 399.494 3.825 20 30 GHEDLO Cc1cc(Br)cn2c(C=C3CCc4[nH]c(=O)ccc4C3=O)c[nH+]c12 ZINC000783709554 931625144 /nfs/dbraw/zinc/62/51/44/931625144.db2.gz PRFNBDMJKBHUSE-YRNVUSSQSA-N 1 2 384.233 3.718 20 30 GHEDLO CC[C@@H]([NH2+]Cc1nnc2n1CCC[C@H]2C(F)(F)F)c1cccc(C#N)c1O ZINC000925173703 931689627 /nfs/dbraw/zinc/68/96/27/931689627.db2.gz ZFSLZMOXBLKFFI-ZIAGYGMSSA-N 1 2 379.386 3.536 20 30 GHEDLO C=CCOCCSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1 ZINC000558808000 932246177 /nfs/dbraw/zinc/24/61/77/932246177.db2.gz QWQNEEIJTBVLKF-UHFFFAOYSA-N 1 2 376.501 3.687 20 30 GHEDLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C)c(C#N)c1 ZINC000799354036 932962694 /nfs/dbraw/zinc/96/26/94/932962694.db2.gz ZANABXQQJUXKHB-SBUREZEXSA-N 1 2 390.531 3.943 20 30 GHEDLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C)c(C#N)c1 ZINC000799354036 932962700 /nfs/dbraw/zinc/96/27/00/932962700.db2.gz ZANABXQQJUXKHB-SBUREZEXSA-N 1 2 390.531 3.943 20 30 GHEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)NC(=O)NCc1ccccc1 ZINC000560706179 933477902 /nfs/dbraw/zinc/47/79/02/933477902.db2.gz HHJAWASGXSWYMI-AWEZNQCLSA-N 1 2 391.924 3.804 20 30 GHEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H](C)C(=O)NC(=O)NCc1ccccc1 ZINC000560706179 933477907 /nfs/dbraw/zinc/47/79/07/933477907.db2.gz HHJAWASGXSWYMI-AWEZNQCLSA-N 1 2 391.924 3.804 20 30 GHEDLO COc1cc(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)ccc1C#N ZINC001118639079 934215175 /nfs/dbraw/zinc/21/51/75/934215175.db2.gz LBPFLNFRYXARFT-UHFFFAOYSA-N 1 2 389.459 3.681 20 30 GHEDLO C=CCn1c(-c2ccco2)nnc1N1CC[NH+]([C@H](C)c2ccc(F)cc2F)CC1 ZINC001121371748 934640446 /nfs/dbraw/zinc/64/04/46/934640446.db2.gz QVBQZHBPGONDAK-OAHLLOKOSA-N 1 2 399.445 3.886 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@@H](OC(C)C)C1 ZINC001121581143 934705173 /nfs/dbraw/zinc/70/51/73/934705173.db2.gz IFFKAISQUMMAIQ-AZUAARDMSA-N 1 2 383.540 3.661 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@@H](OC(C)C)C1 ZINC001121581143 934705179 /nfs/dbraw/zinc/70/51/79/934705179.db2.gz IFFKAISQUMMAIQ-AZUAARDMSA-N 1 2 383.540 3.661 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC2(CCCC2)OC[C@H]1C ZINC001121591430 934709607 /nfs/dbraw/zinc/70/96/07/934709607.db2.gz YRZONTVUGCRDKW-RTBURBONSA-N 1 2 398.555 3.834 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1Cc2ccc(OC)cc2C1 ZINC001121690369 934740299 /nfs/dbraw/zinc/74/02/99/934740299.db2.gz OVCPGIXOTWMZRH-HXUWFJFHSA-N 1 2 392.507 3.825 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@H](c2ccccc2)[C@H]1C ZINC001121799884 934767509 /nfs/dbraw/zinc/76/75/09/934767509.db2.gz BTBUMUNYHFSOCQ-NQIIRXRSSA-N 1 2 392.551 3.773 20 30 GHEDLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(C(=O)NCc2ccc(C#N)c(F)c2)C1 ZINC001122023351 934803770 /nfs/dbraw/zinc/80/37/70/934803770.db2.gz MOUGKCRKEPGFAY-QGZVFWFLSA-N 1 2 383.471 3.738 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[C@H](c2nc(C)cs2)C1 ZINC001122536744 934892798 /nfs/dbraw/zinc/89/27/98/934892798.db2.gz LSSWHECKSRAXPS-DLBZAZTESA-N 1 2 386.569 3.770 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[C@H](c2nc(C)cs2)C1 ZINC001122536744 934892802 /nfs/dbraw/zinc/89/28/02/934892802.db2.gz LSSWHECKSRAXPS-DLBZAZTESA-N 1 2 386.569 3.770 20 30 GHEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCC[C@@H]1C1CCC1 ZINC001122626870 934925429 /nfs/dbraw/zinc/92/54/29/934925429.db2.gz FCRRKGGTWHYORC-ZCNNSNEGSA-N 1 2 385.556 3.549 20 30 GHEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCC[C@@H]1C1CCC1 ZINC001122626870 934925433 /nfs/dbraw/zinc/92/54/33/934925433.db2.gz FCRRKGGTWHYORC-ZCNNSNEGSA-N 1 2 385.556 3.549 20 30 GHEDLO CC(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)Cc1cccs1 ZINC001122741050 934968197 /nfs/dbraw/zinc/96/81/97/934968197.db2.gz YFCKUVZIHPEDIO-UHFFFAOYSA-N 1 2 386.569 3.725 20 30 GHEDLO C=CC[C@H]1CCCN(c2nnc([C@@H]3CCCC[N@H+]3C)n2Cc2cc(C)on2)C1 ZINC001123858250 935310629 /nfs/dbraw/zinc/31/06/29/935310629.db2.gz YDAVFHWDIAQDEX-HKUYNNGSSA-N 1 2 384.528 3.572 20 30 GHEDLO C=CC[C@H]1CCCN(c2nnc([C@@H]3CCCC[N@@H+]3C)n2Cc2cc(C)on2)C1 ZINC001123858250 935310635 /nfs/dbraw/zinc/31/06/35/935310635.db2.gz YDAVFHWDIAQDEX-HKUYNNGSSA-N 1 2 384.528 3.572 20 30 GHEDLO N#Cc1cccc(N2CC[NH+](Cc3c(Cl)cccc3N3CCCC3)CC2)n1 ZINC000544931923 1015235111 /nfs/dbraw/zinc/23/51/11/1015235111.db2.gz ZBDLDDKUPQYWKE-UHFFFAOYSA-N 1 2 381.911 3.529 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000468902501 1016192659 /nfs/dbraw/zinc/19/26/59/1016192659.db2.gz HMAWNNZNKMRABY-QGZVFWFLSA-N 1 2 386.455 3.560 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000468902501 1016192666 /nfs/dbraw/zinc/19/26/66/1016192666.db2.gz HMAWNNZNKMRABY-QGZVFWFLSA-N 1 2 386.455 3.560 20 30 GHEDLO C=CCc1c(O)ccc(C(C)=O)c1O[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001227120574 1032278078 /nfs/dbraw/zinc/27/80/78/1032278078.db2.gz OBCLNHHNGSEZBU-LJQANCHMSA-N 1 2 376.456 3.848 20 30 GHEDLO C=CCc1c(O)ccc(C(C)=O)c1O[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001227120574 1032278090 /nfs/dbraw/zinc/27/80/90/1032278090.db2.gz OBCLNHHNGSEZBU-LJQANCHMSA-N 1 2 376.456 3.848 20 30 GHEDLO C=CCN(C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)[C@H](C)COC ZINC001227422565 1032414732 /nfs/dbraw/zinc/41/47/32/1032414732.db2.gz LRSOTWNINWIIQM-QAPCUYQASA-N 1 2 397.922 3.676 20 30 GHEDLO C=CCN(C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)[C@H](C)COC ZINC001227422565 1032414737 /nfs/dbraw/zinc/41/47/37/1032414737.db2.gz LRSOTWNINWIIQM-QAPCUYQASA-N 1 2 397.922 3.676 20 30 GHEDLO C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(Cl)ncc1C(F)(F)F)CC2 ZINC001277240648 1032604180 /nfs/dbraw/zinc/60/41/80/1032604180.db2.gz YOAAEIKJNCDBJF-ZDUSSCGKSA-N 1 2 387.833 3.658 20 30 GHEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N(C)Cc2cc(C#N)cs2)C[C@@H](C)O1 ZINC000929768074 1017737976 /nfs/dbraw/zinc/73/79/76/1017737976.db2.gz HGJMINVDBPZAEA-HZPDHXFCSA-N 1 2 398.532 3.893 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[NH+](Cc2cccc(Nc3cccc(C#N)n3)c2)CC1 ZINC001204316639 1032761091 /nfs/dbraw/zinc/76/10/91/1032761091.db2.gz MCJMSNRPAIDHMN-UHFFFAOYSA-N 1 2 393.491 3.750 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(O)(C2CCC2)CC1 ZINC000932819162 1018690514 /nfs/dbraw/zinc/69/05/14/1018690514.db2.gz VYVAYXHVCKDQMI-INIZCTEOSA-N 1 2 387.549 3.646 20 30 GHEDLO N#Cc1cncc(C[N@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c1 ZINC000932942361 1018770766 /nfs/dbraw/zinc/77/07/66/1018770766.db2.gz YHJJVUWJFRNHGK-PHIMTYICSA-N 1 2 385.258 3.556 20 30 GHEDLO N#Cc1cncc(C[N@@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c1 ZINC000932942361 1018770775 /nfs/dbraw/zinc/77/07/75/1018770775.db2.gz YHJJVUWJFRNHGK-PHIMTYICSA-N 1 2 385.258 3.556 20 30 GHEDLO CCCCCCOc1ccc(C[NH+]2CCN(c3nccnc3C#N)CC2)cc1 ZINC001204366182 1032807783 /nfs/dbraw/zinc/80/77/83/1032807783.db2.gz HMHJGGNDZZMOFH-UHFFFAOYSA-N 1 2 379.508 3.630 20 30 GHEDLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc(C#N)c1 ZINC000155793611 1019553682 /nfs/dbraw/zinc/55/36/82/1019553682.db2.gz XHPMDQHAISGXJH-HTAPYJJXSA-N 1 2 376.504 3.634 20 30 GHEDLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc(C#N)c1 ZINC000155793611 1019553694 /nfs/dbraw/zinc/55/36/94/1019553694.db2.gz XHPMDQHAISGXJH-HTAPYJJXSA-N 1 2 376.504 3.634 20 30 GHEDLO COc1c(C)c[nH+]c(CN(C)C(=O)C#Cc2ccc(C(F)(F)F)cc2)c1C ZINC000190705759 1020715849 /nfs/dbraw/zinc/71/58/49/1020715849.db2.gz MHBOHYAHQUTWPW-UHFFFAOYSA-N 1 2 376.378 3.736 20 30 GHEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3cc(Br)ccc3F)CC2)nc1 ZINC001204498815 1032930634 /nfs/dbraw/zinc/93/06/34/1032930634.db2.gz SFRPAUZTDXMDGU-UHFFFAOYSA-N 1 2 389.272 3.567 20 30 GHEDLO N#Cc1ccc(N2CCC[N@H+](Cc3cc(Br)ccc3F)CC2)nc1 ZINC001204498815 1032930645 /nfs/dbraw/zinc/93/06/45/1032930645.db2.gz SFRPAUZTDXMDGU-UHFFFAOYSA-N 1 2 389.272 3.567 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ncc(Br)cc1C ZINC001277299793 1032935472 /nfs/dbraw/zinc/93/54/72/1032935472.db2.gz BSWPGKQRFJYCQU-IBGZPJMESA-N 1 2 392.341 3.686 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ncc(Br)cc1C ZINC001277299793 1032935475 /nfs/dbraw/zinc/93/54/75/1032935475.db2.gz BSWPGKQRFJYCQU-IBGZPJMESA-N 1 2 392.341 3.686 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1cccc(-c2nccs2)c1 ZINC001140334460 1021432542 /nfs/dbraw/zinc/43/25/42/1021432542.db2.gz BUMWHWPNESVTTD-LJQANCHMSA-N 1 2 380.517 3.846 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1cccc(-c2nccs2)c1 ZINC001140334460 1021432548 /nfs/dbraw/zinc/43/25/48/1021432548.db2.gz BUMWHWPNESVTTD-LJQANCHMSA-N 1 2 380.517 3.846 20 30 GHEDLO C=CCOCc1ncn2c1C[N@H+](Cc1ccc(OC)c(OCC3CC3)c1)CCC2 ZINC001140492399 1021835961 /nfs/dbraw/zinc/83/59/61/1021835961.db2.gz HVYVTTORUBXRME-UHFFFAOYSA-N 1 2 397.519 3.789 20 30 GHEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1ccc(OC)c(OCC3CC3)c1)CCC2 ZINC001140492399 1021835979 /nfs/dbraw/zinc/83/59/79/1021835979.db2.gz HVYVTTORUBXRME-UHFFFAOYSA-N 1 2 397.519 3.789 20 30 GHEDLO COCC[N@H+](Cc1cc(C#N)ccc1Cl)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140604127 1022054722 /nfs/dbraw/zinc/05/47/22/1022054722.db2.gz RCTICEPGNYRSOD-QGZVFWFLSA-N 1 2 393.915 3.669 20 30 GHEDLO COCC[N@@H+](Cc1cc(C#N)ccc1Cl)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140604127 1022054738 /nfs/dbraw/zinc/05/47/38/1022054738.db2.gz RCTICEPGNYRSOD-QGZVFWFLSA-N 1 2 393.915 3.669 20 30 GHEDLO Cc1csc([C@H]2C[C@@H]3CC[N@H+](Cc4cc(F)c(C#N)c(F)c4)C[C@H]3O2)n1 ZINC001140751804 1022433741 /nfs/dbraw/zinc/43/37/41/1022433741.db2.gz HVOGAURUVRKYFL-MORSLUCNSA-N 1 2 375.444 3.954 20 30 GHEDLO Cc1csc([C@H]2C[C@@H]3CC[N@@H+](Cc4cc(F)c(C#N)c(F)c4)C[C@H]3O2)n1 ZINC001140751804 1022433747 /nfs/dbraw/zinc/43/37/47/1022433747.db2.gz HVOGAURUVRKYFL-MORSLUCNSA-N 1 2 375.444 3.954 20 30 GHEDLO Cc1cnc([C@H]([NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C2CC2)s1 ZINC000754416391 1022690971 /nfs/dbraw/zinc/69/09/71/1022690971.db2.gz BSPKESGUDSBOAC-HNAYVOBHSA-N 1 2 389.484 3.730 20 30 GHEDLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000755042653 1023040347 /nfs/dbraw/zinc/04/03/47/1023040347.db2.gz TXWPVCKIBUBMMY-HNNXBMFYSA-N 1 2 394.313 3.762 20 30 GHEDLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000755042653 1023040357 /nfs/dbraw/zinc/04/03/57/1023040357.db2.gz TXWPVCKIBUBMMY-HNNXBMFYSA-N 1 2 394.313 3.762 20 30 GHEDLO C#CCOc1cc(F)ccc1NC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000755408688 1023235481 /nfs/dbraw/zinc/23/54/81/1023235481.db2.gz OGRGPLKVMIAHSO-UHFFFAOYSA-N 1 2 390.418 3.801 20 30 GHEDLO C[C@H]1CC[N@H+](Cc2sc(N)c(C#N)c2Cl)CCN1C(=O)OC(C)(C)C ZINC001141107526 1023516689 /nfs/dbraw/zinc/51/66/89/1023516689.db2.gz YJYSLWYARBUKKF-NSHDSACASA-N 1 2 384.933 3.687 20 30 GHEDLO C[C@H]1CC[N@@H+](Cc2sc(N)c(C#N)c2Cl)CCN1C(=O)OC(C)(C)C ZINC001141107526 1023516694 /nfs/dbraw/zinc/51/66/94/1023516694.db2.gz YJYSLWYARBUKKF-NSHDSACASA-N 1 2 384.933 3.687 20 30 GHEDLO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@@H+]1Cc1sc(N)c(C#N)c1Cl ZINC001141108925 1023521277 /nfs/dbraw/zinc/52/12/77/1023521277.db2.gz JFIWBLUAYCGYLF-LLVKDONJSA-N 1 2 384.933 3.735 20 30 GHEDLO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@H+]1Cc1sc(N)c(C#N)c1Cl ZINC001141108925 1023521287 /nfs/dbraw/zinc/52/12/87/1023521287.db2.gz JFIWBLUAYCGYLF-LLVKDONJSA-N 1 2 384.933 3.735 20 30 GHEDLO CC[N@H+](Cc1cc(Cl)ccc1OCC#N)C1CN(C(=O)OC(C)(C)C)C1 ZINC000756609612 1023737200 /nfs/dbraw/zinc/73/72/00/1023737200.db2.gz OEVYVLHWSJFQGR-UHFFFAOYSA-N 1 2 379.888 3.684 20 30 GHEDLO CC[N@@H+](Cc1cc(Cl)ccc1OCC#N)C1CN(C(=O)OC(C)(C)C)C1 ZINC000756609612 1023737209 /nfs/dbraw/zinc/73/72/09/1023737209.db2.gz OEVYVLHWSJFQGR-UHFFFAOYSA-N 1 2 379.888 3.684 20 30 GHEDLO C=CCn1c(-c2ccccc2F)nn(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c1=S ZINC000756890582 1023847992 /nfs/dbraw/zinc/84/79/92/1023847992.db2.gz TTZSGWONUFCXMD-CRAIPNDOSA-N 1 2 388.512 3.865 20 30 GHEDLO C=CCn1c(-c2ccccc2F)nn(C[N@H+]2CCC[C@@H]3COCC[C@H]32)c1=S ZINC000756890582 1023848000 /nfs/dbraw/zinc/84/80/00/1023848000.db2.gz TTZSGWONUFCXMD-CRAIPNDOSA-N 1 2 388.512 3.865 20 30 GHEDLO C#CC[C@H](NC(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1)c1ccccc1 ZINC000757059567 1023922986 /nfs/dbraw/zinc/92/29/86/1023922986.db2.gz XHYNHLYRKVQXAW-NRFANRHFSA-N 1 2 381.545 3.902 20 30 GHEDLO CC(C)c1nccc([C@@H]2C[C@@H]3CC[N@H+](Cc4ccc(F)cc4C#N)C[C@H]3O2)n1 ZINC001141163626 1023990105 /nfs/dbraw/zinc/99/01/05/1023990105.db2.gz MSDHKMKUXJRBPM-ONGXBYRLSA-N 1 2 380.467 3.963 20 30 GHEDLO CC(C)c1nccc([C@@H]2C[C@@H]3CC[N@@H+](Cc4ccc(F)cc4C#N)C[C@H]3O2)n1 ZINC001141163626 1023990106 /nfs/dbraw/zinc/99/01/06/1023990106.db2.gz MSDHKMKUXJRBPM-ONGXBYRLSA-N 1 2 380.467 3.963 20 30 GHEDLO C[C@@H]1CN(C2C[NH+](Cc3ccc(Oc4ccc(C#N)cc4)cc3)C2)C[C@H](C)O1 ZINC001141297879 1024442282 /nfs/dbraw/zinc/44/22/82/1024442282.db2.gz DRNILDZDQRWHJX-HDICACEKSA-N 1 2 377.488 3.644 20 30 GHEDLO C[C@@H]1C[N@H+](C2CN(Cc3ccc(Oc4ccc(C#N)cc4)cc3)C2)C[C@H](C)O1 ZINC001141297879 1024442286 /nfs/dbraw/zinc/44/22/86/1024442286.db2.gz DRNILDZDQRWHJX-HDICACEKSA-N 1 2 377.488 3.644 20 30 GHEDLO C[C@@H]1C[N@@H+](C2CN(Cc3ccc(Oc4ccc(C#N)cc4)cc3)C2)C[C@H](C)O1 ZINC001141297879 1024442292 /nfs/dbraw/zinc/44/22/92/1024442292.db2.gz DRNILDZDQRWHJX-HDICACEKSA-N 1 2 377.488 3.644 20 30 GHEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1cc3c(cc1Cl)OCO3)CCO2 ZINC001138243580 1024451798 /nfs/dbraw/zinc/45/17/98/1024451798.db2.gz KKWGUVGMLKWRJS-OXQOHEQNSA-N 1 2 379.884 3.642 20 30 GHEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1cc3c(cc1Cl)OCO3)CCO2 ZINC001138243580 1024451807 /nfs/dbraw/zinc/45/18/07/1024451807.db2.gz KKWGUVGMLKWRJS-OXQOHEQNSA-N 1 2 379.884 3.642 20 30 GHEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1cnc3[nH]ccc3c1Cl)CCO2 ZINC001138932045 1025604075 /nfs/dbraw/zinc/60/40/75/1025604075.db2.gz OONVEKDUOCEWCX-OXQOHEQNSA-N 1 2 375.900 3.742 20 30 GHEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1cnc3[nH]ccc3c1Cl)CCO2 ZINC001138932045 1025604081 /nfs/dbraw/zinc/60/40/81/1025604081.db2.gz OONVEKDUOCEWCX-OXQOHEQNSA-N 1 2 375.900 3.742 20 30 GHEDLO C=CCOc1ccccc1C[N@@H+]1Cc2ncn(CC3CC3)c2[C@H](COCC)C1 ZINC001139029284 1025796292 /nfs/dbraw/zinc/79/62/92/1025796292.db2.gz RYKFOEYCTWKNIO-FQEVSTJZSA-N 1 2 381.520 3.994 20 30 GHEDLO C=CCOc1ccccc1C[N@H+]1Cc2ncn(CC3CC3)c2[C@H](COCC)C1 ZINC001139029284 1025796303 /nfs/dbraw/zinc/79/63/03/1025796303.db2.gz RYKFOEYCTWKNIO-FQEVSTJZSA-N 1 2 381.520 3.994 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)[C@H]2C[C@H]21 ZINC001139402772 1026274325 /nfs/dbraw/zinc/27/43/25/1026274325.db2.gz XAQYKVFCLJLDCL-LEWJYISDSA-N 1 2 390.487 3.814 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)[C@H]2C[C@H]21 ZINC001139402772 1026274334 /nfs/dbraw/zinc/27/43/34/1026274334.db2.gz XAQYKVFCLJLDCL-LEWJYISDSA-N 1 2 390.487 3.814 20 30 GHEDLO Cc1ccc2c(n1)N(Cc1ccncc1)CC[N@@H+](Cc1ccc(C#N)c(F)c1)C2 ZINC001139528928 1026388404 /nfs/dbraw/zinc/38/84/04/1026388404.db2.gz YJLADDDDWMPXKS-UHFFFAOYSA-N 1 2 387.462 3.818 20 30 GHEDLO Cc1ccc2c(n1)N(Cc1ccncc1)CC[N@H+](Cc1ccc(C#N)c(F)c1)C2 ZINC001139528928 1026388416 /nfs/dbraw/zinc/38/84/16/1026388416.db2.gz YJLADDDDWMPXKS-UHFFFAOYSA-N 1 2 387.462 3.818 20 30 GHEDLO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](Cc3cccc(Cl)c3C#N)C[C@@H]12 ZINC001139689722 1026542258 /nfs/dbraw/zinc/54/22/58/1026542258.db2.gz TYIJAPBGYBVOSO-PKTZIBPZSA-N 1 2 393.918 3.976 20 30 GHEDLO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3cccc(Cl)c3C#N)C[C@@H]12 ZINC001139689722 1026542260 /nfs/dbraw/zinc/54/22/60/1026542260.db2.gz TYIJAPBGYBVOSO-PKTZIBPZSA-N 1 2 393.918 3.976 20 30 GHEDLO N#Cc1cccc(N2CCOC[C@@]3(CCCN(c4cc5ccccc5c[nH+]4)C3)C2)n1 ZINC001165518088 1026751575 /nfs/dbraw/zinc/75/15/75/1026751575.db2.gz FCXBMQIKXIURSU-XMMPIXPASA-N 1 2 399.498 3.625 20 30 GHEDLO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cc(Br)cnc1F)C2 ZINC001140004094 1026790986 /nfs/dbraw/zinc/79/09/86/1026790986.db2.gz ZPXXPDVDJACNHD-AEFFLSMTSA-N 1 2 399.304 3.557 20 30 GHEDLO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1cc(Br)cnc1F)C2 ZINC001140004094 1026790998 /nfs/dbraw/zinc/79/09/98/1026790998.db2.gz ZPXXPDVDJACNHD-AEFFLSMTSA-N 1 2 399.304 3.557 20 30 GHEDLO N#Cc1nc(N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)c(Cl)cc1Cl ZINC001165694445 1026801297 /nfs/dbraw/zinc/80/12/97/1026801297.db2.gz XFVNAONAQCJRSI-ZDUSSCGKSA-N 1 2 392.290 3.520 20 30 GHEDLO CC(C)(C)OC(=O)c1ccc(N2CC[NH+](Cc3ccc(C#N)cc3F)CC2)cc1 ZINC001140139831 1026914032 /nfs/dbraw/zinc/91/40/32/1026914032.db2.gz MRUMMECENRQYFB-UHFFFAOYSA-N 1 2 395.478 3.975 20 30 GHEDLO CN(C)C(=O)N[C@H]1c2ccccc2[C@@H]2CN(c3[nH+]ccc4ccc(C#N)cc43)C[C@@H]21 ZINC001166353305 1026980874 /nfs/dbraw/zinc/98/08/74/1026980874.db2.gz ZYWHXKVYYOYGKW-FKBYEOEOSA-N 1 2 397.482 3.652 20 30 GHEDLO N#Cc1c[nH]c2cc[nH+]c(N3CCC[C@@]4(C[C@H](OCC5CCCC5)CO4)C3)c12 ZINC001166364123 1026984365 /nfs/dbraw/zinc/98/43/65/1026984365.db2.gz IZRQCXBAYTYKLC-PGRDOPGGSA-N 1 2 380.492 3.769 20 30 GHEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(Br)c(F)c1)C2 ZINC001140212401 1026987306 /nfs/dbraw/zinc/98/73/06/1026987306.db2.gz IUHDYOHGSBGVSI-QAPCUYQASA-N 1 2 384.289 3.914 20 30 GHEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(Br)c(F)c1)C2 ZINC001140212401 1026987313 /nfs/dbraw/zinc/98/73/13/1026987313.db2.gz IUHDYOHGSBGVSI-QAPCUYQASA-N 1 2 384.289 3.914 20 30 GHEDLO CC(C)COC[C@H]1C[N@H+](Cc2c[nH]c3cc(C#N)ccc23)Cc2ncn(C)c21 ZINC001142916174 1029688684 /nfs/dbraw/zinc/68/86/84/1029688684.db2.gz ORKXFASNBSVSCG-GOSISDBHSA-N 1 2 377.492 3.545 20 30 GHEDLO CC(C)COC[C@H]1C[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)Cc2ncn(C)c21 ZINC001142916174 1029688689 /nfs/dbraw/zinc/68/86/89/1029688689.db2.gz ORKXFASNBSVSCG-GOSISDBHSA-N 1 2 377.492 3.545 20 30 GHEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)c1F ZINC001143166130 1029878224 /nfs/dbraw/zinc/87/82/24/1029878224.db2.gz GEIRRRJSRUTZLK-SIKLNZKXSA-N 1 2 399.441 3.682 20 30 GHEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)c1F ZINC001143166130 1029878226 /nfs/dbraw/zinc/87/82/26/1029878226.db2.gz GEIRRRJSRUTZLK-SIKLNZKXSA-N 1 2 399.441 3.682 20 30 GHEDLO C=CCc1cc(C(=O)NCCn2c[nH+]cc2-c2ccccc2)cc(OC)c1OC ZINC001149856837 1030327775 /nfs/dbraw/zinc/32/77/75/1030327775.db2.gz WBLXEXLLWMDAHW-UHFFFAOYSA-N 1 2 391.471 3.726 20 30 GHEDLO Cc1nn(C(C)(C)C)c2nc(Cl)c(C[NH2+]CC3(C#N)CCOCC3)cc12 ZINC001461814485 1069765461 /nfs/dbraw/zinc/76/54/61/1069765461.db2.gz FEAUYJFNUAOEKK-UHFFFAOYSA-N 1 2 375.904 3.558 20 30 GHEDLO C[C@@H](Oc1nc(C(C)(C)C)ccc1C#N)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001226548998 1032006524 /nfs/dbraw/zinc/00/65/24/1032006524.db2.gz DUOOJXCHRFXOKV-YLJYHZDGSA-N 1 2 379.504 3.919 20 30 GHEDLO C[C@@H](Oc1nc(C(C)(C)C)ccc1C#N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001226548998 1032006544 /nfs/dbraw/zinc/00/65/44/1032006544.db2.gz DUOOJXCHRFXOKV-YLJYHZDGSA-N 1 2 379.504 3.919 20 30 GHEDLO N#Cc1ccccc1Sc1ccc(NC(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC001205359863 1033376332 /nfs/dbraw/zinc/37/63/32/1033376332.db2.gz UDHBNNGVFCPEOT-UHFFFAOYSA-N 1 2 375.457 3.954 20 30 GHEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cccc(Br)c1Cl ZINC001277392340 1033515686 /nfs/dbraw/zinc/51/56/86/1033515686.db2.gz VTZAVYJGJJDPQS-GOSISDBHSA-N 1 2 395.728 3.693 20 30 GHEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(Br)c1Cl ZINC001277392340 1033515691 /nfs/dbraw/zinc/51/56/91/1033515691.db2.gz VTZAVYJGJJDPQS-GOSISDBHSA-N 1 2 395.728 3.693 20 30 GHEDLO N#C[C@H](Oc1nc(=O)[nH]c2c1CC[N@H+](Cc1ccccc1)C2)c1ccccc1F ZINC001230185514 1033935415 /nfs/dbraw/zinc/93/54/15/1033935415.db2.gz FZNDEBKUZSHSND-FQEVSTJZSA-N 1 2 390.418 3.523 20 30 GHEDLO N#C[C@H](Oc1nc(=O)[nH]c2c1CC[N@@H+](Cc1ccccc1)C2)c1ccccc1F ZINC001230185514 1033935421 /nfs/dbraw/zinc/93/54/21/1033935421.db2.gz FZNDEBKUZSHSND-FQEVSTJZSA-N 1 2 390.418 3.523 20 30 GHEDLO COC(=O)[C@@H]1C[C@@H](Nc2nc(-c3ccccc3)c(-c3ccccc3)cc2C#N)C[NH2+]1 ZINC001158256819 1033990231 /nfs/dbraw/zinc/99/02/31/1033990231.db2.gz UJERCLBGXCMUFB-CTNGQTDRSA-N 1 2 398.466 3.603 20 30 GHEDLO N#Cc1cccc2c(O[C@H]3CCC[N@@H+](Cc4cnc(Cl)s4)C3)ncnc12 ZINC001231042056 1034359503 /nfs/dbraw/zinc/35/95/03/1034359503.db2.gz ZFCOTBUWPJBCBX-ZDUSSCGKSA-N 1 2 385.880 3.655 20 30 GHEDLO N#Cc1cccc2c(O[C@H]3CCC[N@H+](Cc4cnc(Cl)s4)C3)ncnc12 ZINC001231042056 1034359517 /nfs/dbraw/zinc/35/95/17/1034359517.db2.gz ZFCOTBUWPJBCBX-ZDUSSCGKSA-N 1 2 385.880 3.655 20 30 GHEDLO CCOC[C@H]1C[N@H+](Cc2ccccc2C#Cc2ccccc2)Cc2ncn(C)c21 ZINC001231577577 1034728663 /nfs/dbraw/zinc/72/86/63/1034728663.db2.gz YADARXXDDNMPOY-HSZRJFAPSA-N 1 2 385.511 3.956 20 30 GHEDLO CCOC[C@H]1C[N@@H+](Cc2ccccc2C#Cc2ccccc2)Cc2ncn(C)c21 ZINC001231577577 1034728675 /nfs/dbraw/zinc/72/86/75/1034728675.db2.gz YADARXXDDNMPOY-HSZRJFAPSA-N 1 2 385.511 3.956 20 30 GHEDLO CC(C)(C)C#CCNc1ncccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC001160393473 1034964260 /nfs/dbraw/zinc/96/42/60/1034964260.db2.gz JMTMHMJSVOWPNP-UHFFFAOYSA-N 1 2 390.531 3.501 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[N@H+](CCCc2ccc(C#N)cc2)C[C@H]1C(F)(F)F ZINC001208864361 1035065811 /nfs/dbraw/zinc/06/58/11/1035065811.db2.gz QJIGARPCWGXFBK-KRWDZBQOSA-N 1 2 397.441 3.974 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[N@@H+](CCCc2ccc(C#N)cc2)C[C@H]1C(F)(F)F ZINC001208864361 1035065817 /nfs/dbraw/zinc/06/58/17/1035065817.db2.gz QJIGARPCWGXFBK-KRWDZBQOSA-N 1 2 397.441 3.974 20 30 GHEDLO COc1ccnc(NCc2c[nH+]cn2Cc2ccccc2Br)c1C#N ZINC001161519663 1035247995 /nfs/dbraw/zinc/24/79/95/1035247995.db2.gz JGJAUFMAWVYVOF-UHFFFAOYSA-N 1 2 398.264 3.581 20 30 GHEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC001248463791 1035890340 /nfs/dbraw/zinc/89/03/40/1035890340.db2.gz ZELVLINVIBUKSS-OYRHEFFESA-N 1 2 376.504 3.981 20 30 GHEDLO CCCCCCCCNC(=S)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001247146877 1037945723 /nfs/dbraw/zinc/94/57/23/1037945723.db2.gz OLEKJJIRXKBELF-LJQANCHMSA-N 1 2 392.613 3.977 20 30 GHEDLO CCCCCCCCNC(=S)NCc1ccccc1C[NH+]1CCOCC1 ZINC001247166985 1037960508 /nfs/dbraw/zinc/96/05/08/1037960508.db2.gz TUYJELIIRZCJKN-UHFFFAOYSA-N 1 2 377.598 3.843 20 30 GHEDLO N#Cc1cc(Br)ccc1-c1noc([C@H]([NH3+])COCc2ccccc2)n1 ZINC001247657911 1038297688 /nfs/dbraw/zinc/29/76/88/1038297688.db2.gz NGQRHMJDKRHJCR-MRXNPFEDSA-N 1 2 399.248 3.587 20 30 GHEDLO CC(C)(C)OC(=O)NC[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cc(C#N)ccc1O ZINC001232681548 1038478239 /nfs/dbraw/zinc/47/82/39/1038478239.db2.gz QGQVGPQUGBABBS-FQEVSTJZSA-N 1 2 393.487 3.715 20 30 GHEDLO CC(C)(C)OC(=O)NC[C@@H]1Cc2ccccc2C[N@H+]1Cc1cc(C#N)ccc1O ZINC001232681548 1038478244 /nfs/dbraw/zinc/47/82/44/1038478244.db2.gz QGQVGPQUGBABBS-FQEVSTJZSA-N 1 2 393.487 3.715 20 30 GHEDLO C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(F)c(F)c1Br)CC2 ZINC001277750104 1038778972 /nfs/dbraw/zinc/77/89/72/1038778972.db2.gz HBTVEFPAHLOXDV-ZDUSSCGKSA-N 1 2 399.279 3.632 20 30 GHEDLO C=CCC[C@H](O)C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1F ZINC001252599909 1039043059 /nfs/dbraw/zinc/04/30/59/1039043059.db2.gz NYGCJYLXGXCHBN-QFBILLFUSA-N 1 2 378.488 3.747 20 30 GHEDLO C=CCC[C@H](O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1F ZINC001252599909 1039043074 /nfs/dbraw/zinc/04/30/74/1039043074.db2.gz NYGCJYLXGXCHBN-QFBILLFUSA-N 1 2 378.488 3.747 20 30 GHEDLO C=CCCCCCC[C@H](O)C[N@H+]1CCO[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC001253235855 1039489733 /nfs/dbraw/zinc/48/97/33/1039489733.db2.gz OXRMUWRRRBFPEM-SLFFLAALSA-N 1 2 396.572 3.584 20 30 GHEDLO C=CCCCCCC[C@H](O)C[N@@H+]1CCO[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC001253235855 1039489738 /nfs/dbraw/zinc/48/97/38/1039489738.db2.gz OXRMUWRRRBFPEM-SLFFLAALSA-N 1 2 396.572 3.584 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC001233744790 1039585056 /nfs/dbraw/zinc/58/50/56/1039585056.db2.gz DVABMIWXOYEUCU-CQSZACIVSA-N 1 2 392.337 3.534 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC001233744790 1039585072 /nfs/dbraw/zinc/58/50/72/1039585072.db2.gz DVABMIWXOYEUCU-CQSZACIVSA-N 1 2 392.337 3.534 20 30 GHEDLO CC1=CC(=O)C[C@@H](c2ccc(OC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)cc2)O1 ZINC001234161382 1039900530 /nfs/dbraw/zinc/90/05/30/1039900530.db2.gz XKAUQQOERYAWNU-ZEQRLZLVSA-N 1 2 393.483 3.901 20 30 GHEDLO CC1=CC(=O)C[C@@H](c2ccc(OC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)cc2)O1 ZINC001234161382 1039900532 /nfs/dbraw/zinc/90/05/32/1039900532.db2.gz XKAUQQOERYAWNU-ZEQRLZLVSA-N 1 2 393.483 3.901 20 30 GHEDLO C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(F)c(F)c(Br)c1)CC2 ZINC001277861609 1040091621 /nfs/dbraw/zinc/09/16/21/1040091621.db2.gz HVKKCRITUUICTP-CYBMUJFWSA-N 1 2 399.279 3.632 20 30 GHEDLO C=CCc1ccc(OCC(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)c(OC)c1 ZINC001462455708 1070264437 /nfs/dbraw/zinc/26/44/37/1070264437.db2.gz FHPXMAFWOJPDNH-HXUWFJFHSA-N 1 2 391.471 3.557 20 30 GHEDLO N#Cc1cc(F)c(C[N@@H+]2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)c(F)c1 ZINC001235654279 1041097678 /nfs/dbraw/zinc/09/76/78/1041097678.db2.gz NYAYMQSBLCAPHZ-IFMALSPDSA-N 1 2 399.441 3.682 20 30 GHEDLO N#Cc1cc(F)c(C[N@H+]2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)c(F)c1 ZINC001235654279 1041097699 /nfs/dbraw/zinc/09/76/99/1041097699.db2.gz NYAYMQSBLCAPHZ-IFMALSPDSA-N 1 2 399.441 3.682 20 30 GHEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1[C@H](C)CSc1ccc(F)cc1 ZINC001255743828 1041263618 /nfs/dbraw/zinc/26/36/18/1041263618.db2.gz WNFPBNXDAPFVLX-BEFAXECRSA-N 1 2 390.528 3.720 20 30 GHEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1[C@H](C)CSc1ccc(F)cc1 ZINC001255743828 1041263627 /nfs/dbraw/zinc/26/36/27/1041263627.db2.gz WNFPBNXDAPFVLX-BEFAXECRSA-N 1 2 390.528 3.720 20 30 GHEDLO Cn1cc(C[NH+]2CC3(C2)CCCN3C(=O)OC(C)(C)C)c2cc(C#N)ccc21 ZINC001237464261 1042218651 /nfs/dbraw/zinc/21/86/51/1042218651.db2.gz BNOAWGOUPJBITJ-UHFFFAOYSA-N 1 2 380.492 3.635 20 30 GHEDLO CCOC(=O)c1cc2c(s1)CC[N@H+](Cc1cn(C)c3ccc(C#N)cc13)C2 ZINC001237469811 1042222170 /nfs/dbraw/zinc/22/21/70/1042222170.db2.gz BYQWLMSWVVYZAF-UHFFFAOYSA-N 1 2 379.485 3.846 20 30 GHEDLO CCOC(=O)c1cc2c(s1)CC[N@@H+](Cc1cn(C)c3ccc(C#N)cc13)C2 ZINC001237469811 1042222176 /nfs/dbraw/zinc/22/21/76/1042222176.db2.gz BYQWLMSWVVYZAF-UHFFFAOYSA-N 1 2 379.485 3.846 20 30 GHEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Br)cc(OCC)c2)C1 ZINC001238255713 1042533864 /nfs/dbraw/zinc/53/38/64/1042533864.db2.gz XILJVIJGIQUPHS-INIZCTEOSA-N 1 2 397.313 3.724 20 30 GHEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cc(Br)cc(OCC)c2)C1 ZINC001238255713 1042533866 /nfs/dbraw/zinc/53/38/66/1042533866.db2.gz XILJVIJGIQUPHS-INIZCTEOSA-N 1 2 397.313 3.724 20 30 GHEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cccnc2OCc2ccccc2)C1 ZINC001238781799 1042725580 /nfs/dbraw/zinc/72/55/80/1042725580.db2.gz OCODJNIVKWOZMF-FQEVSTJZSA-N 1 2 381.476 3.537 20 30 GHEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cccnc2OCc2ccccc2)C1 ZINC001238781799 1042725586 /nfs/dbraw/zinc/72/55/86/1042725586.db2.gz OCODJNIVKWOZMF-FQEVSTJZSA-N 1 2 381.476 3.537 20 30 GHEDLO O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@@H]1CC[NH2+]CC1(F)F ZINC001239225915 1042789869 /nfs/dbraw/zinc/78/98/69/1042789869.db2.gz PTHLGVJSXRLOFN-SNVBAGLBSA-N 1 2 391.262 3.843 20 30 GHEDLO N#Cc1ccc(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)c(F)c1 ZINC001292921636 1043947541 /nfs/dbraw/zinc/94/75/41/1043947541.db2.gz NZVDDCPMPCYKMB-UHFFFAOYSA-N 1 2 377.423 3.812 20 30 GHEDLO CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC001298231901 1045742508 /nfs/dbraw/zinc/74/25/08/1045742508.db2.gz MEMUTXKSQHSDFM-WMZOPIPTSA-N 1 2 392.544 3.568 20 30 GHEDLO Cc1ccc([C@H]2C[C@H](C)N(c3nnc(C4CC[NH+](CCC#N)CC4)n3C)C2)cc1 ZINC001262873427 1046393827 /nfs/dbraw/zinc/39/38/27/1046393827.db2.gz HSJGRIPVZHJGKP-RXVVDRJESA-N 1 2 392.551 3.599 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[C@H](COCc2ccccc2)C1 ZINC001263301369 1046699475 /nfs/dbraw/zinc/69/94/75/1046699475.db2.gz OATTWKMTCDAHEJ-SFTDATJTSA-N 1 2 395.551 3.664 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[C@H](COCc2ccccc2)C1 ZINC001263301369 1046699481 /nfs/dbraw/zinc/69/94/81/1046699481.db2.gz OATTWKMTCDAHEJ-SFTDATJTSA-N 1 2 395.551 3.664 20 30 GHEDLO C=C(C)Cn1c([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCC2(CCCC2)C1 ZINC001263343128 1046726607 /nfs/dbraw/zinc/72/66/07/1046726607.db2.gz OPPSPVGBIPARHB-RTBURBONSA-N 1 2 385.556 3.551 20 30 GHEDLO C=C(C)Cn1c([C@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCC2(CCCC2)C1 ZINC001263343128 1046726621 /nfs/dbraw/zinc/72/66/21/1046726621.db2.gz OPPSPVGBIPARHB-RTBURBONSA-N 1 2 385.556 3.551 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C)Sc2ccccc2)CC1 ZINC001286470135 1048335425 /nfs/dbraw/zinc/33/54/25/1048335425.db2.gz TYAAAOLLAVNUHV-GOSISDBHSA-N 1 2 397.592 3.512 20 30 GHEDLO Cc1cn2c([nH+]1)[C@@H](Cn1c(N3CCC[C@](C)(C#N)C3)nnc1C(C)(C)C)CCC2 ZINC001290296190 1049793766 /nfs/dbraw/zinc/79/37/66/1049793766.db2.gz QQJBIDGXGIZBRG-VGOFRKELSA-N 1 2 395.555 3.788 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCC3(c4ccccc4)CC3)CC2)cc1 ZINC001313310560 1053014918 /nfs/dbraw/zinc/01/49/18/1053014918.db2.gz VTANRFJUCTYMQQ-UHFFFAOYSA-N 1 2 388.515 3.507 20 30 GHEDLO C=CCn1cnn(C[N@H+](CCCOc2ccccc2)C2CCOCC2)c1=S ZINC001342657414 1053285796 /nfs/dbraw/zinc/28/57/96/1053285796.db2.gz NZKYCELZUZZQDM-UHFFFAOYSA-N 1 2 388.537 3.508 20 30 GHEDLO C=CCn1cnn(C[N@@H+](CCCOc2ccccc2)C2CCOCC2)c1=S ZINC001342657414 1053285804 /nfs/dbraw/zinc/28/58/04/1053285804.db2.gz NZKYCELZUZZQDM-UHFFFAOYSA-N 1 2 388.537 3.508 20 30 GHEDLO C=C(C)Cn1c(N2CCC(Nc3cccc[nH+]3)CC2)nnc1C(C#N)(CC)CC ZINC001343534827 1053850310 /nfs/dbraw/zinc/85/03/10/1053850310.db2.gz OMCCSIPWIPUOPP-UHFFFAOYSA-N 1 2 393.539 3.911 20 30 GHEDLO CC(C)Cn1c([C@@H]2C[C@H]2C#N)nnc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC001343559277 1053879932 /nfs/dbraw/zinc/87/99/32/1053879932.db2.gz SBECLDKWOJOLIR-ZWKOTPCHSA-N 1 2 398.942 3.537 20 30 GHEDLO C[N@@H+]1CCCC[C@@H]1c1nnc(N(CCC#N)CC2CC2)n1Cc1ccccc1 ZINC001343722535 1053986345 /nfs/dbraw/zinc/98/63/45/1053986345.db2.gz SGRBTFGVKRSNJP-HXUWFJFHSA-N 1 2 378.524 3.613 20 30 GHEDLO C[N@H+]1CCCC[C@@H]1c1nnc(N(CCC#N)CC2CC2)n1Cc1ccccc1 ZINC001343722535 1053986351 /nfs/dbraw/zinc/98/63/51/1053986351.db2.gz SGRBTFGVKRSNJP-HXUWFJFHSA-N 1 2 378.524 3.613 20 30 GHEDLO C=C(C)Cn1c([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCCC2(CC2)CC1 ZINC001343947570 1054136071 /nfs/dbraw/zinc/13/60/71/1054136071.db2.gz PSAWGVGZKOCUAW-RTBURBONSA-N 1 2 385.556 3.551 20 30 GHEDLO C=C(C)Cn1c([C@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCCC2(CC2)CC1 ZINC001343947570 1054136078 /nfs/dbraw/zinc/13/60/78/1054136078.db2.gz PSAWGVGZKOCUAW-RTBURBONSA-N 1 2 385.556 3.551 20 30 GHEDLO CN(Cc1cc(C#N)cs1)c1nnc([C@@H]2CCC[N@@H+]2C)n1Cc1ccccc1 ZINC001344068816 1054224679 /nfs/dbraw/zinc/22/46/79/1054224679.db2.gz OFJHVBHVWMOLSQ-IBGZPJMESA-N 1 2 392.532 3.663 20 30 GHEDLO CN(Cc1cc(C#N)cs1)c1nnc([C@@H]2CCC[N@H+]2C)n1Cc1ccccc1 ZINC001344068816 1054224689 /nfs/dbraw/zinc/22/46/89/1054224689.db2.gz OFJHVBHVWMOLSQ-IBGZPJMESA-N 1 2 392.532 3.663 20 30 GHEDLO CCOCCCn1c([C@@H]2CCC[N@@H+]2C)nnc1N(C)[C@@H](C)c1cccc(C#N)c1 ZINC001344455358 1054483302 /nfs/dbraw/zinc/48/33/02/1054483302.db2.gz IRIDHWUXCQDREN-PXNSSMCTSA-N 1 2 396.539 3.540 20 30 GHEDLO CCOCCCn1c([C@@H]2CCC[N@H+]2C)nnc1N(C)[C@@H](C)c1cccc(C#N)c1 ZINC001344455358 1054483321 /nfs/dbraw/zinc/48/33/21/1054483321.db2.gz IRIDHWUXCQDREN-PXNSSMCTSA-N 1 2 396.539 3.540 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)Cc2cc3ccccc3[nH]2)cc1 ZINC001319010090 1054989336 /nfs/dbraw/zinc/98/93/36/1054989336.db2.gz VUWYWBQQUDJIJI-UHFFFAOYSA-N 1 2 390.487 3.945 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2cc3ccccc3[nH]2)cc1 ZINC001319010090 1054989337 /nfs/dbraw/zinc/98/93/37/1054989337.db2.gz VUWYWBQQUDJIJI-UHFFFAOYSA-N 1 2 390.487 3.945 20 30 GHEDLO CC(C)C[C@H](c1nnc(N(C)[C@H]2CCC[C@@H]2C#N)n1CC1CC1)n1cc[nH+]c1 ZINC001345699437 1055210795 /nfs/dbraw/zinc/21/07/95/1055210795.db2.gz LWVCXZJQUIHZAQ-CEXWTWQISA-N 1 2 381.528 3.649 20 30 GHEDLO C=CCO[C@H]1CC[N@@H+](CC(=O)N(CC(F)(F)F)c2ccc(Cl)cc2)C1 ZINC001320155918 1055679241 /nfs/dbraw/zinc/67/92/41/1055679241.db2.gz FVMPPLDXJVZDJO-HNNXBMFYSA-N 1 2 376.806 3.512 20 30 GHEDLO C=CCO[C@H]1CC[N@H+](CC(=O)N(CC(F)(F)F)c2ccc(Cl)cc2)C1 ZINC001320155918 1055679247 /nfs/dbraw/zinc/67/92/47/1055679247.db2.gz FVMPPLDXJVZDJO-HNNXBMFYSA-N 1 2 376.806 3.512 20 30 GHEDLO CC(C)[C@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(CC#N)cc3)c2C1 ZINC001321162724 1056129157 /nfs/dbraw/zinc/12/91/57/1056129157.db2.gz LWVPAFOAVMQZEA-INIZCTEOSA-N 1 2 383.517 3.914 20 30 GHEDLO CC(C)[C@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(CC#N)cc3)c2C1 ZINC001321162724 1056129170 /nfs/dbraw/zinc/12/91/70/1056129170.db2.gz LWVPAFOAVMQZEA-INIZCTEOSA-N 1 2 383.517 3.914 20 30 GHEDLO C#CCN(CC)c1nnc(CC(C)C)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001300628795 1056719305 /nfs/dbraw/zinc/71/93/05/1056719305.db2.gz ARIHNLDUBGXXAC-UHFFFAOYSA-N 1 2 394.567 3.760 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2CCSc2ccc(C)cc2)CC1 ZINC001300683803 1056864171 /nfs/dbraw/zinc/86/41/71/1056864171.db2.gz TUUZCFGZLLUJOT-LJQANCHMSA-N 1 2 397.592 3.648 20 30 GHEDLO CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@H]1CCCC1=NNCCCn1cc[nH+]c1 ZINC000848416789 1057074745 /nfs/dbraw/zinc/07/47/45/1057074745.db2.gz YKKNPJQKIRUUSO-MJGOQNOKSA-N 1 2 389.544 3.809 20 30 GHEDLO C[C@@H](c1ccccc1)[C@H]1CCCN1c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001355479264 1057177556 /nfs/dbraw/zinc/17/75/56/1057177556.db2.gz CHRTWSOJUCBCIV-GHTZIAJQSA-N 1 2 392.551 3.681 20 30 GHEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC(c2ccco2)CC1 ZINC001357151998 1057617828 /nfs/dbraw/zinc/61/78/28/1057617828.db2.gz GBEQKFNVLWMERM-FQEVSTJZSA-N 1 2 399.539 3.613 20 30 GHEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC(c2ccco2)CC1 ZINC001357151998 1057617831 /nfs/dbraw/zinc/61/78/31/1057617831.db2.gz GBEQKFNVLWMERM-FQEVSTJZSA-N 1 2 399.539 3.613 20 30 GHEDLO CC(C)C[C@H](c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C)n1cc[nH+]c1 ZINC001338102498 1058404511 /nfs/dbraw/zinc/40/45/11/1058404511.db2.gz BSPOBERFTLFDJH-HXUWFJFHSA-N 1 2 389.507 3.688 20 30 GHEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC001339567757 1059307994 /nfs/dbraw/zinc/30/79/94/1059307994.db2.gz PNFODOKBTWXTHX-YJBOKZPZSA-N 1 2 383.462 3.619 20 30 GHEDLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)C#Cc1cccs1 ZINC001446515862 1059787249 /nfs/dbraw/zinc/78/72/49/1059787249.db2.gz NVKUOGCZNWYJBR-DYESRHJHSA-N 1 2 381.545 3.562 20 30 GHEDLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C#Cc1cccs1 ZINC001446515862 1059787278 /nfs/dbraw/zinc/78/72/78/1059787278.db2.gz NVKUOGCZNWYJBR-DYESRHJHSA-N 1 2 381.545 3.562 20 30 GHEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CC[C@@H](c2ccccc2)[C@H]1C ZINC001341756304 1060865640 /nfs/dbraw/zinc/86/56/40/1060865640.db2.gz RORIGOLDGRHQNC-IEBWSBKVSA-N 1 2 376.508 3.561 20 30 GHEDLO CN(Cc1cc(C#N)cs1)c1nnc(C[NH+]2CCCC2)n1Cc1cccs1 ZINC001345948048 1061233018 /nfs/dbraw/zinc/23/30/18/1061233018.db2.gz IEJDFMQGZDBVRE-UHFFFAOYSA-N 1 2 398.561 3.553 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCn2cccc2C1 ZINC001346221480 1061460469 /nfs/dbraw/zinc/46/04/69/1061460469.db2.gz RRCJWTVLTDCTDE-LJQANCHMSA-N 1 2 379.512 3.508 20 30 GHEDLO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCn1c[nH+]cc1-c1ccccc1 ZINC001454320885 1061719008 /nfs/dbraw/zinc/71/90/08/1061719008.db2.gz KOQBEDXDRPNWSK-UHFFFAOYSA-N 1 2 385.427 3.544 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@H](C2CCOCC2)C1 ZINC001346627348 1061744255 /nfs/dbraw/zinc/74/42/55/1061744255.db2.gz LSEPEXSTTSXSID-PMACEKPBSA-N 1 2 387.572 3.654 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@H](C2CCOCC2)C1 ZINC001346627348 1061744269 /nfs/dbraw/zinc/74/42/69/1061744269.db2.gz LSEPEXSTTSXSID-PMACEKPBSA-N 1 2 387.572 3.654 20 30 GHEDLO Cc1nnc(N(CCC#N)CCC(C)C)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001492790266 1061927980 /nfs/dbraw/zinc/92/79/80/1061927980.db2.gz ZSCJZHWTXBCYKK-UHFFFAOYSA-N 1 2 395.555 3.786 20 30 GHEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001348644649 1063259143 /nfs/dbraw/zinc/25/91/43/1063259143.db2.gz PAOVPHGAZSIPAD-WMZOPIPTSA-N 1 2 380.492 3.683 20 30 GHEDLO C=C[C@@H](CC)CC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC001459043632 1063988089 /nfs/dbraw/zinc/98/80/89/1063988089.db2.gz METXEIHYBVDEAQ-AWEZNQCLSA-N 1 2 380.330 3.742 20 30 GHEDLO C=CCn1c([C@@H](C)CCC#N)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001351563342 1064515436 /nfs/dbraw/zinc/51/54/36/1064515436.db2.gz WTBVDEZVMZDAHJ-KRWDZBQOSA-N 1 2 398.942 3.847 20 30 GHEDLO C=CCn1c([C@H]2CCC[N@@H+]2Cc2ccccc2)nnc1N1CCC[C@@H](C#N)C1 ZINC001351828394 1064630061 /nfs/dbraw/zinc/63/00/61/1064630061.db2.gz BDYSLDRJFAIMJT-VQTJNVASSA-N 1 2 376.508 3.541 20 30 GHEDLO C=CCn1c([C@H]2CCC[N@H+]2Cc2ccccc2)nnc1N1CCC[C@@H](C#N)C1 ZINC001351828394 1064630069 /nfs/dbraw/zinc/63/00/69/1064630069.db2.gz BDYSLDRJFAIMJT-VQTJNVASSA-N 1 2 376.508 3.541 20 30 GHEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC(CCOC)CC1 ZINC001351947920 1064724871 /nfs/dbraw/zinc/72/48/71/1064724871.db2.gz BNEHLJJYOMTAOF-LJQANCHMSA-N 1 2 397.567 3.910 20 30 GHEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC(CCOC)CC1 ZINC001351947920 1064724881 /nfs/dbraw/zinc/72/48/81/1064724881.db2.gz BNEHLJJYOMTAOF-LJQANCHMSA-N 1 2 397.567 3.910 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCc2ccccc2[C@@H](C)C1 ZINC001352494553 1065080380 /nfs/dbraw/zinc/08/03/80/1065080380.db2.gz IWNAZWGUSHPMCI-SFHVURJKSA-N 1 2 392.551 3.557 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3)n2CC2(CC)CCCC2)CC1 ZINC001359032879 1067659648 /nfs/dbraw/zinc/65/96/48/1067659648.db2.gz HLQRYWOYWFVDNU-UHFFFAOYSA-N 1 2 377.536 3.671 20 30 GHEDLO C[C@]12CC[N@H+](Cc3csc(C#N)c3)C[C@H]1C2(Br)Br ZINC001474625403 1067766823 /nfs/dbraw/zinc/76/68/23/1067766823.db2.gz OFDUNHJKDGMEBU-NEPJUHHUSA-N 1 2 390.144 3.948 20 30 GHEDLO C[C@]12CC[N@@H+](Cc3csc(C#N)c3)C[C@H]1C2(Br)Br ZINC001474625403 1067766825 /nfs/dbraw/zinc/76/68/25/1067766825.db2.gz OFDUNHJKDGMEBU-NEPJUHHUSA-N 1 2 390.144 3.948 20 30 GHEDLO C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1CCc1cn2ccccc2[nH+]1 ZINC001359270945 1067937940 /nfs/dbraw/zinc/93/79/40/1067937940.db2.gz GTXKHPTZTMHAMD-IBGZPJMESA-N 1 2 392.507 3.589 20 30 GHEDLO N#Cc1ccc(C2CC[NH+](Cc3ccc(Br)cc3C#N)CC2)nc1 ZINC001460505435 1068981628 /nfs/dbraw/zinc/98/16/28/1068981628.db2.gz RIFLOSWCVTZHIS-UHFFFAOYSA-N 1 2 381.277 3.967 20 30 GHEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]1c1ccc(Br)cc1C ZINC001460613425 1069030148 /nfs/dbraw/zinc/03/01/48/1069030148.db2.gz XOCDDZBEDNERKE-KSSFIOAISA-N 1 2 392.341 3.903 20 30 GHEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]1c1ccc(Br)cc1C ZINC001460613425 1069030163 /nfs/dbraw/zinc/03/01/63/1069030163.db2.gz XOCDDZBEDNERKE-KSSFIOAISA-N 1 2 392.341 3.903 20 30 GHEDLO CC[C@H](c1ccc(F)cc1F)N1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC001473164913 1073824204 /nfs/dbraw/zinc/82/42/04/1073824204.db2.gz ZUAYPSHCHXTWPM-OAQYLSRUSA-N 1 2 385.458 3.984 20 30 GHEDLO COC(=O)[C@H](c1cccc(C#N)c1)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC001473188879 1073842952 /nfs/dbraw/zinc/84/29/52/1073842952.db2.gz KODIDQBNGWXYPP-KKSFZXQISA-N 1 2 397.906 3.805 20 30 GHEDLO CC[C@H](C(=O)Nc1ccc(C)cc1)[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC001473725185 1074109735 /nfs/dbraw/zinc/10/97/35/1074109735.db2.gz AVRBWJLKCYCYNJ-HXUWFJFHSA-N 1 2 380.467 3.545 20 30 GHEDLO N#Cc1ccc(C[N@H+]2Cc3cccnc3N3CCC[C@@H]3C2)c(Br)c1 ZINC001473731307 1074113383 /nfs/dbraw/zinc/11/33/83/1074113383.db2.gz RNVSYPRNAUVQSA-QGZVFWFLSA-N 1 2 383.293 3.700 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2Cc3cccnc3N3CCC[C@@H]3C2)c(Br)c1 ZINC001473731307 1074113390 /nfs/dbraw/zinc/11/33/90/1074113390.db2.gz RNVSYPRNAUVQSA-QGZVFWFLSA-N 1 2 383.293 3.700 20 30 GHEDLO CC(=[NH+]Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)c1ccc(N(C)C)cc1 ZINC000735451439 598313662 /nfs/dbraw/zinc/31/36/62/598313662.db2.gz ZZBPMXFEWRZALE-UHFFFAOYSA-N 1 2 389.385 3.788 20 30 GHEDLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)Nc2ccc(CC#N)cc2)c2ccc(Cl)cc2)C1 ZINC000156571437 834452458 /nfs/dbraw/zinc/45/24/58/834452458.db2.gz SMMNMYIRDJMPMR-VQTJNVASSA-N 1 2 398.894 3.599 20 30 GHEDLO C[N@H+]1CCO[C@H]([C@H](NC(=O)Nc2ccc(CC#N)cc2)c2ccc(Cl)cc2)C1 ZINC000156571437 834452464 /nfs/dbraw/zinc/45/24/64/834452464.db2.gz SMMNMYIRDJMPMR-VQTJNVASSA-N 1 2 398.894 3.599 20 30 GHEDLO C#CCOc1ccccc1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278768516 834574396 /nfs/dbraw/zinc/57/43/96/834574396.db2.gz LAWAXMBIURTYIQ-UHFFFAOYSA-N 1 2 378.476 3.643 20 30 GHEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3c(F)cccc3OC(F)(F)F)C2)nc1 ZINC000430189666 834900470 /nfs/dbraw/zinc/90/04/70/834900470.db2.gz YGCSQJMKUWXODS-ZDUSSCGKSA-N 1 2 381.329 3.644 20 30 GHEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3c(F)cccc3OC(F)(F)F)C2)nc1 ZINC000430189666 834900476 /nfs/dbraw/zinc/90/04/76/834900476.db2.gz YGCSQJMKUWXODS-ZDUSSCGKSA-N 1 2 381.329 3.644 20 30 GHEDLO CCOc1c(Br)cc(CNc2cc(CC#N)cc[nH+]2)cc1OC ZINC000545219797 835065323 /nfs/dbraw/zinc/06/53/23/835065323.db2.gz RLNVFMQDCNQVRV-UHFFFAOYSA-N 1 2 376.254 3.930 20 30 GHEDLO COC(=O)c1c(NC(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)sc2c1CCC2 ZINC000579825633 835223112 /nfs/dbraw/zinc/22/31/12/835223112.db2.gz KUBQERDTOGVMEL-ZDUSSCGKSA-N 1 2 397.500 3.527 20 30 GHEDLO COC(=O)c1c(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)sc2c1CCC2 ZINC000579825633 835223125 /nfs/dbraw/zinc/22/31/25/835223125.db2.gz KUBQERDTOGVMEL-ZDUSSCGKSA-N 1 2 397.500 3.527 20 30 GHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000512516332 844043804 /nfs/dbraw/zinc/04/38/04/844043804.db2.gz DYACAZIWADCCOM-KRWDZBQOSA-N 1 2 398.507 3.641 20 30 GHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000512516332 844043811 /nfs/dbraw/zinc/04/38/11/844043811.db2.gz DYACAZIWADCCOM-KRWDZBQOSA-N 1 2 398.507 3.641 20 30 GHEDLO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000329612958 835384177 /nfs/dbraw/zinc/38/41/77/835384177.db2.gz COIBLNUEWJVKRO-VIFPVBQESA-N 1 2 384.267 3.673 20 30 GHEDLO C=CC[C@H]1CCCN(C(=O)C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000658434211 835676672 /nfs/dbraw/zinc/67/66/72/835676672.db2.gz KQJHTECWZNVBBB-KRWDZBQOSA-N 1 2 392.503 3.640 20 30 GHEDLO CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(C#N)c(Cl)c1 ZINC000179525962 835862777 /nfs/dbraw/zinc/86/27/77/835862777.db2.gz YIJYSPVCCYPZCD-UHFFFAOYSA-N 1 2 395.806 3.972 20 30 GHEDLO N#Cc1ccccc1-c1ccc(CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000179743867 835964298 /nfs/dbraw/zinc/96/42/98/835964298.db2.gz ICSPGSXZUBTPOI-NRFANRHFSA-N 1 2 397.482 3.698 20 30 GHEDLO COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000364424381 836003198 /nfs/dbraw/zinc/00/31/98/836003198.db2.gz ZTSDHICNIHHSCS-INIZCTEOSA-N 1 2 388.427 3.757 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000547770016 836328833 /nfs/dbraw/zinc/32/88/33/836328833.db2.gz SJQOGXGXTFAOLW-APWZRJJASA-N 1 2 381.451 3.706 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000547770016 836328848 /nfs/dbraw/zinc/32/88/48/836328848.db2.gz SJQOGXGXTFAOLW-APWZRJJASA-N 1 2 381.451 3.706 20 30 GHEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000066177528 836923543 /nfs/dbraw/zinc/92/35/43/836923543.db2.gz GLPIYBKSHYOWNU-UHFFFAOYSA-N 1 2 387.487 3.923 20 30 GHEDLO CC(C)Sc1cccc(Cl)c1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000472578153 836986572 /nfs/dbraw/zinc/98/65/72/836986572.db2.gz DDEPRVPFLQWPMZ-UHFFFAOYSA-N 1 2 381.973 3.888 20 30 GHEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3cccc(SCC#N)c3)CC2)c1 ZINC000176043909 837131190 /nfs/dbraw/zinc/13/11/90/837131190.db2.gz FBGNCNHJBXQQGX-KRWDZBQOSA-N 1 2 395.528 3.830 20 30 GHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000177035354 837849553 /nfs/dbraw/zinc/84/95/53/837849553.db2.gz IFRZYPBAUAJVIT-QFIPXVFZSA-N 1 2 388.471 3.727 20 30 GHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000177035354 837849560 /nfs/dbraw/zinc/84/95/60/837849560.db2.gz IFRZYPBAUAJVIT-QFIPXVFZSA-N 1 2 388.471 3.727 20 30 GHEDLO C[C@]([NH2+]CC#Cc1ccc(Cl)cc1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000177386999 837933539 /nfs/dbraw/zinc/93/35/39/837933539.db2.gz LBKHJOFYJHWLGS-GOSISDBHSA-N 1 2 380.797 3.701 20 30 GHEDLO N#CCc1ccc(OCc2ccccc2NC(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000377767817 837934515 /nfs/dbraw/zinc/93/45/15/837934515.db2.gz OODLSTBNTGXNHI-UHFFFAOYSA-N 1 2 387.443 3.576 20 30 GHEDLO O=C(Nc1ccccc1C#Cc1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000472861495 837957691 /nfs/dbraw/zinc/95/76/91/837957691.db2.gz VWNYTPQIBDHIIB-UHFFFAOYSA-N 1 2 382.467 3.836 20 30 GHEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)c1cc2ccccc2n1CC#N)c1ccccc1 ZINC000610304070 838268450 /nfs/dbraw/zinc/26/84/50/838268450.db2.gz IKFSJYOMIGEUPK-LJQANCHMSA-N 1 2 383.455 3.612 20 30 GHEDLO C[C@@H]1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000122793809 838375280 /nfs/dbraw/zinc/37/52/80/838375280.db2.gz JNNVGMREMSVZTP-UZLBHIALSA-N 1 2 390.443 3.650 20 30 GHEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000118988639 839262669 /nfs/dbraw/zinc/26/26/69/839262669.db2.gz QKBMEWGVLFWIGU-UHFFFAOYSA-N 1 2 392.503 3.807 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)Nc2cccc(C#N)c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543865567 839500290 /nfs/dbraw/zinc/50/02/90/839500290.db2.gz YSBFWLPMZIDIOV-HKUYNNGSSA-N 1 2 388.393 3.933 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)Nc2cccc(C#N)c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543865567 839500298 /nfs/dbraw/zinc/50/02/98/839500298.db2.gz YSBFWLPMZIDIOV-HKUYNNGSSA-N 1 2 388.393 3.933 20 30 GHEDLO N#CCn1c(=O)c2ccccc2nc1C[NH+]1CCC(CCc2ccccc2)CC1 ZINC000014318258 839511280 /nfs/dbraw/zinc/51/12/80/839511280.db2.gz YVKVKBOAXXCKMF-UHFFFAOYSA-N 1 2 386.499 3.765 20 30 GHEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCN(Cc2ccccc2)CC[C@H]1C ZINC000610451554 839966759 /nfs/dbraw/zinc/96/67/59/839966759.db2.gz BTJAMZVAZPOCFM-LJQANCHMSA-N 1 2 379.504 3.542 20 30 GHEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCN(Cc2ccccc2)CC[C@H]1C ZINC000610451554 839966763 /nfs/dbraw/zinc/96/67/63/839966763.db2.gz BTJAMZVAZPOCFM-LJQANCHMSA-N 1 2 379.504 3.542 20 30 GHEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)Cc2c(F)cccc2C#N)c(C)c1 ZINC000580789326 840188524 /nfs/dbraw/zinc/18/85/24/840188524.db2.gz MKHCIAZINAMVQY-OAQYLSRUSA-N 1 2 376.435 3.611 20 30 GHEDLO N#CC1(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)CCCCC1 ZINC000604394816 842003118 /nfs/dbraw/zinc/00/31/18/842003118.db2.gz QTPRWDHQYJRKBH-UHFFFAOYSA-N 1 2 379.426 3.824 20 30 GHEDLO C[C@@H](C(=O)NCc1ccccc1F)[N@@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000329310349 861273772 /nfs/dbraw/zinc/27/37/72/861273772.db2.gz PMIVTXJHRJUCTI-KRWDZBQOSA-N 1 2 389.515 3.785 20 30 GHEDLO C[C@@H](C(=O)NCc1ccccc1F)[N@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000329310349 861273774 /nfs/dbraw/zinc/27/37/74/861273774.db2.gz PMIVTXJHRJUCTI-KRWDZBQOSA-N 1 2 389.515 3.785 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH+]2CCC3(CCCC3=O)CC2)c1C#N ZINC000661956878 842397468 /nfs/dbraw/zinc/39/74/68/842397468.db2.gz ODPHSEIWZURHLT-UHFFFAOYSA-N 1 2 396.535 3.865 20 30 GHEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(OC3CCCCC3)CC2)cc1Cl ZINC000125622216 842430035 /nfs/dbraw/zinc/43/00/35/842430035.db2.gz PZDAAWNISPYZDP-UHFFFAOYSA-N 1 2 375.900 3.964 20 30 GHEDLO O=C(Nc1cccc(C#Cc2ccccn2)c1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000111770939 842551014 /nfs/dbraw/zinc/55/10/14/842551014.db2.gz SFDKXEIGRUYJSZ-UHFFFAOYSA-N 1 2 397.482 3.667 20 30 GHEDLO CSc1ccccc1NC(=O)[C@@H](C)O[NH+]=C(N)Cc1ccccc1Cl ZINC000097571170 842573977 /nfs/dbraw/zinc/57/39/77/842573977.db2.gz NBNSXADUCJXNQW-GFCCVEGCSA-N 1 2 377.897 3.920 20 30 GHEDLO C[C@H](O[NH+]=C(N)Cc1ccccc1Cl)C(=O)NCc1ccccc1Cl ZINC000097571165 842574145 /nfs/dbraw/zinc/57/41/45/842574145.db2.gz BRRCSAGJIXYVGW-LBPRGKRZSA-N 1 2 380.275 3.530 20 30 GHEDLO Cc1cc(NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)cnc1N1CCCC[C@H]1C ZINC000329364652 861329894 /nfs/dbraw/zinc/32/98/94/861329894.db2.gz GBXJBNWZVQSSME-MJGOQNOKSA-N 1 2 382.512 3.675 20 30 GHEDLO C#Cc1ccc(C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)nc1 ZINC000728842660 842827228 /nfs/dbraw/zinc/82/72/28/842827228.db2.gz UIJVORPPYYNVRV-UHFFFAOYSA-N 1 2 392.462 3.905 20 30 GHEDLO Cn1nc(C(F)(F)F)c(C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)c1Cl ZINC000931918525 842843971 /nfs/dbraw/zinc/84/39/71/842843971.db2.gz OOGXULGHTXHVOE-JTQLQIEISA-N 1 2 379.707 3.959 20 30 GHEDLO Cn1nc(C(F)(F)F)c(C[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)c1Cl ZINC000931918525 842843980 /nfs/dbraw/zinc/84/39/80/842843980.db2.gz OOGXULGHTXHVOE-JTQLQIEISA-N 1 2 379.707 3.959 20 30 GHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCC#Cc2cccc(F)c2)c(C)c1 ZINC000512193738 842964346 /nfs/dbraw/zinc/96/43/46/842964346.db2.gz GOAITIGDKXNETJ-QFIPXVFZSA-N 1 2 390.462 3.731 20 30 GHEDLO COc1cc(OC)c(NC(=O)C[N@@H+]2CCOC[C@@H](C3CCC3)C2)cc1Cl ZINC000330257905 843035605 /nfs/dbraw/zinc/03/56/05/843035605.db2.gz QYGCGNUVQPMIBG-AWEZNQCLSA-N 1 2 382.888 3.694 20 30 GHEDLO COc1cc(OC)c(NC(=O)C[N@H+]2CCOC[C@@H](C3CCC3)C2)cc1Cl ZINC000330257905 843035614 /nfs/dbraw/zinc/03/56/14/843035614.db2.gz QYGCGNUVQPMIBG-AWEZNQCLSA-N 1 2 382.888 3.694 20 30 GHEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](NC(=O)CCCc3ccccc3)C2)c1 ZINC000510607277 843039535 /nfs/dbraw/zinc/03/95/35/843039535.db2.gz GFVQFLNRQFTHHX-NRFANRHFSA-N 1 2 379.479 3.801 20 30 GHEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](NC(=O)CCCc3ccccc3)C2)c1 ZINC000510607277 843039543 /nfs/dbraw/zinc/03/95/43/843039543.db2.gz GFVQFLNRQFTHHX-NRFANRHFSA-N 1 2 379.479 3.801 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCOc3ccccc3C2)c1 ZINC000603909144 861376271 /nfs/dbraw/zinc/37/62/71/861376271.db2.gz MFOFLOHPTWQLAA-IBGZPJMESA-N 1 2 377.488 3.833 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCOc3ccccc3C2)c1 ZINC000603909144 861376279 /nfs/dbraw/zinc/37/62/79/861376279.db2.gz MFOFLOHPTWQLAA-IBGZPJMESA-N 1 2 377.488 3.833 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2CC(=O)c2cccs2)cc1Cl ZINC000430997979 843399436 /nfs/dbraw/zinc/39/94/36/843399436.db2.gz CWLBDECRWTWRCD-OAHLLOKOSA-N 1 2 387.892 3.949 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2CC(=O)c2cccs2)cc1Cl ZINC000430997979 843399444 /nfs/dbraw/zinc/39/94/44/843399444.db2.gz CWLBDECRWTWRCD-OAHLLOKOSA-N 1 2 387.892 3.949 20 30 GHEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1 ZINC000510822047 843577541 /nfs/dbraw/zinc/57/75/41/843577541.db2.gz RHWFIHNEQMZTBS-UHFFFAOYSA-N 1 2 383.373 3.981 20 30 GHEDLO C=CCOc1ccc(Br)cc1NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000458047305 843578214 /nfs/dbraw/zinc/57/82/14/843578214.db2.gz ZFFVDIMDBFKGGY-LBPRGKRZSA-N 1 2 376.254 3.796 20 30 GHEDLO COC(=O)[C@H]1C[N@H+](Cc2ccc(C#N)cc2Br)Cc2ccccc21 ZINC000599667472 861460865 /nfs/dbraw/zinc/46/08/65/861460865.db2.gz RILBJJAZMUWQHL-KRWDZBQOSA-N 1 2 385.261 3.593 20 30 GHEDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Br)Cc2ccccc21 ZINC000599667472 861460872 /nfs/dbraw/zinc/46/08/72/861460872.db2.gz RILBJJAZMUWQHL-KRWDZBQOSA-N 1 2 385.261 3.593 20 30 GHEDLO CN(Cc1c(F)cccc1Cl)C(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599674701 861471611 /nfs/dbraw/zinc/47/16/11/861471611.db2.gz BIAZHQCZSCXPBK-UHFFFAOYSA-N 1 2 385.870 3.562 20 30 GHEDLO CN(Cc1c(F)cccc1Cl)C(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599674701 861471628 /nfs/dbraw/zinc/47/16/28/861471628.db2.gz BIAZHQCZSCXPBK-UHFFFAOYSA-N 1 2 385.870 3.562 20 30 GHEDLO COc1ccc([C@H]2CC[N@H+](CC(=O)Nc3ccccc3SCC#N)C2)cc1F ZINC000599677023 861473849 /nfs/dbraw/zinc/47/38/49/861473849.db2.gz GHEVAJPDMCLHJL-INIZCTEOSA-N 1 2 399.491 3.878 20 30 GHEDLO COc1ccc([C@H]2CC[N@@H+](CC(=O)Nc3ccccc3SCC#N)C2)cc1F ZINC000599677023 861473854 /nfs/dbraw/zinc/47/38/54/861473854.db2.gz GHEVAJPDMCLHJL-INIZCTEOSA-N 1 2 399.491 3.878 20 30 GHEDLO Cc1nccc([C@H]2CCC[N@@H+](CC(=O)/C=C3/N(C)c4ccccc4C3(C)C)C2)n1 ZINC000728916874 843947616 /nfs/dbraw/zinc/94/76/16/843947616.db2.gz RPDVLBRPEUNKTP-TTXZLZEXSA-N 1 2 390.531 3.845 20 30 GHEDLO Cc1nccc([C@H]2CCC[N@H+](CC(=O)/C=C3/N(C)c4ccccc4C3(C)C)C2)n1 ZINC000728916874 843947618 /nfs/dbraw/zinc/94/76/18/843947618.db2.gz RPDVLBRPEUNKTP-TTXZLZEXSA-N 1 2 390.531 3.845 20 30 GHEDLO O=C(Nc1cc(Cl)ccc1N1CCSCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000329478396 861499919 /nfs/dbraw/zinc/49/99/19/861499919.db2.gz QCQYLEZFBKCWCS-ZDUSSCGKSA-N 1 2 376.913 3.940 20 30 GHEDLO N#Cc1ccc(Br)cc1CN1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001141907953 861504933 /nfs/dbraw/zinc/50/49/33/861504933.db2.gz UUWJKEMQIIQSHZ-MRXNPFEDSA-N 1 2 384.268 3.626 20 30 GHEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000522479649 861506234 /nfs/dbraw/zinc/50/62/34/861506234.db2.gz IPCUYXOLUXCKRC-UHFFFAOYSA-N 1 2 391.431 3.678 20 30 GHEDLO CCc1cc(C#N)c(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)s1 ZINC000512644979 844886993 /nfs/dbraw/zinc/88/69/93/844886993.db2.gz XTCDEUWNMNWUSD-UHFFFAOYSA-N 1 2 393.472 3.660 20 30 GHEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)N1CCc2sccc2C1 ZINC000411191868 845064478 /nfs/dbraw/zinc/06/44/78/845064478.db2.gz KQXSTTOSQJGROZ-OAHLLOKOSA-N 1 2 385.489 3.618 20 30 GHEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)N1CCc2sccc2C1 ZINC000411191868 845064484 /nfs/dbraw/zinc/06/44/84/845064484.db2.gz KQXSTTOSQJGROZ-OAHLLOKOSA-N 1 2 385.489 3.618 20 30 GHEDLO COc1c(C)c[nH+]c(CN(C)c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)c1C ZINC000433771550 845313133 /nfs/dbraw/zinc/31/31/33/845313133.db2.gz RBIDIISCAGQENI-UHFFFAOYSA-N 1 2 377.404 3.672 20 30 GHEDLO O=C(Nc1ccn2cc[nH+]c2c1)N1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000329518610 861574854 /nfs/dbraw/zinc/57/48/54/861574854.db2.gz NRNJFPAVIJJLTG-MRXNPFEDSA-N 1 2 393.495 3.925 20 30 GHEDLO CCOc1cccc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 ZINC000119625475 845689801 /nfs/dbraw/zinc/68/98/01/845689801.db2.gz FAKQVPJXBADWRI-UHFFFAOYSA-N 1 2 378.432 3.527 20 30 GHEDLO N#Cc1cc(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)ccc1F ZINC000551479764 846391305 /nfs/dbraw/zinc/39/13/05/846391305.db2.gz AODWOHHAPAFIOQ-UHFFFAOYSA-N 1 2 388.406 3.586 20 30 GHEDLO Cc1noc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccccc3S[C@@H](C)CC#N)C2)n1 ZINC000108360348 846505655 /nfs/dbraw/zinc/50/56/55/846505655.db2.gz HFWRUBRZPDAYJG-GOEBONIOSA-N 1 2 399.520 3.590 20 30 GHEDLO Cc1noc([C@@H]2CCC[N@H+](CC(=O)Nc3ccccc3S[C@@H](C)CC#N)C2)n1 ZINC000108360348 846505659 /nfs/dbraw/zinc/50/56/59/846505659.db2.gz HFWRUBRZPDAYJG-GOEBONIOSA-N 1 2 399.520 3.590 20 30 GHEDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000329574349 861693120 /nfs/dbraw/zinc/69/31/20/861693120.db2.gz ARJJIZHMKDCYHT-LEWJYISDSA-N 1 2 388.471 3.680 20 30 GHEDLO CC1(C#N)CCN(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000272547088 847106693 /nfs/dbraw/zinc/10/66/93/847106693.db2.gz DNNBUZFYNYBLEJ-KRWDZBQOSA-N 1 2 392.906 3.951 20 30 GHEDLO C[C@H](CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1F ZINC000501827228 847218578 /nfs/dbraw/zinc/21/85/78/847218578.db2.gz HZSKUXUXLFCKLV-MRXNPFEDSA-N 1 2 383.442 3.674 20 30 GHEDLO C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccc(Cl)c(F)c1 ZINC000127731990 847364760 /nfs/dbraw/zinc/36/47/60/847364760.db2.gz IWWUUNXKZNGMNN-UHFFFAOYSA-N 1 2 397.841 3.607 20 30 GHEDLO C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccc(Cl)c(F)c1 ZINC000127731990 847364766 /nfs/dbraw/zinc/36/47/66/847364766.db2.gz IWWUUNXKZNGMNN-UHFFFAOYSA-N 1 2 397.841 3.607 20 30 GHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)Cc3ccc4c(c3)OCCO4)n2)C1 ZINC000329066005 847451416 /nfs/dbraw/zinc/45/14/16/847451416.db2.gz LGDZOOJYUGUWQM-AWEZNQCLSA-N 1 2 387.505 3.977 20 30 GHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)Cc3ccc4c(c3)OCCO4)n2)C1 ZINC000329066005 847451422 /nfs/dbraw/zinc/45/14/22/847451422.db2.gz LGDZOOJYUGUWQM-AWEZNQCLSA-N 1 2 387.505 3.977 20 30 GHEDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502507840 847950605 /nfs/dbraw/zinc/95/06/05/847950605.db2.gz PRSRYHTZYYRRLB-OAHLLOKOSA-N 1 2 376.416 3.583 20 30 GHEDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502507840 847950607 /nfs/dbraw/zinc/95/06/07/847950607.db2.gz PRSRYHTZYYRRLB-OAHLLOKOSA-N 1 2 376.416 3.583 20 30 GHEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3cc(C#N)ccc3Cl)CC2)c1 ZINC000511187101 848137181 /nfs/dbraw/zinc/13/71/81/848137181.db2.gz AHWQTWCODNXXMT-OAHLLOKOSA-N 1 2 383.879 3.739 20 30 GHEDLO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046528100 848337610 /nfs/dbraw/zinc/33/76/10/848337610.db2.gz OWCPNMSYPYBSQB-UHFFFAOYSA-N 1 2 387.487 3.740 20 30 GHEDLO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046528100 848337612 /nfs/dbraw/zinc/33/76/12/848337612.db2.gz OWCPNMSYPYBSQB-UHFFFAOYSA-N 1 2 387.487 3.740 20 30 GHEDLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1CCO[C@@H](C2CCCCC2)C1 ZINC000329685367 862055958 /nfs/dbraw/zinc/05/59/58/862055958.db2.gz URFBPJRRUHPJJE-OAQYLSRUSA-N 1 2 382.508 3.627 20 30 GHEDLO C[N@@H+]1CCO[C@H]([C@@H](Nc2c(C#N)cccc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000425244555 849898109 /nfs/dbraw/zinc/89/81/09/849898109.db2.gz HULLEJMGCHLXSD-HKUYNNGSSA-N 1 2 386.839 3.604 20 30 GHEDLO C[N@H+]1CCO[C@H]([C@@H](Nc2c(C#N)cccc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000425244555 849898113 /nfs/dbraw/zinc/89/81/13/849898113.db2.gz HULLEJMGCHLXSD-HKUYNNGSSA-N 1 2 386.839 3.604 20 30 GHEDLO C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000514732720 850235838 /nfs/dbraw/zinc/23/58/38/850235838.db2.gz NWPGXMKGJRSEQJ-UHFFFAOYSA-N 1 2 398.873 3.645 20 30 GHEDLO C=C(C)[C@@H](CC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)OCC ZINC000435328358 850374690 /nfs/dbraw/zinc/37/46/90/850374690.db2.gz QYUYZWBMHZLOQE-LJQANCHMSA-N 1 2 375.900 3.937 20 30 GHEDLO Cc1ccccc1O[C@H](C)C(=O)N1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000426622002 851003339 /nfs/dbraw/zinc/00/33/39/851003339.db2.gz ANAWLNZVCUHENN-RTBURBONSA-N 1 2 377.488 3.539 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](Cc3ccn(-c4ccccc4F)n3)CC2)cc1 ZINC000481754369 862199673 /nfs/dbraw/zinc/19/96/73/862199673.db2.gz HXYNBDCGTCOGOC-UHFFFAOYSA-N 1 2 376.435 3.926 20 30 GHEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)oc2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000436053464 851150843 /nfs/dbraw/zinc/15/08/43/851150843.db2.gz OCGJCBBZZYOKPJ-QZTJIDSGSA-N 1 2 375.831 3.818 20 30 GHEDLO CC[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)oc2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000436053464 851150844 /nfs/dbraw/zinc/15/08/44/851150844.db2.gz OCGJCBBZZYOKPJ-QZTJIDSGSA-N 1 2 375.831 3.818 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCc3ccc4ccccc4c3)CC2)cc1 ZINC000505431253 851279527 /nfs/dbraw/zinc/27/95/27/851279527.db2.gz QFVIQZSHUAZYRL-UHFFFAOYSA-N 1 2 398.510 3.781 20 30 GHEDLO C#CCOc1cccc(NC(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)c1 ZINC000732433326 862291020 /nfs/dbraw/zinc/29/10/20/862291020.db2.gz HDGFZZHNUZJFNP-KRWDZBQOSA-N 1 2 399.441 3.763 20 30 GHEDLO C#CCOc1cccc(NC(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)c1 ZINC000732433326 862291033 /nfs/dbraw/zinc/29/10/33/862291033.db2.gz HDGFZZHNUZJFNP-KRWDZBQOSA-N 1 2 399.441 3.763 20 30 GHEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000329776485 862315643 /nfs/dbraw/zinc/31/56/43/862315643.db2.gz JYKCXXBUROQEDX-MOXGXCLJSA-N 1 2 386.492 3.858 20 30 GHEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000329776485 862315662 /nfs/dbraw/zinc/31/56/62/862315662.db2.gz JYKCXXBUROQEDX-MOXGXCLJSA-N 1 2 386.492 3.858 20 30 GHEDLO C[C@H]1CN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C[C@@H](C2CC2)O1 ZINC000329844190 862367396 /nfs/dbraw/zinc/36/73/96/862367396.db2.gz XPDFGHBRPAMAHY-YWZLYKJASA-N 1 2 380.492 3.931 20 30 GHEDLO COc1ccc(OC)c(C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCO)c1 ZINC000427007158 852607452 /nfs/dbraw/zinc/60/74/52/852607452.db2.gz GFFFDUHFFHHJKX-UHFFFAOYSA-N 1 2 393.405 3.569 20 30 GHEDLO COc1ccc(OC)c(C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCO)c1 ZINC000427007158 852607459 /nfs/dbraw/zinc/60/74/59/852607459.db2.gz GFFFDUHFFHHJKX-UHFFFAOYSA-N 1 2 393.405 3.569 20 30 GHEDLO N#Cc1ccc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1C(F)(F)F ZINC000438642323 852663643 /nfs/dbraw/zinc/66/36/43/852663643.db2.gz PSKHPIPCVHIWDA-UHFFFAOYSA-N 1 2 394.422 3.988 20 30 GHEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH2+][C@@H](C)c2nccs2)c1C#N ZINC000184389720 853191826 /nfs/dbraw/zinc/19/18/26/853191826.db2.gz VGPSLUQNGGGQHQ-ZDUSSCGKSA-N 1 2 397.479 3.851 20 30 GHEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)c1 ZINC000518335003 853220325 /nfs/dbraw/zinc/22/03/25/853220325.db2.gz MKMKSMDAWYQFQN-GBESFXJTSA-N 1 2 395.453 3.721 20 30 GHEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)c1 ZINC000518335003 853220333 /nfs/dbraw/zinc/22/03/33/853220333.db2.gz MKMKSMDAWYQFQN-GBESFXJTSA-N 1 2 395.453 3.721 20 30 GHEDLO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC([O-])=[NH+][C@@H]2CCCC[C@H]2n2cccn2)C1 ZINC000329949016 862448474 /nfs/dbraw/zinc/44/84/74/862448474.db2.gz LFAWVWNQEPKJRK-GFOJFJKKSA-N 1 2 381.524 3.706 20 30 GHEDLO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC([O-])=[NH+][C@@H]2CCCC[C@H]2n2cccn2)C1 ZINC000329949016 862448482 /nfs/dbraw/zinc/44/84/82/862448482.db2.gz LFAWVWNQEPKJRK-GFOJFJKKSA-N 1 2 381.524 3.706 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1C#N)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000029686124 853362030 /nfs/dbraw/zinc/36/20/30/853362030.db2.gz QIOMRXUGWGREQX-DLBZAZTESA-N 1 2 396.922 3.917 20 30 GHEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000517102308 853380294 /nfs/dbraw/zinc/38/02/94/853380294.db2.gz VKHBRITVPIVAHS-JOCHJYFZSA-N 1 2 388.471 3.523 20 30 GHEDLO CCc1ccccc1NC(=O)C[N@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000491065137 853434281 /nfs/dbraw/zinc/43/42/81/853434281.db2.gz IYSLTDVHANPFGZ-UHFFFAOYSA-N 1 2 387.487 3.592 20 30 GHEDLO CCc1ccccc1NC(=O)C[N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000491065137 853434292 /nfs/dbraw/zinc/43/42/92/853434292.db2.gz IYSLTDVHANPFGZ-UHFFFAOYSA-N 1 2 387.487 3.592 20 30 GHEDLO COc1ccccc1O[C@@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000586784724 853545970 /nfs/dbraw/zinc/54/59/70/853545970.db2.gz XEBGGYYONLJUJB-QGZVFWFLSA-N 1 2 399.878 3.702 20 30 GHEDLO COc1ccccc1O[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000586784724 853545980 /nfs/dbraw/zinc/54/59/80/853545980.db2.gz XEBGGYYONLJUJB-QGZVFWFLSA-N 1 2 399.878 3.702 20 30 GHEDLO COc1cc(C[N@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)cc(OC)c1 ZINC000518603422 853557179 /nfs/dbraw/zinc/55/71/79/853557179.db2.gz VGUVNBLPQGEYOF-UHFFFAOYSA-N 1 2 395.503 3.699 20 30 GHEDLO COc1cc(C[N@@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)cc(OC)c1 ZINC000518603422 853557191 /nfs/dbraw/zinc/55/71/91/853557191.db2.gz VGUVNBLPQGEYOF-UHFFFAOYSA-N 1 2 395.503 3.699 20 30 GHEDLO CC[C@H]1C[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)CCCO1 ZINC000439465469 853676671 /nfs/dbraw/zinc/67/66/71/853676671.db2.gz FJIVRTTXGOZHBV-IBGZPJMESA-N 1 2 398.482 3.544 20 30 GHEDLO CC[C@H]1C[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)CCCO1 ZINC000439465469 853676673 /nfs/dbraw/zinc/67/66/73/853676673.db2.gz FJIVRTTXGOZHBV-IBGZPJMESA-N 1 2 398.482 3.544 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3(c4cccc(Cl)c4)CC3)CC2)cc1 ZINC000044602032 853687176 /nfs/dbraw/zinc/68/71/76/853687176.db2.gz VSVBJXNBZOVMOQ-UHFFFAOYSA-N 1 2 379.891 3.588 20 30 GHEDLO Cc1cc(C2CC[NH+](CC(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)n[nH]1 ZINC000543897865 853993814 /nfs/dbraw/zinc/99/38/14/853993814.db2.gz BFUDQTHYNOSKLE-INIZCTEOSA-N 1 2 397.548 3.931 20 30 GHEDLO Cc1cc(C2CC[NH+](CC(=O)Nc3ccccc3S[C@@H](C)CC#N)CC2)[nH]n1 ZINC000543897865 853993820 /nfs/dbraw/zinc/99/38/20/853993820.db2.gz BFUDQTHYNOSKLE-INIZCTEOSA-N 1 2 397.548 3.931 20 30 GHEDLO N#Cc1cccc(OCC[N@@H+]2CCO[C@H](c3ccc(Br)cc3)C2)c1 ZINC000520389085 854160540 /nfs/dbraw/zinc/16/05/40/854160540.db2.gz XUHMPJPUCHRMKM-IBGZPJMESA-N 1 2 387.277 3.773 20 30 GHEDLO N#Cc1cccc(OCC[N@H+]2CCO[C@H](c3ccc(Br)cc3)C2)c1 ZINC000520389085 854160542 /nfs/dbraw/zinc/16/05/42/854160542.db2.gz XUHMPJPUCHRMKM-IBGZPJMESA-N 1 2 387.277 3.773 20 30 GHEDLO C[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1cc(Br)cs1 ZINC000047752492 862542343 /nfs/dbraw/zinc/54/23/43/862542343.db2.gz WSWWZSPQXFNWIQ-UHFFFAOYSA-N 1 2 392.322 3.889 20 30 GHEDLO C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1cc(Br)cs1 ZINC000047752492 862542349 /nfs/dbraw/zinc/54/23/49/862542349.db2.gz WSWWZSPQXFNWIQ-UHFFFAOYSA-N 1 2 392.322 3.889 20 30 GHEDLO C=CCOc1ccc(C(=O)NC2(c3noc(C[NH+](CC)CC)n3)CCCC2)cc1 ZINC000124236598 854463911 /nfs/dbraw/zinc/46/39/11/854463911.db2.gz AGVUZTGENKIUOT-UHFFFAOYSA-N 1 2 398.507 3.676 20 30 GHEDLO CNC(=O)c1cccc(NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1C ZINC000328662109 854494032 /nfs/dbraw/zinc/49/40/32/854494032.db2.gz XDVYZDJAIVSSDV-INIZCTEOSA-N 1 2 395.507 3.887 20 30 GHEDLO Cc1nnc2ccc(C(=O)N[C@@H]3CC[N@@H+](C)[C@H]3c3ccc(Cl)c(F)c3)cn12 ZINC000328874116 854592534 /nfs/dbraw/zinc/59/25/34/854592534.db2.gz ZBGYERRUEAXYSU-AEFFLSMTSA-N 1 2 387.846 3.580 20 30 GHEDLO Cc1nnc2ccc(C(=O)N[C@@H]3CC[N@H+](C)[C@H]3c3ccc(Cl)c(F)c3)cn12 ZINC000328874116 854592542 /nfs/dbraw/zinc/59/25/42/854592542.db2.gz ZBGYERRUEAXYSU-AEFFLSMTSA-N 1 2 387.846 3.580 20 30 GHEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000045403728 854869827 /nfs/dbraw/zinc/86/98/27/854869827.db2.gz CCSKLXWDKPUKQA-UHFFFAOYSA-N 1 2 389.415 3.705 20 30 GHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCOC4(CCCC4)C3)n2)C1 ZINC000330157303 862622967 /nfs/dbraw/zinc/62/29/67/862622967.db2.gz POYOGRBBIVANTA-HNNXBMFYSA-N 1 2 378.542 3.566 20 30 GHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCOC4(CCCC4)C3)n2)C1 ZINC000330157303 862622972 /nfs/dbraw/zinc/62/29/72/862622972.db2.gz POYOGRBBIVANTA-HNNXBMFYSA-N 1 2 378.542 3.566 20 30 GHEDLO Cc1cccn2cc(CCNC(=O)N[C@@H](CCCC#N)c3ccccc3)[nH+]c12 ZINC000590070513 855274663 /nfs/dbraw/zinc/27/46/63/855274663.db2.gz BKHHFGYQXRWSCF-FQEVSTJZSA-N 1 2 375.476 3.920 20 30 GHEDLO C=CCOc1cccc(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)c1 ZINC000057370208 855370195 /nfs/dbraw/zinc/37/01/95/855370195.db2.gz OFLUDUKNJNBONJ-UHFFFAOYSA-N 1 2 390.443 3.729 20 30 GHEDLO N#C[C@]1(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)CC12CCCC2 ZINC000590618368 855511715 /nfs/dbraw/zinc/51/17/15/855511715.db2.gz VWQTVKYOBCBCRX-FQEVSTJZSA-N 1 2 391.437 3.824 20 30 GHEDLO N#Cc1ccnc(N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)c1[N+](=O)[O-] ZINC000301637651 855730119 /nfs/dbraw/zinc/73/01/19/855730119.db2.gz FNPNBVOVRCQOLT-HNNXBMFYSA-N 1 2 389.818 3.730 20 30 GHEDLO N#Cc1ccnc(N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)c1[N+](=O)[O-] ZINC000301637651 855730125 /nfs/dbraw/zinc/73/01/25/855730125.db2.gz FNPNBVOVRCQOLT-HNNXBMFYSA-N 1 2 389.818 3.730 20 30 GHEDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000330277246 862714494 /nfs/dbraw/zinc/71/44/94/862714494.db2.gz NZATZCPMOMRNNG-ZCNNSNEGSA-N 1 2 380.492 3.979 20 30 GHEDLO N#Cc1ccc(CN(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)C2CC2)cc1 ZINC000171300265 856079670 /nfs/dbraw/zinc/07/96/70/856079670.db2.gz PKRLXOYFUIAJGD-UHFFFAOYSA-N 1 2 399.498 3.720 20 30 GHEDLO N#CCc1cccc(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)c1 ZINC000485413821 856475238 /nfs/dbraw/zinc/47/52/38/856475238.db2.gz VLZKEYYBVCBCRY-UHFFFAOYSA-N 1 2 384.443 3.641 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC([C@@H](O)c3ccccc3)CC2)c(C#N)c1C ZINC000063491992 856977861 /nfs/dbraw/zinc/97/78/61/856977861.db2.gz IKVZKCKBHHVPKB-QRWLVFNGSA-N 1 2 381.476 3.541 20 30 GHEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(c2c(F)cccc2F)CC1 ZINC000485886471 857193850 /nfs/dbraw/zinc/19/38/50/857193850.db2.gz BTAUGZXMNIEYET-HNNXBMFYSA-N 1 2 375.463 3.875 20 30 GHEDLO N#Cc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1C(F)(F)F ZINC000174090314 857207452 /nfs/dbraw/zinc/20/74/52/857207452.db2.gz ACAOLBFAUYJUOH-UHFFFAOYSA-N 1 2 389.381 3.894 20 30 GHEDLO C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccc2c(c1)OCO2 ZINC000019541893 857523003 /nfs/dbraw/zinc/52/30/03/857523003.db2.gz JZKGKHMXLKURTA-UHFFFAOYSA-N 1 2 397.500 3.688 20 30 GHEDLO C[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccc2c(c1)OCO2 ZINC000019541893 857523014 /nfs/dbraw/zinc/52/30/14/857523014.db2.gz JZKGKHMXLKURTA-UHFFFAOYSA-N 1 2 397.500 3.688 20 30 GHEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000648716357 857631444 /nfs/dbraw/zinc/63/14/44/857631444.db2.gz FJMLEKFPGMZRJS-KRWDZBQOSA-N 1 2 375.925 3.976 20 30 GHEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000648716357 857631447 /nfs/dbraw/zinc/63/14/47/857631447.db2.gz FJMLEKFPGMZRJS-KRWDZBQOSA-N 1 2 375.925 3.976 20 30 GHEDLO CCOc1ccc2nc(NC(=O)C[N@H+](C)Cc3ccc(C#N)cc3)sc2c1 ZINC000046527966 858047399 /nfs/dbraw/zinc/04/73/99/858047399.db2.gz NFLRJMOBNDZMTA-UHFFFAOYSA-N 1 2 380.473 3.637 20 30 GHEDLO CCOc1ccc2nc(NC(=O)C[N@@H+](C)Cc3ccc(C#N)cc3)sc2c1 ZINC000046527966 858047404 /nfs/dbraw/zinc/04/74/04/858047404.db2.gz NFLRJMOBNDZMTA-UHFFFAOYSA-N 1 2 380.473 3.637 20 30 GHEDLO N#Cc1ccncc1N1CC[NH+](Cc2oc3ccccc3c2Br)CC1 ZINC000594609300 858240553 /nfs/dbraw/zinc/24/05/53/858240553.db2.gz JWNZUFISNCGQMR-UHFFFAOYSA-N 1 2 397.276 3.784 20 30 GHEDLO C=CCOc1ccc(C[N@@H+](C)[C@@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000132385582 858401269 /nfs/dbraw/zinc/40/12/69/858401269.db2.gz QQCLJAXTYKQZOK-GOSISDBHSA-N 1 2 389.293 3.672 20 30 GHEDLO C=CCOc1ccc(C[N@H+](C)[C@@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000132385582 858401276 /nfs/dbraw/zinc/40/12/76/858401276.db2.gz QQCLJAXTYKQZOK-GOSISDBHSA-N 1 2 389.293 3.672 20 30 GHEDLO N#CC[C@@H]1CCCN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000595499898 858545994 /nfs/dbraw/zinc/54/59/94/858545994.db2.gz ONBKFZCVHDUOME-YJBOKZPZSA-N 1 2 392.906 3.779 20 30 GHEDLO N#CC[C@@H]1CCCN(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000595499898 858545996 /nfs/dbraw/zinc/54/59/96/858545996.db2.gz ONBKFZCVHDUOME-YJBOKZPZSA-N 1 2 392.906 3.779 20 30 GHEDLO C[C@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000595518324 858550975 /nfs/dbraw/zinc/55/09/75/858550975.db2.gz VHWVYWKYJZVMOV-PBHICJAKSA-N 1 2 398.894 3.715 20 30 GHEDLO C[C@H](c1nc2ccc(Cl)cc2[nH]1)[N@@H+](C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000595518324 858550978 /nfs/dbraw/zinc/55/09/78/858550978.db2.gz VHWVYWKYJZVMOV-PBHICJAKSA-N 1 2 398.894 3.715 20 30 GHEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCC[C@H](CC#N)C2)c1C#N ZINC000595616543 858618318 /nfs/dbraw/zinc/61/83/18/858618318.db2.gz RUGRACJXLXDLLK-QGZVFWFLSA-N 1 2 393.466 3.669 20 30 GHEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CCC[C@H](CC#N)C2)c1C#N ZINC000595616543 858618323 /nfs/dbraw/zinc/61/83/23/858618323.db2.gz RUGRACJXLXDLLK-QGZVFWFLSA-N 1 2 393.466 3.669 20 30 GHEDLO CC(C)([NH2+]Cc1nnnn1-c1ccc(C(F)(F)F)cc1)c1cccc(C#N)c1 ZINC000595634900 858625321 /nfs/dbraw/zinc/62/53/21/858625321.db2.gz HVYULDHIEQKLLC-UHFFFAOYSA-N 1 2 386.381 3.578 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(c2ccon2)CC1 ZINC000595828131 858700488 /nfs/dbraw/zinc/70/04/88/858700488.db2.gz JLBWREGUPOSZDL-HNNXBMFYSA-N 1 2 384.505 3.744 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC3(CCc4ccccc4O3)CC2)c(C#N)c1C ZINC000595828854 858701348 /nfs/dbraw/zinc/70/13/48/858701348.db2.gz OQSBZQSCPUKTNR-INIZCTEOSA-N 1 2 393.487 3.955 20 30 GHEDLO C[C@]1(C#N)CCN(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000596129217 858787273 /nfs/dbraw/zinc/78/72/73/858787273.db2.gz QSTFKLVKRWZTMO-QFBILLFUSA-N 1 2 378.879 3.561 20 30 GHEDLO N#Cc1ccc(Oc2ccc(C(=O)NCc3cccc(-n4cc[nH+]c4)c3)cc2)nc1 ZINC000522375130 859253160 /nfs/dbraw/zinc/25/31/60/859253160.db2.gz GZLCBTPDYJLPPT-UHFFFAOYSA-N 1 2 395.422 3.861 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000476532959 881401142 /nfs/dbraw/zinc/40/11/42/881401142.db2.gz KBIOOLIAVIFSDL-WOJBJXKFSA-N 1 2 383.442 3.941 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000476532959 881401158 /nfs/dbraw/zinc/40/11/58/881401158.db2.gz KBIOOLIAVIFSDL-WOJBJXKFSA-N 1 2 383.442 3.941 20 30 GHEDLO C=CC[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccncc1 ZINC000764406525 859430789 /nfs/dbraw/zinc/43/07/89/859430789.db2.gz IXABUNHMOIDQQU-UFYCRDLUSA-N 1 2 386.446 3.722 20 30 GHEDLO C=CC[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccncc1 ZINC000764406525 859430793 /nfs/dbraw/zinc/43/07/93/859430793.db2.gz IXABUNHMOIDQQU-UFYCRDLUSA-N 1 2 386.446 3.722 20 30 GHEDLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)CC2(C#N)CCCCC2)c2ccc(Cl)cc2)C1 ZINC000597456821 859546825 /nfs/dbraw/zinc/54/68/25/859546825.db2.gz IKZVAKSCKQITNL-ICSRJNTNSA-N 1 2 389.927 3.692 20 30 GHEDLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)CC2(C#N)CCCCC2)c2ccc(Cl)cc2)C1 ZINC000597456821 859546832 /nfs/dbraw/zinc/54/68/32/859546832.db2.gz IKZVAKSCKQITNL-ICSRJNTNSA-N 1 2 389.927 3.692 20 30 GHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+](CCOC)C2CCCC2)c1=S ZINC000764943678 859680835 /nfs/dbraw/zinc/68/08/35/859680835.db2.gz BBCIDDNIGXTTOE-UHFFFAOYSA-N 1 2 387.553 3.901 20 30 GHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+](CCOC)C2CCCC2)c1=S ZINC000764943678 859680842 /nfs/dbraw/zinc/68/08/42/859680842.db2.gz BBCIDDNIGXTTOE-UHFFFAOYSA-N 1 2 387.553 3.901 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+](C)C[C@@H](C)c2ccccc2)c1=S ZINC000764960751 859708716 /nfs/dbraw/zinc/70/87/16/859708716.db2.gz FDFRVGSBLINBNP-MRXNPFEDSA-N 1 2 380.521 3.750 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+](C)C[C@@H](C)c2ccccc2)c1=S ZINC000764960751 859708720 /nfs/dbraw/zinc/70/87/20/859708720.db2.gz FDFRVGSBLINBNP-MRXNPFEDSA-N 1 2 380.521 3.750 20 30 GHEDLO C[C@@H]([NH2+]Cc1cn(-c2ccccc2Br)nn1)c1cccc(C#N)c1 ZINC000611438885 859761317 /nfs/dbraw/zinc/76/13/17/859761317.db2.gz JBOMDZUIBLVJKQ-CYBMUJFWSA-N 1 2 382.265 3.752 20 30 GHEDLO CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000123413934 859955759 /nfs/dbraw/zinc/95/57/59/859955759.db2.gz QRKAPVPDAIBFBA-FQEVSTJZSA-N 1 2 397.544 3.604 20 30 GHEDLO CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000123413934 859955765 /nfs/dbraw/zinc/95/57/65/859955765.db2.gz QRKAPVPDAIBFBA-FQEVSTJZSA-N 1 2 397.544 3.604 20 30 GHEDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc(C(C)(C)C#N)cc3)CC2)cc1 ZINC000474407523 860005008 /nfs/dbraw/zinc/00/50/08/860005008.db2.gz DKKKARRBJULOOZ-UHFFFAOYSA-N 1 2 391.515 3.844 20 30 GHEDLO CC(C)(C)c1cc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(C#N)s1 ZINC000154253731 860036317 /nfs/dbraw/zinc/03/63/17/860036317.db2.gz JPTUTGXRWKNPNQ-QGZVFWFLSA-N 1 2 383.517 3.757 20 30 GHEDLO CC(C)(C)c1cc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(C#N)s1 ZINC000154253731 860036327 /nfs/dbraw/zinc/03/63/27/860036327.db2.gz JPTUTGXRWKNPNQ-QGZVFWFLSA-N 1 2 383.517 3.757 20 30 GHEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000092486004 860059887 /nfs/dbraw/zinc/05/98/87/860059887.db2.gz FZWWGIAEGCDBLB-UHFFFAOYSA-N 1 2 384.487 3.949 20 30 GHEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000092486004 860059898 /nfs/dbraw/zinc/05/98/98/860059898.db2.gz FZWWGIAEGCDBLB-UHFFFAOYSA-N 1 2 384.487 3.949 20 30 GHEDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000727494339 860109432 /nfs/dbraw/zinc/10/94/32/860109432.db2.gz QNJJIASKBSOMCB-HXUWFJFHSA-N 1 2 392.459 3.771 20 30 GHEDLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCCN(c3ccccc3C#N)CC2)c(F)c1 ZINC000123926062 860151070 /nfs/dbraw/zinc/15/10/70/860151070.db2.gz DDFCMIZUXZHJCC-QGZVFWFLSA-N 1 2 380.467 3.545 20 30 GHEDLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCCN(c3ccccc3C#N)CC2)c(F)c1 ZINC000123926062 860151080 /nfs/dbraw/zinc/15/10/80/860151080.db2.gz DDFCMIZUXZHJCC-QGZVFWFLSA-N 1 2 380.467 3.545 20 30 GHEDLO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[N@@H+]3CC[C@@](C)(O)C3)sc2C1 ZINC000484973900 860546767 /nfs/dbraw/zinc/54/67/67/860546767.db2.gz GJVXIQOFYVKLBP-LHSJRXKWSA-N 1 2 389.565 3.556 20 30 GHEDLO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[N@H+]3CC[C@@](C)(O)C3)sc2C1 ZINC000484973900 860546776 /nfs/dbraw/zinc/54/67/76/860546776.db2.gz GJVXIQOFYVKLBP-LHSJRXKWSA-N 1 2 389.565 3.556 20 30 GHEDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000329013498 860948499 /nfs/dbraw/zinc/94/84/99/860948499.db2.gz FJUMPMPGXXVHHF-PMACEKPBSA-N 1 2 382.508 3.824 20 30 GHEDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000329013498 860948515 /nfs/dbraw/zinc/94/85/15/860948515.db2.gz FJUMPMPGXXVHHF-PMACEKPBSA-N 1 2 382.508 3.824 20 30 GHEDLO Cc1nc(NCc2cccc(C(=O)N[C@@H](CCCC#N)c3ccccc3)c2)cc[nH+]1 ZINC000487455593 863081047 /nfs/dbraw/zinc/08/10/47/863081047.db2.gz NJRXHNUFSLYGSK-QFIPXVFZSA-N 1 2 399.498 3.984 20 30 GHEDLO Cc1ccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)c(O[C@H](C)CC(C)C)c1 ZINC000131254838 863088909 /nfs/dbraw/zinc/08/89/09/863088909.db2.gz DPPAWFIBRIRFJF-VGSWGCGISA-N 1 2 379.504 3.996 20 30 GHEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000593965816 863534811 /nfs/dbraw/zinc/53/48/11/863534811.db2.gz VVZSJZXQZULHHF-QRVBRYPASA-N 1 2 391.515 3.985 20 30 GHEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000593965816 863534815 /nfs/dbraw/zinc/53/48/15/863534815.db2.gz VVZSJZXQZULHHF-QRVBRYPASA-N 1 2 391.515 3.985 20 30 GHEDLO C=CCOc1ccc(C[NH2+][C@@H]2CS(=O)(=O)Cc3ccccc32)cc1Cl ZINC000621735229 864389986 /nfs/dbraw/zinc/38/99/86/864389986.db2.gz DPUACTQAVQLWMF-GOSISDBHSA-N 1 2 377.893 3.664 20 30 GHEDLO C=CC[N@@H+](CC(=O)N(Cc1ccco1)CC(F)(F)F)Cc1cccc(C#N)c1 ZINC000063300456 864506253 /nfs/dbraw/zinc/50/62/53/864506253.db2.gz LBNPWXBAYMGOMC-UHFFFAOYSA-N 1 2 391.393 3.730 20 30 GHEDLO C=CC[N@H+](CC(=O)N(Cc1ccco1)CC(F)(F)F)Cc1cccc(C#N)c1 ZINC000063300456 864506262 /nfs/dbraw/zinc/50/62/62/864506262.db2.gz LBNPWXBAYMGOMC-UHFFFAOYSA-N 1 2 391.393 3.730 20 30 GHEDLO Cc1[nH+]cc(CN=Nc2nc(C)cc(C)n2)n1-c1ccc(Br)cc1 ZINC000734976510 864572736 /nfs/dbraw/zinc/57/27/36/864572736.db2.gz BVQRELLMNUEDJE-UHFFFAOYSA-N 1 2 385.269 3.796 20 30 GHEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000607755190 864705325 /nfs/dbraw/zinc/70/53/25/864705325.db2.gz OGJMSDGNPSNKGH-AMHTUMDSSA-N 1 2 385.479 3.756 20 30 GHEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000607755190 864705328 /nfs/dbraw/zinc/70/53/28/864705328.db2.gz OGJMSDGNPSNKGH-AMHTUMDSSA-N 1 2 385.479 3.756 20 30 GHEDLO COc1cccc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c1OC ZINC000475343609 864820114 /nfs/dbraw/zinc/82/01/14/864820114.db2.gz TZKBJPHNQXMXNN-IBGZPJMESA-N 1 2 385.895 3.740 20 30 GHEDLO CC[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)[C@@H](C)CS(C)(=O)=O ZINC000193054339 865316175 /nfs/dbraw/zinc/31/61/75/865316175.db2.gz JITWNCGSKMBYDT-IBGZPJMESA-N 1 2 384.545 3.641 20 30 GHEDLO CC[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)[C@@H](C)CS(C)(=O)=O ZINC000193054339 865316194 /nfs/dbraw/zinc/31/61/94/865316194.db2.gz JITWNCGSKMBYDT-IBGZPJMESA-N 1 2 384.545 3.641 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+](CC)C[C@H]2CCOC2)c1=S ZINC000738083899 865482788 /nfs/dbraw/zinc/48/27/88/865482788.db2.gz YFKPJTFVUXMXAC-OAHLLOKOSA-N 1 2 376.501 3.722 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+](CC)C[C@H]2CCOC2)c1=S ZINC000738083899 865482794 /nfs/dbraw/zinc/48/27/94/865482794.db2.gz YFKPJTFVUXMXAC-OAHLLOKOSA-N 1 2 376.501 3.722 20 30 GHEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000594288328 865714756 /nfs/dbraw/zinc/71/47/56/865714756.db2.gz UCLBGQPIQHOSSV-VQIMIIECSA-N 1 2 397.469 3.796 20 30 GHEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000594288328 865714758 /nfs/dbraw/zinc/71/47/58/865714758.db2.gz UCLBGQPIQHOSSV-VQIMIIECSA-N 1 2 397.469 3.796 20 30 GHEDLO C=C(C)Cn1c(CC)nnc1N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000555243442 865778231 /nfs/dbraw/zinc/77/82/31/865778231.db2.gz UAOWOBSAUWIIDJ-UHFFFAOYSA-N 1 2 393.457 3.758 20 30 GHEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000739912119 865826556 /nfs/dbraw/zinc/82/65/56/865826556.db2.gz FUOAGLJNLIKIHU-JOCHJYFZSA-N 1 2 389.455 3.992 20 30 GHEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000739912119 865826567 /nfs/dbraw/zinc/82/65/67/865826567.db2.gz FUOAGLJNLIKIHU-JOCHJYFZSA-N 1 2 389.455 3.992 20 30 GHEDLO C=C(C)[C@@H](CC(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1)OCC ZINC000535154958 868286755 /nfs/dbraw/zinc/28/67/55/868286755.db2.gz ZLNKGGTZUKNXIC-LJQANCHMSA-N 1 2 381.480 3.633 20 30 GHEDLO N#C[C@H](C(=O)c1ccc(C[NH+]2CCSCC2)cc1)c1cnc2ccccc2n1 ZINC000554011849 868618799 /nfs/dbraw/zinc/61/87/99/868618799.db2.gz BHTOWOMBFVZRJW-SFHVURJKSA-N 1 2 388.496 3.669 20 30 GHEDLO CC(C)[C@@H](C(=O)Nc1cccc(C#Cc2ccccn2)c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000621107213 868721284 /nfs/dbraw/zinc/72/12/84/868721284.db2.gz RYLPPJNGYGTEPH-PWHSHALESA-N 1 2 391.515 3.554 20 30 GHEDLO Cc1ccc(O[C@@H](C)C(=O)N2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)c(C)c1 ZINC000524591680 869317787 /nfs/dbraw/zinc/31/77/87/869317787.db2.gz POWAUORIALQFEU-UXHICEINSA-N 1 2 391.515 3.848 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)Nc2ccc(F)c(C#N)c2)[C@@H](C)C1 ZINC000440978279 869503257 /nfs/dbraw/zinc/50/32/57/869503257.db2.gz KJGWOAHGCJIYTF-INIZCTEOSA-N 1 2 396.466 3.834 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)Nc2ccc(F)c(C#N)c2)[C@@H](C)C1 ZINC000440978279 869503263 /nfs/dbraw/zinc/50/32/63/869503263.db2.gz KJGWOAHGCJIYTF-INIZCTEOSA-N 1 2 396.466 3.834 20 30 GHEDLO CCOc1ccc(C[NH+]2CCN(C(=O)Nc3cccc(CC#N)c3)CC2)cc1 ZINC000455917538 870622754 /nfs/dbraw/zinc/62/27/54/870622754.db2.gz JWRSMNILIXMVGU-UHFFFAOYSA-N 1 2 378.476 3.501 20 30 GHEDLO Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000525435347 870671455 /nfs/dbraw/zinc/67/14/55/870671455.db2.gz YFQRKMRCKUYFBW-UHFFFAOYSA-N 1 2 392.484 3.867 20 30 GHEDLO CCOC(=O)C[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H](C)c1ccccc1 ZINC001192964744 870819961 /nfs/dbraw/zinc/81/99/61/870819961.db2.gz MTGCDJGVRZTDAP-QGZVFWFLSA-N 1 2 379.460 3.513 20 30 GHEDLO CCOC(=O)C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H](C)c1ccccc1 ZINC001192964744 870819971 /nfs/dbraw/zinc/81/99/71/870819971.db2.gz MTGCDJGVRZTDAP-QGZVFWFLSA-N 1 2 379.460 3.513 20 30 GHEDLO C[C@@H](C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1)c1cccc(C#N)c1 ZINC000461740589 870887873 /nfs/dbraw/zinc/88/78/73/870887873.db2.gz UUFCIVPVYWXWGQ-QGZVFWFLSA-N 1 2 397.906 3.538 20 30 GHEDLO C=CC[NH+]1CCN(C(=O)c2cc(OCc3ccccc3)c(OC)cc2C)CC1 ZINC001193363670 871052264 /nfs/dbraw/zinc/05/22/64/871052264.db2.gz AOADXGIARLHGHM-UHFFFAOYSA-N 1 2 380.488 3.526 20 30 GHEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@H](c3ccccc3C)C2)c(OC)c1 ZINC000525637081 871123058 /nfs/dbraw/zinc/12/30/58/871123058.db2.gz XWSYVXKXJIZAJT-YKSBVNFPSA-N 1 2 397.515 3.545 20 30 GHEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCO[C@H](c3ccccc3C)C2)c(OC)c1 ZINC000525637081 871123069 /nfs/dbraw/zinc/12/30/69/871123069.db2.gz XWSYVXKXJIZAJT-YKSBVNFPSA-N 1 2 397.515 3.545 20 30 GHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000766585775 871192575 /nfs/dbraw/zinc/19/25/75/871192575.db2.gz WUQZXBDWTAMTOM-IRXDYDNUSA-N 1 2 383.492 3.540 20 30 GHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000766585775 871192582 /nfs/dbraw/zinc/19/25/82/871192582.db2.gz WUQZXBDWTAMTOM-IRXDYDNUSA-N 1 2 383.492 3.540 20 30 GHEDLO CCCCCCCCOC(=O)N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C ZINC001194740391 871902260 /nfs/dbraw/zinc/90/22/60/871902260.db2.gz JQHVHXLBPXGGNG-UHFFFAOYSA-N 1 2 376.545 3.925 20 30 GHEDLO C[C@H](c1cccc(NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)c1)[NH+]1CCOCC1 ZINC000618753744 871952842 /nfs/dbraw/zinc/95/28/42/871952842.db2.gz GCDCBGHBHJBQEO-OPAMFIHVSA-N 1 2 390.487 3.760 20 30 GHEDLO CC(C)(C)OC(=O)[C@]1(C)CC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC001194907976 872025182 /nfs/dbraw/zinc/02/51/82/872025182.db2.gz ZSVPKSJCVZSEJW-GOSISDBHSA-N 1 2 379.298 3.874 20 30 GHEDLO CC(C)(C)OC(=O)[C@]1(C)CC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC001194907976 872025194 /nfs/dbraw/zinc/02/51/94/872025194.db2.gz ZSVPKSJCVZSEJW-GOSISDBHSA-N 1 2 379.298 3.874 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CC(c3nc4ccccc4[nH]3)C2)cc1 ZINC000766934767 872081178 /nfs/dbraw/zinc/08/11/78/872081178.db2.gz DAGHUMBNJCKGTC-QGZVFWFLSA-N 1 2 387.487 3.606 20 30 GHEDLO N#C[C@H]1C[N@@H+](CCCc2c(F)cccc2Cl)C[C@@]12C(=O)Nc1ccccc12 ZINC000447728028 872166144 /nfs/dbraw/zinc/16/61/44/872166144.db2.gz KKKPPPOKPPCOKI-LHSJRXKWSA-N 1 2 383.854 3.757 20 30 GHEDLO N#C[C@H]1C[N@H+](CCCc2c(F)cccc2Cl)C[C@@]12C(=O)Nc1ccccc12 ZINC000447728028 872166155 /nfs/dbraw/zinc/16/61/55/872166155.db2.gz KKKPPPOKPPCOKI-LHSJRXKWSA-N 1 2 383.854 3.757 20 30 GHEDLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)N[C@@](C)(C#N)C2CC2)ccc1Br ZINC000619532061 872715171 /nfs/dbraw/zinc/71/51/71/872715171.db2.gz QBNRUIVFGHYOSY-MJGOQNOKSA-N 1 2 390.325 3.703 20 30 GHEDLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)N[C@@](C)(C#N)C2CC2)ccc1Br ZINC000619532061 872715182 /nfs/dbraw/zinc/71/51/82/872715182.db2.gz QBNRUIVFGHYOSY-MJGOQNOKSA-N 1 2 390.325 3.703 20 30 GHEDLO C=CCOc1ccc(/C=C/C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1OC ZINC000921146880 882660138 /nfs/dbraw/zinc/66/01/38/882660138.db2.gz KLOPYVIGVJWLAD-YRNVUSSQSA-N 1 2 389.455 3.775 20 30 GHEDLO CC(C)(C#N)c1ccccc1COC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000768028541 873033424 /nfs/dbraw/zinc/03/34/24/873033424.db2.gz YMINUVBJUXNZLD-QFIPXVFZSA-N 1 2 392.499 3.729 20 30 GHEDLO C=C(Br)C[NH+]1CCC(Cc2nc(C)c(C(=O)OCC)s2)CC1 ZINC001197376726 873784290 /nfs/dbraw/zinc/78/42/90/873784290.db2.gz GWYMNWUTWBNQOX-UHFFFAOYSA-N 1 2 387.343 3.791 20 30 GHEDLO C[C@@H](C#N)CN[NH+]=CC1=C(N2CCOCC2)/C(=C\c2ccc(Cl)cc2)CC1 ZINC000771097768 875038471 /nfs/dbraw/zinc/03/84/71/875038471.db2.gz JAOQZRMJXIOYNT-XYOXPZHBSA-N 1 2 384.911 3.839 20 30 GHEDLO COCc1ccc(NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1C#N ZINC000529205911 875823739 /nfs/dbraw/zinc/82/37/39/875823739.db2.gz UIRNJDTULIMBJU-INIZCTEOSA-N 1 2 393.491 3.649 20 30 GHEDLO COc1cccc([C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)c2ccccc2Cl)c1 ZINC000172921599 876016211 /nfs/dbraw/zinc/01/62/11/876016211.db2.gz FWQABWCNFOTXPZ-VXKWHMMOSA-N 1 2 397.906 3.836 20 30 GHEDLO C=CCn1c(-c2ccccc2OC)nn(C[N@H+](C)C[C@H]2CCCOC2)c1=S ZINC000107670624 876383145 /nfs/dbraw/zinc/38/31/45/876383145.db2.gz NQLASYRJWCZCKX-MRXNPFEDSA-N 1 2 388.537 3.592 20 30 GHEDLO C=CCn1c(-c2ccccc2OC)nn(C[N@@H+](C)C[C@H]2CCCOC2)c1=S ZINC000107670624 876383161 /nfs/dbraw/zinc/38/31/61/876383161.db2.gz NQLASYRJWCZCKX-MRXNPFEDSA-N 1 2 388.537 3.592 20 30 GHEDLO C#CC[C@@H](NC(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1)c1ccccc1 ZINC000858323171 883023916 /nfs/dbraw/zinc/02/39/16/883023916.db2.gz QFURAJACBOVTLH-JOCHJYFZSA-N 1 2 386.499 3.760 20 30 GHEDLO CC(C)(Cc1ccc(C#N)cc1)NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000913972060 877238802 /nfs/dbraw/zinc/23/88/02/877238802.db2.gz SVYXQAWXGGYWLU-UHFFFAOYSA-N 1 2 387.487 3.624 20 30 GHEDLO C=C(C)C[C@H](C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787390945 877389664 /nfs/dbraw/zinc/38/96/64/877389664.db2.gz VDSCJJMDHUJMDC-AWEZNQCLSA-N 1 2 380.330 3.742 20 30 GHEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC(Oc3cccc(C#N)c3)CC1)C2 ZINC000530281855 877441449 /nfs/dbraw/zinc/44/14/49/877441449.db2.gz PRMQERIUYUSKJJ-QGZVFWFLSA-N 1 2 392.503 3.580 20 30 GHEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC(Oc3cccc(C#N)c3)CC1)CC2 ZINC000530281855 877441463 /nfs/dbraw/zinc/44/14/63/877441463.db2.gz PRMQERIUYUSKJJ-QGZVFWFLSA-N 1 2 392.503 3.580 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1Cl ZINC000477490199 877725172 /nfs/dbraw/zinc/72/51/72/877725172.db2.gz LOXNISITVIIOTB-QGZVFWFLSA-N 1 2 383.835 3.716 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1Cl ZINC000477490199 877725180 /nfs/dbraw/zinc/72/51/80/877725180.db2.gz LOXNISITVIIOTB-QGZVFWFLSA-N 1 2 383.835 3.716 20 30 GHEDLO COc1ccc(Br)c([C@H](CO)[N@H+](C)Cc2ccc(CC#N)cc2)c1 ZINC000451464942 878011291 /nfs/dbraw/zinc/01/12/91/878011291.db2.gz VCODVZKQXBFZCU-IBGZPJMESA-N 1 2 389.293 3.689 20 30 GHEDLO COc1ccc(Br)c([C@H](CO)[N@@H+](C)Cc2ccc(CC#N)cc2)c1 ZINC000451464942 878011312 /nfs/dbraw/zinc/01/13/12/878011312.db2.gz VCODVZKQXBFZCU-IBGZPJMESA-N 1 2 389.293 3.689 20 30 GHEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000852329303 878245261 /nfs/dbraw/zinc/24/52/61/878245261.db2.gz XUTVPKXBQLUZAB-NRFANRHFSA-N 1 2 393.878 3.885 20 30 GHEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000852329303 878245275 /nfs/dbraw/zinc/24/52/75/878245275.db2.gz XUTVPKXBQLUZAB-NRFANRHFSA-N 1 2 393.878 3.885 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc4c5c(cccc53)CC4)CC2)cc1 ZINC000027103387 878400977 /nfs/dbraw/zinc/40/09/77/878400977.db2.gz NRHCBHKQRGRHDV-UHFFFAOYSA-N 1 2 381.479 3.768 20 30 GHEDLO CC(C)c1csc([C@H](C#N)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000177751168 878841474 /nfs/dbraw/zinc/84/14/74/878841474.db2.gz BKHNFJMVWZZMSL-CYBMUJFWSA-N 1 2 381.417 3.850 20 30 GHEDLO N#Cc1ccc(Br)c(N[NH+]=Cc2ccc(N3CCOCC3)s2)c1 ZINC000853395535 879002296 /nfs/dbraw/zinc/00/22/96/879002296.db2.gz AOHSYNOCZMYKJX-UHFFFAOYSA-N 1 2 391.294 3.665 20 30 GHEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(-c3ccc(C(=O)OC)cc3)o2)n1 ZINC000789761386 879240403 /nfs/dbraw/zinc/24/04/03/879240403.db2.gz AXBPYTNAVZFEHQ-UHFFFAOYSA-N 1 2 377.444 3.585 20 30 GHEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(-c3ccc(C(=O)OC)cc3)o2)n1 ZINC000789761386 879240416 /nfs/dbraw/zinc/24/04/16/879240416.db2.gz AXBPYTNAVZFEHQ-UHFFFAOYSA-N 1 2 377.444 3.585 20 30 GHEDLO C#C[C@@H](CC)NC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000854069851 879497370 /nfs/dbraw/zinc/49/73/70/879497370.db2.gz DUNBVWGPIGDOTQ-HNNXBMFYSA-N 1 2 376.863 3.689 20 30 GHEDLO COc1ccc([C@H](CO)[N@H+](C)CC(=O)/C=C2\N(C)c3ccccc3C2(C)C)cc1 ZINC000112623531 880052206 /nfs/dbraw/zinc/05/22/06/880052206.db2.gz XGTZVDJMLXONLT-MQXJPVLKSA-N 1 2 394.515 3.541 20 30 GHEDLO COc1ccc([C@H](CO)[N@@H+](C)CC(=O)/C=C2\N(C)c3ccccc3C2(C)C)cc1 ZINC000112623531 880052219 /nfs/dbraw/zinc/05/22/19/880052219.db2.gz XGTZVDJMLXONLT-MQXJPVLKSA-N 1 2 394.515 3.541 20 30 GHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cc(C#N)ccc1Cl ZINC000286075704 912559651 /nfs/dbraw/zinc/55/96/51/912559651.db2.gz MBUODOGOOLZORF-UHFFFAOYSA-N 1 2 382.895 3.985 20 30 GHEDLO CC[C@@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2cc(C#N)ccc2Br)C1=O ZINC001275192472 912574508 /nfs/dbraw/zinc/57/45/08/912574508.db2.gz QGCBDMKCWZFSGZ-AUUYWEPGSA-N 1 2 390.325 3.686 20 30 GHEDLO CC[C@@H](C)N1CC[C@]2(CCC[N@H+]2Cc2cc(C#N)ccc2Br)C1=O ZINC001275192472 912574524 /nfs/dbraw/zinc/57/45/24/912574524.db2.gz QGCBDMKCWZFSGZ-AUUYWEPGSA-N 1 2 390.325 3.686 20 30 GHEDLO C=CC[C@]1(C(=O)OCc2cccc3[nH+]ccn32)CCCN1C(=O)OC(C)(C)C ZINC000791835559 880741602 /nfs/dbraw/zinc/74/16/02/880741602.db2.gz JDCRBYWRFLUEPN-OAQYLSRUSA-N 1 2 385.464 3.723 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)c1C ZINC000186932094 881028182 /nfs/dbraw/zinc/02/81/82/881028182.db2.gz SFJATPWPSVRONG-UHFFFAOYSA-N 1 2 384.495 3.682 20 30 GHEDLO C[C@@H]1C(=O)N(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)[C@H]1c1ccccc1 ZINC000795713079 912639313 /nfs/dbraw/zinc/63/93/13/912639313.db2.gz BDPMUWHSNFNZEG-KSFYIVLOSA-N 1 2 393.462 3.718 20 30 GHEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000119948115 881223035 /nfs/dbraw/zinc/22/30/35/881223035.db2.gz KZZCNQIZVPTSIP-UHFFFAOYSA-N 1 2 390.512 3.962 20 30 GHEDLO CN(C(=O)C[N@H+](C)Cc1ccc(Br)c(F)c1)C1(C#N)CCCCC1 ZINC000494240106 881321993 /nfs/dbraw/zinc/32/19/93/881321993.db2.gz BZVWPROFOMRMLF-UHFFFAOYSA-N 1 2 396.304 3.705 20 30 GHEDLO CN(C(=O)C[N@@H+](C)Cc1ccc(Br)c(F)c1)C1(C#N)CCCCC1 ZINC000494240106 881322013 /nfs/dbraw/zinc/32/20/13/881322013.db2.gz BZVWPROFOMRMLF-UHFFFAOYSA-N 1 2 396.304 3.705 20 30 GHEDLO N#Cc1ccccc1OC1CCC(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000609557444 883340230 /nfs/dbraw/zinc/34/02/30/883340230.db2.gz KLFZIXNZWBHSPA-VIQWUECVSA-N 1 2 393.491 3.561 20 30 GHEDLO C[C@H](CCCC(F)(F)F)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000494804976 883825571 /nfs/dbraw/zinc/82/55/71/883825571.db2.gz OODVSSXSSWLRTD-OAHLLOKOSA-N 1 2 382.430 3.507 20 30 GHEDLO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(Br)cc1C#N ZINC000805745898 884019467 /nfs/dbraw/zinc/01/94/67/884019467.db2.gz KONCSTHIMMKPTA-LBPRGKRZSA-N 1 2 382.302 3.666 20 30 GHEDLO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(Br)cc1C#N ZINC000805745898 884019481 /nfs/dbraw/zinc/01/94/81/884019481.db2.gz KONCSTHIMMKPTA-LBPRGKRZSA-N 1 2 382.302 3.666 20 30 GHEDLO N#Cc1ccc(OC(F)F)c(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000102802610 884465886 /nfs/dbraw/zinc/46/58/86/884465886.db2.gz SKCJAJTUPPMLEA-UHFFFAOYSA-N 1 2 397.385 3.726 20 30 GHEDLO COC(=O)c1cc(CO[NH+]=Cc2ccc(N3CCCC3)c([N+](=O)[O-])c2)cs1 ZINC000842017860 884544460 /nfs/dbraw/zinc/54/44/60/884544460.db2.gz TXIBAOMAHBUUQN-UHFFFAOYSA-N 1 2 389.433 3.594 20 30 GHEDLO CC(C)CC1(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)CCOCC1 ZINC001183842493 912845878 /nfs/dbraw/zinc/84/58/78/912845878.db2.gz UZHJIMNQGUKLJC-OAQYLSRUSA-N 1 2 383.536 3.624 20 30 GHEDLO CC(C)CC1(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)CCOCC1 ZINC001183842493 912845903 /nfs/dbraw/zinc/84/59/03/912845903.db2.gz UZHJIMNQGUKLJC-OAQYLSRUSA-N 1 2 383.536 3.624 20 30 GHEDLO COc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N)CC2 ZINC001183842006 912846072 /nfs/dbraw/zinc/84/60/72/912846072.db2.gz QMLQODQHZGHMMQ-GOTSBHOMSA-N 1 2 389.499 3.725 20 30 GHEDLO COc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N)CC2 ZINC001183842006 912846082 /nfs/dbraw/zinc/84/60/82/912846082.db2.gz QMLQODQHZGHMMQ-GOTSBHOMSA-N 1 2 389.499 3.725 20 30 GHEDLO COc1c(Br)cc(Br)cc1C[NH2+]CC(C)(C)C#N ZINC000168929840 884789024 /nfs/dbraw/zinc/78/90/24/884789024.db2.gz NNVMWJNUTVAUQG-UHFFFAOYSA-N 1 2 376.092 3.860 20 30 GHEDLO CCCCc1ccc(N2C(=O)C[C@@H]([N@H+](C)Cc3cccc(C#N)c3)C2=O)cc1 ZINC000914794574 884828969 /nfs/dbraw/zinc/82/89/69/884828969.db2.gz PRJRSAYNTHZRDJ-OAQYLSRUSA-N 1 2 375.472 3.665 20 30 GHEDLO CCCCc1ccc(N2C(=O)C[C@@H]([N@@H+](C)Cc3cccc(C#N)c3)C2=O)cc1 ZINC000914794574 884828986 /nfs/dbraw/zinc/82/89/86/884828986.db2.gz PRJRSAYNTHZRDJ-OAQYLSRUSA-N 1 2 375.472 3.665 20 30 GHEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000556486055 885120744 /nfs/dbraw/zinc/12/07/44/885120744.db2.gz OZFSZNZYXOOOJX-QFIPXVFZSA-N 1 2 388.471 3.523 20 30 GHEDLO C=CC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccc(OC)cc1 ZINC000532483322 885807184 /nfs/dbraw/zinc/80/71/84/885807184.db2.gz AXWPXUYYPKTILK-UHFFFAOYSA-N 1 2 389.839 3.884 20 30 GHEDLO C=CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccc(OC)cc1 ZINC000532483322 885807196 /nfs/dbraw/zinc/80/71/96/885807196.db2.gz AXWPXUYYPKTILK-UHFFFAOYSA-N 1 2 389.839 3.884 20 30 GHEDLO N#Cc1ccc(-c2nnc(C[N@@H+](Cc3cccs3)C[C@H]3CCCO3)o2)cc1 ZINC000173501947 886890953 /nfs/dbraw/zinc/89/09/53/886890953.db2.gz USXZMVMRCYEELQ-QGZVFWFLSA-N 1 2 380.473 3.851 20 30 GHEDLO N#Cc1ccc(-c2nnc(C[N@H+](Cc3cccs3)C[C@H]3CCCO3)o2)cc1 ZINC000173501947 886890957 /nfs/dbraw/zinc/89/09/57/886890957.db2.gz USXZMVMRCYEELQ-QGZVFWFLSA-N 1 2 380.473 3.851 20 30 GHEDLO N#CCc1cccc2c1CC[N@@H+](CN1C[C@@H](c3cc(F)c(F)c(F)c3)CC1=O)C2 ZINC000863335551 887038317 /nfs/dbraw/zinc/03/83/17/887038317.db2.gz HOIHHWXTHOLQSS-KRWDZBQOSA-N 1 2 399.416 3.502 20 30 GHEDLO N#CCc1cccc2c1CC[N@H+](CN1C[C@@H](c3cc(F)c(F)c(F)c3)CC1=O)C2 ZINC000863335551 887038332 /nfs/dbraw/zinc/03/83/32/887038332.db2.gz HOIHHWXTHOLQSS-KRWDZBQOSA-N 1 2 399.416 3.502 20 30 GHEDLO COCCCN[NH+]=CC1=C(N2CCOCC2)/C(=C\c2ccc(Cl)cc2)CC1 ZINC000794539685 887243174 /nfs/dbraw/zinc/24/31/74/887243174.db2.gz LEOMLBNVVFCXDO-NOAMSPPTSA-N 1 2 389.927 3.715 20 30 GHEDLO C#CCOc1ccccc1-c1noc([C@@H](c2ccccc2)[NH+]2CCSCC2)n1 ZINC000809395353 887395493 /nfs/dbraw/zinc/39/54/93/887395493.db2.gz KLKWOTGJPCVEEL-HXUWFJFHSA-N 1 2 391.496 3.887 20 30 GHEDLO COCC[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccc(C#N)cc1 ZINC000153328354 887650028 /nfs/dbraw/zinc/65/00/28/887650028.db2.gz XNIOLYDPHTUWMP-UHFFFAOYSA-N 1 2 392.415 3.770 20 30 GHEDLO COCC[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccc(C#N)cc1 ZINC000153328354 887650031 /nfs/dbraw/zinc/65/00/31/887650031.db2.gz XNIOLYDPHTUWMP-UHFFFAOYSA-N 1 2 392.415 3.770 20 30 GHEDLO C#C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccc(Cl)cc1F ZINC000809699856 887681607 /nfs/dbraw/zinc/68/16/07/887681607.db2.gz TYARJZHHBPAYQK-LJQANCHMSA-N 1 2 376.834 3.919 20 30 GHEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2ccccc2I)s1 ZINC000794707112 887912484 /nfs/dbraw/zinc/91/24/84/887912484.db2.gz JXOLXPNRZXZJEN-FPLPWBNLSA-N 1 2 398.269 3.705 20 30 GHEDLO CSCc1ccc(CN2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])cc1 ZINC000794711876 887961021 /nfs/dbraw/zinc/96/10/21/887961021.db2.gz FICJXODKPKLHKC-UHFFFAOYSA-N 1 2 392.528 3.709 20 30 GHEDLO CC1(C#N)CC[NH+]([C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)CC1 ZINC000543717951 888293291 /nfs/dbraw/zinc/29/32/91/888293291.db2.gz FGMKRAXVOBSOKP-FQEVSTJZSA-N 1 2 389.455 3.736 20 30 GHEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCc3c(F)cc(Br)cc3C2)cc1 ZINC000763240537 888381302 /nfs/dbraw/zinc/38/13/02/888381302.db2.gz KOJHCVVSIGGKKV-GOSISDBHSA-N 1 2 375.241 3.552 20 30 GHEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCc3c(F)cc(Br)cc3C2)cc1 ZINC000763240537 888381319 /nfs/dbraw/zinc/38/13/19/888381319.db2.gz KOJHCVVSIGGKKV-GOSISDBHSA-N 1 2 375.241 3.552 20 30 GHEDLO C[C@H]1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)C[C@@H]1n1cc[nH+]c1 ZINC000287328622 913265561 /nfs/dbraw/zinc/26/55/61/913265561.db2.gz VRROXFNKGQZOQX-LRDDRELGSA-N 1 2 388.269 3.632 20 30 GHEDLO C=CCSc1ccccc1C(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC001132373972 888729439 /nfs/dbraw/zinc/72/94/39/888729439.db2.gz GCPDLUPIVWFOIY-FQEVSTJZSA-N 1 2 396.556 3.904 20 30 GHEDLO C=CCSc1ccccc1C(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC001132373972 888729450 /nfs/dbraw/zinc/72/94/50/888729450.db2.gz GCPDLUPIVWFOIY-FQEVSTJZSA-N 1 2 396.556 3.904 20 30 GHEDLO C[C@H]([NH2+]C1CCN(C(=O)CCc2ccccc2)CC1)c1cccc(C#N)c1O ZINC000866245875 888797351 /nfs/dbraw/zinc/79/73/51/888797351.db2.gz GWLQUVYYUPVVMK-KRWDZBQOSA-N 1 2 377.488 3.538 20 30 GHEDLO C[C@H]([NH2+][C@H](CCO)c1ccccc1Br)c1cccc(C#N)c1O ZINC000866335098 888835326 /nfs/dbraw/zinc/83/53/26/888835326.db2.gz DNECHLPBQYINOI-YVEFUNNKSA-N 1 2 375.266 3.801 20 30 GHEDLO C[C@H](Cc1ccccc1Cl)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000916644657 889276522 /nfs/dbraw/zinc/27/65/22/889276522.db2.gz WFNYLKJUOJFOTE-QGZVFWFLSA-N 1 2 396.922 3.670 20 30 GHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000532922430 889336366 /nfs/dbraw/zinc/33/63/66/889336366.db2.gz YTNDEMIIHGEAGQ-QFIPXVFZSA-N 1 2 378.472 3.823 20 30 GHEDLO COc1ccc(C[NH+]2CCN(Cc3csc(C(C)(C)C)n3)CC2)cc1C#N ZINC000533079748 889705929 /nfs/dbraw/zinc/70/59/29/889705929.db2.gz VZXOCIARFUOPGU-UHFFFAOYSA-N 1 2 384.549 3.639 20 30 GHEDLO C[C@@H](C#N)C[N@H+](CCC(=O)Nc1ccccc1C(=O)c1ccccc1)C1CC1 ZINC000533138303 889849178 /nfs/dbraw/zinc/84/91/78/889849178.db2.gz ZJRXPTVOSBMBMK-KRWDZBQOSA-N 1 2 375.472 3.870 20 30 GHEDLO C[C@@H](C#N)C[N@@H+](CCC(=O)Nc1ccccc1C(=O)c1ccccc1)C1CC1 ZINC000533138303 889849192 /nfs/dbraw/zinc/84/91/92/889849192.db2.gz ZJRXPTVOSBMBMK-KRWDZBQOSA-N 1 2 375.472 3.870 20 30 GHEDLO C=CCC1(COC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)CCOCC1 ZINC000870810266 890518565 /nfs/dbraw/zinc/51/85/65/890518565.db2.gz NWFHAARVHMKHCO-UHFFFAOYSA-N 1 2 378.538 3.580 20 30 GHEDLO CN(CC(C)(C)C#N)C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000497323338 890853140 /nfs/dbraw/zinc/85/31/40/890853140.db2.gz XUGVHAABCGTXOC-INIZCTEOSA-N 1 2 378.314 3.594 20 30 GHEDLO C#C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccc(F)cc1 ZINC000812895992 891111560 /nfs/dbraw/zinc/11/15/60/891111560.db2.gz SFIZCWZRBAWKRY-ZCNNSNEGSA-N 1 2 387.405 3.523 20 30 GHEDLO C#C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccc(F)cc1 ZINC000812895992 891111564 /nfs/dbraw/zinc/11/15/64/891111564.db2.gz SFIZCWZRBAWKRY-ZCNNSNEGSA-N 1 2 387.405 3.523 20 30 GHEDLO C#C[C@H](NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(F)cc1 ZINC000812934091 891141893 /nfs/dbraw/zinc/14/18/93/891141893.db2.gz QTDHDGRBMZSOAP-PMACEKPBSA-N 1 2 376.435 3.517 20 30 GHEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000497490932 891697410 /nfs/dbraw/zinc/69/74/10/891697410.db2.gz YUDUJFWQKOQFCT-BTYIYWSLSA-N 1 2 389.927 3.678 20 30 GHEDLO O=C(c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N1CCn2c[nH+]cc2C1 ZINC000615039106 891812123 /nfs/dbraw/zinc/81/21/23/891812123.db2.gz DQJJTKXUNLBIFP-UHFFFAOYSA-N 1 2 395.278 3.829 20 30 GHEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)N[C@](CC)(c2ccccc2)C1=O ZINC000917457953 892029743 /nfs/dbraw/zinc/02/97/43/892029743.db2.gz OPODSVPNQDEFMK-HSZRJFAPSA-N 1 2 390.487 3.585 20 30 GHEDLO CCC[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)N[C@](CC)(c2ccccc2)C1=O ZINC000917457953 892029763 /nfs/dbraw/zinc/02/97/63/892029763.db2.gz OPODSVPNQDEFMK-HSZRJFAPSA-N 1 2 390.487 3.585 20 30 GHEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2cscc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000497723032 892266927 /nfs/dbraw/zinc/26/69/27/892266927.db2.gz QCRNGRHXKUBNDW-IAGOWNOFSA-N 1 2 377.872 3.978 20 30 GHEDLO CC[N@H+]1CC[C@@H](NC(=O)c2cscc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000497723032 892266945 /nfs/dbraw/zinc/26/69/45/892266945.db2.gz QCRNGRHXKUBNDW-IAGOWNOFSA-N 1 2 377.872 3.978 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1Br)[N@H+](C)Cc1cc(C#N)cs1 ZINC000933779305 893213184 /nfs/dbraw/zinc/21/31/84/893213184.db2.gz XKDZPHNKCNFARM-LLVKDONJSA-N 1 2 378.295 3.841 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1Br)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933779305 893213201 /nfs/dbraw/zinc/21/32/01/893213201.db2.gz XKDZPHNKCNFARM-LLVKDONJSA-N 1 2 378.295 3.841 20 30 GHEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000459432879 893521932 /nfs/dbraw/zinc/52/19/32/893521932.db2.gz HJAHFJDQWXOISA-UHFFFAOYSA-N 1 2 380.423 3.633 20 30 GHEDLO COCC[N@H+](Cc1coc(-c2ccccc2OC)n1)Cc1ccc(C#N)cc1 ZINC000878009796 893942854 /nfs/dbraw/zinc/94/28/54/893942854.db2.gz CAVKRHUZIJCJKT-UHFFFAOYSA-N 1 2 377.444 3.870 20 30 GHEDLO COCC[N@@H+](Cc1coc(-c2ccccc2OC)n1)Cc1ccc(C#N)cc1 ZINC000878009796 893942860 /nfs/dbraw/zinc/94/28/60/893942860.db2.gz CAVKRHUZIJCJKT-UHFFFAOYSA-N 1 2 377.444 3.870 20 30 GHEDLO C=CCC(C)(C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000816409515 894790761 /nfs/dbraw/zinc/79/07/61/894790761.db2.gz RKDXXFQOXBXEAU-UHFFFAOYSA-N 1 2 380.330 3.742 20 30 GHEDLO O=C(Cc1c[nH+]cn1Cc1ccccc1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000564419612 894959012 /nfs/dbraw/zinc/95/90/12/894959012.db2.gz KDUXAMGJJVICLW-UHFFFAOYSA-N 1 2 397.400 3.661 20 30 GHEDLO N#Cc1ccc(NC(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)cc1F ZINC000564429457 894974236 /nfs/dbraw/zinc/97/42/36/894974236.db2.gz VTXWUICPEGDQGT-OAHLLOKOSA-N 1 2 388.393 3.762 20 30 GHEDLO N#Cc1ccc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)cc1F ZINC000564429457 894974250 /nfs/dbraw/zinc/97/42/50/894974250.db2.gz VTXWUICPEGDQGT-OAHLLOKOSA-N 1 2 388.393 3.762 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH+]2CCC(C(C)(C)O)CC2)c1C#N ZINC000879627752 895182957 /nfs/dbraw/zinc/18/29/57/895182957.db2.gz REDDGRYEZYDCAW-UHFFFAOYSA-N 1 2 386.540 3.513 20 30 GHEDLO C[C@@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000565284021 895506594 /nfs/dbraw/zinc/50/65/94/895506594.db2.gz MXJCZEZUPAPVHX-OAHLLOKOSA-N 1 2 393.878 3.972 20 30 GHEDLO C[C@@H]1CN(c2cccc(Cl)c2)CC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000565284021 895506597 /nfs/dbraw/zinc/50/65/97/895506597.db2.gz MXJCZEZUPAPVHX-OAHLLOKOSA-N 1 2 393.878 3.972 20 30 GHEDLO C=C(Cl)CSc1nc(C)c(CC(=O)N(C)CCCn2cc[nH+]c2)s1 ZINC000819395280 896617959 /nfs/dbraw/zinc/61/79/59/896617959.db2.gz MEAVGIJDZNDMIT-UHFFFAOYSA-N 1 2 384.958 3.584 20 30 GHEDLO C=CC[N@@H+](CCc1ccco1)Cn1c(=O)oc2ccc(Br)cc21 ZINC000778588687 897183259 /nfs/dbraw/zinc/18/32/59/897183259.db2.gz JJQRZOJRXZLRHX-UHFFFAOYSA-N 1 2 377.238 3.638 20 30 GHEDLO C=CC[N@H+](CCc1ccco1)Cn1c(=O)oc2ccc(Br)cc21 ZINC000778588687 897183265 /nfs/dbraw/zinc/18/32/65/897183265.db2.gz JJQRZOJRXZLRHX-UHFFFAOYSA-N 1 2 377.238 3.638 20 30 GHEDLO N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@@H]3Cn3cc[nH+]c3)cc2)ccn1 ZINC000568070749 897569760 /nfs/dbraw/zinc/56/97/60/897569760.db2.gz OVSVAMATNBVNPM-GOSISDBHSA-N 1 2 388.431 3.639 20 30 GHEDLO N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@H]3Cn3cc[nH+]c3)cc2)ccn1 ZINC000568070750 897569835 /nfs/dbraw/zinc/56/98/35/897569835.db2.gz OVSVAMATNBVNPM-SFHVURJKSA-N 1 2 388.431 3.639 20 30 GHEDLO CC(C)CC1(C)CC[NH+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000289457164 914196516 /nfs/dbraw/zinc/19/65/16/914196516.db2.gz PTETUDBSRUEBBQ-KRWDZBQOSA-N 1 2 380.492 3.660 20 30 GHEDLO CC[C@H]1C[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CCCO1 ZINC000568587098 897959466 /nfs/dbraw/zinc/95/94/66/897959466.db2.gz MHDAUTVNTWTLNG-GJZGRUSLSA-N 1 2 375.538 3.717 20 30 GHEDLO CC[C@H]1C[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CCCO1 ZINC000568587098 897959474 /nfs/dbraw/zinc/95/94/74/897959474.db2.gz MHDAUTVNTWTLNG-GJZGRUSLSA-N 1 2 375.538 3.717 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](CNC(=O)CCC)C1 ZINC000101914903 897982038 /nfs/dbraw/zinc/98/20/38/897982038.db2.gz DNESISQBQCSYKG-QGZVFWFLSA-N 1 2 389.565 3.532 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)CCC)C1 ZINC000101914903 897982042 /nfs/dbraw/zinc/98/20/42/897982042.db2.gz DNESISQBQCSYKG-QGZVFWFLSA-N 1 2 389.565 3.532 20 30 GHEDLO Cc1nc(NCc2cccc(C(=O)OCCCC3(C#N)CCOCC3)c2)cc[nH+]1 ZINC000800199939 898733881 /nfs/dbraw/zinc/73/38/81/898733881.db2.gz WRZXQGWNWNAPRU-UHFFFAOYSA-N 1 2 394.475 3.655 20 30 GHEDLO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCC3(C2)Oc2ccccc2O3)cc1 ZINC000569703775 898897150 /nfs/dbraw/zinc/89/71/50/898897150.db2.gz CDJSTWJTJKIOIG-UHFFFAOYSA-N 1 2 375.346 3.810 20 30 GHEDLO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCC3(C2)Oc2ccccc2O3)cc1 ZINC000569703775 898897157 /nfs/dbraw/zinc/89/71/57/898897157.db2.gz CDJSTWJTJKIOIG-UHFFFAOYSA-N 1 2 375.346 3.810 20 30 GHEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1[C@@H]1CCc2c(Cl)cccc2C1 ZINC001171045792 899376589 /nfs/dbraw/zinc/37/65/89/899376589.db2.gz RQXPDXGZODUSBL-UZLBHIALSA-N 1 2 386.927 3.611 20 30 GHEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1[C@@H]1CCc2c(Cl)cccc2C1 ZINC001171045792 899376603 /nfs/dbraw/zinc/37/66/03/899376603.db2.gz RQXPDXGZODUSBL-UZLBHIALSA-N 1 2 386.927 3.611 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000570557689 899386702 /nfs/dbraw/zinc/38/67/02/899386702.db2.gz VKLXDRFQPRQMTE-QBIMZIAESA-N 1 2 379.476 3.854 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000570557689 899386712 /nfs/dbraw/zinc/38/67/12/899386712.db2.gz VKLXDRFQPRQMTE-QBIMZIAESA-N 1 2 379.476 3.854 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+](CCC)Cc2ccccc2)c1=S ZINC000134090395 899570537 /nfs/dbraw/zinc/57/05/37/899570537.db2.gz ZQPQMNBOWOAPMH-UHFFFAOYSA-N 1 2 380.521 3.927 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+](CCC)Cc2ccccc2)c1=S ZINC000134090395 899570544 /nfs/dbraw/zinc/57/05/44/899570544.db2.gz ZQPQMNBOWOAPMH-UHFFFAOYSA-N 1 2 380.521 3.927 20 30 GHEDLO CC(=O)c1ccc(N2CC[NH+](Cc3ccc(C4(C#N)CC4)cc3)CC2)c(F)c1 ZINC000824541584 899701565 /nfs/dbraw/zinc/70/15/65/899701565.db2.gz FEANWBNQMITGRL-UHFFFAOYSA-N 1 2 377.463 3.906 20 30 GHEDLO Cc1nsc(N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)c1C#N ZINC000571748509 899963838 /nfs/dbraw/zinc/96/38/38/899963838.db2.gz BQMLFAMBKYIATB-UHFFFAOYSA-N 1 2 382.411 3.544 20 30 GHEDLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)CCO1 ZINC000135289597 900216390 /nfs/dbraw/zinc/21/63/90/900216390.db2.gz XCXULZCLZRTWFD-QFBILLFUSA-N 1 2 387.524 3.602 20 30 GHEDLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CCO1 ZINC000135289597 900216397 /nfs/dbraw/zinc/21/63/97/900216397.db2.gz XCXULZCLZRTWFD-QFBILLFUSA-N 1 2 387.524 3.602 20 30 GHEDLO N#Cc1cccc(Cl)c1C[NH+]1CCC2(CC1)NC(=O)C[C@H]2c1ccccc1 ZINC001143723428 900442062 /nfs/dbraw/zinc/44/20/62/900442062.db2.gz FHWSCYJSUPZXCB-IBGZPJMESA-N 1 2 379.891 3.850 20 30 GHEDLO Cc1cccc(CO[C@H]2CO[C@@]3(CC[N@H+](Cc4c(Cl)cccc4C#N)C3)C2)n1 ZINC001143724212 900443982 /nfs/dbraw/zinc/44/39/82/900443982.db2.gz WTRWANYAVVOMQB-KNQAVFIVSA-N 1 2 397.906 3.865 20 30 GHEDLO Cc1cccc(CO[C@H]2CO[C@@]3(CC[N@@H+](Cc4c(Cl)cccc4C#N)C3)C2)n1 ZINC001143724212 900443986 /nfs/dbraw/zinc/44/39/86/900443986.db2.gz WTRWANYAVVOMQB-KNQAVFIVSA-N 1 2 397.906 3.865 20 30 GHEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3cc(F)c(OC)c(Cl)c3)C2)CC1 ZINC001143839926 900609658 /nfs/dbraw/zinc/60/96/58/900609658.db2.gz SBVHNVABAGRZDG-UHFFFAOYSA-N 1 2 382.863 3.708 20 30 GHEDLO Cc1nc(C2([NH2+]CCC(=O)Nc3sc4c(c3C#N)CCCC4)CCCC2)no1 ZINC000063511542 900952163 /nfs/dbraw/zinc/95/21/63/900952163.db2.gz OQOQGIXMTMPWRQ-UHFFFAOYSA-N 1 2 399.520 3.578 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886684460 901225271 /nfs/dbraw/zinc/22/52/71/901225271.db2.gz LWLBDUANKPTYEU-DLBZAZTESA-N 1 2 395.532 3.689 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886684460 901225278 /nfs/dbraw/zinc/22/52/78/901225278.db2.gz LWLBDUANKPTYEU-DLBZAZTESA-N 1 2 395.532 3.689 20 30 GHEDLO COC(=O)c1ccc(OC(F)F)c(NC(=[NH2+])c2ccc3cc(O)ccc3c2)c1 ZINC001171185405 902212338 /nfs/dbraw/zinc/21/23/38/902212338.db2.gz WQHPJMBPKKYHFI-UHFFFAOYSA-N 1 2 386.354 3.970 20 30 GHEDLO CN(C)C(=O)C[C@H]([NH2+]Cc1ccc(Br)cc1C#N)c1ccccc1 ZINC000576734089 902223356 /nfs/dbraw/zinc/22/33/56/902223356.db2.gz PFPZDGNWTOIXTR-SFHVURJKSA-N 1 2 386.293 3.630 20 30 GHEDLO N#Cc1cccc(OCCCCC(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000264774056 903372439 /nfs/dbraw/zinc/37/24/39/903372439.db2.gz PPHYHZUKMHUCQN-UHFFFAOYSA-N 1 2 388.471 3.669 20 30 GHEDLO COc1cc(C[NH2+]C(C)(C)c2nc(C)no2)ccc1OCc1cccc(C#N)c1 ZINC000578177014 903589905 /nfs/dbraw/zinc/58/99/05/903589905.db2.gz RFCOFJQXSUQWOR-UHFFFAOYSA-N 1 2 392.459 3.862 20 30 GHEDLO CCCCCCCCOC(=O)C[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173424114 906460222 /nfs/dbraw/zinc/46/02/22/906460222.db2.gz CUCILRKRSMEWAS-UHFFFAOYSA-N 1 2 399.535 3.656 20 30 GHEDLO N#Cc1cc(F)c(Nc2ccc(OCC[NH+]3CCOCC3)cc2)c(Cl)c1 ZINC001174434351 907027357 /nfs/dbraw/zinc/02/73/57/907027357.db2.gz JPXQANNFGXIQLN-UHFFFAOYSA-N 1 2 375.831 3.805 20 30 GHEDLO CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3ccccc3C#N)c[nH+]2)CC1 ZINC001174453591 907059389 /nfs/dbraw/zinc/05/93/89/907059389.db2.gz BISHPHHKTKUUPC-UHFFFAOYSA-N 1 2 379.464 3.754 20 30 GHEDLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000366069677 921301157 /nfs/dbraw/zinc/30/11/57/921301157.db2.gz XRSIFCQLZTXFBG-HNAYVOBHSA-N 1 2 397.548 3.898 20 30 GHEDLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000366069677 921301158 /nfs/dbraw/zinc/30/11/58/921301158.db2.gz XRSIFCQLZTXFBG-HNAYVOBHSA-N 1 2 397.548 3.898 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1C#N ZINC000773428140 907291952 /nfs/dbraw/zinc/29/19/52/907291952.db2.gz IZKHERLSTJKUSQ-WIYYLYMNSA-N 1 2 376.460 3.734 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1C#N ZINC000773428140 907291972 /nfs/dbraw/zinc/29/19/72/907291972.db2.gz IZKHERLSTJKUSQ-WIYYLYMNSA-N 1 2 376.460 3.734 20 30 GHEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccccc2O[C@@H](C)C#N)CC1 ZINC000184125364 907521322 /nfs/dbraw/zinc/52/13/22/907521322.db2.gz FAASDOJHRSENME-JKSUJKDBSA-N 1 2 384.505 3.950 20 30 GHEDLO Cc1noc(Nc2ccc(C[NH+]3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1C#N ZINC001176039544 907897124 /nfs/dbraw/zinc/89/71/24/907897124.db2.gz FKXPXTWIYXWMAG-UHFFFAOYSA-N 1 2 397.479 3.651 20 30 GHEDLO C#Cc1cccnc1Nc1ccc(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001176040532 907899560 /nfs/dbraw/zinc/89/95/60/907899560.db2.gz SEPUPVKFMSLHQZ-UHFFFAOYSA-N 1 2 392.503 3.859 20 30 GHEDLO CC[C@]1(CO)CCC[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000187584134 908109964 /nfs/dbraw/zinc/10/99/64/908109964.db2.gz HVYATUWEYJRFIC-JXFKEZNVSA-N 1 2 375.538 3.504 20 30 GHEDLO CC[C@]1(CO)CCC[N@@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000187584134 908109969 /nfs/dbraw/zinc/10/99/69/908109969.db2.gz HVYATUWEYJRFIC-JXFKEZNVSA-N 1 2 375.538 3.504 20 30 GHEDLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N[C@H](c1ccc(F)cc1)C(F)(F)F ZINC000635849496 909362370 /nfs/dbraw/zinc/36/23/70/909362370.db2.gz NZEGVGRAIYTKAK-WCQYABFASA-N 1 2 383.267 3.936 20 30 GHEDLO C#CC[N@@H+](Cc1c2cc(F)ccc2n(C)c1C(=O)OC)Cc1ccc(F)cc1 ZINC001180023491 909895485 /nfs/dbraw/zinc/89/54/85/909895485.db2.gz CIYBUDSSPAEKFX-UHFFFAOYSA-N 1 2 382.410 3.879 20 30 GHEDLO C#CC[N@H+](Cc1c2cc(F)ccc2n(C)c1C(=O)OC)Cc1ccc(F)cc1 ZINC001180023491 909895494 /nfs/dbraw/zinc/89/54/94/909895494.db2.gz CIYBUDSSPAEKFX-UHFFFAOYSA-N 1 2 382.410 3.879 20 30 GHEDLO C#Cc1ccc(C[NH+]2CCN(C(=O)[C@H](C)Oc3ccc(C)cc3Cl)CC2)cc1 ZINC001180099005 909953818 /nfs/dbraw/zinc/95/38/18/909953818.db2.gz RILLHLLMCGNPMV-SFHVURJKSA-N 1 2 396.918 3.741 20 30 GHEDLO N#Cc1cccc(NC(=O)N2CCC(F)(F)[C@]3(CCN(c4cccc[nH+]4)C3)C2)c1 ZINC001202781994 910219864 /nfs/dbraw/zinc/21/98/64/910219864.db2.gz BBWAVWFQIGPBLM-FQEVSTJZSA-N 1 2 397.429 3.723 20 30 GHEDLO C#CC(C)(C)C(=O)Nc1c2c(sc1C(=O)OC)C[N@H+](Cc1ccccc1)CC2 ZINC001182636740 911912724 /nfs/dbraw/zinc/91/27/24/911912724.db2.gz UJRHUVRBNUEKRU-UHFFFAOYSA-N 1 2 396.512 3.691 20 30 GHEDLO C#CC(C)(C)C(=O)Nc1c2c(sc1C(=O)OC)C[N@@H+](Cc1ccccc1)CC2 ZINC001182636740 911912734 /nfs/dbraw/zinc/91/27/34/911912734.db2.gz UJRHUVRBNUEKRU-UHFFFAOYSA-N 1 2 396.512 3.691 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(Cc3nc([C@H]4C[C@@H]4C)no3)CC2)c1C ZINC000649782980 916407448 /nfs/dbraw/zinc/40/74/48/916407448.db2.gz VIJXGRIBPQQXFQ-KXBFYZLASA-N 1 2 396.535 3.935 20 30 GHEDLO N#Cc1cccc(C(=O)NC2C[NH+](C(c3ccccc3)c3ccccc3)C2)c1F ZINC001190558096 917408413 /nfs/dbraw/zinc/40/84/13/917408413.db2.gz ZBJQTFPIZMNOJM-UHFFFAOYSA-N 1 2 385.442 3.901 20 30 GHEDLO CCCCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(C#N)cc2Br)C1=O ZINC001275979543 920648165 /nfs/dbraw/zinc/64/81/65/920648165.db2.gz IUNVCKXQHVPYKX-LJQANCHMSA-N 1 2 390.325 3.688 20 30 GHEDLO CCCCN1CC[C@]2(CCC[N@H+]2Cc2ccc(C#N)cc2Br)C1=O ZINC001275979543 920648171 /nfs/dbraw/zinc/64/81/71/920648171.db2.gz IUNVCKXQHVPYKX-LJQANCHMSA-N 1 2 390.325 3.688 20 30 GHEDLO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367058364 921899008 /nfs/dbraw/zinc/89/90/08/921899008.db2.gz SLOAQECXACOKQP-QGZVFWFLSA-N 1 2 396.922 3.812 20 30 GHEDLO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367067616 921903145 /nfs/dbraw/zinc/90/31/45/921903145.db2.gz SJVKNCWHXRUQCW-MRXNPFEDSA-N 1 2 382.895 3.928 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@H]([NH2+]CC1(C#N)CC1)c1ccccc1O2 ZINC000903106073 922776835 /nfs/dbraw/zinc/77/68/35/922776835.db2.gz MINTVXOBCXYVBY-HTAPYJJXSA-N 1 2 383.492 3.783 20 30 GHEDLO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000369752005 923598782 /nfs/dbraw/zinc/59/87/82/923598782.db2.gz CGQCMEKTRLWBGB-NHCUHLMSSA-N 1 2 389.503 3.663 20 30 GHEDLO CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C/c2c[nH+]c3cccc(C)n23)cc1 ZINC000749000122 923980303 /nfs/dbraw/zinc/98/03/03/923980303.db2.gz UMSRYHOLWNMTBQ-SDNWHVSQSA-N 1 2 397.500 3.569 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[NH2+][C@H](C)c1nnc2n1CCCCC2 ZINC000680831702 925625903 /nfs/dbraw/zinc/62/59/03/925625903.db2.gz JRDMCIDWZDYPLA-OAHLLOKOSA-N 1 2 385.537 3.572 20 30 GHEDLO C[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1nc(-c2ccc(Cl)cc2)no1 ZINC000372815311 925725179 /nfs/dbraw/zinc/72/51/79/925725179.db2.gz ODLVTNGNLSPHEU-GFCCVEGCSA-N 1 2 378.823 3.760 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+](Cc3csc(C(F)(F)F)n3)CC2)C1=O ZINC001276120548 925732729 /nfs/dbraw/zinc/73/27/29/925732729.db2.gz BDUNNZKJBHHPFJ-KRWDZBQOSA-N 1 2 387.471 3.943 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+](Cc3csc(C(F)(F)F)n3)CC2)C1=O ZINC001276120548 925732736 /nfs/dbraw/zinc/73/27/36/925732736.db2.gz BDUNNZKJBHHPFJ-KRWDZBQOSA-N 1 2 387.471 3.943 20 30 GHEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000411134770 926108518 /nfs/dbraw/zinc/10/85/18/926108518.db2.gz KFIOLKNAYQIYOY-INIZCTEOSA-N 1 2 383.517 3.890 20 30 GHEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000411134770 926108523 /nfs/dbraw/zinc/10/85/23/926108523.db2.gz KFIOLKNAYQIYOY-INIZCTEOSA-N 1 2 383.517 3.890 20 30 GHEDLO COc1ccc(C[N@H+](CCC2(C#N)CCCCC2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000411140041 926124420 /nfs/dbraw/zinc/12/44/20/926124420.db2.gz ZHQUKLANNSCRAU-IBGZPJMESA-N 1 2 390.549 3.548 20 30 GHEDLO COc1ccc(C[N@@H+](CCC2(C#N)CCCCC2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000411140041 926124436 /nfs/dbraw/zinc/12/44/36/926124436.db2.gz ZHQUKLANNSCRAU-IBGZPJMESA-N 1 2 390.549 3.548 20 30 GHEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000411194337 926182965 /nfs/dbraw/zinc/18/29/65/926182965.db2.gz PYBBLKVGKMTAET-SFHVURJKSA-N 1 2 392.459 3.918 20 30 GHEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000411194337 926182967 /nfs/dbraw/zinc/18/29/67/926182967.db2.gz PYBBLKVGKMTAET-SFHVURJKSA-N 1 2 392.459 3.918 20 30 GHEDLO Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCC[N@@H+]1CCCSCC#N ZINC000374821168 927562196 /nfs/dbraw/zinc/56/21/96/927562196.db2.gz BSQJSVVBRYQSGV-HXUWFJFHSA-N 1 2 384.549 3.568 20 30 GHEDLO Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCC[N@H+]1CCCSCC#N ZINC000374821168 927562205 /nfs/dbraw/zinc/56/22/05/927562205.db2.gz BSQJSVVBRYQSGV-HXUWFJFHSA-N 1 2 384.549 3.568 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2cc(Cl)cc(OC)c2OC)C1=O ZINC001276220179 927890022 /nfs/dbraw/zinc/89/00/22/927890022.db2.gz IDUCUBUMCARVQP-HXUWFJFHSA-N 1 2 378.900 3.500 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+]2Cc2cc(Cl)cc(OC)c2OC)C1=O ZINC001276220179 927890044 /nfs/dbraw/zinc/89/00/44/927890044.db2.gz IDUCUBUMCARVQP-HXUWFJFHSA-N 1 2 378.900 3.500 20 30 GHEDLO Cn1cc([C@@H]([NH2+]Cc2cc(C#N)ccc2Br)c2ccccc2)cn1 ZINC000375426593 928290756 /nfs/dbraw/zinc/29/07/56/928290756.db2.gz JGYUUOITUJBYLR-IBGZPJMESA-N 1 2 381.277 3.933 20 30 GHEDLO CNC(=O)C[N@H+](Cc1ccc(CC#N)cc1)Cc1cccc(C(F)(F)F)c1 ZINC000544069733 928763782 /nfs/dbraw/zinc/76/37/82/928763782.db2.gz NQZJFHSDOJNHNY-UHFFFAOYSA-N 1 2 375.394 3.520 20 30 GHEDLO CNC(=O)C[N@@H+](Cc1ccc(CC#N)cc1)Cc1cccc(C(F)(F)F)c1 ZINC000544069733 928763789 /nfs/dbraw/zinc/76/37/89/928763789.db2.gz NQZJFHSDOJNHNY-UHFFFAOYSA-N 1 2 375.394 3.520 20 30 GHEDLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000752332812 928769175 /nfs/dbraw/zinc/76/91/75/928769175.db2.gz QHZUJZVQRGQZDF-OAHLLOKOSA-N 1 2 381.423 3.601 20 30 GHEDLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000752332812 928769185 /nfs/dbraw/zinc/76/91/85/928769185.db2.gz QHZUJZVQRGQZDF-OAHLLOKOSA-N 1 2 381.423 3.601 20 30 GHEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000467197242 928812194 /nfs/dbraw/zinc/81/21/94/928812194.db2.gz TYQTYBSHBBJLID-CVDCTZTESA-N 1 2 395.551 3.672 20 30 GHEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000467197242 928812199 /nfs/dbraw/zinc/81/21/99/928812199.db2.gz TYQTYBSHBBJLID-CVDCTZTESA-N 1 2 395.551 3.672 20 30 GHEDLO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1 ZINC000753928479 929596722 /nfs/dbraw/zinc/59/67/22/929596722.db2.gz KPERAMJBZOSECS-IYBDPMFKSA-N 1 2 391.306 3.681 20 30 GHEDLO CCCC[C@H](ON=C(C)C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000780982198 930660941 /nfs/dbraw/zinc/66/09/41/930660941.db2.gz ZVVSOLBRECPNGI-CEXWTWQISA-N 1 2 381.467 3.797 20 30 GHEDLO CCCC[C@H](ON=C(C)C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000780982198 930660944 /nfs/dbraw/zinc/66/09/44/930660944.db2.gz ZVVSOLBRECPNGI-CEXWTWQISA-N 1 2 381.467 3.797 20 30 GHEDLO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2ncc(Br)s2)ccc1OC ZINC000782362361 931191224 /nfs/dbraw/zinc/19/12/24/931191224.db2.gz UQBNAACQTCOWPL-LBPRGKRZSA-N 1 2 396.310 3.885 20 30 GHEDLO C[C@H]1COCCN1c1ccc([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC000796927484 932111003 /nfs/dbraw/zinc/11/10/03/932111003.db2.gz VRVXRRABDHFHHJ-SFHVURJKSA-N 1 2 376.504 3.864 20 30 GHEDLO CC[C@H]([NH2+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)c1cccc(C#N)c1O ZINC000926413390 932168279 /nfs/dbraw/zinc/16/82/79/932168279.db2.gz OJWOPHJBRUSVGC-KRWDZBQOSA-N 1 2 386.883 3.591 20 30 GHEDLO C[C@H](CC(C)(C)C#N)[N@@H+]1CCc2sc(CNC(=O)OC(C)(C)C)nc2C1 ZINC000926847882 932325268 /nfs/dbraw/zinc/32/52/68/932325268.db2.gz ORROSBSNDNNHND-CYBMUJFWSA-N 1 2 378.542 3.854 20 30 GHEDLO C[C@H](CC(C)(C)C#N)[N@H+]1CCc2sc(CNC(=O)OC(C)(C)C)nc2C1 ZINC000926847882 932325277 /nfs/dbraw/zinc/32/52/77/932325277.db2.gz ORROSBSNDNNHND-CYBMUJFWSA-N 1 2 378.542 3.854 20 30 GHEDLO Cc1cc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)ccc1Br ZINC000798274183 932588161 /nfs/dbraw/zinc/58/81/61/932588161.db2.gz WGQGWAOODNARBO-GOEBONIOSA-N 1 2 394.313 3.606 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@](C)(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)C1 ZINC000798945180 932830201 /nfs/dbraw/zinc/83/02/01/932830201.db2.gz IIUZLULQSNJQSH-SIKLNZKXSA-N 1 2 385.508 3.579 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@](C)(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)C1 ZINC000798945180 932830206 /nfs/dbraw/zinc/83/02/06/932830206.db2.gz IIUZLULQSNJQSH-SIKLNZKXSA-N 1 2 385.508 3.579 20 30 GHEDLO NC(=[NH+]OCCCCC1CCOCC1)c1ccc(OCc2cccnc2)cc1 ZINC000799175280 932898145 /nfs/dbraw/zinc/89/81/45/932898145.db2.gz UJLHSWKQDOZALY-UHFFFAOYSA-N 1 2 383.492 3.894 20 30 GHEDLO Cc1nc(N2CCOCC2)sc1C=[NH+]Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001115948962 933255049 /nfs/dbraw/zinc/25/50/49/933255049.db2.gz HPUOOETXCWNXMO-UHFFFAOYSA-N 1 2 395.410 3.625 20 30 GHEDLO Cc1cc(N2CCOCC2)ccc1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000560544128 933329882 /nfs/dbraw/zinc/32/98/82/933329882.db2.gz FHRNUKANJDMQBH-UHFFFAOYSA-N 1 2 376.504 3.784 20 30 GHEDLO Cc1nc(N2CCCCC2)sc1C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC001116449536 933565460 /nfs/dbraw/zinc/56/54/60/933565460.db2.gz ORHADZXDIFYYJL-IBGZPJMESA-N 1 2 382.533 3.887 20 30 GHEDLO Cc1nc(N2CCCCC2)sc1C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC001116449536 933565469 /nfs/dbraw/zinc/56/54/69/933565469.db2.gz ORHADZXDIFYYJL-IBGZPJMESA-N 1 2 382.533 3.887 20 30 GHEDLO N#Cc1cnc2c(F)c(F)c(F)cc2c1NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000561135194 933903713 /nfs/dbraw/zinc/90/37/13/933903713.db2.gz AFXKSGBIQXOMPV-UHFFFAOYSA-N 1 2 393.372 3.803 20 30 GHEDLO C=CCOc1ccc(CC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)cc1 ZINC001117794226 934028101 /nfs/dbraw/zinc/02/81/01/934028101.db2.gz MHPJJFCSIRWLNJ-UHFFFAOYSA-N 1 2 393.531 3.645 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@H]1c1ccc(COC)o1 ZINC001121509030 934678479 /nfs/dbraw/zinc/67/84/79/934678479.db2.gz BNFOOUAZHLNSRX-QZTJIDSGSA-N 1 2 385.512 3.702 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@H]1c1ccc(COC)o1 ZINC001121509030 934678487 /nfs/dbraw/zinc/67/84/87/934678487.db2.gz BNFOOUAZHLNSRX-QZTJIDSGSA-N 1 2 385.512 3.702 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@H]1c1ccc(COC)o1 ZINC001121509032 934678879 /nfs/dbraw/zinc/67/88/79/934678879.db2.gz BNFOOUAZHLNSRX-ZWKOTPCHSA-N 1 2 385.512 3.702 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@H]1c1ccc(COC)o1 ZINC001121509032 934678884 /nfs/dbraw/zinc/67/88/84/934678884.db2.gz BNFOOUAZHLNSRX-ZWKOTPCHSA-N 1 2 385.512 3.702 20 30 GHEDLO CC(C)C[C@H](c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccccc1)n1cc[nH+]c1 ZINC001122064325 934812069 /nfs/dbraw/zinc/81/20/69/934812069.db2.gz WHWKESUARUORLR-AZUAARDMSA-N 1 2 391.523 3.754 20 30 GHEDLO C[C@@H](c1nnc(-c2ccccc2F)s1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000562363107 934837241 /nfs/dbraw/zinc/83/72/41/934837241.db2.gz BITCAMBQYQIPEL-DZGCQCFKSA-N 1 2 395.463 3.825 20 30 GHEDLO C[C@@H](c1nnc(-c2ccccc2F)s1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000562363107 934837244 /nfs/dbraw/zinc/83/72/44/934837244.db2.gz BITCAMBQYQIPEL-DZGCQCFKSA-N 1 2 395.463 3.825 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC[C@H](Cc2nccs2)C1 ZINC001122440595 934870571 /nfs/dbraw/zinc/87/05/71/934870571.db2.gz FMRCMCGXQDKAAU-SJORKVTESA-N 1 2 386.569 3.537 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC[C@H](Cc2nccs2)C1 ZINC001122440595 934870576 /nfs/dbraw/zinc/87/05/76/934870576.db2.gz FMRCMCGXQDKAAU-SJORKVTESA-N 1 2 386.569 3.537 20 30 GHEDLO CN(c1ccc(C#N)cc1)c1ccc(C[NH+]2CC(N3CCC(F)(F)C3)C2)cc1 ZINC001137902382 935856351 /nfs/dbraw/zinc/85/63/51/935856351.db2.gz AAFVVVHSNDEQHE-UHFFFAOYSA-N 1 2 382.458 3.851 20 30 GHEDLO COc1ccc(Br)c(C[NH+]2CCN(c3cccc(C#N)c3)CC2)c1 ZINC001137910891 935863945 /nfs/dbraw/zinc/86/39/45/935863945.db2.gz VEDOSOKHMFRCBI-UHFFFAOYSA-N 1 2 386.293 3.652 20 30 GHEDLO C[C@@H](CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)Cc1cccc(F)c1 ZINC000468030119 1015166785 /nfs/dbraw/zinc/16/67/85/1015166785.db2.gz NTVGPONBMCYRGR-GOSISDBHSA-N 1 2 379.479 3.610 20 30 GHEDLO Cc1cccc(C)c1[C@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000545499050 1015950254 /nfs/dbraw/zinc/95/02/54/1015950254.db2.gz LTRGAMYMLOQWBO-IBGZPJMESA-N 1 2 376.504 3.764 20 30 GHEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1Cc2cc(OC)ccc2C[C@H]1c1ccccc1 ZINC000469036428 1016359411 /nfs/dbraw/zinc/35/94/11/1016359411.db2.gz RDOVTQGJVBRFDU-MBSDFSHPSA-N 1 2 391.515 3.803 20 30 GHEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1Cc2cc(OC)ccc2C[C@H]1c1ccccc1 ZINC000469036428 1016359424 /nfs/dbraw/zinc/35/94/24/1016359424.db2.gz RDOVTQGJVBRFDU-MBSDFSHPSA-N 1 2 391.515 3.803 20 30 GHEDLO CC[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)c1cccc(C#N)c1O ZINC000924677198 1017004678 /nfs/dbraw/zinc/00/46/78/1017004678.db2.gz KBYLWASHVPMHLE-QINHECLXSA-N 1 2 380.492 3.513 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC001226909004 1032190995 /nfs/dbraw/zinc/19/09/95/1032190995.db2.gz NYIHXPGSQBPAHD-CQSZACIVSA-N 1 2 375.787 3.912 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC001226909004 1032190997 /nfs/dbraw/zinc/19/09/97/1032190997.db2.gz NYIHXPGSQBPAHD-CQSZACIVSA-N 1 2 375.787 3.912 20 30 GHEDLO C=CCc1c(O)ccc(C(C)=O)c1O[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001227120571 1032278863 /nfs/dbraw/zinc/27/88/63/1032278863.db2.gz OBCLNHHNGSEZBU-IBGZPJMESA-N 1 2 376.456 3.848 20 30 GHEDLO C=CCc1c(O)ccc(C(C)=O)c1O[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001227120571 1032278869 /nfs/dbraw/zinc/27/88/69/1032278869.db2.gz OBCLNHHNGSEZBU-IBGZPJMESA-N 1 2 376.456 3.848 20 30 GHEDLO C=CCc1cc(OC)cc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3F)C2)c1O ZINC000777571906 1017134521 /nfs/dbraw/zinc/13/45/21/1017134521.db2.gz YENUSSIUCFFKGZ-FQEVSTJZSA-N 1 2 375.415 3.981 20 30 GHEDLO C=CCc1cc(OC)cc(C[N@H+]2CCO[C@H](c3ccc(F)cc3F)C2)c1O ZINC000777571906 1017134531 /nfs/dbraw/zinc/13/45/31/1017134531.db2.gz YENUSSIUCFFKGZ-FQEVSTJZSA-N 1 2 375.415 3.981 20 30 GHEDLO Fc1cc(C[NH+]2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)ccn1 ZINC000932941526 1018769618 /nfs/dbraw/zinc/76/96/18/1018769618.db2.gz VWAUKQYKNWYQAI-RKDXNWHRSA-N 1 2 378.238 3.824 20 30 GHEDLO C=CCCc1ccccc1NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000563793078 1018960245 /nfs/dbraw/zinc/96/02/45/1018960245.db2.gz XZWSMUPFUISJIC-OAQYLSRUSA-N 1 2 394.519 3.775 20 30 GHEDLO C=CCCc1ccccc1NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000563793078 1018960250 /nfs/dbraw/zinc/96/02/50/1018960250.db2.gz XZWSMUPFUISJIC-OAQYLSRUSA-N 1 2 394.519 3.775 20 30 GHEDLO C[C@H](c1nnc(SCc2ccc(C#N)cn2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000563820475 1018965108 /nfs/dbraw/zinc/96/51/08/1018965108.db2.gz WBKVZPWEGQFIFG-CYBMUJFWSA-N 1 2 382.468 3.588 20 30 GHEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC000570947106 1019656819 /nfs/dbraw/zinc/65/68/19/1019656819.db2.gz PLKZZQLCYIYUGA-OAQYLSRUSA-N 1 2 390.572 3.506 20 30 GHEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccccc3NC(=O)c3ccc(Cl)cc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228412618 1032925717 /nfs/dbraw/zinc/92/57/17/1032925717.db2.gz VRDIBWAQJBDATE-MXHDYAKMSA-N 1 2 384.863 3.584 20 30 GHEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccccc3NC(=O)c3ccc(Cl)cc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228412618 1032925719 /nfs/dbraw/zinc/92/57/19/1032925719.db2.gz VRDIBWAQJBDATE-MXHDYAKMSA-N 1 2 384.863 3.584 20 30 GHEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1ccc(Br)cc1N)CCO2 ZINC001140224612 1021188635 /nfs/dbraw/zinc/18/86/35/1021188635.db2.gz ZPAVNUCUDCRKAQ-VQIMIIECSA-N 1 2 395.341 3.605 20 30 GHEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1ccc(Br)cc1N)CCO2 ZINC001140224612 1021188647 /nfs/dbraw/zinc/18/86/47/1021188647.db2.gz ZPAVNUCUDCRKAQ-VQIMIIECSA-N 1 2 395.341 3.605 20 30 GHEDLO C=CCc1cc(OC)cc(C[N@@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)c1O ZINC000754726162 1022860062 /nfs/dbraw/zinc/86/00/62/1022860062.db2.gz DYZUUNZYYHPGKK-HXUWFJFHSA-N 1 2 375.415 3.981 20 30 GHEDLO C=CCc1cc(OC)cc(C[N@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)c1O ZINC000754726162 1022860069 /nfs/dbraw/zinc/86/00/69/1022860069.db2.gz DYZUUNZYYHPGKK-HXUWFJFHSA-N 1 2 375.415 3.981 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+]2Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141107053 1023515495 /nfs/dbraw/zinc/51/54/95/1023515495.db2.gz OADNSQSJKKDZSB-SFHVURJKSA-N 1 2 396.944 3.831 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+]2Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141107053 1023515496 /nfs/dbraw/zinc/51/54/96/1023515496.db2.gz OADNSQSJKKDZSB-SFHVURJKSA-N 1 2 396.944 3.831 20 30 GHEDLO CCOc1cccc(N2CC[NH+](Cc3sc(N)c(C#N)c3Cl)CC2)c1 ZINC001141112799 1023529078 /nfs/dbraw/zinc/52/90/78/1023529078.db2.gz MXANXDFJPCJQGE-UHFFFAOYSA-N 1 2 376.913 3.576 20 30 GHEDLO COc1cc(N2CC[NH+](Cc3sc(N)c(C#N)c3Cl)CC2)ccc1Cl ZINC001141113424 1023529550 /nfs/dbraw/zinc/52/95/50/1023529550.db2.gz YIYDDFJAMUHLBX-UHFFFAOYSA-N 1 2 397.331 3.840 20 30 GHEDLO C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1sc(N)c(C#N)c1Cl ZINC001141113660 1023530985 /nfs/dbraw/zinc/53/09/85/1023530985.db2.gz NUONRPHNZQWFNF-CMPLNLGQSA-N 1 2 384.933 3.733 20 30 GHEDLO C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1sc(N)c(C#N)c1Cl ZINC001141113660 1023530989 /nfs/dbraw/zinc/53/09/89/1023530989.db2.gz NUONRPHNZQWFNF-CMPLNLGQSA-N 1 2 384.933 3.733 20 30 GHEDLO C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1sc(N)c(C#N)c1Cl ZINC001141114536 1023531831 /nfs/dbraw/zinc/53/18/31/1023531831.db2.gz SHCWKGRBYWUNBC-GHMZBOCLSA-N 1 2 384.933 3.733 20 30 GHEDLO C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1sc(N)c(C#N)c1Cl ZINC001141114536 1023531835 /nfs/dbraw/zinc/53/18/35/1023531835.db2.gz SHCWKGRBYWUNBC-GHMZBOCLSA-N 1 2 384.933 3.733 20 30 GHEDLO COc1ccc(C[NH+]2CCN(c3cccc(C#N)c3)CC2)cc1Br ZINC001138296201 1024574460 /nfs/dbraw/zinc/57/44/60/1024574460.db2.gz CMBSMKHDOGNTBU-UHFFFAOYSA-N 1 2 386.293 3.652 20 30 GHEDLO C=CCOCc1ncn2c1C[N@H+](Cc1ccc(OC(C)C)c(OC)c1)CCC2 ZINC001138572211 1025045971 /nfs/dbraw/zinc/04/59/71/1025045971.db2.gz MOHIXIMJWHXCBF-UHFFFAOYSA-N 1 2 385.508 3.787 20 30 GHEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1ccc(OC(C)C)c(OC)c1)CCC2 ZINC001138572211 1025045982 /nfs/dbraw/zinc/04/59/82/1025045982.db2.gz MOHIXIMJWHXCBF-UHFFFAOYSA-N 1 2 385.508 3.787 20 30 GHEDLO C=C(C)COc1ccccc1C[N@@H+]1Cc2nn(CC3CC3)cc2[C@@H](COC)C1 ZINC001138661818 1025181119 /nfs/dbraw/zinc/18/11/19/1025181119.db2.gz HBSWEERESLPTHO-HXUWFJFHSA-N 1 2 381.520 3.994 20 30 GHEDLO C=C(C)COc1ccccc1C[N@H+]1Cc2nn(CC3CC3)cc2[C@@H](COC)C1 ZINC001138661818 1025181124 /nfs/dbraw/zinc/18/11/24/1025181124.db2.gz HBSWEERESLPTHO-HXUWFJFHSA-N 1 2 381.520 3.994 20 30 GHEDLO C[C@@H](NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)c1cccc(C#N)c1 ZINC001229098603 1033278117 /nfs/dbraw/zinc/27/81/17/1033278117.db2.gz KVDJNOSWPUUZSA-CQSZACIVSA-N 1 2 379.851 3.958 20 30 GHEDLO N#Cc1ccc2ncnc(O[C@H]3CCC[N@@H+](Cc4cnc(Cl)s4)C3)c2c1 ZINC001229106329 1033282604 /nfs/dbraw/zinc/28/26/04/1033282604.db2.gz FFAZXDSPSUSDJF-ZDUSSCGKSA-N 1 2 385.880 3.655 20 30 GHEDLO N#Cc1ccc2ncnc(O[C@H]3CCC[N@H+](Cc4cnc(Cl)s4)C3)c2c1 ZINC001229106329 1033282611 /nfs/dbraw/zinc/28/26/11/1033282611.db2.gz FFAZXDSPSUSDJF-ZDUSSCGKSA-N 1 2 385.880 3.655 20 30 GHEDLO COC(=O)CCCCCCNc1cc(/C=N/[S@](=O)C(C)(C)C)cc(C)[nH+]1 ZINC001162429695 1025745733 /nfs/dbraw/zinc/74/57/33/1025745733.db2.gz QPZMUBLUIRCXNZ-DSSLFPTQSA-N 1 2 381.542 3.807 20 30 GHEDLO CCn1cc2c(n1)C[N@@H+](Cc1ccc(-c3cc(C#N)ccn3)cc1)C[C@@H]2COC ZINC001139402368 1026273385 /nfs/dbraw/zinc/27/33/85/1026273385.db2.gz PAQSIOAPEHOTMK-HXUWFJFHSA-N 1 2 387.487 3.582 20 30 GHEDLO CCn1cc2c(n1)C[N@H+](Cc1ccc(-c3cc(C#N)ccn3)cc1)C[C@@H]2COC ZINC001139402368 1026273388 /nfs/dbraw/zinc/27/33/88/1026273388.db2.gz PAQSIOAPEHOTMK-HXUWFJFHSA-N 1 2 387.487 3.582 20 30 GHEDLO COc1cc(C#N)cc(NC(=[NH2+])c2ccc(C(F)(F)F)cc2)c1OC(C)=O ZINC001163680586 1026281013 /nfs/dbraw/zinc/28/10/13/1026281013.db2.gz ROQUDAXMVGAQQY-UHFFFAOYSA-N 1 2 377.322 3.548 20 30 GHEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1C[C@H](c2cccc(C(F)(F)F)c2)CC1=O ZINC000839957016 1026374394 /nfs/dbraw/zinc/37/43/94/1026374394.db2.gz BBEGPUWEXRGOQC-GOSISDBHSA-N 1 2 387.405 3.982 20 30 GHEDLO C[N@H+](Cc1cccc(C#N)c1)CN1C[C@H](c2cccc(C(F)(F)F)c2)CC1=O ZINC000839957016 1026374408 /nfs/dbraw/zinc/37/44/08/1026374408.db2.gz BBEGPUWEXRGOQC-GOSISDBHSA-N 1 2 387.405 3.982 20 30 GHEDLO CCOC[C@H]1C[N@H+](Cc2c[nH]c3c2cccc3C#N)Cc2ncn(CC3CC3)c21 ZINC001139703297 1026548730 /nfs/dbraw/zinc/54/87/30/1026548730.db2.gz LVJPJPDHSPDVRM-LJQANCHMSA-N 1 2 389.503 3.782 20 30 GHEDLO CCOC[C@H]1C[N@@H+](Cc2c[nH]c3c2cccc3C#N)Cc2ncn(CC3CC3)c21 ZINC001139703297 1026548738 /nfs/dbraw/zinc/54/87/38/1026548738.db2.gz LVJPJPDHSPDVRM-LJQANCHMSA-N 1 2 389.503 3.782 20 30 GHEDLO N#CCOc1cccc(C[NH2+]Cc2c(Br)cccc2[N+](=O)[O-])c1 ZINC001461196483 1069437277 /nfs/dbraw/zinc/43/72/77/1069437277.db2.gz GJAGSZACRUEFFB-UHFFFAOYSA-N 1 2 376.210 3.549 20 30 GHEDLO COc1ccccc1Cc1cn(CC(=O)Nc2ccccc2SCC#N)c[nH+]1 ZINC001166964800 1027169143 /nfs/dbraw/zinc/16/91/43/1027169143.db2.gz YTXXHUHCDONYQH-UHFFFAOYSA-N 1 2 392.484 3.737 20 30 GHEDLO CC(=O)N1CCCCC12CC[NH+](Cc1ccc(Br)cc1C#N)CC2 ZINC001141813524 1027347904 /nfs/dbraw/zinc/34/79/04/1027347904.db2.gz RFBFLJGXDWDZPS-UHFFFAOYSA-N 1 2 390.325 3.688 20 30 GHEDLO Cc1cc(Nc2cc[nH+]c3ccc(I)cc23)cnc1C#N ZINC001210203000 1027384366 /nfs/dbraw/zinc/38/43/66/1027384366.db2.gz YAOSNLMFFABDII-UHFFFAOYSA-N 1 2 386.196 3.580 20 30 GHEDLO N#Cc1ccc(Br)cc1C[N@@H+]1CCc2ncnc(C3CC3)c2CC1 ZINC001141900780 1027621544 /nfs/dbraw/zinc/62/15/44/1027621544.db2.gz GDTGSIVMJAXDOW-UHFFFAOYSA-N 1 2 383.293 3.589 20 30 GHEDLO N#Cc1ccc(Br)cc1C[N@H+]1CCc2ncnc(C3CC3)c2CC1 ZINC001141900780 1027621552 /nfs/dbraw/zinc/62/15/52/1027621552.db2.gz GDTGSIVMJAXDOW-UHFFFAOYSA-N 1 2 383.293 3.589 20 30 GHEDLO N#Cc1c(F)c(F)cc(Nc2ccc(OCC[NH+]3CCOCC3)cc2F)c1F ZINC001213488956 1028223325 /nfs/dbraw/zinc/22/33/25/1028223325.db2.gz HWCTWNKFXHCSTI-UHFFFAOYSA-N 1 2 395.356 3.569 20 30 GHEDLO C#C[C@@H]1CCC[N@@H+](Cc2cc3ccccc3n2S(=O)(=O)c2ccccc2)C1 ZINC001142572668 1029080994 /nfs/dbraw/zinc/08/09/94/1029080994.db2.gz WLWWYFWFQXPDPW-GOSISDBHSA-N 1 2 378.497 3.724 20 30 GHEDLO C#C[C@@H]1CCC[N@H+](Cc2cc3ccccc3n2S(=O)(=O)c2ccccc2)C1 ZINC001142572668 1029081011 /nfs/dbraw/zinc/08/10/11/1029081011.db2.gz WLWWYFWFQXPDPW-GOSISDBHSA-N 1 2 378.497 3.724 20 30 GHEDLO COc1ccc(C[NH+]2CCOCC2)cc1Nc1ccc2nc(C#N)sc2c1 ZINC001215550703 1029276066 /nfs/dbraw/zinc/27/60/66/1029276066.db2.gz TUMVJVSCECLKTC-UHFFFAOYSA-N 1 2 380.473 3.752 20 30 GHEDLO COc1cc(COc2cccc([NH+]=C(NO)c3ccccc3N)c2)cc(OC)c1 ZINC001216495660 1029662369 /nfs/dbraw/zinc/66/23/69/1029662369.db2.gz GMOXRCJNTQRDQP-UHFFFAOYSA-N 1 2 393.443 3.922 20 30 GHEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1ccccc1Sc1ccccc1C#N ZINC001154236948 1031998915 /nfs/dbraw/zinc/99/89/15/1031998915.db2.gz VMPFYUCSQCQXDT-SFHVURJKSA-N 1 2 395.528 3.550 20 30 GHEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1ccccc1Sc1ccccc1C#N ZINC001154236948 1031998918 /nfs/dbraw/zinc/99/89/18/1031998918.db2.gz VMPFYUCSQCQXDT-SFHVURJKSA-N 1 2 395.528 3.550 20 30 GHEDLO Cc1nc(OC[C@H]2COc3ccccc3O2)c(C#N)cc1-c1ccc2[nH+]ccn2c1 ZINC001229765243 1033696278 /nfs/dbraw/zinc/69/62/78/1033696278.db2.gz CMQGBELPJCOVIG-GOSISDBHSA-N 1 2 398.422 3.795 20 30 GHEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)nc3Cl)C2)nc1 ZINC001206042440 1033698487 /nfs/dbraw/zinc/69/84/87/1033698487.db2.gz XYHAUANAWZFBAM-ZDUSSCGKSA-N 1 2 382.773 3.674 20 30 GHEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)nc3Cl)C2)nc1 ZINC001206042440 1033698490 /nfs/dbraw/zinc/69/84/90/1033698490.db2.gz XYHAUANAWZFBAM-ZDUSSCGKSA-N 1 2 382.773 3.674 20 30 GHEDLO CN(C)c1ccc(/N=N/c2ccccn2)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c1 ZINC001231328899 1034522630 /nfs/dbraw/zinc/52/26/30/1034522630.db2.gz IISHXPWNHJKBNE-PHARRPQNSA-N 1 2 379.464 3.554 20 30 GHEDLO CN(C)c1ccc(/N=N/c2ccccn2)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c1 ZINC001231328899 1034522639 /nfs/dbraw/zinc/52/26/39/1034522639.db2.gz IISHXPWNHJKBNE-PHARRPQNSA-N 1 2 379.464 3.554 20 30 GHEDLO CCOC(=O)n1nc2c(c1Nc1nc(Cl)c(Cl)cc1C#N)C[NH2+]C2(C)C ZINC001159659609 1034706012 /nfs/dbraw/zinc/70/60/12/1034706012.db2.gz KETFLOQMKQHXRJ-UHFFFAOYSA-N 1 2 395.250 3.543 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(Br)c(O)c1 ZINC001277550749 1034834611 /nfs/dbraw/zinc/83/46/11/1034834611.db2.gz FNQMTHKAHUESAR-LJQANCHMSA-N 1 2 393.325 3.688 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(Br)c(O)c1 ZINC001277550749 1034834620 /nfs/dbraw/zinc/83/46/20/1034834620.db2.gz FNQMTHKAHUESAR-LJQANCHMSA-N 1 2 393.325 3.688 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[N@H+](CCCc2cccc(C#N)c2)C[C@H]1C(F)(F)F ZINC001208860678 1035063555 /nfs/dbraw/zinc/06/35/55/1035063555.db2.gz RUNQBZZWQFYCKP-KRWDZBQOSA-N 1 2 397.441 3.974 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[N@@H+](CCCc2cccc(C#N)c2)C[C@H]1C(F)(F)F ZINC001208860678 1035063565 /nfs/dbraw/zinc/06/35/65/1035063565.db2.gz RUNQBZZWQFYCKP-KRWDZBQOSA-N 1 2 397.441 3.974 20 30 GHEDLO C[C@@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[NH2+]CC(F)(F)C1 ZINC001160949120 1035102131 /nfs/dbraw/zinc/10/21/31/1035102131.db2.gz RCYYSNBZPWNFTN-OXJNMPFZSA-N 1 2 383.442 3.893 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[NH+](Cc2ccccc2Nc2ccc(C#N)nc2)CC1 ZINC001209677779 1035352741 /nfs/dbraw/zinc/35/27/41/1035352741.db2.gz HDEOORPNZZHLGN-UHFFFAOYSA-N 1 2 393.491 3.750 20 30 GHEDLO N#Cc1cc(Br)ccc1-c1noc(CCc2cn3ccccc3[nH+]2)n1 ZINC001248121621 1035545015 /nfs/dbraw/zinc/54/50/15/1035545015.db2.gz CLRRWFRNLGDPBO-UHFFFAOYSA-N 1 2 394.232 3.804 20 30 GHEDLO N#Cc1cc(Br)ccc1-c1noc([C@@H]2Cc3ccccc3C[NH2+]2)n1 ZINC001248332698 1035760226 /nfs/dbraw/zinc/76/02/26/1035760226.db2.gz YTSLWFKZALTVKF-INIZCTEOSA-N 1 2 381.233 3.758 20 30 GHEDLO N#Cc1cc(-c2cc(C[NH+]3CCOCC3)ccc2F)ccc1OC1CCOCC1 ZINC001245306776 1036866256 /nfs/dbraw/zinc/86/62/56/1036866256.db2.gz HYVRTGBAEVBUOP-UHFFFAOYSA-N 1 2 396.462 3.754 20 30 GHEDLO Cc1ccc(-c2nn(C)cc2C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)o1 ZINC001462165470 1070047178 /nfs/dbraw/zinc/04/71/78/1070047178.db2.gz KUNVXYUPIKXZOM-UHFFFAOYSA-N 1 2 395.894 3.836 20 30 GHEDLO CCN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+](Cc1cc(C#N)ccc1O)CC2 ZINC001232676287 1038471904 /nfs/dbraw/zinc/47/19/04/1038471904.db2.gz HHQYMKLUCLPZPA-OAQYLSRUSA-N 1 2 389.499 3.634 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@@]2(CCC[N@H+](Cc3cc(C#N)ccc3O)C2)C1 ZINC001232674952 1038472099 /nfs/dbraw/zinc/47/20/99/1038472099.db2.gz HSYONKMGPAUXHJ-JOCHJYFZSA-N 1 2 385.508 3.877 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@@]2(CCC[N@@H+](Cc3cc(C#N)ccc3O)C2)C1 ZINC001232674952 1038472105 /nfs/dbraw/zinc/47/21/05/1038472105.db2.gz HSYONKMGPAUXHJ-JOCHJYFZSA-N 1 2 385.508 3.877 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C[C@H]1C(F)(F)F ZINC001232845212 1038596185 /nfs/dbraw/zinc/59/61/85/1038596185.db2.gz PDZSDYMZPADMIA-ZIAGYGMSSA-N 1 2 389.443 3.897 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C[C@H]1C(F)(F)F ZINC001232845212 1038596198 /nfs/dbraw/zinc/59/61/98/1038596198.db2.gz PDZSDYMZPADMIA-ZIAGYGMSSA-N 1 2 389.443 3.897 20 30 GHEDLO N#Cc1cc(C[NH+]2CCC(O)(c3ccccc3F)CC2)ccc1Br ZINC001232895901 1038690638 /nfs/dbraw/zinc/69/06/38/1038690638.db2.gz WLEZOSOBIXUWGB-UHFFFAOYSA-N 1 2 389.268 3.943 20 30 GHEDLO N#Cc1cccc(C[NH+]2CCN(c3cccc(OCc4ccccc4)c3)CC2)n1 ZINC001232927271 1038713324 /nfs/dbraw/zinc/71/33/24/1038713324.db2.gz WPYXKZZTMNFMJZ-UHFFFAOYSA-N 1 2 384.483 3.854 20 30 GHEDLO C=C[C@@](C)(O)CNc1[nH+]cnc2c1c(-c1cc3cc(O)ccc3[nH]1)nn2C(C)C ZINC001252545560 1039028288 /nfs/dbraw/zinc/02/82/88/1039028288.db2.gz KPWCTLGBGDLTQF-OAQYLSRUSA-N 1 2 392.463 3.610 20 30 GHEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3c(F)c(Br)ccc3C(F)(F)F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234194991 1039916832 /nfs/dbraw/zinc/91/68/32/1039916832.db2.gz UTJZZUPXPZWKEY-JSEJZBOZSA-N 1 2 396.178 3.598 20 30 GHEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3c(F)c(Br)ccc3C(F)(F)F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234194991 1039916837 /nfs/dbraw/zinc/91/68/37/1039916837.db2.gz UTJZZUPXPZWKEY-JSEJZBOZSA-N 1 2 396.178 3.598 20 30 GHEDLO C=CCCC(C)(C)CNC(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1 ZINC001234226190 1039928508 /nfs/dbraw/zinc/92/85/08/1039928508.db2.gz ONDIIVRSKANERY-HXUWFJFHSA-N 1 2 387.568 3.911 20 30 GHEDLO COc1cc(/C=C/C(C)=O)ccc1OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001234338873 1039974157 /nfs/dbraw/zinc/97/41/57/1039974157.db2.gz JWVVSVKWOVFNSH-MHNQQFQPSA-N 1 2 381.472 3.577 20 30 GHEDLO COc1cc(/C=C/C(C)=O)ccc1OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001234338873 1039974159 /nfs/dbraw/zinc/97/41/59/1039974159.db2.gz JWVVSVKWOVFNSH-MHNQQFQPSA-N 1 2 381.472 3.577 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCCC3(CN(Cc4ccc[nH]4)C3)C2)c1 ZINC001278812067 1040536540 /nfs/dbraw/zinc/53/65/40/1040536540.db2.gz HPDQUSYJSVDEHO-UHFFFAOYSA-N 1 2 399.336 3.747 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@H+]2CCCC3(CN(Cc4ccc[nH]4)C3)C2)c1 ZINC001278812067 1040536552 /nfs/dbraw/zinc/53/65/52/1040536552.db2.gz HPDQUSYJSVDEHO-UHFFFAOYSA-N 1 2 399.336 3.747 20 30 GHEDLO C=C[C@H]1C[C@]1([NH2+]C1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1)C(=O)OCC ZINC001254874007 1040618118 /nfs/dbraw/zinc/61/81/18/1040618118.db2.gz WGAHSTXYBIBGCX-PRDNQUGISA-N 1 2 392.540 3.654 20 30 GHEDLO N#Cc1cc(F)c(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)c(F)c1 ZINC001235654283 1041102356 /nfs/dbraw/zinc/10/23/56/1041102356.db2.gz NYAYMQSBLCAPHZ-UNMCSNQZSA-N 1 2 399.441 3.682 20 30 GHEDLO N#Cc1cc(F)c(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)c(F)c1 ZINC001235654283 1041102371 /nfs/dbraw/zinc/10/23/71/1041102371.db2.gz NYAYMQSBLCAPHZ-UNMCSNQZSA-N 1 2 399.441 3.682 20 30 GHEDLO CN(C)c1ccc(Br)cc1C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC001236704018 1041843013 /nfs/dbraw/zinc/84/30/13/1041843013.db2.gz SXPYGFMPVYCSRC-UHFFFAOYSA-N 1 2 399.336 3.709 20 30 GHEDLO N#Cc1ccc(CN2CC[NH+](Cc3cccc(F)c3)CC2)cc1Br ZINC001236863412 1041932938 /nfs/dbraw/zinc/93/29/38/1041932938.db2.gz KCKIDUKAWRFMGV-UHFFFAOYSA-N 1 2 388.284 3.778 20 30 GHEDLO C=CCOCc1ncn2c1C[N@H+](Cc1ccc(-n3ccnc3)c(Cl)c1)CCC2 ZINC001236908833 1041951545 /nfs/dbraw/zinc/95/15/45/1041951545.db2.gz UJPXYHZMJFEUKD-UHFFFAOYSA-N 1 2 397.910 3.831 20 30 GHEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1ccc(-n3ccnc3)c(Cl)c1)CCC2 ZINC001236908833 1041951548 /nfs/dbraw/zinc/95/15/48/1041951548.db2.gz UJPXYHZMJFEUKD-UHFFFAOYSA-N 1 2 397.910 3.831 20 30 GHEDLO CC[N@H+](CCC#N)Cc1cc(Br)cc(I)c1 ZINC001237074970 1042023105 /nfs/dbraw/zinc/02/31/05/1042023105.db2.gz HHZHYZGSHLKEMC-UHFFFAOYSA-N 1 2 393.066 3.789 20 30 GHEDLO CC[N@@H+](CCC#N)Cc1cc(Br)cc(I)c1 ZINC001237074970 1042023113 /nfs/dbraw/zinc/02/31/13/1042023113.db2.gz HHZHYZGSHLKEMC-UHFFFAOYSA-N 1 2 393.066 3.789 20 30 GHEDLO CCOC(=O)c1nc(C[N@@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)sc1C ZINC001237229303 1042097163 /nfs/dbraw/zinc/09/71/63/1042097163.db2.gz MGGLUJZGYONJDO-QGZVFWFLSA-N 1 2 385.489 3.543 20 30 GHEDLO CCOC(=O)c1nc(C[N@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)sc1C ZINC001237229303 1042097171 /nfs/dbraw/zinc/09/71/71/1042097171.db2.gz MGGLUJZGYONJDO-QGZVFWFLSA-N 1 2 385.489 3.543 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1c(Cl)c2ccccc2[nH]c1=O ZINC001237498240 1042236845 /nfs/dbraw/zinc/23/68/45/1042236845.db2.gz VDIAOFGHQMSCFF-GOSISDBHSA-N 1 2 398.894 3.629 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1c(Cl)c2ccccc2[nH]c1=O ZINC001237498240 1042236848 /nfs/dbraw/zinc/23/68/48/1042236848.db2.gz VDIAOFGHQMSCFF-GOSISDBHSA-N 1 2 398.894 3.629 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C#N)c(F)cc1F ZINC001237527689 1042251848 /nfs/dbraw/zinc/25/18/48/1042251848.db2.gz MSVKGXXQIHKLSO-CVEARBPZSA-N 1 2 377.435 3.810 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C#N)c(F)cc1F ZINC001237527689 1042251855 /nfs/dbraw/zinc/25/18/55/1042251855.db2.gz MSVKGXXQIHKLSO-CVEARBPZSA-N 1 2 377.435 3.810 20 30 GHEDLO Cn1c(C[N@@H+]2CCC[C@@H](Nc3ccc(C#N)cn3)C2)nc2ccc(Cl)cc21 ZINC001462598120 1070403583 /nfs/dbraw/zinc/40/35/83/1070403583.db2.gz WFBBRZMSCCJUFI-MRXNPFEDSA-N 1 2 380.883 3.570 20 30 GHEDLO Cn1c(C[N@H+]2CCC[C@@H](Nc3ccc(C#N)cn3)C2)nc2ccc(Cl)cc21 ZINC001462598120 1070403586 /nfs/dbraw/zinc/40/35/86/1070403586.db2.gz WFBBRZMSCCJUFI-MRXNPFEDSA-N 1 2 380.883 3.570 20 30 GHEDLO N#Cc1cc(C[N@H+]2Cc3cncn3C[C@@H](COc3cccnc3)C2)ccc1Cl ZINC001238192732 1042515697 /nfs/dbraw/zinc/51/56/97/1042515697.db2.gz WHVRDVRMTKORJL-KRWDZBQOSA-N 1 2 393.878 3.514 20 30 GHEDLO N#Cc1cc(C[N@@H+]2Cc3cncn3C[C@@H](COc3cccnc3)C2)ccc1Cl ZINC001238192732 1042515702 /nfs/dbraw/zinc/51/57/02/1042515702.db2.gz WHVRDVRMTKORJL-KRWDZBQOSA-N 1 2 393.878 3.514 20 30 GHEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3ccc(F)c(C(F)(F)F)c3F)CC2)nc1 ZINC001238250744 1042531772 /nfs/dbraw/zinc/53/17/72/1042531772.db2.gz SWSZQFSVXMODRE-UHFFFAOYSA-N 1 2 396.363 3.963 20 30 GHEDLO N#Cc1ccc(N2CCC[N@H+](Cc3ccc(F)c(C(F)(F)F)c3F)CC2)nc1 ZINC001238250744 1042531774 /nfs/dbraw/zinc/53/17/74/1042531774.db2.gz SWSZQFSVXMODRE-UHFFFAOYSA-N 1 2 396.363 3.963 20 30 GHEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2c(C)cc(F)cc2Br)C1 ZINC001238569633 1042643854 /nfs/dbraw/zinc/64/38/54/1042643854.db2.gz VNBWKKBZZBIDBY-AWEZNQCLSA-N 1 2 385.277 3.773 20 30 GHEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2c(C)cc(F)cc2Br)C1 ZINC001238569633 1042643856 /nfs/dbraw/zinc/64/38/56/1042643856.db2.gz VNBWKKBZZBIDBY-AWEZNQCLSA-N 1 2 385.277 3.773 20 30 GHEDLO CCc1cc(C[N@@H+]2CCC(F)(F)[C@H](NC(=O)OC(C)(C)C)C2)ccc1C#N ZINC001238768167 1042720360 /nfs/dbraw/zinc/72/03/60/1042720360.db2.gz GPQMVKBMZVCSTI-QGZVFWFLSA-N 1 2 379.451 3.855 20 30 GHEDLO CCc1cc(C[N@H+]2CCC(F)(F)[C@H](NC(=O)OC(C)(C)C)C2)ccc1C#N ZINC001238768167 1042720362 /nfs/dbraw/zinc/72/03/62/1042720362.db2.gz GPQMVKBMZVCSTI-QGZVFWFLSA-N 1 2 379.451 3.855 20 30 GHEDLO CN(C)/C=[NH+]/c1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C#N ZINC001240197121 1042907517 /nfs/dbraw/zinc/90/75/17/1042907517.db2.gz XUVOLGMZHWEWHP-XQNSMLJCSA-N 1 2 396.516 3.621 20 30 GHEDLO O/N=C/c1cc(-c2ccc(OCC[NH+]3CCOCC3)cc2)cc(C(F)(F)F)c1 ZINC001240451622 1042931138 /nfs/dbraw/zinc/93/11/38/1042931138.db2.gz QNKCYKSLIQLUOY-ZVHZXABRSA-N 1 2 394.393 3.892 20 30 GHEDLO N#CC1(c2ccccc2-c2ccc(OCC[NH+]3CCOCC3)cc2)CCOCC1 ZINC001240452476 1042931462 /nfs/dbraw/zinc/93/14/62/1042931462.db2.gz YMAVLQZIFDINGN-UHFFFAOYSA-N 1 2 392.499 3.636 20 30 GHEDLO C[C@@H](O)[C@H]([NH2+]C1CCC(c2ccc(C#N)cc2)CC1)C(=O)OCc1ccccc1 ZINC001257012505 1043799456 /nfs/dbraw/zinc/79/94/56/1043799456.db2.gz ILSOWADRTDAHTO-MTPJWFLBSA-N 1 2 392.499 3.667 20 30 GHEDLO O=C1C=C2C[N@H+](C3CCC(C4CCC5(CC4)OCCO5)CC3)CC[C@H]2S1 ZINC001257495219 1044020506 /nfs/dbraw/zinc/02/05/06/1044020506.db2.gz HNOHLKRNIAWXKS-XUJQIHCRSA-N 1 2 377.550 3.753 20 30 GHEDLO O=C1C=C2C[N@@H+](C3CCC(C4CCC5(CC4)OCCO5)CC3)CC[C@H]2S1 ZINC001257495219 1044020513 /nfs/dbraw/zinc/02/05/13/1044020513.db2.gz HNOHLKRNIAWXKS-XUJQIHCRSA-N 1 2 377.550 3.753 20 30 GHEDLO C=C[C@@H]1C[C@]1([NH2+][C@H]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1)C(=O)OCC ZINC001257801576 1044184341 /nfs/dbraw/zinc/18/43/41/1044184341.db2.gz XDABKMSXXUCMRI-XKPGHWPRSA-N 1 2 392.540 3.654 20 30 GHEDLO N#Cc1ccc(S(=O)(=O)Nc2ccccc2C[NH+]2CCCCC2)c(Cl)c1 ZINC001259112501 1044967086 /nfs/dbraw/zinc/96/70/86/1044967086.db2.gz OAUPLMHCCJWOKE-UHFFFAOYSA-N 1 2 389.908 3.998 20 30 GHEDLO C=CCC[C@@H](NC(=O)/C=C/C[NH+]1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC001295383381 1044994167 /nfs/dbraw/zinc/99/41/67/1044994167.db2.gz AUGSATLUOYGZIF-MJICGBHWSA-N 1 2 382.426 3.717 20 30 GHEDLO C=CCCN(OCc1ccccc1)C(=O)[C@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC001296464453 1045320046 /nfs/dbraw/zinc/32/00/46/1045320046.db2.gz ZLAYCDLUXGBPKH-JOCHJYFZSA-N 1 2 380.488 3.806 20 30 GHEDLO C=CCCN(OCc1ccccc1)C(=O)[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC001296464453 1045320049 /nfs/dbraw/zinc/32/00/49/1045320049.db2.gz ZLAYCDLUXGBPKH-JOCHJYFZSA-N 1 2 380.488 3.806 20 30 GHEDLO C#C[C@H]([NH2+]Cc1ccc(OCC(=O)OCC)cc1)c1ccc(Cl)cc1F ZINC001261181262 1045914201 /nfs/dbraw/zinc/91/42/01/1045914201.db2.gz SNMNQMAJCXOHCM-IBGZPJMESA-N 1 2 375.827 3.885 20 30 GHEDLO C=CCN(C)c1nnc(Cc2ccccc2F)n1CCCc1cccc(C)[nH+]1 ZINC001301299135 1046462313 /nfs/dbraw/zinc/46/23/13/1046462313.db2.gz CGDGSWJAEKGJGE-UHFFFAOYSA-N 1 2 379.483 3.966 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC[C@H]([C@H]2CCCO2)C1 ZINC001263304986 1046702376 /nfs/dbraw/zinc/70/23/76/1046702376.db2.gz OEYVPIGMQLGQDK-XUVXKRRUSA-N 1 2 398.555 3.692 20 30 GHEDLO C#CCN(C)c1nnc(-c2cccc(Cl)c2)n1CCCNc1cccc[nH+]1 ZINC001286364465 1048290275 /nfs/dbraw/zinc/29/02/75/1048290275.db2.gz CNVTYZZQFISXHG-UHFFFAOYSA-N 1 2 380.883 3.565 20 30 GHEDLO N#Cc1cnc(N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)c([N+](=O)[O-])c1 ZINC001306968164 1048984851 /nfs/dbraw/zinc/98/48/51/1048984851.db2.gz VQUJWOANKWOGBL-OAHLLOKOSA-N 1 2 389.818 3.730 20 30 GHEDLO N#Cc1cnc(N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)c([N+](=O)[O-])c1 ZINC001306968164 1048984852 /nfs/dbraw/zinc/98/48/52/1048984852.db2.gz VQUJWOANKWOGBL-OAHLLOKOSA-N 1 2 389.818 3.730 20 30 GHEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](CCOc1ccccc1C#N)C1CC1 ZINC001307565931 1049406022 /nfs/dbraw/zinc/40/60/22/1049406022.db2.gz DMLWQKKSOZPIQE-NRFANRHFSA-N 1 2 378.472 3.576 20 30 GHEDLO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](CCOc1ccccc1C#N)C1CC1 ZINC001307565931 1049406026 /nfs/dbraw/zinc/40/60/26/1049406026.db2.gz DMLWQKKSOZPIQE-NRFANRHFSA-N 1 2 378.472 3.576 20 30 GHEDLO CN(Cc1cc(C#N)cs1)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC001310286038 1051270988 /nfs/dbraw/zinc/27/09/88/1051270988.db2.gz UNSQTOXZZYEKIR-UHFFFAOYSA-N 1 2 381.461 3.559 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 ZINC001342299670 1053085952 /nfs/dbraw/zinc/08/59/52/1053085952.db2.gz QSRGKWGBEDSAGZ-CEWLAPEOSA-N 1 2 395.551 3.805 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 ZINC001342299670 1053085968 /nfs/dbraw/zinc/08/59/68/1053085968.db2.gz QSRGKWGBEDSAGZ-CEWLAPEOSA-N 1 2 395.551 3.805 20 30 GHEDLO C=CCO[C@@H]1CCN(c2nnc([C@@H](CC(C)C)n3cc[nH+]c3)n2CC(C)C)C1 ZINC001342965355 1053463867 /nfs/dbraw/zinc/46/38/67/1053463867.db2.gz CIYGQOWJPVNJQR-RTBURBONSA-N 1 2 386.544 3.547 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 ZINC001342977185 1053473973 /nfs/dbraw/zinc/47/39/73/1053473973.db2.gz CNELXKUUZFQEOX-WOJBJXKFSA-N 1 2 399.514 3.728 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 ZINC001342977185 1053473979 /nfs/dbraw/zinc/47/39/79/1053473979.db2.gz CNELXKUUZFQEOX-WOJBJXKFSA-N 1 2 399.514 3.728 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC(c2ncc(C)s2)CC1 ZINC001343457499 1053782487 /nfs/dbraw/zinc/78/24/87/1053782487.db2.gz OJMDDTAIJKFEMX-KRWDZBQOSA-N 1 2 386.569 3.770 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC(c2ncc(C)s2)CC1 ZINC001343457499 1053782497 /nfs/dbraw/zinc/78/24/97/1053782497.db2.gz OJMDDTAIJKFEMX-KRWDZBQOSA-N 1 2 386.569 3.770 20 30 GHEDLO CC(C)CN(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1Cc1cccs1 ZINC001343559048 1053880201 /nfs/dbraw/zinc/88/02/01/1053880201.db2.gz PLVQPDBMBJEWHD-UHFFFAOYSA-N 1 2 386.569 3.573 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[C@H](Cc2nccs2)C1 ZINC001343927711 1054123992 /nfs/dbraw/zinc/12/39/92/1054123992.db2.gz JPPUWLRXDYTVIK-IAGOWNOFSA-N 1 2 386.569 3.537 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[C@H](Cc2nccs2)C1 ZINC001343927711 1054124000 /nfs/dbraw/zinc/12/40/00/1054124000.db2.gz JPPUWLRXDYTVIK-IAGOWNOFSA-N 1 2 386.569 3.537 20 30 GHEDLO CC(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@H](c2ccco2)C1 ZINC001345110187 1054906354 /nfs/dbraw/zinc/90/63/54/1054906354.db2.gz KODZMWXIVDKYQB-IBGZPJMESA-N 1 2 396.539 3.614 20 30 GHEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+](C)[C@H]2CC[C@@H](SC)C2)c1=S ZINC001318835729 1054908368 /nfs/dbraw/zinc/90/83/68/1054908368.db2.gz IAXPKOGGEMUIIF-JKSUJKDBSA-N 1 2 375.567 3.835 20 30 GHEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+](C)[C@H]2CC[C@@H](SC)C2)c1=S ZINC001318835729 1054908375 /nfs/dbraw/zinc/90/83/75/1054908375.db2.gz IAXPKOGGEMUIIF-JKSUJKDBSA-N 1 2 375.567 3.835 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2C[C@H](CC)c2ccccc2)CC1 ZINC001300681768 1056857705 /nfs/dbraw/zinc/85/77/05/1056857705.db2.gz BGPLCTWDQDULMV-UXHICEINSA-N 1 2 379.552 3.741 20 30 GHEDLO C[C@H](c1ccccc1)[C@@H]1CCCN1c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001355479270 1057177619 /nfs/dbraw/zinc/17/76/19/1057177619.db2.gz CHRTWSOJUCBCIV-NQIIRXRSSA-N 1 2 392.551 3.681 20 30 GHEDLO CC(C)c1ccc2c(c1)CN(c1nnc(C3CC[NH+](CCC#N)CC3)n1C)CC2 ZINC001355479102 1057177834 /nfs/dbraw/zinc/17/78/34/1057177834.db2.gz BHXUOWLWVYBYSU-UHFFFAOYSA-N 1 2 392.551 3.594 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC2(CCO2)CC1 ZINC001356200712 1057426693 /nfs/dbraw/zinc/42/66/93/1057426693.db2.gz WETOOHPRCKGSFR-IBGZPJMESA-N 1 2 395.551 3.807 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC2(CCO2)CC1 ZINC001356200712 1057426695 /nfs/dbraw/zinc/42/66/95/1057426695.db2.gz WETOOHPRCKGSFR-IBGZPJMESA-N 1 2 395.551 3.807 20 30 GHEDLO C=C(C)Cn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC[C@H](OC)C1 ZINC001356200748 1057426784 /nfs/dbraw/zinc/42/67/84/1057426784.db2.gz XCVMCYSMNQSLOO-QUCCMNQESA-N 1 2 383.540 3.662 20 30 GHEDLO C=C(C)Cn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC[C@H](OC)C1 ZINC001356200748 1057426786 /nfs/dbraw/zinc/42/67/86/1057426786.db2.gz XCVMCYSMNQSLOO-QUCCMNQESA-N 1 2 383.540 3.662 20 30 GHEDLO CCn1c(CCCCC#N)nnc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001356329304 1057477585 /nfs/dbraw/zinc/47/75/85/1057477585.db2.gz VHAFIFVHAHQJSE-UHFFFAOYSA-N 1 2 386.931 3.510 20 30 GHEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCC[C@@H]2CCC[C@@H]21 ZINC001357145237 1057616082 /nfs/dbraw/zinc/61/60/82/1057616082.db2.gz URELIPQFGDWQCX-YRPNKDGESA-N 1 2 385.556 3.549 20 30 GHEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCC[C@@H]2CCC[C@@H]21 ZINC001357145237 1057616086 /nfs/dbraw/zinc/61/60/86/1057616086.db2.gz URELIPQFGDWQCX-YRPNKDGESA-N 1 2 385.556 3.549 20 30 GHEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1Cc2ccccc2[C@H](C)C1 ZINC001338690534 1058733186 /nfs/dbraw/zinc/73/31/86/1058733186.db2.gz LSSRFPANSGLNLF-LMNJBCLMSA-N 1 2 393.535 3.514 20 30 GHEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1Cc2ccccc2[C@H](C)C1 ZINC001338690534 1058733206 /nfs/dbraw/zinc/73/32/06/1058733206.db2.gz LSSRFPANSGLNLF-LMNJBCLMSA-N 1 2 393.535 3.514 20 30 GHEDLO CCN(C(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC001442216252 1058933851 /nfs/dbraw/zinc/93/38/51/1058933851.db2.gz QAEUEZSHUOVQCR-JTSKRJEESA-N 1 2 377.488 3.751 20 30 GHEDLO CCN(C(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC001442216252 1058933854 /nfs/dbraw/zinc/93/38/54/1058933854.db2.gz QAEUEZSHUOVQCR-JTSKRJEESA-N 1 2 377.488 3.751 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@@H]1c1c(C)cccc1C ZINC001339210821 1059014130 /nfs/dbraw/zinc/01/41/30/1059014130.db2.gz MQQVIZWPVGYUOX-GOSISDBHSA-N 1 2 376.508 3.747 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N(C)Cc1ccccc1O ZINC001340640729 1060010848 /nfs/dbraw/zinc/01/08/48/1060010848.db2.gz IEZPGPQDOVLTHH-GOSISDBHSA-N 1 2 380.496 3.638 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1Cc2ccccc2C(C)(C)C1 ZINC001340912779 1060242825 /nfs/dbraw/zinc/24/28/25/1060242825.db2.gz ZBRLHBDCXYNFAH-UHFFFAOYSA-N 1 2 392.551 3.689 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@@H]2CC[C@@]21c1cccnc1 ZINC001342224028 1061151151 /nfs/dbraw/zinc/15/11/51/1061151151.db2.gz BUDKCKMAVBLNQB-LEDOBFOHSA-N 1 2 392.551 3.922 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@H]2CC[C@@]21c1cccnc1 ZINC001342224028 1061151159 /nfs/dbraw/zinc/15/11/59/1061151159.db2.gz BUDKCKMAVBLNQB-LEDOBFOHSA-N 1 2 392.551 3.922 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[C@@H]2CC[C@@]21c1cccnc1 ZINC001342224031 1061151251 /nfs/dbraw/zinc/15/12/51/1061151251.db2.gz BUDKCKMAVBLNQB-NOXFTYBFSA-N 1 2 392.551 3.922 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@H]2CC[C@@]21c1cccnc1 ZINC001342224031 1061151259 /nfs/dbraw/zinc/15/12/59/1061151259.db2.gz BUDKCKMAVBLNQB-NOXFTYBFSA-N 1 2 392.551 3.922 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCS[C@H](c2ccccc2)C1 ZINC001346188034 1061437068 /nfs/dbraw/zinc/43/70/68/1061437068.db2.gz ORYRJTSLYDFHIG-MOPGFXCFSA-N 1 2 383.565 3.915 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCS[C@H](c2ccccc2)C1 ZINC001346188034 1061437076 /nfs/dbraw/zinc/43/70/76/1061437076.db2.gz ORYRJTSLYDFHIG-MOPGFXCFSA-N 1 2 383.565 3.915 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1C[C@]2(C)COC[C@]2(C)C1 ZINC001346218868 1061455917 /nfs/dbraw/zinc/45/59/17/1061455917.db2.gz DGTXKHCHFMMABI-QIJUGHKUSA-N 1 2 398.555 3.549 20 30 GHEDLO N#CCc1ccccc1CC(=O)NCCc1cn(Cc2ccc(Cl)cc2)c[nH+]1 ZINC001457268040 1063066875 /nfs/dbraw/zinc/06/68/75/1063066875.db2.gz MFGCEDOULYBEKR-UHFFFAOYSA-N 1 2 392.890 3.552 20 30 GHEDLO CCOc1ccc(C[NH+]2CCN(C(=O)[C@@H](C#N)CCc3ccccc3)CC2)cc1 ZINC001463833531 1064657534 /nfs/dbraw/zinc/65/75/34/1064657534.db2.gz KDFVZVBRTGSWPS-JOCHJYFZSA-N 1 2 391.515 3.502 20 30 GHEDLO C=CCNC(=O)Nc1ccc(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)cc1 ZINC001463923148 1064722187 /nfs/dbraw/zinc/72/21/87/1064722187.db2.gz NWCAOFSORZDCAP-LJQANCHMSA-N 1 2 389.459 3.878 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)[C@@H](C)c1ccc(F)cc1 ZINC001351949922 1064725979 /nfs/dbraw/zinc/72/59/79/1064725979.db2.gz UKPVDLQAKVSKSW-KRWDZBQOSA-N 1 2 396.514 3.894 20 30 GHEDLO CN(CCc1cccc(C#N)c1)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC001200172773 1065473112 /nfs/dbraw/zinc/47/31/12/1065473112.db2.gz BOTSVJYUZKYALY-UHFFFAOYSA-N 1 2 389.459 3.540 20 30 GHEDLO C#CCOCCC(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001466270489 1066066698 /nfs/dbraw/zinc/06/66/98/1066066698.db2.gz URYXKQJHFSMSPA-QHCPKHFHSA-N 1 2 396.918 3.614 20 30 GHEDLO C[C@H]1C[N@H+](CCNC(=O)Nc2ccc(Sc3ccccc3C#N)cc2)CCO1 ZINC001466569074 1066195371 /nfs/dbraw/zinc/19/53/71/1066195371.db2.gz DPSMBSFYTGISFQ-INIZCTEOSA-N 1 2 396.516 3.552 20 30 GHEDLO C[C@H]1C[N@@H+](CCNC(=O)Nc2ccc(Sc3ccccc3C#N)cc2)CCO1 ZINC001466569074 1066195382 /nfs/dbraw/zinc/19/53/82/1066195382.db2.gz DPSMBSFYTGISFQ-INIZCTEOSA-N 1 2 396.516 3.552 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2[C@H]2C[C@H]2C)CC1 ZINC001359032233 1067659323 /nfs/dbraw/zinc/65/93/23/1067659323.db2.gz HBOMAWHQIVUNSB-DYVFJYSZSA-N 1 2 390.318 3.588 20 30 GHEDLO C=CCN(C)c1nnc([C@H](C)CC)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001359231010 1067832056 /nfs/dbraw/zinc/83/20/56/1067832056.db2.gz LQEBYMFOLNZIFJ-CTNGQTDRSA-N 1 2 397.567 3.796 20 30 GHEDLO C=CCN(C)c1nnc(-c2ccccn2)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001359236637 1067842570 /nfs/dbraw/zinc/84/25/70/1067842570.db2.gz TVOZQQSEGLNGCX-GOSISDBHSA-N 1 2 398.461 3.543 20 30 GHEDLO CC(C)Cn1cc([C@@H]2[N@H+](Cc3ccc(C#N)c(F)c3)CC23CCOCC3)cn1 ZINC000849480748 1067862052 /nfs/dbraw/zinc/86/20/52/1067862052.db2.gz JBOWMDFWXVWGRX-NRFANRHFSA-N 1 2 382.483 3.904 20 30 GHEDLO CC(C)Cn1cc([C@@H]2[N@@H+](Cc3ccc(C#N)c(F)c3)CC23CCOCC3)cn1 ZINC000849480748 1067862067 /nfs/dbraw/zinc/86/20/67/1067862067.db2.gz JBOWMDFWXVWGRX-NRFANRHFSA-N 1 2 382.483 3.904 20 30 GHEDLO C=CCC1(O)CC[NH+](CC(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)CC1 ZINC001460800562 1069188941 /nfs/dbraw/zinc/18/89/41/1069188941.db2.gz ITAJVYBVAPVPDD-UHFFFAOYSA-N 1 2 385.533 3.768 20 30 GHEDLO N#Cc1ccc(CNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1F ZINC001470522642 1072607473 /nfs/dbraw/zinc/60/74/73/1072607473.db2.gz LOYYGCLJCLXQFR-RTWAWAEBSA-N 1 2 389.434 3.622 20 30 GHEDLO C=CCC1(CNC(=O)NC[C@@H]2C[N@H+](Cc3ccc(C)cc3)CCO2)CCCC1 ZINC001478629677 1078939658 /nfs/dbraw/zinc/93/96/58/1078939658.db2.gz QRHQYCCUEUPWCN-OAQYLSRUSA-N 1 2 385.552 3.632 20 30 GHEDLO C=CCC1(CNC(=O)NC[C@@H]2C[N@@H+](Cc3ccc(C)cc3)CCO2)CCCC1 ZINC001478629677 1078939660 /nfs/dbraw/zinc/93/96/60/1078939660.db2.gz QRHQYCCUEUPWCN-OAQYLSRUSA-N 1 2 385.552 3.632 20 30 GHEDLO CCc1ccc(N2CC[NH+]([C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)cc1 ZINC001473201577 1073854953 /nfs/dbraw/zinc/85/49/53/1073854953.db2.gz BADFJDLHYKJVHY-INIZCTEOSA-N 1 2 396.922 3.923 20 30 GHEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)cc1Cl ZINC001473558969 1074015747 /nfs/dbraw/zinc/01/57/47/1074015747.db2.gz PPURQRUMTLIPIT-UHFFFAOYSA-N 1 2 378.259 3.944 20 30 GHEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)cc1Cl ZINC001473558969 1074015761 /nfs/dbraw/zinc/01/57/61/1074015761.db2.gz PPURQRUMTLIPIT-UHFFFAOYSA-N 1 2 378.259 3.944 20 30 GHEDLO COc1ccc2c(c1)CC[N@@H+](CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)C2 ZINC001473649147 1074067567 /nfs/dbraw/zinc/06/75/67/1074067567.db2.gz KPDTWTGWHWGIND-UHFFFAOYSA-N 1 2 397.906 3.962 20 30 GHEDLO COc1ccc2c(c1)CC[N@H+](CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)C2 ZINC001473649147 1074067571 /nfs/dbraw/zinc/06/75/71/1074067571.db2.gz KPDTWTGWHWGIND-UHFFFAOYSA-N 1 2 397.906 3.962 20 30 GHEDLO N#Cc1csc(C[NH+]2CCC(OCc3ccc(Br)cc3)CC2)n1 ZINC001473897312 1074195295 /nfs/dbraw/zinc/19/52/95/1074195295.db2.gz JNGWESAZYAGLOJ-UHFFFAOYSA-N 1 2 392.322 3.958 20 30 GHEDLO CC(=NNc1ccc(-c2nn[nH]n2)c(Cl)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000823958486 609470276 /nfs/dbraw/zinc/47/02/76/609470276.db2.gz OUINRQSPYNNVLH-UHFFFAOYSA-N 1 2 378.827 3.542 20 30 GHEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH+]1CCC(c2ccsc2)CC1 ZINC000186941249 837495031 /nfs/dbraw/zinc/49/50/31/837495031.db2.gz WGTITXHRVKRCPG-UHFFFAOYSA-N 1 2 391.500 3.624 20 30 GHEDLO C=C(C)COc1cc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)ccc1OC ZINC000180718102 837493069 /nfs/dbraw/zinc/49/30/69/837493069.db2.gz RVPPVNYMKVQOFW-YADHBBJMSA-N 1 2 397.515 3.975 20 30 GHEDLO C=C(C)COc1cc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)ccc1OC ZINC000180718102 837493073 /nfs/dbraw/zinc/49/30/73/837493073.db2.gz RVPPVNYMKVQOFW-YADHBBJMSA-N 1 2 397.515 3.975 20 30 GHEDLO Cc1oc(-c2ccsc2)nc1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000608857529 837587149 /nfs/dbraw/zinc/58/71/49/837587149.db2.gz WMAZGBSHQNALHT-UHFFFAOYSA-N 1 2 378.501 3.901 20 30 GHEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000118391872 834537443 /nfs/dbraw/zinc/53/74/43/834537443.db2.gz XGJSUABNCMFMJG-TVGZPFHWSA-N 1 2 377.532 3.980 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000577777945 834749439 /nfs/dbraw/zinc/74/94/39/834749439.db2.gz LGWQWFVPBIGBMU-AWEZNQCLSA-N 1 2 398.507 3.791 20 30 GHEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)cs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181098752 837830525 /nfs/dbraw/zinc/83/05/25/837830525.db2.gz OJPFVGZAICIIQB-WBVHZDCISA-N 1 2 377.872 3.978 20 30 GHEDLO CC[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)cs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181098752 837830531 /nfs/dbraw/zinc/83/05/31/837830531.db2.gz OJPFVGZAICIIQB-WBVHZDCISA-N 1 2 377.872 3.978 20 30 GHEDLO C[C@](C#N)(NC(=O)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1)C1CC1 ZINC000052798043 835579133 /nfs/dbraw/zinc/57/91/33/835579133.db2.gz XNPXRJXXPLPUOO-HSZRJFAPSA-N 1 2 390.462 3.508 20 30 GHEDLO C[C@](C#N)(NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1)C1CC1 ZINC000052798043 835579140 /nfs/dbraw/zinc/57/91/40/835579140.db2.gz XNPXRJXXPLPUOO-HSZRJFAPSA-N 1 2 390.462 3.508 20 30 GHEDLO C=CC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)C1 ZINC000658436720 835678256 /nfs/dbraw/zinc/67/82/56/835678256.db2.gz KNGRTDKCCZWFMK-KRWDZBQOSA-N 1 2 392.503 3.640 20 30 GHEDLO N#CCCC[C@H](NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1)c1ccccc1 ZINC000431629293 835907630 /nfs/dbraw/zinc/90/76/30/835907630.db2.gz VVSYFWKSSYCYBL-FQEVSTJZSA-N 1 2 394.500 3.645 20 30 GHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](C)[C@H](C)c2ccncc2)c1C#N ZINC000179666713 835932130 /nfs/dbraw/zinc/93/21/30/835932130.db2.gz JTYVFETUQQVDGI-GOSISDBHSA-N 1 2 387.487 3.992 20 30 GHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](C)[C@H](C)c2ccncc2)c1C#N ZINC000179666713 835932136 /nfs/dbraw/zinc/93/21/36/835932136.db2.gz JTYVFETUQQVDGI-GOSISDBHSA-N 1 2 387.487 3.992 20 30 GHEDLO CC(C)Oc1ccccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000048192939 836035535 /nfs/dbraw/zinc/03/55/35/836035535.db2.gz LVFKXLVGTVINAP-UHFFFAOYSA-N 1 2 378.476 3.695 20 30 GHEDLO CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(c2ccncc2C#N)CC1 ZINC000548480217 844119696 /nfs/dbraw/zinc/11/96/96/844119696.db2.gz FDTOQCMSSCIVIV-GOSISDBHSA-N 1 2 385.309 3.989 20 30 GHEDLO N#Cc1ccccc1Oc1nc(Cl)ncc1N1CCC(n2cc[nH+]c2)CC1 ZINC001167128307 836467819 /nfs/dbraw/zinc/46/78/19/836467819.db2.gz HNMDVEWDVCZSGE-UHFFFAOYSA-N 1 2 380.839 3.832 20 30 GHEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000413950839 836907977 /nfs/dbraw/zinc/90/79/77/836907977.db2.gz ALPSTWSLUSWPSW-UHFFFAOYSA-N 1 2 395.528 3.550 20 30 GHEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)C1=O ZINC000580456369 837361472 /nfs/dbraw/zinc/36/14/72/837361472.db2.gz XQMKSGFXEHEIGJ-IRXDYDNUSA-N 1 2 387.892 3.532 20 30 GHEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)C1=O ZINC000580456369 837361487 /nfs/dbraw/zinc/36/14/87/837361487.db2.gz XQMKSGFXEHEIGJ-IRXDYDNUSA-N 1 2 387.892 3.532 20 30 GHEDLO C[C@@H]1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C[C@H]1n1cc[nH+]c1 ZINC000122794204 838376186 /nfs/dbraw/zinc/37/61/86/838376186.db2.gz JNNVGMREMSVZTP-OXQOHEQNSA-N 1 2 390.443 3.650 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1C ZINC000549215697 839343544 /nfs/dbraw/zinc/34/35/44/839343544.db2.gz KXFCKPSMIWSFQY-UHFFFAOYSA-N 1 2 397.494 3.963 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)N2CCC(C)(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000378599614 839404737 /nfs/dbraw/zinc/40/47/37/839404737.db2.gz XGJRJNRDYPFPPW-SJORKVTESA-N 1 2 378.879 3.560 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)N2CCC(C)(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000378599614 839404742 /nfs/dbraw/zinc/40/47/42/839404742.db2.gz XGJRJNRDYPFPPW-SJORKVTESA-N 1 2 378.879 3.560 20 30 GHEDLO C=CCOc1ccc(C[NH+]2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000535783959 844447165 /nfs/dbraw/zinc/44/71/65/844447165.db2.gz YWCFVQGLJMNTFM-UHFFFAOYSA-N 1 2 390.487 3.619 20 30 GHEDLO CC(C)Oc1ccc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 ZINC000535789651 844457671 /nfs/dbraw/zinc/45/76/71/844457671.db2.gz QRKVYDKBVFIBHO-UHFFFAOYSA-N 1 2 392.459 3.916 20 30 GHEDLO N#Cc1cccc(-c2cc(C(=O)NCc3cc[nH+]c(N4CCCCC4)c3)on2)c1 ZINC000573504863 844579035 /nfs/dbraw/zinc/57/90/35/844579035.db2.gz MUJBOBACPMIZQE-UHFFFAOYSA-N 1 2 387.443 3.529 20 30 GHEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3ccccc3SCC#N)CC2)c1 ZINC000728891571 842325820 /nfs/dbraw/zinc/32/58/20/842325820.db2.gz PHHHQIARLNPJMP-QGZVFWFLSA-N 1 2 395.528 3.830 20 30 GHEDLO CCOc1ccccc1NC(=O)[C@H](C)O[NH+]=C(N)Cc1ccccc1Cl ZINC000097571162 842574197 /nfs/dbraw/zinc/57/41/97/842574197.db2.gz OAUKRSCAKKDNEI-ZDUSSCGKSA-N 1 2 375.856 3.597 20 30 GHEDLO Cc1n[nH]c(C)c1[C@@H]1CCCN1C([O-])=[NH+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329368055 861334794 /nfs/dbraw/zinc/33/47/94/861334794.db2.gz JCIXIYVAXYQANW-CVEARBPZSA-N 1 2 384.528 3.586 20 30 GHEDLO C=CCn1c([C@@H]2COc3ccccc3O2)nn(C[N@H+](C)CCC2CC2)c1=S ZINC000162879493 842935704 /nfs/dbraw/zinc/93/57/04/842935704.db2.gz QHOMSOLRPVPUBD-SFHVURJKSA-N 1 2 386.521 3.802 20 30 GHEDLO C=CCn1c([C@@H]2COc3ccccc3O2)nn(C[N@@H+](C)CCC2CC2)c1=S ZINC000162879493 842935711 /nfs/dbraw/zinc/93/57/11/842935711.db2.gz QHOMSOLRPVPUBD-SFHVURJKSA-N 1 2 386.521 3.802 20 30 GHEDLO CCOC(=O)c1cnn(C2CC[NH+](Cc3ccc(Cl)cc3C#N)CC2)c1C ZINC000510625305 843076381 /nfs/dbraw/zinc/07/63/81/843076381.db2.gz SRRHDIVBBBBFAE-UHFFFAOYSA-N 1 2 386.883 3.730 20 30 GHEDLO COc1cc(C)ccc1Oc1ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc1F ZINC000563004345 843531893 /nfs/dbraw/zinc/53/18/93/843531893.db2.gz GGYXWIMSDRYEDW-KRWDZBQOSA-N 1 2 387.455 3.553 20 30 GHEDLO COc1cc(C)ccc1Oc1ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc1F ZINC000563004345 843531906 /nfs/dbraw/zinc/53/19/06/843531906.db2.gz GGYXWIMSDRYEDW-KRWDZBQOSA-N 1 2 387.455 3.553 20 30 GHEDLO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)cc1 ZINC000610683673 843533858 /nfs/dbraw/zinc/53/38/58/843533858.db2.gz WKARCUPRBNAXMK-UHFFFAOYSA-N 1 2 385.423 3.957 20 30 GHEDLO N#Cc1cscc1C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000432713426 843572356 /nfs/dbraw/zinc/57/23/56/843572356.db2.gz IRMHXJZRVVOZSB-INIZCTEOSA-N 1 2 377.872 3.979 20 30 GHEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000500588416 843674436 /nfs/dbraw/zinc/67/44/36/843674436.db2.gz HOMWYWMKEPDDEX-XPKDYRNWSA-N 1 2 389.286 3.842 20 30 GHEDLO N#CC1(F)CC[NH+](CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)CC1 ZINC000510900451 843755939 /nfs/dbraw/zinc/75/59/39/843755939.db2.gz DNXOFDSAWJZJDW-UHFFFAOYSA-N 1 2 375.463 3.815 20 30 GHEDLO COc1ccc([C@H]([NH2+][C@@H](C)C(=O)NC2(C#N)CCCCC2)c2ccco2)cc1 ZINC000419286076 843874029 /nfs/dbraw/zinc/87/40/29/843874029.db2.gz NSWIOPRSBLYAJJ-JXFKEZNVSA-N 1 2 381.476 3.698 20 30 GHEDLO COc1ccc([C@@H]2CC[N@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)cc1F ZINC000599678140 861475964 /nfs/dbraw/zinc/47/59/64/861475964.db2.gz IVABIGABUOFDAN-OAHLLOKOSA-N 1 2 387.842 3.787 20 30 GHEDLO COc1ccc([C@@H]2CC[N@@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)cc1F ZINC000599678140 861475970 /nfs/dbraw/zinc/47/59/70/861475970.db2.gz IVABIGABUOFDAN-OAHLLOKOSA-N 1 2 387.842 3.787 20 30 GHEDLO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC(c3ccc(Cl)cc3)CC2)c1 ZINC000185798152 861506846 /nfs/dbraw/zinc/50/68/46/861506846.db2.gz BXDCWAYVOSTVKH-UHFFFAOYSA-N 1 2 388.920 3.865 20 30 GHEDLO C[C@@H](c1cccc(NC(=O)c2ccccc2SCC#N)c1)[NH+]1CCOCC1 ZINC000729409053 844939261 /nfs/dbraw/zinc/93/92/61/844939261.db2.gz RFNHCJXNWLGSEV-INIZCTEOSA-N 1 2 381.501 3.948 20 30 GHEDLO CC(C)COc1cccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000047695145 845570177 /nfs/dbraw/zinc/57/01/77/845570177.db2.gz ZAZCQTIKUHEEQI-UHFFFAOYSA-N 1 2 392.503 3.943 20 30 GHEDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502529741 846162619 /nfs/dbraw/zinc/16/26/19/846162619.db2.gz ILLXWZDVWRXSBO-UHFFFAOYSA-N 1 2 376.416 3.503 20 30 GHEDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502529741 846162627 /nfs/dbraw/zinc/16/26/27/846162627.db2.gz ILLXWZDVWRXSBO-UHFFFAOYSA-N 1 2 376.416 3.503 20 30 GHEDLO COc1ccc(OC)c(NC(=O)[C@H](C)[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502530940 846162988 /nfs/dbraw/zinc/16/29/88/846162988.db2.gz UBERLNJPBNPJQK-INIZCTEOSA-N 1 2 391.471 3.692 20 30 GHEDLO COc1ccc(OC)c(NC(=O)[C@H](C)[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502530940 846162994 /nfs/dbraw/zinc/16/29/94/846162994.db2.gz UBERLNJPBNPJQK-INIZCTEOSA-N 1 2 391.471 3.692 20 30 GHEDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502549349 846188255 /nfs/dbraw/zinc/18/82/55/846188255.db2.gz WPOXLXSMPBKGKL-OAHLLOKOSA-N 1 2 376.416 3.583 20 30 GHEDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502549349 846188264 /nfs/dbraw/zinc/18/82/64/846188264.db2.gz WPOXLXSMPBKGKL-OAHLLOKOSA-N 1 2 376.416 3.583 20 30 GHEDLO N#C[C@H]1C[N@@H+](Cc2cnc(-c3ccccc3)s2)C[C@]12C(=O)Nc1ccccc12 ZINC000513666404 846232616 /nfs/dbraw/zinc/23/26/16/846232616.db2.gz MGTRAUJYBAFSRH-AOMKIAJQSA-N 1 2 386.480 3.656 20 30 GHEDLO N#C[C@H]1C[N@H+](Cc2cnc(-c3ccccc3)s2)C[C@]12C(=O)Nc1ccccc12 ZINC000513666404 846232630 /nfs/dbraw/zinc/23/26/30/846232630.db2.gz MGTRAUJYBAFSRH-AOMKIAJQSA-N 1 2 386.480 3.656 20 30 GHEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)CCCCOc1cccc(C#N)c1 ZINC000277473876 846305143 /nfs/dbraw/zinc/30/51/43/846305143.db2.gz HKXHSLVRAAEQLR-UHFFFAOYSA-N 1 2 382.508 3.805 20 30 GHEDLO N#Cc1cccc(COc2cccc(C[N@H+]3Cc4ccccc4C[C@@H]3C(N)=O)c2)c1 ZINC000119834310 846363803 /nfs/dbraw/zinc/36/38/03/846363803.db2.gz YGXHTHMXIOMZPJ-XMMPIXPASA-N 1 2 397.478 3.549 20 30 GHEDLO N#Cc1cccc(COc2cccc(C[N@@H+]3Cc4ccccc4C[C@@H]3C(N)=O)c2)c1 ZINC000119834310 846363815 /nfs/dbraw/zinc/36/38/15/846363815.db2.gz YGXHTHMXIOMZPJ-XMMPIXPASA-N 1 2 397.478 3.549 20 30 GHEDLO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000582181658 846594497 /nfs/dbraw/zinc/59/44/97/846594497.db2.gz ITXHJBYPFPBAMK-FQEVSTJZSA-N 1 2 385.475 3.869 20 30 GHEDLO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000582181658 846594504 /nfs/dbraw/zinc/59/45/04/846594504.db2.gz ITXHJBYPFPBAMK-FQEVSTJZSA-N 1 2 385.475 3.869 20 30 GHEDLO C=C(CNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000501098789 846639473 /nfs/dbraw/zinc/63/94/73/846639473.db2.gz NFYXHSPKFPCHKF-RTWAWAEBSA-N 1 2 399.922 3.724 20 30 GHEDLO C=C(CNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000501098789 846639479 /nfs/dbraw/zinc/63/94/79/846639479.db2.gz NFYXHSPKFPCHKF-RTWAWAEBSA-N 1 2 399.922 3.724 20 30 GHEDLO C[C@@]1(NC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CCO[C@H]1C1CC1 ZINC000329606857 861756063 /nfs/dbraw/zinc/75/60/63/861756063.db2.gz IEDNGQHQXXUMMX-SIKLNZKXSA-N 1 2 380.492 3.979 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000582509527 847442044 /nfs/dbraw/zinc/44/20/44/847442044.db2.gz IGEIZMKHPHDKQO-MRXNPFEDSA-N 1 2 384.501 3.525 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000582509527 847442048 /nfs/dbraw/zinc/44/20/48/847442048.db2.gz IGEIZMKHPHDKQO-MRXNPFEDSA-N 1 2 384.501 3.525 20 30 GHEDLO Cc1cc(CNC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc(C)[nH+]1 ZINC000421081832 847725498 /nfs/dbraw/zinc/72/54/98/847725498.db2.gz NEUYWRFXSBTLPU-UHFFFAOYSA-N 1 2 378.354 3.833 20 30 GHEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000481620805 861873859 /nfs/dbraw/zinc/87/38/59/861873859.db2.gz GEIVMZKAGFBOGF-OAHLLOKOSA-N 1 2 393.422 3.683 20 30 GHEDLO N#Cc1cc(F)cc(C2(C(=O)N[C@H]3CC[C@H](Nc4cccc[nH+]4)CC3)CC2)c1 ZINC000582792523 848391277 /nfs/dbraw/zinc/39/12/77/848391277.db2.gz KQJXMKGRIABMKA-WGSAOQKQSA-N 1 2 378.451 3.663 20 30 GHEDLO CCCN(C)c1ccccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000599930186 861924663 /nfs/dbraw/zinc/92/46/63/861924663.db2.gz MELTZYSWAGKVSQ-UHFFFAOYSA-N 1 2 391.519 3.754 20 30 GHEDLO Cc1cn2ccc(I)c(NCc3ccccc3C#N)c2[nH+]1 ZINC001167635402 848650867 /nfs/dbraw/zinc/65/08/67/848650867.db2.gz OOAZNNRWMRPDSI-UHFFFAOYSA-N 1 2 388.212 3.731 20 30 GHEDLO CN(C)c1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1Cl ZINC000731898383 861944832 /nfs/dbraw/zinc/94/48/32/861944832.db2.gz JPPYNGNHHJFRPM-UHFFFAOYSA-N 1 2 397.910 3.627 20 30 GHEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)C3(c4cccc(C#N)c4)CC3)CC2)c1 ZINC000435006012 849988118 /nfs/dbraw/zinc/98/81/18/849988118.db2.gz ULWBITJHLHUBKC-SFHVURJKSA-N 1 2 389.499 3.504 20 30 GHEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C3(c4cccc(C#N)c4)CC3)CC2)c1 ZINC000435006011 849988201 /nfs/dbraw/zinc/98/82/01/849988201.db2.gz ULWBITJHLHUBKC-GOSISDBHSA-N 1 2 389.499 3.504 20 30 GHEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425310790 850269019 /nfs/dbraw/zinc/26/90/19/850269019.db2.gz YDQGVRODIHQQAE-HXUWFJFHSA-N 1 2 379.460 3.622 20 30 GHEDLO N#Cc1ccc(N2CCC(C(=O)Nc3ccccc3-n3cc[nH+]c3)CC2)c(F)c1 ZINC000505642302 850270615 /nfs/dbraw/zinc/27/06/15/850270615.db2.gz WNTMSTNROASUIT-UHFFFAOYSA-N 1 2 389.434 3.738 20 30 GHEDLO Cc1cc(OCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1C(C)C ZINC000017842928 850298278 /nfs/dbraw/zinc/29/82/78/850298278.db2.gz KLTVAXGHCXEBNU-UHFFFAOYSA-N 1 2 391.515 3.713 20 30 GHEDLO COC(=O)c1cccc(C[NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)c1C#N ZINC000515443385 851022252 /nfs/dbraw/zinc/02/22/52/851022252.db2.gz OKNXKHLIPNLDDK-SFHVURJKSA-N 1 2 393.270 3.865 20 30 GHEDLO C=CCC[C@H](C(=O)NCc1ccccc1C[NH+]1CCOCC1)c1ccccc1 ZINC000187482891 851176011 /nfs/dbraw/zinc/17/60/11/851176011.db2.gz ODIPNGSYAYNIAG-QHCPKHFHSA-N 1 2 378.516 3.885 20 30 GHEDLO COc1ccc(-c2noc(C[N@H+](C)[C@@H](C)c3cccc(C#N)c3)n2)c(OC)c1 ZINC000425529706 851556284 /nfs/dbraw/zinc/55/62/84/851556284.db2.gz COZKHWPVARHCSH-AWEZNQCLSA-N 1 2 378.432 3.818 20 30 GHEDLO COc1ccc(-c2noc(C[N@@H+](C)[C@@H](C)c3cccc(C#N)c3)n2)c(OC)c1 ZINC000425529706 851556294 /nfs/dbraw/zinc/55/62/94/851556294.db2.gz COZKHWPVARHCSH-AWEZNQCLSA-N 1 2 378.432 3.818 20 30 GHEDLO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425529512 851557635 /nfs/dbraw/zinc/55/76/35/851557635.db2.gz BXXCFQJTZIDWIJ-ZDUSSCGKSA-N 1 2 385.489 3.655 20 30 GHEDLO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425529512 851557639 /nfs/dbraw/zinc/55/76/39/851557639.db2.gz BXXCFQJTZIDWIJ-ZDUSSCGKSA-N 1 2 385.489 3.655 20 30 GHEDLO N#Cc1cccnc1N1CC[NH+](Cc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000506260294 852505941 /nfs/dbraw/zinc/50/59/41/852505941.db2.gz VRXQHBYDUGVVQN-UHFFFAOYSA-N 1 2 380.398 3.814 20 30 GHEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000505906240 852546939 /nfs/dbraw/zinc/54/69/39/852546939.db2.gz MQNCYZNLAXCEQB-QZMUEMGWSA-N 1 2 397.482 3.860 20 30 GHEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000505906240 852546943 /nfs/dbraw/zinc/54/69/43/852546943.db2.gz MQNCYZNLAXCEQB-QZMUEMGWSA-N 1 2 397.482 3.860 20 30 GHEDLO CCC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)[C@H](C)C(=O)Nc1ccccc1C ZINC000490087178 852764283 /nfs/dbraw/zinc/76/42/83/852764283.db2.gz YSYVNEXWTBJRSE-LJQANCHMSA-N 1 2 398.551 3.719 20 30 GHEDLO CCC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)[C@H](C)C(=O)Nc1ccccc1C ZINC000490087178 852764288 /nfs/dbraw/zinc/76/42/88/852764288.db2.gz YSYVNEXWTBJRSE-LJQANCHMSA-N 1 2 398.551 3.719 20 30 GHEDLO CC(C)[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)cs2)[C@@H]1c1ccc(F)c(F)c1 ZINC000490276580 852887717 /nfs/dbraw/zinc/88/77/17/852887717.db2.gz SHFSJMZRBDDCHE-WMZOPIPTSA-N 1 2 375.444 3.852 20 30 GHEDLO CC(C)[N@H+]1CC[C@H](NC(=O)c2cc(C#N)cs2)[C@@H]1c1ccc(F)c(F)c1 ZINC000490276580 852887721 /nfs/dbraw/zinc/88/77/21/852887721.db2.gz SHFSJMZRBDDCHE-WMZOPIPTSA-N 1 2 375.444 3.852 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1C#N)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000029686133 853361930 /nfs/dbraw/zinc/36/19/30/853361930.db2.gz QIOMRXUGWGREQX-IAGOWNOFSA-N 1 2 396.922 3.917 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@H]3CCC[C@@H]4OCC[C@H]43)n2)C1 ZINC000329958994 862457601 /nfs/dbraw/zinc/45/76/01/862457601.db2.gz QWYGVCROHUIUMA-XBVQOTNRSA-N 1 2 378.542 3.659 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@H]3CCC[C@@H]4OCC[C@H]43)n2)C1 ZINC000329958994 862457608 /nfs/dbraw/zinc/45/76/08/862457608.db2.gz QWYGVCROHUIUMA-XBVQOTNRSA-N 1 2 378.542 3.659 20 30 GHEDLO N#Cc1c(NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)n[nH]c1C1CC1 ZINC000519695806 853401255 /nfs/dbraw/zinc/40/12/55/853401255.db2.gz GJLCKCFCZDVNMN-UHFFFAOYSA-N 1 2 385.471 3.800 20 30 GHEDLO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000588204488 854215819 /nfs/dbraw/zinc/21/58/19/854215819.db2.gz GXEZRSGOKMWSRQ-OAHLLOKOSA-N 1 2 379.298 3.732 20 30 GHEDLO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000588204488 854215829 /nfs/dbraw/zinc/21/58/29/854215829.db2.gz GXEZRSGOKMWSRQ-OAHLLOKOSA-N 1 2 379.298 3.732 20 30 GHEDLO CCCCNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2nc(-c3ccco3)cs2)C1 ZINC000051058057 854378906 /nfs/dbraw/zinc/37/89/06/854378906.db2.gz DDBXGVJHBGWFGL-CQSZACIVSA-N 1 2 390.509 3.619 20 30 GHEDLO CCCCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2nc(-c3ccco3)cs2)C1 ZINC000051058057 854378914 /nfs/dbraw/zinc/37/89/14/854378914.db2.gz DDBXGVJHBGWFGL-CQSZACIVSA-N 1 2 390.509 3.619 20 30 GHEDLO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)N[C@@H]1CCCC12CCOCC2 ZINC000328709007 854517130 /nfs/dbraw/zinc/51/71/30/854517130.db2.gz MICMBLJYEUEWIU-LJQANCHMSA-N 1 2 391.943 3.551 20 30 GHEDLO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)N[C@@H]1CCCC12CCOCC2 ZINC000328709007 854517141 /nfs/dbraw/zinc/51/71/41/854517141.db2.gz MICMBLJYEUEWIU-LJQANCHMSA-N 1 2 391.943 3.551 20 30 GHEDLO Cc1cccc2c1N(C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1)CC2 ZINC000328765641 854532878 /nfs/dbraw/zinc/53/28/78/854532878.db2.gz GVHUVZZBMRYBMS-LJQANCHMSA-N 1 2 380.492 3.755 20 30 GHEDLO Cc1cccc2c1N(C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1)CC2 ZINC000328765641 854532885 /nfs/dbraw/zinc/53/28/85/854532885.db2.gz GVHUVZZBMRYBMS-LJQANCHMSA-N 1 2 380.492 3.755 20 30 GHEDLO Cc1ncc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC000328817464 854548413 /nfs/dbraw/zinc/54/84/13/854548413.db2.gz GWTKLZQPUDTSCU-HZPDHXFCSA-N 1 2 382.892 3.693 20 30 GHEDLO Cc1ncc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC000328817464 854548417 /nfs/dbraw/zinc/54/84/17/854548417.db2.gz GWTKLZQPUDTSCU-HZPDHXFCSA-N 1 2 382.892 3.693 20 30 GHEDLO CCC(=O)N[C@H]1CCCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000328830795 854564547 /nfs/dbraw/zinc/56/45/47/854564547.db2.gz URBUQVZCKSNIFU-KRWDZBQOSA-N 1 2 393.491 3.978 20 30 GHEDLO CO[C@]1(C)C[C@H](NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1(C)C ZINC000328831761 854565866 /nfs/dbraw/zinc/56/58/66/854565866.db2.gz VFBXPWODWHSLMI-PGRDOPGGSA-N 1 2 380.492 3.941 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CCC(=O)NC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000328862606 854584574 /nfs/dbraw/zinc/58/45/74/854584574.db2.gz ZCRUNLMKSZDHSI-UCLAIMLFSA-N 1 2 383.414 3.952 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)[C@]2(C)CCC(=O)NC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000328862606 854584580 /nfs/dbraw/zinc/58/45/80/854584580.db2.gz ZCRUNLMKSZDHSI-UCLAIMLFSA-N 1 2 383.414 3.952 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)c2cc(O)cc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000589197246 854743808 /nfs/dbraw/zinc/74/38/08/854743808.db2.gz OVTOUEGBACLIAV-RBUKOAKNSA-N 1 2 387.842 3.622 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)c2cc(O)cc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000589197246 854743810 /nfs/dbraw/zinc/74/38/10/854743810.db2.gz OVTOUEGBACLIAV-RBUKOAKNSA-N 1 2 387.842 3.622 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186238833 854777444 /nfs/dbraw/zinc/77/74/44/854777444.db2.gz UBWAMZWGOAWOOS-GOSISDBHSA-N 1 2 389.499 3.878 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186238833 854777449 /nfs/dbraw/zinc/77/74/49/854777449.db2.gz UBWAMZWGOAWOOS-GOSISDBHSA-N 1 2 389.499 3.878 20 30 GHEDLO C=CCc1ccccc1OC[C@H](O)C[NH2+]C1(c2noc(C)n2)CCCCCC1 ZINC000157907550 862620957 /nfs/dbraw/zinc/62/09/57/862620957.db2.gz WNGYEIVQWWRTPX-LJQANCHMSA-N 1 2 385.508 3.686 20 30 GHEDLO N#Cc1ccncc1N1CC[NH+](Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000520504483 855547675 /nfs/dbraw/zinc/54/76/75/855547675.db2.gz FKMMXSXVCXHMAZ-UHFFFAOYSA-N 1 2 379.464 3.538 20 30 GHEDLO C=CCCOCC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000590893620 855635970 /nfs/dbraw/zinc/63/59/70/855635970.db2.gz DMEDPUOBFAPBJU-UHFFFAOYSA-N 1 2 375.472 3.807 20 30 GHEDLO N#Cc1ccnc(N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)c1[N+](=O)[O-] ZINC000301637653 855730589 /nfs/dbraw/zinc/73/05/89/855730589.db2.gz FNPNBVOVRCQOLT-OAHLLOKOSA-N 1 2 389.818 3.730 20 30 GHEDLO N#Cc1ccnc(N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)c1[N+](=O)[O-] ZINC000301637653 855730593 /nfs/dbraw/zinc/73/05/93/855730593.db2.gz FNPNBVOVRCQOLT-OAHLLOKOSA-N 1 2 389.818 3.730 20 30 GHEDLO N#Cc1c(Cl)nsc1NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000301719925 855746579 /nfs/dbraw/zinc/74/65/79/855746579.db2.gz PPWWGPBQZUIYFT-UHFFFAOYSA-N 1 2 382.320 3.556 20 30 GHEDLO COc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507784473 855775944 /nfs/dbraw/zinc/77/59/44/855775944.db2.gz LZNWXIJYKOYINE-UHFFFAOYSA-N 1 2 399.878 3.702 20 30 GHEDLO CC(=O)c1ccc(C#N)c(N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c1 ZINC000302117510 855818407 /nfs/dbraw/zinc/81/84/07/855818407.db2.gz SCGPIBWHUOLNBI-UHFFFAOYSA-N 1 2 383.879 3.615 20 30 GHEDLO C[N@@H+]1CCO[C@H]([C@H](Nc2cc(C#N)ccc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000302212614 855840667 /nfs/dbraw/zinc/84/06/67/855840667.db2.gz NBVGEDRHRNILRY-RBUKOAKNSA-N 1 2 386.839 3.604 20 30 GHEDLO C[N@H+]1CCO[C@H]([C@H](Nc2cc(C#N)ccc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000302212614 855840674 /nfs/dbraw/zinc/84/06/74/855840674.db2.gz NBVGEDRHRNILRY-RBUKOAKNSA-N 1 2 386.839 3.604 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000108358636 855844295 /nfs/dbraw/zinc/84/42/95/855844295.db2.gz DXCYJOGLJLRTOX-INIZCTEOSA-N 1 2 378.501 3.881 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000108358636 855844303 /nfs/dbraw/zinc/84/43/03/855844303.db2.gz DXCYJOGLJLRTOX-INIZCTEOSA-N 1 2 378.501 3.881 20 30 GHEDLO CC(C)c1[nH+]ccn1Cc1cccc(NS(=O)(=O)c2cccc(C#N)c2)c1 ZINC000108638677 855964241 /nfs/dbraw/zinc/96/42/41/855964241.db2.gz UDKYMHMKDZCUNY-UHFFFAOYSA-N 1 2 380.473 3.727 20 30 GHEDLO COc1ccc(Cl)cc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000043169212 856644279 /nfs/dbraw/zinc/64/42/79/856644279.db2.gz UWPTVNOOUZLGOX-UHFFFAOYSA-N 1 2 384.867 3.570 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)Nc2cccc(C#N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000592267974 857014452 /nfs/dbraw/zinc/01/44/52/857014452.db2.gz KDWWDOWARCGWLV-WMZOPIPTSA-N 1 2 387.846 3.703 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)Nc2cccc(C#N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000592267974 857014461 /nfs/dbraw/zinc/01/44/61/857014461.db2.gz KDWWDOWARCGWLV-WMZOPIPTSA-N 1 2 387.846 3.703 20 30 GHEDLO C[N@@H+]1CCO[C@@H]([C@@H](Nc2ncc(C#N)cc2Cl)c2ccc(Cl)cc2)C1 ZINC000245666089 857071635 /nfs/dbraw/zinc/07/16/35/857071635.db2.gz BHISLMCPFNXMQD-SJORKVTESA-N 1 2 377.275 3.744 20 30 GHEDLO C[N@H+]1CCO[C@@H]([C@@H](Nc2ncc(C#N)cc2Cl)c2ccc(Cl)cc2)C1 ZINC000245666089 857071643 /nfs/dbraw/zinc/07/16/43/857071643.db2.gz BHISLMCPFNXMQD-SJORKVTESA-N 1 2 377.275 3.744 20 30 GHEDLO CC[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1cc(F)cc(Br)c1 ZINC000485841378 857137115 /nfs/dbraw/zinc/13/71/15/857137115.db2.gz AFZHGOVUBKVSEE-DLBZAZTESA-N 1 2 390.256 3.727 20 30 GHEDLO CC(C)O[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000593054206 857203462 /nfs/dbraw/zinc/20/34/62/857203462.db2.gz CDVIFETZKCXVFS-SJORKVTESA-N 1 2 375.538 3.766 20 30 GHEDLO CC(C)O[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000593054206 857203468 /nfs/dbraw/zinc/20/34/68/857203468.db2.gz CDVIFETZKCXVFS-SJORKVTESA-N 1 2 375.538 3.766 20 30 GHEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000593055664 857204634 /nfs/dbraw/zinc/20/46/34/857204634.db2.gz YKMBQFPLSXFTQP-JTQLQIEISA-N 1 2 389.780 3.905 20 30 GHEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@@H](c4ccn[nH]4)C3)sc2C1 ZINC000246079827 857226376 /nfs/dbraw/zinc/22/63/76/857226376.db2.gz DFQOAVURCQSYNL-HUUCEWRRSA-N 1 2 397.548 3.676 20 30 GHEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCC[C@@H](c4ccn[nH]4)C3)sc2C1 ZINC000246079827 857226384 /nfs/dbraw/zinc/22/63/84/857226384.db2.gz DFQOAVURCQSYNL-HUUCEWRRSA-N 1 2 397.548 3.676 20 30 GHEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@H]2Cc2c(F)cccc2Cl)cc1 ZINC000521188193 857709483 /nfs/dbraw/zinc/70/94/83/857709483.db2.gz PTYHQYGRODRRFA-KRWDZBQOSA-N 1 2 385.870 3.674 20 30 GHEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]2Cc2c(F)cccc2Cl)cc1 ZINC000521188193 857709491 /nfs/dbraw/zinc/70/94/91/857709491.db2.gz PTYHQYGRODRRFA-KRWDZBQOSA-N 1 2 385.870 3.674 20 30 GHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000109103687 857754077 /nfs/dbraw/zinc/75/40/77/857754077.db2.gz UBVMHPNLQVAOIV-HSZRJFAPSA-N 1 2 392.478 3.754 20 30 GHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000109103687 857754081 /nfs/dbraw/zinc/75/40/81/857754081.db2.gz UBVMHPNLQVAOIV-HSZRJFAPSA-N 1 2 392.478 3.754 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594026526 857844164 /nfs/dbraw/zinc/84/41/64/857844164.db2.gz LJWMJXYTWKPSIB-FUHWJXTLSA-N 1 2 387.549 3.910 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594026526 857844174 /nfs/dbraw/zinc/84/41/74/857844174.db2.gz LJWMJXYTWKPSIB-FUHWJXTLSA-N 1 2 387.549 3.910 20 30 GHEDLO C[C@H]([NH2+][C@H](Cc1ccccc1)c1ncco1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000594053391 857855806 /nfs/dbraw/zinc/85/58/06/857855806.db2.gz AGPKDDRUKMUUBE-MCGOBGFWSA-N 1 2 394.519 3.867 20 30 GHEDLO N#Cc1cccc([C@@H]2C[C@H]2c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)c1 ZINC000574666558 858112235 /nfs/dbraw/zinc/11/22/35/858112235.db2.gz OHCDHFOJUNUORD-LEWJYISDSA-N 1 2 386.455 3.712 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@@]2(C#N)CC23CCCC3)[C@@H](C)C1 ZINC001128412667 858265642 /nfs/dbraw/zinc/26/56/42/858265642.db2.gz ZZILGBLVWNYJIR-MBSDFSHPSA-N 1 2 381.520 3.592 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@@]2(C#N)CC23CCCC3)[C@@H](C)C1 ZINC001128412667 858265649 /nfs/dbraw/zinc/26/56/49/858265649.db2.gz ZZILGBLVWNYJIR-MBSDFSHPSA-N 1 2 381.520 3.592 20 30 GHEDLO Cc1ccc(-c2nnc([C@H](C)O[NH+]=C(N)c3ccc4c(c3)CCO4)o2)cc1C ZINC000158151051 858477060 /nfs/dbraw/zinc/47/70/60/858477060.db2.gz YUKJCGUDWAQCPH-AWEZNQCLSA-N 1 2 378.432 3.686 20 30 GHEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)Nc2ccc(OC3CCC3)c(F)c2)CCO1 ZINC000330348262 863031103 /nfs/dbraw/zinc/03/11/03/863031103.db2.gz IOFBEPMBEPWEAW-KUHUBIRLSA-N 1 2 388.443 3.546 20 30 GHEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000575054387 858506393 /nfs/dbraw/zinc/50/63/93/858506393.db2.gz VZIUFROOWHBBFB-QGZVFWFLSA-N 1 2 375.472 3.575 20 30 GHEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000575054387 858506399 /nfs/dbraw/zinc/50/63/99/858506399.db2.gz VZIUFROOWHBBFB-QGZVFWFLSA-N 1 2 375.472 3.575 20 30 GHEDLO CC(C)(C)OC(=O)C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C1CCOCC1 ZINC000595539052 858543940 /nfs/dbraw/zinc/54/39/40/858543940.db2.gz FACPNXNJRPVMFA-UHFFFAOYSA-N 1 2 398.425 3.900 20 30 GHEDLO CC(C)(C)OC(=O)C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C1CCOCC1 ZINC000595539052 858543948 /nfs/dbraw/zinc/54/39/48/858543948.db2.gz FACPNXNJRPVMFA-UHFFFAOYSA-N 1 2 398.425 3.900 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H](CC#N)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000595579594 858558457 /nfs/dbraw/zinc/55/84/57/858558457.db2.gz KRBPIOWMHTVWIN-IXDGSTSKSA-N 1 2 394.441 3.574 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H](CC#N)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000595579594 858558458 /nfs/dbraw/zinc/55/84/58/858558458.db2.gz KRBPIOWMHTVWIN-IXDGSTSKSA-N 1 2 394.441 3.574 20 30 GHEDLO CC1(C)CO[C@H](c2cccc(F)c2)C[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000595760004 858660625 /nfs/dbraw/zinc/66/06/25/858660625.db2.gz PFBSDUGMNKIIHU-KRWDZBQOSA-N 1 2 387.480 3.940 20 30 GHEDLO CC1(C)CO[C@H](c2cccc(F)c2)C[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000595760004 858660631 /nfs/dbraw/zinc/66/06/31/858660631.db2.gz PFBSDUGMNKIIHU-KRWDZBQOSA-N 1 2 387.480 3.940 20 30 GHEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCc2cc(C#N)ccc2F)C[C@H](C)O1 ZINC000466195637 858679208 /nfs/dbraw/zinc/67/92/08/858679208.db2.gz OFDKKHOAMMQFOZ-HOTGVXAUSA-N 1 2 396.466 3.628 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595781059 858685383 /nfs/dbraw/zinc/68/53/83/858685383.db2.gz PXJLNGWOEOKQHK-ILXRZTDVSA-N 1 2 375.538 3.715 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595781059 858685387 /nfs/dbraw/zinc/68/53/87/858685387.db2.gz PXJLNGWOEOKQHK-ILXRZTDVSA-N 1 2 375.538 3.715 20 30 GHEDLO N#Cc1ccc(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)cc1Cl ZINC000059936132 858748613 /nfs/dbraw/zinc/74/86/13/858748613.db2.gz FOQIXDRSEWYVCO-UHFFFAOYSA-N 1 2 393.834 3.689 20 30 GHEDLO CC(C)n1cc2cc(NC(=O)N[C@@H]3CCO[C@H](c4c[nH+]cn4C)C3)ccc2n1 ZINC000330357872 863065287 /nfs/dbraw/zinc/06/52/87/863065287.db2.gz UBZZNFLTAXLDGE-APWZRJJASA-N 1 2 382.468 3.597 20 30 GHEDLO C[C@H](CC#N)[N@H+](C)CCOc1c(Br)cccc1Br ZINC000482741228 858812378 /nfs/dbraw/zinc/81/23/78/858812378.db2.gz KZGCYZRVKPOXPH-SNVBAGLBSA-N 1 2 376.092 3.824 20 30 GHEDLO C[C@H](CC#N)[N@@H+](C)CCOc1c(Br)cccc1Br ZINC000482741228 858812382 /nfs/dbraw/zinc/81/23/82/858812382.db2.gz KZGCYZRVKPOXPH-SNVBAGLBSA-N 1 2 376.092 3.824 20 30 GHEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000482766700 858848585 /nfs/dbraw/zinc/84/85/85/858848585.db2.gz YVHWXSORGXTGPF-UHFFFAOYSA-N 1 2 396.539 3.616 20 30 GHEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2cc(F)c(C#N)c(F)c2)C[C@H](C)O1 ZINC000596826737 859111072 /nfs/dbraw/zinc/11/10/72/859111072.db2.gz BZVOZFXWVIAXNV-KBPBESRZSA-N 1 2 385.414 3.698 20 30 GHEDLO C[N@H+](CC(=O)Nc1sccc1C#N)Cc1ccc(Br)c(F)c1 ZINC000494264458 881386865 /nfs/dbraw/zinc/38/68/65/881386865.db2.gz HJUPZGCRIHTDIM-UHFFFAOYSA-N 1 2 382.258 3.592 20 30 GHEDLO C[N@@H+](CC(=O)Nc1sccc1C#N)Cc1ccc(Br)c(F)c1 ZINC000494264458 881386904 /nfs/dbraw/zinc/38/69/04/881386904.db2.gz HJUPZGCRIHTDIM-UHFFFAOYSA-N 1 2 382.258 3.592 20 30 GHEDLO N#CC1(CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CCCCC1 ZINC000596861185 859142022 /nfs/dbraw/zinc/14/20/22/859142022.db2.gz FDRYDRUBGGUZCK-PMACEKPBSA-N 1 2 377.492 3.885 20 30 GHEDLO CSc1c(F)cccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000596970669 859202281 /nfs/dbraw/zinc/20/22/81/859202281.db2.gz KIEUKJNWVMADAM-UHFFFAOYSA-N 1 2 384.480 3.769 20 30 GHEDLO N#Cc1ccc([C@H]([NH2+]Cc2ccccc2Oc2cccc(F)c2)C(N)=O)cc1 ZINC000522376271 859254692 /nfs/dbraw/zinc/25/46/92/859254692.db2.gz NKZFOSTXXWVGTO-NRFANRHFSA-N 1 2 375.403 3.806 20 30 GHEDLO CC(C)C[C@@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)n1cc[nH+]c1 ZINC000602139161 859802290 /nfs/dbraw/zinc/80/22/90/859802290.db2.gz HAARNCAXOCXFQL-FQEVSTJZSA-N 1 2 393.491 3.692 20 30 GHEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000611552717 859809516 /nfs/dbraw/zinc/80/95/16/859809516.db2.gz JDODMOJXQDIHFR-JOCHJYFZSA-N 1 2 376.435 3.863 20 30 GHEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc(F)cc2OCC#N)CC1 ZINC000765221912 859845690 /nfs/dbraw/zinc/84/56/90/859845690.db2.gz CZMRJFTYFVWOAF-AWEZNQCLSA-N 1 2 388.468 3.700 20 30 GHEDLO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161334908 859864570 /nfs/dbraw/zinc/86/45/70/859864570.db2.gz ZLBIMCUECUTPCT-LJQANCHMSA-N 1 2 386.455 3.843 20 30 GHEDLO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000123413724 859956040 /nfs/dbraw/zinc/95/60/40/859956040.db2.gz QRKAPVPDAIBFBA-HXUWFJFHSA-N 1 2 397.544 3.604 20 30 GHEDLO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000123413724 859956050 /nfs/dbraw/zinc/95/60/50/859956050.db2.gz QRKAPVPDAIBFBA-HXUWFJFHSA-N 1 2 397.544 3.604 20 30 GHEDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000728083521 860372281 /nfs/dbraw/zinc/37/22/81/860372281.db2.gz AAGVNGVGONACQP-FQEVSTJZSA-N 1 2 392.459 3.771 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3(c4cccc(Cl)c4)CCC3)CC2)cc1 ZINC000603447625 860729490 /nfs/dbraw/zinc/72/94/90/860729490.db2.gz SJXPXSOONSTXIT-UHFFFAOYSA-N 1 2 393.918 3.978 20 30 GHEDLO Cc1ccccc1-c1nc(=NC2CC[NH+](Cc3cccc(C#N)c3)CC2)s[nH]1 ZINC000599098402 860795177 /nfs/dbraw/zinc/79/51/77/860795177.db2.gz TVBXLCOKHPWUFS-UHFFFAOYSA-N 1 2 389.528 3.884 20 30 GHEDLO CCOC(=O)CCOc1ccc(C(C)=NNc2cc[nH+]c3ccccc23)cc1 ZINC000730148393 860898536 /nfs/dbraw/zinc/89/85/36/860898536.db2.gz SQLSQNIQFQHFKR-UHFFFAOYSA-N 1 2 377.444 3.825 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C(C)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000329117361 861034143 /nfs/dbraw/zinc/03/41/43/861034143.db2.gz UMJLWHUCIOQDKS-FHWLQOOXSA-N 1 2 395.906 3.972 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C(C)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000329117361 861034156 /nfs/dbraw/zinc/03/41/56/861034156.db2.gz UMJLWHUCIOQDKS-FHWLQOOXSA-N 1 2 395.906 3.972 20 30 GHEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC000455936131 863879706 /nfs/dbraw/zinc/87/97/06/863879706.db2.gz BYONWTYLIINJMX-INIZCTEOSA-N 1 2 396.516 3.552 20 30 GHEDLO C[C@H]1COCC[N@H+]1CCNC(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC000455936131 863879717 /nfs/dbraw/zinc/87/97/17/863879717.db2.gz BYONWTYLIINJMX-INIZCTEOSA-N 1 2 396.516 3.552 20 30 GHEDLO N#Cc1ccc(CN2CC[NH+]([C@@H](CO)c3ccc(Cl)cc3)CC2)c(Cl)c1 ZINC000615224780 863960785 /nfs/dbraw/zinc/96/07/85/863960785.db2.gz FHZIBVWASBQFEK-FQEVSTJZSA-N 1 2 390.314 3.716 20 30 GHEDLO C=CC[C@@H](NC(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1)c1ccncc1 ZINC000734682387 864380463 /nfs/dbraw/zinc/38/04/63/864380463.db2.gz COBVBUPIFBOWSJ-PGRDOPGGSA-N 1 2 394.519 3.796 20 30 GHEDLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C#N)cc1C ZINC000439789415 864451042 /nfs/dbraw/zinc/45/10/42/864451042.db2.gz ZPWPPDWOBFRPTI-GAJHUEQPSA-N 1 2 390.531 3.943 20 30 GHEDLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C#N)cc1C ZINC000439789415 864451049 /nfs/dbraw/zinc/45/10/49/864451049.db2.gz ZPWPPDWOBFRPTI-GAJHUEQPSA-N 1 2 390.531 3.943 20 30 GHEDLO Cc1[nH+]cc(CN=Nc2cc(C)nc(C)n2)n1-c1ccc(Br)cc1 ZINC000734979911 864559480 /nfs/dbraw/zinc/55/94/80/864559480.db2.gz LQMKHJGAWRHWSI-UHFFFAOYSA-N 1 2 385.269 3.796 20 30 GHEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000475291403 864723841 /nfs/dbraw/zinc/72/38/41/864723841.db2.gz NPWVOEPUHYPVEA-IBGZPJMESA-N 1 2 393.487 3.552 20 30 GHEDLO N#Cc1ccc(CN2CC[NH+](Cc3cc(-c4ccc(F)cc4)no3)CC2)cc1 ZINC000042122226 864946832 /nfs/dbraw/zinc/94/68/32/864946832.db2.gz BESOCDXTRLRBEZ-UHFFFAOYSA-N 1 2 376.435 3.670 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(Cc3cc(-c4ccc(F)cc4)no3)CC2)cc1 ZINC000042122226 864946842 /nfs/dbraw/zinc/94/68/42/864946842.db2.gz BESOCDXTRLRBEZ-UHFFFAOYSA-N 1 2 376.435 3.670 20 30 GHEDLO COCCOc1ccc(C(=O)/C=C/c2c[nH+]c3ccc(Cl)cn23)cc1OC ZINC000737445411 865397871 /nfs/dbraw/zinc/39/78/71/865397871.db2.gz ZDNNQYYYSVXTOE-AATRIKPKSA-N 1 2 386.835 3.918 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+](CC)C[C@@H]2CCOC2)c1=S ZINC000738083895 865482361 /nfs/dbraw/zinc/48/23/61/865482361.db2.gz YFKPJTFVUXMXAC-HNNXBMFYSA-N 1 2 376.501 3.722 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+](CC)C[C@@H]2CCOC2)c1=S ZINC000738083895 865482369 /nfs/dbraw/zinc/48/23/69/865482369.db2.gz YFKPJTFVUXMXAC-HNNXBMFYSA-N 1 2 376.501 3.722 20 30 GHEDLO C=CCn1c([C@@H]2COc3ccccc3O2)nn(C[N@@H+]2C[C@@H](C)C[C@@H]2C)c1=S ZINC000740861570 866046524 /nfs/dbraw/zinc/04/65/24/866046524.db2.gz PFDDXGXHSYEJOH-MPGHIAIKSA-N 1 2 386.521 3.800 20 30 GHEDLO C=CCn1c([C@@H]2COc3ccccc3O2)nn(C[N@H+]2C[C@@H](C)C[C@@H]2C)c1=S ZINC000740861570 866046540 /nfs/dbraw/zinc/04/65/40/866046540.db2.gz PFDDXGXHSYEJOH-MPGHIAIKSA-N 1 2 386.521 3.800 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1C ZINC000740880611 866065148 /nfs/dbraw/zinc/06/51/48/866065148.db2.gz ZBHVORXZRCFISL-BEFAXECRSA-N 1 2 389.540 3.709 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1C ZINC000740880611 866065165 /nfs/dbraw/zinc/06/51/65/866065165.db2.gz ZBHVORXZRCFISL-BEFAXECRSA-N 1 2 389.540 3.709 20 30 GHEDLO Cc1cccn2c(/C=C/C(=O)c3ccc(S(=O)(=O)C(F)F)cc3)c[nH+]c12 ZINC000741468663 866531399 /nfs/dbraw/zinc/53/13/99/866531399.db2.gz XBKLFTIZIQLUPN-RMKNXTFCSA-N 1 2 376.384 3.535 20 30 GHEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)OCC ZINC000534423813 866774242 /nfs/dbraw/zinc/77/42/42/866774242.db2.gz IMBXJBQULQXNEW-IEBWSBKVSA-N 1 2 382.907 3.931 20 30 GHEDLO C=C(C)[C@@H](CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)OCC ZINC000534423813 866774248 /nfs/dbraw/zinc/77/42/48/866774248.db2.gz IMBXJBQULQXNEW-IEBWSBKVSA-N 1 2 382.907 3.931 20 30 GHEDLO C#CCOc1ccc(F)cc1NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000743202825 867954608 /nfs/dbraw/zinc/95/46/08/867954608.db2.gz QGHIZPKLQQPOMQ-SFHVURJKSA-N 1 2 392.434 3.677 20 30 GHEDLO C[C@H]1C(=O)N(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)[C@H]1c1ccccc1 ZINC000743362230 868112517 /nfs/dbraw/zinc/11/25/17/868112517.db2.gz JQWMDVMPORCSPF-VGOFRKELSA-N 1 2 375.472 3.579 20 30 GHEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H](c3ccccc3)OC[C@H]2C)c(OC)c1 ZINC000524177898 868659799 /nfs/dbraw/zinc/65/97/99/868659799.db2.gz QKOXDVLQYRTFMM-JLGINSKQSA-N 1 2 397.515 3.625 20 30 GHEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2C[C@@H](c3ccccc3)OC[C@H]2C)c(OC)c1 ZINC000524177898 868659805 /nfs/dbraw/zinc/65/98/05/868659805.db2.gz QKOXDVLQYRTFMM-JLGINSKQSA-N 1 2 397.515 3.625 20 30 GHEDLO COC(=O)[C@H](c1ccc(C#N)cc1)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000744411830 868820474 /nfs/dbraw/zinc/82/04/74/868820474.db2.gz STQJEGBFZQLRNL-IERDGZPVSA-N 1 2 397.906 3.805 20 30 GHEDLO N#Cc1c(=O)n(C[N@H+](CCc2ccccc2)Cc2cccnc2)cc2c1CCCC2 ZINC000793491967 882243868 /nfs/dbraw/zinc/24/38/68/882243868.db2.gz YKTNCSGJKOVEPX-UHFFFAOYSA-N 1 2 398.510 3.696 20 30 GHEDLO N#Cc1c(=O)n(C[N@@H+](CCc2ccccc2)Cc2cccnc2)cc2c1CCCC2 ZINC000793491967 882243878 /nfs/dbraw/zinc/24/38/78/882243878.db2.gz YKTNCSGJKOVEPX-UHFFFAOYSA-N 1 2 398.510 3.696 20 30 GHEDLO C/C(=C\c1ccccc1C(F)(F)F)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000503954320 869035004 /nfs/dbraw/zinc/03/50/04/869035004.db2.gz VMYDPXDUQMLIKC-BMRADRMJSA-N 1 2 381.442 3.657 20 30 GHEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(Br)cc3F)C2)nc1 ZINC000428787282 869292892 /nfs/dbraw/zinc/29/28/92/869292892.db2.gz KAFQENHATUTFHL-HNNXBMFYSA-N 1 2 376.229 3.508 20 30 GHEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(Br)cc3F)C2)nc1 ZINC000428787282 869292903 /nfs/dbraw/zinc/29/29/03/869292903.db2.gz KAFQENHATUTFHL-HNNXBMFYSA-N 1 2 376.229 3.508 20 30 GHEDLO CCc1ccc(C[NH+]2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)nc1 ZINC001193032035 870855300 /nfs/dbraw/zinc/85/53/00/870855300.db2.gz AXTRWFPAAMLFFE-HXUWFJFHSA-N 1 2 399.336 3.789 20 30 GHEDLO CCCCCCCOC(=O)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001194003231 871425905 /nfs/dbraw/zinc/42/59/05/871425905.db2.gz ODJCVSWVSCEZMS-UHFFFAOYSA-N 1 2 375.513 3.860 20 30 GHEDLO C[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1c(F)cccc1Cl ZINC000181750681 871443430 /nfs/dbraw/zinc/44/34/30/871443430.db2.gz ZPENYUKTFRPFKC-ZDUSSCGKSA-N 1 2 397.841 3.826 20 30 GHEDLO CC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccc(OC)c(OC)c1 ZINC000441247619 871483099 /nfs/dbraw/zinc/48/30/99/871483099.db2.gz RZMRICOYPRLEOT-UHFFFAOYSA-N 1 2 378.432 3.648 20 30 GHEDLO CC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccc(OC)c(OC)c1 ZINC000441247619 871483108 /nfs/dbraw/zinc/48/31/08/871483108.db2.gz RZMRICOYPRLEOT-UHFFFAOYSA-N 1 2 378.432 3.648 20 30 GHEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(F)c(Br)c3)C2)nc1 ZINC000428811247 871546276 /nfs/dbraw/zinc/54/62/76/871546276.db2.gz UTMRGRQFTOUZSU-AWEZNQCLSA-N 1 2 376.229 3.508 20 30 GHEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(F)c(Br)c3)C2)nc1 ZINC000428811247 871546292 /nfs/dbraw/zinc/54/62/92/871546292.db2.gz UTMRGRQFTOUZSU-AWEZNQCLSA-N 1 2 376.229 3.508 20 30 GHEDLO C[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1cccc(N2CCCC2=O)c1 ZINC000539310592 871668943 /nfs/dbraw/zinc/66/89/43/871668943.db2.gz ZSMAIZUQYTZDCT-HNNXBMFYSA-N 1 2 387.443 3.586 20 30 GHEDLO CCCCCCCCCCOC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001194923272 872033422 /nfs/dbraw/zinc/03/34/22/872033422.db2.gz JHTXPZBLTACPTJ-UHFFFAOYSA-N 1 2 380.533 3.905 20 30 GHEDLO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(c2ccccc2Br)CC1 ZINC000526061717 872061873 /nfs/dbraw/zinc/06/18/73/872061873.db2.gz PEBOUESVQOVCSA-AWEZNQCLSA-N 1 2 390.325 3.579 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2CC(c3nc4ccccc4[nH]3)C2)cc1 ZINC000766934765 872082166 /nfs/dbraw/zinc/08/21/66/872082166.db2.gz DAGHUMBNJCKGTC-KRWDZBQOSA-N 1 2 387.487 3.606 20 30 GHEDLO N#C[C@@H]1C[N@@H+](CCCc2c(F)cccc2Cl)C[C@@]12C(=O)Nc1ccccc12 ZINC000447728036 872166321 /nfs/dbraw/zinc/16/63/21/872166321.db2.gz KKKPPPOKPPCOKI-SPLOXXLWSA-N 1 2 383.854 3.757 20 30 GHEDLO N#C[C@@H]1C[N@H+](CCCc2c(F)cccc2Cl)C[C@@]12C(=O)Nc1ccccc12 ZINC000447728036 872166336 /nfs/dbraw/zinc/16/63/36/872166336.db2.gz KKKPPPOKPPCOKI-SPLOXXLWSA-N 1 2 383.854 3.757 20 30 GHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000478006531 872305761 /nfs/dbraw/zinc/30/57/61/872305761.db2.gz ZSRPVSKUHWALAN-LJQANCHMSA-N 1 2 379.426 3.849 20 30 GHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000478006531 872305771 /nfs/dbraw/zinc/30/57/71/872305771.db2.gz ZSRPVSKUHWALAN-LJQANCHMSA-N 1 2 379.426 3.849 20 30 GHEDLO CC(C)c1nnc(CC2CC[NH+](Cc3cc(Cl)ccc3OCC#N)CC2)[nH]1 ZINC001195694656 872588094 /nfs/dbraw/zinc/58/80/94/872588094.db2.gz PVQAMHKDMDKWAR-UHFFFAOYSA-N 1 2 387.915 3.939 20 30 GHEDLO CC(C)c1nc(CC2CC[NH+](Cc3cc(Cl)ccc3OCC#N)CC2)n[nH]1 ZINC001195694656 872588105 /nfs/dbraw/zinc/58/81/05/872588105.db2.gz PVQAMHKDMDKWAR-UHFFFAOYSA-N 1 2 387.915 3.939 20 30 GHEDLO N#Cc1c(F)cccc1Oc1ccc(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000767533243 872602382 /nfs/dbraw/zinc/60/23/82/872602382.db2.gz AXWWMVBGQSKRFI-HDICACEKSA-N 1 2 396.418 3.510 20 30 GHEDLO N#Cc1c(F)cccc1Oc1ccc(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000767533243 872602390 /nfs/dbraw/zinc/60/23/90/872602390.db2.gz AXWWMVBGQSKRFI-HDICACEKSA-N 1 2 396.418 3.510 20 30 GHEDLO Cc1cc(F)cc([C@@]2(F)CC[N@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)c1 ZINC000619723805 872922320 /nfs/dbraw/zinc/92/23/20/872922320.db2.gz ZGROYAMILHXZTF-IFMALSPDSA-N 1 2 386.442 3.511 20 30 GHEDLO Cc1cc(F)cc([C@@]2(F)CC[N@@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)c1 ZINC000619723805 872922325 /nfs/dbraw/zinc/92/23/25/872922325.db2.gz ZGROYAMILHXZTF-IFMALSPDSA-N 1 2 386.442 3.511 20 30 GHEDLO COc1cc(C[NH+]2CCN([C@@H](C#N)c3ccc(Cl)cc3)CC2)cc(OC)c1 ZINC000619847307 873073320 /nfs/dbraw/zinc/07/33/20/873073320.db2.gz QYJDDKGVFRNTFL-NRFANRHFSA-N 1 2 385.895 3.740 20 30 GHEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000921209831 882692630 /nfs/dbraw/zinc/69/26/30/882692630.db2.gz RNJMBIVIIKNVOC-QGZVFWFLSA-N 1 2 385.533 3.600 20 30 GHEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000921209831 882692635 /nfs/dbraw/zinc/69/26/35/882692635.db2.gz RNJMBIVIIKNVOC-QGZVFWFLSA-N 1 2 385.533 3.600 20 30 GHEDLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)c1cc(-c2cccc(C#N)c2)on1 ZINC001196765479 873337110 /nfs/dbraw/zinc/33/71/10/873337110.db2.gz RXASDCJLTJJZSW-UHFFFAOYSA-N 1 2 383.411 3.671 20 30 GHEDLO N#Cc1ccc(-c2ccc(C(=O)N3CC[N@@H+]4CCc5ccccc5[C@H]4C3)o2)cc1 ZINC001197393002 873763771 /nfs/dbraw/zinc/76/37/71/873763771.db2.gz FOHMDEVYXBPMHW-OAQYLSRUSA-N 1 2 383.451 3.873 20 30 GHEDLO N#Cc1ccc(-c2ccc(C(=O)N3CC[N@H+]4CCc5ccccc5[C@H]4C3)o2)cc1 ZINC001197393002 873763775 /nfs/dbraw/zinc/76/37/75/873763775.db2.gz FOHMDEVYXBPMHW-OAQYLSRUSA-N 1 2 383.451 3.873 20 30 GHEDLO C#C[C@@H]([NH2+]Cc1nc(=O)c2c([nH]1)sc(C)c2-c1ccc(C)cc1)[C@H]1CCCO1 ZINC000775786025 874024103 /nfs/dbraw/zinc/02/41/03/874024103.db2.gz UXUMTZJJJMJSHF-IAGOWNOFSA-N 1 2 393.512 3.951 20 30 GHEDLO CC(C)(C)n1ncc2c1nc(N=NC1CCCC[C@H]1[NH+]1CCCCCC1)[nH]c2=O ZINC000769811680 874301864 /nfs/dbraw/zinc/30/18/64/874301864.db2.gz CASVHYQPQCBTCD-QGZVFWFLSA-N 1 2 399.543 3.873 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(Cc3ccc(Br)s3)CC2)cc1 ZINC000023332655 874489809 /nfs/dbraw/zinc/48/98/09/874489809.db2.gz ZAAMYUAYWIICPN-UHFFFAOYSA-N 1 2 376.323 3.700 20 30 GHEDLO Cc1oc(NC(=O)C[NH+]2CCC(c3ccc(N(C)C)cc3)CC2)c(C#N)c1C ZINC000775879666 874510905 /nfs/dbraw/zinc/51/09/05/874510905.db2.gz ATGBTLRHZMEJHA-UHFFFAOYSA-N 1 2 380.492 3.652 20 30 GHEDLO CCOC(=O)C1(C(=O)c2ccccc2)CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000449414872 874809844 /nfs/dbraw/zinc/80/98/44/874809844.db2.gz XXCXMJRRALWDCB-UHFFFAOYSA-N 1 2 376.456 3.586 20 30 GHEDLO C#CCOc1ccccc1NC(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000776099260 875341047 /nfs/dbraw/zinc/34/10/47/875341047.db2.gz XWFXDBISOVKPQJ-UHFFFAOYSA-N 1 2 383.517 3.672 20 30 GHEDLO CCOC(=O)CCOc1ccc(C(=O)/C=C\c2c[nH+]c3ccc(C)cn23)cc1 ZINC000771858251 875521135 /nfs/dbraw/zinc/52/11/35/875521135.db2.gz ITYCMDOVMSMBFE-YFHOEESVSA-N 1 2 378.428 3.871 20 30 GHEDLO CCOC(=O)[C@H](c1ccc(Cl)cc1)[N@H+](CC)C[C@H](O)c1ccc(C#N)cc1 ZINC000772297748 875852839 /nfs/dbraw/zinc/85/28/39/875852839.db2.gz LZWNNKAOFINORB-PMACEKPBSA-N 1 2 386.879 3.871 20 30 GHEDLO CCOC(=O)[C@H](c1ccc(Cl)cc1)[N@@H+](CC)C[C@H](O)c1ccc(C#N)cc1 ZINC000772297748 875852841 /nfs/dbraw/zinc/85/28/41/875852841.db2.gz LZWNNKAOFINORB-PMACEKPBSA-N 1 2 386.879 3.871 20 30 GHEDLO N#CCSc1ccccc1NC(=O)C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000302907091 876510439 /nfs/dbraw/zinc/51/04/39/876510439.db2.gz CIACYIJNBCCFCW-UHFFFAOYSA-N 1 2 395.528 3.922 20 30 GHEDLO C[C@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)[NH+]1CCSCC1 ZINC000152127493 876923628 /nfs/dbraw/zinc/92/36/28/876923628.db2.gz CXWGNFSZNWEJAE-OAHLLOKOSA-N 1 2 399.491 3.652 20 30 GHEDLO N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1F ZINC000153167560 877112401 /nfs/dbraw/zinc/11/24/01/877112401.db2.gz IKWNHSQAKIJWNR-CQSZACIVSA-N 1 2 376.391 3.887 20 30 GHEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCCN(c4ccccc4Cl)CC3)o2)c1 ZINC000451004672 877215999 /nfs/dbraw/zinc/21/59/99/877215999.db2.gz WAGWSLPYPGGIIC-UHFFFAOYSA-N 1 2 393.878 3.974 20 30 GHEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCCN(c4ccccc4Cl)CC3)o2)c1 ZINC000451004672 877216017 /nfs/dbraw/zinc/21/60/17/877216017.db2.gz WAGWSLPYPGGIIC-UHFFFAOYSA-N 1 2 393.878 3.974 20 30 GHEDLO N#CC[N@@H+](CCCOc1cccc(I)c1)C1CCCC1 ZINC000610003237 877277320 /nfs/dbraw/zinc/27/73/20/877277320.db2.gz CVGKQXPCIDEKHR-UHFFFAOYSA-N 1 2 384.261 3.828 20 30 GHEDLO N#CC[N@H+](CCCOc1cccc(I)c1)C1CCCC1 ZINC000610003237 877277339 /nfs/dbraw/zinc/27/73/39/877277339.db2.gz CVGKQXPCIDEKHR-UHFFFAOYSA-N 1 2 384.261 3.828 20 30 GHEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cc3oc4ccccc4c3cc2O)n1 ZINC000788369804 878036838 /nfs/dbraw/zinc/03/68/38/878036838.db2.gz MGBKQWDQMYDFGM-UHFFFAOYSA-N 1 2 389.455 3.770 20 30 GHEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cc3oc4ccccc4c3cc2O)n1 ZINC000788369804 878036853 /nfs/dbraw/zinc/03/68/53/878036853.db2.gz MGBKQWDQMYDFGM-UHFFFAOYSA-N 1 2 389.455 3.770 20 30 GHEDLO CO[C@@H]1CC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1(C)C ZINC000451562366 878200667 /nfs/dbraw/zinc/20/06/67/878200667.db2.gz JKFOURIMMAOFCA-QGZVFWFLSA-N 1 2 375.538 3.574 20 30 GHEDLO CO[C@@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1(C)C ZINC000451562366 878200687 /nfs/dbraw/zinc/20/06/87/878200687.db2.gz JKFOURIMMAOFCA-QGZVFWFLSA-N 1 2 375.538 3.574 20 30 GHEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000852330796 878248531 /nfs/dbraw/zinc/24/85/31/878248531.db2.gz GDFRGZGTRKRJAP-YLJYHZDGSA-N 1 2 389.421 3.561 20 30 GHEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000852330796 878248550 /nfs/dbraw/zinc/24/85/50/878248550.db2.gz GDFRGZGTRKRJAP-YLJYHZDGSA-N 1 2 389.421 3.561 20 30 GHEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000852333814 878252848 /nfs/dbraw/zinc/25/28/48/878252848.db2.gz WAGPCTIAFVWVFX-HKUYNNGSSA-N 1 2 375.394 3.691 20 30 GHEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000852333814 878252859 /nfs/dbraw/zinc/25/28/59/878252859.db2.gz WAGPCTIAFVWVFX-HKUYNNGSSA-N 1 2 375.394 3.691 20 30 GHEDLO COC(=O)c1ccc(C=NNc2cc[nH+]c3ccccc23)c(Br)c1 ZINC000789004629 878515950 /nfs/dbraw/zinc/51/59/50/878515950.db2.gz VWNOOAFMLQDBOQ-UHFFFAOYSA-N 1 2 384.233 3.652 20 30 GHEDLO CC(C)(C)OC(=O)NC1CC[NH+](Cc2nc(C#C[Si](C)(C)C)cs2)CC1 ZINC000853001366 878746369 /nfs/dbraw/zinc/74/63/69/878746369.db2.gz PVFWJXPVBRZXBK-UHFFFAOYSA-N 1 2 393.629 3.861 20 30 GHEDLO C#CCCCOc1ccc[nH+]c1NCc1cc(Cl)cc(S(=O)(=O)CC)c1 ZINC000853689398 879222930 /nfs/dbraw/zinc/22/29/30/879222930.db2.gz SGENVXHVCMAXEB-UHFFFAOYSA-N 1 2 392.908 3.933 20 30 GHEDLO Cc1[nH+]cn(-c2ccc(NS(=O)(=O)c3ccc(Cl)c(C#N)c3)cc2)c1C ZINC000461216548 879401522 /nfs/dbraw/zinc/40/15/22/879401522.db2.gz YOTNSXGHNQGMMG-UHFFFAOYSA-N 1 2 386.864 3.815 20 30 GHEDLO C[C@H]([NH2+]Cc1csc(CNC(=O)c2ccccc2)n1)c1cccc(C#N)c1 ZINC000538394675 879416109 /nfs/dbraw/zinc/41/61/09/879416109.db2.gz JZZRSEKXDYHAJY-HNNXBMFYSA-N 1 2 376.485 3.796 20 30 GHEDLO CC1(C)C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@@H]1c1ccncc1 ZINC000854042990 879470408 /nfs/dbraw/zinc/47/04/08/879470408.db2.gz YRYVTYOYPVGICV-LAUBAEHRSA-N 1 2 383.455 3.702 20 30 GHEDLO CC1(C)C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@@H]1c1ccncc1 ZINC000854042990 879470413 /nfs/dbraw/zinc/47/04/13/879470413.db2.gz YRYVTYOYPVGICV-LAUBAEHRSA-N 1 2 383.455 3.702 20 30 GHEDLO COCCN(C)c1ccc(C=[NH+]OCc2ccc(F)cc2Br)cn1 ZINC000790176472 879506621 /nfs/dbraw/zinc/50/66/21/879506621.db2.gz OWPXSEXHKFPCRL-UHFFFAOYSA-N 1 2 396.260 3.617 20 30 GHEDLO C[C@H]([NH2+]Cc1csc(CNC(=O)c2ccccc2)n1)c1ccc(C#N)c(F)c1 ZINC000538508279 879629565 /nfs/dbraw/zinc/62/95/65/879629565.db2.gz GIOGSDKSDMWWDM-AWEZNQCLSA-N 1 2 394.475 3.935 20 30 GHEDLO C=CCn1c([C@@H]2COc3ccccc3O2)nn(C[N@H+](CC)CC2CC2)c1=S ZINC000112200217 879765624 /nfs/dbraw/zinc/76/56/24/879765624.db2.gz PUVSRASCLVTNAS-SFHVURJKSA-N 1 2 386.521 3.802 20 30 GHEDLO C=CCn1c([C@@H]2COc3ccccc3O2)nn(C[N@@H+](CC)CC2CC2)c1=S ZINC000112200217 879765633 /nfs/dbraw/zinc/76/56/33/879765633.db2.gz PUVSRASCLVTNAS-SFHVURJKSA-N 1 2 386.521 3.802 20 30 GHEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2cc(F)c(C)c(Br)c2)C1=O ZINC001275212805 912645824 /nfs/dbraw/zinc/64/58/24/912645824.db2.gz LUEKKRIGHDCAOK-SFHVURJKSA-N 1 2 381.289 3.650 20 30 GHEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(F)c(C)c(Br)c2)C1=O ZINC001275212805 912645831 /nfs/dbraw/zinc/64/58/31/912645831.db2.gz LUEKKRIGHDCAOK-SFHVURJKSA-N 1 2 381.289 3.650 20 30 GHEDLO N#Cc1ccc(N2CCC([NH2+]c3ccc(N4CCC(O)CC4)cc3)CC2)cc1 ZINC000286265296 912657401 /nfs/dbraw/zinc/65/74/01/912657401.db2.gz VGFJJQQQAFCKDB-UHFFFAOYSA-N 1 2 376.504 3.600 20 30 GHEDLO N#Cc1ccc(N2CCC(Nc3ccc([NH+]4CCC(O)CC4)cc3)CC2)cc1 ZINC000286265296 912657413 /nfs/dbraw/zinc/65/74/13/912657413.db2.gz VGFJJQQQAFCKDB-UHFFFAOYSA-N 1 2 376.504 3.600 20 30 GHEDLO N#C[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1Br ZINC000609593048 883399555 /nfs/dbraw/zinc/39/95/55/883399555.db2.gz NOCBPCMUEIJPNW-GOSISDBHSA-N 1 2 395.260 3.689 20 30 GHEDLO COC(=O)c1cc2cc(C[N@@H+]3CCO[C@@H](c4cccc(C#N)c4)C3)ccc2o1 ZINC000761756726 884070172 /nfs/dbraw/zinc/07/01/72/884070172.db2.gz CXADJHVWKSYOHO-OAQYLSRUSA-N 1 2 376.412 3.665 20 30 GHEDLO COC(=O)c1cc2cc(C[N@H+]3CCO[C@@H](c4cccc(C#N)c4)C3)ccc2o1 ZINC000761756726 884070188 /nfs/dbraw/zinc/07/01/88/884070188.db2.gz CXADJHVWKSYOHO-OAQYLSRUSA-N 1 2 376.412 3.665 20 30 GHEDLO CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000918682090 884142116 /nfs/dbraw/zinc/14/21/16/884142116.db2.gz NFWYRSXKCOLJRJ-IBGZPJMESA-N 1 2 393.491 3.549 20 30 GHEDLO N#Cc1cccc([C@H]2C[N@H+](CCOc3ccc(Br)cc3)CCO2)c1 ZINC000761765162 884148057 /nfs/dbraw/zinc/14/80/57/884148057.db2.gz JIKPFDGVRRBLCL-LJQANCHMSA-N 1 2 387.277 3.773 20 30 GHEDLO N#Cc1cccc([C@H]2C[N@@H+](CCOc3ccc(Br)cc3)CCO2)c1 ZINC000761765162 884148065 /nfs/dbraw/zinc/14/80/65/884148065.db2.gz JIKPFDGVRRBLCL-LJQANCHMSA-N 1 2 387.277 3.773 20 30 GHEDLO Cc1nc(C[NH+]2CCC(C(=O)OC[C@@H](C#N)Cc3cccs3)CC2)cs1 ZINC000805906803 884191053 /nfs/dbraw/zinc/19/10/53/884191053.db2.gz ZYTRYGNKFSYHPH-OAHLLOKOSA-N 1 2 389.546 3.651 20 30 GHEDLO N#Cc1cccc([C@@H]2C[N@H+](CCCc3nc(-c4cccs4)no3)CCO2)c1 ZINC000761766664 884196136 /nfs/dbraw/zinc/19/61/36/884196136.db2.gz UFRCFBRLKYAHHF-KRWDZBQOSA-N 1 2 380.473 3.676 20 30 GHEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCCc3nc(-c4cccs4)no3)CCO2)c1 ZINC000761766664 884196144 /nfs/dbraw/zinc/19/61/44/884196144.db2.gz UFRCFBRLKYAHHF-KRWDZBQOSA-N 1 2 380.473 3.676 20 30 GHEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000537561882 885419233 /nfs/dbraw/zinc/41/92/33/885419233.db2.gz PDGXVPUJLCNKBJ-HKUYNNGSSA-N 1 2 387.572 3.845 20 30 GHEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000537561882 885419236 /nfs/dbraw/zinc/41/92/36/885419236.db2.gz PDGXVPUJLCNKBJ-HKUYNNGSSA-N 1 2 387.572 3.845 20 30 GHEDLO CC(C)(C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1cc(F)cc(C#N)c1 ZINC000286901980 912961237 /nfs/dbraw/zinc/96/12/37/912961237.db2.gz BSJRURHTJABKMO-UHFFFAOYSA-N 1 2 394.494 3.914 20 30 GHEDLO Cc1ncc(CO)c(/C=N\C[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1O ZINC000915112807 885795198 /nfs/dbraw/zinc/79/51/98/885795198.db2.gz GXYZSGJSZUZVQP-MLZDUOQFSA-N 1 2 391.874 3.636 20 30 GHEDLO COc1cc(C)c(C[N@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)cc1OC ZINC000173457329 886358509 /nfs/dbraw/zinc/35/85/09/886358509.db2.gz NDAYSIBAMVCCTP-UHFFFAOYSA-N 1 2 378.432 3.566 20 30 GHEDLO COc1cc(C)c(C[N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)cc1OC ZINC000173457329 886358524 /nfs/dbraw/zinc/35/85/24/886358524.db2.gz NDAYSIBAMVCCTP-UHFFFAOYSA-N 1 2 378.432 3.566 20 30 GHEDLO CCCCCCCCCNC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000915340659 886363350 /nfs/dbraw/zinc/36/33/50/886363350.db2.gz YIPFQMAEWMGKRW-UHFFFAOYSA-N 1 2 388.556 3.946 20 30 GHEDLO Cc1cc(F)ccc1C1CC[NH+](Cc2nc3ccccc3c(=O)n2CC#N)CC1 ZINC000794625510 887695018 /nfs/dbraw/zinc/69/50/18/887695018.db2.gz ZXRGMUHKTLINFI-UHFFFAOYSA-N 1 2 390.462 3.747 20 30 GHEDLO CC[N@H+](CCC#N)Cc1cc(Br)c(OC)c(Br)c1 ZINC000536632278 888374097 /nfs/dbraw/zinc/37/40/97/888374097.db2.gz FGYLWLMHMLWJHA-UHFFFAOYSA-N 1 2 376.092 3.956 20 30 GHEDLO CC[N@@H+](CCC#N)Cc1cc(Br)c(OC)c(Br)c1 ZINC000536632278 888374104 /nfs/dbraw/zinc/37/41/04/888374104.db2.gz FGYLWLMHMLWJHA-UHFFFAOYSA-N 1 2 376.092 3.956 20 30 GHEDLO CCc1ccc2c(C[NH+]3CCN([C@@H](C#N)c4ccccc4)CC3)cc(=O)oc2c1 ZINC000153858820 888734638 /nfs/dbraw/zinc/73/46/38/888734638.db2.gz BALXCMPZILNUBJ-QFIPXVFZSA-N 1 2 387.483 3.738 20 30 GHEDLO C=CCn1c(C2CC2)nnc1N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000508886031 888914561 /nfs/dbraw/zinc/91/45/61/888914561.db2.gz WDRCMQLYVIOCOI-UHFFFAOYSA-N 1 2 391.441 3.683 20 30 GHEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000810994728 889085073 /nfs/dbraw/zinc/08/50/73/889085073.db2.gz QOEGJKLLJHVANO-DENIHFKCSA-N 1 2 386.417 3.579 20 30 GHEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000810994728 889085088 /nfs/dbraw/zinc/08/50/88/889085088.db2.gz QOEGJKLLJHVANO-DENIHFKCSA-N 1 2 386.417 3.579 20 30 GHEDLO N#Cc1cc(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)ccc1C1CC1 ZINC001132863026 889669257 /nfs/dbraw/zinc/66/92/57/889669257.db2.gz JYYXWVGTROIQBU-UHFFFAOYSA-N 1 2 399.454 3.913 20 30 GHEDLO CC[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000454757228 889694744 /nfs/dbraw/zinc/69/47/44/889694744.db2.gz JJSQZALWGURNPD-JECZMYCTSA-N 1 2 392.906 3.996 20 30 GHEDLO CC[N@H+]1CC[C@@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000454757228 889694755 /nfs/dbraw/zinc/69/47/55/889694755.db2.gz JJSQZALWGURNPD-JECZMYCTSA-N 1 2 392.906 3.996 20 30 GHEDLO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC(OCC3CCCCC3)CC2)C1=O ZINC000533428329 890537478 /nfs/dbraw/zinc/53/74/78/890537478.db2.gz JXBSQFJNNMCGGK-IBGZPJMESA-N 1 2 387.549 3.786 20 30 GHEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(N[C@@H](C)[C@H](O)c2cccc(O)c2)[nH+]1 ZINC001170676035 890564552 /nfs/dbraw/zinc/56/45/52/890564552.db2.gz ZIYGGGWBUHFPSH-JNIXXUPOSA-N 1 2 389.521 3.511 20 30 GHEDLO C#C[C@H](NC(=O)Nc1ccccc1OCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000812933977 891141952 /nfs/dbraw/zinc/14/19/52/891141952.db2.gz OPOMYSPJAXKPSL-SFHVURJKSA-N 1 2 378.407 3.597 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1ccc(N3CCCC3)o1)CC2 ZINC001137063410 891337047 /nfs/dbraw/zinc/33/70/47/891337047.db2.gz TXHTXYMBIXEEKO-UHFFFAOYSA-N 1 2 396.535 3.747 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1ccc(N3CCCC3)o1)CC2 ZINC001137063410 891337060 /nfs/dbraw/zinc/33/70/60/891337060.db2.gz TXHTXYMBIXEEKO-UHFFFAOYSA-N 1 2 396.535 3.747 20 30 GHEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000192464942 892497091 /nfs/dbraw/zinc/49/70/91/892497091.db2.gz INSDYUOAHNTQRT-HNNXBMFYSA-N 1 2 379.435 3.619 20 30 GHEDLO CCCCCCCCn1nc(C)c(S(=O)(=O)N2CC[NH+](C(C)C)CC2)c1C ZINC001185131957 913685879 /nfs/dbraw/zinc/68/58/79/913685879.db2.gz JLJVINIBYDGXFJ-UHFFFAOYSA-N 1 2 398.617 3.575 20 30 GHEDLO CCc1ccc(C#CC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000814531283 892864399 /nfs/dbraw/zinc/86/43/99/892864399.db2.gz FWVXOEDHUFLNDY-KDURUIRLSA-N 1 2 376.500 3.848 20 30 GHEDLO CCc1ccc(C#CC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000814531283 892864414 /nfs/dbraw/zinc/86/44/14/892864414.db2.gz FWVXOEDHUFLNDY-KDURUIRLSA-N 1 2 376.500 3.848 20 30 GHEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000876206777 893017258 /nfs/dbraw/zinc/01/72/58/893017258.db2.gz NPRPYQHRQAOHEV-OAQYLSRUSA-N 1 2 381.524 3.738 20 30 GHEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000876206777 893017279 /nfs/dbraw/zinc/01/72/79/893017279.db2.gz NPRPYQHRQAOHEV-OAQYLSRUSA-N 1 2 381.524 3.738 20 30 GHEDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)Cc1cc(C#N)cs1 ZINC000933775858 893211761 /nfs/dbraw/zinc/21/17/61/893211761.db2.gz WFSQHOAHCSANEK-JTQLQIEISA-N 1 2 378.841 3.640 20 30 GHEDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933775858 893211777 /nfs/dbraw/zinc/21/17/77/893211777.db2.gz WFSQHOAHCSANEK-JTQLQIEISA-N 1 2 378.841 3.640 20 30 GHEDLO Cc1cccn2cc(Cc3noc([C@@H]4CCCN4c4ccc(C#N)cc4)n3)[nH+]c12 ZINC000615132108 893244492 /nfs/dbraw/zinc/24/44/92/893244492.db2.gz ZHOLYVPMTFQZQL-IBGZPJMESA-N 1 2 384.443 3.830 20 30 GHEDLO CC(C)Oc1cccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000455773859 893258988 /nfs/dbraw/zinc/25/89/88/893258988.db2.gz VLHQYRIHNGNTGV-UHFFFAOYSA-N 1 2 378.476 3.695 20 30 GHEDLO CC(C)C(=O)c1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000455828618 893418124 /nfs/dbraw/zinc/41/81/24/893418124.db2.gz WSVWXCWCAWIHAD-UHFFFAOYSA-N 1 2 390.487 3.747 20 30 GHEDLO COc1cccc([C@H]2[C@@H](NCc3cc(C#N)cnc3Cl)CC[N@@H+]2C2CC2)c1 ZINC000877167101 893517096 /nfs/dbraw/zinc/51/70/96/893517096.db2.gz NCQODFJVIGHCDE-PMACEKPBSA-N 1 2 382.895 3.683 20 30 GHEDLO COc1cccc([C@H]2[C@@H](NCc3cc(C#N)cnc3Cl)CC[N@H+]2C2CC2)c1 ZINC000877167101 893517111 /nfs/dbraw/zinc/51/71/11/893517111.db2.gz NCQODFJVIGHCDE-PMACEKPBSA-N 1 2 382.895 3.683 20 30 GHEDLO COc1cc(OC)cc(C2(F)CC[NH+](Cc3c(C#N)cccc3[N+](=O)[O-])CC2)c1 ZINC000459446611 893537722 /nfs/dbraw/zinc/53/77/22/893537722.db2.gz VIABYNVASSALBE-UHFFFAOYSA-N 1 2 399.422 3.944 20 30 GHEDLO CCOc1ccc([C@@H](O)C2CC[NH+](Cc3cc(C#N)cnc3Cl)CC2)cc1 ZINC000877542522 893676014 /nfs/dbraw/zinc/67/60/14/893676014.db2.gz SJYJENIKCCIWCB-HXUWFJFHSA-N 1 2 385.895 3.951 20 30 GHEDLO CC(C)(C)c1nnc(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)[nH]1 ZINC000459714082 894135720 /nfs/dbraw/zinc/13/57/20/894135720.db2.gz SWAGLAJJFZJDID-UHFFFAOYSA-N 1 2 375.476 3.843 20 30 GHEDLO CCc1oc2ccccc2c1CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001135335433 894405853 /nfs/dbraw/zinc/40/58/53/894405853.db2.gz BJAFHAWKBULUQJ-UHFFFAOYSA-N 1 2 387.483 3.754 20 30 GHEDLO CC[C@H](C)n1c2ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc2nc1C(F)(F)F ZINC000564867480 895289165 /nfs/dbraw/zinc/28/91/65/895289165.db2.gz FFABQDBLKJMXGK-DZGCQCFKSA-N 1 2 397.445 3.644 20 30 GHEDLO CC[C@H](C)n1c2ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc2nc1C(F)(F)F ZINC000564867480 895289175 /nfs/dbraw/zinc/28/91/75/895289175.db2.gz FFABQDBLKJMXGK-DZGCQCFKSA-N 1 2 397.445 3.644 20 30 GHEDLO CC(C)c1cc([C@H]2CCC[N@H+](CC(=O)Nc3ccccc3SCC#N)C2)[nH]n1 ZINC000879919444 895403414 /nfs/dbraw/zinc/40/34/14/895403414.db2.gz QVRBLBXLKRPJBS-INIZCTEOSA-N 1 2 397.548 3.967 20 30 GHEDLO CC(C)c1cc([C@H]2CCC[N@@H+](CC(=O)Nc3ccccc3SCC#N)C2)[nH]n1 ZINC000879919444 895403415 /nfs/dbraw/zinc/40/34/15/895403415.db2.gz QVRBLBXLKRPJBS-INIZCTEOSA-N 1 2 397.548 3.967 20 30 GHEDLO CC(C)c1cc([C@H]2CCC[N@H+](CC(=O)Nc3ccccc3SCC#N)C2)n[nH]1 ZINC000879919444 895403441 /nfs/dbraw/zinc/40/34/41/895403441.db2.gz QVRBLBXLKRPJBS-INIZCTEOSA-N 1 2 397.548 3.967 20 30 GHEDLO CC(C)c1cc([C@H]2CCC[N@@H+](CC(=O)Nc3ccccc3SCC#N)C2)n[nH]1 ZINC000879919444 895403450 /nfs/dbraw/zinc/40/34/50/895403450.db2.gz QVRBLBXLKRPJBS-INIZCTEOSA-N 1 2 397.548 3.967 20 30 GHEDLO N#Cc1cnn2cc(C[N@H+]3CCC[C@H]3c3ccc(Br)cc3)cnc12 ZINC000565951266 896005152 /nfs/dbraw/zinc/00/51/52/896005152.db2.gz PBQGHFBDRKKJIT-KRWDZBQOSA-N 1 2 382.265 3.701 20 30 GHEDLO N#Cc1cnn2cc(C[N@@H+]3CCC[C@H]3c3ccc(Br)cc3)cnc12 ZINC000565951266 896005163 /nfs/dbraw/zinc/00/51/63/896005163.db2.gz PBQGHFBDRKKJIT-KRWDZBQOSA-N 1 2 382.265 3.701 20 30 GHEDLO N#C[C@@H]1CC=C(Nc2cncnc2[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC001212855536 898378104 /nfs/dbraw/zinc/37/81/04/898378104.db2.gz YZDMHNMREDZYSZ-DYESRHJHSA-N 1 2 375.476 3.670 20 30 GHEDLO N#C[C@@H]1CC=C(Nc2cncnc2[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC001212855536 898378119 /nfs/dbraw/zinc/37/81/19/898378119.db2.gz YZDMHNMREDZYSZ-DYESRHJHSA-N 1 2 375.476 3.670 20 30 GHEDLO CC[NH+](CC)Cc1csc(NC(=O)CCCC(=O)Nc2ccccc2C#N)n1 ZINC000822702119 898575835 /nfs/dbraw/zinc/57/58/35/898575835.db2.gz NVFCYHFZNBFNGD-UHFFFAOYSA-N 1 2 399.520 3.604 20 30 GHEDLO N#CCCC[N@H+]1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000111307801 898795837 /nfs/dbraw/zinc/79/58/37/898795837.db2.gz IQWHFTALVFSYIJ-OAHLLOKOSA-N 1 2 375.270 3.864 20 30 GHEDLO N#CCCC[N@@H+]1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000111307801 898795848 /nfs/dbraw/zinc/79/58/48/898795848.db2.gz IQWHFTALVFSYIJ-OAHLLOKOSA-N 1 2 375.270 3.864 20 30 GHEDLO C#CCN(CC(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1)C(=O)OC(C)(C)C ZINC000823352099 898977597 /nfs/dbraw/zinc/97/75/97/898977597.db2.gz FPTILKDFMHRANU-UHFFFAOYSA-N 1 2 382.464 3.502 20 30 GHEDLO CSc1nc(C2CC2)cc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)c1C#N ZINC000571099044 899740217 /nfs/dbraw/zinc/74/02/17/899740217.db2.gz PEWUSPYDQIWYDC-CXAGYDPISA-N 1 2 397.504 3.528 20 30 GHEDLO CSc1nc(C2CC2)cc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)c1C#N ZINC000571099044 899740224 /nfs/dbraw/zinc/74/02/24/899740224.db2.gz PEWUSPYDQIWYDC-CXAGYDPISA-N 1 2 397.504 3.528 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c1C ZINC000134627765 900096966 /nfs/dbraw/zinc/09/69/66/900096966.db2.gz ZGIYVWOORSJNDZ-YJBOKZPZSA-N 1 2 389.540 3.851 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c1C ZINC000134627765 900096978 /nfs/dbraw/zinc/09/69/78/900096978.db2.gz ZGIYVWOORSJNDZ-YJBOKZPZSA-N 1 2 389.540 3.851 20 30 GHEDLO N#Cc1cccc(Cl)c1C[NH+]1CCC2(C[C@H](c3ccccc3)C(=O)N2)CC1 ZINC001143723287 900442784 /nfs/dbraw/zinc/44/27/84/900442784.db2.gz OYUYZMUCHKXTIM-GOSISDBHSA-N 1 2 379.891 3.850 20 30 GHEDLO CC(C)c1ccc(-c2noc(C[N@H+](C)C[C@H](O)c3cccc(C#N)c3)n2)cc1 ZINC000844368634 900780574 /nfs/dbraw/zinc/78/05/74/900780574.db2.gz SKVOKWMAYDVNCL-FQEVSTJZSA-N 1 2 376.460 3.897 20 30 GHEDLO CC(C)c1ccc(-c2noc(C[N@@H+](C)C[C@H](O)c3cccc(C#N)c3)n2)cc1 ZINC000844368634 900780585 /nfs/dbraw/zinc/78/05/85/900780585.db2.gz SKVOKWMAYDVNCL-FQEVSTJZSA-N 1 2 376.460 3.897 20 30 GHEDLO N#CC(CC[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1)(c1ccccc1)c1ccccc1 ZINC000575157834 901143638 /nfs/dbraw/zinc/14/36/38/901143638.db2.gz JILSCTCWMMAZET-GOSISDBHSA-N 1 2 387.487 3.590 20 30 GHEDLO N#CC(CC[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1)(c1ccccc1)c1ccccc1 ZINC000575157834 901143645 /nfs/dbraw/zinc/14/36/45/901143645.db2.gz JILSCTCWMMAZET-GOSISDBHSA-N 1 2 387.487 3.590 20 30 GHEDLO C=CCC1(O)CC[NH+]([C@H](C)C(=O)N(c2nccs2)C2CCCCC2)CC1 ZINC000886772096 901265410 /nfs/dbraw/zinc/26/54/10/901265410.db2.gz SEHMGVFPLHRRKS-MRXNPFEDSA-N 1 2 377.554 3.600 20 30 GHEDLO C[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)c1cccc(C#N)c1O ZINC000886782629 901273489 /nfs/dbraw/zinc/27/34/89/901273489.db2.gz YLJURSHWDDKORO-DZGCQCFKSA-N 1 2 395.450 3.807 20 30 GHEDLO C=CCCS(=O)(=O)N[C@H]1CC[N@@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000576138831 901720544 /nfs/dbraw/zinc/72/05/44/901720544.db2.gz LVPGACFAWACZTB-IRXDYDNUSA-N 1 2 388.936 3.889 20 30 GHEDLO C=CCCS(=O)(=O)N[C@H]1CC[N@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000576138831 901720592 /nfs/dbraw/zinc/72/05/92/901720592.db2.gz LVPGACFAWACZTB-IRXDYDNUSA-N 1 2 388.936 3.889 20 30 GHEDLO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000333297055 901983429 /nfs/dbraw/zinc/98/34/29/901983429.db2.gz LHZLXAKWUTUJIZ-YADHBBJMSA-N 1 2 399.498 3.777 20 30 GHEDLO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000333297055 901983438 /nfs/dbraw/zinc/98/34/38/901983438.db2.gz LHZLXAKWUTUJIZ-YADHBBJMSA-N 1 2 399.498 3.777 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)N2CCC(CCC#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000576460697 902035464 /nfs/dbraw/zinc/03/54/64/902035464.db2.gz BASPAWCAVDFXEF-RTBURBONSA-N 1 2 392.906 3.950 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)N2CCC(CCC#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000576460697 902035470 /nfs/dbraw/zinc/03/54/70/902035470.db2.gz BASPAWCAVDFXEF-RTBURBONSA-N 1 2 392.906 3.950 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)N2CCC(CCC#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000576460694 902035694 /nfs/dbraw/zinc/03/56/94/902035694.db2.gz BASPAWCAVDFXEF-MOPGFXCFSA-N 1 2 392.906 3.950 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)N2CCC(CCC#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000576460694 902035701 /nfs/dbraw/zinc/03/57/01/902035701.db2.gz BASPAWCAVDFXEF-MOPGFXCFSA-N 1 2 392.906 3.950 20 30 GHEDLO COc1ccc(Cl)c(N2CC[NH+](Cc3ccc(O[C@H](C)C#N)cc3)CC2)c1 ZINC000845996473 902611045 /nfs/dbraw/zinc/61/10/45/902611045.db2.gz PAIWRVVJEPWDEM-MRXNPFEDSA-N 1 2 385.895 3.962 20 30 GHEDLO C[C@@H](C#N)CN(C)C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000264024938 902783227 /nfs/dbraw/zinc/78/32/27/902783227.db2.gz AILOOHWEXPGVDA-SFHVURJKSA-N 1 2 387.487 3.899 20 30 GHEDLO N#CCCn1cc(CNc2cc(CSCCO)cc[nH+]2)c(-c2ccccc2)n1 ZINC000130120385 902899550 /nfs/dbraw/zinc/89/95/50/902899550.db2.gz INXZYBHFBIBWHR-UHFFFAOYSA-N 1 2 393.516 3.696 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000264490208 903135503 /nfs/dbraw/zinc/13/55/03/903135503.db2.gz AVOAMJUUAVLVHP-MRXNPFEDSA-N 1 2 381.505 3.687 20 30 GHEDLO N#Cc1cccc(OCc2cccc(C(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)c2)c1 ZINC000265208362 903719370 /nfs/dbraw/zinc/71/93/70/903719370.db2.gz KPBBCALNDVOXMW-FQEVSTJZSA-N 1 2 386.455 3.880 20 30 GHEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)[C@@H](C#N)CCc3ccccc3)CC2)cc1 ZINC001147944819 903929323 /nfs/dbraw/zinc/92/93/23/903929323.db2.gz WRWFFGQOKTXFGP-HXUWFJFHSA-N 1 2 390.531 3.610 20 30 GHEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000151383651 904119329 /nfs/dbraw/zinc/11/93/29/904119329.db2.gz YUOZMHIZBMPKTK-WIYYLYMNSA-N 1 2 377.492 3.515 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000578985640 904277086 /nfs/dbraw/zinc/27/70/86/904277086.db2.gz WWLYFUINHQEMHT-ZBFHGGJFSA-N 1 2 381.501 3.589 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000578985640 904277103 /nfs/dbraw/zinc/27/71/03/904277103.db2.gz WWLYFUINHQEMHT-ZBFHGGJFSA-N 1 2 381.501 3.589 20 30 GHEDLO N#Cc1csc(C[N@H+]2CCC[C@@H](Nc3cccc(Br)c3)C2)n1 ZINC000579047803 904313390 /nfs/dbraw/zinc/31/33/90/904313390.db2.gz IUXDJCXYTQTAGV-CQSZACIVSA-N 1 2 377.311 3.854 20 30 GHEDLO N#Cc1csc(C[N@@H+]2CCC[C@@H](Nc3cccc(Br)c3)C2)n1 ZINC000579047803 904313398 /nfs/dbraw/zinc/31/33/98/904313398.db2.gz IUXDJCXYTQTAGV-CQSZACIVSA-N 1 2 377.311 3.854 20 30 GHEDLO N#Cc1cccc(OCCC[N@@H+]2CCOc3cccc(Br)c3C2)c1 ZINC001171567287 904833936 /nfs/dbraw/zinc/83/39/36/904833936.db2.gz HZTMWJINOPSNJY-UHFFFAOYSA-N 1 2 387.277 3.984 20 30 GHEDLO N#Cc1cccc(OCCC[N@H+]2CCOc3cccc(Br)c3C2)c1 ZINC001171567287 904833950 /nfs/dbraw/zinc/83/39/50/904833950.db2.gz HZTMWJINOPSNJY-UHFFFAOYSA-N 1 2 387.277 3.984 20 30 GHEDLO C#CCOc1ccccc1NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000188057202 904865671 /nfs/dbraw/zinc/86/56/71/904865671.db2.gz ASZDLNUTAIFICR-UNMCSNQZSA-N 1 2 386.455 3.945 20 30 GHEDLO COc1ccc(Cl)c2c1CCC[C@H]2[N@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC001171694362 904967643 /nfs/dbraw/zinc/96/76/43/904967643.db2.gz QTLNKZDSWWDXDA-LJQANCHMSA-N 1 2 397.906 3.846 20 30 GHEDLO COc1ccc(Cl)c2c1CCC[C@H]2[N@@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC001171694362 904967653 /nfs/dbraw/zinc/96/76/53/904967653.db2.gz QTLNKZDSWWDXDA-LJQANCHMSA-N 1 2 397.906 3.846 20 30 GHEDLO COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCc2c[nH+]cn2C)cc1 ZINC000188839479 904991144 /nfs/dbraw/zinc/99/11/44/904991144.db2.gz MGMLYMWBHDYOJQ-UHFFFAOYSA-N 1 2 376.416 3.664 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1[C@@H](C)Cc1ccc(F)cc1Cl ZINC001172867565 905883918 /nfs/dbraw/zinc/88/39/18/905883918.db2.gz NWCZAIKGBVSMEY-IFXJQAMLSA-N 1 2 392.906 3.824 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1[C@@H](C)Cc1ccc(F)cc1Cl ZINC001172867565 905883973 /nfs/dbraw/zinc/88/39/73/905883973.db2.gz NWCZAIKGBVSMEY-IFXJQAMLSA-N 1 2 392.906 3.824 20 30 GHEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2cc(C#N)cs2)cc1 ZINC000177399225 906123284 /nfs/dbraw/zinc/12/32/84/906123284.db2.gz RBJISZHBUPUMCM-UHFFFAOYSA-N 1 2 394.500 3.948 20 30 GHEDLO C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000178469534 906346514 /nfs/dbraw/zinc/34/65/14/906346514.db2.gz AKZSXDROHYVKGG-UHFFFAOYSA-N 1 2 384.455 3.586 20 30 GHEDLO C[C@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1ncc(-c2ccccc2)o1 ZINC000299426472 921309088 /nfs/dbraw/zinc/30/90/88/921309088.db2.gz UXCPWHNUPVIDOE-BBRMVZONSA-N 1 2 378.457 3.731 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(c2ncccn2)CC1 ZINC001176294996 908016971 /nfs/dbraw/zinc/01/69/71/908016971.db2.gz KGWJBFZBBXZTMW-INIZCTEOSA-N 1 2 395.532 3.689 20 30 GHEDLO C=CCC1(O)CC[NH+](Cc2ccc(I)cc2Cl)CC1 ZINC001176272055 908034798 /nfs/dbraw/zinc/03/47/98/908034798.db2.gz DJXYKHSHUYIRPL-UHFFFAOYSA-N 1 2 391.680 3.848 20 30 GHEDLO N#CC(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001176877584 908284129 /nfs/dbraw/zinc/28/41/29/908284129.db2.gz HNHQKLUYGSUMOM-JOCHJYFZSA-N 1 2 384.483 3.632 20 30 GHEDLO N#CCCN(C(=O)C[NH+]1CCC(O)(c2ccccc2Cl)CC1)c1ccccc1 ZINC000193157926 908854367 /nfs/dbraw/zinc/85/43/67/908854367.db2.gz QFGHKJSZPCBCAW-UHFFFAOYSA-N 1 2 397.906 3.570 20 30 GHEDLO Cc1ccc(C#N)cc1C(=O)NCCc1cn(Cc2ccc(Cl)cc2)c[nH+]1 ZINC001181359803 910724669 /nfs/dbraw/zinc/72/46/69/910724669.db2.gz IGKROPDCEJFBFJ-UHFFFAOYSA-N 1 2 378.863 3.737 20 30 GHEDLO C#C[C@H](CC)[NH2+]Cc1nc(N(C)C)n(-c2ccc(Br)cc2)c1Cl ZINC001181575807 910846954 /nfs/dbraw/zinc/84/69/54/910846954.db2.gz ISCNVPHYERYEDV-CYBMUJFWSA-N 1 2 395.732 3.856 20 30 GHEDLO N#Cc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C[NH+]2CCCCC2)c1 ZINC001190971622 917673994 /nfs/dbraw/zinc/67/39/94/917673994.db2.gz QDGCEVBJOPLOMM-UHFFFAOYSA-N 1 2 389.908 3.998 20 30 GHEDLO CCCCCCCCNC(=O)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001191060507 917731615 /nfs/dbraw/zinc/73/16/15/917731615.db2.gz WPKSAYAGAFOATL-LJQANCHMSA-N 1 2 376.545 3.812 20 30 GHEDLO COc1cccc(F)c1[C@H](C)[NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000775460483 918011843 /nfs/dbraw/zinc/01/18/43/918011843.db2.gz VGEDIRKXRGJWLW-ZFWWWQNUSA-N 1 2 390.418 3.722 20 30 GHEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000363289115 918036137 /nfs/dbraw/zinc/03/61/37/918036137.db2.gz RLUAPAWJUWILDU-RTBURBONSA-N 1 2 378.863 3.620 20 30 GHEDLO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000363289115 918036156 /nfs/dbraw/zinc/03/61/56/918036156.db2.gz RLUAPAWJUWILDU-RTBURBONSA-N 1 2 378.863 3.620 20 30 GHEDLO N#C[C@H](C(=O)C[N@@H+]1CCCC[C@H]1c1ccccc1)c1nc2ccccc2c(=O)[nH]1 ZINC000273901014 919423156 /nfs/dbraw/zinc/42/31/56/919423156.db2.gz XGCGHTMDFGGYNU-QUCCMNQESA-N 1 2 386.455 3.739 20 30 GHEDLO N#C[C@H](C(=O)C[N@H+]1CCCC[C@H]1c1ccccc1)c1nc2ccccc2c(=O)[nH]1 ZINC000273901014 919423165 /nfs/dbraw/zinc/42/31/65/919423165.db2.gz XGCGHTMDFGGYNU-QUCCMNQESA-N 1 2 386.455 3.739 20 30 GHEDLO C=CCN(CC=C)C(=O)[C@H](C)Sc1nnc([C@H](CC)[NH+](C)C)n1CCCC ZINC000298163580 920266601 /nfs/dbraw/zinc/26/66/01/920266601.db2.gz UVJOTMGHXSEYQB-IRXDYDNUSA-N 1 2 393.601 3.772 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(F)cc2Br)C1=O ZINC001275965898 920342320 /nfs/dbraw/zinc/34/23/20/920342320.db2.gz QHTJBACVSXXHSW-SFHVURJKSA-N 1 2 381.289 3.731 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2ccc(F)cc2Br)C1=O ZINC001275965898 920342339 /nfs/dbraw/zinc/34/23/39/920342339.db2.gz QHTJBACVSXXHSW-SFHVURJKSA-N 1 2 381.289 3.731 20 30 GHEDLO Cc1cc(C)c(N2CC[C@@H]([NH+]3CCC(C#N)(c4ccccn4)CC3)C2=O)c(C)c1 ZINC000367058881 921899709 /nfs/dbraw/zinc/89/97/09/921899709.db2.gz YVTKKRWNYZADLS-HXUWFJFHSA-N 1 2 388.515 3.670 20 30 GHEDLO Cn1cc[nH+]c1CCCOC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000802788039 922407320 /nfs/dbraw/zinc/40/73/20/922407320.db2.gz PBLSSUJBPUHJSR-UHFFFAOYSA-N 1 2 375.428 3.660 20 30 GHEDLO CCN(C(=O)c1cccc(C#N)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000369591642 923466426 /nfs/dbraw/zinc/46/64/26/923466426.db2.gz MHHDEBAZMZVHAQ-UHFFFAOYSA-N 1 2 391.519 3.911 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1cn3c(cccc3C)n1)CC2 ZINC001137297181 924351905 /nfs/dbraw/zinc/35/19/05/924351905.db2.gz ZAODICWIWDBNRQ-UHFFFAOYSA-N 1 2 391.519 3.510 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1cn3c(cccc3C)n1)CC2 ZINC001137297181 924351907 /nfs/dbraw/zinc/35/19/07/924351907.db2.gz ZAODICWIWDBNRQ-UHFFFAOYSA-N 1 2 391.519 3.510 20 30 GHEDLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cscc1C#N ZINC000410601877 925752033 /nfs/dbraw/zinc/75/20/33/925752033.db2.gz KBBPYZFZWFKGHT-MGPUTAFESA-N 1 2 382.533 3.696 20 30 GHEDLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cscc1C#N ZINC000410601877 925752038 /nfs/dbraw/zinc/75/20/38/925752038.db2.gz KBBPYZFZWFKGHT-MGPUTAFESA-N 1 2 382.533 3.696 20 30 GHEDLO Cc1cc(N(CCC#N)C(=O)CN(C)Cc2cn3c([nH+]2)CCCC3)ccc1Cl ZINC000372997010 925806761 /nfs/dbraw/zinc/80/67/61/925806761.db2.gz MSFRVOABMOTZLS-UHFFFAOYSA-N 1 2 399.926 3.560 20 30 GHEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000411181163 926175641 /nfs/dbraw/zinc/17/56/41/926175641.db2.gz UCHKPXUZARDKIF-HNNXBMFYSA-N 1 2 399.447 3.627 20 30 GHEDLO C=CC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000411181163 926175647 /nfs/dbraw/zinc/17/56/47/926175647.db2.gz UCHKPXUZARDKIF-HNNXBMFYSA-N 1 2 399.447 3.627 20 30 GHEDLO C=CC[N@H+](Cc1cccc(C#N)c1)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411199598 926206056 /nfs/dbraw/zinc/20/60/56/926206056.db2.gz ZYRWBJSTMRZZGX-HNNXBMFYSA-N 1 2 390.512 3.995 20 30 GHEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411199598 926206065 /nfs/dbraw/zinc/20/60/65/926206065.db2.gz ZYRWBJSTMRZZGX-HNNXBMFYSA-N 1 2 390.512 3.995 20 30 GHEDLO CC(=[NH+]Nc1nc2ccccc2c(=O)n1CCCOC(C)C)c1ccc(N)cc1 ZINC000725842185 926465262 /nfs/dbraw/zinc/46/52/62/926465262.db2.gz CPKGHNXZOAAULE-UHFFFAOYSA-N 1 2 393.491 3.630 20 30 GHEDLO CC1(C)C[N@H+](CCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CCO1 ZINC000726261136 926614397 /nfs/dbraw/zinc/61/43/97/926614397.db2.gz LJGOOCILMQSDLF-NRFANRHFSA-N 1 2 392.503 3.574 20 30 GHEDLO CC1(C)C[N@@H+](CCNC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CCO1 ZINC000726261136 926614402 /nfs/dbraw/zinc/61/44/02/926614402.db2.gz LJGOOCILMQSDLF-NRFANRHFSA-N 1 2 392.503 3.574 20 30 GHEDLO N#C[C@@H](C(=O)C[NH+]1CCC2(CCCCC2)CC1)c1nc2ccccc2c(=O)[nH]1 ZINC000726598004 926752764 /nfs/dbraw/zinc/75/27/64/926752764.db2.gz MAYZQCUIEYXLSE-KRWDZBQOSA-N 1 2 378.476 3.558 20 30 GHEDLO N#Cc1ccc(SCC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000374443006 927147980 /nfs/dbraw/zinc/14/79/80/927147980.db2.gz LZAFOMZLTIUMCZ-KRWDZBQOSA-N 1 2 380.517 3.589 20 30 GHEDLO N#CCSc1ccccc1NC(=O)C[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000375361789 928213556 /nfs/dbraw/zinc/21/35/56/928213556.db2.gz LTSRTGCMWUMOML-UHFFFAOYSA-N 1 2 384.480 3.597 20 30 GHEDLO C=CCn1c([C@@H]2COc3ccccc3O2)nn(C[N@H+]2CC[C@@H](C)[C@@H]2C)c1=S ZINC000751939061 928495813 /nfs/dbraw/zinc/49/58/13/928495813.db2.gz CQTCLJFBCIXGMT-VKJFTORMSA-N 1 2 386.521 3.800 20 30 GHEDLO C=CCn1c([C@@H]2COc3ccccc3O2)nn(C[N@@H+]2CC[C@@H](C)[C@@H]2C)c1=S ZINC000751939061 928495819 /nfs/dbraw/zinc/49/58/19/928495819.db2.gz CQTCLJFBCIXGMT-VKJFTORMSA-N 1 2 386.521 3.800 20 30 GHEDLO CCC(=[NH+]Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(N(C)C)cc1 ZINC000759195149 930305778 /nfs/dbraw/zinc/30/57/78/930305778.db2.gz DPSHRZRCFXKHMV-UHFFFAOYSA-N 1 2 381.448 3.975 20 30 GHEDLO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2ncc(Br)s2)ccc1OC ZINC000782362360 931191135 /nfs/dbraw/zinc/19/11/35/931191135.db2.gz UQBNAACQTCOWPL-GFCCVEGCSA-N 1 2 396.310 3.885 20 30 GHEDLO C#CCN(C(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1)C1CCCC1 ZINC000782761351 931328105 /nfs/dbraw/zinc/32/81/05/931328105.db2.gz TVXFBSOGTRWHNM-ICSRJNTNSA-N 1 2 393.453 3.827 20 30 GHEDLO C#CCN(C(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1)C1CCCC1 ZINC000782761351 931328109 /nfs/dbraw/zinc/32/81/09/931328109.db2.gz TVXFBSOGTRWHNM-ICSRJNTNSA-N 1 2 393.453 3.827 20 30 GHEDLO CC[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1cccc(C#N)c1O ZINC000924677199 931471510 /nfs/dbraw/zinc/47/15/10/931471510.db2.gz KBYLWASHVPMHLE-YRNRMSPPSA-N 1 2 380.492 3.513 20 30 GHEDLO CCOc1ccc(C2N=NC(=S)N2N=Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000783811345 931663021 /nfs/dbraw/zinc/66/30/21/931663021.db2.gz SMUOXMCPJOYBER-UHFFFAOYSA-N 1 2 396.501 3.762 20 30 GHEDLO CC[C@H]([NH2+]Cc1nnc2n1CCC[C@@H]2C(F)(F)F)c1cccc(C#N)c1O ZINC000925173695 931689434 /nfs/dbraw/zinc/68/94/34/931689434.db2.gz ZFSLZMOXBLKFFI-KBPBESRZSA-N 1 2 379.386 3.536 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@]3(C2)CCc2ccccc2O3)c(C#N)c1C ZINC000558466640 932018711 /nfs/dbraw/zinc/01/87/11/932018711.db2.gz PQZKAGVGENFKFJ-IVZQSRNASA-N 1 2 379.460 3.565 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)c(C#N)c1C ZINC000558466640 932018714 /nfs/dbraw/zinc/01/87/14/932018714.db2.gz PQZKAGVGENFKFJ-IVZQSRNASA-N 1 2 379.460 3.565 20 30 GHEDLO Cc1ccc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1Br ZINC000798274355 932588357 /nfs/dbraw/zinc/58/83/57/932588357.db2.gz CPVLNAOGJORLAW-HOCLYGCPSA-N 1 2 394.313 3.606 20 30 GHEDLO N#Cc1c2c(sc1NC(=O)C[N@@H+]1CC[C@H](c3ccncc3)C1)CCCCC2 ZINC000559638709 932772621 /nfs/dbraw/zinc/77/26/21/932772621.db2.gz IDECYGMNFXSVLD-INIZCTEOSA-N 1 2 380.517 3.712 20 30 GHEDLO N#Cc1c2c(sc1NC(=O)C[N@H+]1CC[C@H](c3ccncc3)C1)CCCCC2 ZINC000559638709 932772626 /nfs/dbraw/zinc/77/26/26/932772626.db2.gz IDECYGMNFXSVLD-INIZCTEOSA-N 1 2 380.517 3.712 20 30 GHEDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000799457497 933013052 /nfs/dbraw/zinc/01/30/52/933013052.db2.gz XEKALBHOOFDHGF-OAHLLOKOSA-N 1 2 395.385 3.890 20 30 GHEDLO C[NH+](C)c1ccc(N2CCC(N=Nc3cncc(Br)c3)CC2)cc1 ZINC001116392049 933531696 /nfs/dbraw/zinc/53/16/96/933531696.db2.gz PIKDMHLRRLHIMD-UHFFFAOYSA-N 1 2 388.313 3.978 20 30 GHEDLO C=CCn1c(C[C@H](C)SCC)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001121552974 934695589 /nfs/dbraw/zinc/69/55/89/934695589.db2.gz KUKDSUCOYPUUME-INIZCTEOSA-N 1 2 386.569 3.624 20 30 GHEDLO C=CCn1c([C@@H]2CCC(F)(F)C2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001121594016 934710119 /nfs/dbraw/zinc/71/01/19/934710119.db2.gz LEZCNHXQDISHRE-OAHLLOKOSA-N 1 2 388.466 3.843 20 30 GHEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c(C#N)c1C ZINC000931917775 934764898 /nfs/dbraw/zinc/76/48/98/934764898.db2.gz HLKQAVYWGDFMHC-CQSZACIVSA-N 1 2 375.391 3.542 20 30 GHEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c(C#N)c1C ZINC000931917775 934764901 /nfs/dbraw/zinc/76/49/01/934764901.db2.gz HLKQAVYWGDFMHC-CQSZACIVSA-N 1 2 375.391 3.542 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC001122537122 934892670 /nfs/dbraw/zinc/89/26/70/934892670.db2.gz QSUGZKLLDDKNOM-ZCNNSNEGSA-N 1 2 387.572 3.654 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC001122537122 934892672 /nfs/dbraw/zinc/89/26/72/934892672.db2.gz QSUGZKLLDDKNOM-ZCNNSNEGSA-N 1 2 387.572 3.654 20 30 GHEDLO N#Cc1ccc(CN2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)c(Br)c1 ZINC001137640133 935656040 /nfs/dbraw/zinc/65/60/40/935656040.db2.gz SSTCZKIWYKCLDC-MRXNPFEDSA-N 1 2 384.268 3.626 20 30 GHEDLO Cc1ccc2nc(Cl)c(C[NH+]3CCN(c4cc(C#N)ccn4)CC3)cc2c1 ZINC001137922778 935871813 /nfs/dbraw/zinc/87/18/13/935871813.db2.gz LOMKQNGWXSHWBU-UHFFFAOYSA-N 1 2 377.879 3.786 20 30 GHEDLO C=CCNC(=O)Nc1ccc(NC(=O)c2cc(C)ccc2-n2cc[nH+]c2)cc1 ZINC000468248265 1015498014 /nfs/dbraw/zinc/49/80/14/1015498014.db2.gz YYEBJCBHNHPLTL-UHFFFAOYSA-N 1 2 375.432 3.741 20 30 GHEDLO C=CCOc1ccc(-c2nc(Cc3cn4cccc(C)c4[nH+]3)no2)cc1OC ZINC000545680911 1016231636 /nfs/dbraw/zinc/23/16/36/1016231636.db2.gz OTJREEZSQMQEEA-UHFFFAOYSA-N 1 2 376.416 3.857 20 30 GHEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(O)c(C)cc1Br ZINC001277213610 1032437548 /nfs/dbraw/zinc/43/75/48/1032437548.db2.gz DTHMDFCMXJKPBD-IBGZPJMESA-N 1 2 393.325 3.606 20 30 GHEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(O)c(C)cc1Br ZINC001277213610 1032437552 /nfs/dbraw/zinc/43/75/52/1032437552.db2.gz DTHMDFCMXJKPBD-IBGZPJMESA-N 1 2 393.325 3.606 20 30 GHEDLO N#CCCCN1CC[C@]2(CCC[N@@H+](Cc3cccc(Cl)c3O)CC2)C1=O ZINC001277231896 1032516943 /nfs/dbraw/zinc/51/69/43/1032516943.db2.gz HLBHFWHVSFNMQB-HXUWFJFHSA-N 1 2 375.900 3.554 20 30 GHEDLO N#CCCCN1CC[C@]2(CCC[N@H+](Cc3cccc(Cl)c3O)CC2)C1=O ZINC001277231896 1032516948 /nfs/dbraw/zinc/51/69/48/1032516948.db2.gz HLBHFWHVSFNMQB-HXUWFJFHSA-N 1 2 375.900 3.554 20 30 GHEDLO C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1c(F)ccc(F)c1Br)CC2 ZINC001276446373 1032635989 /nfs/dbraw/zinc/63/59/89/1032635989.db2.gz WGZFGARQZDCAEM-CYBMUJFWSA-N 1 2 399.279 3.632 20 30 GHEDLO CC(C)(C)c1csc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1C#N ZINC000560667135 1017686981 /nfs/dbraw/zinc/68/69/81/1017686981.db2.gz WXQDXWAPRJPSSD-GOSISDBHSA-N 1 2 383.517 3.757 20 30 GHEDLO CC(C)(C)c1csc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1C#N ZINC000560667135 1017686988 /nfs/dbraw/zinc/68/69/88/1017686988.db2.gz WXQDXWAPRJPSSD-GOSISDBHSA-N 1 2 383.517 3.757 20 30 GHEDLO C=CCc1cc(C[N@@H+]2CCc3c(ncn3-c3ccccc3)C2)c(O)c(OC)c1 ZINC000777957421 1017926353 /nfs/dbraw/zinc/92/63/53/1017926353.db2.gz DDMIEUKKEPZLTB-UHFFFAOYSA-N 1 2 375.472 3.873 20 30 GHEDLO C=CCc1cc(C[N@H+]2CCc3c(ncn3-c3ccccc3)C2)c(O)c(OC)c1 ZINC000777957421 1017926364 /nfs/dbraw/zinc/92/63/64/1017926364.db2.gz DDMIEUKKEPZLTB-UHFFFAOYSA-N 1 2 375.472 3.873 20 30 GHEDLO N#Cc1ccccc1OC1CCC([NH2+][C@@H](c2cn[nH]n2)c2ccc(F)cc2)CC1 ZINC000562778976 1018631110 /nfs/dbraw/zinc/63/11/10/1018631110.db2.gz BOMCNCFHBJMGDF-OBFZPWGMSA-N 1 2 391.450 3.885 20 30 GHEDLO N#Cc1ccccc1OC1CCC([NH2+][C@@H](c2c[nH]nn2)c2ccc(F)cc2)CC1 ZINC000562778976 1018631111 /nfs/dbraw/zinc/63/11/11/1018631111.db2.gz BOMCNCFHBJMGDF-OBFZPWGMSA-N 1 2 391.450 3.885 20 30 GHEDLO C=CCC1(CNC(=O)NC[C@@H]2C[N@H+](Cc3cccc(C)c3)CCO2)CCCC1 ZINC001228270062 1032873232 /nfs/dbraw/zinc/87/32/32/1032873232.db2.gz LAGAKBVWQCOVLD-OAQYLSRUSA-N 1 2 385.552 3.632 20 30 GHEDLO C=CCC1(CNC(=O)NC[C@@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)CCCC1 ZINC001228270062 1032873250 /nfs/dbraw/zinc/87/32/50/1032873250.db2.gz LAGAKBVWQCOVLD-OAQYLSRUSA-N 1 2 385.552 3.632 20 30 GHEDLO CC(C)(C)C[C@@H]1CN(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)C(=O)O1 ZINC000795713738 1021099424 /nfs/dbraw/zinc/09/94/24/1021099424.db2.gz LILTXZNHAFIWIJ-QGZVFWFLSA-N 1 2 389.471 3.755 20 30 GHEDLO C#CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000754897225 1022956396 /nfs/dbraw/zinc/95/63/96/1022956396.db2.gz FJYHGKCSMDHGQS-VQTJNVASSA-N 1 2 386.854 3.666 20 30 GHEDLO C#CCOc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000754897225 1022956399 /nfs/dbraw/zinc/95/63/99/1022956399.db2.gz FJYHGKCSMDHGQS-VQTJNVASSA-N 1 2 386.854 3.666 20 30 GHEDLO COc1ccc(N2CC[NH+](Cc3cc(C#N)ccc3Br)CC2)cc1 ZINC000754980362 1022997136 /nfs/dbraw/zinc/99/71/36/1022997136.db2.gz OGEMDBVVIMAFPN-UHFFFAOYSA-N 1 2 386.293 3.652 20 30 GHEDLO C#CCOc1ccc(C[NH+]2C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)cc1OC ZINC001138347337 1024710296 /nfs/dbraw/zinc/71/02/96/1024710296.db2.gz VSTSLESLOFLFQW-IRXDYDNUSA-N 1 2 388.508 3.537 20 30 GHEDLO C=C(C)COc1ccccc1C[N@@H+]1Cc2nn(C)cc2[C@H](COCC2CC2)C1 ZINC001138660650 1025179090 /nfs/dbraw/zinc/17/90/90/1025179090.db2.gz AKVCOINOJRYATK-FQEVSTJZSA-N 1 2 381.520 3.901 20 30 GHEDLO C=C(C)COc1ccccc1C[N@H+]1Cc2nn(C)cc2[C@H](COCC2CC2)C1 ZINC001138660650 1025179101 /nfs/dbraw/zinc/17/91/01/1025179101.db2.gz AKVCOINOJRYATK-FQEVSTJZSA-N 1 2 381.520 3.901 20 30 GHEDLO C[C@H]1CN(CC(F)(F)F)CC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000832284898 1025406003 /nfs/dbraw/zinc/40/60/03/1025406003.db2.gz QDHFYAUDMFFONM-CYBMUJFWSA-N 1 2 375.822 3.558 20 30 GHEDLO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000832284898 1025406012 /nfs/dbraw/zinc/40/60/12/1025406012.db2.gz QDHFYAUDMFFONM-CYBMUJFWSA-N 1 2 375.822 3.558 20 30 GHEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(NCCc2ccc3c(c2)OCO3)[nH+]1 ZINC001162083574 1025594367 /nfs/dbraw/zinc/59/43/67/1025594367.db2.gz BPDSEMPAJIFSJE-PKUYGVDJSA-N 1 2 387.505 3.654 20 30 GHEDLO Cc1cccc([C@@H](CNc2cc(C)c([N+](=O)[O-])cc2C#N)[NH+]2CCOCC2)c1 ZINC001162132257 1025623679 /nfs/dbraw/zinc/62/36/79/1025623679.db2.gz KGZYMJOJJSJXOK-OAQYLSRUSA-N 1 2 380.448 3.569 20 30 GHEDLO C=CCOc1ccccc1C[N@H+]1Cc2c(cnn2C)[C@@H](COc2cccnc2)C1 ZINC001139028035 1025793821 /nfs/dbraw/zinc/79/38/21/1025793821.db2.gz JUJMTPKBADRFMQ-LJQANCHMSA-N 1 2 390.487 3.558 20 30 GHEDLO C=CCOc1ccccc1C[N@@H+]1Cc2c(cnn2C)[C@@H](COc2cccnc2)C1 ZINC001139028035 1025793837 /nfs/dbraw/zinc/79/38/37/1025793837.db2.gz JUJMTPKBADRFMQ-LJQANCHMSA-N 1 2 390.487 3.558 20 30 GHEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1cc3c(c(Cl)c1)OCO3)CCO2 ZINC001139075626 1025883060 /nfs/dbraw/zinc/88/30/60/1025883060.db2.gz PJQOOTLGLZRXRR-OXQOHEQNSA-N 1 2 379.884 3.642 20 30 GHEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1cc3c(c(Cl)c1)OCO3)CCO2 ZINC001139075626 1025883079 /nfs/dbraw/zinc/88/30/79/1025883079.db2.gz PJQOOTLGLZRXRR-OXQOHEQNSA-N 1 2 379.884 3.642 20 30 GHEDLO N#Cc1cc(Cl)ncc1C(F)(F)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001163850361 1026339873 /nfs/dbraw/zinc/33/98/73/1026339873.db2.gz PBENWJOHCWWHAQ-QPJJXVBHSA-N 1 2 388.849 3.987 20 30 GHEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1C[C@H](c2cccc(C(F)(F)F)c2)CC1=O ZINC000839960892 1026375391 /nfs/dbraw/zinc/37/53/91/1026375391.db2.gz ROWYVUXXCYNRLH-GOSISDBHSA-N 1 2 387.405 3.982 20 30 GHEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1C[C@H](c2cccc(C(F)(F)F)c2)CC1=O ZINC000839960892 1026375404 /nfs/dbraw/zinc/37/54/04/1026375404.db2.gz ROWYVUXXCYNRLH-GOSISDBHSA-N 1 2 387.405 3.982 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)cc1F ZINC001139527557 1026385381 /nfs/dbraw/zinc/38/53/81/1026385381.db2.gz IEGUABMQZSZEHN-UHFFFAOYSA-N 1 2 388.284 3.778 20 30 GHEDLO N#Cc1c(Cl)cccc1C[N@@H+]1CC[C@H]2O[C@@H](COCc3ccccn3)CC[C@H]21 ZINC001139689004 1026541090 /nfs/dbraw/zinc/54/10/90/1026541090.db2.gz GISXDPZASJUAMK-STZQEDGTSA-N 1 2 397.906 3.945 20 30 GHEDLO N#Cc1c(Cl)cccc1C[N@H+]1CC[C@H]2O[C@@H](COCc3ccccn3)CC[C@H]21 ZINC001139689004 1026541105 /nfs/dbraw/zinc/54/11/05/1026541105.db2.gz GISXDPZASJUAMK-STZQEDGTSA-N 1 2 397.906 3.945 20 30 GHEDLO CC(=O)N1CC[C@]2(c3ccccc3)CCN(c3[nH+]ccc4ccc(C#N)cc43)C[C@H]12 ZINC001166220522 1026946566 /nfs/dbraw/zinc/94/65/66/1026946566.db2.gz ZOLJWWMVUFSYOF-ZCYQVOJMSA-N 1 2 396.494 3.875 20 30 GHEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+]2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c1=S ZINC000840114578 1027219675 /nfs/dbraw/zinc/21/96/75/1027219675.db2.gz GVZBDFADFKCDHO-JJDSTIRJSA-N 1 2 379.533 3.764 20 30 GHEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+]2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c1=S ZINC000840114578 1027219699 /nfs/dbraw/zinc/21/96/99/1027219699.db2.gz GVZBDFADFKCDHO-JJDSTIRJSA-N 1 2 379.533 3.764 20 30 GHEDLO N#C[C@H]1C[NH2+]CCN1Cc1ccc(OCCCCCCCCCCCO)cc1 ZINC001210120148 1027346134 /nfs/dbraw/zinc/34/61/34/1027346134.db2.gz ACZWDTYXBOZVEA-QFIPXVFZSA-N 1 2 387.568 3.866 20 30 GHEDLO C=CCOC[C@@H]1C[N@@H+](Cc2cc(C)c(OC)cc2C)Cc2nnn(CC3CC3)c21 ZINC001203753543 1027575868 /nfs/dbraw/zinc/57/58/68/1027575868.db2.gz SQOQUMJIUKVQSO-FQEVSTJZSA-N 1 2 396.535 3.616 20 30 GHEDLO C=CCOC[C@@H]1C[N@H+](Cc2cc(C)c(OC)cc2C)Cc2nnn(CC3CC3)c21 ZINC001203753543 1027575878 /nfs/dbraw/zinc/57/58/78/1027575878.db2.gz SQOQUMJIUKVQSO-FQEVSTJZSA-N 1 2 396.535 3.616 20 30 GHEDLO N#Cc1cccc(C[N@@H+]2CCc3c(c(COCC4CC4)nn3CC3CC3)C2)c1 ZINC001203757645 1027580444 /nfs/dbraw/zinc/58/04/44/1027580444.db2.gz NCOMPDQNFAUHPZ-UHFFFAOYSA-N 1 2 376.504 3.650 20 30 GHEDLO N#Cc1cccc(C[N@H+]2CCc3c(c(COCC4CC4)nn3CC3CC3)C2)c1 ZINC001203757645 1027580455 /nfs/dbraw/zinc/58/04/55/1027580455.db2.gz NCOMPDQNFAUHPZ-UHFFFAOYSA-N 1 2 376.504 3.650 20 30 GHEDLO N#Cc1csc(C[NH2+]Cc2cc(Br)cc(Br)c2)n1 ZINC001203857265 1027664397 /nfs/dbraw/zinc/66/43/97/1027664397.db2.gz XLQZQIMWAVRDSA-UHFFFAOYSA-N 1 2 387.100 3.830 20 30 GHEDLO CSc1nc(C[N@@H+]2C[C@@H]3C[C@H](c4nc(C5CC5)cs4)O[C@@H]3C2)ccc1C#N ZINC001141934427 1027700404 /nfs/dbraw/zinc/70/04/04/1027700404.db2.gz LEBQGBSSZXIWCP-BMGDILEWSA-N 1 2 398.557 3.971 20 30 GHEDLO CSc1nc(C[N@H+]2C[C@@H]3C[C@H](c4nc(C5CC5)cs4)O[C@@H]3C2)ccc1C#N ZINC001141934427 1027700419 /nfs/dbraw/zinc/70/04/19/1027700419.db2.gz LEBQGBSSZXIWCP-BMGDILEWSA-N 1 2 398.557 3.971 20 30 GHEDLO C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143164223 1029876223 /nfs/dbraw/zinc/87/62/23/1029876223.db2.gz BRDLJEYTMHQXNQ-UONOGXRCSA-N 1 2 379.451 3.962 20 30 GHEDLO C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143164223 1029876229 /nfs/dbraw/zinc/87/62/29/1029876229.db2.gz BRDLJEYTMHQXNQ-UONOGXRCSA-N 1 2 379.451 3.962 20 30 GHEDLO CC(C)(C)OC(=O)NC[C@]1(C)CCC[N@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143178718 1029885491 /nfs/dbraw/zinc/88/54/91/1029885491.db2.gz LDTSSGKGJLAKBT-FQEVSTJZSA-N 1 2 379.451 3.963 20 30 GHEDLO CC(C)(C)OC(=O)NC[C@]1(C)CCC[N@@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143178718 1029885501 /nfs/dbraw/zinc/88/55/01/1029885501.db2.gz LDTSSGKGJLAKBT-FQEVSTJZSA-N 1 2 379.451 3.963 20 30 GHEDLO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCC[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000843396269 1029964765 /nfs/dbraw/zinc/96/47/65/1029964765.db2.gz IJYXNSQEHAVNFQ-KRWDZBQOSA-N 1 2 397.914 3.752 20 30 GHEDLO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000843396269 1029964771 /nfs/dbraw/zinc/96/47/71/1029964771.db2.gz IJYXNSQEHAVNFQ-KRWDZBQOSA-N 1 2 397.914 3.752 20 30 GHEDLO N#Cc1ccccc1OCCO[C@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC001222424786 1030123000 /nfs/dbraw/zinc/12/30/00/1030123000.db2.gz XZINPFURZRZJFF-HNNXBMFYSA-N 1 2 377.897 3.728 20 30 GHEDLO N#Cc1ccccc1OCCO[C@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC001222424786 1030123009 /nfs/dbraw/zinc/12/30/09/1030123009.db2.gz XZINPFURZRZJFF-HNNXBMFYSA-N 1 2 377.897 3.728 20 30 GHEDLO Cc1nsc(NC(=O)NCCN(Cc2ccccc2)c2cccc[nH+]2)c1C#N ZINC001217511742 1030454652 /nfs/dbraw/zinc/45/46/52/1030454652.db2.gz JTHUAFWXHQCLPZ-UHFFFAOYSA-N 1 2 392.488 3.547 20 30 GHEDLO N#CCc1cccc(NC(=O)NCCN(Cc2ccccc2)c2cccc[nH+]2)c1 ZINC001218104938 1030774971 /nfs/dbraw/zinc/77/49/71/1030774971.db2.gz UBHUQWURUHXCIV-UHFFFAOYSA-N 1 2 385.471 3.976 20 30 GHEDLO C=CCc1ccc(O)c(-c2cc(CC=C)ccc2O[C@@H]2CC[NH2+][C@@H]2C(=O)OC)c1 ZINC001218348927 1030905786 /nfs/dbraw/zinc/90/57/86/1030905786.db2.gz WVGWVFCHYAEQEP-PKTZIBPZSA-N 1 2 393.483 3.799 20 30 GHEDLO N#Cc1c[nH]c2c1cccc2C(=O)Nc1ccc(O[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC001219465296 1031440575 /nfs/dbraw/zinc/44/05/75/1031440575.db2.gz PUAGLHRILGTKKO-SFHVURJKSA-N 1 2 396.397 3.668 20 30 GHEDLO C=CCCC1(CNC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCCC1 ZINC001220489234 1031961468 /nfs/dbraw/zinc/96/14/68/1031961468.db2.gz RKMDYXWDSIZQRF-OAQYLSRUSA-N 1 2 385.552 3.713 20 30 GHEDLO C=CCCC1(CNC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCCC1 ZINC001220489234 1031961475 /nfs/dbraw/zinc/96/14/75/1031961475.db2.gz RKMDYXWDSIZQRF-OAQYLSRUSA-N 1 2 385.552 3.713 20 30 GHEDLO C[NH+](C)Cc1nc(CSCCNc2nc3c(cc2C#N)CCCC3)cs1 ZINC001157336136 1033540597 /nfs/dbraw/zinc/54/05/97/1033540597.db2.gz GWEXMANVOTXZAN-UHFFFAOYSA-N 1 2 387.578 3.695 20 30 GHEDLO CC(C)c1ccc(C#N)c(NCCSCc2csc(C[NH+](C)C)n2)n1 ZINC001157336631 1033542039 /nfs/dbraw/zinc/54/20/39/1033542039.db2.gz PETBCJJXKOAELT-UHFFFAOYSA-N 1 2 375.567 3.940 20 30 GHEDLO Cc1nc(OC[C@@H]2Cc3ccccc3O2)c(C#N)cc1-c1ccc2[nH+]ccn2c1 ZINC001229766704 1033697660 /nfs/dbraw/zinc/69/76/60/1033697660.db2.gz SMENBHVGNMJHAZ-IBGZPJMESA-N 1 2 382.423 3.959 20 30 GHEDLO C#CC[C@@H]1CCC[N@@H+](Cc2c(F)ccc(I)c2F)C1 ZINC001206408800 1033830580 /nfs/dbraw/zinc/83/05/80/1033830580.db2.gz HABFPVDLUYNFEG-LLVKDONJSA-N 1 2 375.200 3.805 20 30 GHEDLO C#CC[C@@H]1CCC[N@H+](Cc2c(F)ccc(I)c2F)C1 ZINC001206408800 1033830594 /nfs/dbraw/zinc/83/05/94/1033830594.db2.gz HABFPVDLUYNFEG-LLVKDONJSA-N 1 2 375.200 3.805 20 30 GHEDLO N#Cc1cc(Cl)cnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001158551105 1034147727 /nfs/dbraw/zinc/14/77/27/1034147727.db2.gz HFVDQZVEVVCASX-INIZCTEOSA-N 1 2 380.801 3.860 20 30 GHEDLO N#Cc1cc(Cl)cnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001158551105 1034147732 /nfs/dbraw/zinc/14/77/32/1034147732.db2.gz HFVDQZVEVVCASX-INIZCTEOSA-N 1 2 380.801 3.860 20 30 GHEDLO N#Cc1cc2c(nc1N1CC[N@@H+](Cc3ccccc3)C[C@H]1C(F)(F)F)CCC2 ZINC001158552672 1034150824 /nfs/dbraw/zinc/15/08/24/1034150824.db2.gz SQZAGDWMTVVGDQ-IBGZPJMESA-N 1 2 386.421 3.695 20 30 GHEDLO N#Cc1cc2c(nc1N1CC[N@H+](Cc3ccccc3)C[C@H]1C(F)(F)F)CCC2 ZINC001158552672 1034150831 /nfs/dbraw/zinc/15/08/31/1034150831.db2.gz SQZAGDWMTVVGDQ-IBGZPJMESA-N 1 2 386.421 3.695 20 30 GHEDLO C=CCOc1cccc(C[N@@H+]2CCC(F)(F)[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001231624614 1034785361 /nfs/dbraw/zinc/78/53/61/1034785361.db2.gz RWVDFZKTEAYTSU-KRWDZBQOSA-N 1 2 382.451 3.986 20 30 GHEDLO C=CCOc1cccc(C[N@H+]2CCC(F)(F)[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001231624614 1034785367 /nfs/dbraw/zinc/78/53/67/1034785367.db2.gz RWVDFZKTEAYTSU-KRWDZBQOSA-N 1 2 382.451 3.986 20 30 GHEDLO O=C1C=C2C[N@H+](Cc3ccc(Br)c4cccnc34)CC[C@H]2S1 ZINC001231952491 1035002999 /nfs/dbraw/zinc/00/29/99/1035002999.db2.gz ISCPDBARKDIFQE-OAHLLOKOSA-N 1 2 375.291 3.771 20 30 GHEDLO O=C1C=C2C[N@@H+](Cc3ccc(Br)c4cccnc34)CC[C@H]2S1 ZINC001231952491 1035003008 /nfs/dbraw/zinc/00/30/08/1035003008.db2.gz ISCPDBARKDIFQE-OAHLLOKOSA-N 1 2 375.291 3.771 20 30 GHEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1ccc3ccnc(Cl)c3c1)CC2 ZINC001231977372 1035020219 /nfs/dbraw/zinc/02/02/19/1035020219.db2.gz WZRNAMIOEADDNA-UHFFFAOYSA-N 1 2 382.895 3.883 20 30 GHEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1ccc3ccnc(Cl)c3c1)CC2 ZINC001231977372 1035020225 /nfs/dbraw/zinc/02/02/25/1035020225.db2.gz WZRNAMIOEADDNA-UHFFFAOYSA-N 1 2 382.895 3.883 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232222490 1035170317 /nfs/dbraw/zinc/17/03/17/1035170317.db2.gz SFAJMKUAHIPKJH-OAQYLSRUSA-N 1 2 399.498 3.819 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232222490 1035170320 /nfs/dbraw/zinc/17/03/20/1035170320.db2.gz SFAJMKUAHIPKJH-OAQYLSRUSA-N 1 2 399.498 3.819 20 30 GHEDLO N#C[C@@H](c1ccc(NCc2c[nH+]cn2CC2CCC2)nn1)c1ccccc1F ZINC001161532984 1035252430 /nfs/dbraw/zinc/25/24/30/1035252430.db2.gz FJSSCJYGSLWDLM-GOSISDBHSA-N 1 2 376.439 3.880 20 30 GHEDLO COc1cc(OC)c(C2OCCO2)cc1-c1ccc(/[NH+]=C/N(C)C)c(C#N)c1 ZINC001245192364 1036814544 /nfs/dbraw/zinc/81/45/44/1036814544.db2.gz NSWBSAKASDAXGF-YDZHTSKRSA-N 1 2 381.432 3.509 20 30 GHEDLO CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=S)Nc1ccc(C#N)cc1 ZINC001245888083 1037044396 /nfs/dbraw/zinc/04/43/96/1037044396.db2.gz PIYOBWMDHVGRHP-UHFFFAOYSA-N 1 2 378.461 3.519 20 30 GHEDLO C=C[C@@H](CC(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1)c1ccccc1 ZINC001462234468 1070107370 /nfs/dbraw/zinc/10/73/70/1070107370.db2.gz NRSRLVONAPDCCT-JTHBVZDNSA-N 1 2 378.516 3.672 20 30 GHEDLO C=C[C@@H](CC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1)c1ccccc1 ZINC001462234468 1070107379 /nfs/dbraw/zinc/10/73/79/1070107379.db2.gz NRSRLVONAPDCCT-JTHBVZDNSA-N 1 2 378.516 3.672 20 30 GHEDLO COc1ccc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3C#N)CC2)cc1 ZINC001232607688 1038391729 /nfs/dbraw/zinc/39/17/29/1038391729.db2.gz URPKSVYAPOBUON-UHFFFAOYSA-N 1 2 383.879 3.615 20 30 GHEDLO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3c(Cl)ccnc3F)C2)CC1 ZINC001232616235 1038402667 /nfs/dbraw/zinc/40/26/67/1038402667.db2.gz XJBUAXRJZYHJMZ-UHFFFAOYSA-N 1 2 381.879 3.875 20 30 GHEDLO C=CCOC(=O)N1CCC2(CCC[N@H+](Cc3c(Cl)ccnc3F)C2)CC1 ZINC001232616235 1038402673 /nfs/dbraw/zinc/40/26/73/1038402673.db2.gz XJBUAXRJZYHJMZ-UHFFFAOYSA-N 1 2 381.879 3.875 20 30 GHEDLO N#Cc1ccc(O)c(C[NH+]2CCC3(CCN(C(=O)c4ccsc4)CC3)CC2)c1 ZINC001232677150 1038475858 /nfs/dbraw/zinc/47/58/58/1038475858.db2.gz ILAYMBWPXYPKQY-UHFFFAOYSA-N 1 2 395.528 3.844 20 30 GHEDLO CCC(=O)N(CC)C1CC[NH+](Cc2ccc(Br)c(C#N)c2)CC1 ZINC001232898591 1038692922 /nfs/dbraw/zinc/69/29/22/1038692922.db2.gz YBCFSRWITFWKTD-UHFFFAOYSA-N 1 2 378.314 3.544 20 30 GHEDLO N#Cc1cccc(C[NH+]2CCN(c3ccc(OCc4ccccc4)cc3)CC2)n1 ZINC001232928267 1038713436 /nfs/dbraw/zinc/71/34/36/1038713436.db2.gz PKHMPLUBRNDTJA-UHFFFAOYSA-N 1 2 384.483 3.854 20 30 GHEDLO N#CCC[N@H+](Cc1ccccc1)Cc1ccc(I)cc1O ZINC001232973844 1038744962 /nfs/dbraw/zinc/74/49/62/1038744962.db2.gz BQYLKYLSZXCIRM-UHFFFAOYSA-N 1 2 392.240 3.913 20 30 GHEDLO N#CCC[N@@H+](Cc1ccccc1)Cc1ccc(I)cc1O ZINC001232973844 1038744967 /nfs/dbraw/zinc/74/49/67/1038744967.db2.gz BQYLKYLSZXCIRM-UHFFFAOYSA-N 1 2 392.240 3.913 20 30 GHEDLO CN(C)c1ccc(C[NH+]2CC3(CC(OCc4ccccc4)C3)C2)c(F)c1C#N ZINC001233102159 1038882351 /nfs/dbraw/zinc/88/23/51/1038882351.db2.gz QHPVILOWIFLVIU-UHFFFAOYSA-N 1 2 379.479 3.945 20 30 GHEDLO N#Cc1nccnc1N1CC[NH+](Cc2cccc(Oc3ccc(F)cc3)c2)CC1 ZINC001233211167 1038972524 /nfs/dbraw/zinc/97/25/24/1038972524.db2.gz LNUAACGXFJKZMJ-UHFFFAOYSA-N 1 2 389.434 3.602 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1ccc(N)cc1Cl)CC2 ZINC001233374638 1039196921 /nfs/dbraw/zinc/19/69/21/1039196921.db2.gz LHGPGPZATXLBBA-UHFFFAOYSA-N 1 2 386.927 3.790 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1ccc(N)cc1Cl)CC2 ZINC001233374638 1039196929 /nfs/dbraw/zinc/19/69/29/1039196929.db2.gz LHGPGPZATXLBBA-UHFFFAOYSA-N 1 2 386.927 3.790 20 30 GHEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3c(Cl)cc(F)c(Br)c3Cl)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234346243 1039978511 /nfs/dbraw/zinc/97/85/11/1039978511.db2.gz FNBIPPVCVYHKDH-BWPCSFGTSA-N 1 2 397.071 3.886 20 30 GHEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3c(Cl)cc(F)c(Br)c3Cl)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234346243 1039978515 /nfs/dbraw/zinc/97/85/15/1039978515.db2.gz FNBIPPVCVYHKDH-BWPCSFGTSA-N 1 2 397.071 3.886 20 30 GHEDLO C=C[C@@H]1C[C@]1([NH2+][C@@H]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2)C(=O)OCC ZINC001254734332 1040493050 /nfs/dbraw/zinc/49/30/50/1040493050.db2.gz TTWOVTRZVANQNK-DRSNIGMVSA-N 1 2 392.540 3.654 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC2(CCC([NH2+]C3(C#N)CCOCC3)CC2)CC1 ZINC001254792032 1040551640 /nfs/dbraw/zinc/55/16/40/1040551640.db2.gz XPKTXSWOGVJILD-UHFFFAOYSA-N 1 2 377.529 3.609 20 30 GHEDLO N#Cc1cc(F)c(C[NH+]2CCC(N3C(=O)OC[C@H]3c3ccccc3)CC2)c(F)c1 ZINC001235652371 1041095179 /nfs/dbraw/zinc/09/51/79/1041095179.db2.gz VYKKGBAGBFPHOA-NRFANRHFSA-N 1 2 397.425 3.994 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1[C@@H](C)CSc1ccc(C)cc1 ZINC001255765568 1041281289 /nfs/dbraw/zinc/28/12/89/1041281289.db2.gz LWGXJJQZQFIQQM-FXAWDEMLSA-N 1 2 386.565 3.889 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1[C@@H](C)CSc1ccc(C)cc1 ZINC001255765568 1041281305 /nfs/dbraw/zinc/28/13/05/1041281305.db2.gz LWGXJJQZQFIQQM-FXAWDEMLSA-N 1 2 386.565 3.889 20 30 GHEDLO CO[C@@H](CN1CC[NH+](Cc2cn(C)c3ccc(C#N)cc23)CC1)c1ccccc1 ZINC001237472422 1042223665 /nfs/dbraw/zinc/22/36/65/1042223665.db2.gz HTNDMDRVHKRVBF-DEOSSOPVSA-N 1 2 388.515 3.555 20 30 GHEDLO N#Cc1cccc(N2C[C@@]3(CC[N@@H+](Cc4cc(Cl)cc(F)c4O)C3)CC2=O)c1 ZINC001237618725 1042284859 /nfs/dbraw/zinc/28/48/59/1042284859.db2.gz KLXVRIMWYJLIJE-NRFANRHFSA-N 1 2 399.853 3.685 20 30 GHEDLO N#Cc1cccc(N2C[C@@]3(CC[N@H+](Cc4cc(Cl)cc(F)c4O)C3)CC2=O)c1 ZINC001237618725 1042284869 /nfs/dbraw/zinc/28/48/69/1042284869.db2.gz KLXVRIMWYJLIJE-NRFANRHFSA-N 1 2 399.853 3.685 20 30 GHEDLO COc1cc(C[N@@H+]2CCC[C@H](CC#N)C2)c(Br)c(OC)c1OC ZINC001237963082 1042438643 /nfs/dbraw/zinc/43/86/43/1042438643.db2.gz QSPRBYZDNSFTDR-GFCCVEGCSA-N 1 2 383.286 3.601 20 30 GHEDLO COc1cc(C[N@H+]2CCC[C@H](CC#N)C2)c(Br)c(OC)c1OC ZINC001237963082 1042438646 /nfs/dbraw/zinc/43/86/46/1042438646.db2.gz QSPRBYZDNSFTDR-GFCCVEGCSA-N 1 2 383.286 3.601 20 30 GHEDLO COc1cc(C[N@@H+]2CCC[C@H](C#N)CC2)c(Br)c(OC)c1OC ZINC001237961287 1042438886 /nfs/dbraw/zinc/43/88/86/1042438886.db2.gz BKVHHLBQYYORGP-LBPRGKRZSA-N 1 2 383.286 3.601 20 30 GHEDLO COc1cc(C[N@H+]2CCC[C@H](C#N)CC2)c(Br)c(OC)c1OC ZINC001237961287 1042438891 /nfs/dbraw/zinc/43/88/91/1042438891.db2.gz BKVHHLBQYYORGP-LBPRGKRZSA-N 1 2 383.286 3.601 20 30 GHEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cc(C)cc(Br)c2OC)C1 ZINC001238333029 1042559512 /nfs/dbraw/zinc/55/95/12/1042559512.db2.gz RUQBRETWDQVKPT-HNNXBMFYSA-N 1 2 397.313 3.643 20 30 GHEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cc(C)cc(Br)c2OC)C1 ZINC001238333029 1042559513 /nfs/dbraw/zinc/55/95/13/1042559513.db2.gz RUQBRETWDQVKPT-HNNXBMFYSA-N 1 2 397.313 3.643 20 30 GHEDLO C=CCOCc1ncn2c1C[N@H+](Cc1cc(F)c(F)cc1OCC)CCC2 ZINC001238655335 1042672523 /nfs/dbraw/zinc/67/25/23/1042672523.db2.gz MRLXQZCGUCFSBG-UHFFFAOYSA-N 1 2 377.435 3.669 20 30 GHEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1cc(F)c(F)cc1OCC)CCC2 ZINC001238655335 1042672526 /nfs/dbraw/zinc/67/25/26/1042672526.db2.gz MRLXQZCGUCFSBG-UHFFFAOYSA-N 1 2 377.435 3.669 20 30 GHEDLO C=CCOC[C@H]1C[N@@H+](Cc2cc(C)c(C)cc2OC)Cc2nnn(CC3CC3)c21 ZINC001238757313 1042716385 /nfs/dbraw/zinc/71/63/85/1042716385.db2.gz PZFASVKAFAZNMM-HXUWFJFHSA-N 1 2 396.535 3.616 20 30 GHEDLO C=CCOC[C@H]1C[N@H+](Cc2cc(C)c(C)cc2OC)Cc2nnn(CC3CC3)c21 ZINC001238757313 1042716392 /nfs/dbraw/zinc/71/63/92/1042716392.db2.gz PZFASVKAFAZNMM-HXUWFJFHSA-N 1 2 396.535 3.616 20 30 GHEDLO N#Cc1cccc(N2CC[NH+](Cc3cccnc3OCc3ccccc3)CC2)c1 ZINC001238778187 1042724333 /nfs/dbraw/zinc/72/43/33/1042724333.db2.gz OFHSXCUWNGPABZ-UHFFFAOYSA-N 1 2 384.483 3.854 20 30 GHEDLO C#C[C@@H](NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Br)cc1 ZINC001298541302 1045862682 /nfs/dbraw/zinc/86/26/82/1045862682.db2.gz FIPSTKZPBHHEAU-LJQANCHMSA-N 1 2 394.272 3.668 20 30 GHEDLO C=CCN(C)c1nnc(-c2cccc3cccnc32)n1Cc1c[nH+]ccc1OC ZINC001301282503 1046451744 /nfs/dbraw/zinc/45/17/44/1046451744.db2.gz DPCKGHBTXMKAKL-UHFFFAOYSA-N 1 2 386.459 3.567 20 30 GHEDLO C=CCN(C)c1nnc(COc2ccccc2F)n1CCCc1cccc(C)[nH+]1 ZINC001301309695 1046471888 /nfs/dbraw/zinc/47/18/88/1046471888.db2.gz VBXBJHJFGCDVQM-UHFFFAOYSA-N 1 2 395.482 3.955 20 30 GHEDLO Cc1cccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCCc2cccc(C)[nH+]2)n1 ZINC001304486687 1047690122 /nfs/dbraw/zinc/69/01/22/1047690122.db2.gz NVMJLNMIUXBZBM-INIZCTEOSA-N 1 2 389.507 3.581 20 30 GHEDLO N#Cc1cccc(C[NH+]2CC3(C2)CCN(C(=O)Cc2ccsc2)C3)c1Cl ZINC001279320602 1047766999 /nfs/dbraw/zinc/76/69/99/1047766999.db2.gz VPVMGNPSFTXHTP-UHFFFAOYSA-N 1 2 385.920 3.550 20 30 GHEDLO Cn1cc(C[NH+]2CC3(CN(Cc4c(Cl)ccc(F)c4Cl)C3)C2)cc1C#N ZINC001279662501 1047902979 /nfs/dbraw/zinc/90/29/79/1047902979.db2.gz QJXJLIHUKFFACP-UHFFFAOYSA-N 1 2 393.293 3.660 20 30 GHEDLO N#CC1(NC(=O)[C@H]2CCC3(C2)CC[NH+](Cc2csc(Cl)n2)CC3)CCC1 ZINC001279857417 1047970834 /nfs/dbraw/zinc/97/08/34/1047970834.db2.gz WXIQNRSVHSWAKL-AWEZNQCLSA-N 1 2 392.956 3.741 20 30 GHEDLO N#CC1(NC(=O)[C@H]2CC23CC[NH+](Cc2c(Cl)cncc2Cl)CC3)CCC1 ZINC001279957212 1048012132 /nfs/dbraw/zinc/01/21/32/1048012132.db2.gz OGQXCGRSQHBPAJ-CQSZACIVSA-N 1 2 393.318 3.553 20 30 GHEDLO C=CCCC[N@H+]1CCOc2c(cc(Br)cc2C(=O)N2CC=CC2)C1 ZINC001280120579 1048093424 /nfs/dbraw/zinc/09/34/24/1048093424.db2.gz KQXBBAAKGIRVCZ-UHFFFAOYSA-N 1 2 391.309 3.622 20 30 GHEDLO C=CCCC[N@@H+]1CCOc2c(cc(Br)cc2C(=O)N2CC=CC2)C1 ZINC001280120579 1048093433 /nfs/dbraw/zinc/09/34/33/1048093433.db2.gz KQXBBAAKGIRVCZ-UHFFFAOYSA-N 1 2 391.309 3.622 20 30 GHEDLO C#C[C@H](C)N(C)c1nnc([C@H](C)CC)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001286275515 1048246901 /nfs/dbraw/zinc/24/69/01/1048246901.db2.gz SUYIIDXCKIRNEB-MSOLQXFVSA-N 1 2 376.508 3.543 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2Cc2c(C)oc3ccccc32)CC1 ZINC001286472221 1048336707 /nfs/dbraw/zinc/33/67/07/1048336707.db2.gz RIRFWCGFLMJQJR-KRWDZBQOSA-N 1 2 391.519 3.650 20 30 GHEDLO C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001286687923 1048448829 /nfs/dbraw/zinc/44/88/29/1048448829.db2.gz SPYOYFYZVWXEPT-LJQANCHMSA-N 1 2 396.539 3.598 20 30 GHEDLO C=CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1Cc1c[nH+]ccc1OC ZINC001286729220 1048486051 /nfs/dbraw/zinc/48/60/51/1048486051.db2.gz OLUPKWZXNRWHNO-UHFFFAOYSA-N 1 2 393.491 3.548 20 30 GHEDLO C=CCN(c1nnc(CC)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C)C1CC1 ZINC001286735943 1048494584 /nfs/dbraw/zinc/49/45/84/1048494584.db2.gz TYRMSYSVTXLNTB-KRWDZBQOSA-N 1 2 375.467 3.576 20 30 GHEDLO CCCN(CC)c1nnc(-c2ccc(C#N)cc2)n1CCCNc1cccc[nH+]1 ZINC001306791360 1048896250 /nfs/dbraw/zinc/89/62/50/1048896250.db2.gz PTYQDWGDBUUPDU-UHFFFAOYSA-N 1 2 389.507 3.950 20 30 GHEDLO C=CC[C@H]1CC[N@H+]1[C@@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 ZINC001308141058 1049880452 /nfs/dbraw/zinc/88/04/52/1049880452.db2.gz OYISHLMQWHGBPV-KBPBESRZSA-N 1 2 376.522 3.781 20 30 GHEDLO C=CC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 ZINC001308141058 1049880454 /nfs/dbraw/zinc/88/04/54/1049880454.db2.gz OYISHLMQWHGBPV-KBPBESRZSA-N 1 2 376.522 3.781 20 30 GHEDLO CC(C)(C)OC(=O)NC(C)(C)c1cc(C[NH2+]Cc2cc(C#N)ccc2F)on1 ZINC001308941632 1050202190 /nfs/dbraw/zinc/20/21/90/1050202190.db2.gz YNDJEWFWRDFAPH-UHFFFAOYSA-N 1 2 388.443 3.735 20 30 GHEDLO C#C[C@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc(Cl)cc1 ZINC001311352649 1052049352 /nfs/dbraw/zinc/04/93/52/1052049352.db2.gz RCRNDQUVQJZIQS-FQEVSTJZSA-N 1 2 378.863 3.759 20 30 GHEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001313004169 1052931239 /nfs/dbraw/zinc/93/12/39/1052931239.db2.gz FEPPCEPOUAAEEP-RTBURBONSA-N 1 2 385.556 3.875 20 30 GHEDLO CCN(CC)c1nnc(-c2ccc(C#N)cc2)n1CCc1cn2ccccc2[nH+]1 ZINC001313682865 1053166842 /nfs/dbraw/zinc/16/68/42/1053166842.db2.gz RLWWBNAPODNXDF-UHFFFAOYSA-N 1 2 385.475 3.553 20 30 GHEDLO CC(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC(CCF)CC1 ZINC001343012273 1053496507 /nfs/dbraw/zinc/49/65/07/1053496507.db2.gz QRTZGMXIRKILRI-UHFFFAOYSA-N 1 2 390.551 3.603 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N(C[C@H]1CCOC1)C1CC1 ZINC001343575729 1053900737 /nfs/dbraw/zinc/90/07/37/1053900737.db2.gz IYPCPAAKXWYENJ-UYAOXDASSA-N 1 2 398.555 3.692 20 30 GHEDLO COc1cc[nH+]cc1Cn1c(CC2CCCC2)nnc1N1CCC(C)(C#N)CC1 ZINC001315671238 1053908931 /nfs/dbraw/zinc/90/89/31/1053908931.db2.gz DEUPHQBRHCFMAG-UHFFFAOYSA-N 1 2 394.523 3.593 20 30 GHEDLO C=C(C)CN(CC)c1nnc([C@@H](CC(C)C)n2cc[nH+]c2)n1C[C@@H]1CCCO1 ZINC001345342604 1054996116 /nfs/dbraw/zinc/99/61/16/1054996116.db2.gz WLXHHBBJVVEVDF-RBUKOAKNSA-N 1 2 386.544 3.692 20 30 GHEDLO N#CCOc1ccc(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1 ZINC001319335073 1055188404 /nfs/dbraw/zinc/18/84/04/1055188404.db2.gz CDGNJJDTFOBKQY-SFTDATJTSA-N 1 2 387.443 3.836 20 30 GHEDLO CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC[N@@H+]2C)n1Cc1ccccc1 ZINC001354331237 1056534997 /nfs/dbraw/zinc/53/49/97/1056534997.db2.gz WTAAMAHKZPNHMY-NRFANRHFSA-N 1 2 386.503 3.601 20 30 GHEDLO CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC[N@H+]2C)n1Cc1ccccc1 ZINC001354331237 1056535015 /nfs/dbraw/zinc/53/50/15/1056535015.db2.gz WTAAMAHKZPNHMY-NRFANRHFSA-N 1 2 386.503 3.601 20 30 GHEDLO C#C[C@]1(C)CCCN1c1nnc([C@@H](C)CC)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001300779684 1057016047 /nfs/dbraw/zinc/01/60/47/1057016047.db2.gz DICRBEDASVSUMK-AQOAWAETSA-N 1 2 380.540 3.866 20 30 GHEDLO CC(C)(C)OC(=O)N1CCCC[C@H]1[C@H]1CCCC1=NNCCCn1cc[nH+]c1 ZINC000848416787 1057074851 /nfs/dbraw/zinc/07/48/51/1057074851.db2.gz YKKNPJQKIRUUSO-HKUYNNGSSA-N 1 2 389.544 3.809 20 30 GHEDLO C[C@H](c1ccccc1)[C@H]1CCCN1c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001355479273 1057177714 /nfs/dbraw/zinc/17/77/14/1057177714.db2.gz CHRTWSOJUCBCIV-WIYYLYMNSA-N 1 2 392.551 3.681 20 30 GHEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1C[C@@H](c2ccccc2)C[C@@H]1C ZINC001355976613 1057340912 /nfs/dbraw/zinc/34/09/12/1057340912.db2.gz NBVXIGPKRKPEMS-HKUYNNGSSA-N 1 2 376.508 3.561 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N(C)C[C@]12CCC[C@H]1OCC2 ZINC001356094271 1057387367 /nfs/dbraw/zinc/38/73/67/1057387367.db2.gz IXRCWPPTWWBKOH-WOIUINJBSA-N 1 2 398.555 3.692 20 30 GHEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N(C)Cc1cc(C)on1 ZINC001338996273 1058919054 /nfs/dbraw/zinc/91/90/54/1058919054.db2.gz YCRFKOQOIPVHKS-QGZVFWFLSA-N 1 2 380.496 3.590 20 30 GHEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N(C)Cc1cc(C)on1 ZINC001338996273 1058919056 /nfs/dbraw/zinc/91/90/56/1058919056.db2.gz YCRFKOQOIPVHKS-QGZVFWFLSA-N 1 2 380.496 3.590 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2Cc2ccccc2)nnc1N1CC[C@H](C)[C@H]1C ZINC001339091461 1058956429 /nfs/dbraw/zinc/95/64/29/1058956429.db2.gz UQBXZQDXSKNGHF-ZWKOTPCHSA-N 1 2 376.508 3.534 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[C@H](COCc2ccccc2)C1 ZINC001339528725 1059279433 /nfs/dbraw/zinc/27/94/33/1059279433.db2.gz LNNQLIYLJBLDRG-LEWJYISDSA-N 1 2 395.551 3.664 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[C@H](COCc2ccccc2)C1 ZINC001339528725 1059279451 /nfs/dbraw/zinc/27/94/51/1059279451.db2.gz LNNQLIYLJBLDRG-LEWJYISDSA-N 1 2 395.551 3.664 20 30 GHEDLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)C#Cc1cccs1 ZINC001446516795 1059788371 /nfs/dbraw/zinc/78/83/71/1059788371.db2.gz NVKUOGCZNWYJBR-UWJYYQICSA-N 1 2 381.545 3.562 20 30 GHEDLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C#Cc1cccs1 ZINC001446516795 1059788390 /nfs/dbraw/zinc/78/83/90/1059788390.db2.gz NVKUOGCZNWYJBR-UWJYYQICSA-N 1 2 381.545 3.562 20 30 GHEDLO CC(C)C[C@@H](C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)n1cc[nH+]c1 ZINC001446789249 1059858639 /nfs/dbraw/zinc/85/86/39/1059858639.db2.gz NMDKDBGNDDSFSE-KRWDZBQOSA-N 1 2 382.855 3.820 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1C[C@@H](C)OC2(CCCC2)C1 ZINC001340516967 1059959761 /nfs/dbraw/zinc/95/97/61/1059959761.db2.gz QDRYLVRGMPRUNC-RTBURBONSA-N 1 2 398.555 3.834 20 30 GHEDLO CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1Cc2ccc(C#N)cc2C1 ZINC001340959809 1060286837 /nfs/dbraw/zinc/28/68/37/1060286837.db2.gz NIRZIISFGHJOQI-LJQANCHMSA-N 1 2 375.480 3.522 20 30 GHEDLO C/C(=C\C(=O)Nc1ccc(Sc2ccccc2C#N)cc1)C[NH+]1CCOCC1 ZINC001449578792 1060427981 /nfs/dbraw/zinc/42/79/81/1060427981.db2.gz WOOISALBQZPCKM-SAPNQHFASA-N 1 2 393.512 3.926 20 30 GHEDLO C=C(C)Cn1c(Cc2[nH+]ccn2Cc2ccccc2)nnc1N1CC2CC1(C)C2 ZINC001341756029 1060863371 /nfs/dbraw/zinc/86/33/71/1060863371.db2.gz NECOYOIRFNQKFQ-UHFFFAOYSA-N 1 2 388.519 3.679 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCOCC2(CC2)C1 ZINC001341902568 1060944532 /nfs/dbraw/zinc/94/45/32/1060944532.db2.gz IWPICACXBFNBPR-IBGZPJMESA-N 1 2 395.551 3.664 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCOCC2(CC2)C1 ZINC001341902568 1060944534 /nfs/dbraw/zinc/94/45/34/1060944534.db2.gz IWPICACXBFNBPR-IBGZPJMESA-N 1 2 395.551 3.664 20 30 GHEDLO CC(C)C[C@H](c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccccc1)n1cc[nH+]c1 ZINC001342215376 1061141053 /nfs/dbraw/zinc/14/10/53/1061141053.db2.gz KMLKJNYZWRJYKX-UYAOXDASSA-N 1 2 391.523 3.897 20 30 GHEDLO C[C@@H]1CCCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2Cc2cccs2)C1 ZINC001345970969 1061252036 /nfs/dbraw/zinc/25/20/36/1061252036.db2.gz YQXGYLXLNBFHHI-QGZVFWFLSA-N 1 2 398.580 3.717 20 30 GHEDLO N#CCC[NH+]1CCC(c2nnc(N3CCC[C@@H]4CCC[C@@H]43)n2CC2CC2)CC1 ZINC001346602812 1061722808 /nfs/dbraw/zinc/72/28/08/1061722808.db2.gz RDYLVIAEBHJSLE-ICSRJNTNSA-N 1 2 382.556 3.550 20 30 GHEDLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C#N)cc1F ZINC001435624384 1062788512 /nfs/dbraw/zinc/78/85/12/1062788512.db2.gz LJHPDFYIEBMNBK-KSFYIVLOSA-N 1 2 394.494 3.774 20 30 GHEDLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C#N)cc1F ZINC001435624384 1062788532 /nfs/dbraw/zinc/78/85/32/1062788532.db2.gz LJHPDFYIEBMNBK-KSFYIVLOSA-N 1 2 394.494 3.774 20 30 GHEDLO N#Cc1ccc(N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C2CCC2)cc1 ZINC001437966848 1063956391 /nfs/dbraw/zinc/95/63/91/1063956391.db2.gz PNCJVMHWEDDFPE-UHFFFAOYSA-N 1 2 387.399 3.851 20 30 GHEDLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC001350055927 1063974803 /nfs/dbraw/zinc/97/48/03/1063974803.db2.gz CORKTMQCAXCFAV-UXHICEINSA-N 1 2 389.503 3.598 20 30 GHEDLO CCOc1ccc(C[NH+]2CCN(C(=O)[C@H](C#N)CCc3ccccc3)CC2)cc1 ZINC001463833561 1064657344 /nfs/dbraw/zinc/65/73/44/1064657344.db2.gz KDFVZVBRTGSWPS-QFIPXVFZSA-N 1 2 391.515 3.502 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)CC1 ZINC000847411389 1065244231 /nfs/dbraw/zinc/24/42/31/1065244231.db2.gz BZUYULMDYJKHJA-UHFFFAOYSA-N 1 2 394.475 3.666 20 30 GHEDLO CC#CCNC(=O)NC[C@@H](c1ccc(SC)cc1)[N@@H+]1CCc2sccc2C1 ZINC001467780786 1067465558 /nfs/dbraw/zinc/46/55/58/1067465558.db2.gz GEVTZBAHEPQPDG-IBGZPJMESA-N 1 2 399.585 3.892 20 30 GHEDLO CC#CCNC(=O)NC[C@@H](c1ccc(SC)cc1)[N@H+]1CCc2sccc2C1 ZINC001467780786 1067465560 /nfs/dbraw/zinc/46/55/60/1067465560.db2.gz GEVTZBAHEPQPDG-IBGZPJMESA-N 1 2 399.585 3.892 20 30 GHEDLO C=CCCCCn1c(N2CC[NH+](Cc3cc(C)no3)CC2)nnc1C(C)(C)C ZINC001359207084 1067779849 /nfs/dbraw/zinc/77/98/49/1067779849.db2.gz YRBSXJASEUBOKX-UHFFFAOYSA-N 1 2 386.544 3.551 20 30 GHEDLO CC(C)[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1F ZINC001470738666 1072714788 /nfs/dbraw/zinc/71/47/88/1072714788.db2.gz YGXQUOPLVYEREF-QFIPXVFZSA-N 1 2 394.494 3.922 20 30 GHEDLO C=C(C)CONC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC001478905652 1079023034 /nfs/dbraw/zinc/02/30/34/1079023034.db2.gz JNMIHIPYMJRNMX-UHFFFAOYSA-N 1 2 389.496 3.889 20 30 GHEDLO CN(CCCNC(=O)c1cn(CCCC#N)c2ccccc12)c1cccc[nH+]1 ZINC001471493597 1073102407 /nfs/dbraw/zinc/10/24/07/1073102407.db2.gz AXFZVILIKWXYCF-UHFFFAOYSA-N 1 2 375.476 3.596 20 30 GHEDLO C[C@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001472532778 1073536215 /nfs/dbraw/zinc/53/62/15/1073536215.db2.gz LZVGWHWROUUXMT-HNNXBMFYSA-N 1 2 383.411 3.890 20 30 GHEDLO C[N@H+](CCc1cccc(C#N)c1)CC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC001473731806 1074113741 /nfs/dbraw/zinc/11/37/41/1074113741.db2.gz HEEAKLLEFPYLLQ-UHFFFAOYSA-N 1 2 397.478 3.902 20 30 GHEDLO C[N@@H+](CCc1cccc(C#N)c1)CC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC001473731806 1074113744 /nfs/dbraw/zinc/11/37/44/1074113744.db2.gz HEEAKLLEFPYLLQ-UHFFFAOYSA-N 1 2 397.478 3.902 20 30 GHEDLO COc1cccc2c(C[NH2+][C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cccc12 ZINC001474425161 1074401368 /nfs/dbraw/zinc/40/13/68/1074401368.db2.gz ZRDZKVJGAIMDHV-LPHOPBHVSA-N 1 2 381.476 3.697 20 30 GHEDLO C=CC[N@H+](Cc1ccc2nccnc2c1)[C@H](Cc1ccccc1)C(=O)OCC ZINC001474444752 1074409082 /nfs/dbraw/zinc/40/90/82/1074409082.db2.gz PJCIMHNNQDDDGZ-JOCHJYFZSA-N 1 2 375.472 3.792 20 30 GHEDLO C=CC[N@@H+](Cc1ccc2nccnc2c1)[C@H](Cc1ccccc1)C(=O)OCC ZINC001474444752 1074409085 /nfs/dbraw/zinc/40/90/85/1074409085.db2.gz PJCIMHNNQDDDGZ-JOCHJYFZSA-N 1 2 375.472 3.792 20 30 GHEDLO C[N@H+](CCC#N)C[C@H](O)CSc1nc2ccccc2n1CCc1ccccc1 ZINC000414094834 837502669 /nfs/dbraw/zinc/50/26/69/837502669.db2.gz JCEOYAFYAYMWKG-IBGZPJMESA-N 1 2 394.544 3.577 20 30 GHEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1nc2ccccc2n1CCc1ccccc1 ZINC000414094834 837502673 /nfs/dbraw/zinc/50/26/73/837502673.db2.gz JCEOYAFYAYMWKG-IBGZPJMESA-N 1 2 394.544 3.577 20 30 GHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](Cc2ccncc2)C2CC2)c1C#N ZINC000180759781 837519152 /nfs/dbraw/zinc/51/91/52/837519152.db2.gz STBSDCBSZNEEIY-UHFFFAOYSA-N 1 2 399.498 3.964 20 30 GHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](Cc2ccncc2)C2CC2)c1C#N ZINC000180759781 837519159 /nfs/dbraw/zinc/51/91/59/837519159.db2.gz STBSDCBSZNEEIY-UHFFFAOYSA-N 1 2 399.498 3.964 20 30 GHEDLO COc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)c(C(F)(F)F)c1 ZINC001143479230 837786310 /nfs/dbraw/zinc/78/63/10/837786310.db2.gz STAOUJJIFOZDHE-UHFFFAOYSA-N 1 2 375.394 3.908 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)NCc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179139009 834945930 /nfs/dbraw/zinc/94/59/30/834945930.db2.gz VKKBPNRQVZTJKO-MOPGFXCFSA-N 1 2 386.858 3.595 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)NCc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179139009 834945938 /nfs/dbraw/zinc/94/59/38/834945938.db2.gz VKKBPNRQVZTJKO-MOPGFXCFSA-N 1 2 386.858 3.595 20 30 GHEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H](C#N)CCc1ccccc1 ZINC000433355206 844039488 /nfs/dbraw/zinc/03/94/88/844039488.db2.gz OUFDQOSMRFLNPD-NRFANRHFSA-N 1 2 377.488 3.538 20 30 GHEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1O ZINC000471179673 835476678 /nfs/dbraw/zinc/47/66/78/835476678.db2.gz YMJVLRAILYACGP-OAHLLOKOSA-N 1 2 399.516 3.723 20 30 GHEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1O ZINC000471179673 835476681 /nfs/dbraw/zinc/47/66/81/835476681.db2.gz YMJVLRAILYACGP-OAHLLOKOSA-N 1 2 399.516 3.723 20 30 GHEDLO CON=Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000255583640 835519278 /nfs/dbraw/zinc/51/92/78/835519278.db2.gz RWWSNCFRNOYGJU-RBUKOAKNSA-N 1 2 389.858 3.635 20 30 GHEDLO CON=Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000255583640 835519286 /nfs/dbraw/zinc/51/92/86/835519286.db2.gz RWWSNCFRNOYGJU-RBUKOAKNSA-N 1 2 389.858 3.635 20 30 GHEDLO N#C[C@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)c1ccccc1Cl ZINC000179552273 835663031 /nfs/dbraw/zinc/66/30/31/835663031.db2.gz VEPCWYRYIVQOAQ-RBUKOAKNSA-N 1 2 385.920 3.811 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@](C)(C#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000612145646 835670783 /nfs/dbraw/zinc/67/07/83/835670783.db2.gz PWNGNNODJSVANH-LNLFQRSKSA-N 1 2 378.879 3.560 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)N2CCC[C@@](C)(C#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000612145646 835670788 /nfs/dbraw/zinc/67/07/88/835670788.db2.gz PWNGNNODJSVANH-LNLFQRSKSA-N 1 2 378.879 3.560 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000612174353 835778347 /nfs/dbraw/zinc/77/83/47/835778347.db2.gz FECCOCBUTRDEJY-BBRMVZONSA-N 1 2 399.491 3.728 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000612174353 835778357 /nfs/dbraw/zinc/77/83/57/835778357.db2.gz FECCOCBUTRDEJY-BBRMVZONSA-N 1 2 399.491 3.728 20 30 GHEDLO Cc1nc(C#N)cc(NCC2([NH+](Cc3ccccc3)Cc3ccccc3)COC2)n1 ZINC000705859922 836779082 /nfs/dbraw/zinc/77/90/82/836779082.db2.gz GMEQPLIULGOSIM-UHFFFAOYSA-N 1 2 399.498 3.540 20 30 GHEDLO COc1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)c(C(F)(F)F)c1 ZINC001143472020 837271988 /nfs/dbraw/zinc/27/19/88/837271988.db2.gz OZERADGIMXULOB-UHFFFAOYSA-N 1 2 375.394 3.908 20 30 GHEDLO C[C@@H]1Cc2ccccc2N1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000328754545 838093184 /nfs/dbraw/zinc/09/31/84/838093184.db2.gz DTTKUCSQCSRPFR-BEFAXECRSA-N 1 2 380.492 3.835 20 30 GHEDLO C[C@@H]1Cc2ccccc2N1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000328754545 838093195 /nfs/dbraw/zinc/09/31/95/838093195.db2.gz DTTKUCSQCSRPFR-BEFAXECRSA-N 1 2 380.492 3.835 20 30 GHEDLO Cc1ccnc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)C2)c1 ZINC000578905051 838103924 /nfs/dbraw/zinc/10/39/24/838103924.db2.gz ZGVIXJJQUHIBOP-LSDHHAIUSA-N 1 2 380.517 3.628 20 30 GHEDLO Cc1ccnc([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)C2)c1 ZINC000578905051 838103932 /nfs/dbraw/zinc/10/39/32/838103932.db2.gz ZGVIXJJQUHIBOP-LSDHHAIUSA-N 1 2 380.517 3.628 20 30 GHEDLO N#Cc1ccc(S(=O)(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1C(F)(F)F ZINC000177925956 838248592 /nfs/dbraw/zinc/24/85/92/838248592.db2.gz DHBIVBGWIYVUAO-UHFFFAOYSA-N 1 2 392.362 3.564 20 30 GHEDLO COc1ccc(OC)c(C[NH+]2CCN(c3cccc(C(F)F)c3C#N)CC2)c1 ZINC000580012364 838351859 /nfs/dbraw/zinc/35/18/59/838351859.db2.gz WNHFDBYFJQHLRA-UHFFFAOYSA-N 1 2 387.430 3.835 20 30 GHEDLO C[C@@H](NC(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1)c1ccc2ccccc2c1 ZINC000376595814 838416329 /nfs/dbraw/zinc/41/63/29/838416329.db2.gz RBZAGMDJBPJHAM-LJQANCHMSA-N 1 2 398.510 3.969 20 30 GHEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cccc(OC)c2OCc2ccccc2F)C1=O ZINC000549153220 839072280 /nfs/dbraw/zinc/07/22/80/839072280.db2.gz FZGSILXPHQGAGD-HXUWFJFHSA-N 1 2 398.478 3.632 20 30 GHEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cccc(OC)c2OCc2ccccc2F)C1=O ZINC000549153220 839072288 /nfs/dbraw/zinc/07/22/88/839072288.db2.gz FZGSILXPHQGAGD-HXUWFJFHSA-N 1 2 398.478 3.632 20 30 GHEDLO Cc1cccc([C@H](CN=Cc2cc3ccccc3[nH]c2=O)[NH+]2CCOCC2)c1 ZINC000122564152 839722234 /nfs/dbraw/zinc/72/22/34/839722234.db2.gz NEIBGFZQGQEHTR-NMWDDECMSA-N 1 2 375.472 3.741 20 30 GHEDLO C=CCOc1ccc(C[NH2+]Cc2ncc(I)s2)cc1 ZINC000512552587 844510349 /nfs/dbraw/zinc/51/03/49/844510349.db2.gz QLHKVFDNYMBJDM-UHFFFAOYSA-N 1 2 386.258 3.602 20 30 GHEDLO N#CCCN(CCC#N)C(=O)C[NH+]1CCC(c2ccc(Cl)cc2Cl)CC1 ZINC000428734555 844550845 /nfs/dbraw/zinc/55/08/45/844550845.db2.gz ZRVMTXBHYKRPGC-UHFFFAOYSA-N 1 2 393.318 3.829 20 30 GHEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N(C)Cc2cccc(C#N)c2)C[C@H](C)O1 ZINC000047569784 841020703 /nfs/dbraw/zinc/02/07/03/841020703.db2.gz BOAUAPZHAMTPDL-ROUUACIJSA-N 1 2 392.503 3.831 20 30 GHEDLO C=CCOc1cccc(C[NH+]2CCN(C(=O)c3ccc(C)c(OC)c3)CC2)c1 ZINC000510392418 841149025 /nfs/dbraw/zinc/14/90/25/841149025.db2.gz DMVLHYYBJSLNJA-UHFFFAOYSA-N 1 2 380.488 3.526 20 30 GHEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CCC(CCC#N)CC2)c(C)c1 ZINC000581367275 841171606 /nfs/dbraw/zinc/17/16/06/841171606.db2.gz QFUBMVAMGQXOTN-OAQYLSRUSA-N 1 2 379.508 3.967 20 30 GHEDLO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000329348827 861311520 /nfs/dbraw/zinc/31/15/20/861311520.db2.gz SJCFGFKPOFUMDG-AOIWGVFYSA-N 1 2 396.539 3.643 20 30 GHEDLO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000329348827 861311546 /nfs/dbraw/zinc/31/15/46/861311546.db2.gz SJCFGFKPOFUMDG-AOIWGVFYSA-N 1 2 396.539 3.643 20 30 GHEDLO N#CCCC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000487371650 842460974 /nfs/dbraw/zinc/46/09/74/842460974.db2.gz LPMKCLXVAVZQDO-GOSISDBHSA-N 1 2 389.415 3.945 20 30 GHEDLO C=CCOc1ccc(Br)cc1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000652431602 842519193 /nfs/dbraw/zinc/51/91/93/842519193.db2.gz DGGSLYKYUVVIDV-UHFFFAOYSA-N 1 2 390.281 3.728 20 30 GHEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000255387653 842626859 /nfs/dbraw/zinc/62/68/59/842626859.db2.gz YLJGCDNOZXRMOO-RAXLEYEMSA-N 1 2 380.469 3.947 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[N@H+](C)CCc2nc(-c3ccccc3)no2)c1C ZINC000512153229 842664513 /nfs/dbraw/zinc/66/45/13/842664513.db2.gz RFIUYTKDSJRYDZ-UHFFFAOYSA-N 1 2 378.476 3.698 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[N@@H+](C)CCc2nc(-c3ccccc3)no2)c1C ZINC000512153229 842664517 /nfs/dbraw/zinc/66/45/17/842664517.db2.gz RFIUYTKDSJRYDZ-UHFFFAOYSA-N 1 2 378.476 3.698 20 30 GHEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)c1 ZINC000510607278 843040094 /nfs/dbraw/zinc/04/00/94/843040094.db2.gz GFVQFLNRQFTHHX-OAQYLSRUSA-N 1 2 379.479 3.801 20 30 GHEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)c1 ZINC000510607278 843040102 /nfs/dbraw/zinc/04/01/02/843040102.db2.gz GFVQFLNRQFTHHX-OAQYLSRUSA-N 1 2 379.479 3.801 20 30 GHEDLO C=CCOc1cccc(C[NH+]2CCN(C(=O)CCc3ccc(OC)cc3)CC2)c1 ZINC000512253990 843231531 /nfs/dbraw/zinc/23/15/31/843231531.db2.gz SPIMCXJUFQRLLH-UHFFFAOYSA-N 1 2 394.515 3.537 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)c(C#N)c1C ZINC000278899928 843637520 /nfs/dbraw/zinc/63/75/20/843637520.db2.gz JQKRNATUYPSPJC-RKDXNWHRSA-N 1 2 386.399 3.921 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](C(=O)OC)[C@H]2CCC[C@H]21 ZINC000599655426 861486908 /nfs/dbraw/zinc/48/69/08/861486908.db2.gz WPBSGUNJSMYHLM-SOLBZPMBSA-N 1 2 388.533 3.567 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C(=O)OC)[C@H]2CCC[C@H]21 ZINC000599655426 861486919 /nfs/dbraw/zinc/48/69/19/861486919.db2.gz WPBSGUNJSMYHLM-SOLBZPMBSA-N 1 2 388.533 3.567 20 30 GHEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1c(Cl)ccc(Cl)c1Cl ZINC000610931030 844866348 /nfs/dbraw/zinc/86/63/48/844866348.db2.gz HMWQSINQJRDSQF-UHFFFAOYSA-N 1 2 376.715 3.695 20 30 GHEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC001167497520 844883132 /nfs/dbraw/zinc/88/31/32/844883132.db2.gz ZWIJIAOATDTRKB-SJORKVTESA-N 1 2 396.922 3.917 20 30 GHEDLO C[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccc(C#N)cc1F ZINC000512653065 844900526 /nfs/dbraw/zinc/90/05/26/844900526.db2.gz CNIBQKOIQQFQEK-CQSZACIVSA-N 1 2 389.496 3.625 20 30 GHEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678369 861515838 /nfs/dbraw/zinc/51/58/38/861515838.db2.gz UVQGPKAPBXLAOM-AWEZNQCLSA-N 1 2 378.863 3.663 20 30 GHEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678369 861515849 /nfs/dbraw/zinc/51/58/49/861515849.db2.gz UVQGPKAPBXLAOM-AWEZNQCLSA-N 1 2 378.863 3.663 20 30 GHEDLO C=CC[N@H+](Cc1cccc(C#N)c1)[C@@H](C)C(=O)Nc1ccc(OC)cc1OC ZINC000411188669 845061383 /nfs/dbraw/zinc/06/13/83/845061383.db2.gz DOLUSYMVNSWXGU-INIZCTEOSA-N 1 2 379.460 3.591 20 30 GHEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@@H](C)C(=O)Nc1ccc(OC)cc1OC ZINC000411188669 845061389 /nfs/dbraw/zinc/06/13/89/845061389.db2.gz DOLUSYMVNSWXGU-INIZCTEOSA-N 1 2 379.460 3.591 20 30 GHEDLO COC(=O)c1cc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cc(C(=O)OC)c1 ZINC000501206485 846742678 /nfs/dbraw/zinc/74/26/78/846742678.db2.gz SAPDSKBXPGUXTN-RTWAWAEBSA-N 1 2 392.455 3.532 20 30 GHEDLO COC(=O)c1cc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cc(C(=O)OC)c1 ZINC000501206485 846742679 /nfs/dbraw/zinc/74/26/79/846742679.db2.gz SAPDSKBXPGUXTN-RTWAWAEBSA-N 1 2 392.455 3.532 20 30 GHEDLO CC(C)n1cnnc1[C@H]1CCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000287893577 847048166 /nfs/dbraw/zinc/04/81/66/847048166.db2.gz UKEYETZGGNZNTG-HNNXBMFYSA-N 1 2 388.313 3.873 20 30 GHEDLO CC(C)n1cnnc1[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000287893577 847048172 /nfs/dbraw/zinc/04/81/72/847048172.db2.gz UKEYETZGGNZNTG-HNNXBMFYSA-N 1 2 388.313 3.873 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2OCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152455954 847122484 /nfs/dbraw/zinc/12/24/84/847122484.db2.gz QLGYHQUJDPHJHZ-MJGOQNOKSA-N 1 2 387.842 3.557 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)c2ccccc2OCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152455954 847122490 /nfs/dbraw/zinc/12/24/90/847122490.db2.gz QLGYHQUJDPHJHZ-MJGOQNOKSA-N 1 2 387.842 3.557 20 30 GHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)[C@H](C)c2cccnc2)c1C#N ZINC000127717619 847350217 /nfs/dbraw/zinc/35/02/17/847350217.db2.gz YQHJWXIDKGTEHW-QGZVFWFLSA-N 1 2 391.475 3.644 20 30 GHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)[C@H](C)c2cccnc2)c1C#N ZINC000127717619 847350227 /nfs/dbraw/zinc/35/02/27/847350227.db2.gz YQHJWXIDKGTEHW-QGZVFWFLSA-N 1 2 391.475 3.644 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000119914517 848463370 /nfs/dbraw/zinc/46/33/70/848463370.db2.gz ZPEHLELBFUODHF-HOTGVXAUSA-N 1 2 381.505 3.734 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)cc1OC ZINC000628169179 848541464 /nfs/dbraw/zinc/54/14/64/848541464.db2.gz TWMOSKLYHPQWES-BBRMVZONSA-N 1 2 379.806 3.801 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)cc1OC ZINC000628169179 848541475 /nfs/dbraw/zinc/54/14/75/848541475.db2.gz TWMOSKLYHPQWES-BBRMVZONSA-N 1 2 379.806 3.801 20 30 GHEDLO Cc1nc(C(C)C)ccc1C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000582978828 848813996 /nfs/dbraw/zinc/81/39/96/848813996.db2.gz UWWKGLNXFAWMQW-UHFFFAOYSA-N 1 2 391.475 3.955 20 30 GHEDLO C[C@H](c1nc(Cc2ccccc2)no1)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000583345705 849667207 /nfs/dbraw/zinc/66/72/07/849667207.db2.gz OMYGYIGZVCRBNT-QGZVFWFLSA-N 1 2 376.460 3.742 20 30 GHEDLO C[C@H](c1nc(Cc2ccccc2)no1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000583345705 849667212 /nfs/dbraw/zinc/66/72/12/849667212.db2.gz OMYGYIGZVCRBNT-QGZVFWFLSA-N 1 2 376.460 3.742 20 30 GHEDLO C/C(=C/c1ccccc1C(F)(F)F)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000503954321 849797841 /nfs/dbraw/zinc/79/78/41/849797841.db2.gz VMYDPXDUQMLIKC-ICFOKQHNSA-N 1 2 381.442 3.657 20 30 GHEDLO C=CC[C@H](CC)NC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000504094459 849895535 /nfs/dbraw/zinc/89/55/35/849895535.db2.gz UMQIQGCIXPWYAW-AWEZNQCLSA-N 1 2 395.301 3.805 20 30 GHEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2c(F)cccc2N2CCCC2)CC1 ZINC000434980553 849949634 /nfs/dbraw/zinc/94/96/34/849949634.db2.gz AGZFKOMQBZPBEZ-QHCPKHFHSA-N 1 2 378.495 3.808 20 30 GHEDLO CC(=O)NCC[N@@H+](Cc1ccc(Br)s1)Cc1cc(C#N)cs1 ZINC000504547431 850138067 /nfs/dbraw/zinc/13/80/67/850138067.db2.gz QXDFRVOGRJTHGF-UHFFFAOYSA-N 1 2 398.351 3.582 20 30 GHEDLO CC(=O)NCC[N@H+](Cc1ccc(Br)s1)Cc1cc(C#N)cs1 ZINC000504547431 850138069 /nfs/dbraw/zinc/13/80/69/850138069.db2.gz QXDFRVOGRJTHGF-UHFFFAOYSA-N 1 2 398.351 3.582 20 30 GHEDLO C[C@@H](c1cccnc1)[NH+]1CCN(c2nc3c(cc2C#N)CCCC3(C)C)CC1 ZINC000514770055 850268918 /nfs/dbraw/zinc/26/89/18/850268918.db2.gz ZLSFIEYOBYEVSM-KRWDZBQOSA-N 1 2 375.520 3.845 20 30 GHEDLO C=CCOc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)cc1OC ZINC000519089383 850596405 /nfs/dbraw/zinc/59/64/05/850596405.db2.gz MIDQSBBVFIVKND-KRWDZBQOSA-N 1 2 398.478 3.918 20 30 GHEDLO C=CCC1(C(=O)N[C@H]2CC[N@@H+](CC)[C@@H]2c2cc(F)c(F)c(F)c2)CCOCC1 ZINC000424753832 850675101 /nfs/dbraw/zinc/67/51/01/850675101.db2.gz BXCMGKLNFUCRLL-PKOBYXMFSA-N 1 2 396.453 3.728 20 30 GHEDLO C=CCC1(C(=O)N[C@H]2CC[N@H+](CC)[C@@H]2c2cc(F)c(F)c(F)c2)CCOCC1 ZINC000424753832 850675109 /nfs/dbraw/zinc/67/51/09/850675109.db2.gz BXCMGKLNFUCRLL-PKOBYXMFSA-N 1 2 396.453 3.728 20 30 GHEDLO C=C(C)Cn1c([C@H]2CC[C@@H](C)O2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000909298988 850680059 /nfs/dbraw/zinc/68/00/59/850680059.db2.gz SIHDRRJMXZXUNI-SJLPKXTDSA-N 1 2 382.512 3.570 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)c1C ZINC000029192095 862221979 /nfs/dbraw/zinc/22/19/79/862221979.db2.gz OWKFJUNEXAYELN-UHFFFAOYSA-N 1 2 393.531 3.502 20 30 GHEDLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)Nc2cccc(CC#N)c2)c2ccc(Cl)cc2)C1 ZINC000515784473 851473931 /nfs/dbraw/zinc/47/39/31/851473931.db2.gz CNKMLDOQVZZBFT-WOJBJXKFSA-N 1 2 398.894 3.599 20 30 GHEDLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)Nc2cccc(CC#N)c2)c2ccc(Cl)cc2)C1 ZINC000515784473 851473936 /nfs/dbraw/zinc/47/39/36/851473936.db2.gz CNKMLDOQVZZBFT-WOJBJXKFSA-N 1 2 398.894 3.599 20 30 GHEDLO CCC[N@H+](CC)Cc1ccc(C(=O)[C@@H](C#N)c2nc3c(nccc3C)[nH]2)cc1 ZINC000516329211 852426999 /nfs/dbraw/zinc/42/69/99/852426999.db2.gz PSGUQJDKWLKBOU-GOSISDBHSA-N 1 2 375.476 3.988 20 30 GHEDLO CCC[N@@H+](CC)Cc1ccc(C(=O)[C@@H](C#N)c2nc3c(nccc3C)[nH]2)cc1 ZINC000516329211 852427001 /nfs/dbraw/zinc/42/70/01/852427001.db2.gz PSGUQJDKWLKBOU-GOSISDBHSA-N 1 2 375.476 3.988 20 30 GHEDLO CCC[N@H+](CC)Cc1ccc(C(O)=C(C#N)c2nc3[nH]ccc(C)c-3n2)cc1 ZINC000516329211 852427004 /nfs/dbraw/zinc/42/70/04/852427004.db2.gz PSGUQJDKWLKBOU-GOSISDBHSA-N 1 2 375.476 3.988 20 30 GHEDLO CCC[N@@H+](CC)Cc1ccc(C(O)=C(C#N)c2nc3[nH]ccc(C)c-3n2)cc1 ZINC000516329211 852427006 /nfs/dbraw/zinc/42/70/06/852427006.db2.gz PSGUQJDKWLKBOU-GOSISDBHSA-N 1 2 375.476 3.988 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)c1 ZINC000516361937 852462931 /nfs/dbraw/zinc/46/29/31/852462931.db2.gz JSDWIYUEALYQLX-UHFFFAOYSA-N 1 2 389.499 3.803 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)c1 ZINC000516361937 852462939 /nfs/dbraw/zinc/46/29/39/852462939.db2.gz JSDWIYUEALYQLX-UHFFFAOYSA-N 1 2 389.499 3.803 20 30 GHEDLO CC1(C)CN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)[C@H]1[C@H]1CCCO1 ZINC000329863114 862381021 /nfs/dbraw/zinc/38/10/21/862381021.db2.gz YXKRZLMVVCAYKD-CVEARBPZSA-N 1 2 378.542 3.564 20 30 GHEDLO CC1(C)CN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)[C@H]1[C@@H]1CCCO1 ZINC000329863115 862381944 /nfs/dbraw/zinc/38/19/44/862381944.db2.gz YXKRZLMVVCAYKD-HOTGVXAUSA-N 1 2 378.542 3.564 20 30 GHEDLO CCc1ccc([C@@H](C)NC(=O)[C@H](C)[NH+]2CCN(c3ccccc3C#N)CC2)cc1 ZINC000507298456 852760622 /nfs/dbraw/zinc/76/06/22/852760622.db2.gz TYKDQHUIZYKQBW-MOPGFXCFSA-N 1 2 390.531 3.509 20 30 GHEDLO COCc1cccc2sc(=NC(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)[nH]c21 ZINC000329888730 862400355 /nfs/dbraw/zinc/40/03/55/862400355.db2.gz ZIYCAHMDRJPWFX-DZGCQCFKSA-N 1 2 385.493 3.768 20 30 GHEDLO COc1ccccc1C[NH+]1CCN(C(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000426160833 852889321 /nfs/dbraw/zinc/88/93/21/852889321.db2.gz LCZLFIIUKTZNKZ-UHFFFAOYSA-N 1 2 384.867 3.570 20 30 GHEDLO COc1cccc(NC(=O)N2CCC3(C[C@@H]3[N@H+](C)Cc3nccs3)CC2)c1 ZINC000329936900 862438427 /nfs/dbraw/zinc/43/84/27/862438427.db2.gz LGALXMSVAWXJHF-KRWDZBQOSA-N 1 2 386.521 3.684 20 30 GHEDLO COc1cccc(NC(=O)N2CCC3(C[C@@H]3[N@@H+](C)Cc3nccs3)CC2)c1 ZINC000329936900 862438437 /nfs/dbraw/zinc/43/84/37/862438437.db2.gz LGALXMSVAWXJHF-KRWDZBQOSA-N 1 2 386.521 3.684 20 30 GHEDLO C[C@@](O)(C1CC[NH+](Cc2cc(C#N)ccc2Br)CC1)C(F)(F)F ZINC000519621985 853328144 /nfs/dbraw/zinc/32/81/44/853328144.db2.gz UBVKTKYWJIEUQR-OAHLLOKOSA-N 1 2 391.231 3.846 20 30 GHEDLO O=C(NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)N[C@H]1CCOC2(CCCC2)C1 ZINC000329994995 862489913 /nfs/dbraw/zinc/48/99/13/862489913.db2.gz ZTSWQIGKVJCDBZ-ULQDDVLXSA-N 1 2 395.544 3.656 20 30 GHEDLO O=C(NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)N[C@H]1CCOC2(CCCC2)C1 ZINC000329994995 862489916 /nfs/dbraw/zinc/48/99/16/862489916.db2.gz ZTSWQIGKVJCDBZ-ULQDDVLXSA-N 1 2 395.544 3.656 20 30 GHEDLO COCCOc1ccccc1N1CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000439445062 853663387 /nfs/dbraw/zinc/66/33/87/853663387.db2.gz XRIVRLLRBPCEOI-UHFFFAOYSA-N 1 2 385.895 3.559 20 30 GHEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H](C(=O)c4ccc(F)cc4)C3)o2)c1 ZINC000441404899 854201996 /nfs/dbraw/zinc/20/19/96/854201996.db2.gz UNFSNKBARMQQSH-SFHVURJKSA-N 1 2 390.418 3.842 20 30 GHEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@H](C(=O)c4ccc(F)cc4)C3)o2)c1 ZINC000441404899 854201999 /nfs/dbraw/zinc/20/19/99/854201999.db2.gz UNFSNKBARMQQSH-SFHVURJKSA-N 1 2 390.418 3.842 20 30 GHEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)C[C@@]2(CCOC2)O1 ZINC000330071284 862552898 /nfs/dbraw/zinc/55/28/98/862552898.db2.gz ISQYFPIMRLWAOO-ODOSVJCGSA-N 1 2 386.536 3.853 20 30 GHEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)C[C@@]2(CCOC2)O1 ZINC000330071284 862552904 /nfs/dbraw/zinc/55/29/04/862552904.db2.gz ISQYFPIMRLWAOO-ODOSVJCGSA-N 1 2 386.536 3.853 20 30 GHEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000328719599 854503133 /nfs/dbraw/zinc/50/31/33/854503133.db2.gz VSQUKDJKCJUASB-NDFPQJHWSA-N 1 2 380.536 3.966 20 30 GHEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000328719599 854503138 /nfs/dbraw/zinc/50/31/38/854503138.db2.gz VSQUKDJKCJUASB-NDFPQJHWSA-N 1 2 380.536 3.966 20 30 GHEDLO O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000328768605 854534552 /nfs/dbraw/zinc/53/45/52/854534552.db2.gz ICOSPSJHGBZMOC-MKXGPGLRSA-N 1 2 388.512 3.772 20 30 GHEDLO O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000328768605 854534561 /nfs/dbraw/zinc/53/45/61/854534561.db2.gz ICOSPSJHGBZMOC-MKXGPGLRSA-N 1 2 388.512 3.772 20 30 GHEDLO CC(C)C(=O)N1CCC[C@H]1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000328814219 854546525 /nfs/dbraw/zinc/54/65/25/854546525.db2.gz NSKSOIVMQCQQFS-IBGZPJMESA-N 1 2 378.476 3.837 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)NCC2(CCO)CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000328826949 854552722 /nfs/dbraw/zinc/55/27/22/854552722.db2.gz JLZWTVZPGCLAJN-ZWKOTPCHSA-N 1 2 397.922 3.671 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)NCC2(CCO)CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000328826949 854552729 /nfs/dbraw/zinc/55/27/29/854552729.db2.gz JLZWTVZPGCLAJN-ZWKOTPCHSA-N 1 2 397.922 3.671 20 30 GHEDLO C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330131279 862601074 /nfs/dbraw/zinc/60/10/74/862601074.db2.gz POOJVOUHIIUBEL-GLJUWKHASA-N 1 2 386.414 3.952 20 30 GHEDLO C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000330131279 862601077 /nfs/dbraw/zinc/60/10/77/862601077.db2.gz POOJVOUHIIUBEL-GLJUWKHASA-N 1 2 386.414 3.952 20 30 GHEDLO COc1cc(C[NH2+][C@@H](C)c2nnn(-c3cccc(Cl)c3)c2C)ccc1C#N ZINC000589344508 854800660 /nfs/dbraw/zinc/80/06/60/854800660.db2.gz UXJBKNDSWUSDOX-ZDUSSCGKSA-N 1 2 381.867 3.960 20 30 GHEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)N[C@H](CC(C)(C)C)C(F)(F)F)CCO1 ZINC000331198319 854824280 /nfs/dbraw/zinc/82/42/80/854824280.db2.gz OMYSEFHPVHJHGN-KWCYVHTRSA-N 1 2 376.423 3.511 20 30 GHEDLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N[C@H]1CCOC2(CCCCC2)C1 ZINC000330206090 862661771 /nfs/dbraw/zinc/66/17/71/862661771.db2.gz CZERZGHFLAWGJL-FQEVSTJZSA-N 1 2 382.508 3.817 20 30 GHEDLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)c(OC)c1 ZINC000042329504 862676263 /nfs/dbraw/zinc/67/62/63/862676263.db2.gz MDOMQFGOFXSASJ-GOSISDBHSA-N 1 2 395.503 3.779 20 30 GHEDLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)c(OC)c1 ZINC000042329504 862676268 /nfs/dbraw/zinc/67/62/68/862676268.db2.gz MDOMQFGOFXSASJ-GOSISDBHSA-N 1 2 395.503 3.779 20 30 GHEDLO N#C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(Br)cc1 ZINC000499409008 855773177 /nfs/dbraw/zinc/77/31/77/855773177.db2.gz SALJBGMODPGQOK-KRWDZBQOSA-N 1 2 381.233 3.629 20 30 GHEDLO Cc1ccc(-c2noc([C@H](C)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)n2)cc1 ZINC000026597650 855993844 /nfs/dbraw/zinc/99/38/44/855993844.db2.gz DBYILIRUGCMOBU-SFHVURJKSA-N 1 2 387.487 3.796 20 30 GHEDLO N#Cc1ccc(CN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C2CC2)cc1 ZINC000171308449 856083337 /nfs/dbraw/zinc/08/33/37/856083337.db2.gz CGDJPCKAHUTOSC-UHFFFAOYSA-N 1 2 385.471 3.677 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)N2CCC(CC#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000542851429 856137860 /nfs/dbraw/zinc/13/78/60/856137860.db2.gz SNZFPAJFIDIPQV-ZWKOTPCHSA-N 1 2 378.879 3.560 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)N2CCC(CC#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000542851429 856137862 /nfs/dbraw/zinc/13/78/62/856137862.db2.gz SNZFPAJFIDIPQV-ZWKOTPCHSA-N 1 2 378.879 3.560 20 30 GHEDLO CN(CCC#N)C[C@@H](O)C[NH2+][C@@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC000591744904 856237963 /nfs/dbraw/zinc/23/79/63/856237963.db2.gz LODKZFUPMNEBMA-YWZLYKJASA-N 1 2 393.865 3.504 20 30 GHEDLO C[N@H+](CCC#N)C[C@@H](O)CN[C@@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC000591744904 856237973 /nfs/dbraw/zinc/23/79/73/856237973.db2.gz LODKZFUPMNEBMA-YWZLYKJASA-N 1 2 393.865 3.504 20 30 GHEDLO C[N@@H+](CCC#N)C[C@@H](O)CN[C@@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC000591744904 856237979 /nfs/dbraw/zinc/23/79/79/856237979.db2.gz LODKZFUPMNEBMA-YWZLYKJASA-N 1 2 393.865 3.504 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000281016119 862804172 /nfs/dbraw/zinc/80/41/72/862804172.db2.gz OAYZNOKWVQWSKA-SFHVURJKSA-N 1 2 383.517 3.589 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000281016119 862804179 /nfs/dbraw/zinc/80/41/79/862804179.db2.gz OAYZNOKWVQWSKA-SFHVURJKSA-N 1 2 383.517 3.589 20 30 GHEDLO N#Cc1ccc(CCC(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)cc1 ZINC000110981674 856727755 /nfs/dbraw/zinc/72/77/55/856727755.db2.gz IFMYRPLRTJBJIX-SFHVURJKSA-N 1 2 383.442 3.550 20 30 GHEDLO N#Cc1ccc(CCC(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)cc1 ZINC000110981674 856727758 /nfs/dbraw/zinc/72/77/58/856727758.db2.gz IFMYRPLRTJBJIX-SFHVURJKSA-N 1 2 383.442 3.550 20 30 GHEDLO CC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542938394 856974177 /nfs/dbraw/zinc/97/41/77/856974177.db2.gz OIFKNQPKQABTFG-IEBWSBKVSA-N 1 2 388.393 3.933 20 30 GHEDLO CC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542938394 856974186 /nfs/dbraw/zinc/97/41/86/856974186.db2.gz OIFKNQPKQABTFG-IEBWSBKVSA-N 1 2 388.393 3.933 20 30 GHEDLO Cc1cccc(C#N)c1S(=O)(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC001212367869 857228726 /nfs/dbraw/zinc/22/87/26/857228726.db2.gz VGAJNHQKJSQBFC-IPMKNSEASA-N 1 2 397.544 3.539 20 30 GHEDLO Cc1cccc(C#N)c1S(=O)(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC001212367869 857228733 /nfs/dbraw/zinc/22/87/33/857228733.db2.gz VGAJNHQKJSQBFC-IPMKNSEASA-N 1 2 397.544 3.539 20 30 GHEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)CCO1 ZINC000330328623 862911270 /nfs/dbraw/zinc/91/12/70/862911270.db2.gz LWBFSQQPCASYSL-NZSAHSFTSA-N 1 2 388.899 3.949 20 30 GHEDLO CSc1ccc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 ZINC000027104208 857443459 /nfs/dbraw/zinc/44/34/59/857443459.db2.gz UFAOPSDMBGNPCZ-UHFFFAOYSA-N 1 2 380.473 3.850 20 30 GHEDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCC(F)(F)CC1 ZINC000594273489 858018485 /nfs/dbraw/zinc/01/84/85/858018485.db2.gz QJADVDQATLEKKT-MRXNPFEDSA-N 1 2 390.478 3.599 20 30 GHEDLO Cc1oc(NC(=O)C[NH+]2CCC(CCC(=O)OC(C)(C)C)CC2)c(C#N)c1C ZINC000595716523 858656756 /nfs/dbraw/zinc/65/67/56/858656756.db2.gz HPRWTPJVRJOJMQ-UHFFFAOYSA-N 1 2 389.496 3.541 20 30 GHEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000595747504 858673042 /nfs/dbraw/zinc/67/30/42/858673042.db2.gz KMPRZGFMKJLQAP-AZUAARDMSA-N 1 2 385.305 3.919 20 30 GHEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000595747504 858673046 /nfs/dbraw/zinc/67/30/46/858673046.db2.gz KMPRZGFMKJLQAP-AZUAARDMSA-N 1 2 385.305 3.919 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH+]2CCC(c3ccon3)CC2)c1C#N ZINC000595828355 858700345 /nfs/dbraw/zinc/70/03/45/858700345.db2.gz LHWSQHJTTNSJNT-UHFFFAOYSA-N 1 2 395.507 3.898 20 30 GHEDLO FC(F)C(F)(F)CN1CC[NH+](Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000522268121 858923695 /nfs/dbraw/zinc/92/36/95/858923695.db2.gz XHNJHIHDQZGEEG-UHFFFAOYSA-N 1 2 388.327 3.646 20 30 GHEDLO C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000499730543 859370091 /nfs/dbraw/zinc/37/00/91/859370091.db2.gz CAKKIGUMXVHCNL-SEVLPDGMSA-N 1 2 389.499 3.723 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)N2Cc3cccc(C#N)c3C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000593383943 859695061 /nfs/dbraw/zinc/69/50/61/859695061.db2.gz CDESZZVSFFZFTE-WOJBJXKFSA-N 1 2 398.869 3.821 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)N2Cc3cccc(C#N)c3C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000593383943 859695066 /nfs/dbraw/zinc/69/50/66/859695066.db2.gz CDESZZVSFFZFTE-WOJBJXKFSA-N 1 2 398.869 3.821 20 30 GHEDLO CCCCN(C)C(=O)C1CC[NH+](Cc2c(C#N)c(C)nn2-c2ccccc2)CC1 ZINC000611346369 859721480 /nfs/dbraw/zinc/72/14/80/859721480.db2.gz SJDAIYJQDKMKLS-UHFFFAOYSA-N 1 2 393.535 3.523 20 30 GHEDLO C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000508911394 859950026 /nfs/dbraw/zinc/95/00/26/859950026.db2.gz AUWZNYULGQDGIC-NRFANRHFSA-N 1 2 391.519 3.921 20 30 GHEDLO N#Cc1cccc(-c2nnc(C[NH+]3CCC(Oc4ccccc4F)CC3)o2)c1 ZINC000602944789 860377894 /nfs/dbraw/zinc/37/78/94/860377894.db2.gz UGTDYUOBRDKCGL-UHFFFAOYSA-N 1 2 378.407 3.791 20 30 GHEDLO N#Cc1c[nH]c2cc(-c3nc(-c4cccc(C[NH+]5CCOCC5)c4)no3)ccc12 ZINC000904498425 860492385 /nfs/dbraw/zinc/49/23/85/860492385.db2.gz MWQHPEWDKOBUQS-UHFFFAOYSA-N 1 2 385.427 3.589 20 30 GHEDLO Cc1ccc(Cl)cc1C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000329087691 861007106 /nfs/dbraw/zinc/00/71/06/861007106.db2.gz VGENIFCUNJKUEB-VQIMIIECSA-N 1 2 386.883 3.581 20 30 GHEDLO Cc1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)c(O[C@H](C)CC(C)C)c1 ZINC000131255259 863072032 /nfs/dbraw/zinc/07/20/32/863072032.db2.gz DPPAWFIBRIRFJF-VGOFRKELSA-N 1 2 379.504 3.996 20 30 GHEDLO Cc1ccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)c(O[C@@H](C)CC(C)C)c1 ZINC000131254625 863125571 /nfs/dbraw/zinc/12/55/71/863125571.db2.gz DPPAWFIBRIRFJF-JTSKRJEESA-N 1 2 379.504 3.996 20 30 GHEDLO C=CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)Cc1ccccc1 ZINC000027776304 863268076 /nfs/dbraw/zinc/26/80/76/863268076.db2.gz TUGJEWWXXIYJJL-UHFFFAOYSA-N 1 2 381.867 3.547 20 30 GHEDLO C=CC[N@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)Cc1ccccc1 ZINC000027776304 863268084 /nfs/dbraw/zinc/26/80/84/863268084.db2.gz TUGJEWWXXIYJJL-UHFFFAOYSA-N 1 2 381.867 3.547 20 30 GHEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000593965614 863533081 /nfs/dbraw/zinc/53/30/81/863533081.db2.gz VVZSJZXQZULHHF-GUDVDZBRSA-N 1 2 391.515 3.985 20 30 GHEDLO Fc1ccc(C[NH+]2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)cn1 ZINC000897053916 864369656 /nfs/dbraw/zinc/36/96/56/864369656.db2.gz CQQXKVBCEGEMES-IUCAKERBSA-N 1 2 378.238 3.824 20 30 GHEDLO Cn1ncc(C[NH+]2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c1Cl ZINC000897056654 864373550 /nfs/dbraw/zinc/37/35/50/864373550.db2.gz WDXDDVQXSXRQQD-HTQZYQBOSA-N 1 2 397.697 3.676 20 30 GHEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCCCOc3ccccc3)c2)n1 ZINC000072073227 864434206 /nfs/dbraw/zinc/43/42/06/864434206.db2.gz BHMUNQAPJOPWOY-UHFFFAOYSA-N 1 2 378.476 3.654 20 30 GHEDLO Cn1cc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c(C(C)(C)C)n1 ZINC000475332152 864796395 /nfs/dbraw/zinc/79/63/95/864796395.db2.gz GJGHFYPZXCJMQZ-IBGZPJMESA-N 1 2 385.943 3.753 20 30 GHEDLO CCCCc1noc(CO[NH+]=C(N)c2ccc(COc3ccccc3F)cc2)n1 ZINC000736299963 865180694 /nfs/dbraw/zinc/18/06/94/865180694.db2.gz YBVNXMCJRDPFBO-UHFFFAOYSA-N 1 2 398.438 3.967 20 30 GHEDLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H](C#N)c3ccccc3Cl)cn2c1 ZINC000172142588 865501977 /nfs/dbraw/zinc/50/19/77/865501977.db2.gz GZYNULLZSFEGEB-KRWDZBQOSA-N 1 2 384.892 3.910 20 30 GHEDLO FC(F)C(F)(F)COc1cc(NCc2cnn(CC(F)(F)F)c2)cc[nH+]1 ZINC000555157483 865622813 /nfs/dbraw/zinc/62/28/13/865622813.db2.gz BJWGTLYSCOTVSC-UHFFFAOYSA-N 1 2 386.271 3.732 20 30 GHEDLO O=C([C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCCSC1=Nc1ccccc1 ZINC000741171933 866294266 /nfs/dbraw/zinc/29/42/66/866294266.db2.gz CCWYWLRWDBCCER-HXUWFJFHSA-N 1 2 395.528 3.541 20 30 GHEDLO O=C([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCCSC1=Nc1ccccc1 ZINC000741171933 866294279 /nfs/dbraw/zinc/29/42/79/866294279.db2.gz CCWYWLRWDBCCER-HXUWFJFHSA-N 1 2 395.528 3.541 20 30 GHEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000186608446 866342239 /nfs/dbraw/zinc/34/22/39/866342239.db2.gz ZZHXLYUIZZFULM-KRWDZBQOSA-N 1 2 377.463 3.634 20 30 GHEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000121205365 881966954 /nfs/dbraw/zinc/96/69/54/881966954.db2.gz MIBQKSSNSHFGEI-CQSZACIVSA-N 1 2 375.394 3.871 20 30 GHEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000121205365 881966966 /nfs/dbraw/zinc/96/69/66/881966966.db2.gz MIBQKSSNSHFGEI-CQSZACIVSA-N 1 2 375.394 3.871 20 30 GHEDLO CCS(=O)(=O)Nc1ccc(C(=O)/C=C/c2c[nH+]c3ccc(Cl)cn23)cc1 ZINC000737444335 866764834 /nfs/dbraw/zinc/76/48/34/866764834.db2.gz PFHQUDSKIQVNFK-CMDGGOBGSA-N 1 2 389.864 3.645 20 30 GHEDLO Cc1oc(NC(=O)C[N@@H+](C)Cc2ccc(Br)cc2C)c(C#N)c1C ZINC000444702605 867088761 /nfs/dbraw/zinc/08/87/61/867088761.db2.gz YFWFIBUTMHGEMX-UHFFFAOYSA-N 1 2 390.281 3.910 20 30 GHEDLO Cc1oc(NC(=O)C[N@H+](C)Cc2ccc(Br)cc2C)c(C#N)c1C ZINC000444702605 867088772 /nfs/dbraw/zinc/08/87/72/867088772.db2.gz YFWFIBUTMHGEMX-UHFFFAOYSA-N 1 2 390.281 3.910 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C[C@@H](c2ccccc2)O1 ZINC000920418211 882094111 /nfs/dbraw/zinc/09/41/11/882094111.db2.gz YZEQWMFGGHPZIR-PERKRYKHSA-N 1 2 398.466 3.686 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C[C@@H](c2ccccc2)O1 ZINC000920418211 882094122 /nfs/dbraw/zinc/09/41/22/882094122.db2.gz YZEQWMFGGHPZIR-PERKRYKHSA-N 1 2 398.466 3.686 20 30 GHEDLO C#CCOc1cc(F)ccc1NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000743150214 867878897 /nfs/dbraw/zinc/87/88/97/867878897.db2.gz OVZQTKFTLQDLQP-INIZCTEOSA-N 1 2 397.450 3.875 20 30 GHEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)cc1Cl ZINC000026117399 868289320 /nfs/dbraw/zinc/28/93/20/868289320.db2.gz MLNLSLQNXKTICM-NRFANRHFSA-N 1 2 383.879 3.596 20 30 GHEDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000479651768 868304504 /nfs/dbraw/zinc/30/45/04/868304504.db2.gz JYUCNIJEVSNCBK-UHFFFAOYSA-N 1 2 395.528 3.550 20 30 GHEDLO CC1(C)COCC[N@H+]1CCNC(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000479651768 868304521 /nfs/dbraw/zinc/30/45/21/868304521.db2.gz JYUCNIJEVSNCBK-UHFFFAOYSA-N 1 2 395.528 3.550 20 30 GHEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1 ZINC000535175186 868321572 /nfs/dbraw/zinc/32/15/72/868321572.db2.gz ULSHLIMASKPNLF-LJQANCHMSA-N 1 2 386.455 3.908 20 30 GHEDLO Cn1cc(CNc2[nH+]c3ccccc3n2Cc2ccc(Cl)cc2)cc1C#N ZINC000479784473 868521484 /nfs/dbraw/zinc/52/14/84/868521484.db2.gz XKIWSZRQAWMRKF-UHFFFAOYSA-N 1 2 375.863 3.982 20 30 GHEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H](c3ccccc3)OC[C@@H]2C)c(OC)c1 ZINC000524177901 868659956 /nfs/dbraw/zinc/65/99/56/868659956.db2.gz QKOXDVLQYRTFMM-VNZMSGEBSA-N 1 2 397.515 3.625 20 30 GHEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2C[C@@H](c3ccccc3)OC[C@@H]2C)c(OC)c1 ZINC000524177901 868659963 /nfs/dbraw/zinc/65/99/63/868659963.db2.gz QKOXDVLQYRTFMM-VNZMSGEBSA-N 1 2 397.515 3.625 20 30 GHEDLO Cc1cc(C2CC[NH+](CC(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)n[nH]1 ZINC000543910238 868943936 /nfs/dbraw/zinc/94/39/36/868943936.db2.gz SJAXMMACGNMJOG-OAHLLOKOSA-N 1 2 397.548 3.788 20 30 GHEDLO Cc1cc(C2CC[NH+](CC(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)[nH]n1 ZINC000543910238 868943948 /nfs/dbraw/zinc/94/39/48/868943948.db2.gz SJAXMMACGNMJOG-OAHLLOKOSA-N 1 2 397.548 3.788 20 30 GHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@@H](O)C(C)(C)C2)c1C#N ZINC000446063015 869330274 /nfs/dbraw/zinc/33/02/74/869330274.db2.gz TWFGWYCOIWKXRX-LJQANCHMSA-N 1 2 386.540 3.513 20 30 GHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CC[C@@H](O)C(C)(C)C2)c1C#N ZINC000446063015 869330283 /nfs/dbraw/zinc/33/02/83/869330283.db2.gz TWFGWYCOIWKXRX-LJQANCHMSA-N 1 2 386.540 3.513 20 30 GHEDLO CCS(=O)(=O)C1CC[NH+](Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000446850068 870534595 /nfs/dbraw/zinc/53/45/95/870534595.db2.gz VEOAKXSYNQHEJW-UHFFFAOYSA-N 1 2 398.528 3.536 20 30 GHEDLO Cc1cccc2c(CCC(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)c[nH]c21 ZINC000525525869 870866353 /nfs/dbraw/zinc/86/63/53/870866353.db2.gz HCSWKEZRGJLRQV-UHFFFAOYSA-N 1 2 386.499 3.625 20 30 GHEDLO COC(=O)[C@@H]1C[C@H](Nc2nc(-c3ccccc3)c(-c3ccccc3)cc2C#N)C[NH2+]1 ZINC001156249808 871130694 /nfs/dbraw/zinc/13/06/94/871130694.db2.gz UJERCLBGXCMUFB-FPOVZHCZSA-N 1 2 398.466 3.603 20 30 GHEDLO CCCCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC001193589940 871176436 /nfs/dbraw/zinc/17/64/36/871176436.db2.gz XCVLERGGLGQNNH-UHFFFAOYSA-N 1 2 394.294 3.711 20 30 GHEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC001194468386 871708611 /nfs/dbraw/zinc/70/86/11/871708611.db2.gz YKRRGYLECUTBLW-IDHHARJASA-N 1 2 392.341 3.681 20 30 GHEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC001194468386 871708623 /nfs/dbraw/zinc/70/86/23/871708623.db2.gz YKRRGYLECUTBLW-IDHHARJASA-N 1 2 392.341 3.681 20 30 GHEDLO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000618752757 871951796 /nfs/dbraw/zinc/95/17/96/871951796.db2.gz XRSSDUNAARCDAN-JOCHJYFZSA-N 1 2 399.970 3.867 20 30 GHEDLO C=CC[N@H+](CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccco1)[C@H](C)COC ZINC001196048412 872856836 /nfs/dbraw/zinc/85/68/36/872856836.db2.gz UODDHNBRBUNUMU-NQIIRXRSSA-N 1 2 395.503 3.789 20 30 GHEDLO C=CC[N@@H+](CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccco1)[C@H](C)COC ZINC001196048412 872856841 /nfs/dbraw/zinc/85/68/41/872856841.db2.gz UODDHNBRBUNUMU-NQIIRXRSSA-N 1 2 395.503 3.789 20 30 GHEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000478375571 872917384 /nfs/dbraw/zinc/91/73/84/872917384.db2.gz VYVWYLHJYBBCBF-INIZCTEOSA-N 1 2 378.501 3.910 20 30 GHEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000478375572 872917608 /nfs/dbraw/zinc/91/76/08/872917608.db2.gz VYVWYLHJYBBCBF-MRXNPFEDSA-N 1 2 378.501 3.910 20 30 GHEDLO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC001197030546 873553603 /nfs/dbraw/zinc/55/36/03/873553603.db2.gz BRAQLEGHTBAXTR-MRXNPFEDSA-N 1 2 382.895 3.669 20 30 GHEDLO CC(C)(C)OC(=O)N1CCN(c2ccc(NCC(C)(C)CCC#N)[nH+]c2)CC1 ZINC000769404461 874025851 /nfs/dbraw/zinc/02/58/51/874025851.db2.gz WIDJBBFJZHXIAM-UHFFFAOYSA-N 1 2 387.528 3.881 20 30 GHEDLO Cc1nc(NCc2cccc(C(=O)N[C@H](CCC#N)c3ccccc3)c2)cc[nH+]1 ZINC000541723535 874167895 /nfs/dbraw/zinc/16/78/95/874167895.db2.gz AAGZKWYDNSZJPC-OAQYLSRUSA-N 1 2 385.471 3.594 20 30 GHEDLO C#C[C@H](C)[N@H+](C)CC(=O)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1 ZINC000769962979 874368313 /nfs/dbraw/zinc/36/83/13/874368313.db2.gz NMPNNMUSKVSNPA-YJBOKZPZSA-N 1 2 375.428 3.657 20 30 GHEDLO C#C[C@H](C)[N@@H+](C)CC(=O)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1 ZINC000769962979 874368328 /nfs/dbraw/zinc/36/83/28/874368328.db2.gz NMPNNMUSKVSNPA-YJBOKZPZSA-N 1 2 375.428 3.657 20 30 GHEDLO C=CCOc1ccccc1CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542115775 874954765 /nfs/dbraw/zinc/95/47/65/874954765.db2.gz MQRGMMNUIXWLJX-UHFFFAOYSA-N 1 2 382.508 3.850 20 30 GHEDLO N#CCc1ccc(C[N@@H+](CC(N)=O)Cc2ccc(OCc3ccccc3)cc2)cc1 ZINC000542212165 875158403 /nfs/dbraw/zinc/15/84/03/875158403.db2.gz JAXYVUNHOSBRMU-UHFFFAOYSA-N 1 2 399.494 3.819 20 30 GHEDLO N#CCc1ccc(C[N@H+](CC(N)=O)Cc2ccc(OCc3ccccc3)cc2)cc1 ZINC000542212165 875158420 /nfs/dbraw/zinc/15/84/20/875158420.db2.gz JAXYVUNHOSBRMU-UHFFFAOYSA-N 1 2 399.494 3.819 20 30 GHEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000065473207 875314079 /nfs/dbraw/zinc/31/40/79/875314079.db2.gz BPZFFHAYOLXHSN-UHFFFAOYSA-N 1 2 389.459 3.912 20 30 GHEDLO C[N@H+](CC(=O)Nc1c(F)cc(F)cc1Br)Cc1cccc(C#N)c1 ZINC000026328758 875386978 /nfs/dbraw/zinc/38/69/78/875386978.db2.gz UCFZSYHFZCRUOJ-UHFFFAOYSA-N 1 2 394.219 3.669 20 30 GHEDLO C[N@@H+](CC(=O)Nc1c(F)cc(F)cc1Br)Cc1cccc(C#N)c1 ZINC000026328758 875386987 /nfs/dbraw/zinc/38/69/87/875386987.db2.gz UCFZSYHFZCRUOJ-UHFFFAOYSA-N 1 2 394.219 3.669 20 30 GHEDLO C=CCOc1ccc(/C=C/C(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1OC ZINC000746539657 875959584 /nfs/dbraw/zinc/95/95/84/875959584.db2.gz MCGFOCPRYUVNNX-CSKARUKUSA-N 1 2 391.471 3.588 20 30 GHEDLO C=CCn1c(-c2ccccc2OC)nn(C[N@H+](C)C[C@@H]2CCCOC2)c1=S ZINC000107670620 876382493 /nfs/dbraw/zinc/38/24/93/876382493.db2.gz NQLASYRJWCZCKX-INIZCTEOSA-N 1 2 388.537 3.592 20 30 GHEDLO C=CCn1c(-c2ccccc2OC)nn(C[N@@H+](C)C[C@@H]2CCCOC2)c1=S ZINC000107670620 876382501 /nfs/dbraw/zinc/38/25/01/876382501.db2.gz NQLASYRJWCZCKX-INIZCTEOSA-N 1 2 388.537 3.592 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+](C)C[C@@H]2CCCOC2)c1=S ZINC000107671038 876382678 /nfs/dbraw/zinc/38/26/78/876382678.db2.gz ZGNOYGGLYGVQKN-HNNXBMFYSA-N 1 2 376.501 3.722 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+](C)C[C@@H]2CCCOC2)c1=S ZINC000107671038 876382685 /nfs/dbraw/zinc/38/26/85/876382685.db2.gz ZGNOYGGLYGVQKN-HNNXBMFYSA-N 1 2 376.501 3.722 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)CO[NH+]=C(N)Cc1ccccc1 ZINC000108351705 876457918 /nfs/dbraw/zinc/45/79/18/876457918.db2.gz LQTXVVMKVDDNGJ-HNNXBMFYSA-N 1 2 382.489 3.551 20 30 GHEDLO Nc1nc(Cl)c(C=[NH+]Nc2ccc(C(F)(F)F)cc2)c(N2CCCC2)n1 ZINC000746578489 876622516 /nfs/dbraw/zinc/62/25/16/876622516.db2.gz NRCSJICIYFWVTF-UHFFFAOYSA-N 1 2 384.793 3.777 20 30 GHEDLO COc1cc([N+](=O)[O-])ccc1N[NH+]=Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000746679507 877369351 /nfs/dbraw/zinc/36/93/51/877369351.db2.gz IWAHARQGGFPJSI-UHFFFAOYSA-N 1 2 399.407 3.948 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)Cc1ccc(OC)cc1OC ZINC000477442608 877628507 /nfs/dbraw/zinc/62/85/07/877628507.db2.gz ZQAYMWIRCCSQFR-INIZCTEOSA-N 1 2 388.533 3.800 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)Cc1ccc(OC)cc1OC ZINC000477442608 877628514 /nfs/dbraw/zinc/62/85/14/877628514.db2.gz ZQAYMWIRCCSQFR-INIZCTEOSA-N 1 2 388.533 3.800 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c1 ZINC000451290549 877729784 /nfs/dbraw/zinc/72/97/84/877729784.db2.gz ZIKBNTCJVQMSHZ-PKOBYXMFSA-N 1 2 389.268 3.621 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c1 ZINC000451290549 877729794 /nfs/dbraw/zinc/72/97/94/877729794.db2.gz ZIKBNTCJVQMSHZ-PKOBYXMFSA-N 1 2 389.268 3.621 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](C[C@H](O)c3ccccc3C(F)(F)F)CC2)c(F)c1 ZINC000110306782 877986765 /nfs/dbraw/zinc/98/67/65/877986765.db2.gz LVYKGIUPEYNVPX-IBGZPJMESA-N 1 2 393.384 3.572 20 30 GHEDLO COc1ccc(CC(N)=[NH+]OCc2nc(-c3cccs3)oc2C)cc1OC ZINC000068322131 878335957 /nfs/dbraw/zinc/33/59/57/878335957.db2.gz LZRHVKBYVYCZSM-UHFFFAOYSA-N 1 2 387.461 3.760 20 30 GHEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(Cc2c(F)cccc2F)CC1 ZINC000451962209 878738218 /nfs/dbraw/zinc/73/82/18/878738218.db2.gz VPXIWRPNGOBJOO-UHFFFAOYSA-N 1 2 375.444 3.791 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000285681714 912389865 /nfs/dbraw/zinc/38/98/65/912389865.db2.gz UUYYHFDQHWUZML-QGZVFWFLSA-N 1 2 388.455 3.683 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000285681714 912389877 /nfs/dbraw/zinc/38/98/77/912389877.db2.gz UUYYHFDQHWUZML-QGZVFWFLSA-N 1 2 388.455 3.683 20 30 GHEDLO C=CC[C@H]1CCC[N@@H+](Cn2nc([C@H]3COc4ccccc4O3)n(C)c2=S)C1 ZINC000853536261 879097217 /nfs/dbraw/zinc/09/72/17/879097217.db2.gz QXSGQLCVEXQFTO-MAUKXSAKSA-N 1 2 386.521 3.709 20 30 GHEDLO C=CC[C@H]1CCC[N@H+](Cn2nc([C@H]3COc4ccccc4O3)n(C)c2=S)C1 ZINC000853536261 879097230 /nfs/dbraw/zinc/09/72/30/879097230.db2.gz QXSGQLCVEXQFTO-MAUKXSAKSA-N 1 2 386.521 3.709 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+](C)C[C@H]2CCc3ccccc32)c1=S ZINC000853609687 879163215 /nfs/dbraw/zinc/16/32/15/879163215.db2.gz KPPNODSCANBNAC-QGZVFWFLSA-N 1 2 392.532 3.676 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+](C)C[C@H]2CCc3ccccc32)c1=S ZINC000853609687 879163232 /nfs/dbraw/zinc/16/32/32/879163232.db2.gz KPPNODSCANBNAC-QGZVFWFLSA-N 1 2 392.532 3.676 20 30 GHEDLO COCC[N@H+](CC(=O)N[C@H](c1ccc(C)cc1)C1CC1)Cc1ccc(C#N)cc1 ZINC000069072053 879485840 /nfs/dbraw/zinc/48/58/40/879485840.db2.gz CSEJKZNNXAZJRG-XMMPIXPASA-N 1 2 391.515 3.583 20 30 GHEDLO COCC[N@@H+](CC(=O)N[C@H](c1ccc(C)cc1)C1CC1)Cc1ccc(C#N)cc1 ZINC000069072053 879485849 /nfs/dbraw/zinc/48/58/49/879485849.db2.gz CSEJKZNNXAZJRG-XMMPIXPASA-N 1 2 391.515 3.583 20 30 GHEDLO C=CCn1c(-c2ccco2)nn(C[N@@H+](CCOC)[C@H]2CC[C@H](C)C2)c1=S ZINC000790480610 879754508 /nfs/dbraw/zinc/75/45/08/879754508.db2.gz STWCLDRTTFOCBO-HOTGVXAUSA-N 1 2 376.526 3.955 20 30 GHEDLO C=CCn1c(-c2ccco2)nn(C[N@H+](CCOC)[C@H]2CC[C@H](C)C2)c1=S ZINC000790480610 879754516 /nfs/dbraw/zinc/75/45/16/879754516.db2.gz STWCLDRTTFOCBO-HOTGVXAUSA-N 1 2 376.526 3.955 20 30 GHEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000452651764 879809355 /nfs/dbraw/zinc/80/93/55/879809355.db2.gz ALWVLEQTYHRKDL-CRAIPNDOSA-N 1 2 378.476 3.842 20 30 GHEDLO COCC[N@H+](CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1)Cc1ccc(C#N)cc1 ZINC000531645991 880250384 /nfs/dbraw/zinc/25/03/84/880250384.db2.gz NQXYTCFFXGKLAN-QGZVFWFLSA-N 1 2 399.922 3.880 20 30 GHEDLO COCC[N@@H+](CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1)Cc1ccc(C#N)cc1 ZINC000531645991 880250392 /nfs/dbraw/zinc/25/03/92/880250392.db2.gz NQXYTCFFXGKLAN-QGZVFWFLSA-N 1 2 399.922 3.880 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000184467265 880310600 /nfs/dbraw/zinc/31/06/00/880310600.db2.gz VFWANFUCGXJRDP-QGZVFWFLSA-N 1 2 390.549 3.957 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000184467265 880310608 /nfs/dbraw/zinc/31/06/08/880310608.db2.gz VFWANFUCGXJRDP-QGZVFWFLSA-N 1 2 390.549 3.957 20 30 GHEDLO CCn1cc([C@H](O)C[N@H+](Cc2ccccc2)Cc2cc(F)ccc2C#N)cn1 ZINC000792374460 881062485 /nfs/dbraw/zinc/06/24/85/881062485.db2.gz BXUUENUGWMIMBL-JOCHJYFZSA-N 1 2 378.451 3.650 20 30 GHEDLO CCn1cc([C@H](O)C[N@@H+](Cc2ccccc2)Cc2cc(F)ccc2C#N)cn1 ZINC000792374460 881062503 /nfs/dbraw/zinc/06/25/03/881062503.db2.gz BXUUENUGWMIMBL-JOCHJYFZSA-N 1 2 378.451 3.650 20 30 GHEDLO Cc1ccc(C[NH+]2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)c(C)n1 ZINC000187386568 881174536 /nfs/dbraw/zinc/17/45/36/881174536.db2.gz HPCFMUCNNXLSCV-FQEVSTJZSA-N 1 2 399.336 3.843 20 30 GHEDLO N#Cc1ccccc1OC1CCC(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000609557443 883340147 /nfs/dbraw/zinc/34/01/47/883340147.db2.gz KLFZIXNZWBHSPA-LMDPOFIKSA-N 1 2 393.491 3.561 20 30 GHEDLO COc1ccc2c(c1)C[N@H+]([C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)CC2 ZINC000609635455 883490850 /nfs/dbraw/zinc/49/08/50/883490850.db2.gz VKZXZZBITXOWBA-MRXNPFEDSA-N 1 2 381.451 3.528 20 30 GHEDLO COc1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)CC2 ZINC000609635455 883490855 /nfs/dbraw/zinc/49/08/55/883490855.db2.gz VKZXZZBITXOWBA-MRXNPFEDSA-N 1 2 381.451 3.528 20 30 GHEDLO C#C[C@@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccc(Cl)cc1F ZINC000804980526 883526174 /nfs/dbraw/zinc/52/61/74/883526174.db2.gz VKHGBDBLCLKOSI-GOSISDBHSA-N 1 2 382.826 3.839 20 30 GHEDLO CCCCOc1ccc([C@H](C)[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cc1OC ZINC000609676610 883532219 /nfs/dbraw/zinc/53/22/19/883532219.db2.gz UDGNMGBITJDMLC-YCRPNKLZSA-N 1 2 381.476 3.623 20 30 GHEDLO CC(C)(CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccc(F)c1 ZINC000609826335 883701266 /nfs/dbraw/zinc/70/12/66/883701266.db2.gz OGVYHSJGWQPKGX-UHFFFAOYSA-N 1 2 394.494 3.502 20 30 GHEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)c(C#N)c1C ZINC000533929585 883825057 /nfs/dbraw/zinc/82/50/57/883825057.db2.gz GJBQAMJJDCYTLC-INIZCTEOSA-N 1 2 389.908 3.982 20 30 GHEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)c(C#N)c1C ZINC000533929585 883825073 /nfs/dbraw/zinc/82/50/73/883825073.db2.gz GJBQAMJJDCYTLC-INIZCTEOSA-N 1 2 389.908 3.982 20 30 GHEDLO N#Cc1cccc([C@H]2C[N@H+](CCOc3cccc(Br)c3)CCO2)c1 ZINC000761759058 884060312 /nfs/dbraw/zinc/06/03/12/884060312.db2.gz LHJPYPGIHJGSAK-LJQANCHMSA-N 1 2 387.277 3.773 20 30 GHEDLO N#Cc1cccc([C@H]2C[N@@H+](CCOc3cccc(Br)c3)CCO2)c1 ZINC000761759058 884060327 /nfs/dbraw/zinc/06/03/27/884060327.db2.gz LHJPYPGIHJGSAK-LJQANCHMSA-N 1 2 387.277 3.773 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1Cc1ccccn1 ZINC001183832394 912837434 /nfs/dbraw/zinc/83/74/34/912837434.db2.gz UZGUNLYIZVEFQW-DHIUTWEWSA-N 1 2 388.515 3.541 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1Cc1ccccn1 ZINC001183832394 912837445 /nfs/dbraw/zinc/83/74/45/912837445.db2.gz UZGUNLYIZVEFQW-DHIUTWEWSA-N 1 2 388.515 3.541 20 30 GHEDLO C[C@@H](Oc1ccc(C#N)cc1)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000109582585 884581940 /nfs/dbraw/zinc/58/19/40/884581940.db2.gz QYPWDRJLRNAZQB-MRXNPFEDSA-N 1 2 390.443 3.580 20 30 GHEDLO N#Cc1cc2ccccc2nc1NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000747325643 884588051 /nfs/dbraw/zinc/58/80/51/884588051.db2.gz AXIZDZCFZCGQJP-UHFFFAOYSA-N 1 2 385.471 3.621 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)NCc1cncc2ccccc21 ZINC001183840661 912845076 /nfs/dbraw/zinc/84/50/76/912845076.db2.gz TVOBNBDXOSYTMA-QHCPKHFHSA-N 1 2 384.483 3.777 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)NCc1cncc2ccccc21 ZINC001183840661 912845096 /nfs/dbraw/zinc/84/50/96/912845096.db2.gz TVOBNBDXOSYTMA-QHCPKHFHSA-N 1 2 384.483 3.777 20 30 GHEDLO N#CC(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1)c1cnc2ccccc2n1 ZINC000860703502 884929926 /nfs/dbraw/zinc/92/99/26/884929926.db2.gz SIWWJVKLMFDUFN-QHAWAJNXSA-N 1 2 396.494 3.964 20 30 GHEDLO N#CC(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1)c1cnc2ccccc2n1 ZINC000860703502 884929941 /nfs/dbraw/zinc/92/99/41/884929941.db2.gz SIWWJVKLMFDUFN-QHAWAJNXSA-N 1 2 396.494 3.964 20 30 GHEDLO N#Cc1ccccc1N1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000052801116 885438089 /nfs/dbraw/zinc/43/80/89/885438089.db2.gz AGSYWDUZGMJMCV-UHFFFAOYSA-N 1 2 386.858 3.502 20 30 GHEDLO N#Cc1ccccc1N1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000052801116 885438100 /nfs/dbraw/zinc/43/81/00/885438100.db2.gz AGSYWDUZGMJMCV-UHFFFAOYSA-N 1 2 386.858 3.502 20 30 GHEDLO Cc1nc(NC(=O)[C@@H](C)[NH+]2CCC(Oc3cccc(C#N)c3)CC2)sc1C ZINC000104712916 885573645 /nfs/dbraw/zinc/57/36/45/885573645.db2.gz SADFODNFMVXZOE-CQSZACIVSA-N 1 2 384.505 3.502 20 30 GHEDLO COc1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc(OC)c1 ZINC000532489933 885826980 /nfs/dbraw/zinc/82/69/80/885826980.db2.gz ZZSNXNDCMIQSNL-ZDUSSCGKSA-N 1 2 399.516 3.585 20 30 GHEDLO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc(OC)c1 ZINC000532489933 885826990 /nfs/dbraw/zinc/82/69/90/885826990.db2.gz ZZSNXNDCMIQSNL-ZDUSSCGKSA-N 1 2 399.516 3.585 20 30 GHEDLO C[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccc(C#N)cc1 ZINC000536534192 886835303 /nfs/dbraw/zinc/83/53/03/886835303.db2.gz SACVMAYSSVFYBT-QTJFZDIUSA-N 1 2 384.430 3.642 20 30 GHEDLO C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccc(C#N)cc1 ZINC000536534192 886835317 /nfs/dbraw/zinc/83/53/17/886835317.db2.gz SACVMAYSSVFYBT-QTJFZDIUSA-N 1 2 384.430 3.642 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](CN3C[C@H](c4ccccc4)OC3=O)CC2)c(F)c1 ZINC000863267728 886982278 /nfs/dbraw/zinc/98/22/78/886982278.db2.gz UOWQQCIIKPUCTE-OAQYLSRUSA-N 1 2 395.434 3.692 20 30 GHEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+](C)Cc2cccc(C#N)c2)ccc1Cl ZINC000026328612 887545137 /nfs/dbraw/zinc/54/51/37/887545137.db2.gz CYCDWFAVRSLIBC-UHFFFAOYSA-N 1 2 380.879 3.899 20 30 GHEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+](C)Cc2cccc(C#N)c2)ccc1Cl ZINC000026328612 887545150 /nfs/dbraw/zinc/54/51/50/887545150.db2.gz CYCDWFAVRSLIBC-UHFFFAOYSA-N 1 2 380.879 3.899 20 30 GHEDLO C#CC[C@]1(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)CCCN1C(=O)OC(C)(C)C ZINC000809583642 887593986 /nfs/dbraw/zinc/59/39/86/887593986.db2.gz IUZXYPIVFWUMEE-JOCHJYFZSA-N 1 2 394.475 3.604 20 30 GHEDLO CC(C)CCOC1CC[NH+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000194340733 888254324 /nfs/dbraw/zinc/25/43/24/888254324.db2.gz ZBQJEKZLCBLFOF-HNNXBMFYSA-N 1 2 389.565 3.963 20 30 GHEDLO CC(C)CCOC1CC[NH+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000194340749 888254424 /nfs/dbraw/zinc/25/44/24/888254424.db2.gz ZBQJEKZLCBLFOF-OAHLLOKOSA-N 1 2 389.565 3.963 20 30 GHEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)Nc3ccc(-c4ccccc4)cc3)C2)nc1 ZINC000794831647 888279352 /nfs/dbraw/zinc/27/93/52/888279352.db2.gz GFAPKZHOMJFNGY-JOCHJYFZSA-N 1 2 398.466 3.712 20 30 GHEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)Nc3ccc(-c4ccccc4)cc3)C2)nc1 ZINC000794831647 888279369 /nfs/dbraw/zinc/27/93/69/888279369.db2.gz GFAPKZHOMJFNGY-JOCHJYFZSA-N 1 2 398.466 3.712 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3)CC2)cc1 ZINC000454294703 888498842 /nfs/dbraw/zinc/49/88/42/888498842.db2.gz CXYGFRWQFMWBSE-LEWJYISDSA-N 1 2 379.891 3.660 20 30 GHEDLO N#C[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1cccc(Br)c1 ZINC000496263995 888657679 /nfs/dbraw/zinc/65/76/79/888657679.db2.gz QISMCLRTDWMULO-SFHVURJKSA-N 1 2 395.260 3.689 20 30 GHEDLO Cc1ccc2c(C[NH+]3CCN(Cc4ccc(C#N)cc4)CC3)cc(=O)oc2c1C ZINC000916149266 888785563 /nfs/dbraw/zinc/78/55/63/888785563.db2.gz WUMNHBQUIPDWBW-UHFFFAOYSA-N 1 2 387.483 3.599 20 30 GHEDLO CC(=O)c1ccc(N2CC[NH+](Cc3ccc(N(C)CCC#N)cc3)CC2)c(F)c1 ZINC000121720438 889101413 /nfs/dbraw/zinc/10/14/13/889101413.db2.gz WKBYCRLWKADKLG-UHFFFAOYSA-N 1 2 394.494 3.700 20 30 GHEDLO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026327413 890387621 /nfs/dbraw/zinc/38/76/21/890387621.db2.gz JTVOWLRAQGNYES-UHFFFAOYSA-N 1 2 387.487 3.740 20 30 GHEDLO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000026327413 890387633 /nfs/dbraw/zinc/38/76/33/890387633.db2.gz JTVOWLRAQGNYES-UHFFFAOYSA-N 1 2 387.487 3.740 20 30 GHEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000066423948 890947000 /nfs/dbraw/zinc/94/70/00/890947000.db2.gz DVDFKGTXGYMULL-GOSISDBHSA-N 1 2 392.478 3.708 20 30 GHEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000066423948 890947008 /nfs/dbraw/zinc/94/70/08/890947008.db2.gz DVDFKGTXGYMULL-GOSISDBHSA-N 1 2 392.478 3.708 20 30 GHEDLO C#C[C@H](NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cc1 ZINC000812924384 891129159 /nfs/dbraw/zinc/12/91/59/891129159.db2.gz KGDWNFQKMFPSKX-LZJOCLMNSA-N 1 2 395.478 3.931 20 30 GHEDLO [NH3+][C@@H](c1nc(COCC(F)(F)C(F)F)no1)c1cccc(C(F)(F)F)c1 ZINC000872180418 891203941 /nfs/dbraw/zinc/20/39/41/891203941.db2.gz PRWPXNQHOCUKDQ-SNVBAGLBSA-N 1 2 387.255 3.554 20 30 GHEDLO [NH3+][C@H](c1nc(COCC(F)(F)C(F)F)no1)c1ccc(C(F)(F)F)cc1 ZINC000872180598 891204243 /nfs/dbraw/zinc/20/42/43/891204243.db2.gz RXQCPSYZYAEXQY-JTQLQIEISA-N 1 2 387.255 3.554 20 30 GHEDLO N#Cc1ccc(Nc2ccc[nH+]c2N2CCCC2)c(I)c1 ZINC001184969401 913552603 /nfs/dbraw/zinc/55/26/03/913552603.db2.gz ZSSIYYVVZICWLA-UHFFFAOYSA-N 1 2 390.228 3.902 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(F)c(Br)c2)c1 ZINC000917404299 891933496 /nfs/dbraw/zinc/93/34/96/891933496.db2.gz JUMAPLHCLIMVPU-UHFFFAOYSA-N 1 2 375.241 3.640 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(F)c(Br)c2)c1 ZINC000917404299 891933512 /nfs/dbraw/zinc/93/35/12/891933512.db2.gz JUMAPLHCLIMVPU-UHFFFAOYSA-N 1 2 375.241 3.640 20 30 GHEDLO CCc1ccc(C#CC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000814531285 892863998 /nfs/dbraw/zinc/86/39/98/892863998.db2.gz FWVXOEDHUFLNDY-RTBURBONSA-N 1 2 376.500 3.848 20 30 GHEDLO CCOC(=O)n1nc2c(c1Nc1ccc(C#C[Si](C)(C)C)cn1)C[NH2+]C2(C)C ZINC001170754208 892990073 /nfs/dbraw/zinc/99/00/73/892990073.db2.gz MWNPTVLQAOSMMF-UHFFFAOYSA-N 1 2 397.555 3.594 20 30 GHEDLO C#Cc1ccc(NC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)c(Cl)c1 ZINC000933351174 893013881 /nfs/dbraw/zinc/01/38/81/893013881.db2.gz DNTPODZTXLPJJX-UHFFFAOYSA-N 1 2 386.908 3.591 20 30 GHEDLO CC(C)(C)Oc1ccc(NC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1C#N ZINC000455778244 893300374 /nfs/dbraw/zinc/30/03/74/893300374.db2.gz UOBPYHKBEGEPLS-SFHVURJKSA-N 1 2 380.448 3.816 20 30 GHEDLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000778220191 893379141 /nfs/dbraw/zinc/37/91/41/893379141.db2.gz DRUJIFGFKZLFHZ-HNNXBMFYSA-N 1 2 394.313 3.762 20 30 GHEDLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000778220191 893379159 /nfs/dbraw/zinc/37/91/59/893379159.db2.gz DRUJIFGFKZLFHZ-HNNXBMFYSA-N 1 2 394.313 3.762 20 30 GHEDLO COc1ccccc1-c1noc([C@H](C)[NH2+]Cc2cc(C#N)ccc2N(C)C)n1 ZINC000877470800 893627742 /nfs/dbraw/zinc/62/77/42/893627742.db2.gz MXACWABJUAOWCH-AWEZNQCLSA-N 1 2 377.448 3.534 20 30 GHEDLO C=CC[N@@H+](CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccco1)C1CC1 ZINC000536742030 893673888 /nfs/dbraw/zinc/67/38/88/893673888.db2.gz NGAXQOWPRXCRIT-FQEVSTJZSA-N 1 2 379.460 3.616 20 30 GHEDLO C=CC[N@H+](CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccco1)C1CC1 ZINC000536742030 893673893 /nfs/dbraw/zinc/67/38/93/893673893.db2.gz NGAXQOWPRXCRIT-FQEVSTJZSA-N 1 2 379.460 3.616 20 30 GHEDLO N#Cc1c(Cl)cccc1SCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000536736821 893701415 /nfs/dbraw/zinc/70/14/15/893701415.db2.gz DGLIYWWVDZQTEB-UHFFFAOYSA-N 1 2 391.949 3.710 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)/C(=C\c3ccccc3)C(F)(F)F)CC2)cc1 ZINC001135509216 894736634 /nfs/dbraw/zinc/73/66/34/894736634.db2.gz MYUDVADAVRZZLZ-XSFVSMFZSA-N 1 2 399.416 3.848 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)c(C(F)(F)F)c1 ZINC000565512275 895687876 /nfs/dbraw/zinc/68/78/76/895687876.db2.gz OGKJDTNBJLJJQD-UHFFFAOYSA-N 1 2 393.434 3.987 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccsc3)CC2)c(C(F)(F)F)c1 ZINC000565512275 895687878 /nfs/dbraw/zinc/68/78/78/895687878.db2.gz OGKJDTNBJLJJQD-UHFFFAOYSA-N 1 2 393.434 3.987 20 30 GHEDLO COc1ccc(C2CC2)c(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000880863702 895946822 /nfs/dbraw/zinc/94/68/22/895946822.db2.gz DVJVJMQNVOHBPV-UHFFFAOYSA-N 1 2 390.487 3.794 20 30 GHEDLO NC(=[NH+]OCC[C@H]1CC1(Cl)Cl)c1ccc(OCc2cccnc2)cc1 ZINC000818076507 896017623 /nfs/dbraw/zinc/01/76/23/896017623.db2.gz IJCCBDVGEFEARU-HNNXBMFYSA-N 1 2 380.275 3.881 20 30 GHEDLO COc1cc(OC)c2ncc(C#N)c(NCc3cccc(-n4cc[nH+]c4)c3)c2c1 ZINC000566393831 896285886 /nfs/dbraw/zinc/28/58/86/896285886.db2.gz LQSSTELJFVKIEH-UHFFFAOYSA-N 1 2 385.427 3.921 20 30 GHEDLO C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)s1 ZINC000819198750 896470819 /nfs/dbraw/zinc/47/08/19/896470819.db2.gz DSXAOYXQOISMGV-UHFFFAOYSA-N 1 2 396.969 3.968 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1[C@@H]1CCc2cccc(Cl)c2C1 ZINC001170931054 896843181 /nfs/dbraw/zinc/84/31/81/896843181.db2.gz MAQKMPPWNZYHQA-OXQOHEQNSA-N 1 2 386.927 3.611 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1[C@@H]1CCc2cccc(Cl)c2C1 ZINC001170931054 896843192 /nfs/dbraw/zinc/84/31/92/896843192.db2.gz MAQKMPPWNZYHQA-OXQOHEQNSA-N 1 2 386.927 3.611 20 30 GHEDLO C=CCC[C@H](NC(=O)C(=O)N(C)CCCc1[nH+]ccn1CCC)c1ccccc1 ZINC000289347409 914152422 /nfs/dbraw/zinc/15/24/22/914152422.db2.gz LAQUQBLBGNRJPN-FQEVSTJZSA-N 1 2 396.535 3.508 20 30 GHEDLO CC(C)(C)OC(=O)NCc1nc2c(s1)CC[N@@H+]([C@H]1CCC[C@@H](C#N)C1)C2 ZINC000883280833 897439741 /nfs/dbraw/zinc/43/97/41/897439741.db2.gz OVPAIXNADHKYFR-KGLIPLIRSA-N 1 2 376.526 3.608 20 30 GHEDLO CC(C)(C)OC(=O)NCc1nc2c(s1)CC[N@H+]([C@H]1CCC[C@@H](C#N)C1)C2 ZINC000883280833 897439750 /nfs/dbraw/zinc/43/97/50/897439750.db2.gz OVPAIXNADHKYFR-KGLIPLIRSA-N 1 2 376.526 3.608 20 30 GHEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2cn(-c3ccc(Cl)cc3)nn2)CC1 ZINC000466826242 914196403 /nfs/dbraw/zinc/19/64/03/914196403.db2.gz NSDIUQWRHYCOJD-UHFFFAOYSA-N 1 2 392.894 3.505 20 30 GHEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2cn(-c3ccc(Cl)cc3)nn2)CC1 ZINC000466826242 914196407 /nfs/dbraw/zinc/19/64/07/914196407.db2.gz NSDIUQWRHYCOJD-UHFFFAOYSA-N 1 2 392.894 3.505 20 30 GHEDLO N#Cc1cc(S(=O)(=O)Oc2cccc(-n3cc[nH+]c3)c2)ccc1C(F)(F)F ZINC000800055284 898540864 /nfs/dbraw/zinc/54/08/64/898540864.db2.gz JAIIJQNRLSUHSA-UHFFFAOYSA-N 1 2 393.346 3.530 20 30 GHEDLO C[C@@H](c1cccc(NC(=O)[C@H](C#N)CCc2ccccc2)c1)[NH+]1CCOCC1 ZINC001136717225 899018742 /nfs/dbraw/zinc/01/87/42/899018742.db2.gz FUJMQBOEPBBZBB-RXVVDRJESA-N 1 2 377.488 3.791 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)N2CCC(C)(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000331962052 899303007 /nfs/dbraw/zinc/30/30/07/899303007.db2.gz VFAHEXFACTUSBD-ZWKOTPCHSA-N 1 2 392.906 3.950 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)N2CCC(C)(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000331962052 899303020 /nfs/dbraw/zinc/30/30/20/899303020.db2.gz VFAHEXFACTUSBD-ZWKOTPCHSA-N 1 2 392.906 3.950 20 30 GHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+]C(C)(C)c2nccs2)c1C#N ZINC000118848579 899483436 /nfs/dbraw/zinc/48/34/36/899483436.db2.gz FTEPDDCSNJWGAY-UHFFFAOYSA-N 1 2 397.504 3.538 20 30 GHEDLO CC(C)CO[C@H]1CC[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000119777418 899682530 /nfs/dbraw/zinc/68/25/30/899682530.db2.gz KHRGYFFNGACTEI-IRXDYDNUSA-N 1 2 375.538 3.766 20 30 GHEDLO CC(C)CO[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000119777418 899682534 /nfs/dbraw/zinc/68/25/34/899682534.db2.gz KHRGYFFNGACTEI-IRXDYDNUSA-N 1 2 375.538 3.766 20 30 GHEDLO C#CC[N@H+](Cc1cnn2c1CCC2)[C@H]1CCOc2ccc(Br)cc21 ZINC000824802812 899817742 /nfs/dbraw/zinc/81/77/42/899817742.db2.gz PUIHBUGLKUKUDZ-SFHVURJKSA-N 1 2 386.293 3.551 20 30 GHEDLO C#CC[N@@H+](Cc1cnn2c1CCC2)[C@H]1CCOc2ccc(Br)cc21 ZINC000824802812 899817748 /nfs/dbraw/zinc/81/77/48/899817748.db2.gz PUIHBUGLKUKUDZ-SFHVURJKSA-N 1 2 386.293 3.551 20 30 GHEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000573132903 900384144 /nfs/dbraw/zinc/38/41/44/900384144.db2.gz JGEFKTGQVZHHDV-UHFFFAOYSA-N 1 2 386.499 3.881 20 30 GHEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000573132903 900384159 /nfs/dbraw/zinc/38/41/59/900384159.db2.gz JGEFKTGQVZHHDV-UHFFFAOYSA-N 1 2 386.499 3.881 20 30 GHEDLO COc1cccc(OC)c1Oc1ccc(C[NH2+]Cc2nc(C#N)cs2)cn1 ZINC000574242333 900834002 /nfs/dbraw/zinc/83/40/02/900834002.db2.gz DPDDLADICFEWSU-UHFFFAOYSA-N 1 2 382.445 3.509 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844437581 900858645 /nfs/dbraw/zinc/85/86/45/900858645.db2.gz NXLURBLKJSREQX-KDOFPFPSSA-N 1 2 379.476 3.998 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844437581 900858653 /nfs/dbraw/zinc/85/86/53/900858653.db2.gz NXLURBLKJSREQX-KDOFPFPSSA-N 1 2 379.476 3.998 20 30 GHEDLO COc1ccc(C[NH+]2CCN([C@@H](C)c3cccnc3)CC2)cc1OCCCC#N ZINC000093413551 901547246 /nfs/dbraw/zinc/54/72/46/901547246.db2.gz ZNIYCDHUZFRIHT-IBGZPJMESA-N 1 2 394.519 3.652 20 30 GHEDLO N#Cc1ccc(-c2cccc(CNC(=O)Cc3cn4c([nH+]3)CCCC4)c2)s1 ZINC000845585574 902267583 /nfs/dbraw/zinc/26/75/83/902267583.db2.gz PLWDQNPXEMFRAV-UHFFFAOYSA-N 1 2 376.485 3.678 20 30 GHEDLO C=CCn1c(C2CCC2)nnc1N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000577106780 902506481 /nfs/dbraw/zinc/50/64/81/902506481.db2.gz SFQGIFIENCDIDG-UHFFFAOYSA-N 1 2 380.540 3.870 20 30 GHEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@@H](Oc4ccccc4Cl)C3)o2)cc1 ZINC000128567656 902685639 /nfs/dbraw/zinc/68/56/39/902685639.db2.gz OGTWJMKMHDMJCJ-MRXNPFEDSA-N 1 2 380.835 3.915 20 30 GHEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@@H](Oc4ccccc4Cl)C3)o2)cc1 ZINC000128567656 902685646 /nfs/dbraw/zinc/68/56/46/902685646.db2.gz OGTWJMKMHDMJCJ-MRXNPFEDSA-N 1 2 380.835 3.915 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000846822136 903242914 /nfs/dbraw/zinc/24/29/14/903242914.db2.gz XEYXVANOYOJEEI-SFHVURJKSA-N 1 2 397.479 3.788 20 30 GHEDLO CC[N@H+](CC(=O)N1CCC(C#N)(c2ccccn2)CC1)Cc1ccccc1Cl ZINC000578569493 903972269 /nfs/dbraw/zinc/97/22/69/903972269.db2.gz IASDWLWFGDHURV-UHFFFAOYSA-N 1 2 396.922 3.641 20 30 GHEDLO CC[N@@H+](CC(=O)N1CCC(C#N)(c2ccccn2)CC1)Cc1ccccc1Cl ZINC000578569493 903972277 /nfs/dbraw/zinc/97/22/77/903972277.db2.gz IASDWLWFGDHURV-UHFFFAOYSA-N 1 2 396.922 3.641 20 30 GHEDLO CCC(=O)c1cccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000152405848 904264504 /nfs/dbraw/zinc/26/45/04/904264504.db2.gz NQFVQANFFCFBOW-UHFFFAOYSA-N 1 2 390.487 3.891 20 30 GHEDLO CCC(=O)c1cccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000152405848 904264514 /nfs/dbraw/zinc/26/45/14/904264514.db2.gz NQFVQANFFCFBOW-UHFFFAOYSA-N 1 2 390.487 3.891 20 30 GHEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000579040560 904308114 /nfs/dbraw/zinc/30/81/14/904308114.db2.gz PZOFVWDSNRFEEL-INIZCTEOSA-N 1 2 382.895 3.751 20 30 GHEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000579040560 904308127 /nfs/dbraw/zinc/30/81/27/904308127.db2.gz PZOFVWDSNRFEEL-INIZCTEOSA-N 1 2 382.895 3.751 20 30 GHEDLO CCn1cncc1/C=C1\CN(c2ccccc2)C/C(=C/c2c[nH+]cn2CC)C1=O ZINC000901466029 921135212 /nfs/dbraw/zinc/13/52/12/921135212.db2.gz IKRZMZPBCXYJRN-OMYAATJGSA-N 1 2 387.487 3.676 20 30 GHEDLO CCn1cncc1/C=C1/CN(c2ccccc2)C/C(=C\c2c[nH+]cn2CC)C1=O ZINC000901466029 921135221 /nfs/dbraw/zinc/13/52/21/921135221.db2.gz IKRZMZPBCXYJRN-OMYAATJGSA-N 1 2 387.487 3.676 20 30 GHEDLO N#CCc1nn(-c2ccccc2)c(Nc2ccc(Cn3cc[nH+]c3)cc2)c1C#N ZINC001212695390 906055195 /nfs/dbraw/zinc/05/51/95/906055195.db2.gz DSLMZFWYNFJXCM-UHFFFAOYSA-N 1 2 379.427 3.798 20 30 GHEDLO C[C@H]1CCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000177745283 906208857 /nfs/dbraw/zinc/20/88/57/906208857.db2.gz HBHNPKDONDBHBW-YJBOKZPZSA-N 1 2 390.409 3.546 20 30 GHEDLO C=CCOC1CCC([NH2+][C@@H](Cc2ccc(Br)cc2)C(=O)OC)CC1 ZINC001173312469 906364389 /nfs/dbraw/zinc/36/43/89/906364389.db2.gz IDIFPRLQSVNTDH-ABHNRTSZSA-N 1 2 396.325 3.637 20 30 GHEDLO CCC(C#N)(CC)[NH2+]C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC001173394012 906421616 /nfs/dbraw/zinc/42/16/16/906421616.db2.gz QRSRJUQRWRRVMB-UHFFFAOYSA-N 1 2 378.314 3.726 20 30 GHEDLO CC(C)[C@](C)(C#N)[NH2+]C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC001173382250 906450948 /nfs/dbraw/zinc/45/09/48/906450948.db2.gz BADFPBWSLBZWTE-SFHVURJKSA-N 1 2 378.314 3.582 20 30 GHEDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179762137 906588541 /nfs/dbraw/zinc/58/85/41/906588541.db2.gz JRIXRSOYOMDCGB-CQSZACIVSA-N 1 2 387.443 3.808 20 30 GHEDLO CCCCCCCCc1nnc(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)s1 ZINC000779393071 906694949 /nfs/dbraw/zinc/69/49/49/906694949.db2.gz RLMBGYGIRVEFAK-AWEZNQCLSA-N 1 2 376.530 3.774 20 30 GHEDLO N#Cc1c2ccc(Cl)cc2sc1Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001174490016 907048245 /nfs/dbraw/zinc/04/82/45/907048245.db2.gz KBNXOKYCYIIJFB-UHFFFAOYSA-N 1 2 387.896 3.699 20 30 GHEDLO FC(F)(F)c1ccc(C#CC[NH+]2CCN(c3cc(Cl)ccn3)CC2)cc1 ZINC001176287082 908014249 /nfs/dbraw/zinc/01/42/49/908014249.db2.gz AYVMFYWQITYJHM-UHFFFAOYSA-N 1 2 379.813 3.928 20 30 GHEDLO C=CCn1cc(Nc2cc[nH+]c3cc(I)ccc23)cn1 ZINC001176545656 908140214 /nfs/dbraw/zinc/14/02/14/908140214.db2.gz HUQDZLUEXQZAOI-UHFFFAOYSA-N 1 2 376.201 3.966 20 30 GHEDLO COc1ccccc1CCCO[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000779951670 909151742 /nfs/dbraw/zinc/15/17/42/909151742.db2.gz HBKBOORWHOQYSX-UHFFFAOYSA-N 1 2 391.471 3.939 20 30 GHEDLO N#Cc1cc(NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)ccc1Br ZINC001179042059 909359170 /nfs/dbraw/zinc/35/91/70/909359170.db2.gz GTTUQNHGDFLRSI-LBPRGKRZSA-N 1 2 387.159 3.649 20 30 GHEDLO CCc1ccc(C#CC(=O)NCCc2cn(Cc3ccc(Cl)cc3)c[nH+]2)cc1 ZINC001181360880 910726048 /nfs/dbraw/zinc/72/60/48/910726048.db2.gz ZFFRVXJGZKEOJU-UHFFFAOYSA-N 1 2 391.902 3.858 20 30 GHEDLO N#CCc1cccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(Br)cc3)C2)c1 ZINC001188689346 916113661 /nfs/dbraw/zinc/11/36/61/916113661.db2.gz QQRJJICWDYPYTR-IBGZPJMESA-N 1 2 398.304 3.519 20 30 GHEDLO N#CCc1cccc(C(=O)N[C@H]2CC[N@H+](Cc3ccc(Br)cc3)C2)c1 ZINC001188689346 916113670 /nfs/dbraw/zinc/11/36/70/916113670.db2.gz QQRJJICWDYPYTR-IBGZPJMESA-N 1 2 398.304 3.519 20 30 GHEDLO C=C(C)[C@@H](CO)Sc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC000649395619 916138463 /nfs/dbraw/zinc/13/84/63/916138463.db2.gz VXCAXZXBHUMIOM-MRXNPFEDSA-N 1 2 378.929 3.546 20 30 GHEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000796446895 917380684 /nfs/dbraw/zinc/38/06/84/917380684.db2.gz CYIMUYUREHMUSO-MTGKDYNDSA-N 1 2 396.453 3.646 20 30 GHEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000796446895 917380697 /nfs/dbraw/zinc/38/06/97/917380697.db2.gz CYIMUYUREHMUSO-MTGKDYNDSA-N 1 2 396.453 3.646 20 30 GHEDLO C=CCCc1ccc(S(=O)(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC001191016546 917708740 /nfs/dbraw/zinc/70/87/40/917708740.db2.gz QCHJZJDMKPNTCS-UHFFFAOYSA-N 1 2 381.501 3.529 20 30 GHEDLO C#CCCOc1ccc(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000296125891 917877273 /nfs/dbraw/zinc/87/72/73/917877273.db2.gz FUWMXSYBMRKZOH-UHFFFAOYSA-N 1 2 377.488 3.641 20 30 GHEDLO COc1cccc(F)c1[C@@H](C)[NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000775460476 918012153 /nfs/dbraw/zinc/01/21/53/918012153.db2.gz VGEDIRKXRGJWLW-HIFRSBDPSA-N 1 2 390.418 3.722 20 30 GHEDLO Cc1ccc2[nH+]c(CSCC(=O)N[C@H](C#N)c3ccc(Cl)cc3)cn2c1 ZINC000114688660 919410985 /nfs/dbraw/zinc/41/09/85/919410985.db2.gz JFMIDPKKQWWCSI-QGZVFWFLSA-N 1 2 384.892 3.910 20 30 GHEDLO C=CC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2noc(C)n2)CC1)c1ccccc1 ZINC000364714489 919895931 /nfs/dbraw/zinc/89/59/31/919895931.db2.gz IDVNPSPQHLHLMP-VQTJNVASSA-N 1 2 382.508 3.551 20 30 GHEDLO C=CC[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2noc(C)n2)CC1)c1ccccc1 ZINC000364714489 919895943 /nfs/dbraw/zinc/89/59/43/919895943.db2.gz IDVNPSPQHLHLMP-VQTJNVASSA-N 1 2 382.508 3.551 20 30 GHEDLO Cc1cc(F)cc2c1C[N@H+](CC(=O)[C@H](C#N)c1nc3ccccc3s1)CC2 ZINC000800472514 920150580 /nfs/dbraw/zinc/15/05/80/920150580.db2.gz REWBWVYXFGDYJM-INIZCTEOSA-N 1 2 379.460 3.978 20 30 GHEDLO Cc1cc(F)cc2c1C[N@@H+](CC(=O)[C@H](C#N)c1nc3ccccc3s1)CC2 ZINC000800472514 920150585 /nfs/dbraw/zinc/15/05/85/920150585.db2.gz REWBWVYXFGDYJM-INIZCTEOSA-N 1 2 379.460 3.978 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000368787462 922874045 /nfs/dbraw/zinc/87/40/45/922874045.db2.gz WDGXYYRFXBNAJA-WMZOPIPTSA-N 1 2 387.549 3.768 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000368787462 922874061 /nfs/dbraw/zinc/87/40/61/922874061.db2.gz WDGXYYRFXBNAJA-WMZOPIPTSA-N 1 2 387.549 3.768 20 30 GHEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(O)(c2scnc2Br)CC1 ZINC000369721596 923570771 /nfs/dbraw/zinc/57/07/71/923570771.db2.gz FUEPDKGAYTZNGW-GFCCVEGCSA-N 1 2 392.322 3.822 20 30 GHEDLO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000369752906 923598743 /nfs/dbraw/zinc/59/87/43/923598743.db2.gz LINODZSTQDXMNK-DHIUTWEWSA-N 1 2 399.498 3.913 20 30 GHEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)cc1 ZINC000826889239 924323281 /nfs/dbraw/zinc/32/32/81/924323281.db2.gz SDCQDSOQRQTCKX-ZDUSSCGKSA-N 1 2 389.377 3.994 20 30 GHEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)cc1 ZINC000826889239 924323287 /nfs/dbraw/zinc/32/32/87/924323287.db2.gz SDCQDSOQRQTCKX-ZDUSSCGKSA-N 1 2 389.377 3.994 20 30 GHEDLO CC(=[NH+]Nc1nc2ccccc2c(=O)n1C)c1ccc(N2CCCCC2)cc1 ZINC000725848427 926466601 /nfs/dbraw/zinc/46/66/01/926466601.db2.gz UEFRSVJSCZQFIW-UHFFFAOYSA-N 1 2 375.476 3.760 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000373960769 926595055 /nfs/dbraw/zinc/59/50/55/926595055.db2.gz VXDSEIXAZWPQOD-IRXDYDNUSA-N 1 2 395.532 3.689 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000373960769 926595063 /nfs/dbraw/zinc/59/50/63/926595063.db2.gz VXDSEIXAZWPQOD-IRXDYDNUSA-N 1 2 395.532 3.689 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(OCC2CC2)CC1 ZINC000374095540 926752767 /nfs/dbraw/zinc/75/27/67/926752767.db2.gz UMRZEEYQGDEAII-INIZCTEOSA-N 1 2 387.549 3.768 20 30 GHEDLO C=CCOc1ccc(-c2nn(C[N@@H+]3CC[C@H]([C@H]4CCOC4)C3)c(=S)o2)cc1 ZINC000749799635 927278605 /nfs/dbraw/zinc/27/86/05/927278605.db2.gz YKKMUVINYQDZMI-IRXDYDNUSA-N 1 2 387.505 3.753 20 30 GHEDLO C=CCOc1ccc(-c2nn(C[N@H+]3CC[C@H]([C@H]4CCOC4)C3)c(=S)o2)cc1 ZINC000749799635 927278618 /nfs/dbraw/zinc/27/86/18/927278618.db2.gz YKKMUVINYQDZMI-IRXDYDNUSA-N 1 2 387.505 3.753 20 30 GHEDLO N#Cc1cc2ccccc2nc1N1CC[NH+]([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000750028931 927396585 /nfs/dbraw/zinc/39/65/85/927396585.db2.gz BOFDPHCUBCRQPF-NRFANRHFSA-N 1 2 392.890 3.615 20 30 GHEDLO CO[C@H]1C[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)CC[C@H]1C ZINC000467302075 928936121 /nfs/dbraw/zinc/93/61/21/928936121.db2.gz DMJYZCQNEYMWTG-QRWLVFNGSA-N 1 2 386.540 3.777 20 30 GHEDLO CO[C@H]1C[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)CC[C@H]1C ZINC000467302075 928936134 /nfs/dbraw/zinc/93/61/34/928936134.db2.gz DMJYZCQNEYMWTG-QRWLVFNGSA-N 1 2 386.540 3.777 20 30 GHEDLO O=C(Nc1cccc(C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)c1)c1ccc(Cl)cc1 ZINC000753936288 929600694 /nfs/dbraw/zinc/60/06/94/929600694.db2.gz RKNWCIASFRVFFC-KDURUIRLSA-N 1 2 395.894 3.786 20 30 GHEDLO COc1cc(C#N)ccc1NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000546005217 929766210 /nfs/dbraw/zinc/76/62/10/929766210.db2.gz GSCLBXAZRFCEAK-FPOVZHCZSA-N 1 2 387.443 3.814 20 30 GHEDLO C#CC[C@H](NC(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1)c1ccccc1 ZINC000757777628 929797055 /nfs/dbraw/zinc/79/70/55/929797055.db2.gz HFTAUDVZULETEC-CVDCTZTESA-N 1 2 391.515 3.848 20 30 GHEDLO Cc1sc(NC(=O)CO[NH+]=C(N)c2ccc(Br)cc2)c(C)c1C ZINC000782948149 931372902 /nfs/dbraw/zinc/37/29/02/931372902.db2.gz HRZOAGVVLYYTEE-UHFFFAOYSA-N 1 2 396.310 3.711 20 30 GHEDLO C=CCN(CCC#N)C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000557383544 931392832 /nfs/dbraw/zinc/39/28/32/931392832.db2.gz LAGRUEGZJAYRPK-QGZVFWFLSA-N 1 2 376.298 3.514 20 30 GHEDLO Cc1cc(C#N)ccc1C[NH+]1CCC(O)(c2scnc2Br)CC1 ZINC000797523301 932318771 /nfs/dbraw/zinc/31/87/71/932318771.db2.gz IVLXCGBIOMJQQK-UHFFFAOYSA-N 1 2 392.322 3.569 20 30 GHEDLO C[C@@H]([NH2+]C1(c2ncc(Br)cn2)CCC1)c1ccc(OCC#N)cc1 ZINC000927147774 932431554 /nfs/dbraw/zinc/43/15/54/932431554.db2.gz QDGJCJBNPIAMJU-CYBMUJFWSA-N 1 2 387.281 3.871 20 30 GHEDLO COc1ccc2cc(C[NH2+][C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)ccc2c1 ZINC000798274584 932587451 /nfs/dbraw/zinc/58/74/51/932587451.db2.gz GXRZTXUQTJCBNJ-QUCCMNQESA-N 1 2 381.476 3.697 20 30 GHEDLO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2cccc(-c3cccnc3)c2)[C@@H](C#N)C1 ZINC000798275279 932588674 /nfs/dbraw/zinc/58/86/74/932588674.db2.gz PLGXWPAJNBKFSQ-PMACEKPBSA-N 1 2 378.476 3.597 20 30 GHEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H]([NH2+]Cc2ccc(Cl)c3cccnc23)C1 ZINC000798275137 932589082 /nfs/dbraw/zinc/58/90/82/932589082.db2.gz NTTFNMDIJNYPBE-RHSMWYFYSA-N 1 2 386.883 3.737 20 30 GHEDLO N#Cc1c2c(sc1NC(=O)C[N@@H+]1CC[C@@H](c3ccncc3)C1)CCCCC2 ZINC000559638712 932772224 /nfs/dbraw/zinc/77/22/24/932772224.db2.gz IDECYGMNFXSVLD-MRXNPFEDSA-N 1 2 380.517 3.712 20 30 GHEDLO N#Cc1c2c(sc1NC(=O)C[N@H+]1CC[C@@H](c3ccncc3)C1)CCCCC2 ZINC000559638712 932772246 /nfs/dbraw/zinc/77/22/46/932772246.db2.gz IDECYGMNFXSVLD-MRXNPFEDSA-N 1 2 380.517 3.712 20 30 GHEDLO CCn1c(CCCCC#N)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001121692643 934740868 /nfs/dbraw/zinc/74/08/68/934740868.db2.gz QQXFNDJYINJRLY-UHFFFAOYSA-N 1 2 386.931 3.510 20 30 GHEDLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(C(=O)NCCc2ccc(C#N)cc2)C1 ZINC001122062838 934811678 /nfs/dbraw/zinc/81/16/78/934811678.db2.gz ZJFOZQJKGUUSSU-LJQANCHMSA-N 1 2 379.508 3.641 20 30 GHEDLO CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)NCCc2ccc(C#N)cc2)C1 ZINC001122062837 934811814 /nfs/dbraw/zinc/81/18/14/934811814.db2.gz ZJFOZQJKGUUSSU-IBGZPJMESA-N 1 2 379.508 3.641 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 ZINC001122529712 934891192 /nfs/dbraw/zinc/89/11/92/934891192.db2.gz LOBOWLUQTKVMNQ-OAQYLSRUSA-N 1 2 388.519 3.786 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 ZINC001122529712 934891199 /nfs/dbraw/zinc/89/11/99/934891199.db2.gz LOBOWLUQTKVMNQ-OAQYLSRUSA-N 1 2 388.519 3.786 20 30 GHEDLO CC(C)(C)OC(=O)NCCC[N@H+](Cc1ccccc1)Cc1ccncc1C#N ZINC000828450900 935634870 /nfs/dbraw/zinc/63/48/70/935634870.db2.gz PUBIGCFWLCIYBG-UHFFFAOYSA-N 1 2 380.492 3.870 20 30 GHEDLO CC(C)(C)OC(=O)NCCC[N@@H+](Cc1ccccc1)Cc1ccncc1C#N ZINC000828450900 935634872 /nfs/dbraw/zinc/63/48/72/935634872.db2.gz PUBIGCFWLCIYBG-UHFFFAOYSA-N 1 2 380.492 3.870 20 30 GHEDLO CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccncc2C#N)CC1 ZINC000828604439 935674104 /nfs/dbraw/zinc/67/41/04/935674104.db2.gz YOCZKHAHLXSXPO-IBGZPJMESA-N 1 2 384.524 3.811 20 30 GHEDLO N#Cc1ccc(Cc2cnc(NC(=O)C[NH+]3CCCC3)s2)c(C(F)(F)F)c1 ZINC001626095816 1014879553 /nfs/dbraw/zinc/87/95/53/1014879553.db2.gz MLZLPYMFUDQHTG-UHFFFAOYSA-N 1 2 394.422 3.659 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cccc(C(=O)[O-])c1C#N ZINC001594542749 986190240 /nfs/dbraw/zinc/19/02/40/986190240.db2.gz TXOOWEMFYWBRKB-YPGOJHLTSA-N 1 2 377.488 3.503 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cccc(C(=O)[O-])c1C#N ZINC001594542749 986190248 /nfs/dbraw/zinc/19/02/48/986190248.db2.gz TXOOWEMFYWBRKB-YPGOJHLTSA-N 1 2 377.488 3.503 20 30 GHEDLO C=CCOc1ccc(/C=C\C(=O)N2CCC[C@H]2c2[nH]c(C)c(C)[nH+]2)cc1OC ZINC001155186755 1032450126 /nfs/dbraw/zinc/45/01/26/1032450126.db2.gz ZSOJQBFSBXQXMU-FYGXRCCRSA-N 1 2 381.476 3.977 20 30 GHEDLO N#CCCCN1CC[C@@]2(CCC[N@@H+](Cc3cccc(Cl)c3O)CC2)C1=O ZINC001277231894 1032516805 /nfs/dbraw/zinc/51/68/05/1032516805.db2.gz HLBHFWHVSFNMQB-FQEVSTJZSA-N 1 2 375.900 3.554 20 30 GHEDLO N#CCCCN1CC[C@@]2(CCC[N@H+](Cc3cccc(Cl)c3O)CC2)C1=O ZINC001277231894 1032516812 /nfs/dbraw/zinc/51/68/12/1032516812.db2.gz HLBHFWHVSFNMQB-FQEVSTJZSA-N 1 2 375.900 3.554 20 30 GHEDLO C=CCc1cc(OC)cc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)c1O ZINC000777571908 1017134823 /nfs/dbraw/zinc/13/48/23/1017134823.db2.gz YENUSSIUCFFKGZ-HXUWFJFHSA-N 1 2 375.415 3.981 20 30 GHEDLO C=CCc1cc(OC)cc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)c1O ZINC000777571908 1017134831 /nfs/dbraw/zinc/13/48/31/1017134831.db2.gz YENUSSIUCFFKGZ-HXUWFJFHSA-N 1 2 375.415 3.981 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@@H](c2ncccn2)C2CC2)c1C#N ZINC000932361698 1018225121 /nfs/dbraw/zinc/22/51/21/1018225121.db2.gz NPKAUDDIHNYGNA-HXUWFJFHSA-N 1 2 392.507 3.561 20 30 GHEDLO Cc1cc(N2CCN(C(=O)Nc3ccc(CCC#N)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000932584352 1018490889 /nfs/dbraw/zinc/49/08/89/1018490889.db2.gz VAQLJZQBCQKHOP-UHFFFAOYSA-N 1 2 392.507 3.719 20 30 GHEDLO CCOC(=O)c1ccc(N2CCN(c3[nH+]ccc4ccc(C#N)cc43)CC2)cc1 ZINC001155952693 1032810487 /nfs/dbraw/zinc/81/04/87/1032810487.db2.gz SBIVFIPZRYZDQY-UHFFFAOYSA-N 1 2 386.455 3.610 20 30 GHEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cc(Br)ccc1F)C2 ZINC001204495740 1032926946 /nfs/dbraw/zinc/92/69/46/1032926946.db2.gz CCROPNRTIZMFLJ-AEFFLSMTSA-N 1 2 384.289 3.914 20 30 GHEDLO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1cc(Br)ccc1F)C2 ZINC001204495740 1032926950 /nfs/dbraw/zinc/92/69/50/1032926950.db2.gz CCROPNRTIZMFLJ-AEFFLSMTSA-N 1 2 384.289 3.914 20 30 GHEDLO C[C@@H](c1ccccc1)N(Cc1ccc(C#N)cc1)c1cc[nH+]c(N2CCOCC2)n1 ZINC001156225423 1032932098 /nfs/dbraw/zinc/93/20/98/1032932098.db2.gz ASQZCKQFTBBSKE-IBGZPJMESA-N 1 2 399.498 3.953 20 30 GHEDLO COc1cccc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)c1F ZINC000192946549 1020904960 /nfs/dbraw/zinc/90/49/60/1020904960.db2.gz YHESLEQJQMIIBS-UHFFFAOYSA-N 1 2 376.435 3.576 20 30 GHEDLO C[NH+](C)Cc1cnc(/C=C2/Cc3c(ccc(F)c3Br)C2=O)s1 ZINC000834450794 1021186558 /nfs/dbraw/zinc/18/65/58/1021186558.db2.gz DZLHUCCPAKENHN-TWGQIWQCSA-N 1 2 381.270 3.929 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC2(C[NH+](Cc3cc(F)c(C#N)c(F)c3)C2)CC1 ZINC001140752820 1022436398 /nfs/dbraw/zinc/43/63/98/1022436398.db2.gz PDBOHEBHMIEHFY-UHFFFAOYSA-N 1 2 377.435 3.669 20 30 GHEDLO N#Cc1c(F)cc(C[N@@H+]2CCC[C@H](N3Cc4ccccc4NC3=O)C2)cc1F ZINC001140755532 1022445546 /nfs/dbraw/zinc/44/55/46/1022445546.db2.gz JGPXAQZZTYSDHG-INIZCTEOSA-N 1 2 382.414 3.849 20 30 GHEDLO N#Cc1c(F)cc(C[N@H+]2CCC[C@H](N3Cc4ccccc4NC3=O)C2)cc1F ZINC001140755532 1022445551 /nfs/dbraw/zinc/44/55/51/1022445551.db2.gz JGPXAQZZTYSDHG-INIZCTEOSA-N 1 2 382.414 3.849 20 30 GHEDLO N#Cc1nccnc1N1CC[NH+](Cc2ccc(-c3ccccc3Cl)o2)CC1 ZINC001204738648 1033056194 /nfs/dbraw/zinc/05/61/94/1033056194.db2.gz LSJOZERVPIFFSR-UHFFFAOYSA-N 1 2 379.851 3.584 20 30 GHEDLO N#Cc1cccc(C[NH+]2CCN(c3ccc(-c4ncccn4)cc3)CC2)c1Cl ZINC001140814775 1022613078 /nfs/dbraw/zinc/61/30/78/1022613078.db2.gz PRHQIDKHGNFYRE-UHFFFAOYSA-N 1 2 389.890 3.991 20 30 GHEDLO Cc1cnc(C(C)(C)[NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)s1 ZINC000754701728 1022842411 /nfs/dbraw/zinc/84/24/11/1022842411.db2.gz PVHGROJDYQIYSE-AWEZNQCLSA-N 1 2 377.473 3.514 20 30 GHEDLO Cc1nc(NCc2cccc(C(=O)OCCOc3ccc(C#N)cc3)c2)cc[nH+]1 ZINC000754951739 1022980277 /nfs/dbraw/zinc/98/02/77/1022980277.db2.gz IMOWDYIRUPHCIL-UHFFFAOYSA-N 1 2 388.427 3.505 20 30 GHEDLO C#CCN(C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CCCC1 ZINC000755098359 1023072422 /nfs/dbraw/zinc/07/24/22/1023072422.db2.gz IHCAIGOVGBYWFE-MOPGFXCFSA-N 1 2 377.891 3.812 20 30 GHEDLO C#CCN(C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CCCC1 ZINC000755098359 1023072425 /nfs/dbraw/zinc/07/24/25/1023072425.db2.gz IHCAIGOVGBYWFE-MOPGFXCFSA-N 1 2 377.891 3.812 20 30 GHEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)Nc3cccc(CC#N)c3)CC2)cc1 ZINC000836761972 1023347560 /nfs/dbraw/zinc/34/75/60/1023347560.db2.gz CCHZOYOXOMODNT-UHFFFAOYSA-N 1 2 377.492 3.609 20 30 GHEDLO COc1cc(C[N@H+](C)Cc2sc(N)c(C#N)c2Cl)cc(OC)c1OC ZINC001141114185 1023530569 /nfs/dbraw/zinc/53/05/69/1023530569.db2.gz GWQCWTLQQWGAKN-UHFFFAOYSA-N 1 2 381.885 3.513 20 30 GHEDLO COc1cc(C[N@@H+](C)Cc2sc(N)c(C#N)c2Cl)cc(OC)c1OC ZINC001141114185 1023530579 /nfs/dbraw/zinc/53/05/79/1023530579.db2.gz GWQCWTLQQWGAKN-UHFFFAOYSA-N 1 2 381.885 3.513 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc2c(c1)CCC(C)(C)O2 ZINC001141183710 1024032698 /nfs/dbraw/zinc/03/26/98/1024032698.db2.gz RMNZJVCTTZBZKF-FQEVSTJZSA-N 1 2 381.520 3.826 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc2c(c1)CCC(C)(C)O2 ZINC001141183710 1024032712 /nfs/dbraw/zinc/03/27/12/1024032712.db2.gz RMNZJVCTTZBZKF-FQEVSTJZSA-N 1 2 381.520 3.826 20 30 GHEDLO COc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC000831193536 1024414616 /nfs/dbraw/zinc/41/46/16/1024414616.db2.gz MTDSOEBYJCUNPD-PKOBYXMFSA-N 1 2 387.842 3.535 20 30 GHEDLO COc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC000831193536 1024414621 /nfs/dbraw/zinc/41/46/21/1024414621.db2.gz MTDSOEBYJCUNPD-PKOBYXMFSA-N 1 2 387.842 3.535 20 30 GHEDLO CCCC[N@H+](CCC#N)Cc1ccc(Br)cc1N1CCOCC1 ZINC001138710302 1025233750 /nfs/dbraw/zinc/23/37/50/1025233750.db2.gz JZTGVPUJWYWQIJ-UHFFFAOYSA-N 1 2 380.330 3.801 20 30 GHEDLO CCCC[N@@H+](CCC#N)Cc1ccc(Br)cc1N1CCOCC1 ZINC001138710302 1025233765 /nfs/dbraw/zinc/23/37/65/1025233765.db2.gz JZTGVPUJWYWQIJ-UHFFFAOYSA-N 1 2 380.330 3.801 20 30 GHEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cn(C3CCCC3)nc2-c2ccccn2)n1 ZINC000839065524 1025553948 /nfs/dbraw/zinc/55/39/48/1025553948.db2.gz MQOZHRIRJHLXEI-UHFFFAOYSA-N 1 2 388.519 3.912 20 30 GHEDLO C#CCn1ccc(C[N@H+](CC)Cc2cn(C3CCCC3)nc2-c2ccccn2)n1 ZINC000839065524 1025553958 /nfs/dbraw/zinc/55/39/58/1025553958.db2.gz MQOZHRIRJHLXEI-UHFFFAOYSA-N 1 2 388.519 3.912 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(OCC)c(OCC)c1 ZINC001138975018 1025697782 /nfs/dbraw/zinc/69/77/82/1025697782.db2.gz XTLFSAJPTWWBSA-IBGZPJMESA-N 1 2 385.508 3.520 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(OCC)c(OCC)c1 ZINC001138975018 1025697787 /nfs/dbraw/zinc/69/77/87/1025697787.db2.gz XTLFSAJPTWWBSA-IBGZPJMESA-N 1 2 385.508 3.520 20 30 GHEDLO CCOc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c(OCC)c1 ZINC001138979626 1025708080 /nfs/dbraw/zinc/70/80/80/1025708080.db2.gz GNZSUMZRGZFSFZ-UHFFFAOYSA-N 1 2 383.467 3.817 20 30 GHEDLO C=CCOc1ccccc1C[N@@H+]1CCc2onc(COc3ccccn3)c2C1 ZINC001139031968 1025799756 /nfs/dbraw/zinc/79/97/56/1025799756.db2.gz FJAOZSDICFEROS-UHFFFAOYSA-N 1 2 377.444 3.772 20 30 GHEDLO C=CCOc1ccccc1C[N@H+]1CCc2onc(COc3ccccn3)c2C1 ZINC001139031968 1025799777 /nfs/dbraw/zinc/79/97/77/1025799777.db2.gz FJAOZSDICFEROS-UHFFFAOYSA-N 1 2 377.444 3.772 20 30 GHEDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)[C@H](C)Oc3ccc(C#N)cc3)CC2)cc1 ZINC001141600351 1025812885 /nfs/dbraw/zinc/81/28/85/1025812885.db2.gz YUIOYGXRVTYCDE-IBGZPJMESA-N 1 2 391.515 3.793 20 30 GHEDLO Cn1cc(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)c2cc(Br)ccc21 ZINC001139215938 1026068099 /nfs/dbraw/zinc/06/80/99/1026068099.db2.gz URVXZTKPOBCQGS-MRXNPFEDSA-N 1 2 377.307 3.715 20 30 GHEDLO Cn1cc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)c2cc(Br)ccc21 ZINC001139215938 1026068110 /nfs/dbraw/zinc/06/81/10/1026068110.db2.gz URVXZTKPOBCQGS-MRXNPFEDSA-N 1 2 377.307 3.715 20 30 GHEDLO COC(=O)c1ccc(C[NH+](Cc2ccc(C#N)cc2)Cc2ccc(C#N)cc2)nc1 ZINC001139496068 1026352423 /nfs/dbraw/zinc/35/24/23/1026352423.db2.gz CIZLHTJZYZMWGG-UHFFFAOYSA-N 1 2 396.450 3.814 20 30 GHEDLO N#Cc1c(Cl)cccc1C[N@@H+]1CCC[C@@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001139689610 1026540793 /nfs/dbraw/zinc/54/07/93/1026540793.db2.gz QZBVFTPSUPSCIT-LAUBAEHRSA-N 1 2 383.879 3.809 20 30 GHEDLO N#Cc1c(Cl)cccc1C[N@H+]1CCC[C@@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001139689610 1026540799 /nfs/dbraw/zinc/54/07/99/1026540799.db2.gz QZBVFTPSUPSCIT-LAUBAEHRSA-N 1 2 383.879 3.809 20 30 GHEDLO COc1ccccc1C(=O)NC1CC[NH+](Cc2cccc(Cl)c2C#N)CC1 ZINC001139692949 1026543308 /nfs/dbraw/zinc/54/33/08/1026543308.db2.gz MZSXTFVUGXDOFD-UHFFFAOYSA-N 1 2 383.879 3.615 20 30 GHEDLO CC(C)COC[C@@H]1C[N@H+](Cc2c[nH]c3c2cccc3C#N)Cc2ncn(C)c21 ZINC001139702331 1026547244 /nfs/dbraw/zinc/54/72/44/1026547244.db2.gz AIOJYTSDZUWOEU-SFHVURJKSA-N 1 2 377.492 3.545 20 30 GHEDLO CC(C)COC[C@@H]1C[N@@H+](Cc2c[nH]c3c2cccc3C#N)Cc2ncn(C)c21 ZINC001139702331 1026547254 /nfs/dbraw/zinc/54/72/54/1026547254.db2.gz AIOJYTSDZUWOEU-SFHVURJKSA-N 1 2 377.492 3.545 20 30 GHEDLO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cc(Br)cnc1F)CC2 ZINC001140006068 1026792628 /nfs/dbraw/zinc/79/26/28/1026792628.db2.gz OIFXFVFCUDMQJP-GOSISDBHSA-N 1 2 396.304 3.516 20 30 GHEDLO C=CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1cc(Br)cnc1F)CC2 ZINC001140006068 1026792635 /nfs/dbraw/zinc/79/26/35/1026792635.db2.gz OIFXFVFCUDMQJP-GOSISDBHSA-N 1 2 396.304 3.516 20 30 GHEDLO N#Cc1ccc2[nH]cc(C[NH+]3CCN(C(=O)c4ccccc4Cl)CC3)c2c1 ZINC001140114855 1026897460 /nfs/dbraw/zinc/89/74/60/1026897460.db2.gz CPQAPNWUIZWQIU-UHFFFAOYSA-N 1 2 378.863 3.651 20 30 GHEDLO C=CCOC[C@@H]1C[N@H+](Cc2cccc3cnccc32)Cc2nnn(CC3CC3)c21 ZINC001140141292 1026914674 /nfs/dbraw/zinc/91/46/74/1026914674.db2.gz LXYVTZBBAHZRMB-FQEVSTJZSA-N 1 2 389.503 3.538 20 30 GHEDLO C=CCOC[C@@H]1C[N@@H+](Cc2cccc3cnccc32)Cc2nnn(CC3CC3)c21 ZINC001140141292 1026914675 /nfs/dbraw/zinc/91/46/75/1026914675.db2.gz LXYVTZBBAHZRMB-FQEVSTJZSA-N 1 2 389.503 3.538 20 30 GHEDLO Cc1nc(N2CCCN(c3ccc(C#N)cn3)CC2)cc(C2CCCCC2)[nH+]1 ZINC001166843452 1027107196 /nfs/dbraw/zinc/10/71/96/1027107196.db2.gz AHTZHLBBKFHAOC-UHFFFAOYSA-N 1 2 376.508 3.816 20 30 GHEDLO N#Cc1cc(Br)ccc1CN1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001141818393 1027355649 /nfs/dbraw/zinc/35/56/49/1027355649.db2.gz AKOVABHWIONCBG-MRXNPFEDSA-N 1 2 384.268 3.626 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(Nc3ccc(O)c(C#N)c3)c[nH+]2)C1 ZINC001210531282 1027546000 /nfs/dbraw/zinc/54/60/00/1027546000.db2.gz WJIRQUJURAXYOK-QGZVFWFLSA-N 1 2 395.463 3.506 20 30 GHEDLO N#Cc1cccc(C[N@@H+]2CCc3c(c(COc4cccnc4)nn3CC3CC3)C2)c1 ZINC001203758184 1027581527 /nfs/dbraw/zinc/58/15/27/1027581527.db2.gz SXHLNQDYGJVMJW-UHFFFAOYSA-N 1 2 399.498 3.697 20 30 GHEDLO N#Cc1cccc(C[N@H+]2CCc3c(c(COc4cccnc4)nn3CC3CC3)C2)c1 ZINC001203758184 1027581535 /nfs/dbraw/zinc/58/15/35/1027581535.db2.gz SXHLNQDYGJVMJW-UHFFFAOYSA-N 1 2 399.498 3.697 20 30 GHEDLO N#Cc1cccc(C[N@H+]2Cc3c(cnn3CC3CC3)[C@H](COCC3CC3)C2)c1 ZINC001203762280 1027583929 /nfs/dbraw/zinc/58/39/29/1027583929.db2.gz NOVOLKAXDXJJDQ-NRFANRHFSA-N 1 2 376.504 3.691 20 30 GHEDLO N#Cc1cccc(C[N@@H+]2Cc3c(cnn3CC3CC3)[C@H](COCC3CC3)C2)c1 ZINC001203762280 1027583935 /nfs/dbraw/zinc/58/39/35/1027583935.db2.gz NOVOLKAXDXJJDQ-NRFANRHFSA-N 1 2 376.504 3.691 20 30 GHEDLO N#Cc1ccc(Br)cc1C[N@@H+]1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC001141901004 1027623124 /nfs/dbraw/zinc/62/31/24/1027623124.db2.gz NKEOUDGQMRJAIT-INIZCTEOSA-N 1 2 390.325 3.545 20 30 GHEDLO N#Cc1ccc(Br)cc1C[N@H+]1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC001141901004 1027623131 /nfs/dbraw/zinc/62/31/31/1027623131.db2.gz NKEOUDGQMRJAIT-INIZCTEOSA-N 1 2 390.325 3.545 20 30 GHEDLO COC(=O)C1(C#N)CC[NH+](Cc2cccc(Oc3ccc(OC)cc3)c2)CC1 ZINC001203820942 1027634615 /nfs/dbraw/zinc/63/46/15/1027634615.db2.gz WIBZOQHDAJLXCQ-UHFFFAOYSA-N 1 2 380.444 3.766 20 30 GHEDLO CSc1nc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N(C(=O)OC(C)(C)C)C3)ccc1C#N ZINC001141944020 1027721669 /nfs/dbraw/zinc/72/16/69/1027721669.db2.gz UMGIDZXXINTEDZ-PBHICJAKSA-N 1 2 388.537 3.506 20 30 GHEDLO CSc1nc(C[N@H+]2C[C@H]3CC[C@@H](C2)N(C(=O)OC(C)(C)C)C3)ccc1C#N ZINC001141944020 1027721684 /nfs/dbraw/zinc/72/16/84/1027721684.db2.gz UMGIDZXXINTEDZ-PBHICJAKSA-N 1 2 388.537 3.506 20 30 GHEDLO C#CCOc1cccc(Cl)c1CNc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC001461462493 1069560613 /nfs/dbraw/zinc/56/06/13/1069560613.db2.gz SQQIZKHSZYSGTD-HOTGVXAUSA-N 1 2 385.895 3.973 20 30 GHEDLO C#CC[C@@H]1CCC[N@@H+](Cn2nc(COc3ccccc3Cl)n(C)c2=S)C1 ZINC000842628256 1029430628 /nfs/dbraw/zinc/43/06/28/1029430628.db2.gz VWDKBSMLXZTRPD-OAHLLOKOSA-N 1 2 390.940 3.876 20 30 GHEDLO C#CC[C@@H]1CCC[N@H+](Cn2nc(COc3ccccc3Cl)n(C)c2=S)C1 ZINC000842628256 1029430641 /nfs/dbraw/zinc/43/06/41/1029430641.db2.gz VWDKBSMLXZTRPD-OAHLLOKOSA-N 1 2 390.940 3.876 20 30 GHEDLO C=CC[NH+]1CCN(C(=O)c2cc3cc(Br)c(Cl)cc3[nH]2)CC1 ZINC001152732247 1031339704 /nfs/dbraw/zinc/33/97/04/1031339704.db2.gz RFMSAACUANQPHB-UHFFFAOYSA-N 1 2 382.689 3.528 20 30 GHEDLO Cc1cc(O)cc(O[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1Br ZINC001225386510 1031375077 /nfs/dbraw/zinc/37/50/77/1031375077.db2.gz YMNHGERELJJYIR-QGZVFWFLSA-N 1 2 387.277 3.988 20 30 GHEDLO Cc1cc(O)cc(O[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c1Br ZINC001225386510 1031375098 /nfs/dbraw/zinc/37/50/98/1031375098.db2.gz YMNHGERELJJYIR-QGZVFWFLSA-N 1 2 387.277 3.988 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2ncc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001225846967 1031648650 /nfs/dbraw/zinc/64/86/50/1031648650.db2.gz LYWQUKJJPCMYGN-HNNXBMFYSA-N 1 2 392.337 3.534 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2ncc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001225846967 1031648654 /nfs/dbraw/zinc/64/86/54/1031648654.db2.gz LYWQUKJJPCMYGN-HNNXBMFYSA-N 1 2 392.337 3.534 20 30 GHEDLO N#Cc1ccc(Br)c(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC001229230822 1033355707 /nfs/dbraw/zinc/35/57/07/1033355707.db2.gz QKVVRTDAVZAEAE-KRWDZBQOSA-N 1 2 387.277 3.601 20 30 GHEDLO N#Cc1ccc(Br)c(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC001229230822 1033355709 /nfs/dbraw/zinc/35/57/09/1033355709.db2.gz QKVVRTDAVZAEAE-KRWDZBQOSA-N 1 2 387.277 3.601 20 30 GHEDLO C#C[C@@H](NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1)c1ccc(Cl)cc1F ZINC001157508167 1033626265 /nfs/dbraw/zinc/62/62/65/1033626265.db2.gz LNWNIOGGRBGBFS-HXUWFJFHSA-N 1 2 396.853 3.892 20 30 GHEDLO Cc1nc(OC2CN(Cc3ccccc3)C2)c(C#N)cc1-c1ccc2[nH+]ccn2c1 ZINC001229766091 1033697777 /nfs/dbraw/zinc/69/77/77/1033697777.db2.gz JAZASZCXYRTYRP-UHFFFAOYSA-N 1 2 395.466 3.840 20 30 GHEDLO COC(=O)[C@@H]1CCC[C@H](Oc2nc(C)c(-c3ccc4[nH+]ccn4c3)cc2C#N)C1 ZINC001229768969 1033699531 /nfs/dbraw/zinc/69/95/31/1033699531.db2.gz PNDFLZDQSLXTRM-QAPCUYQASA-N 1 2 390.443 3.687 20 30 GHEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cc(C)c(Cl)cc1Cl)C2 ZINC001277443637 1033883452 /nfs/dbraw/zinc/88/34/52/1033883452.db2.gz RLYIMXSOMPXUET-IBGZPJMESA-N 1 2 383.319 3.539 20 30 GHEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc(C)c(Cl)cc1Cl)C2 ZINC001277443637 1033883463 /nfs/dbraw/zinc/88/34/63/1033883463.db2.gz RLYIMXSOMPXUET-IBGZPJMESA-N 1 2 383.319 3.539 20 30 GHEDLO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)NCCc1cn2ccccc2[nH+]1 ZINC001158142210 1033933884 /nfs/dbraw/zinc/93/38/84/1033933884.db2.gz HRRXMTKBGOUQOM-UHFFFAOYSA-N 1 2 382.201 3.789 20 30 GHEDLO O[C@]1(C(F)(F)F)CC[N@H+](Cc2c(F)cccc2OC(F)F)CC[C@@H]1F ZINC001207112271 1034099205 /nfs/dbraw/zinc/09/92/05/1034099205.db2.gz YIGOJUVRMZBMBE-GXTWGEPZSA-N 1 2 375.284 3.654 20 30 GHEDLO O[C@]1(C(F)(F)F)CC[N@@H+](Cc2c(F)cccc2OC(F)F)CC[C@@H]1F ZINC001207112271 1034099219 /nfs/dbraw/zinc/09/92/19/1034099219.db2.gz YIGOJUVRMZBMBE-GXTWGEPZSA-N 1 2 375.284 3.654 20 30 GHEDLO C=CCC[C@@H](NC(=O)N[C@@H]1Cc2c[nH+]cn2C1)c1ccc(C(F)(F)F)cc1 ZINC001230693847 1034184416 /nfs/dbraw/zinc/18/44/16/1034184416.db2.gz MLJLRRMWKRUTKU-NVXWUHKLSA-N 1 2 378.398 3.833 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2ccc(C(=O)c3ccncc3)cc2)C1 ZINC001231021481 1034347303 /nfs/dbraw/zinc/34/73/03/1034347303.db2.gz WXETVCWYNILUCJ-QHCPKHFHSA-N 1 2 383.451 3.838 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2ccc(C(=O)c3ccncc3)cc2)C1 ZINC001231021481 1034347314 /nfs/dbraw/zinc/34/73/14/1034347314.db2.gz WXETVCWYNILUCJ-QHCPKHFHSA-N 1 2 383.451 3.838 20 30 GHEDLO N#Cc1cccc2c(O[C@@H]3CCC[N@@H+](Cc4cnc(Cl)s4)C3)ncnc12 ZINC001231042038 1034359607 /nfs/dbraw/zinc/35/96/07/1034359607.db2.gz ZFCOTBUWPJBCBX-CYBMUJFWSA-N 1 2 385.880 3.655 20 30 GHEDLO N#Cc1cccc2c(O[C@@H]3CCC[N@H+](Cc4cnc(Cl)s4)C3)ncnc12 ZINC001231042038 1034359619 /nfs/dbraw/zinc/35/96/19/1034359619.db2.gz ZFCOTBUWPJBCBX-CYBMUJFWSA-N 1 2 385.880 3.655 20 30 GHEDLO C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1cnc(Cl)c(C(F)(F)F)c1)CC2 ZINC001277523921 1034632455 /nfs/dbraw/zinc/63/24/55/1034632455.db2.gz XPTZKRSASNDBSM-CQSZACIVSA-N 1 2 387.833 3.658 20 30 GHEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2ccc(OC(F)(F)C(F)F)cc2)CC1 ZINC001231825781 1034930767 /nfs/dbraw/zinc/93/07/67/1034930767.db2.gz ARBHSTPZSJBRNN-UHFFFAOYSA-N 1 2 388.361 3.592 20 30 GHEDLO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ncc(Br)cc1F)CC2 ZINC001231986511 1035024974 /nfs/dbraw/zinc/02/49/74/1035024974.db2.gz BVZLFTXCEIELKG-GOSISDBHSA-N 1 2 396.304 3.516 20 30 GHEDLO C=CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1ncc(Br)cc1F)CC2 ZINC001231986511 1035024983 /nfs/dbraw/zinc/02/49/83/1035024983.db2.gz BVZLFTXCEIELKG-GOSISDBHSA-N 1 2 396.304 3.516 20 30 GHEDLO C#CCOCCOCCNc1cc(-c2ccccc2)c2ccc(OC)cc2[nH+]1 ZINC001160670964 1035030874 /nfs/dbraw/zinc/03/08/74/1035030874.db2.gz BMFPBBOIOCGATD-UHFFFAOYSA-N 1 2 376.456 3.989 20 30 GHEDLO C#C[C@H](NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC001160816871 1035071746 /nfs/dbraw/zinc/07/17/46/1035071746.db2.gz TYWDADLRKIZEHH-FQEVSTJZSA-N 1 2 378.863 3.753 20 30 GHEDLO COCCOc1cccc(N2CC[NH+](Cc3ccc(C#N)c(Cl)c3)CC2)c1 ZINC001232116046 1035104801 /nfs/dbraw/zinc/10/48/01/1035104801.db2.gz FTUIGYOPZYAZMS-UHFFFAOYSA-N 1 2 385.895 3.559 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(-c4ncccn4)cc3)CC2)cc1Cl ZINC001232118185 1035105326 /nfs/dbraw/zinc/10/53/26/1035105326.db2.gz KXGMPAUHCPRFDJ-UHFFFAOYSA-N 1 2 389.890 3.991 20 30 GHEDLO CCOC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2CC)Cc2ncn(CC3CC3)c21 ZINC001248749909 1036106864 /nfs/dbraw/zinc/10/68/64/1036106864.db2.gz PWDYXCMLGPZQRT-NRFANRHFSA-N 1 2 378.520 3.863 20 30 GHEDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2CC)Cc2ncn(CC3CC3)c21 ZINC001248749909 1036106867 /nfs/dbraw/zinc/10/68/67/1036106867.db2.gz PWDYXCMLGPZQRT-NRFANRHFSA-N 1 2 378.520 3.863 20 30 GHEDLO COC(=O)c1cccc(C[NH+]2CCC(C#N)(c3ccccc3F)CC2)c1OC ZINC001248933072 1036249600 /nfs/dbraw/zinc/24/96/00/1036249600.db2.gz NIHBPGLZRDJXTB-UHFFFAOYSA-N 1 2 382.435 3.678 20 30 GHEDLO Cc1sc(C[N@@H+]2CCC[C@]23CCN(CCCC#N)C3=O)cc1Br ZINC001277680575 1038322123 /nfs/dbraw/zinc/32/21/23/1038322123.db2.gz ZWAQDZLIASEMPZ-QGZVFWFLSA-N 1 2 396.354 3.690 20 30 GHEDLO Cc1sc(C[N@H+]2CCC[C@]23CCN(CCCC#N)C3=O)cc1Br ZINC001277680575 1038322134 /nfs/dbraw/zinc/32/21/34/1038322134.db2.gz ZWAQDZLIASEMPZ-QGZVFWFLSA-N 1 2 396.354 3.690 20 30 GHEDLO C[C@@H](OC(C)(C)C)[C@@H]([NH3+])c1nc(-c2ccc(Br)cc2C#N)no1 ZINC001247703503 1038342257 /nfs/dbraw/zinc/34/22/57/1038342257.db2.gz PRDZTQWWZQROKN-NOZJJQNGSA-N 1 2 379.258 3.574 20 30 GHEDLO N#Cc1cccc(N2CC[NH+](Cc3cc(OCc4ccccc4)ccn3)CC2)c1 ZINC001232589038 1038359979 /nfs/dbraw/zinc/35/99/79/1038359979.db2.gz GEKWIQIJILNUGB-UHFFFAOYSA-N 1 2 384.483 3.854 20 30 GHEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc(OCc3ccccc3)ccn2)C1 ZINC001232592315 1038365765 /nfs/dbraw/zinc/36/57/65/1038365765.db2.gz OSXRFEYHPQFQQC-LJQANCHMSA-N 1 2 381.476 3.537 20 30 GHEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(OCc3ccccc3)ccn2)C1 ZINC001232592315 1038365784 /nfs/dbraw/zinc/36/57/84/1038365784.db2.gz OSXRFEYHPQFQQC-LJQANCHMSA-N 1 2 381.476 3.537 20 30 GHEDLO O[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(C(F)(F)F)nc2Cl)CC[C@H]1F ZINC001232791723 1038559168 /nfs/dbraw/zinc/55/91/68/1038559168.db2.gz WPPROKGXPFVDCK-SKDRFNHKSA-N 1 2 394.718 3.981 20 30 GHEDLO O[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C(F)(F)F)nc2Cl)CC[C@H]1F ZINC001232791723 1038559176 /nfs/dbraw/zinc/55/91/76/1038559176.db2.gz WPPROKGXPFVDCK-SKDRFNHKSA-N 1 2 394.718 3.981 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCO[C@]3(CCC[C@H]3COCc3ccccn3)C2)s1 ZINC001232843282 1038594908 /nfs/dbraw/zinc/59/49/08/1038594908.db2.gz VAYUJTVAKGTELI-LAUBAEHRSA-N 1 2 383.517 3.603 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCO[C@]3(CCC[C@H]3COCc3ccccn3)C2)s1 ZINC001232843282 1038594910 /nfs/dbraw/zinc/59/49/10/1038594910.db2.gz VAYUJTVAKGTELI-LAUBAEHRSA-N 1 2 383.517 3.603 20 30 GHEDLO CC(C)(C)CC(=O)NC1CC[NH+](Cc2ccc(Br)c(C#N)c2)CC1 ZINC001232897859 1038694022 /nfs/dbraw/zinc/69/40/22/1038694022.db2.gz OPCVBWJOPMQWRZ-UHFFFAOYSA-N 1 2 392.341 3.838 20 30 GHEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2cc(F)c(C)cc2Br)C1=O ZINC001277734090 1038709281 /nfs/dbraw/zinc/70/92/81/1038709281.db2.gz SVVLPGPPTWFYKL-GOSISDBHSA-N 1 2 381.289 3.650 20 30 GHEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2cc(F)c(C)cc2Br)C1=O ZINC001277734090 1038709286 /nfs/dbraw/zinc/70/92/86/1038709286.db2.gz SVVLPGPPTWFYKL-GOSISDBHSA-N 1 2 381.289 3.650 20 30 GHEDLO Cc1cc(C#N)ccc1C[N@@H+]1Cc2ncn(C)c2[C@H](COCC2CCCC2)C1 ZINC001233079481 1038845817 /nfs/dbraw/zinc/84/58/17/1038845817.db2.gz FDNGTTRVNSWZQP-NRFANRHFSA-N 1 2 378.520 3.906 20 30 GHEDLO Cc1cc(C#N)ccc1C[N@H+]1Cc2ncn(C)c2[C@H](COCC2CCCC2)C1 ZINC001233079481 1038845850 /nfs/dbraw/zinc/84/58/50/1038845850.db2.gz FDNGTTRVNSWZQP-NRFANRHFSA-N 1 2 378.520 3.906 20 30 GHEDLO CN(C)c1ccc(C[NH+]2CCN(c3nccc4ccccc43)CC2)c(F)c1C#N ZINC001233101276 1038880554 /nfs/dbraw/zinc/88/05/54/1038880554.db2.gz VEAGPSOHSJLBSG-UHFFFAOYSA-N 1 2 389.478 3.634 20 30 GHEDLO C=CCC[C@@H](O)C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccc(F)cc1 ZINC001252602147 1039045123 /nfs/dbraw/zinc/04/51/23/1039045123.db2.gz NKRRFMHPVFBPKH-MOPGFXCFSA-N 1 2 378.488 3.747 20 30 GHEDLO C=CCC[C@@H](O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccc(F)cc1 ZINC001252602147 1039045143 /nfs/dbraw/zinc/04/51/43/1039045143.db2.gz NKRRFMHPVFBPKH-MOPGFXCFSA-N 1 2 378.488 3.747 20 30 GHEDLO CCCCCCCCCC[C@@H](O)C[N@H+]1Cc2nnn(C)c2[C@@H](COCC)C1 ZINC001252984096 1039312910 /nfs/dbraw/zinc/31/29/10/1039312910.db2.gz CYMAKMHONQWQOP-RTBURBONSA-N 1 2 380.577 3.643 20 30 GHEDLO CCCCCCCCCC[C@@H](O)C[N@@H+]1Cc2nnn(C)c2[C@@H](COCC)C1 ZINC001252984096 1039312928 /nfs/dbraw/zinc/31/29/28/1039312928.db2.gz CYMAKMHONQWQOP-RTBURBONSA-N 1 2 380.577 3.643 20 30 GHEDLO C[C@H](Oc1ncc(C(F)(F)F)cc1C#N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001233505929 1039396518 /nfs/dbraw/zinc/39/65/18/1039396518.db2.gz ACLVAZFKWUPCGL-KSSFIOAISA-N 1 2 391.393 3.640 20 30 GHEDLO C[C@H](Oc1ncc(C(F)(F)F)cc1C#N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001233505929 1039396531 /nfs/dbraw/zinc/39/65/31/1039396531.db2.gz ACLVAZFKWUPCGL-KSSFIOAISA-N 1 2 391.393 3.640 20 30 GHEDLO COC(=O)C1=C[C@H](Oc2c(Cl)cccc2C#N)C[N@H+](Cc2ccccc2)C1 ZINC001233549013 1039431397 /nfs/dbraw/zinc/43/13/97/1039431397.db2.gz ASVYVBAIOIETQN-SFHVURJKSA-N 1 2 382.847 3.574 20 30 GHEDLO COC(=O)C1=C[C@H](Oc2c(Cl)cccc2C#N)C[N@@H+](Cc2ccccc2)C1 ZINC001233549013 1039431402 /nfs/dbraw/zinc/43/14/02/1039431402.db2.gz ASVYVBAIOIETQN-SFHVURJKSA-N 1 2 382.847 3.574 20 30 GHEDLO C=CCCCCCC[C@@H](O)CNc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001253245102 1039502040 /nfs/dbraw/zinc/50/20/40/1039502040.db2.gz ZHVXIOAYSQWLSM-OAQYLSRUSA-N 1 2 376.541 3.697 20 30 GHEDLO COc1c2ccccc2nc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c1CC=C(C)C ZINC001234736679 1040263225 /nfs/dbraw/zinc/26/32/25/1040263225.db2.gz DEGPOYCLJLPRQF-PCCAXSBCSA-N 1 2 380.488 3.743 20 30 GHEDLO COc1c2ccccc2nc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c1CC=C(C)C ZINC001234736679 1040263240 /nfs/dbraw/zinc/26/32/40/1040263240.db2.gz DEGPOYCLJLPRQF-PCCAXSBCSA-N 1 2 380.488 3.743 20 30 GHEDLO C=CCOC(=O)[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255702539 1041224103 /nfs/dbraw/zinc/22/41/03/1041224103.db2.gz ZLKMEWUAAARGCK-RDBSUJKOSA-N 1 2 379.419 3.527 20 30 GHEDLO N#CCCCN1CC[C@@]2(CCC[N@H+]2Cc2c(O)ccc(Cl)c2Cl)C1=O ZINC001277992196 1041798652 /nfs/dbraw/zinc/79/86/52/1041798652.db2.gz FAAHMUOBSIEKMB-SFHVURJKSA-N 1 2 382.291 3.570 20 30 GHEDLO CN(C)c1ccc(Br)cc1C[NH+]1CCN(c2cccc(C#N)c2)CC1 ZINC001236706967 1041844904 /nfs/dbraw/zinc/84/49/04/1041844904.db2.gz GLDPNDWXGOAVRH-UHFFFAOYSA-N 1 2 399.336 3.709 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1ccccc1NC(=O)C(C)(C)C ZINC001237395753 1042188323 /nfs/dbraw/zinc/18/83/23/1042188323.db2.gz GRRCAEDULLICFB-HXUWFJFHSA-N 1 2 396.535 3.707 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccccc1NC(=O)C(C)(C)C ZINC001237395753 1042188327 /nfs/dbraw/zinc/18/83/27/1042188327.db2.gz GRRCAEDULLICFB-HXUWFJFHSA-N 1 2 396.535 3.707 20 30 GHEDLO CC(C)COC[C@@H]1C[N@H+](Cc2cn(C)c3ccc(C#N)cc23)Cc2ncn(C)c21 ZINC001237469470 1042222044 /nfs/dbraw/zinc/22/20/44/1042222044.db2.gz VQKCIMXETBFFBZ-IBGZPJMESA-N 1 2 391.519 3.555 20 30 GHEDLO CC(C)COC[C@@H]1C[N@@H+](Cc2cn(C)c3ccc(C#N)cc23)Cc2ncn(C)c21 ZINC001237469470 1042222049 /nfs/dbraw/zinc/22/20/49/1042222049.db2.gz VQKCIMXETBFFBZ-IBGZPJMESA-N 1 2 391.519 3.555 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1c(Cl)c2ccccc2[nH]c1=O ZINC001237498241 1042236909 /nfs/dbraw/zinc/23/69/09/1042236909.db2.gz VDIAOFGHQMSCFF-SFHVURJKSA-N 1 2 398.894 3.629 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1c(Cl)c2ccccc2[nH]c1=O ZINC001237498241 1042236912 /nfs/dbraw/zinc/23/69/12/1042236912.db2.gz VDIAOFGHQMSCFF-SFHVURJKSA-N 1 2 398.894 3.629 20 30 GHEDLO C=CCC1(O)CC[NH+](Cc2nc(N(C)C)n(-c3ccc(C)cc3)c2Cl)CC1 ZINC001462598804 1070403305 /nfs/dbraw/zinc/40/33/05/1070403305.db2.gz XPCUWDYASDETJM-UHFFFAOYSA-N 1 2 388.943 3.803 20 30 GHEDLO CCC[N@H+](Cc1cn2cc(C#N)ccc2n1)[C@H](C)C(=O)Nc1ccccc1C ZINC001237616692 1042283153 /nfs/dbraw/zinc/28/31/53/1042283153.db2.gz FHVCYLAHFBERDY-QGZVFWFLSA-N 1 2 375.476 3.754 20 30 GHEDLO CCC[N@@H+](Cc1cn2cc(C#N)ccc2n1)[C@H](C)C(=O)Nc1ccccc1C ZINC001237616692 1042283159 /nfs/dbraw/zinc/28/31/59/1042283159.db2.gz FHVCYLAHFBERDY-QGZVFWFLSA-N 1 2 375.476 3.754 20 30 GHEDLO N#Cc1cccc(N2C[C@@]3(CC[N@@H+](Cc4cc(F)cc(Cl)c4O)C3)CC2=O)c1 ZINC001237813142 1042382176 /nfs/dbraw/zinc/38/21/76/1042382176.db2.gz KUNBOPOQMUPDLK-NRFANRHFSA-N 1 2 399.853 3.685 20 30 GHEDLO N#Cc1cccc(N2C[C@@]3(CC[N@H+](Cc4cc(F)cc(Cl)c4O)C3)CC2=O)c1 ZINC001237813142 1042382181 /nfs/dbraw/zinc/38/21/81/1042382181.db2.gz KUNBOPOQMUPDLK-NRFANRHFSA-N 1 2 399.853 3.685 20 30 GHEDLO N#Cc1cc(C[N@H+]2Cc3cncn3C[C@@H](COc3ccccn3)C2)ccc1Cl ZINC001238194669 1042516130 /nfs/dbraw/zinc/51/61/30/1042516130.db2.gz QTNQKWGGRNQZFL-KRWDZBQOSA-N 1 2 393.878 3.514 20 30 GHEDLO N#Cc1cc(C[N@@H+]2Cc3cncn3C[C@@H](COc3ccccn3)C2)ccc1Cl ZINC001238194669 1042516131 /nfs/dbraw/zinc/51/61/31/1042516131.db2.gz QTNQKWGGRNQZFL-KRWDZBQOSA-N 1 2 393.878 3.514 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(F)c(-c2ccncc2)c1 ZINC001238553947 1042637805 /nfs/dbraw/zinc/63/78/05/1042637805.db2.gz BROPHQQJBLCJQK-JOCHJYFZSA-N 1 2 392.478 3.923 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(F)c(-c2ccncc2)c1 ZINC001238553947 1042637806 /nfs/dbraw/zinc/63/78/06/1042637806.db2.gz BROPHQQJBLCJQK-JOCHJYFZSA-N 1 2 392.478 3.923 20 30 GHEDLO N#Cc1ccnc(N2CC[NH+](Cc3cc(-c4ccccc4)ncc3Cl)CC2)c1 ZINC001238625820 1042663154 /nfs/dbraw/zinc/66/31/54/1042663154.db2.gz JZADOTKYDFEVFM-UHFFFAOYSA-N 1 2 389.890 3.991 20 30 GHEDLO N#Cc1ccc(C2CCC([N@H+]3CCn4c(nnc4C(F)(F)F)C3)CC2)cc1 ZINC001257016358 1043801210 /nfs/dbraw/zinc/80/12/10/1043801210.db2.gz AVOAXDDSNYBJIT-UHFFFAOYSA-N 1 2 375.398 3.711 20 30 GHEDLO N#Cc1ccc(C2CCC([N@@H+]3CCn4c(nnc4C(F)(F)F)C3)CC2)cc1 ZINC001257016358 1043801231 /nfs/dbraw/zinc/80/12/31/1043801231.db2.gz AVOAXDDSNYBJIT-UHFFFAOYSA-N 1 2 375.398 3.711 20 30 GHEDLO C[C@H](C#N)CN(C)c1nnc(C2CCCC2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001301966238 1046764934 /nfs/dbraw/zinc/76/49/34/1046764934.db2.gz SUILDWMEOAXGEL-QGZVFWFLSA-N 1 2 393.539 3.575 20 30 GHEDLO C[C@H]1CN(c2nnc(C3CC[NH+](CCC#N)CC3)n2Cc2cccs2)C[C@H]1C ZINC001263489238 1046888877 /nfs/dbraw/zinc/88/88/77/1046888877.db2.gz KNJPPPULULEQCW-CALCHBBNSA-N 1 2 398.580 3.573 20 30 GHEDLO C#CCN(CC)c1nnc(-c2c[nH]c3ccccc23)n1CCCNc1cccc[nH+]1 ZINC001286442833 1048325643 /nfs/dbraw/zinc/32/56/43/1048325643.db2.gz ODSCJPPYKUTPIE-UHFFFAOYSA-N 1 2 399.502 3.783 20 30 GHEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3c(C)cc(C#N)cc3C)CC2)c1 ZINC001306541913 1048724207 /nfs/dbraw/zinc/72/42/07/1048724207.db2.gz INSAXYIHLVUJIO-SFHVURJKSA-N 1 2 377.488 3.703 20 30 GHEDLO N#Cc1csc(C[N@H+]2CCC[C@@H]([C@@H](O)c3ccc(Br)cc3)C2)n1 ZINC001307810304 1049608012 /nfs/dbraw/zinc/60/80/12/1049608012.db2.gz BKDANPBXLWBYEF-DYVFJYSZSA-N 1 2 392.322 3.723 20 30 GHEDLO N#Cc1csc(C[N@@H+]2CCC[C@@H]([C@@H](O)c3ccc(Br)cc3)C2)n1 ZINC001307810304 1049608017 /nfs/dbraw/zinc/60/80/17/1049608017.db2.gz BKDANPBXLWBYEF-DYVFJYSZSA-N 1 2 392.322 3.723 20 30 GHEDLO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC001307859347 1049642306 /nfs/dbraw/zinc/64/23/06/1049642306.db2.gz XJWOHAROIDHRLA-HIFRSBDPSA-N 1 2 391.899 3.592 20 30 GHEDLO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC001307859347 1049642321 /nfs/dbraw/zinc/64/23/21/1049642321.db2.gz XJWOHAROIDHRLA-HIFRSBDPSA-N 1 2 391.899 3.592 20 30 GHEDLO Cc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CCCc2cccc(C)[nH+]2)o1 ZINC001290007283 1049708048 /nfs/dbraw/zinc/70/80/48/1049708048.db2.gz FTYXAAVLNFZODZ-UHFFFAOYSA-N 1 2 390.491 3.923 20 30 GHEDLO N#Cc1ccccc1NC1CC[NH+](Cc2nc(-c3ccc(F)c(F)c3)no2)CC1 ZINC001307968652 1049728155 /nfs/dbraw/zinc/72/81/55/1049728155.db2.gz XFGKEKBLFPAXIF-UHFFFAOYSA-N 1 2 395.413 3.963 20 30 GHEDLO C=CCn1c(=S)n(C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)nc1-c1cccnc1 ZINC001330058529 1050948495 /nfs/dbraw/zinc/94/84/95/1050948495.db2.gz BSEXACKRLKNCDP-MOPGFXCFSA-N 1 2 399.564 3.901 20 30 GHEDLO C=CCn1c(=S)n(C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)nc1-c1cccnc1 ZINC001330058529 1050948500 /nfs/dbraw/zinc/94/85/00/1050948500.db2.gz BSEXACKRLKNCDP-MOPGFXCFSA-N 1 2 399.564 3.901 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC([C@H]2CCCCO2)CC1 ZINC001342330514 1053111056 /nfs/dbraw/zinc/11/10/56/1053111056.db2.gz UMPHJDRRSPIWQE-WOJBJXKFSA-N 1 2 387.572 3.797 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC([C@H]2CCCCO2)CC1 ZINC001342330514 1053111063 /nfs/dbraw/zinc/11/10/63/1053111063.db2.gz UMPHJDRRSPIWQE-WOJBJXKFSA-N 1 2 387.572 3.797 20 30 GHEDLO COc1cc[nH+]cc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCCC1(C)C ZINC001315670279 1053907973 /nfs/dbraw/zinc/90/79/73/1053907973.db2.gz WHHFTMOPSMWGEV-UHFFFAOYSA-N 1 2 388.475 3.647 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@@H](Cc2nccs2)C1 ZINC001343927713 1054123650 /nfs/dbraw/zinc/12/36/50/1054123650.db2.gz JPPUWLRXDYTVIK-IRXDYDNUSA-N 1 2 386.569 3.537 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@H](Cc2nccs2)C1 ZINC001343927713 1054123657 /nfs/dbraw/zinc/12/36/57/1054123657.db2.gz JPPUWLRXDYTVIK-IRXDYDNUSA-N 1 2 386.569 3.537 20 30 GHEDLO CC(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)[C@H](C)c1ccco1 ZINC001345109621 1054905503 /nfs/dbraw/zinc/90/55/03/1054905503.db2.gz HXKXSIADWAJMDJ-QGZVFWFLSA-N 1 2 384.528 3.818 20 30 GHEDLO C=C(C)CN(Cc1ccccc1)c1nnc([C@@H]2CCC[N@H+]2C)n1C[C@H]1CCOC1 ZINC001345628390 1055170610 /nfs/dbraw/zinc/17/06/10/1055170610.db2.gz VQTDHKUJFBBIKC-RTWAWAEBSA-N 1 2 395.551 3.664 20 30 GHEDLO C=C(C)CN(Cc1ccccc1)c1nnc([C@@H]2CCC[N@@H+]2C)n1C[C@H]1CCOC1 ZINC001345628390 1055170627 /nfs/dbraw/zinc/17/06/27/1055170627.db2.gz VQTDHKUJFBBIKC-RTWAWAEBSA-N 1 2 395.551 3.664 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H]2CNc2cccc(C)n2)c1C#N ZINC001319782027 1055463685 /nfs/dbraw/zinc/46/36/85/1055463685.db2.gz OHOPIAVBNROQJK-FQEVSTJZSA-N 1 2 386.503 3.832 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H]2CNc2cccc(C)n2)c1C#N ZINC001319782027 1055463697 /nfs/dbraw/zinc/46/36/97/1055463697.db2.gz OHOPIAVBNROQJK-FQEVSTJZSA-N 1 2 386.503 3.832 20 30 GHEDLO CC[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC001320203691 1055704516 /nfs/dbraw/zinc/70/45/16/1055704516.db2.gz ZZGWANRNMRYLEX-NRFANRHFSA-N 1 2 380.467 3.676 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2C[C@H]2CCCCC(F)(F)C2)CC1 ZINC001300683482 1056862645 /nfs/dbraw/zinc/86/26/45/1056862645.db2.gz OKOSAYVOTVTDLB-MSOLQXFVSA-N 1 2 393.526 3.762 20 30 GHEDLO COc1cc[nH+]cc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(C)(C)C ZINC001300694457 1056897440 /nfs/dbraw/zinc/89/74/40/1056897440.db2.gz TXLRSXWTTGRQKJ-UHFFFAOYSA-N 1 2 390.491 3.751 20 30 GHEDLO FC(F)(F)Oc1ccc(C=NNCCCn2cc[nH+]c2)cc1Br ZINC000848417311 1057074899 /nfs/dbraw/zinc/07/48/99/1057074899.db2.gz UEPQSERDJORNLZ-UHFFFAOYSA-N 1 2 391.191 3.558 20 30 GHEDLO COC(=O)/C=C/c1ccc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)o1 ZINC000848908477 1057413320 /nfs/dbraw/zinc/41/33/20/1057413320.db2.gz VKYVHVSAZIOSCW-DUIUGDAFSA-N 1 2 399.878 3.502 20 30 GHEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCC[C@H]2CCC[C@@H]21 ZINC001357145238 1057616539 /nfs/dbraw/zinc/61/65/39/1057616539.db2.gz URELIPQFGDWQCX-ZRNYENFQSA-N 1 2 385.556 3.549 20 30 GHEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCC[C@H]2CCC[C@@H]21 ZINC001357145238 1057616547 /nfs/dbraw/zinc/61/65/47/1057616547.db2.gz URELIPQFGDWQCX-ZRNYENFQSA-N 1 2 385.556 3.549 20 30 GHEDLO C=CCn1c([C@@H]2C[C@H]2OC(C)(C)C)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001339139688 1058977260 /nfs/dbraw/zinc/97/72/60/1058977260.db2.gz IYRQJLXUGSZHST-QZTJIDSGSA-N 1 2 396.539 3.611 20 30 GHEDLO C=C[C@H](C(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC001443096072 1059062208 /nfs/dbraw/zinc/06/22/08/1059062208.db2.gz ZHLUUSNBZGCFSN-OFNKIYASSA-N 1 2 378.516 3.706 20 30 GHEDLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)C#Cc1cccs1 ZINC001446516782 1059787996 /nfs/dbraw/zinc/78/79/96/1059787996.db2.gz NVKUOGCZNWYJBR-UTKZUKDTSA-N 1 2 381.545 3.562 20 30 GHEDLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C#Cc1cccs1 ZINC001446516782 1059788017 /nfs/dbraw/zinc/78/80/17/1059788017.db2.gz NVKUOGCZNWYJBR-UTKZUKDTSA-N 1 2 381.545 3.562 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC2(CC2)c2ccccc21 ZINC001340491716 1059951305 /nfs/dbraw/zinc/95/13/05/1059951305.db2.gz KJTIXLHMTPCSFE-UHFFFAOYSA-N 1 2 388.519 3.740 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)Cc1cc2ccccc2[nH]1 ZINC001340909745 1060240255 /nfs/dbraw/zinc/24/02/55/1060240255.db2.gz JHGMSZOPDLHCKU-UHFFFAOYSA-N 1 2 391.523 3.509 20 30 GHEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@@H]1C1CCC1 ZINC001342004896 1060992368 /nfs/dbraw/zinc/99/23/68/1060992368.db2.gz HSPBAEQHPYSYGV-HXUWFJFHSA-N 1 2 382.556 3.716 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCO[C@H](c2ccccc2C)C1 ZINC001346188331 1061437383 /nfs/dbraw/zinc/43/73/83/1061437383.db2.gz XUGANQSFZCCSMO-UXHICEINSA-N 1 2 381.524 3.507 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCO[C@H](c2ccccc2C)C1 ZINC001346188331 1061437389 /nfs/dbraw/zinc/43/73/89/1061437389.db2.gz XUGANQSFZCCSMO-UXHICEINSA-N 1 2 381.524 3.507 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001346220555 1061460393 /nfs/dbraw/zinc/46/03/93/1061460393.db2.gz NXUFNWGPJXTLGH-WIYYLYMNSA-N 1 2 381.528 3.816 20 30 GHEDLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C#N)cc1F ZINC001435624385 1062789328 /nfs/dbraw/zinc/78/93/28/1062789328.db2.gz LJHPDFYIEBMNBK-OPAMFIHVSA-N 1 2 394.494 3.774 20 30 GHEDLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C#N)cc1F ZINC001435624385 1062789334 /nfs/dbraw/zinc/78/93/34/1062789334.db2.gz LJHPDFYIEBMNBK-OPAMFIHVSA-N 1 2 394.494 3.774 20 30 GHEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001348644646 1063257632 /nfs/dbraw/zinc/25/76/32/1063257632.db2.gz PAOVPHGAZSIPAD-AEFFLSMTSA-N 1 2 380.492 3.683 20 30 GHEDLO N#Cc1cc(Cl)cc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)c1 ZINC001459413680 1064090724 /nfs/dbraw/zinc/09/07/24/1064090724.db2.gz GSIQVFLSRQNZEG-UHFFFAOYSA-N 1 2 387.874 3.954 20 30 GHEDLO C=CCc1cc(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)cc(OC)c1OC ZINC001438863824 1064126509 /nfs/dbraw/zinc/12/65/09/1064126509.db2.gz UWZDJKGAFKYUNM-HXUWFJFHSA-N 1 2 391.471 3.800 20 30 GHEDLO C=CCc1cc(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)cc(OC)c1OC ZINC001438863823 1064126561 /nfs/dbraw/zinc/12/65/61/1064126561.db2.gz UWZDJKGAFKYUNM-FQEVSTJZSA-N 1 2 391.471 3.800 20 30 GHEDLO CCC[C@H]1CN(S(=O)(=O)c2cccc(C)c2C#N)CC[N@@H+]1Cc1ccccc1 ZINC001463410654 1064325178 /nfs/dbraw/zinc/32/51/78/1064325178.db2.gz MTLWBRLFUJMUNE-FQEVSTJZSA-N 1 2 397.544 3.542 20 30 GHEDLO CCC[C@H]1CN(S(=O)(=O)c2cccc(C)c2C#N)CC[N@H+]1Cc1ccccc1 ZINC001463410654 1064325197 /nfs/dbraw/zinc/32/51/97/1064325197.db2.gz MTLWBRLFUJMUNE-FQEVSTJZSA-N 1 2 397.544 3.542 20 30 GHEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC(C)(COC)CC1 ZINC001351948920 1064726428 /nfs/dbraw/zinc/72/64/28/1064726428.db2.gz LDIXGNSRUWNRKI-LJQANCHMSA-N 1 2 397.567 3.910 20 30 GHEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC(C)(COC)CC1 ZINC001351948920 1064726444 /nfs/dbraw/zinc/72/64/44/1064726444.db2.gz LDIXGNSRUWNRKI-LJQANCHMSA-N 1 2 397.567 3.910 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)[C@H](C)c1ccccc1C ZINC001352494004 1065079385 /nfs/dbraw/zinc/07/93/85/1065079385.db2.gz CTDXCGKXSPUPKL-GOSISDBHSA-N 1 2 380.540 3.897 20 30 GHEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC001465590972 1065733539 /nfs/dbraw/zinc/73/35/39/1065733539.db2.gz DFJABDIMUJKXBN-KRWDZBQOSA-N 1 2 394.475 3.535 20 30 GHEDLO CC(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@@H](C2CCC2)C1 ZINC001358096157 1067396954 /nfs/dbraw/zinc/39/69/54/1067396954.db2.gz CAJARNDEIPIKHY-HXUWFJFHSA-N 1 2 384.572 3.654 20 30 GHEDLO C#CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CCCc1cccc(C)[nH+]1 ZINC001358945775 1067626100 /nfs/dbraw/zinc/62/61/00/1067626100.db2.gz UFXGUWFMOHCCAR-UHFFFAOYSA-N 1 2 398.514 3.842 20 30 GHEDLO C#CCN(CC)c1nnc(Cc2ccsc2)n1CCCc1cccc(C)[nH+]1 ZINC001359012019 1067652882 /nfs/dbraw/zinc/65/28/82/1067652882.db2.gz VGZCGBFPTISWEI-UHFFFAOYSA-N 1 2 379.533 3.726 20 30 GHEDLO COc1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2cnn(CC(C)C)c2)cc1C#N ZINC000849478899 1067859953 /nfs/dbraw/zinc/85/99/53/1067859953.db2.gz KUPRTUXZXLBDTG-QFIPXVFZSA-N 1 2 394.519 3.773 20 30 GHEDLO COc1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]2c2cnn(CC(C)C)c2)cc1C#N ZINC000849478899 1067859959 /nfs/dbraw/zinc/85/99/59/1067859959.db2.gz KUPRTUXZXLBDTG-QFIPXVFZSA-N 1 2 394.519 3.773 20 30 GHEDLO CC[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(C)c(F)c1 ZINC001478338802 1078821447 /nfs/dbraw/zinc/82/14/47/1078821447.db2.gz BXFYWDJDGRZXIN-QFIPXVFZSA-N 1 2 394.494 3.984 20 30 GHEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1C ZINC001460613411 1069029381 /nfs/dbraw/zinc/02/93/81/1069029381.db2.gz XOCDDZBEDNERKE-KBXCAEBGSA-N 1 2 392.341 3.903 20 30 GHEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1c1ccc(Br)cc1C ZINC001460613411 1069029397 /nfs/dbraw/zinc/02/93/97/1069029397.db2.gz XOCDDZBEDNERKE-KBXCAEBGSA-N 1 2 392.341 3.903 20 30 GHEDLO C=CCC1(CNC(=O)NC[C@H]2C[N@H+](Cc3ccc(C)cc3)CCO2)CCCC1 ZINC001478629676 1078939745 /nfs/dbraw/zinc/93/97/45/1078939745.db2.gz QRHQYCCUEUPWCN-NRFANRHFSA-N 1 2 385.552 3.632 20 30 GHEDLO C=CCC1(CNC(=O)NC[C@H]2C[N@@H+](Cc3ccc(C)cc3)CCO2)CCCC1 ZINC001478629676 1078939753 /nfs/dbraw/zinc/93/97/53/1078939753.db2.gz QRHQYCCUEUPWCN-NRFANRHFSA-N 1 2 385.552 3.632 20 30 GHEDLO C#C[C@H](NC(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@H]1C)c1ccccc1 ZINC001470663412 1072675273 /nfs/dbraw/zinc/67/52/73/1072675273.db2.gz RQVHHMMPVDRSEV-KNQAVFIVSA-N 1 2 391.515 3.676 20 30 GHEDLO C#C[C@H](NC(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@H]1C)c1ccccc1 ZINC001470663412 1072675277 /nfs/dbraw/zinc/67/52/77/1072675277.db2.gz RQVHHMMPVDRSEV-KNQAVFIVSA-N 1 2 391.515 3.676 20 30 GHEDLO N#Cc1ccc(C2=CCN(C(=O)N[C@H](Cn3cc[nH+]c3)c3ccccc3)CC2)cc1 ZINC001471181503 1072956062 /nfs/dbraw/zinc/95/60/62/1072956062.db2.gz YPQUVKXCTBURRX-HSZRJFAPSA-N 1 2 397.482 3.995 20 30 GHEDLO C[N@@H+]1CCO[C@H]([C@@H](Nc2cc(C#N)sc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC001472746577 1073647669 /nfs/dbraw/zinc/64/76/69/1073647669.db2.gz AVZBVALDCKBNHJ-HOTGVXAUSA-N 1 2 392.868 3.665 20 30 GHEDLO C[N@H+]1CCO[C@H]([C@@H](Nc2cc(C#N)sc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC001472746577 1073647670 /nfs/dbraw/zinc/64/76/70/1073647670.db2.gz AVZBVALDCKBNHJ-HOTGVXAUSA-N 1 2 392.868 3.665 20 30 GHEDLO C#C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)c1ccc(Br)cc1 ZINC001474547284 1074458146 /nfs/dbraw/zinc/45/81/46/1074458146.db2.gz YAMVFDAYAILUPI-CQSZACIVSA-N 1 2 391.221 3.536 20 30 GHEDLO CC[C@@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001495090917 1079382002 /nfs/dbraw/zinc/38/20/02/1079382002.db2.gz YBIAVKYSRNTFGC-ZWKOTPCHSA-N 1 2 395.555 3.821 20 30 GHEDLO Cc1cc(N)cc(C)c1C=[NH+]Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000826269468 607783606 /nfs/dbraw/zinc/78/36/06/607783606.db2.gz NCTSEXKZUYDNMJ-UHFFFAOYSA-N 1 2 375.358 3.531 20 30 GHEDLO C[C@H](C#N)C[N@H+](Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1)C1CC1 ZINC000824035295 608742160 /nfs/dbraw/zinc/74/21/60/608742160.db2.gz WIYZLDAYYURQJQ-MRXNPFEDSA-N 1 2 388.475 3.570 20 30 GHEDLO C[C@H](C#N)C[N@@H+](Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1)C1CC1 ZINC000824035295 608742161 /nfs/dbraw/zinc/74/21/61/608742161.db2.gz WIYZLDAYYURQJQ-MRXNPFEDSA-N 1 2 388.475 3.570 20 30 GHEDLO Cc1ccc(S(=O)(=O)CCC[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000180610909 837388850 /nfs/dbraw/zinc/38/88/50/837388850.db2.gz JNVXHDYKVXILOW-UHFFFAOYSA-N 1 2 398.528 3.574 20 30 GHEDLO N#Cc1c(NC(=O)C[N@H+]2CCc3ccc(O)cc3CC2)sc2c1CCCCC2 ZINC000608866730 837689761 /nfs/dbraw/zinc/68/97/61/837689761.db2.gz ZGMPWQDGTMGTOE-UHFFFAOYSA-N 1 2 395.528 3.634 20 30 GHEDLO N#Cc1c(NC(=O)C[N@@H+]2CCc3ccc(O)cc3CC2)sc2c1CCCCC2 ZINC000608866730 837689767 /nfs/dbraw/zinc/68/97/67/837689767.db2.gz ZGMPWQDGTMGTOE-UHFFFAOYSA-N 1 2 395.528 3.634 20 30 GHEDLO Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023357685 834359406 /nfs/dbraw/zinc/35/94/06/834359406.db2.gz RCDCSOJRDQWDGS-KRWDZBQOSA-N 1 2 396.922 3.665 20 30 GHEDLO CC[C@H]1c2ccsc2CCN1C(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000548799220 834618045 /nfs/dbraw/zinc/61/80/45/834618045.db2.gz URJMAKXLULJWND-SFHVURJKSA-N 1 2 394.544 3.536 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000151255837 835319993 /nfs/dbraw/zinc/31/99/93/835319993.db2.gz KWBAWOLJDJNYFF-SJORKVTESA-N 1 2 395.532 3.583 20 30 GHEDLO Cc1[nH]c2ccc(NS(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)cc2[nH+]1 ZINC000536192972 835436504 /nfs/dbraw/zinc/43/65/04/835436504.db2.gz OZFXNYLPHWKUHQ-UHFFFAOYSA-N 1 2 380.351 3.563 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(NC(=O)c3ccccc3C)CC2)c1C ZINC000052746796 835457074 /nfs/dbraw/zinc/45/70/74/835457074.db2.gz DTXSSWYMCXDSAO-UHFFFAOYSA-N 1 2 393.531 3.676 20 30 GHEDLO Cn1cc([C@H]2CCN(C(=O)Nc3cccc(-c4[nH+]cc5n4CCCC5)c3)C2)cn1 ZINC000329633190 835477936 /nfs/dbraw/zinc/47/79/36/835477936.db2.gz SHEFGJXIWQFUMH-KRWDZBQOSA-N 1 2 390.491 3.655 20 30 GHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(Cc2cccc(OC)c2)CC1 ZINC000612123114 835553786 /nfs/dbraw/zinc/55/37/86/835553786.db2.gz KFKOPRHYECPMJH-JOCHJYFZSA-N 1 2 378.472 3.736 20 30 GHEDLO C[C@@]1(C#N)CCC[N@@H+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000612163305 835726673 /nfs/dbraw/zinc/72/66/73/835726673.db2.gz REORJILEYCYXFS-HKUYNNGSSA-N 1 2 379.426 3.822 20 30 GHEDLO C[C@@]1(C#N)CCC[N@H+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000612163305 835726675 /nfs/dbraw/zinc/72/66/75/835726675.db2.gz REORJILEYCYXFS-HKUYNNGSSA-N 1 2 379.426 3.822 20 30 GHEDLO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)cc1Br)c1nnc2ccccn21 ZINC000612463374 836271219 /nfs/dbraw/zinc/27/12/19/836271219.db2.gz XZUFCTNOFAQKQI-QGZVFWFLSA-N 1 2 384.281 3.850 20 30 GHEDLO N#CCc1cc[nH+]c(NCc2sc(N3CCOCC3)nc2-c2ccccc2)c1 ZINC000613443251 836394931 /nfs/dbraw/zinc/39/49/31/836394931.db2.gz KKKOCUCQFZAIAQ-UHFFFAOYSA-N 1 2 391.500 3.720 20 30 GHEDLO CCOCC[NH+]1CCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 ZINC000175617538 836799976 /nfs/dbraw/zinc/79/99/76/836799976.db2.gz YSBMGKVWMSGOSW-UHFFFAOYSA-N 1 2 395.528 3.504 20 30 GHEDLO C[C@@H](c1nnc(Sc2cc(C#N)ncn2)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000578480665 836964944 /nfs/dbraw/zinc/96/49/44/836964944.db2.gz QVHPIMNWFWWJDB-HNNXBMFYSA-N 1 2 391.504 3.627 20 30 GHEDLO N#CC1(F)CC[NH+](CC(=O)N(CCc2ccccc2)Cc2ccccc2)CC1 ZINC000510954401 844246227 /nfs/dbraw/zinc/24/62/27/844246227.db2.gz XDAXAAQSDPFGCY-UHFFFAOYSA-N 1 2 379.479 3.586 20 30 GHEDLO C#Cc1ccc(Nc2ccc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)[nH+]c2)cc1 ZINC001210114917 837315269 /nfs/dbraw/zinc/31/52/69/837315269.db2.gz GWGFNPIHDJRSLN-LJQANCHMSA-N 1 2 378.476 3.910 20 30 GHEDLO CC1CC[NH+](Cc2csc(NC(=O)CSc3cccc(C#N)c3)n2)CC1 ZINC000177360206 837931615 /nfs/dbraw/zinc/93/16/15/837931615.db2.gz GXSMYZRARRTZHG-UHFFFAOYSA-N 1 2 386.546 3.977 20 30 GHEDLO Cc1c(C#N)cccc1NC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000178545550 838398474 /nfs/dbraw/zinc/39/84/74/838398474.db2.gz GTEUWRDHYNLJMA-SFHVURJKSA-N 1 2 392.503 3.622 20 30 GHEDLO CC(C)Oc1ccc(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)cc1C#N ZINC000178992930 838509831 /nfs/dbraw/zinc/50/98/31/838509831.db2.gz FHURDOQIQNZDBR-UHFFFAOYSA-N 1 2 389.459 3.912 20 30 GHEDLO Cc1cccc(O[C@H](C)C(=O)N2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000584522601 838725652 /nfs/dbraw/zinc/72/56/52/838725652.db2.gz RDTGMQAYYZYMOG-RTBURBONSA-N 1 2 377.488 3.539 20 30 GHEDLO N#Cc1cc(Br)ccc1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001125420001 838843839 /nfs/dbraw/zinc/84/38/39/838843839.db2.gz BJVJVHQHMYGIJW-UHFFFAOYSA-N 1 2 399.223 3.576 20 30 GHEDLO C[C@@H](c1cccnc1)[NH+]1CCN(c2cc(Br)c(C#N)cc2F)CC1 ZINC000580095013 838856337 /nfs/dbraw/zinc/85/63/37/838856337.db2.gz FOPZWCQQLYIPEC-ZDUSSCGKSA-N 1 2 389.272 3.738 20 30 GHEDLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3CCCc4cc(C#N)ccc43)cn2c1 ZINC000416340253 838990367 /nfs/dbraw/zinc/99/03/67/838990367.db2.gz JRGCFVDKVQXKAZ-HXUWFJFHSA-N 1 2 390.512 3.941 20 30 GHEDLO C[N@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)Nc1ccc(C#N)cc1)CC2 ZINC000275804643 839020820 /nfs/dbraw/zinc/02/08/20/839020820.db2.gz SZPWLTLFSPWLTG-KRWDZBQOSA-N 1 2 381.505 3.533 20 30 GHEDLO C[N@@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)Nc1ccc(C#N)cc1)CC2 ZINC000275804643 839020829 /nfs/dbraw/zinc/02/08/29/839020829.db2.gz SZPWLTLFSPWLTG-KRWDZBQOSA-N 1 2 381.505 3.533 20 30 GHEDLO O=S1(=O)CC[C@@H]([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)c2cc(F)ccc21 ZINC000378445296 839136803 /nfs/dbraw/zinc/13/68/03/839136803.db2.gz SPCNLHZZLYCLTQ-QGZVFWFLSA-N 1 2 397.393 3.704 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc(F)ccc3-c3ccoc3)CC2)cc1 ZINC000471599327 839878171 /nfs/dbraw/zinc/87/81/71/839878171.db2.gz QRSOCVHPGZZPHZ-UHFFFAOYSA-N 1 2 389.430 3.915 20 30 GHEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000610451547 839966731 /nfs/dbraw/zinc/96/67/31/839966731.db2.gz BTJAMZVAZPOCFM-IBGZPJMESA-N 1 2 379.504 3.542 20 30 GHEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000610451547 839966736 /nfs/dbraw/zinc/96/67/36/839966736.db2.gz BTJAMZVAZPOCFM-IBGZPJMESA-N 1 2 379.504 3.542 20 30 GHEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](C[C@@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000759865775 840263245 /nfs/dbraw/zinc/26/32/45/840263245.db2.gz MUHIFJMBICPERL-VQTJNVASSA-N 1 2 391.849 3.534 20 30 GHEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@@H]2c2cccc(Br)c2)CCCCC1 ZINC000603857586 861281665 /nfs/dbraw/zinc/28/16/65/861281665.db2.gz ZBKXJZFNYCMEBV-QGZVFWFLSA-N 1 2 390.325 3.929 20 30 GHEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccc(Br)c2)CCCCC1 ZINC000603857586 861281674 /nfs/dbraw/zinc/28/16/74/861281674.db2.gz ZBKXJZFNYCMEBV-QGZVFWFLSA-N 1 2 390.325 3.929 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000175950592 842448391 /nfs/dbraw/zinc/44/83/91/842448391.db2.gz OTXJLQWBONKTTL-HXUWFJFHSA-N 1 2 397.906 3.874 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000175950592 842448395 /nfs/dbraw/zinc/44/83/95/842448395.db2.gz OTXJLQWBONKTTL-HXUWFJFHSA-N 1 2 397.906 3.874 20 30 GHEDLO N#Cc1cccc(-c2cc(C(=O)Nc3nc(C[NH+]4CCCCC4)cs3)on2)c1 ZINC000279121201 842611440 /nfs/dbraw/zinc/61/14/40/842611440.db2.gz ZWRPGVCDZSZNDJ-UHFFFAOYSA-N 1 2 393.472 3.908 20 30 GHEDLO C=CCNc1ncc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000245912213 842623981 /nfs/dbraw/zinc/62/39/81/842623981.db2.gz RLJOCPVQRPQJFI-GOEBONIOSA-N 1 2 376.913 3.570 20 30 GHEDLO C=CCNc1ncc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000245912213 842623989 /nfs/dbraw/zinc/62/39/89/842623989.db2.gz RLJOCPVQRPQJFI-GOEBONIOSA-N 1 2 376.913 3.570 20 30 GHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCC#Cc1cccc(F)c1 ZINC000512187612 842838508 /nfs/dbraw/zinc/83/85/08/842838508.db2.gz XZWNREQJXTWLIZ-UHFFFAOYSA-N 1 2 394.494 3.520 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@H](c3ccccc3)C3CC3)CC2)cc1 ZINC000432617056 843302978 /nfs/dbraw/zinc/30/29/78/843302978.db2.gz NHHBQAWXVYAXHC-HSZRJFAPSA-N 1 2 388.515 3.579 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCOC[C@H](C4CCC4)C3)n2)C1 ZINC000330270590 843352825 /nfs/dbraw/zinc/35/28/25/843352825.db2.gz ULLCQCOKIGDBES-NVXWUHKLSA-N 1 2 392.569 3.669 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCOC[C@H](C4CCC4)C3)n2)C1 ZINC000330270590 843352837 /nfs/dbraw/zinc/35/28/37/843352837.db2.gz ULLCQCOKIGDBES-NVXWUHKLSA-N 1 2 392.569 3.669 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2CC(=O)c2cccs2)cc1Cl ZINC000430997978 843399214 /nfs/dbraw/zinc/39/92/14/843399214.db2.gz CWLBDECRWTWRCD-HNNXBMFYSA-N 1 2 387.892 3.949 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]2CC(=O)c2cccs2)cc1Cl ZINC000430997978 843399229 /nfs/dbraw/zinc/39/92/29/843399229.db2.gz CWLBDECRWTWRCD-HNNXBMFYSA-N 1 2 387.892 3.949 20 30 GHEDLO N#CC1(F)CC[NH+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000510916853 843810484 /nfs/dbraw/zinc/81/04/84/843810484.db2.gz NVNDCWCFQUWUCZ-INIZCTEOSA-N 1 2 384.282 3.985 20 30 GHEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC001167497519 844882612 /nfs/dbraw/zinc/88/26/12/844882612.db2.gz ZWIJIAOATDTRKB-IRXDYDNUSA-N 1 2 396.922 3.917 20 30 GHEDLO Cc1cc(C(O)=CONC(=[NH2+])c2ccc(F)c(F)c2)c(C)n1Cc1ccccc1 ZINC000065205489 844901132 /nfs/dbraw/zinc/90/11/32/844901132.db2.gz KNOULJCUFDIXND-UHFFFAOYSA-N 1 2 397.425 3.951 20 30 GHEDLO C[C@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678393 861515955 /nfs/dbraw/zinc/51/59/55/861515955.db2.gz PSRAXCAUHRTEMC-MRXNPFEDSA-N 1 2 385.471 3.528 20 30 GHEDLO C[C@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678393 861515962 /nfs/dbraw/zinc/51/59/62/861515962.db2.gz PSRAXCAUHRTEMC-MRXNPFEDSA-N 1 2 385.471 3.528 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](Cc3cncc(Br)c3)CC2)c(F)c1 ZINC000512806222 845587163 /nfs/dbraw/zinc/58/71/63/845587163.db2.gz SCZMQSOZAQTIBU-UHFFFAOYSA-N 1 2 390.256 3.898 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H](CCC(=O)[O-])Cc3ccccc3)CC2)cc1 ZINC000263516863 846269706 /nfs/dbraw/zinc/26/97/06/846269706.db2.gz PCEBCERDBQHBDE-QHCPKHFHSA-N 1 2 391.515 3.588 20 30 GHEDLO N#Cc1ccc([C@@H]([NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)C(N)=O)cc1 ZINC000551372453 846351704 /nfs/dbraw/zinc/35/17/04/846351704.db2.gz STMKJNQRNJGVGQ-QGZVFWFLSA-N 1 2 382.876 3.651 20 30 GHEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)C1=O ZINC000248142968 849399647 /nfs/dbraw/zinc/39/96/47/849399647.db2.gz ZASSPNDDOWYJRS-SJORKVTESA-N 1 2 387.892 3.532 20 30 GHEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)C1=O ZINC000248142968 849399654 /nfs/dbraw/zinc/39/96/54/849399654.db2.gz ZASSPNDDOWYJRS-SJORKVTESA-N 1 2 387.892 3.532 20 30 GHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000732051074 862061065 /nfs/dbraw/zinc/06/10/65/862061065.db2.gz SRBQNFJRXACNTR-ZDUSSCGKSA-N 1 2 375.188 3.504 20 30 GHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000732051074 862061078 /nfs/dbraw/zinc/06/10/78/862061078.db2.gz SRBQNFJRXACNTR-ZDUSSCGKSA-N 1 2 375.188 3.504 20 30 GHEDLO COc1cc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)ccc1OC(C)C ZINC000434978845 849966639 /nfs/dbraw/zinc/96/66/39/849966639.db2.gz PQOWBXHYZMCNGU-OAQYLSRUSA-N 1 2 379.504 3.865 20 30 GHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](Cc2ccc(OC)cc2)C1 ZINC000435026216 850008842 /nfs/dbraw/zinc/00/88/42/850008842.db2.gz LJMVIMCVZVQZGY-SIKLNZKXSA-N 1 2 378.472 3.736 20 30 GHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](Cc2ccc(OC)cc2)C1 ZINC000435026216 850008852 /nfs/dbraw/zinc/00/88/52/850008852.db2.gz LJMVIMCVZVQZGY-SIKLNZKXSA-N 1 2 378.472 3.736 20 30 GHEDLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C#N)oc1C ZINC000436165320 851279270 /nfs/dbraw/zinc/27/92/70/851279270.db2.gz XJYISZWQZOYLEM-VFNWGFHPSA-N 1 2 380.492 3.536 20 30 GHEDLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C#N)oc1C ZINC000436165320 851279274 /nfs/dbraw/zinc/27/92/74/851279274.db2.gz XJYISZWQZOYLEM-VFNWGFHPSA-N 1 2 380.492 3.536 20 30 GHEDLO COc1cccc2c(N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)cc[nH+]c12 ZINC000436314361 851449682 /nfs/dbraw/zinc/44/96/82/851449682.db2.gz NDHMLJHGMWEYKD-UHFFFAOYSA-N 1 2 386.455 3.970 20 30 GHEDLO CCN(CCC#N)C(=O)C[N@H+](Cc1cc(Br)ccc1F)C(C)C ZINC000604492991 862253819 /nfs/dbraw/zinc/25/38/19/862253819.db2.gz WEHBOBZLPPPISR-UHFFFAOYSA-N 1 2 384.293 3.561 20 30 GHEDLO CCN(CCC#N)C(=O)C[N@@H+](Cc1cc(Br)ccc1F)C(C)C ZINC000604492991 862253838 /nfs/dbraw/zinc/25/38/38/862253838.db2.gz WEHBOBZLPPPISR-UHFFFAOYSA-N 1 2 384.293 3.561 20 30 GHEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000604495870 862257833 /nfs/dbraw/zinc/25/78/33/862257833.db2.gz QRUUSECTMWYQHX-UHFFFAOYSA-N 1 2 376.504 3.742 20 30 GHEDLO C=CCN(Cc1ccccc1F)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000515871188 851586426 /nfs/dbraw/zinc/58/64/26/851586426.db2.gz KSAKIZXNEWNRMH-UHFFFAOYSA-N 1 2 380.379 3.748 20 30 GHEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000516007915 852039970 /nfs/dbraw/zinc/03/99/70/852039970.db2.gz ZIAKKOLFNDUJCR-QFIPXVFZSA-N 1 2 392.503 3.663 20 30 GHEDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000329783044 862319479 /nfs/dbraw/zinc/31/94/79/862319479.db2.gz OEEBLBLBCBSIFG-DLBZAZTESA-N 1 2 390.553 3.708 20 30 GHEDLO N#Cc1cc(Cl)ccc1-n1ccc(NCc2c[nH+]cn2Cc2ccccc2)n1 ZINC000438324822 852270567 /nfs/dbraw/zinc/27/05/67/852270567.db2.gz RSTDRBUVNLPMCT-UHFFFAOYSA-N 1 2 388.862 3.676 20 30 GHEDLO CCCCOc1ccc(C[NH+]2CCN(c3ncccc3C#N)CC2)cc1OCC ZINC000506271834 852550754 /nfs/dbraw/zinc/55/07/54/852550754.db2.gz ZQUMHRSZBTTYGG-UHFFFAOYSA-N 1 2 394.519 3.853 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)s1 ZINC000507157368 852606396 /nfs/dbraw/zinc/60/63/96/852606396.db2.gz XCJGBHQHOXUPGV-UHFFFAOYSA-N 1 2 376.323 3.700 20 30 GHEDLO CC1(C)CN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)[C@@H]1[C@@H]1CCCO1 ZINC000329863117 862380713 /nfs/dbraw/zinc/38/07/13/862380713.db2.gz YXKRZLMVVCAYKD-JKSUJKDBSA-N 1 2 378.542 3.564 20 30 GHEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000507225988 852690111 /nfs/dbraw/zinc/69/01/11/852690111.db2.gz AVECWRWVAWPPNQ-JLTOFOAXSA-N 1 2 383.879 3.784 20 30 GHEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000507225988 852690116 /nfs/dbraw/zinc/69/01/16/852690116.db2.gz AVECWRWVAWPPNQ-JLTOFOAXSA-N 1 2 383.879 3.784 20 30 GHEDLO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507284591 852753539 /nfs/dbraw/zinc/75/35/39/852753539.db2.gz LJUVUDNKZUJZQI-QGZVFWFLSA-N 1 2 396.922 3.553 20 30 GHEDLO C[C@@H](NC(=O)C1CCCCC1)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000329890635 862400603 /nfs/dbraw/zinc/40/06/03/862400603.db2.gz GOHMVFRDEOFMKG-MRXNPFEDSA-N 1 2 386.540 3.851 20 30 GHEDLO C=C[C@@H]1CCCCN1C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000426192908 852990329 /nfs/dbraw/zinc/99/03/29/852990329.db2.gz RWQYYQQEZNYNPG-MRXNPFEDSA-N 1 2 391.313 3.698 20 30 GHEDLO N#Cc1ccnc(N2CC[NH+](Cc3cccc(C(=O)Nc4ccccc4)c3)CC2)c1 ZINC000054173528 853316578 /nfs/dbraw/zinc/31/65/78/853316578.db2.gz UKRPIIHGASZRFE-UHFFFAOYSA-N 1 2 397.482 3.528 20 30 GHEDLO Cc1ccccc1[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000491115482 853441387 /nfs/dbraw/zinc/44/13/87/853441387.db2.gz SCAMZEBRBQNXNU-QHCPKHFHSA-N 1 2 388.515 3.845 20 30 GHEDLO C=C(C)COc1cc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)ccc1OC ZINC000506113508 853449643 /nfs/dbraw/zinc/44/96/43/853449643.db2.gz SHKBMORQNNSNBC-UHFFFAOYSA-N 1 2 391.515 3.840 20 30 GHEDLO C[C@H](C1CC1)n1cc(NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000328659678 854493100 /nfs/dbraw/zinc/49/31/00/854493100.db2.gz TZRFCIODSHRDEL-NVXWUHKLSA-N 1 2 382.512 3.812 20 30 GHEDLO C[C@H](NC(=O)C[N@@H+]1CCCN(C(=O)CC2CCCC2)CC1)c1ccc(F)cc1 ZINC000328775453 854536700 /nfs/dbraw/zinc/53/67/00/854536700.db2.gz SKLJHROQPKHODI-KRWDZBQOSA-N 1 2 389.515 3.958 20 30 GHEDLO C[C@H](NC(=O)C[N@H+]1CCCN(C(=O)CC2CCCC2)CC1)c1ccc(F)cc1 ZINC000328775453 854536706 /nfs/dbraw/zinc/53/67/06/854536706.db2.gz SKLJHROQPKHODI-KRWDZBQOSA-N 1 2 389.515 3.958 20 30 GHEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2coc(C3CCOCC3)n2)C[C@@H](C)O1 ZINC000328786855 854557346 /nfs/dbraw/zinc/55/73/46/854557346.db2.gz JGSMNGGVHJUCFN-HZPDHXFCSA-N 1 2 399.491 3.814 20 30 GHEDLO O=C(N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCc2sccc2C1)C1CCCCC1 ZINC000328797376 854560856 /nfs/dbraw/zinc/56/08/56/854560856.db2.gz VTXNQNSMPLMNDE-KRWDZBQOSA-N 1 2 386.521 3.504 20 30 GHEDLO O=C(N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCc2sccc2C1)C1CCCCC1 ZINC000328797376 854560860 /nfs/dbraw/zinc/56/08/60/854560860.db2.gz VTXNQNSMPLMNDE-KRWDZBQOSA-N 1 2 386.521 3.504 20 30 GHEDLO Cc1nc(NCc2cccc(C(=O)Nc3ccc(C(C)(C)C#N)cc3)c2)cc[nH+]1 ZINC000543539359 862600509 /nfs/dbraw/zinc/60/05/09/862600509.db2.gz YHPZAIVBBLYFDS-UHFFFAOYSA-N 1 2 385.471 3.873 20 30 GHEDLO C=CCn1c(=S)n(C[NH+]2CCc3ccccc3CC2)nc1-c1ccccn1 ZINC000160819005 854982817 /nfs/dbraw/zinc/98/28/17/854982817.db2.gz IXEKLFVMFSFFGQ-UHFFFAOYSA-N 1 2 377.517 3.720 20 30 GHEDLO O=C(C[N@@H+]1CCS[C@H]2COCC[C@@H]21)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000330179689 862637423 /nfs/dbraw/zinc/63/74/23/862637423.db2.gz MQEKTHIMZZDIBS-HOTGVXAUSA-N 1 2 393.509 3.744 20 30 GHEDLO O=C(C[N@H+]1CCS[C@H]2COCC[C@@H]21)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000330179689 862637430 /nfs/dbraw/zinc/63/74/30/862637430.db2.gz MQEKTHIMZZDIBS-HOTGVXAUSA-N 1 2 393.509 3.744 20 30 GHEDLO Cc1ccc(C(=O)C2CC[NH+](CC(=O)N(CCC#N)c3ccccc3)CC2)cc1 ZINC000054295919 855140404 /nfs/dbraw/zinc/14/04/04/855140404.db2.gz ODCAEDVYHPFUJW-UHFFFAOYSA-N 1 2 389.499 3.837 20 30 GHEDLO N#CCCN(C(=O)C[NH+]1CCC(Nc2ccccn2)CC1)c1cccc(Cl)c1 ZINC000536372297 855168299 /nfs/dbraw/zinc/16/82/99/855168299.db2.gz XAXPXLVGHYANFL-UHFFFAOYSA-N 1 2 397.910 3.558 20 30 GHEDLO CC(C)(C#N)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000055409296 855318392 /nfs/dbraw/zinc/31/83/92/855318392.db2.gz QADJPCYXEAQIIZ-UHFFFAOYSA-N 1 2 398.488 3.517 20 30 GHEDLO N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)C[N@@H+]1CCC13CCC3)CCCC2 ZINC000330242256 862688566 /nfs/dbraw/zinc/68/85/66/862688566.db2.gz GBWXBNXJKOWAHY-INIZCTEOSA-N 1 2 382.508 3.634 20 30 GHEDLO N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)C[N@H+]1CCC13CCC3)CCCC2 ZINC000330242256 862688574 /nfs/dbraw/zinc/68/85/74/862688574.db2.gz GBWXBNXJKOWAHY-INIZCTEOSA-N 1 2 382.508 3.634 20 30 GHEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@H]2Cc2c(F)cccc2Cl)CCCCC1 ZINC000520523967 855591589 /nfs/dbraw/zinc/59/15/89/855591589.db2.gz ULXZBMDFPHRKAJ-HNNXBMFYSA-N 1 2 377.891 3.829 20 30 GHEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@H]2Cc2c(F)cccc2Cl)CCCCC1 ZINC000520523967 855591599 /nfs/dbraw/zinc/59/15/99/855591599.db2.gz ULXZBMDFPHRKAJ-HNNXBMFYSA-N 1 2 377.891 3.829 20 30 GHEDLO N#Cc1cc(NCc2ccc(Cn3cc[nH+]c3)cc2)nc2ccc([N+](=O)[O-])cc12 ZINC000301555415 855715351 /nfs/dbraw/zinc/71/53/51/855715351.db2.gz RYUYPVQHTBFDEE-UHFFFAOYSA-N 1 2 384.399 3.872 20 30 GHEDLO C[N@@H+]1CCO[C@@H]([C@@H](Nc2ccc(Cl)c(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000301852036 855770129 /nfs/dbraw/zinc/77/01/29/855770129.db2.gz AVBZZQWMSJKXAC-AEFFLSMTSA-N 1 2 377.275 3.744 20 30 GHEDLO C[N@H+]1CCO[C@@H]([C@@H](Nc2ccc(Cl)c(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000301852036 855770136 /nfs/dbraw/zinc/77/01/36/855770136.db2.gz AVBZZQWMSJKXAC-AEFFLSMTSA-N 1 2 377.275 3.744 20 30 GHEDLO C=CCOCC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000591123831 855786675 /nfs/dbraw/zinc/78/66/75/855786675.db2.gz UIYXMWZJVZWNJT-UHFFFAOYSA-N 1 2 390.936 3.915 20 30 GHEDLO COc1ccccc1C[NH+]1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000171208837 856035281 /nfs/dbraw/zinc/03/52/81/856035281.db2.gz VRBCWJAJRQSQLL-UHFFFAOYSA-N 1 2 392.503 3.846 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c(C#N)c1C ZINC000265617434 856272097 /nfs/dbraw/zinc/27/20/97/856272097.db2.gz ACKSXWPQFMNBBF-AWEZNQCLSA-N 1 2 389.459 3.761 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c(C#N)c1C ZINC000265617434 856272106 /nfs/dbraw/zinc/27/21/06/856272106.db2.gz ACKSXWPQFMNBBF-AWEZNQCLSA-N 1 2 389.459 3.761 20 30 GHEDLO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCO2)c1 ZINC000554868837 856285919 /nfs/dbraw/zinc/28/59/19/856285919.db2.gz NLXOEYQZQWQYIO-PKTZIBPZSA-N 1 2 378.472 3.517 20 30 GHEDLO N#Cc1ccccc1COc1cccc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCO2)c1 ZINC000554868837 856285927 /nfs/dbraw/zinc/28/59/27/856285927.db2.gz NLXOEYQZQWQYIO-PKTZIBPZSA-N 1 2 378.472 3.517 20 30 GHEDLO C[C@@H](Oc1ccccc1C#N)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000109581821 856331415 /nfs/dbraw/zinc/33/14/15/856331415.db2.gz PTKRGTVUTIQFLI-MRXNPFEDSA-N 1 2 390.443 3.580 20 30 GHEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)c2ccccc2OC(F)F)CC1 ZINC000172395448 856421782 /nfs/dbraw/zinc/42/17/82/856421782.db2.gz VPMKNNBXMCORLX-HNNXBMFYSA-N 1 2 385.414 3.679 20 30 GHEDLO N#CCCn1cc(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000105123970 856492070 /nfs/dbraw/zinc/49/20/70/856492070.db2.gz CAKQGARGOQOKDW-UHFFFAOYSA-N 1 2 386.499 3.555 20 30 GHEDLO COc1cccc(NC2CC[NH+](CC(=O)Nc3cc(Cl)ccc3C#N)CC2)c1 ZINC000111304448 856883185 /nfs/dbraw/zinc/88/31/85/856883185.db2.gz HYYXSQPXKVLCHV-UHFFFAOYSA-N 1 2 398.894 3.735 20 30 GHEDLO C[C@H](NC(=O)[C@H](C)O[NH+]=C(N)c1ccc(F)cc1)c1ccc2c(c1)CCCC2 ZINC000733304189 862848379 /nfs/dbraw/zinc/84/83/79/862848379.db2.gz GMYXNLGXPPWZRB-GJZGRUSLSA-N 1 2 383.467 3.607 20 30 GHEDLO COCC[N@H+](CC(=O)N[C@H](c1ccccc1)C(C)C)Cc1ccc(C#N)cc1 ZINC000063754032 857051435 /nfs/dbraw/zinc/05/14/35/857051435.db2.gz QGZPEPPRZIRBKA-QHCPKHFHSA-N 1 2 379.504 3.520 20 30 GHEDLO COCC[N@@H+](CC(=O)N[C@H](c1ccccc1)C(C)C)Cc1ccc(C#N)cc1 ZINC000063754032 857051441 /nfs/dbraw/zinc/05/14/41/857051441.db2.gz QGZPEPPRZIRBKA-QHCPKHFHSA-N 1 2 379.504 3.520 20 30 GHEDLO COCC[N@H+](Cc1ncc(-c2ccc(OC)cc2)o1)Cc1ccc(C#N)cc1 ZINC000063753426 857051647 /nfs/dbraw/zinc/05/16/47/857051647.db2.gz INPKWDVZXUXVQV-UHFFFAOYSA-N 1 2 377.444 3.870 20 30 GHEDLO COCC[N@@H+](Cc1ncc(-c2ccc(OC)cc2)o1)Cc1ccc(C#N)cc1 ZINC000063753426 857051649 /nfs/dbraw/zinc/05/16/49/857051649.db2.gz INPKWDVZXUXVQV-UHFFFAOYSA-N 1 2 377.444 3.870 20 30 GHEDLO C=CCC1(NC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)CCOCC1 ZINC000665257540 857172803 /nfs/dbraw/zinc/17/28/03/857172803.db2.gz MLPOUKHOBSLHGS-HNNXBMFYSA-N 1 2 378.542 3.622 20 30 GHEDLO C=CCC1(NC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)CCOCC1 ZINC000665257540 857172817 /nfs/dbraw/zinc/17/28/17/857172817.db2.gz MLPOUKHOBSLHGS-HNNXBMFYSA-N 1 2 378.542 3.622 20 30 GHEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429246187 857186295 /nfs/dbraw/zinc/18/62/95/857186295.db2.gz FTOWHNPTLGUCLF-MOPGFXCFSA-N 1 2 394.494 3.672 20 30 GHEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429246187 857186299 /nfs/dbraw/zinc/18/62/99/857186299.db2.gz FTOWHNPTLGUCLF-MOPGFXCFSA-N 1 2 394.494 3.672 20 30 GHEDLO CSc1c(F)cc(NC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)cc1F ZINC000330321548 862902546 /nfs/dbraw/zinc/90/25/46/862902546.db2.gz GBAHZMRGXDLLLU-MEBBXXQBSA-N 1 2 382.436 3.666 20 30 GHEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](CCSc2ccccc2F)CC1 ZINC000027104639 857443059 /nfs/dbraw/zinc/44/30/59/857443059.db2.gz BNBGQECZLSKHQM-UHFFFAOYSA-N 1 2 398.463 3.860 20 30 GHEDLO O=C(NCC#Cc1ccccc1)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000521163571 857691661 /nfs/dbraw/zinc/69/16/61/857691661.db2.gz VFMUVRCTQJKONB-FQEVSTJZSA-N 1 2 399.897 3.794 20 30 GHEDLO O=C(NCC#Cc1ccccc1)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000521163571 857691665 /nfs/dbraw/zinc/69/16/65/857691665.db2.gz VFMUVRCTQJKONB-FQEVSTJZSA-N 1 2 399.897 3.794 20 30 GHEDLO CC(C)CN(c1ccc(C#N)cc1)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000442985928 858292859 /nfs/dbraw/zinc/29/28/59/858292859.db2.gz YMTMCFUTFSHPFG-UHFFFAOYSA-N 1 2 394.500 3.654 20 30 GHEDLO N#Cc1ccc(CNC(=O)C[NH+](Cc2cccs2)Cc2cccs2)cc1 ZINC000521820921 858354647 /nfs/dbraw/zinc/35/46/47/858354647.db2.gz DQBHZLGITJLEAV-UHFFFAOYSA-N 1 2 381.526 4.000 20 30 GHEDLO CC1(C)COCC[N@@H+]1CCNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000171081279 863032822 /nfs/dbraw/zinc/03/28/22/863032822.db2.gz LXOYVNKJRHPBFX-UHFFFAOYSA-N 1 2 394.475 3.583 20 30 GHEDLO CC1(C)COCC[N@H+]1CCNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000171081279 863032833 /nfs/dbraw/zinc/03/28/33/863032833.db2.gz LXOYVNKJRHPBFX-UHFFFAOYSA-N 1 2 394.475 3.583 20 30 GHEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1 ZINC000595619467 858619860 /nfs/dbraw/zinc/61/98/60/858619860.db2.gz BOKMJUBPEDMQGV-OAHLLOKOSA-N 1 2 382.489 3.565 20 30 GHEDLO N#CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1 ZINC000595619467 858619866 /nfs/dbraw/zinc/61/98/66/858619866.db2.gz BOKMJUBPEDMQGV-OAHLLOKOSA-N 1 2 382.489 3.565 20 30 GHEDLO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3ccc(Br)o3)CC2)c1 ZINC000483293275 859262171 /nfs/dbraw/zinc/26/21/71/859262171.db2.gz GHNOMFVWISNMDY-UHFFFAOYSA-N 1 2 388.265 3.764 20 30 GHEDLO CC(C)C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1Br ZINC000483534852 859444838 /nfs/dbraw/zinc/44/48/38/859444838.db2.gz TWPYZYHNOXPSIK-IBGZPJMESA-N 1 2 392.341 3.716 20 30 GHEDLO CC(C)C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1Br ZINC000483534852 859444847 /nfs/dbraw/zinc/44/48/47/859444847.db2.gz TWPYZYHNOXPSIK-IBGZPJMESA-N 1 2 392.341 3.716 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)c2cc3ccccc3n2CC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000611217867 859653475 /nfs/dbraw/zinc/65/34/75/859653475.db2.gz PWZDUAZMLWFTSU-WIYYLYMNSA-N 1 2 394.425 3.618 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)c2cc3ccccc3n2CC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000611217867 859653479 /nfs/dbraw/zinc/65/34/79/859653479.db2.gz PWZDUAZMLWFTSU-WIYYLYMNSA-N 1 2 394.425 3.618 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)N2Cc3cccc(C#N)c3C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000593383942 859694779 /nfs/dbraw/zinc/69/47/79/859694779.db2.gz CDESZZVSFFZFTE-VQTJNVASSA-N 1 2 398.869 3.821 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)N2Cc3cccc(C#N)c3C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000593383942 859694789 /nfs/dbraw/zinc/69/47/89/859694789.db2.gz CDESZZVSFFZFTE-VQTJNVASSA-N 1 2 398.869 3.821 20 30 GHEDLO C[C@H]([NH2+]Cc1cn(-c2ccccc2Br)nn1)c1cccc(C#N)c1 ZINC000611438886 859761393 /nfs/dbraw/zinc/76/13/93/859761393.db2.gz JBOMDZUIBLVJKQ-ZDUSSCGKSA-N 1 2 382.265 3.752 20 30 GHEDLO COc1ccc2ccccc2c1-c1cc(C[NH+]2CCN(CCC#N)CC2)on1 ZINC000611501003 859786523 /nfs/dbraw/zinc/78/65/23/859786523.db2.gz KFUHHJYMPGZRJA-UHFFFAOYSA-N 1 2 376.460 3.535 20 30 GHEDLO CC(C)C[C@H](C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)n1cc[nH+]c1 ZINC000602150898 859811118 /nfs/dbraw/zinc/81/11/18/859811118.db2.gz BCWBXGOPWMCLBM-LJQANCHMSA-N 1 2 384.455 3.551 20 30 GHEDLO COC(=O)c1cccc(C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)c1C#N ZINC000543470541 859832060 /nfs/dbraw/zinc/83/20/60/859832060.db2.gz UXWFVYNKJCSTDT-CQSZACIVSA-N 1 2 392.434 3.829 20 30 GHEDLO CN(C)c1ccc(C=[NH+]Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 ZINC000727057981 859910332 /nfs/dbraw/zinc/91/03/32/859910332.db2.gz ARQHZGXLQPTKDN-UHFFFAOYSA-N 1 2 394.500 3.999 20 30 GHEDLO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccco1 ZINC000543486834 859920301 /nfs/dbraw/zinc/92/03/01/859920301.db2.gz DEINZUQNHFXENR-XJKSGUPXSA-N 1 2 387.505 3.786 20 30 GHEDLO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(OCc3ccccc3F)CC2)C1=O ZINC000091866572 859946142 /nfs/dbraw/zinc/94/61/42/859946142.db2.gz HGFIOGABIYGRAP-LJQANCHMSA-N 1 2 399.491 3.545 20 30 GHEDLO CC(C)Oc1ccc(NC(=S)N[NH+]=Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000727258191 860017923 /nfs/dbraw/zinc/01/79/23/860017923.db2.gz YCKFYFFAUWVXBN-UHFFFAOYSA-N 1 2 398.532 3.631 20 30 GHEDLO COc1ccc(NC(=S)NN=C(C)c2ccc(-n3cc[nH+]c3)cc2)cc1F ZINC000727262252 860019251 /nfs/dbraw/zinc/01/92/51/860019251.db2.gz UZSJZASLBXKANA-UHFFFAOYSA-N 1 2 383.452 3.731 20 30 GHEDLO COc1ccccc1O[C@@H]1CCC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000552216414 860020905 /nfs/dbraw/zinc/02/09/05/860020905.db2.gz APXRODYSGSGPFM-GOSISDBHSA-N 1 2 390.443 3.660 20 30 GHEDLO COc1ccccc1O[C@@H]1CCC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000552216414 860020917 /nfs/dbraw/zinc/02/09/17/860020917.db2.gz APXRODYSGSGPFM-GOSISDBHSA-N 1 2 390.443 3.660 20 30 GHEDLO CC(=O)N(c1nc(C[NH2+]CC2(CC#N)CC2)cs1)c1ccc(F)cc1F ZINC000602642375 860175813 /nfs/dbraw/zinc/17/58/13/860175813.db2.gz KWKBIGYAIHFDKB-UHFFFAOYSA-N 1 2 376.432 3.889 20 30 GHEDLO C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602911761 860344159 /nfs/dbraw/zinc/34/41/59/860344159.db2.gz IQMFGEILUNNDAV-ZDUSSCGKSA-N 1 2 386.858 3.952 20 30 GHEDLO C#CCC[NH+]1CCN(C(=O)[C@H](Sc2ccccc2F)c2ccccc2)CC1 ZINC000729972375 860478531 /nfs/dbraw/zinc/47/85/31/860478531.db2.gz YNHJGTJDLLBZKE-OAQYLSRUSA-N 1 2 382.504 3.827 20 30 GHEDLO N#Cc1ccc(C(F)(F)F)nc1N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000599180655 860912952 /nfs/dbraw/zinc/91/29/52/860912952.db2.gz XABOKZOEJMXVFH-UHFFFAOYSA-N 1 2 385.393 3.776 20 30 GHEDLO CC(=O)N1CC[N@@H+](CC(=O)N[C@H](C)Cc2ccccc2C)CC12CCCCC2 ZINC000329050792 860979302 /nfs/dbraw/zinc/97/93/02/860979302.db2.gz RFDIRPSCTAITEP-LJQANCHMSA-N 1 2 385.552 3.750 20 30 GHEDLO CC(=O)N1CC[N@H+](CC(=O)N[C@H](C)Cc2ccccc2C)CC12CCCCC2 ZINC000329050792 860979310 /nfs/dbraw/zinc/97/93/10/860979310.db2.gz RFDIRPSCTAITEP-LJQANCHMSA-N 1 2 385.552 3.750 20 30 GHEDLO Cc1c2ccccc2oc1C(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000329060691 860985481 /nfs/dbraw/zinc/98/54/81/860985481.db2.gz ZDPNONJQDLCBTQ-OXQOHEQNSA-N 1 2 392.459 3.674 20 30 GHEDLO CCc1ccc(C(=O)N2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)cc1 ZINC000179328960 861174726 /nfs/dbraw/zinc/17/47/26/861174726.db2.gz UMDGSDJCIPXRNR-UHFFFAOYSA-N 1 2 391.515 3.890 20 30 GHEDLO C=CCCO[C@H](C)C(=O)N(CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000607064233 864079522 /nfs/dbraw/zinc/07/95/22/864079522.db2.gz UIMAHFGOLIYGJB-GOSISDBHSA-N 1 2 388.556 3.707 20 30 GHEDLO Cn1ncc(C[NH+]2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c1Cl ZINC000897056656 864373419 /nfs/dbraw/zinc/37/34/19/864373419.db2.gz WDXDDVQXSXRQQD-YUMQZZPRSA-N 1 2 397.697 3.676 20 30 GHEDLO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000554541640 864528184 /nfs/dbraw/zinc/52/81/84/864528184.db2.gz IIPFWWPJRCASMT-WOJBJXKFSA-N 1 2 386.459 3.630 20 30 GHEDLO NC(=[NH+]OCCOc1ccc(F)cc1)c1ccc(OCc2cccnc2)cc1 ZINC000063509644 864886208 /nfs/dbraw/zinc/88/62/08/864886208.db2.gz LOQFYJMFZBEVQH-UHFFFAOYSA-N 1 2 381.407 3.516 20 30 GHEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000594288322 865714744 /nfs/dbraw/zinc/71/47/44/865714744.db2.gz UCLBGQPIQHOSSV-APWZRJJASA-N 1 2 397.469 3.796 20 30 GHEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000594288322 865714748 /nfs/dbraw/zinc/71/47/48/865714748.db2.gz UCLBGQPIQHOSSV-APWZRJJASA-N 1 2 397.469 3.796 20 30 GHEDLO CC[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1nc(C(F)(F)F)cs1 ZINC000173221223 865777341 /nfs/dbraw/zinc/77/73/41/865777341.db2.gz DLZVMYGQPNQPNR-NWDGAFQWSA-N 1 2 388.459 3.934 20 30 GHEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000739904283 865825607 /nfs/dbraw/zinc/82/56/07/865825607.db2.gz QTTCCWQTMLZRJF-FXAWDEMLSA-N 1 2 375.428 3.793 20 30 GHEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000739904283 865825621 /nfs/dbraw/zinc/82/56/21/865825621.db2.gz QTTCCWQTMLZRJF-FXAWDEMLSA-N 1 2 375.428 3.793 20 30 GHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1cccc(CC#N)c1 ZINC000455927089 865854302 /nfs/dbraw/zinc/85/43/02/865854302.db2.gz ZBBMKVAOSZAPJO-UHFFFAOYSA-N 1 2 377.492 3.918 20 30 GHEDLO C=CCc1cc(OCC)cc(C[N@H+](C)Cc2ccc(S(C)(=O)=O)cc2)c1O ZINC000740863498 866052627 /nfs/dbraw/zinc/05/26/27/866052627.db2.gz RZQXSGVYORSORJ-UHFFFAOYSA-N 1 2 389.517 3.555 20 30 GHEDLO C=CCc1cc(OCC)cc(C[N@@H+](C)Cc2ccc(S(C)(=O)=O)cc2)c1O ZINC000740863498 866052641 /nfs/dbraw/zinc/05/26/41/866052641.db2.gz RZQXSGVYORSORJ-UHFFFAOYSA-N 1 2 389.517 3.555 20 30 GHEDLO C[C@H](C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12)[NH+]1CCCCCC1 ZINC000741032137 866171019 /nfs/dbraw/zinc/17/10/19/866171019.db2.gz AOBKBHTZPHRQPA-QGZVFWFLSA-N 1 2 381.476 3.545 20 30 GHEDLO C[NH+](C)c1ccc(N2CCC(N=Nc3ccc(Br)cn3)CC2)cc1 ZINC000741463909 866531546 /nfs/dbraw/zinc/53/15/46/866531546.db2.gz KVPMFGSOBXEYJL-UHFFFAOYSA-N 1 2 388.313 3.978 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444687306 867066469 /nfs/dbraw/zinc/06/64/69/867066469.db2.gz ALTDBYJCPMDBOF-LLVKDONJSA-N 1 2 375.444 3.846 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444687306 867066484 /nfs/dbraw/zinc/06/64/84/867066484.db2.gz ALTDBYJCPMDBOF-LLVKDONJSA-N 1 2 375.444 3.846 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)Cc2cc(F)cc(F)c2)cc1 ZINC000444706615 867095316 /nfs/dbraw/zinc/09/53/16/867095316.db2.gz NYDGNJSEALXPDD-UHFFFAOYSA-N 1 2 387.430 3.742 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2cc(F)cc(F)c2)cc1 ZINC000444706615 867095335 /nfs/dbraw/zinc/09/53/35/867095335.db2.gz NYDGNJSEALXPDD-UHFFFAOYSA-N 1 2 387.430 3.742 20 30 GHEDLO CCc1ccc(C[NH+]2CCN(C(=O)CSc3ccc(C#N)cc3)CC2)s1 ZINC000523398682 867252509 /nfs/dbraw/zinc/25/25/09/867252509.db2.gz FDRRRBZYIVULAM-UHFFFAOYSA-N 1 2 385.558 3.619 20 30 GHEDLO C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)Cc1ccc([S@](C)=O)cc1 ZINC000154638335 867518913 /nfs/dbraw/zinc/51/89/13/867518913.db2.gz CSYIFQBXISZHPB-AREMUKBSSA-N 1 2 381.419 3.806 20 30 GHEDLO C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)Cc1ccc([S@](C)=O)cc1 ZINC000154638335 867518924 /nfs/dbraw/zinc/51/89/24/867518924.db2.gz CSYIFQBXISZHPB-AREMUKBSSA-N 1 2 381.419 3.806 20 30 GHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+]2CCC3(C2)CCOCC3)c1=S ZINC000743404740 868181787 /nfs/dbraw/zinc/18/17/87/868181787.db2.gz AMNDMGUSYVESON-UHFFFAOYSA-N 1 2 384.549 3.651 20 30 GHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+]2CCC3(C2)CCOCC3)c1=S ZINC000743404740 868181799 /nfs/dbraw/zinc/18/17/99/868181799.db2.gz AMNDMGUSYVESON-UHFFFAOYSA-N 1 2 384.549 3.651 20 30 GHEDLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000535280228 868513555 /nfs/dbraw/zinc/51/35/55/868513555.db2.gz JFUYEMCPFCVMKQ-NRFANRHFSA-N 1 2 387.439 3.647 20 30 GHEDLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000535280228 868513563 /nfs/dbraw/zinc/51/35/63/868513563.db2.gz JFUYEMCPFCVMKQ-NRFANRHFSA-N 1 2 387.439 3.647 20 30 GHEDLO CCOc1ccccc1N1CC[NH+](Cn2ccc(-c3ccc(C#N)cc3)n2)CC1 ZINC000744121357 868603317 /nfs/dbraw/zinc/60/33/17/868603317.db2.gz APGPDSRPZOCGDU-UHFFFAOYSA-N 1 2 387.487 3.600 20 30 GHEDLO C[N@@H+](Cc1cccc(C(F)(F)F)c1)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793485752 882221954 /nfs/dbraw/zinc/22/19/54/882221954.db2.gz CFTKRWDOLVBHTH-UHFFFAOYSA-N 1 2 375.394 3.707 20 30 GHEDLO C[N@H+](Cc1cccc(C(F)(F)F)c1)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793485752 882221967 /nfs/dbraw/zinc/22/19/67/882221967.db2.gz CFTKRWDOLVBHTH-UHFFFAOYSA-N 1 2 375.394 3.707 20 30 GHEDLO NC(=[NH+]OCC(=O)Nc1cccc(Oc2ccccc2)c1)c1ccc(F)cc1 ZINC000071805917 868772573 /nfs/dbraw/zinc/77/25/73/868772573.db2.gz XTOWWKZYIHCIAT-UHFFFAOYSA-N 1 2 379.391 3.894 20 30 GHEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000183967489 868837914 /nfs/dbraw/zinc/83/79/14/868837914.db2.gz IKVLJTOGAUHPAP-OAHLLOKOSA-N 1 2 398.304 3.840 20 30 GHEDLO C=CCn1c2nn(C[N@H+]3CC[C@@H](CC(C)C)C3)c(=S)n2c2ccccc2c1=O ZINC000744437872 868839184 /nfs/dbraw/zinc/83/91/84/868839184.db2.gz ZGVWXRAVJQGAQU-INIZCTEOSA-N 1 2 397.548 3.692 20 30 GHEDLO C=CCn1c2nn(C[N@@H+]3CC[C@@H](CC(C)C)C3)c(=S)n2c2ccccc2c1=O ZINC000744437872 868839198 /nfs/dbraw/zinc/83/91/98/868839198.db2.gz ZGVWXRAVJQGAQU-INIZCTEOSA-N 1 2 397.548 3.692 20 30 GHEDLO N#Cc1ccc(-c2cccc(CNC(=O)[C@H]3COCC[N@@H+]3C3CCCC3)c2)s1 ZINC000793538879 882254679 /nfs/dbraw/zinc/25/46/79/882254679.db2.gz DLPQMBHHDIDQIV-HXUWFJFHSA-N 1 2 395.528 3.546 20 30 GHEDLO N#Cc1ccc(-c2cccc(CNC(=O)[C@H]3COCC[N@H+]3C3CCCC3)c2)s1 ZINC000793538879 882254694 /nfs/dbraw/zinc/25/46/94/882254694.db2.gz DLPQMBHHDIDQIV-HXUWFJFHSA-N 1 2 395.528 3.546 20 30 GHEDLO N#CCCCC(=O)N1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000462238350 869066187 /nfs/dbraw/zinc/06/61/87/869066187.db2.gz NRBJIWVFKSWMAG-UHFFFAOYSA-N 1 2 391.515 3.631 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)c(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000539787035 869772035 /nfs/dbraw/zinc/77/20/35/869772035.db2.gz JNGMTDBLIRSBFN-ROUUACIJSA-N 1 2 375.806 3.665 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)c2ccc(Cl)c(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000539787035 869772044 /nfs/dbraw/zinc/77/20/44/869772044.db2.gz JNGMTDBLIRSBFN-ROUUACIJSA-N 1 2 375.806 3.665 20 30 GHEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(F)c(-c2cccs2)c1 ZINC000539908423 870005637 /nfs/dbraw/zinc/00/56/37/870005637.db2.gz VYFPBYPZGZBWDN-HNNXBMFYSA-N 1 2 393.491 3.927 20 30 GHEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(F)c(-c2cccs2)c1 ZINC000539908423 870005642 /nfs/dbraw/zinc/00/56/42/870005642.db2.gz VYFPBYPZGZBWDN-HNNXBMFYSA-N 1 2 393.491 3.927 20 30 GHEDLO N#Cc1cccc(COc2ccc(NC(=O)CCCn3cc[nH+]c3)cc2F)c1 ZINC000609105254 870104332 /nfs/dbraw/zinc/10/43/32/870104332.db2.gz WLRICUAROLUSQB-UHFFFAOYSA-N 1 2 378.407 3.892 20 30 GHEDLO N#Cc1cccc(COc2cccc(NC(=O)c3cc(-n4cc[nH+]c4)ccn3)c2)c1 ZINC000540036598 870268244 /nfs/dbraw/zinc/26/82/44/870268244.db2.gz ZXBWDEIVLWELJT-UHFFFAOYSA-N 1 2 395.422 3.970 20 30 GHEDLO COC(=O)c1cc(C[N@H+](C)CC#Cc2ccc(OC(F)(F)F)cc2)oc1C ZINC000446761787 870354855 /nfs/dbraw/zinc/35/48/55/870354855.db2.gz ZYVMMAJCFXBOEU-UHFFFAOYSA-N 1 2 381.350 3.757 20 30 GHEDLO COC(=O)c1cc(C[N@@H+](C)CC#Cc2ccc(OC(F)(F)F)cc2)oc1C ZINC000446761787 870354871 /nfs/dbraw/zinc/35/48/71/870354871.db2.gz ZYVMMAJCFXBOEU-UHFFFAOYSA-N 1 2 381.350 3.757 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)s3)CC2)cc1 ZINC000491292665 871217048 /nfs/dbraw/zinc/21/70/48/871217048.db2.gz AAEZPCOTIIRISZ-IAGOWNOFSA-N 1 2 385.920 3.721 20 30 GHEDLO C=CC[N@H+](C[C@@H]1CCCC[C@@H]1C(=O)OC)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001169293829 871364289 /nfs/dbraw/zinc/36/42/89/871364289.db2.gz ZKNVETUSEBYHIH-ACRUOGEOSA-N 1 2 387.520 3.628 20 30 GHEDLO C=CC[N@@H+](C[C@@H]1CCCC[C@@H]1C(=O)OC)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001169293829 871364312 /nfs/dbraw/zinc/36/43/12/871364312.db2.gz ZKNVETUSEBYHIH-ACRUOGEOSA-N 1 2 387.520 3.628 20 30 GHEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(N[C@H]2CCc3ccccc3[C@@H]2O)[nH+]1 ZINC001169620707 871681839 /nfs/dbraw/zinc/68/18/39/871681839.db2.gz BCARLCGPLHVMRT-TUBNVJHMSA-N 1 2 385.533 3.731 20 30 GHEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000525949497 871749742 /nfs/dbraw/zinc/74/97/42/871749742.db2.gz MTSLEDBNYPFVAM-INIZCTEOSA-N 1 2 382.895 3.529 20 30 GHEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000447656931 872041067 /nfs/dbraw/zinc/04/10/67/872041067.db2.gz ONQQSFQXBJOJJV-QGZVFWFLSA-N 1 2 395.528 3.502 20 30 GHEDLO NC(=[NH+]OCc1ccc(-n2cccn2)cc1)c1ccc(OCc2cccnc2)cc1 ZINC000101907150 872360317 /nfs/dbraw/zinc/36/03/17/872360317.db2.gz HVRYUJBZIDFMAS-UHFFFAOYSA-N 1 2 399.454 3.683 20 30 GHEDLO C[C@H](C#N)CNC(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000541016392 872764182 /nfs/dbraw/zinc/76/41/82/872764182.db2.gz PWTOTQWMQXXQBE-UTKZUKDTSA-N 1 2 396.922 3.916 20 30 GHEDLO Cc1cc(CNc2ccc(N3CC[NH+](C)CC3)c(Br)c2)ccc1C#N ZINC000767712158 872776660 /nfs/dbraw/zinc/77/66/60/872776660.db2.gz OLULBCMRMUTDCF-UHFFFAOYSA-N 1 2 399.336 3.993 20 30 GHEDLO N#Cc1ccc(C=CNc2cc(I)c3[nH+]ccn3c2)cc1 ZINC001203303323 872822681 /nfs/dbraw/zinc/82/26/81/872822681.db2.gz QCALTTGONORWSZ-AATRIKPKSA-N 1 2 386.196 3.893 20 30 GHEDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)Nc3cc(C#N)ccc3NC)c2C1 ZINC000552575725 872841587 /nfs/dbraw/zinc/84/15/87/872841587.db2.gz JXEVGNHLEMFYOT-UHFFFAOYSA-N 1 2 385.471 3.778 20 30 GHEDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)Nc3cc(C#N)ccc3NC)c2C1 ZINC000552575725 872841603 /nfs/dbraw/zinc/84/16/03/872841603.db2.gz JXEVGNHLEMFYOT-UHFFFAOYSA-N 1 2 385.471 3.778 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1C#N ZINC000619785247 872999533 /nfs/dbraw/zinc/99/95/33/872999533.db2.gz STJWNNYLNMRCEP-UHFFFAOYSA-N 1 2 375.432 3.635 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1C#N ZINC000619785247 872999537 /nfs/dbraw/zinc/99/95/37/872999537.db2.gz STJWNNYLNMRCEP-UHFFFAOYSA-N 1 2 375.432 3.635 20 30 GHEDLO CCOc1ccc(C[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C(C)C)cc1 ZINC000478423893 873006699 /nfs/dbraw/zinc/00/66/99/873006699.db2.gz YPNHOOZFVYBWBQ-UHFFFAOYSA-N 1 2 386.517 3.641 20 30 GHEDLO CCOc1ccc(C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C(C)C)cc1 ZINC000478423893 873006717 /nfs/dbraw/zinc/00/67/17/873006717.db2.gz YPNHOOZFVYBWBQ-UHFFFAOYSA-N 1 2 386.517 3.641 20 30 GHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1C ZINC000768574619 873398791 /nfs/dbraw/zinc/39/87/91/873398791.db2.gz SARGELCCKRXPOS-FQEVSTJZSA-N 1 2 395.890 3.937 20 30 GHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1C ZINC000768574619 873398806 /nfs/dbraw/zinc/39/88/06/873398806.db2.gz SARGELCCKRXPOS-FQEVSTJZSA-N 1 2 395.890 3.937 20 30 GHEDLO COC(=O)[C@H](c1ccc(Br)s1)[N@H+](C)CC1CCC(C#N)CC1 ZINC001197086334 873561565 /nfs/dbraw/zinc/56/15/65/873561565.db2.gz FACPMKWOPXUWNJ-QOZQQMKHSA-N 1 2 385.327 3.986 20 30 GHEDLO COC(=O)[C@H](c1ccc(Br)s1)[N@@H+](C)CC1CCC(C#N)CC1 ZINC001197086334 873561568 /nfs/dbraw/zinc/56/15/68/873561568.db2.gz FACPMKWOPXUWNJ-QOZQQMKHSA-N 1 2 385.327 3.986 20 30 GHEDLO N#Cc1cccc(NC(=S)NCc2c[nH+]cn2Cc2cccc(Cl)c2)c1 ZINC001197744019 874021180 /nfs/dbraw/zinc/02/11/80/874021180.db2.gz UZKHJONHCVNBKB-UHFFFAOYSA-N 1 2 381.892 3.943 20 30 GHEDLO C=CCOc1ccc(CC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)cc1 ZINC000448911758 874197377 /nfs/dbraw/zinc/19/73/77/874197377.db2.gz RDWMACVQFRIMBR-SFHVURJKSA-N 1 2 380.488 3.826 20 30 GHEDLO Cc1cc(-c2noc(C[NH2+]C3(c4ccc(C#N)cc4)CCOCC3)n2)ccc1F ZINC000528778763 875051052 /nfs/dbraw/zinc/05/10/52/875051052.db2.gz MUSAVKYKPDOKDY-UHFFFAOYSA-N 1 2 392.434 3.851 20 30 GHEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@@H](C)Oc2ccccc2C#N)c(C)c1 ZINC000441505786 883012819 /nfs/dbraw/zinc/01/28/19/883012819.db2.gz YXIPWVSWBSNZNL-WIYYLYMNSA-N 1 2 388.471 3.697 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(CN2CCC(n3cc[nH+]c3)CC2)c1=S ZINC000152090065 876773263 /nfs/dbraw/zinc/77/32/63/876773263.db2.gz QXZIZQMLQHCYNC-UHFFFAOYSA-N 1 2 398.511 3.897 20 30 GHEDLO C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001129664199 883068623 /nfs/dbraw/zinc/06/86/23/883068623.db2.gz RAGIBFQSBZQBME-GOSISDBHSA-N 1 2 376.416 3.698 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3c[nH]c4cc(Cl)ccc34)CC2)cc1 ZINC000068094754 877888004 /nfs/dbraw/zinc/88/80/04/877888004.db2.gz JOXQIPMTEVNMHY-UHFFFAOYSA-N 1 2 392.890 3.580 20 30 GHEDLO CCCCCCCCCCC[NH+]1CC2(C1)COCC(=O)N2CC(F)(F)F ZINC001275093746 912289238 /nfs/dbraw/zinc/28/92/38/912289238.db2.gz PVKITWYFGKUDCZ-UHFFFAOYSA-N 1 2 378.479 3.993 20 30 GHEDLO CC(C)(C#N)CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1 ZINC000852498320 878376739 /nfs/dbraw/zinc/37/67/39/878376739.db2.gz DZOSWHNHAFFOCJ-HZPDHXFCSA-N 1 2 385.405 3.602 20 30 GHEDLO CC(C)(C#N)CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1 ZINC000852498320 878376753 /nfs/dbraw/zinc/37/67/53/878376753.db2.gz DZOSWHNHAFFOCJ-HZPDHXFCSA-N 1 2 385.405 3.602 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](c3ccccc3)[C@H](NC(=O)C(F)(F)F)C2)cc1 ZINC000852674006 878511816 /nfs/dbraw/zinc/51/18/16/878511816.db2.gz SQOMJNLCPGXKBU-RTBURBONSA-N 1 2 387.405 3.595 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CC[C@H](c3ccccc3)[C@H](NC(=O)C(F)(F)F)C2)cc1 ZINC000852674006 878511833 /nfs/dbraw/zinc/51/18/33/878511833.db2.gz SQOMJNLCPGXKBU-RTBURBONSA-N 1 2 387.405 3.595 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[C@@H]4CCCC[C@H]4C3)CC2)cc1 ZINC000616173384 878629486 /nfs/dbraw/zinc/62/94/86/878629486.db2.gz VESUJTOTHQZAHP-FDFHNCONSA-N 1 2 380.536 3.744 20 30 GHEDLO C=CCOc1ccc(C[N@@H+](CC(=O)N2CCCC2)C[C@@H]2CCCO2)cc1Cl ZINC000093666531 912379282 /nfs/dbraw/zinc/37/92/82/912379282.db2.gz DTPCECAANPFJQW-SFHVURJKSA-N 1 2 392.927 3.508 20 30 GHEDLO C=CCOc1ccc(C[N@H+](CC(=O)N2CCCC2)C[C@@H]2CCCO2)cc1Cl ZINC000093666531 912379305 /nfs/dbraw/zinc/37/93/05/912379305.db2.gz DTPCECAANPFJQW-SFHVURJKSA-N 1 2 392.927 3.508 20 30 GHEDLO CSc1ccc([C@@H](CNC(=O)[C@@H](C)C#N)[N@@H+]2CCc3sccc3C2)cc1 ZINC000531050804 879017384 /nfs/dbraw/zinc/01/73/84/879017384.db2.gz YHEIYTBYFCQFMX-KBXCAEBGSA-N 1 2 385.558 3.845 20 30 GHEDLO CSc1ccc([C@@H](CNC(=O)[C@@H](C)C#N)[N@H+]2CCc3sccc3C2)cc1 ZINC000531050804 879017393 /nfs/dbraw/zinc/01/73/93/879017393.db2.gz YHEIYTBYFCQFMX-KBXCAEBGSA-N 1 2 385.558 3.845 20 30 GHEDLO CSc1ccc([C@H](CNC(=O)[C@H](C)C#N)[N@@H+]2CCc3sccc3C2)cc1 ZINC000531050805 879017904 /nfs/dbraw/zinc/01/79/04/879017904.db2.gz YHEIYTBYFCQFMX-KDOFPFPSSA-N 1 2 385.558 3.845 20 30 GHEDLO CSc1ccc([C@H](CNC(=O)[C@H](C)C#N)[N@H+]2CCc3sccc3C2)cc1 ZINC000531050805 879017921 /nfs/dbraw/zinc/01/79/21/879017921.db2.gz YHEIYTBYFCQFMX-KDOFPFPSSA-N 1 2 385.558 3.845 20 30 GHEDLO C=CC[C@@H]1CCC[N@@H+](Cn2nc([C@H]3COc4ccccc4O3)n(C)c2=S)C1 ZINC000853536260 879096696 /nfs/dbraw/zinc/09/66/96/879096696.db2.gz QXSGQLCVEXQFTO-CRAIPNDOSA-N 1 2 386.521 3.709 20 30 GHEDLO C=CC[C@@H]1CCC[N@H+](Cn2nc([C@H]3COc4ccccc4O3)n(C)c2=S)C1 ZINC000853536260 879096711 /nfs/dbraw/zinc/09/67/11/879096711.db2.gz QXSGQLCVEXQFTO-CRAIPNDOSA-N 1 2 386.521 3.709 20 30 GHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1nc([C@H]2COc3ccccc3O2)n(C)c1=S ZINC000853599586 879157285 /nfs/dbraw/zinc/15/72/85/879157285.db2.gz SFKSAPKNCIYYHF-RVKKMQEKSA-N 1 2 384.505 3.604 20 30 GHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1nc([C@H]2COc3ccccc3O2)n(C)c1=S ZINC000853599586 879157290 /nfs/dbraw/zinc/15/72/90/879157290.db2.gz SFKSAPKNCIYYHF-RVKKMQEKSA-N 1 2 384.505 3.604 20 30 GHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1 ZINC000790213154 879533365 /nfs/dbraw/zinc/53/33/65/879533365.db2.gz UFWHHIWURCOHJB-HNNXBMFYSA-N 1 2 391.258 3.612 20 30 GHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1 ZINC000790213154 879533384 /nfs/dbraw/zinc/53/33/84/879533384.db2.gz UFWHHIWURCOHJB-HNNXBMFYSA-N 1 2 391.258 3.612 20 30 GHEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+](CCOC)[C@@H]2CC[C@H](C)C2)c1=S ZINC000790482210 879754862 /nfs/dbraw/zinc/75/48/62/879754862.db2.gz ZYFQUZOTBMBHLG-FUHWJXTLSA-N 1 2 387.553 3.757 20 30 GHEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+](CCOC)[C@@H]2CC[C@H](C)C2)c1=S ZINC000790482210 879754870 /nfs/dbraw/zinc/75/48/70/879754870.db2.gz ZYFQUZOTBMBHLG-FUHWJXTLSA-N 1 2 387.553 3.757 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+](CC)Cc2ccccc2C)c1=S ZINC000152968246 879996106 /nfs/dbraw/zinc/99/61/06/879996106.db2.gz ZZTWERVMRZRBOS-UHFFFAOYSA-N 1 2 380.521 3.845 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+](CC)Cc2ccccc2C)c1=S ZINC000152968246 879996114 /nfs/dbraw/zinc/99/61/14/879996114.db2.gz ZZTWERVMRZRBOS-UHFFFAOYSA-N 1 2 380.521 3.845 20 30 GHEDLO CCCCCCCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804764214 883338691 /nfs/dbraw/zinc/33/86/91/883338691.db2.gz VJPKXPJGZAHCML-GOSISDBHSA-N 1 2 381.561 3.501 20 30 GHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C(C)(C)c1ccc(C#N)cc1 ZINC000859728170 884017760 /nfs/dbraw/zinc/01/77/60/884017760.db2.gz VRTFDLAWAOWNGN-UHFFFAOYSA-N 1 2 390.531 3.996 20 30 GHEDLO O=C1C=COC2(CC[NH+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)C1 ZINC000897602609 884055664 /nfs/dbraw/zinc/05/56/64/884055664.db2.gz SCNJFQYVVOTMGE-UHFFFAOYSA-N 1 2 385.445 3.556 20 30 GHEDLO N#CCN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1ccc(Cl)cc1 ZINC001130394295 884108795 /nfs/dbraw/zinc/10/87/95/884108795.db2.gz SEABQFBQMIUDPK-UHFFFAOYSA-N 1 2 381.779 3.604 20 30 GHEDLO C[C@H](C[N@H+](C)Cc1cc(C#N)ccc1Br)NC(=O)OC(C)(C)C ZINC000860097646 884325691 /nfs/dbraw/zinc/32/56/91/884325691.db2.gz UTONYIHGIOEJHJ-GFCCVEGCSA-N 1 2 382.302 3.666 20 30 GHEDLO C[C@H](C[N@@H+](C)Cc1cc(C#N)ccc1Br)NC(=O)OC(C)(C)C ZINC000860097646 884325705 /nfs/dbraw/zinc/32/57/05/884325705.db2.gz UTONYIHGIOEJHJ-GFCCVEGCSA-N 1 2 382.302 3.666 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC([C@H](O)c3cccc(OC)c3)CC2)c1C ZINC000860141516 884360959 /nfs/dbraw/zinc/36/09/59/884360959.db2.gz HMAAZURKJKRPBW-DEOSSOPVSA-N 1 2 396.531 3.928 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1Cc1ccccn1 ZINC001183832399 912837277 /nfs/dbraw/zinc/83/72/77/912837277.db2.gz UZGUNLYIZVEFQW-XZOQPEGZSA-N 1 2 388.515 3.541 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1Cc1ccccn1 ZINC001183832399 912837286 /nfs/dbraw/zinc/83/72/86/912837286.db2.gz UZGUNLYIZVEFQW-XZOQPEGZSA-N 1 2 388.515 3.541 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(N4CCCCC4)cc3)CC2)cc1 ZINC000610435777 884578683 /nfs/dbraw/zinc/57/86/83/884578683.db2.gz SZOLJDIURQFKEP-UHFFFAOYSA-N 1 2 388.515 3.507 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC(F)(F)C1 ZINC001183841923 912846175 /nfs/dbraw/zinc/84/61/75/912846175.db2.gz PYWLGLQPDATGLM-VQIMIIECSA-N 1 2 375.463 3.854 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC(F)(F)C1 ZINC001183841923 912846194 /nfs/dbraw/zinc/84/61/94/912846194.db2.gz PYWLGLQPDATGLM-VQIMIIECSA-N 1 2 375.463 3.854 20 30 GHEDLO Fc1cccc(Cl)c1C[NH+]1CCC(N=Nc2ccc(-n3ccnc3)nn2)CC1 ZINC000761836213 884730541 /nfs/dbraw/zinc/73/05/41/884730541.db2.gz QYXNJVSCEXPZSI-UHFFFAOYSA-N 1 2 399.861 3.519 20 30 GHEDLO Cc1nn(-c2cc[nH+]cc2)cc1C=NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000783780255 885024333 /nfs/dbraw/zinc/02/43/33/885024333.db2.gz ZWQBJGVGJLTKQQ-UHFFFAOYSA-N 1 2 390.325 3.949 20 30 GHEDLO Cc1cc(C[NH+]2CCN([C@H](C)c3nc(-c4cccs4)no3)CC2)ccc1C#N ZINC000487893488 885295863 /nfs/dbraw/zinc/29/58/63/885295863.db2.gz VMMFJKSQWBSPLS-MRXNPFEDSA-N 1 2 393.516 3.857 20 30 GHEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000807949507 885889592 /nfs/dbraw/zinc/88/95/92/885889592.db2.gz ZQTIEQPZHMDPJN-MAUKXSAKSA-N 1 2 392.503 3.770 20 30 GHEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000807949507 885889599 /nfs/dbraw/zinc/88/95/99/885889599.db2.gz ZQTIEQPZHMDPJN-MAUKXSAKSA-N 1 2 392.503 3.770 20 30 GHEDLO N#Cc1ccc(C[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000194965157 886005760 /nfs/dbraw/zinc/00/57/60/886005760.db2.gz UHZRTFDIIDVGJU-UHFFFAOYSA-N 1 2 384.823 3.723 20 30 GHEDLO N#Cc1ccc(C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000194965157 886005761 /nfs/dbraw/zinc/00/57/61/886005761.db2.gz UHZRTFDIIDVGJU-UHFFFAOYSA-N 1 2 384.823 3.723 20 30 GHEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000532570688 886137850 /nfs/dbraw/zinc/13/78/50/886137850.db2.gz BXBRMBTWHICOST-QAPCUYQASA-N 1 2 379.435 3.619 20 30 GHEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000532570688 886137855 /nfs/dbraw/zinc/13/78/55/886137855.db2.gz BXBRMBTWHICOST-QAPCUYQASA-N 1 2 379.435 3.619 20 30 GHEDLO CC[N@H+](CC(=O)N1CCC[C@@]2(CCCCO2)[C@@H]1C#N)Cc1ccccc1Cl ZINC000556785586 886169966 /nfs/dbraw/zinc/16/99/66/886169966.db2.gz PWHUFFHPUPHOLO-FPOVZHCZSA-N 1 2 389.927 3.616 20 30 GHEDLO CC[N@@H+](CC(=O)N1CCC[C@@]2(CCCCO2)[C@@H]1C#N)Cc1ccccc1Cl ZINC000556785586 886169970 /nfs/dbraw/zinc/16/99/70/886169970.db2.gz PWHUFFHPUPHOLO-FPOVZHCZSA-N 1 2 389.927 3.616 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N(C)Cc2cn3c([nH+]2)CCCC3)c1 ZINC000429550911 886687330 /nfs/dbraw/zinc/68/73/30/886687330.db2.gz WNJDZUMDDLSHFI-LJQANCHMSA-N 1 2 393.535 3.603 20 30 GHEDLO COc1cccc(OC)c1OCCCCO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000809993663 888048543 /nfs/dbraw/zinc/04/85/43/888048543.db2.gz NFJCOUGZSBFFPK-UHFFFAOYSA-N 1 2 378.856 3.853 20 30 GHEDLO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000465515139 888224017 /nfs/dbraw/zinc/22/40/17/888224017.db2.gz FJZSCJXJNBDMSZ-PKTZIBPZSA-N 1 2 399.498 3.913 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000135564605 888248977 /nfs/dbraw/zinc/24/89/77/888248977.db2.gz CKFDYCXWHAJNJG-MAUKXSAKSA-N 1 2 397.548 3.762 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000135564605 888248986 /nfs/dbraw/zinc/24/89/86/888248986.db2.gz CKFDYCXWHAJNJG-MAUKXSAKSA-N 1 2 397.548 3.762 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC3CCC(C(F)(F)F)CC3)CC2)cc1 ZINC000026299149 888458686 /nfs/dbraw/zinc/45/86/86/888458686.db2.gz OAUIJWHXIYETGB-UHFFFAOYSA-N 1 2 394.441 3.507 20 30 GHEDLO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)C1 ZINC000810536086 888564041 /nfs/dbraw/zinc/56/40/41/888564041.db2.gz IYZWBMKRAYZBCP-CWTRNNRKSA-N 1 2 378.398 3.820 20 30 GHEDLO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)C1 ZINC000810536086 888564047 /nfs/dbraw/zinc/56/40/47/888564047.db2.gz IYZWBMKRAYZBCP-CWTRNNRKSA-N 1 2 378.398 3.820 20 30 GHEDLO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)C1 ZINC000810536086 888564051 /nfs/dbraw/zinc/56/40/51/888564051.db2.gz IYZWBMKRAYZBCP-CWTRNNRKSA-N 1 2 378.398 3.820 20 30 GHEDLO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)C1 ZINC000810536086 888564057 /nfs/dbraw/zinc/56/40/57/888564057.db2.gz IYZWBMKRAYZBCP-CWTRNNRKSA-N 1 2 378.398 3.820 20 30 GHEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3ccc4c(C#N)c[nH]c4c3)CC2)cc1 ZINC000866094661 888729700 /nfs/dbraw/zinc/72/97/00/888729700.db2.gz FHXHJPLHQUVPEI-UHFFFAOYSA-N 1 2 387.487 3.504 20 30 GHEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1C#N ZINC000532746021 888838450 /nfs/dbraw/zinc/83/84/50/888838450.db2.gz RHUGPJXTHYRXJT-UHFFFAOYSA-N 1 2 378.259 3.944 20 30 GHEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1C#N ZINC000532746021 888838461 /nfs/dbraw/zinc/83/84/61/888838461.db2.gz RHUGPJXTHYRXJT-UHFFFAOYSA-N 1 2 378.259 3.944 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000811458511 889618336 /nfs/dbraw/zinc/61/83/36/889618336.db2.gz MZHQAWLCWZKNPX-JKSUJKDBSA-N 1 2 376.526 3.769 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCC[N@H+]1Cc1nc(C#N)cs1 ZINC000811458511 889618339 /nfs/dbraw/zinc/61/83/39/889618339.db2.gz MZHQAWLCWZKNPX-JKSUJKDBSA-N 1 2 376.526 3.769 20 30 GHEDLO C=C1CC[NH+](CC(=O)NC(c2ccc(OC)cc2)c2ccc(OC)cc2)CC1 ZINC000533280844 890216614 /nfs/dbraw/zinc/21/66/14/890216614.db2.gz YWYVRHGPUBFPKA-UHFFFAOYSA-N 1 2 380.488 3.561 20 30 GHEDLO Cn1c2ccccc2nc1[C@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000126008880 890328545 /nfs/dbraw/zinc/32/85/45/890328545.db2.gz AJBOEODKCPMCLX-HSZRJFAPSA-N 1 2 395.466 3.763 20 30 GHEDLO C[N@H+](CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)Cc1cccc(C#N)c1 ZINC000026328419 890397065 /nfs/dbraw/zinc/39/70/65/890397065.db2.gz FFWXDZDUQAXZGS-UHFFFAOYSA-N 1 2 377.444 3.670 20 30 GHEDLO C[N@@H+](CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)Cc1cccc(C#N)c1 ZINC000026328419 890397081 /nfs/dbraw/zinc/39/70/81/890397081.db2.gz FFWXDZDUQAXZGS-UHFFFAOYSA-N 1 2 377.444 3.670 20 30 GHEDLO C#C[C@@H](NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(F)cc1 ZINC000812934097 891142075 /nfs/dbraw/zinc/14/20/75/891142075.db2.gz QTDHDGRBMZSOAP-WOJBJXKFSA-N 1 2 376.435 3.517 20 30 GHEDLO COc1ccc(CN[NH+]=Cc2nc(N(C)C)n(-c3ccccc3)c2Cl)cc1 ZINC000917547692 892147536 /nfs/dbraw/zinc/14/75/36/892147536.db2.gz ZAQDDSJBBRRWBO-UHFFFAOYSA-N 1 2 383.883 3.724 20 30 GHEDLO CCn1c(=O)c2ccccc2nc1N[NH+]=Cc1ccccc1N1CCCCC1 ZINC000917581754 892247176 /nfs/dbraw/zinc/24/71/76/892247176.db2.gz VURCIAUWQVIZOQ-UHFFFAOYSA-N 1 2 375.476 3.853 20 30 GHEDLO Cc1ccc2[nH+]c(CSCC(=O)N(Cc3ccc(C#N)cc3)C3CC3)cn2c1 ZINC000194525613 892922141 /nfs/dbraw/zinc/92/21/41/892922141.db2.gz ZFWGUZUEHZNECZ-UHFFFAOYSA-N 1 2 390.512 3.939 20 30 GHEDLO COc1ccc(CN2CC[NH+](Cc3cccc(F)c3)CC2)cc1OCCCC#N ZINC000129153173 893110773 /nfs/dbraw/zinc/11/07/73/893110773.db2.gz NMEBKZIYKFFCAJ-UHFFFAOYSA-N 1 2 397.494 3.835 20 30 GHEDLO COc1ccc(C[NH+]2CCN(Cc3cccc(F)c3)CC2)cc1OCCCC#N ZINC000129153173 893110777 /nfs/dbraw/zinc/11/07/77/893110777.db2.gz NMEBKZIYKFFCAJ-UHFFFAOYSA-N 1 2 397.494 3.835 20 30 GHEDLO Cc1cc(C(=O)[C@H](C)[NH+]2CCC3(CC2)CC(=O)C=CO3)c(C)n1Cc1ccco1 ZINC000933653132 893118677 /nfs/dbraw/zinc/11/86/77/893118677.db2.gz QIYXCKFOYBYWJO-SFHVURJKSA-N 1 2 396.487 3.655 20 30 GHEDLO C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+](C)Cc1cc(C#N)cs1 ZINC000933776332 893211272 /nfs/dbraw/zinc/21/12/72/893211272.db2.gz BDARFTKXMMUXDJ-ZDUSSCGKSA-N 1 2 384.530 3.708 20 30 GHEDLO C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933776332 893211289 /nfs/dbraw/zinc/21/12/89/893211289.db2.gz BDARFTKXMMUXDJ-ZDUSSCGKSA-N 1 2 384.530 3.708 20 30 GHEDLO Cc1nn(C)c(N)c1C=[NH+]Nc1ccc(Br)cc1C(F)(F)F ZINC000814843305 893233732 /nfs/dbraw/zinc/23/37/32/893233732.db2.gz AIMYFUTUNIVLHO-UHFFFAOYSA-N 1 2 376.180 3.538 20 30 GHEDLO Cn1cc([C@H]2CSCCC[N@@H+]2Cc2cc(C#N)ccc2Br)cn1 ZINC000933978715 893333237 /nfs/dbraw/zinc/33/32/37/893333237.db2.gz SZXAYHGXBGEHLY-QGZVFWFLSA-N 1 2 391.338 3.734 20 30 GHEDLO Cn1cc([C@H]2CSCCC[N@H+]2Cc2cc(C#N)ccc2Br)cn1 ZINC000933978715 893333251 /nfs/dbraw/zinc/33/32/51/893333251.db2.gz SZXAYHGXBGEHLY-QGZVFWFLSA-N 1 2 391.338 3.734 20 30 GHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC(CCC#N)CC3)n2)C1 ZINC000563085010 893353355 /nfs/dbraw/zinc/35/33/55/893353355.db2.gz HMFLILBKYHMPSK-HNNXBMFYSA-N 1 2 375.542 3.923 20 30 GHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC(CCC#N)CC3)n2)C1 ZINC000563085010 893353374 /nfs/dbraw/zinc/35/33/74/893353374.db2.gz HMFLILBKYHMPSK-HNNXBMFYSA-N 1 2 375.542 3.923 20 30 GHEDLO C=CC[S@@](=O)(=NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21)c1ccccc1 ZINC001134862479 893431458 /nfs/dbraw/zinc/43/14/58/893431458.db2.gz XTDCUNYIXGDSSR-MHZLTWQESA-N 1 2 389.427 3.863 20 30 GHEDLO CC(C)OCCN1CC[NH+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000536658810 893461860 /nfs/dbraw/zinc/46/18/60/893461860.db2.gz MZHPBABVCYXKSK-UHFFFAOYSA-N 1 2 393.531 3.680 20 30 GHEDLO N#Cc1cnc(Cl)c(C[N@@H+]2CCc3c(ncn3CCc3ccccc3)C2)c1 ZINC000877180974 893524509 /nfs/dbraw/zinc/52/45/09/893524509.db2.gz DKAIHXWIKMCHHO-UHFFFAOYSA-N 1 2 377.879 3.604 20 30 GHEDLO N#Cc1cnc(Cl)c(C[N@H+]2CCc3c(ncn3CCc3ccccc3)C2)c1 ZINC000877180974 893524523 /nfs/dbraw/zinc/52/45/23/893524523.db2.gz DKAIHXWIKMCHHO-UHFFFAOYSA-N 1 2 377.879 3.604 20 30 GHEDLO Cc1ccc(S(=O)(=O)C2CC[NH+](Cc3ccc(C4(C#N)CC4)cc3)CC2)cc1 ZINC000877779705 893807752 /nfs/dbraw/zinc/80/77/52/893807752.db2.gz FODUBCQZRVKUCR-UHFFFAOYSA-N 1 2 394.540 3.989 20 30 GHEDLO C=CCC(F)(F)C(=O)N(CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000815675744 894105945 /nfs/dbraw/zinc/10/59/45/894105945.db2.gz SUBPIKFPPXSNJW-UHFFFAOYSA-N 1 2 380.483 3.937 20 30 GHEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CC4(CCOCC4)[C@H]3c3ccccc3)o2)cc1 ZINC000563871034 894281633 /nfs/dbraw/zinc/28/16/33/894281633.db2.gz HBICGHXRQOKJHQ-OAQYLSRUSA-N 1 2 386.455 3.962 20 30 GHEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CC4(CCOCC4)[C@H]3c3ccccc3)o2)cc1 ZINC000563871034 894281644 /nfs/dbraw/zinc/28/16/44/894281644.db2.gz HBICGHXRQOKJHQ-OAQYLSRUSA-N 1 2 386.455 3.962 20 30 GHEDLO CC[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc2c(c1)OCCO2 ZINC000537075873 894298094 /nfs/dbraw/zinc/29/80/94/894298094.db2.gz IUKSJNVHCZJCQP-QGZVFWFLSA-N 1 2 376.416 3.620 20 30 GHEDLO CC[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc2c(c1)OCCO2 ZINC000537075872 894299102 /nfs/dbraw/zinc/29/91/02/894299102.db2.gz IUKSJNVHCZJCQP-KRWDZBQOSA-N 1 2 376.416 3.620 20 30 GHEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000054537901 895156834 /nfs/dbraw/zinc/15/68/34/895156834.db2.gz RZWQSUGYAAMZAR-UHFFFAOYSA-N 1 2 384.505 3.757 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3cc(C(C)C)n[nH]3)C2)c(C#N)c1C ZINC000879919890 895403257 /nfs/dbraw/zinc/40/32/57/895403257.db2.gz UJASWJNDHOJTJX-GDBMZVCRSA-N 1 2 383.496 3.821 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3cc(C(C)C)n[nH]3)C2)c(C#N)c1C ZINC000879919890 895403261 /nfs/dbraw/zinc/40/32/61/895403261.db2.gz UJASWJNDHOJTJX-GDBMZVCRSA-N 1 2 383.496 3.821 20 30 GHEDLO C[C@@H]1CCN(C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)C[C@H]1n1cc[nH+]c1 ZINC000880927044 896005246 /nfs/dbraw/zinc/00/52/46/896005246.db2.gz DWKRVENXVMANNZ-XYPHTWIQSA-N 1 2 391.397 3.651 20 30 GHEDLO N#CCCn1cc(C(=O)C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c2ccccc21 ZINC000289631323 914271496 /nfs/dbraw/zinc/27/14/96/914271496.db2.gz RYHXWHSUKQFMIN-FGZHOGPDSA-N 1 2 377.488 3.771 20 30 GHEDLO N#CCCn1cc(C(=O)C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c2ccccc21 ZINC000289631323 914271514 /nfs/dbraw/zinc/27/15/14/914271514.db2.gz RYHXWHSUKQFMIN-FGZHOGPDSA-N 1 2 377.488 3.771 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000570557690 899386640 /nfs/dbraw/zinc/38/66/40/899386640.db2.gz VKLXDRFQPRQMTE-RPVQJOFSSA-N 1 2 379.476 3.854 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000570557690 899386653 /nfs/dbraw/zinc/38/66/53/899386653.db2.gz VKLXDRFQPRQMTE-RPVQJOFSSA-N 1 2 379.476 3.854 20 30 GHEDLO N#Cc1ccc(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1F ZINC000570692384 899512022 /nfs/dbraw/zinc/51/20/22/899512022.db2.gz CVVZOAACUOOXIH-PMACEKPBSA-N 1 2 375.407 3.944 20 30 GHEDLO C=CCOc1c(Br)cc(C[NH2+]Cc2nnc(CC)s2)cc1OC ZINC000289825782 914367584 /nfs/dbraw/zinc/36/75/84/914367584.db2.gz NVTSCVOUUFTDOS-UHFFFAOYSA-N 1 2 398.326 3.726 20 30 GHEDLO N#C[C@@H]1CC=C(Nc2cc[nH+]c3ccc(I)cc23)CC1 ZINC001212859458 899952666 /nfs/dbraw/zinc/95/26/66/899952666.db2.gz JVDKJZRJYGVPLG-LLVKDONJSA-N 1 2 375.213 3.881 20 30 GHEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1cc(O)ccc1Br ZINC000571722213 899956150 /nfs/dbraw/zinc/95/61/50/899956150.db2.gz AHGOFEZEHXBQOB-UHFFFAOYSA-N 1 2 375.266 3.675 20 30 GHEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1cc(O)ccc1Br ZINC000571722213 899956161 /nfs/dbraw/zinc/95/61/61/899956161.db2.gz AHGOFEZEHXBQOB-UHFFFAOYSA-N 1 2 375.266 3.675 20 30 GHEDLO C/C(=C/C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)C[NH+]1CCOCC1 ZINC001137036850 900187939 /nfs/dbraw/zinc/18/79/39/900187939.db2.gz HMRQWWBFYKPFDT-VBKFSLOCSA-N 1 2 395.434 3.707 20 30 GHEDLO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3c(Cl)cccc3C#N)C[C@@H]12 ZINC001143723278 900442036 /nfs/dbraw/zinc/44/20/36/900442036.db2.gz OYBKETHAPAUMDE-DHIUTWEWSA-N 1 2 393.918 3.976 20 30 GHEDLO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@@H+](Cc3c(Cl)cccc3C#N)C[C@@H]12 ZINC001143723278 900442042 /nfs/dbraw/zinc/44/20/42/900442042.db2.gz OYBKETHAPAUMDE-DHIUTWEWSA-N 1 2 393.918 3.976 20 30 GHEDLO Cc1ncc(C#N)cc1NC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1 ZINC001186308500 914461127 /nfs/dbraw/zinc/46/11/27/914461127.db2.gz XTWXSRIOXVKBIZ-HSZRJFAPSA-N 1 2 382.467 3.827 20 30 GHEDLO Cc1ncc(C#N)cc1NC(=O)[C@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1 ZINC001186308500 914461137 /nfs/dbraw/zinc/46/11/37/914461137.db2.gz XTWXSRIOXVKBIZ-HSZRJFAPSA-N 1 2 382.467 3.827 20 30 GHEDLO N#Cc1cncc(C[NH+]2CCC(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC001144086191 901031680 /nfs/dbraw/zinc/03/16/80/901031680.db2.gz NQKUAMQJBUGTEL-UHFFFAOYSA-N 1 2 389.377 3.947 20 30 GHEDLO N#C[C@@H]1CC=C(Nc2ccc(C(=O)N3CCN(c4cccc[nH+]4)CC3)cc2)CC1 ZINC001212862259 901682357 /nfs/dbraw/zinc/68/23/57/901682357.db2.gz GAZNMRWOHKCVDC-GOSISDBHSA-N 1 2 387.487 3.663 20 30 GHEDLO C=CCOc1ccc(-c2nn(C[N@H+](C)C[C@@H]3CCCOC3)c(=S)o2)cc1 ZINC000159027790 902463734 /nfs/dbraw/zinc/46/37/34/902463734.db2.gz ODLAYCCVBUHMRS-HNNXBMFYSA-N 1 2 375.494 3.753 20 30 GHEDLO C=CCOc1ccc(-c2nn(C[N@@H+](C)C[C@@H]3CCCOC3)c(=S)o2)cc1 ZINC000159027790 902463737 /nfs/dbraw/zinc/46/37/37/902463737.db2.gz ODLAYCCVBUHMRS-HNNXBMFYSA-N 1 2 375.494 3.753 20 30 GHEDLO N#CC1(C[C@@H](O)CNc2ccc3c(c2)[nH+]cn3-c2ccccc2)CCOCC1 ZINC000600742503 902862929 /nfs/dbraw/zinc/86/29/29/902862929.db2.gz MBVMUXSMGVIMNY-LJQANCHMSA-N 1 2 376.460 3.509 20 30 GHEDLO C[C@@H](c1cccc(NC(=O)CSc2ccc(C#N)cc2)c1)[NH+]1CCOCC1 ZINC000264313571 903015019 /nfs/dbraw/zinc/01/50/19/903015019.db2.gz ZKFVPMLLBAHSGK-INIZCTEOSA-N 1 2 381.501 3.682 20 30 GHEDLO N#CC1CC[NH+](Cc2coc(-c3ccc(I)cc3)n2)CC1 ZINC000130891716 903035646 /nfs/dbraw/zinc/03/56/46/903035646.db2.gz RJTYMZZJZJKFHS-UHFFFAOYSA-N 1 2 393.228 3.682 20 30 GHEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCC2CCC(C#N)CC2)C[C@@H](C)O1 ZINC000282744020 904299943 /nfs/dbraw/zinc/29/99/43/904299943.db2.gz PARDUCQRGUYHMO-YYZRRKBYSA-N 1 2 384.524 3.747 20 30 GHEDLO CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282805559 904329451 /nfs/dbraw/zinc/32/94/51/904329451.db2.gz SIEJRSYGNTXBMJ-KRWDZBQOSA-N 1 2 393.491 3.901 20 30 GHEDLO C=CCOc1ccccc1[C@@H](C)Nc1ccc(OCC[NH+]2CCOCC2)nc1 ZINC001171375946 904402946 /nfs/dbraw/zinc/40/29/46/904402946.db2.gz JEUMPGYJYKTQBG-GOSISDBHSA-N 1 2 383.492 3.531 20 30 GHEDLO C[C@H]1C[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)CCc2ccc(Cl)cc21 ZINC001171718161 904944598 /nfs/dbraw/zinc/94/45/98/904944598.db2.gz AZMAJAIDFPPUMH-HNNXBMFYSA-N 1 2 388.920 3.647 20 30 GHEDLO C[C@H]1C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)CCc2ccc(Cl)cc21 ZINC001171718161 904944607 /nfs/dbraw/zinc/94/46/07/904944607.db2.gz AZMAJAIDFPPUMH-HNNXBMFYSA-N 1 2 388.920 3.647 20 30 GHEDLO N#CC1(c2ccc(C(=O)NCC[N@H+]3CCc4c(Cl)cccc4C3)cc2)CC1 ZINC000188766729 904974960 /nfs/dbraw/zinc/97/49/60/904974960.db2.gz AVQFUJPTUCTJRG-UHFFFAOYSA-N 1 2 379.891 3.683 20 30 GHEDLO N#CC1(c2ccc(C(=O)NCC[N@@H+]3CCc4c(Cl)cccc4C3)cc2)CC1 ZINC000188766729 904974967 /nfs/dbraw/zinc/97/49/67/904974967.db2.gz AVQFUJPTUCTJRG-UHFFFAOYSA-N 1 2 379.891 3.683 20 30 GHEDLO CCc1nc([C@@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccccc2OC)cs1 ZINC000174079148 905197783 /nfs/dbraw/zinc/19/77/83/905197783.db2.gz DXYKQZLMDKHTOA-HUUCEWRRSA-N 1 2 386.521 3.700 20 30 GHEDLO CC(=O)c1ccc2c(c1)C[N@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)CC2 ZINC001172992171 906103553 /nfs/dbraw/zinc/10/35/53/906103553.db2.gz RMYPJGABNVIGQP-UXHICEINSA-N 1 2 383.492 3.539 20 30 GHEDLO CC(=O)c1ccc2c(c1)C[N@@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)CC2 ZINC001172992171 906103557 /nfs/dbraw/zinc/10/35/57/906103557.db2.gz RMYPJGABNVIGQP-UXHICEINSA-N 1 2 383.492 3.539 20 30 GHEDLO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001173080600 906180009 /nfs/dbraw/zinc/18/00/09/906180009.db2.gz ZHRCROLRDZZVRM-HONMWMINSA-N 1 2 389.311 3.853 20 30 GHEDLO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001173080600 906180012 /nfs/dbraw/zinc/18/00/12/906180012.db2.gz ZHRCROLRDZZVRM-HONMWMINSA-N 1 2 389.311 3.853 20 30 GHEDLO CC[NH+]1CCN(c2ccc(C(=O)[C@H](C#N)c3nc4cccc(C)c4[nH]3)cc2)CC1 ZINC000777328462 906199106 /nfs/dbraw/zinc/19/91/06/906199106.db2.gz SHJOJILNWHYLDB-IBGZPJMESA-N 1 2 387.487 3.503 20 30 GHEDLO CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3ccsc3C#N)c[nH+]2)CC1 ZINC001174454116 907061625 /nfs/dbraw/zinc/06/16/25/907061625.db2.gz DXRUBSXOPXLNQW-UHFFFAOYSA-N 1 2 385.493 3.815 20 30 GHEDLO C=C(C)Nc1[nH+]cnc2c1c(-c1ccc(C)cc1)c(C(=O)CF)n2CCCO ZINC001174788256 907201913 /nfs/dbraw/zinc/20/19/13/907201913.db2.gz WXLGETPRTCLCBH-UHFFFAOYSA-N 1 2 382.439 3.887 20 30 GHEDLO N#CCc1ccccc1CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000777397753 907449600 /nfs/dbraw/zinc/44/96/00/907449600.db2.gz FORSAOWXKKKCIB-FQEVSTJZSA-N 1 2 399.897 3.868 20 30 GHEDLO N#CCc1ccccc1CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000777397753 907449605 /nfs/dbraw/zinc/44/96/05/907449605.db2.gz FORSAOWXKKKCIB-FQEVSTJZSA-N 1 2 399.897 3.868 20 30 GHEDLO Cc1cc(C)cc(OCc2noc(C[N@H+](C)CCc3cccc(C#N)c3)n2)c1 ZINC001175532901 907608621 /nfs/dbraw/zinc/60/86/21/907608621.db2.gz QXGDWVMDRKBAJY-UHFFFAOYSA-N 1 2 376.460 3.812 20 30 GHEDLO Cc1cc(C)cc(OCc2noc(C[N@@H+](C)CCc3cccc(C#N)c3)n2)c1 ZINC001175532901 907608627 /nfs/dbraw/zinc/60/86/27/907608627.db2.gz QXGDWVMDRKBAJY-UHFFFAOYSA-N 1 2 376.460 3.812 20 30 GHEDLO CC(C)(C)OC(=O)N1CC2(CCC2)[C@@H]1C1CC[NH+](Cc2ccncc2C#N)CC1 ZINC001175652675 907660705 /nfs/dbraw/zinc/66/07/05/907660705.db2.gz YMKAIJZSVHXAGY-FQEVSTJZSA-N 1 2 396.535 3.955 20 30 GHEDLO CCC[C@H](C(=O)OCC)[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001176691476 908213801 /nfs/dbraw/zinc/21/38/01/908213801.db2.gz WEPPCKCSIKIRMO-OPRDCNLKSA-N 1 2 397.306 3.821 20 30 GHEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ncccc2OCCCC#N)CC1 ZINC000188680794 908238902 /nfs/dbraw/zinc/23/89/02/908238902.db2.gz CHITZUBFLRQTMR-INIZCTEOSA-N 1 2 399.520 3.736 20 30 GHEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000635921780 909382541 /nfs/dbraw/zinc/38/25/41/909382541.db2.gz MESHVWNUEGFGLA-MRXNPFEDSA-N 1 2 383.418 3.759 20 30 GHEDLO C=CCNC(=O)c1ccc(NC(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)cc1 ZINC000639569666 910520820 /nfs/dbraw/zinc/52/08/20/910520820.db2.gz PGQHDPBVHFDGAM-UAPYVXQJSA-N 1 2 393.491 3.542 20 30 GHEDLO C[NH+](C)[C@H](CNC(=O)Cc1ccc(F)c(C#N)c1)c1ccc(Cl)cc1Cl ZINC001181193661 910604262 /nfs/dbraw/zinc/60/42/62/910604262.db2.gz GBKOQIKTRZPSLL-GOSISDBHSA-N 1 2 394.277 3.966 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2c[nH]nc2-c2cccc(Cl)c2)c1 ZINC000092143567 911421878 /nfs/dbraw/zinc/42/18/78/911421878.db2.gz NDMVCOUOQKUAMX-UHFFFAOYSA-N 1 2 378.863 3.782 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2c[nH]nc2-c2cccc(Cl)c2)c1 ZINC000092143567 911421885 /nfs/dbraw/zinc/42/18/85/911421885.db2.gz NDMVCOUOQKUAMX-UHFFFAOYSA-N 1 2 378.863 3.782 20 30 GHEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000366516407 921660221 /nfs/dbraw/zinc/66/02/21/921660221.db2.gz DOGXZEZEEWVKSE-UHFFFAOYSA-N 1 2 376.464 3.683 20 30 GHEDLO CC(C)(C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1cc(F)cc(C#N)c1 ZINC000284944323 912087863 /nfs/dbraw/zinc/08/78/63/912087863.db2.gz BJVBHNBMYXUKIP-UHFFFAOYSA-N 1 2 380.467 3.677 20 30 GHEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)Cc1ccc(Br)o1 ZINC000097287211 915483093 /nfs/dbraw/zinc/48/30/93/915483093.db2.gz XSFDKUHXFRHXNE-TXKKKEFDSA-N 1 2 396.329 3.793 20 30 GHEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)Cc1ccc(Br)o1 ZINC000097287211 915483099 /nfs/dbraw/zinc/48/30/99/915483099.db2.gz XSFDKUHXFRHXNE-TXKKKEFDSA-N 1 2 396.329 3.793 20 30 GHEDLO COc1ccc(Cl)cc1NC(=O)Nc1sc2c(c1C#N)CC[N@@H+](C)C2 ZINC001187901131 915584988 /nfs/dbraw/zinc/58/49/88/915584988.db2.gz TYPYOFGABWEWPC-UHFFFAOYSA-N 1 2 376.869 3.914 20 30 GHEDLO COc1ccc(Cl)cc1NC(=O)Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001187901131 915584997 /nfs/dbraw/zinc/58/49/97/915584997.db2.gz TYPYOFGABWEWPC-UHFFFAOYSA-N 1 2 376.869 3.914 20 30 GHEDLO CCCCCCCCn1nc(C)c(S(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)c1C ZINC001188345155 915901832 /nfs/dbraw/zinc/90/18/32/915901832.db2.gz HPFWVPHUTZGJKB-DLBZAZTESA-N 1 2 398.617 3.574 20 30 GHEDLO CCCCCCCCn1nc(C)c(S(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)c1C ZINC001188345155 915901855 /nfs/dbraw/zinc/90/18/55/915901855.db2.gz HPFWVPHUTZGJKB-DLBZAZTESA-N 1 2 398.617 3.574 20 30 GHEDLO CCCCCCCCn1nc(C)c(S(=O)(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1C ZINC001188345158 915902015 /nfs/dbraw/zinc/90/20/15/915902015.db2.gz HPFWVPHUTZGJKB-SJORKVTESA-N 1 2 398.617 3.574 20 30 GHEDLO CCCCCCCCn1nc(C)c(S(=O)(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1C ZINC001188345158 915902032 /nfs/dbraw/zinc/90/20/32/915902032.db2.gz HPFWVPHUTZGJKB-SJORKVTESA-N 1 2 398.617 3.574 20 30 GHEDLO CCCCCCCCNC(=O)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001191060544 917731232 /nfs/dbraw/zinc/73/12/32/917731232.db2.gz YENCRRLSKNHNRH-IBGZPJMESA-N 1 2 399.539 3.859 20 30 GHEDLO CCC1CCC([NH2+]CCC(=O)Nc2ccc(C#N)c(Cl)c2)(C(=O)OC)CC1 ZINC001191899551 918290489 /nfs/dbraw/zinc/29/04/89/918290489.db2.gz MEUGGVQKKGEGSQ-UHFFFAOYSA-N 1 2 391.899 3.642 20 30 GHEDLO Cc1ccc(S(=O)(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@H](C)[C@H]2C)c(C#N)c1 ZINC001192036017 918369380 /nfs/dbraw/zinc/36/93/80/918369380.db2.gz IZKRKOLLJGUPRP-IPMKNSEASA-N 1 2 397.544 3.539 20 30 GHEDLO Cc1ccc(S(=O)(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@H](C)[C@H]2C)c(C#N)c1 ZINC001192036017 918369390 /nfs/dbraw/zinc/36/93/90/918369390.db2.gz IZKRKOLLJGUPRP-IPMKNSEASA-N 1 2 397.544 3.539 20 30 GHEDLO N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1F ZINC000364043515 919093747 /nfs/dbraw/zinc/09/37/47/919093747.db2.gz ROZREEAALZTMLY-OAHLLOKOSA-N 1 2 376.391 3.887 20 30 GHEDLO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000115596989 919459880 /nfs/dbraw/zinc/45/98/80/919459880.db2.gz ROKHFUULCFSZBI-OPAMFIHVSA-N 1 2 398.466 3.688 20 30 GHEDLO N#CCOc1cc(F)ccc1NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000800547485 920264105 /nfs/dbraw/zinc/26/41/05/920264105.db2.gz OIZMACCCGDEQGW-OAHLLOKOSA-N 1 2 397.454 3.672 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000298374047 920457966 /nfs/dbraw/zinc/45/79/66/920457966.db2.gz VGKRGXQLXLBYQM-QBIMZIAESA-N 1 2 379.476 3.996 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000298374047 920457987 /nfs/dbraw/zinc/45/79/87/920457987.db2.gz VGKRGXQLXLBYQM-QBIMZIAESA-N 1 2 379.476 3.996 20 30 GHEDLO C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367056950 921897662 /nfs/dbraw/zinc/89/76/62/921897662.db2.gz DJOFOUKDHFGMOG-ROUUACIJSA-N 1 2 394.544 3.752 20 30 GHEDLO Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000368516523 922723229 /nfs/dbraw/zinc/72/32/29/922723229.db2.gz ZHWQFQFKIJVTRO-MOPGFXCFSA-N 1 2 376.504 3.513 20 30 GHEDLO CCC[C@@H](NC(=O)[C@H](C)[NH+]1CCC(C#N)(c2ccccn2)CC1)c1ccccc1 ZINC000369205064 923203486 /nfs/dbraw/zinc/20/34/86/923203486.db2.gz IHMIBGGYPAGDPP-PZJWPPBQSA-N 1 2 390.531 3.985 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(O)ccc1Br ZINC001276088191 925468389 /nfs/dbraw/zinc/46/83/89/925468389.db2.gz BEJSXOURAKAAHD-IBGZPJMESA-N 1 2 393.325 3.688 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(O)ccc1Br ZINC001276088191 925468395 /nfs/dbraw/zinc/46/83/95/925468395.db2.gz BEJSXOURAKAAHD-IBGZPJMESA-N 1 2 393.325 3.688 20 30 GHEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411181076 926176096 /nfs/dbraw/zinc/17/60/96/926176096.db2.gz TVQJDXPTFAHDQY-OAHLLOKOSA-N 1 2 399.447 3.627 20 30 GHEDLO C=CC[N@H+](Cc1ccc(OC)cc1)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411181076 926176098 /nfs/dbraw/zinc/17/60/98/926176098.db2.gz TVQJDXPTFAHDQY-OAHLLOKOSA-N 1 2 399.447 3.627 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)C[C@@H](CC#N)c2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000373573419 926257436 /nfs/dbraw/zinc/25/74/36/926257436.db2.gz BNEMEQCXZRLJCV-BUVFEPMLSA-N 1 2 383.442 3.914 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)C[C@@H](CC#N)c2ccccc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000373573419 926257446 /nfs/dbraw/zinc/25/74/46/926257446.db2.gz BNEMEQCXZRLJCV-BUVFEPMLSA-N 1 2 383.442 3.914 20 30 GHEDLO C=CCn1c([C@@H]2COc3ccccc3O2)nn(C[N@H+]2CC[C@H](C)[C@@H]2C)c1=S ZINC000751939056 928495572 /nfs/dbraw/zinc/49/55/72/928495572.db2.gz CQTCLJFBCIXGMT-MPGHIAIKSA-N 1 2 386.521 3.800 20 30 GHEDLO C=CCn1c([C@@H]2COc3ccccc3O2)nn(C[N@@H+]2CC[C@H](C)[C@@H]2C)c1=S ZINC000751939056 928495585 /nfs/dbraw/zinc/49/55/85/928495585.db2.gz CQTCLJFBCIXGMT-MPGHIAIKSA-N 1 2 386.521 3.800 20 30 GHEDLO C=CCOc1ccc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1OC ZINC000544024622 928701610 /nfs/dbraw/zinc/70/16/10/928701610.db2.gz WCUANDNQXCYPTM-UHFFFAOYSA-N 1 2 383.492 3.789 20 30 GHEDLO CCOC(=O)Nc1ccc(NC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1C#N ZINC000752309062 928745749 /nfs/dbraw/zinc/74/57/49/928745749.db2.gz XEUILCRGEHSXGQ-KRWDZBQOSA-N 1 2 398.467 3.560 20 30 GHEDLO CCOC(=O)c1sc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)cc1C ZINC000544183281 928901953 /nfs/dbraw/zinc/90/19/53/928901953.db2.gz GAXNPFOKPUAQCR-UHFFFAOYSA-N 1 2 397.500 3.708 20 30 GHEDLO CCOC(=O)c1sc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1C ZINC000544183281 928901971 /nfs/dbraw/zinc/90/19/71/928901971.db2.gz GAXNPFOKPUAQCR-UHFFFAOYSA-N 1 2 397.500 3.708 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000544439959 929184424 /nfs/dbraw/zinc/18/44/24/929184424.db2.gz GGNBTBLIUMAEKY-JFIYKMOQSA-N 1 2 389.565 3.606 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000544439959 929184429 /nfs/dbraw/zinc/18/44/29/929184429.db2.gz GGNBTBLIUMAEKY-JFIYKMOQSA-N 1 2 389.565 3.606 20 30 GHEDLO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1 ZINC000753934787 929600771 /nfs/dbraw/zinc/60/07/71/929600771.db2.gz KNADHFBUOYVCPD-IYBDPMFKSA-N 1 2 391.306 3.681 20 30 GHEDLO C#CCCCC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000757852586 929825822 /nfs/dbraw/zinc/82/58/22/929825822.db2.gz AEPDXWDGRRUOAR-UHFFFAOYSA-N 1 2 397.500 3.771 20 30 GHEDLO Cc1ccn(C[NH+]2CCC(c3ccc(C(F)(F)F)cc3)CC2)c(=O)c1C#N ZINC000758247059 929986325 /nfs/dbraw/zinc/98/63/25/929986325.db2.gz DUNJLZGYJHHBRH-UHFFFAOYSA-N 1 2 375.394 3.884 20 30 GHEDLO CC(C)OC[C@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CCO1 ZINC000546735944 930391429 /nfs/dbraw/zinc/39/14/29/930391429.db2.gz KTWDZGOUPKNAKY-HSZRJFAPSA-N 1 2 380.488 3.763 20 30 GHEDLO CC(C)OC[C@H]1C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CCO1 ZINC000546735944 930391435 /nfs/dbraw/zinc/39/14/35/930391435.db2.gz KTWDZGOUPKNAKY-HSZRJFAPSA-N 1 2 380.488 3.763 20 30 GHEDLO CO[C@]1(C(F)(F)F)CCC[N@H+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C1 ZINC000781977041 931049079 /nfs/dbraw/zinc/04/90/79/931049079.db2.gz HVYYYAWXBVGKQC-LJQANCHMSA-N 1 2 397.441 3.593 20 30 GHEDLO CO[C@]1(C(F)(F)F)CCC[N@@H+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C1 ZINC000781977041 931049090 /nfs/dbraw/zinc/04/90/90/931049090.db2.gz HVYYYAWXBVGKQC-LJQANCHMSA-N 1 2 397.441 3.593 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)/C=C/c2ccccc2C#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000782750683 931324218 /nfs/dbraw/zinc/32/42/18/931324218.db2.gz QKPBQGDHQONROM-CPVCZIGASA-N 1 2 399.416 3.940 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)/C=C/c2ccccc2C#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000782750683 931324224 /nfs/dbraw/zinc/32/42/24/931324224.db2.gz QKPBQGDHQONROM-CPVCZIGASA-N 1 2 399.416 3.940 20 30 GHEDLO CC[C@H]([NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1)c1cccc(C#N)c1O ZINC000924775480 931533628 /nfs/dbraw/zinc/53/36/28/931533628.db2.gz ACOUTHLCYINFPB-VQTJNVASSA-N 1 2 379.460 3.622 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000558506436 932041042 /nfs/dbraw/zinc/04/10/42/932041042.db2.gz OGHNWOKBGQUOAM-GJZGRUSLSA-N 1 2 390.471 3.695 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000558506436 932041049 /nfs/dbraw/zinc/04/10/49/932041049.db2.gz OGHNWOKBGQUOAM-GJZGRUSLSA-N 1 2 390.471 3.695 20 30 GHEDLO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H](C)c1csnn1 ZINC000926590550 932238462 /nfs/dbraw/zinc/23/84/62/932238462.db2.gz SDMVFFJYUXGDLQ-KGLIPLIRSA-N 1 2 379.530 3.508 20 30 GHEDLO O=C1C=C([NH2+]Nc2ccc(Br)cc2C(F)(F)F)[C@H]2CCCN12 ZINC000799479742 933018120 /nfs/dbraw/zinc/01/81/20/933018120.db2.gz DZNRCUXIEKPUAX-GFCCVEGCSA-N 1 2 376.176 3.631 20 30 GHEDLO N#Cc1cccc(F)c1CC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000560705675 933477855 /nfs/dbraw/zinc/47/78/55/933477855.db2.gz CMPGSQJVMFCOHN-UHFFFAOYSA-N 1 2 396.853 3.819 20 30 GHEDLO Cc1ccc([C@H]2CCN(c3nnc(C4CC[NH+](CCC#N)CC4)n3C)C2)c(C)c1 ZINC001121416074 934650562 /nfs/dbraw/zinc/65/05/62/934650562.db2.gz ZRWPFYMBNVBBMO-FQEVSTJZSA-N 1 2 392.551 3.519 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2Cc2ccccc2)nnc1N1CCC[C@H](C)C1 ZINC001121621208 934717834 /nfs/dbraw/zinc/71/78/34/934717834.db2.gz YWMJBQKPMMYECN-SFHVURJKSA-N 1 2 376.508 3.536 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@H]1c1ccc(Cl)cc1 ZINC001121714695 934745789 /nfs/dbraw/zinc/74/57/89/934745789.db2.gz BICUDQZSLRDICZ-KRWDZBQOSA-N 1 2 382.899 3.783 20 30 GHEDLO C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC[N@H+]2C)n1Cc1cc(C)on1 ZINC001123797650 935290353 /nfs/dbraw/zinc/29/03/53/935290353.db2.gz OTTIKACHWHFPFU-FQEVSTJZSA-N 1 2 392.507 3.582 20 30 GHEDLO C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC[N@@H+]2C)n1Cc1cc(C)on1 ZINC001123797650 935290355 /nfs/dbraw/zinc/29/03/55/935290355.db2.gz OTTIKACHWHFPFU-FQEVSTJZSA-N 1 2 392.507 3.582 20 30 GHEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000210816924 935374534 /nfs/dbraw/zinc/37/45/34/935374534.db2.gz CMOHTZSRBHLUML-HMMYKYKNSA-N 1 2 396.560 3.536 20 30 GHEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@H+]1CCCN(c2nccs2)CC1 ZINC000210816924 935374542 /nfs/dbraw/zinc/37/45/42/935374542.db2.gz CMOHTZSRBHLUML-HMMYKYKNSA-N 1 2 396.560 3.536 20 30 GHEDLO CC(C)(C)OC(=O)NCC[N@H+](CCc1ccccc1)Cc1ccncc1C#N ZINC000828477090 935640138 /nfs/dbraw/zinc/64/01/38/935640138.db2.gz FSFXTPDUAWSHNJ-UHFFFAOYSA-N 1 2 380.492 3.523 20 30 GHEDLO CC(C)(C)OC(=O)NCC[N@@H+](CCc1ccccc1)Cc1ccncc1C#N ZINC000828477090 935640143 /nfs/dbraw/zinc/64/01/43/935640143.db2.gz FSFXTPDUAWSHNJ-UHFFFAOYSA-N 1 2 380.492 3.523 20 30 GHEDLO Cc1cccc(C)c1[C@@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000545499051 1015950376 /nfs/dbraw/zinc/95/03/76/1015950376.db2.gz LTRGAMYMLOQWBO-LJQANCHMSA-N 1 2 376.504 3.764 20 30 GHEDLO N#Cc1cccc(CNC(=O)C[NH+]2CCC(=Cc3ccc(F)c(F)c3)CC2)c1 ZINC000469469159 1016573525 /nfs/dbraw/zinc/57/35/25/1016573525.db2.gz RRRODLKFXSWRQC-UHFFFAOYSA-N 1 2 381.426 3.632 20 30 GHEDLO N#Cc1cc(C(F)(F)F)ccc1OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001226999818 1032228472 /nfs/dbraw/zinc/22/84/72/1032228472.db2.gz ZJCYRXPHOVBBJM-SFHVURJKSA-N 1 2 376.378 3.857 20 30 GHEDLO N#Cc1cc(C(F)(F)F)ccc1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001226999818 1032228483 /nfs/dbraw/zinc/22/84/83/1032228483.db2.gz ZJCYRXPHOVBBJM-SFHVURJKSA-N 1 2 376.378 3.857 20 30 GHEDLO C=CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1c(Cl)ccc(C)c1Cl)C2 ZINC001277230425 1032511901 /nfs/dbraw/zinc/51/19/01/1032511901.db2.gz WKHCGBWPVUJSGM-LJQANCHMSA-N 1 2 383.319 3.539 20 30 GHEDLO C=CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1c(Cl)ccc(C)c1Cl)C2 ZINC001277230425 1032511909 /nfs/dbraw/zinc/51/19/09/1032511909.db2.gz WKHCGBWPVUJSGM-LJQANCHMSA-N 1 2 383.319 3.539 20 30 GHEDLO Cc1nc(O[C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(C#N)c(C)c1Cl ZINC001227828571 1032637792 /nfs/dbraw/zinc/63/77/92/1032637792.db2.gz RZIBFUGCBXHJKD-VQIMIIECSA-N 1 2 385.895 3.892 20 30 GHEDLO Cc1nc(O[C@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(C#N)c(C)c1Cl ZINC001227828571 1032637802 /nfs/dbraw/zinc/63/78/02/1032637802.db2.gz RZIBFUGCBXHJKD-VQIMIIECSA-N 1 2 385.895 3.892 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N(C)Cc2cc(C#N)cs2)C[C@H](C)O1 ZINC000929768075 1017738741 /nfs/dbraw/zinc/73/87/41/1017738741.db2.gz HGJMINVDBPZAEA-IYBDPMFKSA-N 1 2 398.532 3.893 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N(C)Cc2cc(C#N)cs2)C[C@H](C)O1 ZINC000929768075 1017738752 /nfs/dbraw/zinc/73/87/52/1017738752.db2.gz HGJMINVDBPZAEA-IYBDPMFKSA-N 1 2 398.532 3.893 20 30 GHEDLO CC(=O)c1c(C)cc(C)c(C[NH+]2CCN(c3snc(C)c3C#N)CC2)c1C ZINC000572923661 1019817451 /nfs/dbraw/zinc/81/74/51/1019817451.db2.gz IHJDSKZBHQWPAL-UHFFFAOYSA-N 1 2 382.533 3.773 20 30 GHEDLO N#Cc1cccnc1OC1CCC([NH2+][C@H](c2ncn[nH]2)C2CCCCC2)CC1 ZINC000577041103 1020111465 /nfs/dbraw/zinc/11/14/65/1020111465.db2.gz OKWOSGVXDIWZMR-ACBHZAAOSA-N 1 2 380.496 3.673 20 30 GHEDLO Cn1cc(C[N@H+](C)Cc2ccn(-c3ccccc3)n2)c(-c2ccc(C#N)cc2)n1 ZINC000779000495 1020163094 /nfs/dbraw/zinc/16/30/94/1020163094.db2.gz YMTZRTLRWOFZNV-UHFFFAOYSA-N 1 2 382.471 3.776 20 30 GHEDLO Cn1cc(C[N@@H+](C)Cc2ccn(-c3ccccc3)n2)c(-c2ccc(C#N)cc2)n1 ZINC000779000495 1020163102 /nfs/dbraw/zinc/16/31/02/1020163102.db2.gz YMTZRTLRWOFZNV-UHFFFAOYSA-N 1 2 382.471 3.776 20 30 GHEDLO C[NH+](C)Cc1cnc(/C=C2\Cc3c(ccc(F)c3Br)C2=O)s1 ZINC000834450793 1021186662 /nfs/dbraw/zinc/18/66/62/1021186662.db2.gz DZLHUCCPAKENHN-RMKNXTFCSA-N 1 2 381.270 3.929 20 30 GHEDLO Cc1cc(Br)c(O)c(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000800528587 1021315276 /nfs/dbraw/zinc/31/52/76/1021315276.db2.gz RBNMMPHCSRXTKR-UHFFFAOYSA-N 1 2 386.293 3.916 20 30 GHEDLO COC(=O)[C@@H]1CC[N@H+](Cc2sc(N)c(C#N)c2Cl)[C@@H](c2ccccc2)C1 ZINC001141113058 1023529726 /nfs/dbraw/zinc/52/97/26/1023529726.db2.gz AXIRCVOWBAARPL-UKRRQHHQSA-N 1 2 389.908 3.982 20 30 GHEDLO COC(=O)[C@@H]1CC[N@@H+](Cc2sc(N)c(C#N)c2Cl)[C@@H](c2ccccc2)C1 ZINC001141113058 1023529733 /nfs/dbraw/zinc/52/97/33/1023529733.db2.gz AXIRCVOWBAARPL-UKRRQHHQSA-N 1 2 389.908 3.982 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1ccnc(-c2ccc(F)cc2)c1 ZINC001141119226 1023540954 /nfs/dbraw/zinc/54/09/54/1023540954.db2.gz MLRYLVAQKDYCBD-QFIPXVFZSA-N 1 2 392.478 3.923 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccnc(-c2ccc(F)cc2)c1 ZINC001141119226 1023540957 /nfs/dbraw/zinc/54/09/57/1023540957.db2.gz MLRYLVAQKDYCBD-QFIPXVFZSA-N 1 2 392.478 3.923 20 30 GHEDLO C#CC[C@@H](NC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)c1ccccc1 ZINC000757059012 1023923474 /nfs/dbraw/zinc/92/34/74/1023923474.db2.gz MFALUTKUZSZBIX-HXUWFJFHSA-N 1 2 391.519 3.505 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@@H](F)[C@]2(CC[N@H+](Cc3ccc(F)cc3C#N)C2)C1 ZINC001141163487 1023989949 /nfs/dbraw/zinc/98/99/49/1023989949.db2.gz GQUAZHQLJIHDFS-NQIIRXRSSA-N 1 2 391.462 3.868 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@@H](F)[C@]2(CC[N@@H+](Cc3ccc(F)cc3C#N)C2)C1 ZINC001141163487 1023989956 /nfs/dbraw/zinc/98/99/56/1023989956.db2.gz GQUAZHQLJIHDFS-NQIIRXRSSA-N 1 2 391.462 3.868 20 30 GHEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC(F)(F)[C@@]2(CCN(c3ccccn3)C2)C1 ZINC001141165903 1023995463 /nfs/dbraw/zinc/99/54/63/1023995463.db2.gz OXXAMYMMAHXQOD-FQEVSTJZSA-N 1 2 386.421 3.830 20 30 GHEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC(F)(F)[C@@]2(CCN(c3ccccn3)C2)C1 ZINC001141165903 1023995469 /nfs/dbraw/zinc/99/54/69/1023995469.db2.gz OXXAMYMMAHXQOD-FQEVSTJZSA-N 1 2 386.421 3.830 20 30 GHEDLO CC(C)(C)[NH+]1CC(NC(F)(F)c2cc(-c3ccc(C#N)cc3)nnc2Cl)C1 ZINC001162225327 1025678297 /nfs/dbraw/zinc/67/82/97/1025678297.db2.gz KFSXBTNVZJRMJK-UHFFFAOYSA-N 1 2 391.853 3.790 20 30 GHEDLO C=CCOc1ccccc1CN1C[C@@H]([N@H+](C)Cc2ccco2)[C@H]2OCCC[C@H]21 ZINC001139032284 1025803208 /nfs/dbraw/zinc/80/32/08/1025803208.db2.gz JDBGYOWXKSUQIU-XPNTWCBSSA-N 1 2 382.504 3.708 20 30 GHEDLO C=CCOc1ccccc1CN1C[C@@H]([N@@H+](C)Cc2ccco2)[C@H]2OCCC[C@H]21 ZINC001139032284 1025803223 /nfs/dbraw/zinc/80/32/23/1025803223.db2.gz JDBGYOWXKSUQIU-XPNTWCBSSA-N 1 2 382.504 3.708 20 30 GHEDLO C#C[C@@H]([NH2+]Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)[C@@H]1CCCO1 ZINC000839564613 1026062935 /nfs/dbraw/zinc/06/29/35/1026062935.db2.gz SBXFUSFLWJFWCM-CVEARBPZSA-N 1 2 399.903 3.988 20 30 GHEDLO COc1ccc(C[NH+]2CCN(Cc3ccc(-c4cc(C#N)ccn4)cc3)CC2)cc1 ZINC001139407081 1026280908 /nfs/dbraw/zinc/28/09/08/1026280908.db2.gz OZRKEKYVBLQYMZ-UHFFFAOYSA-N 1 2 398.510 3.947 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(-c2ccsc2)nc1 ZINC001139499440 1026357648 /nfs/dbraw/zinc/35/76/48/1026357648.db2.gz MXBWFIFYOVDGSJ-HXUWFJFHSA-N 1 2 380.517 3.846 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(-c2ccsc2)nc1 ZINC001139499440 1026357659 /nfs/dbraw/zinc/35/76/59/1026357659.db2.gz MXBWFIFYOVDGSJ-HXUWFJFHSA-N 1 2 380.517 3.846 20 30 GHEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1Cc1ccc2c(c1)Cc1ccccc1-2 ZINC001141735077 1026379744 /nfs/dbraw/zinc/37/97/44/1026379744.db2.gz UNAAGFMJNQOQMP-QHCPKHFHSA-N 1 2 386.499 3.688 20 30 GHEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1Cc1ccc2c(c1)Cc1ccccc1-2 ZINC001141735077 1026379757 /nfs/dbraw/zinc/37/97/57/1026379757.db2.gz UNAAGFMJNQOQMP-QHCPKHFHSA-N 1 2 386.499 3.688 20 30 GHEDLO COC[C@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)Cc2cn(CC3CCCC3)nc21 ZINC001139526691 1026385407 /nfs/dbraw/zinc/38/54/07/1026385407.db2.gz GCWKNWLQBRRZQW-HXUWFJFHSA-N 1 2 382.483 3.830 20 30 GHEDLO COC[C@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)Cc2cn(CC3CCCC3)nc21 ZINC001139526691 1026385420 /nfs/dbraw/zinc/38/54/20/1026385420.db2.gz GCWKNWLQBRRZQW-HXUWFJFHSA-N 1 2 382.483 3.830 20 30 GHEDLO CC[N@@H+](Cc1cccc(Cl)c1C#N)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001139693256 1026544241 /nfs/dbraw/zinc/54/42/41/1026544241.db2.gz WOCUGJKNUYJOOM-HXUWFJFHSA-N 1 2 383.923 3.935 20 30 GHEDLO CC[N@H+](Cc1cccc(Cl)c1C#N)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001139693256 1026544244 /nfs/dbraw/zinc/54/42/44/1026544244.db2.gz WOCUGJKNUYJOOM-HXUWFJFHSA-N 1 2 383.923 3.935 20 30 GHEDLO C=CCn1cc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2Cc2ccccc2)cn1 ZINC001139771407 1026606000 /nfs/dbraw/zinc/60/60/00/1026606000.db2.gz ZHPKNQFAEKVICX-NRFANRHFSA-N 1 2 396.535 3.733 20 30 GHEDLO C=CCn1cc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2Cc2ccccc2)cn1 ZINC001139771407 1026606005 /nfs/dbraw/zinc/60/60/05/1026606005.db2.gz ZHPKNQFAEKVICX-NRFANRHFSA-N 1 2 396.535 3.733 20 30 GHEDLO Cc1[nH+]cc(Nc2sc3c(c2C#N)CCN(C(=O)OC(C)(C)C)C3)cc1N ZINC001210286902 1027427186 /nfs/dbraw/zinc/42/71/86/1027427186.db2.gz GLJBSEOEWDLXAZ-UHFFFAOYSA-N 1 2 385.493 3.942 20 30 GHEDLO C#CCCCCC(=O)N(CCCn1cc[nH+]c1)c1ccc(Br)cn1 ZINC000841349042 1028468487 /nfs/dbraw/zinc/46/84/87/1028468487.db2.gz QPUTZQXQCWKPNE-UHFFFAOYSA-N 1 2 389.297 3.658 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1CCN(c2[nH+]cccc2Nc2cc(C#N)ccc2F)C1 ZINC001214596252 1028811508 /nfs/dbraw/zinc/81/15/08/1028811508.db2.gz WOBJGZTWERFZDY-OAHLLOKOSA-N 1 2 397.454 3.939 20 30 GHEDLO N#Cc1ccnnc1NC(=O)CC1=C(c2ccccc2)[NH2+]C(c2ccccc2)S1 ZINC001142483045 1028982778 /nfs/dbraw/zinc/98/27/78/1028982778.db2.gz IWMXTUPYGWANLF-UHFFFAOYSA-N 1 2 398.471 3.920 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(OC)c(O)c1Cl ZINC001276736671 1029582370 /nfs/dbraw/zinc/58/23/70/1029582370.db2.gz XKQKURDKWPWQMO-HXUWFJFHSA-N 1 2 378.900 3.587 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(OC)c(O)c1Cl ZINC001276736671 1029582377 /nfs/dbraw/zinc/58/23/77/1029582377.db2.gz XKQKURDKWPWQMO-HXUWFJFHSA-N 1 2 378.900 3.587 20 30 GHEDLO N#Cc1cc(F)cc(-c2noc(-c3cc(-n4cc[nH+]c4)c(F)cc3[N+](=O)[O-])n2)c1 ZINC001216999963 1030069686 /nfs/dbraw/zinc/06/96/86/1030069686.db2.gz HOSGFJYMRLXAFP-UHFFFAOYSA-N 1 2 394.297 3.647 20 30 GHEDLO C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1nc(Cl)ccc1C(F)(F)F)CC2 ZINC001276922677 1030766352 /nfs/dbraw/zinc/76/63/52/1030766352.db2.gz MKYHGAMGHHLMNX-CYBMUJFWSA-N 1 2 387.833 3.658 20 30 GHEDLO C[C@@]1(C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)COCC[NH2+]1 ZINC001218554925 1030985732 /nfs/dbraw/zinc/98/57/32/1030985732.db2.gz VIKQDUPWSFQEAE-QHCPKHFHSA-N 1 2 387.439 3.802 20 30 GHEDLO N#CCCCN1CCC2(CC[NH+](Cc3cncc(Cl)c3Cl)CC2)C1=O ZINC001277005002 1031158375 /nfs/dbraw/zinc/15/83/75/1031158375.db2.gz FVEFZVJCBZJGDP-UHFFFAOYSA-N 1 2 381.307 3.507 20 30 GHEDLO N#Cc1ccsc1NC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001219353072 1031372230 /nfs/dbraw/zinc/37/22/30/1031372230.db2.gz XNNHRTPRIWVWMV-UHFFFAOYSA-N 1 2 394.422 3.988 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[NH+](Cc2cccc(O[C@@H]3CC[C@@H](C#N)C3)c2)CC1 ZINC001226470085 1031969832 /nfs/dbraw/zinc/96/98/32/1031969832.db2.gz LKLQQVHBTPKXFK-YLJYHZDGSA-N 1 2 385.508 3.810 20 30 GHEDLO CCOC(=O)[C@H]1CCC[C@H]1Oc1nc(C)c(-c2ccc3[nH+]ccn3c2)cc1C#N ZINC001229765601 1033696134 /nfs/dbraw/zinc/69/61/34/1033696134.db2.gz FKMFBVXQJKRVIK-PKOBYXMFSA-N 1 2 390.443 3.687 20 30 GHEDLO CC(=O)c1c(C)cc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1C ZINC001208669359 1034976800 /nfs/dbraw/zinc/97/68/00/1034976800.db2.gz KZIPUBBZKAGSEP-UHFFFAOYSA-N 1 2 390.487 3.727 20 30 GHEDLO N#Cc1cccc(N2C[C@]3(CC[N@@H+](Cc4cccc(Cl)c4O)C3)CC2=O)c1 ZINC001231911109 1034985362 /nfs/dbraw/zinc/98/53/62/1034985362.db2.gz BRKMBSDVQGLTRA-OAQYLSRUSA-N 1 2 381.863 3.546 20 30 GHEDLO N#Cc1cccc(N2C[C@]3(CC[N@H+](Cc4cccc(Cl)c4O)C3)CC2=O)c1 ZINC001231911109 1034985366 /nfs/dbraw/zinc/98/53/66/1034985366.db2.gz BRKMBSDVQGLTRA-OAQYLSRUSA-N 1 2 381.863 3.546 20 30 GHEDLO Cn1ncc2c1C[N@H+](Cc1ccc(C#N)c(Cl)c1)C[C@H]2COc1cccnc1 ZINC001232113685 1035102689 /nfs/dbraw/zinc/10/26/89/1035102689.db2.gz ZCTGCIZSIPESCO-KRWDZBQOSA-N 1 2 393.878 3.519 20 30 GHEDLO Cn1ncc2c1C[N@@H+](Cc1ccc(C#N)c(Cl)c1)C[C@H]2COc1cccnc1 ZINC001232113685 1035102692 /nfs/dbraw/zinc/10/26/92/1035102692.db2.gz ZCTGCIZSIPESCO-KRWDZBQOSA-N 1 2 393.878 3.519 20 30 GHEDLO Cc1ccc(C#N)c(NCc2c[nH+]cn2Cc2ccccc2Br)n1 ZINC001161519635 1035248007 /nfs/dbraw/zinc/24/80/07/1035248007.db2.gz ISJFXZPLJGFVPG-UHFFFAOYSA-N 1 2 382.265 3.881 20 30 GHEDLO N#Cc1c(F)ccnc1NCc1c[nH+]cn1Cc1ccccc1Br ZINC001161521253 1035248709 /nfs/dbraw/zinc/24/87/09/1035248709.db2.gz FWQFRMHTHHEVJE-UHFFFAOYSA-N 1 2 386.228 3.712 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1c(C)nc3ccccn31)CC2 ZINC001209645628 1035341525 /nfs/dbraw/zinc/34/15/25/1035341525.db2.gz MVAVHRHJBQHKOD-UHFFFAOYSA-N 1 2 391.519 3.510 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1c(C)nc3ccccn31)CC2 ZINC001209645628 1035341530 /nfs/dbraw/zinc/34/15/30/1035341530.db2.gz MVAVHRHJBQHKOD-UHFFFAOYSA-N 1 2 391.519 3.510 20 30 GHEDLO N#Cc1cccc(Oc2nc(-c3cccc(C[NH+]4CCOCC4)c3)ncc2F)c1 ZINC001241816365 1035709601 /nfs/dbraw/zinc/70/96/01/1035709601.db2.gz SSCMHSJXZGNNMU-UHFFFAOYSA-N 1 2 390.418 3.779 20 30 GHEDLO C=CCCNC(=S)NC1CC[NH+](Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC001247679691 1038314192 /nfs/dbraw/zinc/31/41/92/1038314192.db2.gz OOCMKNYHRSSWAV-UHFFFAOYSA-N 1 2 389.462 3.849 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2cc(Br)c(C)s2)C1=O ZINC001277680410 1038319657 /nfs/dbraw/zinc/31/96/57/1038319657.db2.gz YLDQEPPXSDUZDD-KRWDZBQOSA-N 1 2 383.355 3.962 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2cc(Br)c(C)s2)C1=O ZINC001277680410 1038319665 /nfs/dbraw/zinc/31/96/65/1038319665.db2.gz YLDQEPPXSDUZDD-KRWDZBQOSA-N 1 2 383.355 3.962 20 30 GHEDLO Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@H+](Cc2cc(C#N)ccc2O)C3)c1 ZINC001232677609 1038476150 /nfs/dbraw/zinc/47/61/50/1038476150.db2.gz MVYKVVDWHZVKNW-GGAORHGYSA-N 1 2 377.488 3.786 20 30 GHEDLO Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@@H+](Cc2cc(C#N)ccc2O)C3)c1 ZINC001232677609 1038476156 /nfs/dbraw/zinc/47/61/56/1038476156.db2.gz MVYKVVDWHZVKNW-GGAORHGYSA-N 1 2 377.488 3.786 20 30 GHEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C[C@@H]1C(F)(F)F ZINC001232845209 1038596119 /nfs/dbraw/zinc/59/61/19/1038596119.db2.gz PDZSDYMZPADMIA-KBPBESRZSA-N 1 2 389.443 3.897 20 30 GHEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1C(F)(F)F ZINC001232845209 1038596122 /nfs/dbraw/zinc/59/61/22/1038596122.db2.gz PDZSDYMZPADMIA-KBPBESRZSA-N 1 2 389.443 3.897 20 30 GHEDLO N#Cc1cccc(C[NH+]2CCC(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)n1 ZINC001232928083 1038713269 /nfs/dbraw/zinc/71/32/69/1038713269.db2.gz MRJYQLOUVSZXNF-UHFFFAOYSA-N 1 2 389.377 3.947 20 30 GHEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(F)c(F)c1Br ZINC001277754011 1038804363 /nfs/dbraw/zinc/80/43/63/1038804363.db2.gz YMARLMAHQZJTQN-HUUCEWRRSA-N 1 2 399.279 3.869 20 30 GHEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(F)c(F)c1Br ZINC001277754011 1038804397 /nfs/dbraw/zinc/80/43/97/1038804397.db2.gz YMARLMAHQZJTQN-HUUCEWRRSA-N 1 2 399.279 3.869 20 30 GHEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1ccc(Cl)c(Br)n1)CC2 ZINC001233089642 1038860648 /nfs/dbraw/zinc/86/06/48/1038860648.db2.gz MFXXBBOEZVELLT-UHFFFAOYSA-N 1 2 398.732 3.641 20 30 GHEDLO CN(C)c1ccc(C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)c(F)c1C#N ZINC001233096624 1038872540 /nfs/dbraw/zinc/87/25/40/1038872540.db2.gz JIYHJFBMBQPTRM-UHFFFAOYSA-N 1 2 383.442 3.997 20 30 GHEDLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1ccc(N(C)C)c(C#N)c1F ZINC001233102705 1038885401 /nfs/dbraw/zinc/88/54/01/1038885401.db2.gz KFXRFGWKPXGTRU-YOEHRIQHSA-N 1 2 390.503 3.641 20 30 GHEDLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1ccc(N(C)C)c(C#N)c1F ZINC001233102705 1038885427 /nfs/dbraw/zinc/88/54/27/1038885427.db2.gz KFXRFGWKPXGTRU-YOEHRIQHSA-N 1 2 390.503 3.641 20 30 GHEDLO COc1cc(Br)cc(C[NH+]2CCN(c3cccc(C#N)c3)CC2)c1 ZINC001233218974 1038981386 /nfs/dbraw/zinc/98/13/86/1038981386.db2.gz VISCXNLWRVZLKK-UHFFFAOYSA-N 1 2 386.293 3.652 20 30 GHEDLO N#Cc1ccc(CN2CC[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)c(O)c1 ZINC001233388100 1039210564 /nfs/dbraw/zinc/21/05/64/1039210564.db2.gz LQGUJNCPXSLDRB-IBGZPJMESA-N 1 2 375.394 3.513 20 30 GHEDLO N#Cc1ccc(CN2CC[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)c(O)c1 ZINC001233388100 1039210569 /nfs/dbraw/zinc/21/05/69/1039210569.db2.gz LQGUJNCPXSLDRB-IBGZPJMESA-N 1 2 375.394 3.513 20 30 GHEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1cc(Br)ncc1Cl)CC2 ZINC001233425809 1039295245 /nfs/dbraw/zinc/29/52/45/1039295245.db2.gz MRPPDUOIUTWAAI-UHFFFAOYSA-N 1 2 398.732 3.641 20 30 GHEDLO C=CCO[C@@H]1CC[N@@H+](CC(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccco2)C1 ZINC001254556958 1040328480 /nfs/dbraw/zinc/32/84/80/1040328480.db2.gz NOCOFOQROMGJEL-TZIWHRDSSA-N 1 2 393.487 3.543 20 30 GHEDLO C=CCO[C@@H]1CC[N@H+](CC(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccco2)C1 ZINC001254556958 1040328500 /nfs/dbraw/zinc/32/85/00/1040328500.db2.gz NOCOFOQROMGJEL-TZIWHRDSSA-N 1 2 393.487 3.543 20 30 GHEDLO C=CCOC[C@H]1C[N@@H+](Cc2cnc(C3CC3)c(C)c2)Cc2nnn(CC3CC3)c21 ZINC001238619525 1042661324 /nfs/dbraw/zinc/66/13/24/1042661324.db2.gz VEUJZAYFRIBYBY-HXUWFJFHSA-N 1 2 393.535 3.571 20 30 GHEDLO C=CCOC[C@H]1C[N@H+](Cc2cnc(C3CC3)c(C)c2)Cc2nnn(CC3CC3)c21 ZINC001238619525 1042661327 /nfs/dbraw/zinc/66/13/27/1042661327.db2.gz VEUJZAYFRIBYBY-HXUWFJFHSA-N 1 2 393.535 3.571 20 30 GHEDLO N#Cc1ccc(NC(=S)Nc2ccc(O[C@@H]3CC[NH2+]CC3(F)F)cc2)cc1 ZINC001239352812 1042812323 /nfs/dbraw/zinc/81/23/23/1042812323.db2.gz UYPZGJMSLDIOFR-QGZVFWFLSA-N 1 2 388.443 3.743 20 30 GHEDLO C=CC[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](c2ccccc2)C1)C(=O)OC ZINC001256936435 1043760359 /nfs/dbraw/zinc/76/03/59/1043760359.db2.gz GAGFLXHODOIGIZ-FHWLQOOXSA-N 1 2 388.508 3.835 20 30 GHEDLO CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCNc1cccc[nH+]1 ZINC001294425613 1044619109 /nfs/dbraw/zinc/61/91/09/1044619109.db2.gz GODCLRYPSJTIDX-UHFFFAOYSA-N 1 2 375.480 3.560 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1[C@H](C)Cc1ccc(Cl)cc1Cl ZINC001258681252 1044708856 /nfs/dbraw/zinc/70/88/56/1044708856.db2.gz JXSOQZPWALBFCS-FZKQIMNGSA-N 1 2 395.334 3.855 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1[C@H](C)Cc1ccc(Cl)cc1Cl ZINC001258681252 1044708869 /nfs/dbraw/zinc/70/88/69/1044708869.db2.gz JXSOQZPWALBFCS-FZKQIMNGSA-N 1 2 395.334 3.855 20 30 GHEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC[C@H](CC#N)C1 ZINC001262977978 1046463486 /nfs/dbraw/zinc/46/34/86/1046463486.db2.gz TWZKMOVIJZRTFW-UYAOXDASSA-N 1 2 378.524 3.787 20 30 GHEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC[C@H](CC#N)C1 ZINC001262977978 1046463494 /nfs/dbraw/zinc/46/34/94/1046463494.db2.gz TWZKMOVIJZRTFW-UYAOXDASSA-N 1 2 378.524 3.787 20 30 GHEDLO C[C@@H](C#N)CN(C)c1nnc(C2CCCC2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001301966237 1046765684 /nfs/dbraw/zinc/76/56/84/1046765684.db2.gz SUILDWMEOAXGEL-KRWDZBQOSA-N 1 2 393.539 3.575 20 30 GHEDLO N#C[C@H](CCc1ccccc1)C(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC001303367821 1047373218 /nfs/dbraw/zinc/37/32/18/1047373218.db2.gz BCBQUANXWDBUFO-QHCPKHFHSA-N 1 2 398.510 3.977 20 30 GHEDLO CCCCCCCCS(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1scnc1C ZINC001279759752 1047943557 /nfs/dbraw/zinc/94/35/57/1047943557.db2.gz VYVGPVRBVMEVIA-HDICACEKSA-N 1 2 399.626 3.790 20 30 GHEDLO CCCCCCCCS(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1scnc1C ZINC001279759752 1047943564 /nfs/dbraw/zinc/94/35/64/1047943564.db2.gz VYVGPVRBVMEVIA-HDICACEKSA-N 1 2 399.626 3.790 20 30 GHEDLO N#CC1(NC(=O)[C@@H]2CCC3(C2)CC[NH+](Cc2csc(Cl)n2)CC3)CCC1 ZINC001279857418 1047970952 /nfs/dbraw/zinc/97/09/52/1047970952.db2.gz WXIQNRSVHSWAKL-CQSZACIVSA-N 1 2 392.956 3.741 20 30 GHEDLO CC(C)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCc1cn2ccccc2[nH+]1 ZINC001287180251 1048627886 /nfs/dbraw/zinc/62/78/86/1048627886.db2.gz YWMYQBPFEWDLJF-UHFFFAOYSA-N 1 2 399.502 3.800 20 30 GHEDLO CSc1ccc(CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)cc1C#N ZINC001288803107 1049233094 /nfs/dbraw/zinc/23/30/94/1049233094.db2.gz NRWHAWLUOGZXLJ-FQEVSTJZSA-N 1 2 397.569 3.686 20 30 GHEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC001307859038 1049641860 /nfs/dbraw/zinc/64/18/60/1049641860.db2.gz FKZWFEKVOGQHPX-HNNXBMFYSA-N 1 2 384.443 3.586 20 30 GHEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC001307859038 1049641865 /nfs/dbraw/zinc/64/18/65/1049641865.db2.gz FKZWFEKVOGQHPX-HNNXBMFYSA-N 1 2 384.443 3.586 20 30 GHEDLO Cc1cccc(CCCn2c(Nc3ccn(C)n3)nnc2-c2cccc(C#N)c2)[nH+]1 ZINC001290010123 1049709002 /nfs/dbraw/zinc/70/90/02/1049709002.db2.gz WTPCXTYAVACQIG-UHFFFAOYSA-N 1 2 398.474 3.630 20 30 GHEDLO C#CCOc1cccc(Cl)c1C[N@@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC001308560545 1050008722 /nfs/dbraw/zinc/00/87/22/1050008722.db2.gz HIMFSFJBRRNOJH-UHFFFAOYSA-N 1 2 388.939 3.967 20 30 GHEDLO C#CCOc1cccc(Cl)c1C[N@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC001308560545 1050008726 /nfs/dbraw/zinc/00/87/26/1050008726.db2.gz HIMFSFJBRRNOJH-UHFFFAOYSA-N 1 2 388.939 3.967 20 30 GHEDLO COC(=O)[C@@H](Cc1ccccc1Br)[NH2+]C1CCC(C)(C#N)CC1 ZINC001308966703 1050229728 /nfs/dbraw/zinc/22/97/28/1050229728.db2.gz YNWCWLYTOYNGMG-BFHRDPOASA-N 1 2 379.298 3.595 20 30 GHEDLO C#CCCOc1ccc(C(=O)N(CC)CC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC001327979930 1050344909 /nfs/dbraw/zinc/34/49/09/1050344909.db2.gz JHAHWSCKICHGER-UHFFFAOYSA-N 1 2 391.515 3.862 20 30 GHEDLO C=CC[C@@H]1N(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCCC1(C)C ZINC001311347073 1052044697 /nfs/dbraw/zinc/04/46/97/1052044697.db2.gz CTTVJMNAPXXXTQ-RTWAWAEBSA-N 1 2 385.552 3.664 20 30 GHEDLO C=CC[C@@H]1N(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCCC1(C)C ZINC001311347073 1052044712 /nfs/dbraw/zinc/04/47/12/1052044712.db2.gz CTTVJMNAPXXXTQ-RTWAWAEBSA-N 1 2 385.552 3.664 20 30 GHEDLO Cc1cccc(CCCn2c(-c3ccccc3)nnc2N2CC[C@@](F)(C#N)C2)[nH+]1 ZINC001492525669 1052052798 /nfs/dbraw/zinc/05/27/98/1052052798.db2.gz GLZWFZZXYWKAOF-JOCHJYFZSA-N 1 2 390.466 3.723 20 30 GHEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001313004163 1052931226 /nfs/dbraw/zinc/93/12/26/1052931226.db2.gz FEPPCEPOUAAEEP-MOPGFXCFSA-N 1 2 385.556 3.875 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCc2sccc2C1 ZINC001342323988 1053108911 /nfs/dbraw/zinc/10/89/11/1053108911.db2.gz KWWSUOGWLLHFRW-QGZVFWFLSA-N 1 2 382.537 3.920 20 30 GHEDLO CN(C)c1ccc(Cn2c(C3CCCC3)nnc2N2CCC(CC#N)CC2)c[nH+]1 ZINC001314661457 1053555134 /nfs/dbraw/zinc/55/51/34/1053555134.db2.gz NHFKVXLEMRVWRE-UHFFFAOYSA-N 1 2 393.539 3.575 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCO[C@H](CCC)C1 ZINC001343494905 1053810877 /nfs/dbraw/zinc/81/08/77/1053810877.db2.gz KDHFYCJHFNEFOT-RTBURBONSA-N 1 2 386.544 3.692 20 30 GHEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1Cc2ccccc2[C@@H]1C ZINC001343780173 1054022775 /nfs/dbraw/zinc/02/27/75/1054022775.db2.gz KPGPYTCXFQNBDT-DSKINZAPSA-N 1 2 393.535 3.861 20 30 GHEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1Cc2ccccc2[C@@H]1C ZINC001343780173 1054022791 /nfs/dbraw/zinc/02/27/91/1054022791.db2.gz KPGPYTCXFQNBDT-DSKINZAPSA-N 1 2 393.535 3.861 20 30 GHEDLO CC(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCc2ccsc2C1 ZINC001345109808 1054905518 /nfs/dbraw/zinc/90/55/18/1054905518.db2.gz IOPRZUAFDHWTEX-UHFFFAOYSA-N 1 2 398.580 3.651 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCC1=NNCCCn1cc[nH+]c1 ZINC000848417046 1057075452 /nfs/dbraw/zinc/07/54/52/1057075452.db2.gz IXFFWAADAKNKHO-IEBWSBKVSA-N 1 2 389.544 3.809 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[C@@H](COc2ccccc2)C1 ZINC001355930364 1057321111 /nfs/dbraw/zinc/32/11/11/1057321111.db2.gz VCGMWISUDYSMJA-UYAOXDASSA-N 1 2 381.524 3.526 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@H](COc2ccccc2)C1 ZINC001355930364 1057321118 /nfs/dbraw/zinc/32/11/18/1057321118.db2.gz VCGMWISUDYSMJA-UYAOXDASSA-N 1 2 381.524 3.526 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N(C)Cc1ccon1 ZINC001356200553 1057425982 /nfs/dbraw/zinc/42/59/82/1057425982.db2.gz UTSIOOXWRRDABH-KRWDZBQOSA-N 1 2 380.496 3.672 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N(C)Cc1ccon1 ZINC001356200553 1057425984 /nfs/dbraw/zinc/42/59/84/1057425984.db2.gz UTSIOOXWRRDABH-KRWDZBQOSA-N 1 2 380.496 3.672 20 30 GHEDLO COC(=O)c1sc2ncc(C(=O)/C=C/c3ccc[nH+]c3N(C)C)cc2c1C ZINC001326691104 1057535695 /nfs/dbraw/zinc/53/56/95/1057535695.db2.gz VCHFUIXIZOSZDG-BQYQJAHWSA-N 1 2 381.457 3.748 20 30 GHEDLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1csc(C#N)c1 ZINC001326814586 1057562866 /nfs/dbraw/zinc/56/28/66/1057562866.db2.gz KRPHBJVGQNMBGH-FOIQADDNSA-N 1 2 382.533 3.696 20 30 GHEDLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1csc(C#N)c1 ZINC001326814586 1057562869 /nfs/dbraw/zinc/56/28/69/1057562869.db2.gz KRPHBJVGQNMBGH-FOIQADDNSA-N 1 2 382.533 3.696 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC(COC)CC1 ZINC001338996286 1058918842 /nfs/dbraw/zinc/91/88/42/1058918842.db2.gz YEJLKQRJNHFXHU-SFHVURJKSA-N 1 2 383.540 3.520 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC(COC)CC1 ZINC001338996286 1058918850 /nfs/dbraw/zinc/91/88/50/1058918850.db2.gz YEJLKQRJNHFXHU-SFHVURJKSA-N 1 2 383.540 3.520 20 30 GHEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCC[C@@H]1c1cccs1 ZINC001339475596 1059240498 /nfs/dbraw/zinc/24/04/98/1059240498.db2.gz NLVOPANKYHWPRK-KSZLIROESA-N 1 2 399.564 3.793 20 30 GHEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCC[C@@H]1c1cccs1 ZINC001339475596 1059240518 /nfs/dbraw/zinc/24/05/18/1059240518.db2.gz NLVOPANKYHWPRK-KSZLIROESA-N 1 2 399.564 3.793 20 30 GHEDLO C[C@@H](c1ccc(Cl)cc1)N(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001339750680 1059438793 /nfs/dbraw/zinc/43/87/93/1059438793.db2.gz QAOUYTIYUBVBQC-HNNXBMFYSA-N 1 2 386.931 3.759 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC[C@H](C(C)(C)O)C1 ZINC001339773791 1059458238 /nfs/dbraw/zinc/45/82/38/1059458238.db2.gz FNCWVQIZTXPTNE-ICSRJNTNSA-N 1 2 397.567 3.644 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC[C@H](C(C)(C)O)C1 ZINC001339773791 1059458247 /nfs/dbraw/zinc/45/82/47/1059458247.db2.gz FNCWVQIZTXPTNE-ICSRJNTNSA-N 1 2 397.567 3.644 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1C[C@H](C)OC2(CCCC2)C1 ZINC001340516966 1059960089 /nfs/dbraw/zinc/96/00/89/1059960089.db2.gz QDRYLVRGMPRUNC-RBUKOAKNSA-N 1 2 398.555 3.834 20 30 GHEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N(CC(F)F)C1CCC1 ZINC001342004229 1060992391 /nfs/dbraw/zinc/99/23/91/1060992391.db2.gz AJAGPPMBKHIXJB-UHFFFAOYSA-N 1 2 392.498 3.571 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N(CC)[C@@H]1CCCOC1 ZINC001342037506 1061014449 /nfs/dbraw/zinc/01/44/49/1061014449.db2.gz SDAZZKXBRBZMFP-RTBURBONSA-N 1 2 386.544 3.692 20 30 GHEDLO C=CCn1cnn(C[N@H+]2CCC[C@@H](C)[C@@H]2CCNC(=O)OC(C)(C)C)c1=S ZINC001346128197 1061385246 /nfs/dbraw/zinc/38/52/46/1061385246.db2.gz PWGJFYZDJUNCFD-CVEARBPZSA-N 1 2 395.573 3.573 20 30 GHEDLO C=CCn1cnn(C[N@@H+]2CCC[C@@H](C)[C@@H]2CCNC(=O)OC(C)(C)C)c1=S ZINC001346128197 1061385262 /nfs/dbraw/zinc/38/52/62/1061385262.db2.gz PWGJFYZDJUNCFD-CVEARBPZSA-N 1 2 395.573 3.573 20 30 GHEDLO C[C@H]([NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1nc(-c2nc[nH]n2)no1 ZINC001459931092 1064281057 /nfs/dbraw/zinc/28/10/57/1064281057.db2.gz HYAGPYWZHSRJSE-KBPBESRZSA-N 1 2 385.431 3.805 20 30 GHEDLO C[C@@H]([NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1nc(-c2nc[nH]n2)no1 ZINC001459931105 1064281448 /nfs/dbraw/zinc/28/14/48/1064281448.db2.gz HYAGPYWZHSRJSE-ZIAGYGMSSA-N 1 2 385.431 3.805 20 30 GHEDLO N#Cc1ccc(OCCC[N@H+]2CCOc3c(Br)cccc3C2)cc1 ZINC001460054098 1064380571 /nfs/dbraw/zinc/38/05/71/1064380571.db2.gz VAIJVAVXZXGNIV-UHFFFAOYSA-N 1 2 387.277 3.984 20 30 GHEDLO N#Cc1ccc(OCCC[N@@H+]2CCOc3c(Br)cccc3C2)cc1 ZINC001460054098 1064380584 /nfs/dbraw/zinc/38/05/84/1064380584.db2.gz VAIJVAVXZXGNIV-UHFFFAOYSA-N 1 2 387.277 3.984 20 30 GHEDLO C=C1CCN(c2nnc([C@@H](CC(C)C)n3cc[nH+]c3)n2Cc2cc(C)on2)CC1 ZINC001352118725 1064853983 /nfs/dbraw/zinc/85/39/83/1064853983.db2.gz ZMFXLCGMNUZAFD-LJQANCHMSA-N 1 2 395.511 3.611 20 30 GHEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3[nH]c4ccccc4c3C#N)CC2)c1 ZINC001464998978 1065317660 /nfs/dbraw/zinc/31/76/60/1065317660.db2.gz NTNOEDVKHIZHPC-MRXNPFEDSA-N 1 2 388.471 3.567 20 30 GHEDLO Cn1cc[nH+]c1CCNC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC001352878772 1065404201 /nfs/dbraw/zinc/40/42/01/1065404201.db2.gz UGKZQJWZAWZSOX-UHFFFAOYSA-N 1 2 397.294 3.682 20 30 GHEDLO CCCCCCCCCCNC(=S)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001200207964 1065586311 /nfs/dbraw/zinc/58/63/11/1065586311.db2.gz DLSOAXZWJAISLB-UHFFFAOYSA-N 1 2 395.617 3.642 20 30 GHEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC001465609785 1065743654 /nfs/dbraw/zinc/74/36/54/1065743654.db2.gz GCYATNXWYFTLOA-QGZVFWFLSA-N 1 2 394.475 3.535 20 30 GHEDLO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC001466003713 1065952570 /nfs/dbraw/zinc/95/25/70/1065952570.db2.gz HJLDAPWGDTUHBL-SQNIBIBYSA-N 1 2 390.528 3.542 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2Cc2cccc(Cl)c2C)CC1 ZINC001359029132 1067659391 /nfs/dbraw/zinc/65/93/91/1067659391.db2.gz PBVOWXKKXMHADY-MRXNPFEDSA-N 1 2 385.943 3.557 20 30 GHEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C2CCC3(CC3(F)F)CC2)CC1=O ZINC000849173630 1067752914 /nfs/dbraw/zinc/75/29/14/1067752914.db2.gz JVIFKEAQZKACSB-UHFFFAOYSA-N 1 2 386.446 3.614 20 30 GHEDLO C=CCO[C@@H]1CCN(c2nnc(CC(C)C)n2CCCc2cccc(C)[nH+]2)C1 ZINC001359322563 1068033085 /nfs/dbraw/zinc/03/30/85/1068033085.db2.gz YHHKSFAZKMUTPH-HXUWFJFHSA-N 1 2 383.540 3.594 20 30 GHEDLO C=CCCC(C)(C)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC001478351776 1078828549 /nfs/dbraw/zinc/82/85/49/1078828549.db2.gz KLQFWGCQMGFOOA-ZWKOTPCHSA-N 1 2 379.932 3.756 20 30 GHEDLO C=CCCC(C)(C)NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC001478351776 1078828556 /nfs/dbraw/zinc/82/85/56/1078828556.db2.gz KLQFWGCQMGFOOA-ZWKOTPCHSA-N 1 2 379.932 3.756 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCO[C@@H](c2ccccc2)CC1 ZINC001460952028 1069293709 /nfs/dbraw/zinc/29/37/09/1069293709.db2.gz SLNWBPGPBARKII-HNAYVOBHSA-N 1 2 395.528 3.899 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCO[C@@H](c2ccccc2)CC1 ZINC001460952028 1069293720 /nfs/dbraw/zinc/29/37/20/1069293720.db2.gz SLNWBPGPBARKII-HNAYVOBHSA-N 1 2 395.528 3.899 20 30 GHEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001470557716 1072624763 /nfs/dbraw/zinc/62/47/63/1072624763.db2.gz KMSJHVHNZAOGAR-YADHBBJMSA-N 1 2 385.471 3.873 20 30 GHEDLO N#Cc1ccc(-c2cc(N3CC[NH+](Cc4ccc(Cl)s4)CC3)n[nH]2)cc1 ZINC001473623605 1074054013 /nfs/dbraw/zinc/05/40/13/1074054013.db2.gz TZPIDOKUVSYRAZ-UHFFFAOYSA-N 1 2 383.908 3.985 20 30 GHEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCc3nc[nH]c3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC001473815579 1074157573 /nfs/dbraw/zinc/15/75/73/1074157573.db2.gz ZZWVCEIPNDUEBH-FPOVZHCZSA-N 1 2 378.863 3.616 20 30 GHEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCc3nc[nH]c3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC001473815579 1074157576 /nfs/dbraw/zinc/15/75/76/1074157576.db2.gz ZZWVCEIPNDUEBH-FPOVZHCZSA-N 1 2 378.863 3.616 20 30 GHEDLO COc1ccc(C#N)cc1NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001476059497 1075077278 /nfs/dbraw/zinc/07/72/78/1075077278.db2.gz NPEMIGOJEYSPJC-UHFFFAOYSA-N 1 2 381.823 3.728 20 30 GHEDLO C[C@H](C#N)C[N@H+](Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1)C1CC1 ZINC000824034456 608742625 /nfs/dbraw/zinc/74/26/25/608742625.db2.gz KAPOXFJMXBKIBV-MRXNPFEDSA-N 1 2 388.475 3.570 20 30 GHEDLO C[C@H](C#N)C[N@@H+](Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1)C1CC1 ZINC000824034456 608742628 /nfs/dbraw/zinc/74/26/28/608742628.db2.gz KAPOXFJMXBKIBV-MRXNPFEDSA-N 1 2 388.475 3.570 20 30 GHEDLO C=CC[C@@H]1N(C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CCCC1(C)C ZINC000683532709 837435091 /nfs/dbraw/zinc/43/50/91/837435091.db2.gz NDBQVRAOXHGVJD-FQEVSTJZSA-N 1 2 398.551 3.673 20 30 GHEDLO N#Cc1cccc(C2([NH2+]Cc3csc(CNC(=O)c4ccccc4)n3)CC2)c1 ZINC000581266069 837490691 /nfs/dbraw/zinc/49/06/91/837490691.db2.gz QYMIJAMXRUXANI-UHFFFAOYSA-N 1 2 388.496 3.724 20 30 GHEDLO C=C(C)COc1cc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)ccc1OC ZINC000180718082 837493202 /nfs/dbraw/zinc/49/32/02/837493202.db2.gz RVPPVNYMKVQOFW-VXKWHMMOSA-N 1 2 397.515 3.975 20 30 GHEDLO C=C(C)COc1cc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)ccc1OC ZINC000180718082 837493207 /nfs/dbraw/zinc/49/32/07/837493207.db2.gz RVPPVNYMKVQOFW-VXKWHMMOSA-N 1 2 397.515 3.975 20 30 GHEDLO CSc1ccc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)s1 ZINC000581401414 837511252 /nfs/dbraw/zinc/51/12/52/837511252.db2.gz HSFVPDZABJYXAK-UHFFFAOYSA-N 1 2 386.502 3.912 20 30 GHEDLO CC[C@@H]1c2ccsc2CCN1C(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000548799219 834617896 /nfs/dbraw/zinc/61/78/96/834617896.db2.gz URJMAKXLULJWND-GOSISDBHSA-N 1 2 394.544 3.536 20 30 GHEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]1c1ccc(Br)c(C)c1 ZINC000430237932 835324142 /nfs/dbraw/zinc/32/41/42/835324142.db2.gz KILXTWJBDNFIGR-KDOFPFPSSA-N 1 2 392.341 3.903 20 30 GHEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]1c1ccc(Br)c(C)c1 ZINC000430237932 835324152 /nfs/dbraw/zinc/32/41/52/835324152.db2.gz KILXTWJBDNFIGR-KDOFPFPSSA-N 1 2 392.341 3.903 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)NCc2ccc(C#N)s2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000584046399 835509778 /nfs/dbraw/zinc/50/97/78/835509778.db2.gz IYOXUDVXOJDYKP-DLBZAZTESA-N 1 2 392.887 3.657 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)NCc2ccc(C#N)s2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000584046399 835509786 /nfs/dbraw/zinc/50/97/86/835509786.db2.gz IYOXUDVXOJDYKP-DLBZAZTESA-N 1 2 392.887 3.657 20 30 GHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000512526132 844068039 /nfs/dbraw/zinc/06/80/39/844068039.db2.gz DBDBYXUHHAEUHE-RXVVDRJESA-N 1 2 396.535 3.871 20 30 GHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000512526132 844068047 /nfs/dbraw/zinc/06/80/47/844068047.db2.gz DBDBYXUHHAEUHE-RXVVDRJESA-N 1 2 396.535 3.871 20 30 GHEDLO CC(C)Oc1ccc2ccccc2c1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000471217261 835918295 /nfs/dbraw/zinc/91/82/95/835918295.db2.gz XZMRETJXNRQDKC-UHFFFAOYSA-N 1 2 381.520 3.675 20 30 GHEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000365401392 836421920 /nfs/dbraw/zinc/42/19/20/836421920.db2.gz FCYOALCXGCLIIN-UHFFFAOYSA-N 1 2 390.443 3.535 20 30 GHEDLO N#Cc1ccnc(NCC2([NH+](Cc3ccccc3)Cc3ccccc3)COC2)c1 ZINC000705848333 836758816 /nfs/dbraw/zinc/75/88/16/836758816.db2.gz KVFCGFADNXYLGL-UHFFFAOYSA-N 1 2 384.483 3.837 20 30 GHEDLO COc1cccc([C@H]2C[N@H+](Cc3cn(C)nc3-c3ccc(C#N)cc3)CCO2)c1 ZINC000180072377 837068094 /nfs/dbraw/zinc/06/80/94/837068094.db2.gz HCZMODXJFZNXAU-JOCHJYFZSA-N 1 2 388.471 3.541 20 30 GHEDLO COc1cccc([C@H]2C[N@@H+](Cc3cn(C)nc3-c3ccc(C#N)cc3)CCO2)c1 ZINC000180072377 837068100 /nfs/dbraw/zinc/06/81/00/837068100.db2.gz HCZMODXJFZNXAU-JOCHJYFZSA-N 1 2 388.471 3.541 20 30 GHEDLO Cc1oc(NC(=O)C[NH2+][C@H](C)c2nc3ccccc3n2C(F)F)c(C#N)c1C ZINC000275504567 837144673 /nfs/dbraw/zinc/14/46/73/837144673.db2.gz VTNBJTPTQKNXMG-LLVKDONJSA-N 1 2 387.390 3.802 20 30 GHEDLO C[C@@H](NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)c1cccc(C#N)c1 ZINC000610323983 838451593 /nfs/dbraw/zinc/45/15/93/838451593.db2.gz JQDSUUPXYKHTBC-SJORKVTESA-N 1 2 378.476 3.834 20 30 GHEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(C2CC2)nc(SC)c1C#N ZINC000430479851 838749700 /nfs/dbraw/zinc/74/97/00/838749700.db2.gz ALSJBBLQNAHOKQ-UHFFFAOYSA-N 1 2 397.548 3.864 20 30 GHEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cccc(OC)c2OCc2ccccc2F)C1=O ZINC000549153219 839072795 /nfs/dbraw/zinc/07/27/95/839072795.db2.gz FZGSILXPHQGAGD-FQEVSTJZSA-N 1 2 398.478 3.632 20 30 GHEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cccc(OC)c2OCc2ccccc2F)C1=O ZINC000549153219 839072804 /nfs/dbraw/zinc/07/28/04/839072804.db2.gz FZGSILXPHQGAGD-FQEVSTJZSA-N 1 2 398.478 3.632 20 30 GHEDLO N#Cc1ccc(NC(=O)C[NH2+][C@@H](c2ccccc2)c2ccccn2)cc1Cl ZINC000025418248 844417347 /nfs/dbraw/zinc/41/73/47/844417347.db2.gz JIJXJWRVSGHIBM-NRFANRHFSA-N 1 2 376.847 3.924 20 30 GHEDLO COc1cc(C[N@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])c(SC)cc1OC ZINC000579717951 839790935 /nfs/dbraw/zinc/79/09/35/839790935.db2.gz MFGRISPJWWUJLH-UHFFFAOYSA-N 1 2 387.461 3.838 20 30 GHEDLO COc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])c(SC)cc1OC ZINC000579717951 839790954 /nfs/dbraw/zinc/79/09/54/839790954.db2.gz MFGRISPJWWUJLH-UHFFFAOYSA-N 1 2 387.461 3.838 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCSCc3ccccc3)CC2)cc1 ZINC000471600216 839880780 /nfs/dbraw/zinc/88/07/80/839880780.db2.gz ADDODSFVSIVHKK-UHFFFAOYSA-N 1 2 379.529 3.526 20 30 GHEDLO Fc1cccc(C[NH+]2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n1 ZINC000932945203 840010219 /nfs/dbraw/zinc/01/02/19/840010219.db2.gz SRSGGROEMFHDJE-IUCAKERBSA-N 1 2 378.238 3.824 20 30 GHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000512552947 844509525 /nfs/dbraw/zinc/50/95/25/844509525.db2.gz WLQICQLFISOXOQ-NRFANRHFSA-N 1 2 377.492 3.519 20 30 GHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000512552947 844509530 /nfs/dbraw/zinc/50/95/30/844509530.db2.gz WLQICQLFISOXOQ-NRFANRHFSA-N 1 2 377.492 3.519 20 30 GHEDLO C[N@H+](CCOc1ccccc1Cl)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000015103302 840226764 /nfs/dbraw/zinc/22/67/64/840226764.db2.gz XHKXNOFLDWTXIA-UHFFFAOYSA-N 1 2 378.259 3.814 20 30 GHEDLO C[N@@H+](CCOc1ccccc1Cl)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000015103302 840226773 /nfs/dbraw/zinc/22/67/73/840226773.db2.gz XHKXNOFLDWTXIA-UHFFFAOYSA-N 1 2 378.259 3.814 20 30 GHEDLO COC(=O)C[C@@](C)([NH2+]Cc1ccccc1C#N)c1ccc(Br)cc1 ZINC000513122198 844520470 /nfs/dbraw/zinc/52/04/70/844520470.db2.gz MIAGXYPMBVRHOF-LJQANCHMSA-N 1 2 387.277 3.889 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(OC(C)(C)C)CC1 ZINC000162607207 841679471 /nfs/dbraw/zinc/67/94/71/841679471.db2.gz UBHHLCMZTXINDU-ZDUSSCGKSA-N 1 2 375.538 3.715 20 30 GHEDLO CC(C)(C#N)c1ccccc1C[NH+]1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000487359740 842022359 /nfs/dbraw/zinc/02/23/59/842022359.db2.gz DNPHTFMAJDBJIV-UHFFFAOYSA-N 1 2 383.442 3.724 20 30 GHEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3csc(-c4ccccc4F)n3)C2)nc1 ZINC000569535668 842210672 /nfs/dbraw/zinc/21/06/72/842210672.db2.gz KFSXJEBTOBOPAB-INIZCTEOSA-N 1 2 380.448 3.869 20 30 GHEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3csc(-c4ccccc4F)n3)C2)nc1 ZINC000569535668 842210682 /nfs/dbraw/zinc/21/06/82/842210682.db2.gz KFSXJEBTOBOPAB-INIZCTEOSA-N 1 2 380.448 3.869 20 30 GHEDLO C=CCNc1ncc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)s1 ZINC000130501247 842316819 /nfs/dbraw/zinc/31/68/19/842316819.db2.gz RLJOCPVQRPQJFI-HOCLYGCPSA-N 1 2 376.913 3.570 20 30 GHEDLO C=CCNc1ncc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)s1 ZINC000130501247 842316828 /nfs/dbraw/zinc/31/68/28/842316828.db2.gz RLJOCPVQRPQJFI-HOCLYGCPSA-N 1 2 376.913 3.570 20 30 GHEDLO CC[N@@H+](Cc1ccc(N2CCC(C(=O)OC(C)(C)C)CC2)o1)C[C@H](C)C#N ZINC000891715272 842734196 /nfs/dbraw/zinc/73/41/96/842734196.db2.gz BMIISZNOXIMCHR-MRXNPFEDSA-N 1 2 375.513 3.819 20 30 GHEDLO CC[N@H+](Cc1ccc(N2CCC(C(=O)OC(C)(C)C)CC2)o1)C[C@H](C)C#N ZINC000891715272 842734200 /nfs/dbraw/zinc/73/42/00/842734200.db2.gz BMIISZNOXIMCHR-MRXNPFEDSA-N 1 2 375.513 3.819 20 30 GHEDLO C=CCn1c(SCCC[NH+]2CCN(C(C)C)CC2)nnc1-c1cccc(C)c1 ZINC000188247320 842848453 /nfs/dbraw/zinc/84/84/53/842848453.db2.gz FPTMTBSYBQWHIJ-UHFFFAOYSA-N 1 2 399.608 3.948 20 30 GHEDLO N#Cc1ccc(CNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)c(F)c1 ZINC000178382068 843523821 /nfs/dbraw/zinc/52/38/21/843523821.db2.gz YUAQRWHFENVCSA-RTWAWAEBSA-N 1 2 389.434 3.622 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1csc(Br)c1 ZINC000128696241 843571051 /nfs/dbraw/zinc/57/10/51/843571051.db2.gz WMQWYKJGCFOQGB-LLVKDONJSA-N 1 2 378.295 3.841 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1csc(Br)c1 ZINC000128696241 843571055 /nfs/dbraw/zinc/57/10/55/843571055.db2.gz WMQWYKJGCFOQGB-LLVKDONJSA-N 1 2 378.295 3.841 20 30 GHEDLO N#C[C@H](C(=O)C[N@H+](C1CC1)[C@@H]1CCc2ccccc21)c1nc2ccccc2c(=O)[nH]1 ZINC000728913615 843657420 /nfs/dbraw/zinc/65/74/20/843657420.db2.gz DFMSXORBZWLOLP-TZIWHRDSSA-N 1 2 398.466 3.664 20 30 GHEDLO N#C[C@H](C(=O)C[N@@H+](C1CC1)[C@@H]1CCc2ccccc21)c1nc2ccccc2c(=O)[nH]1 ZINC000728913615 843657424 /nfs/dbraw/zinc/65/74/24/843657424.db2.gz DFMSXORBZWLOLP-TZIWHRDSSA-N 1 2 398.466 3.664 20 30 GHEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000419306507 843965395 /nfs/dbraw/zinc/96/53/95/843965395.db2.gz AVCIXTZCVALISH-GOSISDBHSA-N 1 2 381.501 3.784 20 30 GHEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000419306507 843965403 /nfs/dbraw/zinc/96/54/03/843965403.db2.gz AVCIXTZCVALISH-GOSISDBHSA-N 1 2 381.501 3.784 20 30 GHEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2OC)c1C#N ZINC000555678762 861544084 /nfs/dbraw/zinc/54/40/84/861544084.db2.gz CNYVOMSVZKKZRI-FQEVSTJZSA-N 1 2 380.444 3.699 20 30 GHEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@H]2c2ccc(OC)cc2OC)c1C#N ZINC000555678762 861544099 /nfs/dbraw/zinc/54/40/99/861544099.db2.gz CNYVOMSVZKKZRI-FQEVSTJZSA-N 1 2 380.444 3.699 20 30 GHEDLO COc1ccccc1O[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000513419322 845387446 /nfs/dbraw/zinc/38/74/46/845387446.db2.gz GWCOVCKYXLKQPZ-QGZVFWFLSA-N 1 2 399.878 3.702 20 30 GHEDLO COc1ccccc1O[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000513419322 845387461 /nfs/dbraw/zinc/38/74/61/845387461.db2.gz GWCOVCKYXLKQPZ-QGZVFWFLSA-N 1 2 399.878 3.702 20 30 GHEDLO CCOc1ccc(NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 ZINC000512800496 845581561 /nfs/dbraw/zinc/58/15/61/845581561.db2.gz CSIRGNVLWPACBU-UHFFFAOYSA-N 1 2 397.450 3.578 20 30 GHEDLO CC[C@]1(CO)CCC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000548630254 845932891 /nfs/dbraw/zinc/93/28/91/845932891.db2.gz UYNHKIDBWRESDP-BTYIYWSLSA-N 1 2 389.565 3.700 20 30 GHEDLO CC[C@]1(CO)CCC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000548630254 845932895 /nfs/dbraw/zinc/93/28/95/845932895.db2.gz UYNHKIDBWRESDP-BTYIYWSLSA-N 1 2 389.565 3.700 20 30 GHEDLO CC(C)OC(=O)Cc1nc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cs1 ZINC000502545899 846184255 /nfs/dbraw/zinc/18/42/55/846184255.db2.gz YCDOPCBQZYIPAP-UHFFFAOYSA-N 1 2 381.501 3.798 20 30 GHEDLO CC(C)OC(=O)Cc1nc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cs1 ZINC000502545899 846184258 /nfs/dbraw/zinc/18/42/58/846184258.db2.gz YCDOPCBQZYIPAP-UHFFFAOYSA-N 1 2 381.501 3.798 20 30 GHEDLO COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000131823329 861732779 /nfs/dbraw/zinc/73/27/79/861732779.db2.gz HECORIJPRRTBLA-MRXNPFEDSA-N 1 2 388.427 3.757 20 30 GHEDLO CC(C)C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000582319271 846859480 /nfs/dbraw/zinc/85/94/80/846859480.db2.gz NIFDRPCVAJICES-IBGZPJMESA-N 1 2 384.911 3.912 20 30 GHEDLO CC(C)C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000582319271 846859483 /nfs/dbraw/zinc/85/94/83/846859483.db2.gz NIFDRPCVAJICES-IBGZPJMESA-N 1 2 384.911 3.912 20 30 GHEDLO Cn1c2ccc(NS(=O)(=O)c3ccc(Cl)c(C#N)c3)cc2[nH+]c1C1CC1 ZINC000131845675 861753430 /nfs/dbraw/zinc/75/34/30/861753430.db2.gz JRCOJACJLNKHBP-UHFFFAOYSA-N 1 2 386.864 3.777 20 30 GHEDLO CC[C@@H](CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(OC)cc1 ZINC000501832502 847227531 /nfs/dbraw/zinc/22/75/31/847227531.db2.gz QMWSBLQFZRTWKI-NRFANRHFSA-N 1 2 391.515 3.795 20 30 GHEDLO N#Cc1cccc(COc2ccc(NC(=O)NCCCn3cc[nH+]c3)cc2F)c1 ZINC000481600213 861826848 /nfs/dbraw/zinc/82/68/48/861826848.db2.gz VXHPBEAOQTVPCA-UHFFFAOYSA-N 1 2 393.422 3.685 20 30 GHEDLO CC[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@H](C)[S@@]1=O ZINC000582752369 848282197 /nfs/dbraw/zinc/28/21/97/848282197.db2.gz RZFYWHPUAPECSH-UWMNEONRSA-N 1 2 382.529 3.869 20 30 GHEDLO CC[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@H](C)[S@@]1=O ZINC000582752369 848282208 /nfs/dbraw/zinc/28/22/08/848282208.db2.gz RZFYWHPUAPECSH-UWMNEONRSA-N 1 2 382.529 3.869 20 30 GHEDLO N#Cc1ccc(OC(F)F)c(NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000171230685 861886438 /nfs/dbraw/zinc/88/64/38/861886438.db2.gz RVARQZODMVEDKB-UHFFFAOYSA-N 1 2 383.358 3.667 20 30 GHEDLO C=CCOc1ccc(/C=C\C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1OC ZINC000255555845 848487523 /nfs/dbraw/zinc/48/75/23/848487523.db2.gz JNRGAXNEHNXCPH-INLDSNEQSA-N 1 2 381.476 3.579 20 30 GHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](Cc1ccc(C)o1)C1CC1 ZINC000051967202 848620934 /nfs/dbraw/zinc/62/09/34/848620934.db2.gz VQSZHFPXHYFAGU-UHFFFAOYSA-N 1 2 398.507 3.518 20 30 GHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](Cc1ccc(C)o1)C1CC1 ZINC000051967202 848620938 /nfs/dbraw/zinc/62/09/38/848620938.db2.gz VQSZHFPXHYFAGU-UHFFFAOYSA-N 1 2 398.507 3.518 20 30 GHEDLO COc1ccc(C[C@H]2CC[N@@H+]2[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC001167641477 848761043 /nfs/dbraw/zinc/76/10/43/848761043.db2.gz IBWCMBOXXAQGNN-GDBMZVCRSA-N 1 2 395.528 3.761 20 30 GHEDLO COc1ccc(C[C@H]2CC[N@H+]2[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC001167641477 848761048 /nfs/dbraw/zinc/76/10/48/848761048.db2.gz IBWCMBOXXAQGNN-GDBMZVCRSA-N 1 2 395.528 3.761 20 30 GHEDLO C[C@H]1c2ccsc2CC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000027474157 850166598 /nfs/dbraw/zinc/16/65/98/850166598.db2.gz DJYNZUOHCLLCNQ-AWEZNQCLSA-N 1 2 392.446 3.854 20 30 GHEDLO C[C@H]1c2ccsc2CC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000027474157 850166602 /nfs/dbraw/zinc/16/66/02/850166602.db2.gz DJYNZUOHCLLCNQ-AWEZNQCLSA-N 1 2 392.446 3.854 20 30 GHEDLO Cc1cn2cc(NC(=O)[C@@H]3C[C@H]4CCCC[C@H]4N3c3ncccn3)ccc2[nH+]1 ZINC000329698877 862102199 /nfs/dbraw/zinc/10/21/99/862102199.db2.gz CVFLUTKWKSHRBR-NXHRZFHOSA-N 1 2 376.464 3.858 20 30 GHEDLO N#Cc1ccc(CC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cc1 ZINC000504658796 850204159 /nfs/dbraw/zinc/20/41/59/850204159.db2.gz APKLWXCXNCLADO-IBGZPJMESA-N 1 2 385.870 3.847 20 30 GHEDLO N#Cc1ccccc1/C=C\C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000732140087 862105489 /nfs/dbraw/zinc/10/54/89/862105489.db2.gz ZBJDRQJIARLKCV-LENZSSGSSA-N 1 2 381.426 3.630 20 30 GHEDLO N#Cc1ccccc1/C=C\C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000732140087 862105503 /nfs/dbraw/zinc/10/55/03/862105503.db2.gz ZBJDRQJIARLKCV-LENZSSGSSA-N 1 2 381.426 3.630 20 30 GHEDLO N#Cc1cccc(OCCCCC(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)c1 ZINC000513997901 851099160 /nfs/dbraw/zinc/09/91/60/851099160.db2.gz XCPHHHBSFIUOPO-OAQYLSRUSA-N 1 2 397.906 3.934 20 30 GHEDLO C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000425081704 851132430 /nfs/dbraw/zinc/13/24/30/851132430.db2.gz DTBKIULOQUYNHH-DOMZBBRYSA-N 1 2 376.382 3.789 20 30 GHEDLO N#Cc1cccc(-c2nnc(N3CCC(Nc4cccc[nH+]4)CC3)n2CC2CC2)c1 ZINC000910339372 851134452 /nfs/dbraw/zinc/13/44/52/851134452.db2.gz AFDRWFALAVGOJZ-UHFFFAOYSA-N 1 2 399.502 3.703 20 30 GHEDLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)Nc2cccc(CC#N)c2)c2ccc(Cl)cc2)C1 ZINC000515784470 851473814 /nfs/dbraw/zinc/47/38/14/851473814.db2.gz CNKMLDOQVZZBFT-PMACEKPBSA-N 1 2 398.894 3.599 20 30 GHEDLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)Nc2cccc(CC#N)c2)c2ccc(Cl)cc2)C1 ZINC000515784470 851473822 /nfs/dbraw/zinc/47/38/22/851473822.db2.gz CNKMLDOQVZZBFT-PMACEKPBSA-N 1 2 398.894 3.599 20 30 GHEDLO N#Cc1cc(Sc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2)ccn1 ZINC000911666676 851836177 /nfs/dbraw/zinc/83/61/77/851836177.db2.gz JJIJGWNKGIHZSU-UHFFFAOYSA-N 1 2 376.489 3.671 20 30 GHEDLO C=CCn1cccc1C(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@H]1[C@H](C)CC ZINC000489043270 851961450 /nfs/dbraw/zinc/96/14/50/851961450.db2.gz QPZXIZRBZOOZMA-GCJKJVERSA-N 1 2 380.536 3.750 20 30 GHEDLO C=CCn1cccc1C(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@H]1[C@H](C)CC ZINC000489043270 851961454 /nfs/dbraw/zinc/96/14/54/851961454.db2.gz QPZXIZRBZOOZMA-GCJKJVERSA-N 1 2 380.536 3.750 20 30 GHEDLO N#Cc1ccccc1/C=C/C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000028956781 852329315 /nfs/dbraw/zinc/32/93/15/852329315.db2.gz YUFHQLCVQKYBAO-JXMROGBWSA-N 1 2 399.416 3.935 20 30 GHEDLO C=CCSc1ccccc1NC(=O)CN1CC[NH+](Cc2ccsc2)CC1 ZINC000029156993 852570177 /nfs/dbraw/zinc/57/01/77/852570177.db2.gz GIOSCNXGBKIIMO-UHFFFAOYSA-N 1 2 387.574 3.783 20 30 GHEDLO CC[C@H](C)Oc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000426065746 852587365 /nfs/dbraw/zinc/58/73/65/852587365.db2.gz DCIPNHVDBNJAJT-SFHVURJKSA-N 1 2 377.488 3.694 20 30 GHEDLO CC(C)(O)[C@@H]1CCCN1C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000329862232 862380025 /nfs/dbraw/zinc/38/00/25/862380025.db2.gz YLOKECLXTWQROY-SJORKVTESA-N 1 2 397.922 3.765 20 30 GHEDLO CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507295295 852757822 /nfs/dbraw/zinc/75/78/22/852757822.db2.gz HEQBYWSMKZTWNE-HXUWFJFHSA-N 1 2 390.531 3.506 20 30 GHEDLO O=C(CC1CCCCC1)NCC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000329877698 862391884 /nfs/dbraw/zinc/39/18/84/862391884.db2.gz JQUDEPXLNIVFAT-UHFFFAOYSA-N 1 2 386.540 3.852 20 30 GHEDLO N#Cc1ccc(OCC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)cc1 ZINC000507403501 852876469 /nfs/dbraw/zinc/87/64/69/852876469.db2.gz NPAVBVBESLUKFN-UHFFFAOYSA-N 1 2 394.862 3.516 20 30 GHEDLO CSc1cc2c(cc1[NH+]=C([O-])N1CC[C@H](C)[C@@H](n3cc[nH+]c3)C1)OCCO2 ZINC000329896428 862405181 /nfs/dbraw/zinc/40/51/81/862405181.db2.gz KXHQMPMVSDLDJT-ZFWWWQNUSA-N 1 2 388.493 3.505 20 30 GHEDLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CCC2(CC1)CC(=O)C=CO2 ZINC000896880393 862415282 /nfs/dbraw/zinc/41/52/82/862415282.db2.gz BUAFBUJWGHTNNQ-UHFFFAOYSA-N 1 2 380.444 3.562 20 30 GHEDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3ncc(C#N)cc3Cl)CC2)cc1 ZINC000507556492 853023078 /nfs/dbraw/zinc/02/30/78/853023078.db2.gz PEAFWYSKNSVDOJ-UHFFFAOYSA-N 1 2 382.895 3.688 20 30 GHEDLO C#CC[NH+]1CCN(Cn2nc(Nc3ccc(C(C)C)cc3)sc2=S)CC1 ZINC000913058553 853041883 /nfs/dbraw/zinc/04/18/83/853041883.db2.gz NOIKWCKGGBHXDX-UHFFFAOYSA-N 1 2 387.578 3.749 20 30 GHEDLO CCCOc1ccc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000506098861 853407882 /nfs/dbraw/zinc/40/78/82/853407882.db2.gz KWEIKKIOAHUJJB-UHFFFAOYSA-N 1 2 379.504 3.673 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(Cl)c4cccnc34)CC2)cc1 ZINC000029760019 853461478 /nfs/dbraw/zinc/46/14/78/853461478.db2.gz MAQZYYMGJIJLCX-UHFFFAOYSA-N 1 2 390.874 3.718 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)c2ccc(F)c(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000517191109 853495064 /nfs/dbraw/zinc/49/50/64/853495064.db2.gz OZTNXVHTBNYRHS-ROUUACIJSA-N 1 2 375.806 3.665 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)c2ccc(F)c(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000517191109 853495065 /nfs/dbraw/zinc/49/50/65/853495065.db2.gz OZTNXVHTBNYRHS-ROUUACIJSA-N 1 2 375.806 3.665 20 30 GHEDLO C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccc(Br)cc1C#N ZINC000588202128 854214213 /nfs/dbraw/zinc/21/42/13/854214213.db2.gz FRZHETNROJLISG-UHFFFAOYSA-N 1 2 398.304 3.845 20 30 GHEDLO C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccc(Br)cc1C#N ZINC000588202128 854214221 /nfs/dbraw/zinc/21/42/21/854214221.db2.gz FRZHETNROJLISG-UHFFFAOYSA-N 1 2 398.304 3.845 20 30 GHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCCc3cccc(C#N)c3)n2)C1 ZINC000572010375 854353950 /nfs/dbraw/zinc/35/39/50/854353950.db2.gz OBXSYSPBBHJPER-HNNXBMFYSA-N 1 2 383.521 3.611 20 30 GHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCCc3cccc(C#N)c3)n2)C1 ZINC000572010375 854353957 /nfs/dbraw/zinc/35/39/57/854353957.db2.gz OBXSYSPBBHJPER-HNNXBMFYSA-N 1 2 383.521 3.611 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)c2cn3c(n2)CCCC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000328704652 854516429 /nfs/dbraw/zinc/51/64/29/854516429.db2.gz KQXMFSMWZOVBGV-YJBOKZPZSA-N 1 2 376.863 3.762 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)c2cn3c(n2)CCCC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000328704652 854516434 /nfs/dbraw/zinc/51/64/34/854516434.db2.gz KQXMFSMWZOVBGV-YJBOKZPZSA-N 1 2 376.863 3.762 20 30 GHEDLO O=C(N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCc2ccc(F)cc2C1)C1CCCCC1 ZINC000328772155 854535360 /nfs/dbraw/zinc/53/53/60/854535360.db2.gz JPUOAHQYXBGDLD-HXUWFJFHSA-N 1 2 398.482 3.582 20 30 GHEDLO O=C(N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCc2ccc(F)cc2C1)C1CCCCC1 ZINC000328772155 854535371 /nfs/dbraw/zinc/53/53/71/854535371.db2.gz JPUOAHQYXBGDLD-HXUWFJFHSA-N 1 2 398.482 3.582 20 30 GHEDLO C[C@@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000328870893 854591547 /nfs/dbraw/zinc/59/15/47/854591547.db2.gz PVCPBQFCOVGYDU-NSHDSACASA-N 1 2 399.369 3.543 20 30 GHEDLO C[C@@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000328870893 854591555 /nfs/dbraw/zinc/59/15/55/854591555.db2.gz PVCPBQFCOVGYDU-NSHDSACASA-N 1 2 399.369 3.543 20 30 GHEDLO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cccc(C#N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000589482296 854902858 /nfs/dbraw/zinc/90/28/58/854902858.db2.gz QSGNWMHCKDMVJL-IEBWSBKVSA-N 1 2 386.858 3.700 20 30 GHEDLO CC(C)[N@H+]1CC[C@@H](NC(=O)c2cccc(C#N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000589482296 854902862 /nfs/dbraw/zinc/90/28/62/854902862.db2.gz QSGNWMHCKDMVJL-IEBWSBKVSA-N 1 2 386.858 3.700 20 30 GHEDLO COC(=O)c1sc2ncc(C(=O)/C=C/c3cccc4[nH+]ccn43)cc2c1C ZINC000178944560 855065159 /nfs/dbraw/zinc/06/51/59/855065159.db2.gz AXBCFLZMVHBYRC-VOTSOKGWSA-N 1 2 377.425 3.935 20 30 GHEDLO Cc1nc(N2CCN(C(=O)N[C@H]3CCCc4sc(Cl)cc43)CC2)cc[nH+]1 ZINC000330205172 862660353 /nfs/dbraw/zinc/66/03/53/862660353.db2.gz CEMWTQNMOQAGSL-AWEZNQCLSA-N 1 2 391.928 3.614 20 30 GHEDLO Cc1cc(NCCCc2nn(-c3ccccc3)c(N)c2C#N)nc(C(C)C)[nH+]1 ZINC000301103720 855619719 /nfs/dbraw/zinc/61/97/19/855619719.db2.gz RADLJELKJDHDJO-UHFFFAOYSA-N 1 2 375.480 3.593 20 30 GHEDLO CC[C@@H](Nc1snc(Cl)c1C#N)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000301692858 855743208 /nfs/dbraw/zinc/74/32/08/855743208.db2.gz ZJMJIPXUJIZAAQ-HZPDHXFCSA-N 1 2 376.913 3.760 20 30 GHEDLO CC[C@@H](Nc1snc(Cl)c1C#N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000301692858 855743212 /nfs/dbraw/zinc/74/32/12/855743212.db2.gz ZJMJIPXUJIZAAQ-HZPDHXFCSA-N 1 2 376.913 3.760 20 30 GHEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(Br)cc1C#N ZINC000554216032 855848937 /nfs/dbraw/zinc/84/89/37/855848937.db2.gz POKXTPFYCGGXCD-UHFFFAOYSA-N 1 2 384.277 3.841 20 30 GHEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(Br)cc1C#N ZINC000554216032 855848950 /nfs/dbraw/zinc/84/89/50/855848950.db2.gz POKXTPFYCGGXCD-UHFFFAOYSA-N 1 2 384.277 3.841 20 30 GHEDLO C=CCNc1ncc(C(=O)N(CC)CC2CCN(c3cccc[nH+]3)CC2)s1 ZINC000136312708 855952280 /nfs/dbraw/zinc/95/22/80/855952280.db2.gz VCHAIQOAMBWZTG-UHFFFAOYSA-N 1 2 385.537 3.515 20 30 GHEDLO CN(CCC#N)C[C@@H](O)C[NH2+][C@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC000591744902 856238376 /nfs/dbraw/zinc/23/83/76/856238376.db2.gz LODKZFUPMNEBMA-MGPUTAFESA-N 1 2 393.865 3.504 20 30 GHEDLO C[N@H+](CCC#N)C[C@@H](O)CN[C@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC000591744902 856238385 /nfs/dbraw/zinc/23/83/85/856238385.db2.gz LODKZFUPMNEBMA-MGPUTAFESA-N 1 2 393.865 3.504 20 30 GHEDLO C[N@@H+](CCC#N)C[C@@H](O)CN[C@H](c1ccccc1Cl)c1cc(F)ccc1F ZINC000591744902 856238388 /nfs/dbraw/zinc/23/83/88/856238388.db2.gz LODKZFUPMNEBMA-MGPUTAFESA-N 1 2 393.865 3.504 20 30 GHEDLO O=C1[C@@H]([N@@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)CCCN1c1cccc(F)c1 ZINC000674462023 856309062 /nfs/dbraw/zinc/30/90/62/856309062.db2.gz DMUIVJDZBLVISF-MJBXVCDLSA-N 1 2 398.322 3.994 20 30 GHEDLO O=C1[C@@H]([N@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)CCCN1c1cccc(F)c1 ZINC000674462023 856309069 /nfs/dbraw/zinc/30/90/69/856309069.db2.gz DMUIVJDZBLVISF-MJBXVCDLSA-N 1 2 398.322 3.994 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)C(C)(C)Oc2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000245664730 857071464 /nfs/dbraw/zinc/07/14/64/857071464.db2.gz IJSGHYCRLDJFLW-PMACEKPBSA-N 1 2 399.441 3.555 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)C(C)(C)Oc2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000245664730 857071475 /nfs/dbraw/zinc/07/14/75/857071475.db2.gz IJSGHYCRLDJFLW-PMACEKPBSA-N 1 2 399.441 3.555 20 30 GHEDLO N#CCCN(C(=O)C[NH+]1CCC(c2ncccc2Cl)CC1)c1ccccc1 ZINC000429214898 862881452 /nfs/dbraw/zinc/88/14/52/862881452.db2.gz ZJMGGDJDZKKGCL-UHFFFAOYSA-N 1 2 382.895 3.861 20 30 GHEDLO Cc1cccc(C#N)c1S(=O)(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC001212367867 857227645 /nfs/dbraw/zinc/22/76/45/857227645.db2.gz VGAJNHQKJSQBFC-FHWLQOOXSA-N 1 2 397.544 3.539 20 30 GHEDLO Cc1cccc(C#N)c1S(=O)(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC001212367867 857227656 /nfs/dbraw/zinc/22/76/56/857227656.db2.gz VGAJNHQKJSQBFC-FHWLQOOXSA-N 1 2 397.544 3.539 20 30 GHEDLO CS(=O)(=O)c1cccc([C@@H]([NH2+]Cc2cc(C#N)ccc2F)c2ccccc2)c1 ZINC000174901382 857404708 /nfs/dbraw/zinc/40/47/08/857404708.db2.gz GQJOPQLYIIKPGH-QFIPXVFZSA-N 1 2 394.471 3.980 20 30 GHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CCc1ccc(C#N)cc1 ZINC000174905153 857406051 /nfs/dbraw/zinc/40/60/51/857406051.db2.gz ZNJOHQHSUACNOP-UHFFFAOYSA-N 1 2 376.504 3.651 20 30 GHEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2nc(Cl)c(C#N)s2)CC1 ZINC000888417970 857518702 /nfs/dbraw/zinc/51/87/02/857518702.db2.gz ULJMADSWXUGBTG-SNVBAGLBSA-N 1 2 381.914 3.640 20 30 GHEDLO N#CCc1ccccc1CC(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907814854 857789536 /nfs/dbraw/zinc/78/95/36/857789536.db2.gz HRUNQJKYIQXYBV-IBGZPJMESA-N 1 2 376.504 3.740 20 30 GHEDLO N#CCc1ccccc1CC(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907814854 857789539 /nfs/dbraw/zinc/78/95/39/857789539.db2.gz HRUNQJKYIQXYBV-IBGZPJMESA-N 1 2 376.504 3.740 20 30 GHEDLO N#Cc1ncc(NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1Cl ZINC000574495312 858057449 /nfs/dbraw/zinc/05/74/49/858057449.db2.gz FUGUTKGOCPNOFQ-CYBMUJFWSA-N 1 2 384.871 3.551 20 30 GHEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)c1C#N ZINC000595613209 858631459 /nfs/dbraw/zinc/63/14/59/858631459.db2.gz AVHRWKKKOWBOQT-KRWDZBQOSA-N 1 2 393.466 3.669 20 30 GHEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CCC[C@@H](CC#N)C2)c1C#N ZINC000595613209 858631462 /nfs/dbraw/zinc/63/14/62/858631462.db2.gz AVHRWKKKOWBOQT-KRWDZBQOSA-N 1 2 393.466 3.669 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(c2ccon2)CC1 ZINC000595828151 858700327 /nfs/dbraw/zinc/70/03/27/858700327.db2.gz JLBWREGUPOSZDL-OAHLLOKOSA-N 1 2 384.505 3.744 20 30 GHEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000596831735 859114188 /nfs/dbraw/zinc/11/41/88/859114188.db2.gz VMRHTMGPOPWJSW-NHCUHLMSSA-N 1 2 386.455 3.807 20 30 GHEDLO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000429357957 859135967 /nfs/dbraw/zinc/13/59/67/859135967.db2.gz QGWSRKVKIKULJK-KRWDZBQOSA-N 1 2 387.443 3.992 20 30 GHEDLO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000429357958 859136032 /nfs/dbraw/zinc/13/60/32/859136032.db2.gz QGWSRKVKIKULJK-QGZVFWFLSA-N 1 2 387.443 3.992 20 30 GHEDLO N#C[C@@H](C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nccc2ccccc21 ZINC000483213554 859225236 /nfs/dbraw/zinc/22/52/36/859225236.db2.gz MMYDKCNQCSSMNN-QGZVFWFLSA-N 1 2 383.367 3.819 20 30 GHEDLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cc1C ZINC000042643466 859298971 /nfs/dbraw/zinc/29/89/71/859298971.db2.gz XNEDMXZVFVWIIC-FQEVSTJZSA-N 1 2 390.531 3.710 20 30 GHEDLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cc1C ZINC000042643466 859298983 /nfs/dbraw/zinc/29/89/83/859298983.db2.gz XNEDMXZVFVWIIC-FQEVSTJZSA-N 1 2 390.531 3.710 20 30 GHEDLO CC(=[NH+]NCc1ccc(F)c(F)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000764680216 859557525 /nfs/dbraw/zinc/55/75/25/859557525.db2.gz AZTZODBJTZBSCP-UHFFFAOYSA-N 1 2 379.838 3.969 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](CF)c1ccc(F)cc1 ZINC000601942861 859667901 /nfs/dbraw/zinc/66/79/01/859667901.db2.gz VTUJZIQVGPUCEC-QAPCUYQASA-N 1 2 387.430 3.770 20 30 GHEDLO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(OCc3ccc(F)cc3)CC2)C1=O ZINC000091887702 859951654 /nfs/dbraw/zinc/95/16/54/859951654.db2.gz HGVLFYOPBVNEIR-LJQANCHMSA-N 1 2 399.491 3.545 20 30 GHEDLO C[C@](C#N)(NC(=O)C[NH+]1CCC(F)(c2ccccc2C(F)(F)F)CC1)C1CC1 ZINC000499937939 860223220 /nfs/dbraw/zinc/22/32/20/860223220.db2.gz IGWUNFDJZLEJPU-GOSISDBHSA-N 1 2 397.416 3.774 20 30 GHEDLO CCOC(=O)c1cnc2n1CC[N@H+](C1CCC(C#N)(c3ccccc3)CC1)[C@H]2C ZINC001170398642 881533233 /nfs/dbraw/zinc/53/32/33/881533233.db2.gz RLHXODOTLAAIHB-OYMFQORVSA-N 1 2 392.503 3.841 20 30 GHEDLO CCOC(=O)c1cnc2n1CC[N@@H+](C1CCC(C#N)(c3ccccc3)CC1)[C@H]2C ZINC001170398642 881533243 /nfs/dbraw/zinc/53/32/43/881533243.db2.gz RLHXODOTLAAIHB-OYMFQORVSA-N 1 2 392.503 3.841 20 30 GHEDLO CC1(C)C[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](C(F)(F)F)O1 ZINC000428933405 860422609 /nfs/dbraw/zinc/42/26/09/860422609.db2.gz UPNNAPSSCOWBCJ-CQSZACIVSA-N 1 2 389.805 3.582 20 30 GHEDLO CC1(C)C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](C(F)(F)F)O1 ZINC000428933405 860422615 /nfs/dbraw/zinc/42/26/15/860422615.db2.gz UPNNAPSSCOWBCJ-CQSZACIVSA-N 1 2 389.805 3.582 20 30 GHEDLO C#Cc1cccc(NC(=S)N(Cc2ccccc2)[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000728177436 860450655 /nfs/dbraw/zinc/45/06/55/860450655.db2.gz DWDWGNJMCFRIKN-IBGZPJMESA-N 1 2 393.556 3.588 20 30 GHEDLO COc1ccc(C#N)cc1C[N@@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000156324008 860752608 /nfs/dbraw/zinc/75/26/08/860752608.db2.gz NEAKLHRQAOCWKY-UHFFFAOYSA-N 1 2 383.879 3.568 20 30 GHEDLO COc1ccc(C#N)cc1C[N@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000156324008 860752617 /nfs/dbraw/zinc/75/26/17/860752617.db2.gz NEAKLHRQAOCWKY-UHFFFAOYSA-N 1 2 383.879 3.568 20 30 GHEDLO C[N@H+](Cc1cn2ccccc2c1C#N)[C@@H](CO)c1cccc(Br)c1 ZINC000125810648 860784273 /nfs/dbraw/zinc/78/42/73/860784273.db2.gz BMDDFTOQOPTZDX-IBGZPJMESA-N 1 2 384.277 3.739 20 30 GHEDLO C[N@@H+](Cc1cn2ccccc2c1C#N)[C@@H](CO)c1cccc(Br)c1 ZINC000125810648 860784278 /nfs/dbraw/zinc/78/42/78/860784278.db2.gz BMDDFTOQOPTZDX-IBGZPJMESA-N 1 2 384.277 3.739 20 30 GHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000730285353 860992410 /nfs/dbraw/zinc/99/24/10/860992410.db2.gz NLXXOMBBYILRGO-AEFFLSMTSA-N 1 2 383.492 3.540 20 30 GHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000730285353 860992418 /nfs/dbraw/zinc/99/24/18/860992418.db2.gz NLXXOMBBYILRGO-AEFFLSMTSA-N 1 2 383.492 3.540 20 30 GHEDLO N#CCc1ccc(OCc2cccc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)c2)cc1 ZINC000160091465 863294079 /nfs/dbraw/zinc/29/40/79/863294079.db2.gz XHJLSXPECYRJNK-LJQANCHMSA-N 1 2 386.455 3.729 20 30 GHEDLO N#CC1(c2ccc(-c3nc(-c4cccc(C[NH+]5CCOCC5)c4)no3)cc2)CC1 ZINC000182791094 863356120 /nfs/dbraw/zinc/35/61/20/863356120.db2.gz QYVAMVPSMZQYMM-UHFFFAOYSA-N 1 2 386.455 3.791 20 30 GHEDLO C[C@H](c1cccc(NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)c1)[NH+]1CCOCC1 ZINC000593974485 863589749 /nfs/dbraw/zinc/58/97/49/863589749.db2.gz CPSCZKNWAOMUHK-ZWKOTPCHSA-N 1 2 377.488 3.769 20 30 GHEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000120728211 881693685 /nfs/dbraw/zinc/69/36/85/881693685.db2.gz FMQWPTLSKLKUPL-INIZCTEOSA-N 1 2 392.377 3.959 20 30 GHEDLO N#Cc1cccc(C[NH+]2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n1 ZINC000897056889 864373874 /nfs/dbraw/zinc/37/38/74/864373874.db2.gz ZEQRUPMTDWCJKP-QWRGUYRKSA-N 1 2 385.258 3.556 20 30 GHEDLO CCCN(Cc1ccc(C)cc1)C(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000554564527 864560529 /nfs/dbraw/zinc/56/05/29/864560529.db2.gz DXQJEKSXPKFPKB-UHFFFAOYSA-N 1 2 390.531 3.686 20 30 GHEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2Cc3ccc(C#N)cc3C2)c(C)c1 ZINC000594229605 865517642 /nfs/dbraw/zinc/51/76/42/865517642.db2.gz JOWRZWBSYGEEBF-JOCHJYFZSA-N 1 2 385.471 3.838 20 30 GHEDLO C[C@@H](C(=O)N[C@@H](C#N)c1ccccc1Br)[N@@H+]1CCc2ccccc2C1 ZINC000609875972 865882703 /nfs/dbraw/zinc/88/27/03/865882703.db2.gz LBBKBFSCGKLEQW-LIRRHRJNSA-N 1 2 398.304 3.577 20 30 GHEDLO C[C@@H](C(=O)N[C@@H](C#N)c1ccccc1Br)[N@H+]1CCc2ccccc2C1 ZINC000609875972 865882713 /nfs/dbraw/zinc/88/27/13/865882713.db2.gz LBBKBFSCGKLEQW-LIRRHRJNSA-N 1 2 398.304 3.577 20 30 GHEDLO Cc1ccccc1O[C@H](C)C(=O)N1CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000609915651 866139862 /nfs/dbraw/zinc/13/98/62/866139862.db2.gz IPZVUFJWAOESGL-RTBURBONSA-N 1 2 377.488 3.539 20 30 GHEDLO CCc1ccc([C@@H](C)CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000523124421 866674953 /nfs/dbraw/zinc/67/49/53/866674953.db2.gz LIXHEXCZXJLCMD-IBGZPJMESA-N 1 2 375.516 3.959 20 30 GHEDLO CCc1ccc([C@H](C)CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000523124422 866675361 /nfs/dbraw/zinc/67/53/61/866675361.db2.gz LIXHEXCZXJLCMD-LJQANCHMSA-N 1 2 375.516 3.959 20 30 GHEDLO O=C(/C=C/c1c[nH+]c2ccc(Cl)cn12)c1ccc(N2CCOCC2)c(F)c1 ZINC000737442296 866700430 /nfs/dbraw/zinc/70/04/30/866700430.db2.gz BNMYTWRGKVABAF-HWKANZROSA-N 1 2 385.826 3.860 20 30 GHEDLO C=CCCOCCNC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000534538745 866973007 /nfs/dbraw/zinc/97/30/07/866973007.db2.gz YZEXRBAWLISDJK-QGZVFWFLSA-N 1 2 383.895 3.508 20 30 GHEDLO COc1cc(OC)c2ncc(C#N)c(NC[C@@H]3CCCn4cc(C)[nH+]c43)c2c1 ZINC000553494373 867508366 /nfs/dbraw/zinc/50/83/66/867508366.db2.gz GWKZRHONKILDIR-AWEZNQCLSA-N 1 2 377.448 3.618 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C[C@H](c2ccccc2)O1 ZINC000920418210 882093170 /nfs/dbraw/zinc/09/31/70/882093170.db2.gz YZEQWMFGGHPZIR-GTCCEBARSA-N 1 2 398.466 3.686 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C[C@H](c2ccccc2)O1 ZINC000920418210 882093189 /nfs/dbraw/zinc/09/31/89/882093189.db2.gz YZEQWMFGGHPZIR-GTCCEBARSA-N 1 2 398.466 3.686 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+]2CCC3(C2)CCOCC3)c1=S ZINC000743408085 868185346 /nfs/dbraw/zinc/18/53/46/868185346.db2.gz YMRYNTOVZUESTP-UHFFFAOYSA-N 1 2 388.512 3.866 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+]2CCC3(C2)CCOCC3)c1=S ZINC000743408085 868185353 /nfs/dbraw/zinc/18/53/53/868185353.db2.gz YMRYNTOVZUESTP-UHFFFAOYSA-N 1 2 388.512 3.866 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)C2(c3cccc(C#N)c3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535131255 868259281 /nfs/dbraw/zinc/25/92/81/868259281.db2.gz VTUCJSVFVUKTRB-UXHICEINSA-N 1 2 397.881 3.944 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)C2(c3cccc(C#N)c3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535131255 868259299 /nfs/dbraw/zinc/25/92/99/868259299.db2.gz VTUCJSVFVUKTRB-UXHICEINSA-N 1 2 397.881 3.944 20 30 GHEDLO CN(C)c1ccc(C2CC[NH+](Cn3cc4c(c(C#N)c3=O)CCCC4)CC2)cc1 ZINC000793513452 882234337 /nfs/dbraw/zinc/23/43/37/882234337.db2.gz AVFDBZLPQGGCES-UHFFFAOYSA-N 1 2 390.531 3.502 20 30 GHEDLO CCC[C@@H](Cc1ccccc1)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000524352957 868954887 /nfs/dbraw/zinc/95/48/87/868954887.db2.gz DMQJJQMXVLNZTO-QHCPKHFHSA-N 1 2 390.531 3.797 20 30 GHEDLO CC[NH+](CC)[C@@H](C(=O)O[C@@H](C)C(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000744996513 869220900 /nfs/dbraw/zinc/22/09/00/869220900.db2.gz KGZCSPPMRYMTAX-OXJNMPFZSA-N 1 2 379.460 3.512 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@@H]3c3c(F)cccc3Cl)CC2)cc1 ZINC000524851258 869675750 /nfs/dbraw/zinc/67/57/50/869675750.db2.gz VGDBFSJNJOXXPW-ZWKOTPCHSA-N 1 2 397.881 3.799 20 30 GHEDLO Cc1oc(NC(=O)C[N@@H+](C)Cc2ccc(Br)cc2)c(C#N)c1C ZINC000022185759 869958141 /nfs/dbraw/zinc/95/81/41/869958141.db2.gz GTSXJKLIUVIYCP-UHFFFAOYSA-N 1 2 376.254 3.601 20 30 GHEDLO Cc1oc(NC(=O)C[N@H+](C)Cc2ccc(Br)cc2)c(C#N)c1C ZINC000022185759 869958150 /nfs/dbraw/zinc/95/81/50/869958150.db2.gz GTSXJKLIUVIYCP-UHFFFAOYSA-N 1 2 376.254 3.601 20 30 GHEDLO CCOc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)cc1OC ZINC000540368377 871092545 /nfs/dbraw/zinc/09/25/45/871092545.db2.gz CHPPNBNRYKBESA-CQSZACIVSA-N 1 2 378.432 3.866 20 30 GHEDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H]3CCc4cc(C#N)ccc43)c2C1 ZINC000618785078 871985137 /nfs/dbraw/zinc/98/51/37/871985137.db2.gz GWXSYLLQJBNIFC-JOCHJYFZSA-N 1 2 396.494 3.902 20 30 GHEDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H]3CCc4cc(C#N)ccc43)c2C1 ZINC000618785078 871985143 /nfs/dbraw/zinc/98/51/43/871985143.db2.gz GWXSYLLQJBNIFC-JOCHJYFZSA-N 1 2 396.494 3.902 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCc3cc(C#N)ccc32)[C@H]1c1ccc(F)c(F)c1 ZINC000618826231 872030875 /nfs/dbraw/zinc/03/08/75/872030875.db2.gz YBYSNEDWAWLIGS-PCCBWWKXSA-N 1 2 396.441 3.568 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)N[C@H]2CCc3cc(C#N)ccc32)[C@H]1c1ccc(F)c(F)c1 ZINC000618826231 872030887 /nfs/dbraw/zinc/03/08/87/872030887.db2.gz YBYSNEDWAWLIGS-PCCBWWKXSA-N 1 2 396.441 3.568 20 30 GHEDLO C=C(C)COc1cc(C[NH+]2CCN([C@H](C)c3cccnc3)CC2)ccc1OC ZINC000093413642 872164914 /nfs/dbraw/zinc/16/49/14/872164914.db2.gz XOLZGUPOPREFOP-LJQANCHMSA-N 1 2 381.520 3.924 20 30 GHEDLO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000767017312 872173097 /nfs/dbraw/zinc/17/30/97/872173097.db2.gz GJJLEVRHKQUMQD-ZOCIIQOWSA-N 1 2 385.533 3.998 20 30 GHEDLO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000767017312 872173106 /nfs/dbraw/zinc/17/31/06/872173106.db2.gz GJJLEVRHKQUMQD-ZOCIIQOWSA-N 1 2 385.533 3.998 20 30 GHEDLO C[C@@H](C(=O)c1c[nH]c2ncccc12)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000552191301 872219930 /nfs/dbraw/zinc/21/99/30/872219930.db2.gz NZZDDLAFLYVBFX-AWEZNQCLSA-N 1 2 392.434 3.688 20 30 GHEDLO C=CCOc1c(Br)cc(C[NH+]2CC3(C2)CCOC3)cc1OCC ZINC000552444105 872671748 /nfs/dbraw/zinc/67/17/48/872671748.db2.gz RIRADFAGBKUWEI-UHFFFAOYSA-N 1 2 382.298 3.635 20 30 GHEDLO C=C[C@H](Sc1nnc([C@H](C)[NH+]2CCCCC2)n1-c1ccccc1)C(=O)OC ZINC000619687547 872900777 /nfs/dbraw/zinc/90/07/77/872900777.db2.gz YSIMSQZGWRWQHX-RDJZCZTQSA-N 1 2 386.521 3.634 20 30 GHEDLO C#CC[N@@H+](Cc1cn(C)nc1CC)[C@H]1CCOc2ccc(Br)cc21 ZINC000775696241 872950909 /nfs/dbraw/zinc/95/09/09/872950909.db2.gz ZHOQSUOUBCQWTG-SFHVURJKSA-N 1 2 388.309 3.704 20 30 GHEDLO C#CC[N@H+](Cc1cn(C)nc1CC)[C@H]1CCOc2ccc(Br)cc21 ZINC000775696241 872950917 /nfs/dbraw/zinc/95/09/17/872950917.db2.gz ZHOQSUOUBCQWTG-SFHVURJKSA-N 1 2 388.309 3.704 20 30 GHEDLO Cc1[nH+]c[nH]c1CSCCNC(=O)c1cc(O)cc(-c2cccc(C#N)c2)c1 ZINC001196330338 873035733 /nfs/dbraw/zinc/03/57/33/873035733.db2.gz PMGQRFDNBAHRIE-UHFFFAOYSA-N 1 2 392.484 3.626 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](C(F)(F)F)O[C@@H](C)C2)cc1C ZINC001197484313 873831313 /nfs/dbraw/zinc/83/13/13/873831313.db2.gz WPRSHUODQQSOBJ-FUHWJXTLSA-N 1 2 397.441 3.592 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](C(F)(F)F)O[C@@H](C)C2)cc1C ZINC001197484313 873831326 /nfs/dbraw/zinc/83/13/26/873831326.db2.gz WPRSHUODQQSOBJ-FUHWJXTLSA-N 1 2 397.441 3.592 20 30 GHEDLO Cc1ccc(S(=O)(=O)C2CC[NH+](Cc3c(C)cc(C#N)cc3C)CC2)cc1 ZINC001197507898 873843686 /nfs/dbraw/zinc/84/36/86/873843686.db2.gz ZBQTXRJJXZIWQZ-UHFFFAOYSA-N 1 2 382.529 3.922 20 30 GHEDLO N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)s2)cc1 ZINC000609135187 874226988 /nfs/dbraw/zinc/22/69/88/874226988.db2.gz NMFPTBZULRBCNR-QGZVFWFLSA-N 1 2 392.488 3.671 20 30 GHEDLO CCN(C)c1ccc(C(C)=[NH+]Nc2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)cc1 ZINC000769806923 874299157 /nfs/dbraw/zinc/29/91/57/874299157.db2.gz DLXSIFJRDXMYRO-UHFFFAOYSA-N 1 2 381.484 3.579 20 30 GHEDLO N#Cc1ccc(Cc2cnc(NCc3cc(-n4cc[nH+]c4)cs3)s2)cc1 ZINC000541826238 874345514 /nfs/dbraw/zinc/34/55/14/874345514.db2.gz WARMMEHXLXLOIL-UHFFFAOYSA-N 1 2 377.498 3.887 20 30 GHEDLO C[N@H+](CCOCc1ccccc1)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000464856597 874652906 /nfs/dbraw/zinc/65/29/06/874652906.db2.gz ZATRAEALOAGNGN-UHFFFAOYSA-N 1 2 397.544 3.976 20 30 GHEDLO C[N@@H+](CCOCc1ccccc1)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000464856597 874652912 /nfs/dbraw/zinc/65/29/12/874652912.db2.gz ZATRAEALOAGNGN-UHFFFAOYSA-N 1 2 397.544 3.976 20 30 GHEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000770688537 874838080 /nfs/dbraw/zinc/83/80/80/874838080.db2.gz MMPPZBYJCDXGHI-CBYYHRJHSA-N 1 2 388.511 3.998 20 30 GHEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000770688537 874838089 /nfs/dbraw/zinc/83/80/89/874838089.db2.gz MMPPZBYJCDXGHI-CBYYHRJHSA-N 1 2 388.511 3.998 20 30 GHEDLO C=CCNc1ncc(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)s1 ZINC000770951422 874962037 /nfs/dbraw/zinc/96/20/37/874962037.db2.gz GZNUVZBQOLPGJX-UHFFFAOYSA-N 1 2 390.940 3.743 20 30 GHEDLO C=CCNc1ncc(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)s1 ZINC000770951422 874962039 /nfs/dbraw/zinc/96/20/39/874962039.db2.gz GZNUVZBQOLPGJX-UHFFFAOYSA-N 1 2 390.940 3.743 20 30 GHEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542168200 875071904 /nfs/dbraw/zinc/07/19/04/875071904.db2.gz KZIWLVATRYNHEM-JOCHJYFZSA-N 1 2 394.519 3.877 20 30 GHEDLO C[N@H+](CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)Cc1cccc(C#N)c1 ZINC000026326276 875231197 /nfs/dbraw/zinc/23/11/97/875231197.db2.gz VTGVQCCROBXRNN-UHFFFAOYSA-N 1 2 379.794 3.884 20 30 GHEDLO C[N@@H+](CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)Cc1cccc(C#N)c1 ZINC000026326276 875231208 /nfs/dbraw/zinc/23/12/08/875231208.db2.gz VTGVQCCROBXRNN-UHFFFAOYSA-N 1 2 379.794 3.884 20 30 GHEDLO COc1cc(C[N@H+](C)Cc2cc(C#N)ccc2Br)cc(OC)c1 ZINC000492486238 876952649 /nfs/dbraw/zinc/95/26/49/876952649.db2.gz PSNMZMFNWSCLQC-UHFFFAOYSA-N 1 2 375.266 3.970 20 30 GHEDLO COc1cc(C[N@@H+](C)Cc2cc(C#N)ccc2Br)cc(OC)c1 ZINC000492486238 876952656 /nfs/dbraw/zinc/95/26/56/876952656.db2.gz PSNMZMFNWSCLQC-UHFFFAOYSA-N 1 2 375.266 3.970 20 30 GHEDLO CC(=O)N1CC[N@H+](Cc2cc(C#N)ccc2Br)CC12CCCCC2 ZINC000492580216 877120028 /nfs/dbraw/zinc/12/00/28/877120028.db2.gz CMXIPOWOFXMWPK-UHFFFAOYSA-N 1 2 390.325 3.688 20 30 GHEDLO CC(=O)N1CC[N@@H+](Cc2cc(C#N)ccc2Br)CC12CCCCC2 ZINC000492580216 877120031 /nfs/dbraw/zinc/12/00/31/877120031.db2.gz CMXIPOWOFXMWPK-UHFFFAOYSA-N 1 2 390.325 3.688 20 30 GHEDLO Cc1cccc(O[C@@H](C)C(=O)N2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000609916119 877183058 /nfs/dbraw/zinc/18/30/58/877183058.db2.gz HITLQVXLPFDNIW-MOPGFXCFSA-N 1 2 377.488 3.539 20 30 GHEDLO CCOc1ccc(C#N)cc1NC(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000610017055 877303960 /nfs/dbraw/zinc/30/39/60/877303960.db2.gz AFXVPCJDNJQBLB-UHFFFAOYSA-N 1 2 398.532 3.931 20 30 GHEDLO C=CCC(CC=C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787389885 877388159 /nfs/dbraw/zinc/38/81/59/877388159.db2.gz NUHPAJDOHLZJHU-UHFFFAOYSA-N 1 2 392.341 3.908 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c(C#N)c1C ZINC000451553199 878137143 /nfs/dbraw/zinc/13/71/43/878137143.db2.gz XVFXGHQALLALSU-PBHICJAKSA-N 1 2 396.447 3.883 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c(C#N)c1C ZINC000451553199 878137148 /nfs/dbraw/zinc/13/71/48/878137148.db2.gz XVFXGHQALLALSU-PBHICJAKSA-N 1 2 396.447 3.883 20 30 GHEDLO C[N@@H+](Cc1ncc(Br)cc1Cl)C[C@H](O)c1cccc(C#N)c1 ZINC000852210508 878143932 /nfs/dbraw/zinc/14/39/32/878143932.db2.gz GXQRUMFBHMNEHJ-INIZCTEOSA-N 1 2 380.673 3.535 20 30 GHEDLO C[N@H+](Cc1ncc(Br)cc1Cl)C[C@H](O)c1cccc(C#N)c1 ZINC000852210508 878143938 /nfs/dbraw/zinc/14/39/38/878143938.db2.gz GXQRUMFBHMNEHJ-INIZCTEOSA-N 1 2 380.673 3.535 20 30 GHEDLO CC(C)(C)OC(=O)N1C[C@H]([N@@H+]2Cc3cccc(C#N)c3C2)[C@H](O)c2ccccc21 ZINC000852212662 878145277 /nfs/dbraw/zinc/14/52/77/878145277.db2.gz AECDHQGNAFXGCQ-LEWJYISDSA-N 1 2 391.471 3.731 20 30 GHEDLO CC(C)(C)OC(=O)N1C[C@H]([N@H+]2Cc3cccc(C#N)c3C2)[C@H](O)c2ccccc21 ZINC000852212662 878145291 /nfs/dbraw/zinc/14/52/91/878145291.db2.gz AECDHQGNAFXGCQ-LEWJYISDSA-N 1 2 391.471 3.731 20 30 GHEDLO N#C[C@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000530639053 878248734 /nfs/dbraw/zinc/24/87/34/878248734.db2.gz RZBNWYWBBDYPBD-KRWDZBQOSA-N 1 2 386.333 3.766 20 30 GHEDLO N#Cc1ccc(CNc2c3[nH+]ccn3ccc2I)cc1F ZINC001170094216 878514486 /nfs/dbraw/zinc/51/44/86/878514486.db2.gz KOCFAJSXDPELOF-UHFFFAOYSA-N 1 2 392.175 3.562 20 30 GHEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180509444 878975566 /nfs/dbraw/zinc/97/55/66/878975566.db2.gz GSUGORVJVFNDAP-CQSZACIVSA-N 1 2 375.394 3.871 20 30 GHEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180509444 878975583 /nfs/dbraw/zinc/97/55/83/878975583.db2.gz GSUGORVJVFNDAP-CQSZACIVSA-N 1 2 375.394 3.871 20 30 GHEDLO C=CCn1c(SCc2c[nH+]cn2C)nc2sc3c(c2c1=O)CCCCC3 ZINC000531233207 879372733 /nfs/dbraw/zinc/37/27/33/879372733.db2.gz MTZOGQNCSDUUIE-UHFFFAOYSA-N 1 2 386.546 3.939 20 30 GHEDLO CCCCCCCCOCc1cccc(N2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)c1 ZINC000285859809 912473896 /nfs/dbraw/zinc/47/38/96/912473896.db2.gz CMCMQZXUDBUSES-FQEVSTJZSA-N 1 2 398.507 3.954 20 30 GHEDLO O=C(C#Cc1ccc(C(F)(F)F)cc1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000790503003 879776507 /nfs/dbraw/zinc/77/65/07/879776507.db2.gz GLPFNLCHFCPLHW-UHFFFAOYSA-N 1 2 387.336 3.698 20 30 GHEDLO C=CC[N@@H+](CC(=O)NCc1cc(Cl)ccc1OC)Cc1cccc(C#N)c1 ZINC000531642932 880243962 /nfs/dbraw/zinc/24/39/62/880243962.db2.gz ARBHPQLFCKCMPU-UHFFFAOYSA-N 1 2 383.879 3.525 20 30 GHEDLO C=CC[N@H+](CC(=O)NCc1cc(Cl)ccc1OC)Cc1cccc(C#N)c1 ZINC000531642932 880243970 /nfs/dbraw/zinc/24/39/70/880243970.db2.gz ARBHPQLFCKCMPU-UHFFFAOYSA-N 1 2 383.879 3.525 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000476532946 881323525 /nfs/dbraw/zinc/32/35/25/881323525.db2.gz KBIOOLIAVIFSDL-PMACEKPBSA-N 1 2 383.442 3.941 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000476532946 881323545 /nfs/dbraw/zinc/32/35/45/881323545.db2.gz KBIOOLIAVIFSDL-PMACEKPBSA-N 1 2 383.442 3.941 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000476532956 881323890 /nfs/dbraw/zinc/32/38/90/881323890.db2.gz KBIOOLIAVIFSDL-VQTJNVASSA-N 1 2 383.442 3.941 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000476532956 881323911 /nfs/dbraw/zinc/32/39/11/881323911.db2.gz KBIOOLIAVIFSDL-VQTJNVASSA-N 1 2 383.442 3.941 20 30 GHEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(Cl)ccc1C(F)(F)F ZINC001275220206 912684503 /nfs/dbraw/zinc/68/45/03/912684503.db2.gz MWZLOSYYXPJXGK-SFHVURJKSA-N 1 2 384.829 3.949 20 30 GHEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Cl)ccc1C(F)(F)F ZINC001275220206 912684512 /nfs/dbraw/zinc/68/45/12/912684512.db2.gz MWZLOSYYXPJXGK-SFHVURJKSA-N 1 2 384.829 3.949 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCC[C@@H]3c3ccccc3)CC2)cc1 ZINC000609546873 883340366 /nfs/dbraw/zinc/34/03/66/883340366.db2.gz ULQNGCWITXYPSH-DHIUTWEWSA-N 1 2 388.515 3.722 20 30 GHEDLO N#Cc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)cn2)c1 ZINC000609553824 883366052 /nfs/dbraw/zinc/36/60/52/883366052.db2.gz KLFAOCGVZMETAU-MRXNPFEDSA-N 1 2 388.431 3.880 20 30 GHEDLO N#Cc1cc(N2CC[NH+]([C@@H](CO)c3ccc(Cl)cc3)CC2)nc2ccccc12 ZINC000609893914 883804600 /nfs/dbraw/zinc/80/46/00/883804600.db2.gz USPXBNUWWGNHGL-NRFANRHFSA-N 1 2 392.890 3.615 20 30 GHEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)c(C#N)c1C ZINC000533929586 883824742 /nfs/dbraw/zinc/82/47/42/883824742.db2.gz GJBQAMJJDCYTLC-MRXNPFEDSA-N 1 2 389.908 3.982 20 30 GHEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)c(C#N)c1C ZINC000533929586 883824755 /nfs/dbraw/zinc/82/47/55/883824755.db2.gz GJBQAMJJDCYTLC-MRXNPFEDSA-N 1 2 389.908 3.982 20 30 GHEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000805785334 884067289 /nfs/dbraw/zinc/06/72/89/884067289.db2.gz DDVFJBJEPJZMMI-QFIPXVFZSA-N 1 2 378.520 3.720 20 30 GHEDLO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000805784088 884067425 /nfs/dbraw/zinc/06/74/25/884067425.db2.gz FJUPXVBGOZMHIO-FGZHOGPDSA-N 1 2 386.499 3.638 20 30 GHEDLO C[C@@H](NC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)c1cccc(C#N)c1 ZINC000610351855 884089438 /nfs/dbraw/zinc/08/94/38/884089438.db2.gz KCSYTYSKTKNPNA-QAPCUYQASA-N 1 2 398.457 3.861 20 30 GHEDLO C[C@@H](NC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)c1cccc(C#N)c1 ZINC000610351855 884089449 /nfs/dbraw/zinc/08/94/49/884089449.db2.gz KCSYTYSKTKNPNA-QAPCUYQASA-N 1 2 398.457 3.861 20 30 GHEDLO C#CCN(Cc1ccccc1)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000806260707 884514958 /nfs/dbraw/zinc/51/49/58/884514958.db2.gz SVGYOETXESJEGG-LJQANCHMSA-N 1 2 377.488 3.747 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)NCc1cccc2ncccc12 ZINC001183838189 912840723 /nfs/dbraw/zinc/84/07/23/912840723.db2.gz BJAKZQNNRUMUEQ-QHCPKHFHSA-N 1 2 384.483 3.777 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)NCc1cccc2ncccc12 ZINC001183838189 912840737 /nfs/dbraw/zinc/84/07/37/912840737.db2.gz BJAKZQNNRUMUEQ-QHCPKHFHSA-N 1 2 384.483 3.777 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)Nc1ccccc1-c1cc[nH]n1 ZINC001183838401 912843011 /nfs/dbraw/zinc/84/30/11/912843011.db2.gz GUKVEXPDPBGUEB-QFIPXVFZSA-N 1 2 385.471 3.942 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccccc1-c1cc[nH]n1 ZINC001183838401 912843028 /nfs/dbraw/zinc/84/30/28/912843028.db2.gz GUKVEXPDPBGUEB-QFIPXVFZSA-N 1 2 385.471 3.942 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)NC1(Cc2ccc(O)cc2)CC1 ZINC001183839868 912844786 /nfs/dbraw/zinc/84/47/86/912844786.db2.gz PTDIPWFTANCHHQ-JOCHJYFZSA-N 1 2 389.499 3.510 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)NC1(Cc2ccc(O)cc2)CC1 ZINC001183839868 912844808 /nfs/dbraw/zinc/84/48/08/912844808.db2.gz PTDIPWFTANCHHQ-JOCHJYFZSA-N 1 2 389.499 3.510 20 30 GHEDLO CCN(CC)c1ncc(C=[NH+]Nc2cc(CO)ccc2Br)s1 ZINC000841653130 884843334 /nfs/dbraw/zinc/84/33/34/884843334.db2.gz MTOMVPJNTSFCHW-UHFFFAOYSA-N 1 2 383.315 3.690 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[C@@H]3c3cccc(Cl)c3)CC2)cc1 ZINC000498582113 884930427 /nfs/dbraw/zinc/93/04/27/884930427.db2.gz CXYGFRWQFMWBSE-RTWAWAEBSA-N 1 2 379.891 3.660 20 30 GHEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000193345236 885658452 /nfs/dbraw/zinc/65/84/52/885658452.db2.gz JFMISGGAHMEFNJ-AWEZNQCLSA-N 1 2 385.414 3.707 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000556687458 885902451 /nfs/dbraw/zinc/90/24/51/885902451.db2.gz XEMZQDLDPDEBLQ-PMACEKPBSA-N 1 2 396.441 3.570 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000556687458 885902459 /nfs/dbraw/zinc/90/24/59/885902459.db2.gz XEMZQDLDPDEBLQ-PMACEKPBSA-N 1 2 396.441 3.570 20 30 GHEDLO CC[NH+](CC)[C@H](CNS(=O)(=O)CC1(C#N)CCCC1)c1ccccc1Cl ZINC000498909616 886083023 /nfs/dbraw/zinc/08/30/23/886083023.db2.gz MXOIGLKYJJBAQJ-GOSISDBHSA-N 1 2 397.972 3.726 20 30 GHEDLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000155061950 886190008 /nfs/dbraw/zinc/19/00/08/886190008.db2.gz QYYDDVVNJOOVKZ-UHFFFAOYSA-N 1 2 378.407 3.848 20 30 GHEDLO Cc1cc(C(N)=[NH+]OCC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)ccc1F ZINC000762709749 886755493 /nfs/dbraw/zinc/75/54/93/886755493.db2.gz WTZUAUQGOAYTLG-CYBMUJFWSA-N 1 2 377.847 3.644 20 30 GHEDLO CC(C)[C@H](C(=O)N(O)Cc1cc(Cl)cc(Cl)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001184235711 913092937 /nfs/dbraw/zinc/09/29/37/913092937.db2.gz NGONIMLFOBQOHK-IIYDPXPESA-N 1 2 389.323 3.845 20 30 GHEDLO CC(C)[C@H](C(=O)N(O)Cc1cc(Cl)cc(Cl)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001184235711 913092945 /nfs/dbraw/zinc/09/29/45/913092945.db2.gz NGONIMLFOBQOHK-IIYDPXPESA-N 1 2 389.323 3.845 20 30 GHEDLO Cc1cn2cc(NC(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)ccc2[nH+]1 ZINC000287152520 913145847 /nfs/dbraw/zinc/14/58/47/913145847.db2.gz XMFMZEMSHABISN-UHFFFAOYSA-N 1 2 393.422 3.729 20 30 GHEDLO C[NH+](C)Cc1cnc(/C=C\C(=O)c2ccc(N3CCOCC3)cc2Cl)s1 ZINC000794701092 887875001 /nfs/dbraw/zinc/87/50/01/887875001.db2.gz IOBMQQWOUOHEGA-WAYWQWQTSA-N 1 2 391.924 3.591 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1C ZINC000810092478 888185625 /nfs/dbraw/zinc/18/56/25/888185625.db2.gz BUIMKWIWBBKJBH-RBBKRZOGSA-N 1 2 381.520 3.584 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1C ZINC000810092478 888185633 /nfs/dbraw/zinc/18/56/33/888185633.db2.gz BUIMKWIWBBKJBH-RBBKRZOGSA-N 1 2 381.520 3.584 20 30 GHEDLO CC[C@H](C)c1ccc(NC(=O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000794832802 888282426 /nfs/dbraw/zinc/28/24/26/888282426.db2.gz NGONYXINVKKCBJ-JXFKEZNVSA-N 1 2 378.476 3.559 20 30 GHEDLO CC[C@H](C)c1ccc(NC(=O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000794832802 888282444 /nfs/dbraw/zinc/28/24/44/888282444.db2.gz NGONYXINVKKCBJ-JXFKEZNVSA-N 1 2 378.476 3.559 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCC[C@@H](C(F)(F)F)C3)CC2)cc1 ZINC000026296659 888456613 /nfs/dbraw/zinc/45/66/13/888456613.db2.gz CONCMBUUMVHISJ-QZTJIDSGSA-N 1 2 394.441 3.507 20 30 GHEDLO C#CCOc1ccc(Br)cc1C[NH2+]Cc1cn2ccc(C)cc2n1 ZINC000729681064 888498946 /nfs/dbraw/zinc/49/89/46/888498946.db2.gz RHQWHQIRUFXKTE-UHFFFAOYSA-N 1 2 384.277 3.707 20 30 GHEDLO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3ccc(O[C@H](C)C#N)cc3)n2)c1 ZINC000237355909 888688945 /nfs/dbraw/zinc/68/89/45/888688945.db2.gz ORXMMXJDAHLDHZ-CABCVRRESA-N 1 2 378.432 3.887 20 30 GHEDLO CC(=[NH+]Nc1ccc(S(N)(=O)=O)cc1)c1ccc(N2CCCCCC2)cc1 ZINC000916240848 888847766 /nfs/dbraw/zinc/84/77/66/888847766.db2.gz ZDWKLFDTKQGWSH-UHFFFAOYSA-N 1 2 386.521 3.551 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000245565950 888966738 /nfs/dbraw/zinc/96/67/38/888966738.db2.gz QDOVZGNSIKJGNT-VQTJNVASSA-N 1 2 381.426 3.695 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000245565950 888966751 /nfs/dbraw/zinc/96/67/51/888966751.db2.gz QDOVZGNSIKJGNT-VQTJNVASSA-N 1 2 381.426 3.695 20 30 GHEDLO N#Cc1csc(C[N@H+](Cc2ccccc2)C[C@]2(O)CCc3ccccc32)n1 ZINC000811467869 889629031 /nfs/dbraw/zinc/62/90/31/889629031.db2.gz VNMOONYRTYOJPY-JOCHJYFZSA-N 1 2 375.497 3.851 20 30 GHEDLO N#Cc1csc(C[N@@H+](Cc2ccccc2)C[C@]2(O)CCc3ccccc32)n1 ZINC000811467869 889629041 /nfs/dbraw/zinc/62/90/41/889629041.db2.gz VNMOONYRTYOJPY-JOCHJYFZSA-N 1 2 375.497 3.851 20 30 GHEDLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)c1cc(Cl)c(C#N)c(Cl)n1 ZINC001184801231 913441187 /nfs/dbraw/zinc/44/11/87/913441187.db2.gz SNCFYQGWXUUNMV-UHFFFAOYSA-N 1 2 386.242 3.718 20 30 GHEDLO C=CCc1cc(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc(OC)c1OC ZINC000065175174 890350525 /nfs/dbraw/zinc/35/05/25/890350525.db2.gz QPJYWLDZJKXXGA-UHFFFAOYSA-N 1 2 391.471 3.607 20 30 GHEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(N[C@@H](C)[C@H](O)c2cccc(O)c2)[nH+]1 ZINC001170676034 890564943 /nfs/dbraw/zinc/56/49/43/890564943.db2.gz ZIYGGGWBUHFPSH-GPTDZEHUSA-N 1 2 389.521 3.511 20 30 GHEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3c(Cl)nc4cc(Cl)ccn43)C2)nc1 ZINC000814171972 892367383 /nfs/dbraw/zinc/36/73/83/892367383.db2.gz VKXUUIWYXJNQDY-AWEZNQCLSA-N 1 2 388.258 3.561 20 30 GHEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3c(Cl)nc4cc(Cl)ccn43)C2)nc1 ZINC000814171972 892367396 /nfs/dbraw/zinc/36/73/96/892367396.db2.gz VKXUUIWYXJNQDY-AWEZNQCLSA-N 1 2 388.258 3.561 20 30 GHEDLO N#Cc1ccc(Nc2cccc(C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)c2)cc1 ZINC000154542154 892637681 /nfs/dbraw/zinc/63/76/81/892637681.db2.gz LKIVKWPAVHZVKX-OAQYLSRUSA-N 1 2 383.455 3.706 20 30 GHEDLO CCOC(=O)n1nc2c(c1Nc1ccc(C#C[Si](C)(C)C)nc1)C[NH2+]C2(C)C ZINC001170760843 893112405 /nfs/dbraw/zinc/11/24/05/893112405.db2.gz KOUYVLDCGNECEQ-UHFFFAOYSA-N 1 2 397.555 3.594 20 30 GHEDLO O=C1C=COC2(CC[NH+](Cc3nc(-c4c(F)cccc4F)cs3)CC2)C1 ZINC000933648832 893115310 /nfs/dbraw/zinc/11/53/10/893115310.db2.gz SNFUETLQHKZPRB-UHFFFAOYSA-N 1 2 376.428 3.926 20 30 GHEDLO N#Cc1cnc(Cl)c(C[NH2+][C@H](CCO)c2ccccc2Br)c1 ZINC000877190868 893527576 /nfs/dbraw/zinc/52/75/76/893527576.db2.gz BZBPYTDBMNHYMJ-OAHLLOKOSA-N 1 2 380.673 3.582 20 30 GHEDLO CC(=O)[C@](C#N)(CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000878286342 894163981 /nfs/dbraw/zinc/16/39/81/894163981.db2.gz NJCIJKLIOCWZOJ-JOCHJYFZSA-N 1 2 377.444 4.000 20 30 GHEDLO CC(=O)[C@](C#N)(CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000878286342 894163987 /nfs/dbraw/zinc/16/39/87/894163987.db2.gz NJCIJKLIOCWZOJ-JOCHJYFZSA-N 1 2 377.444 4.000 20 30 GHEDLO Cc1cc(C)c(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c(C)[nH+]1 ZINC000459915020 894364480 /nfs/dbraw/zinc/36/44/80/894364480.db2.gz ABLQPSKAOYEFKM-OAHLLOKOSA-N 1 2 382.851 3.524 20 30 GHEDLO N#Cc1cccc(COc2cccc(C[N@@H+]3CCOC[C@H]3[C@@H]3CCCO3)c2)c1 ZINC000564307979 894844409 /nfs/dbraw/zinc/84/44/09/894844409.db2.gz ZQDHFNJROAJQOH-GOTSBHOMSA-N 1 2 378.472 3.517 20 30 GHEDLO N#Cc1cccc(COc2cccc(C[N@H+]3CCOC[C@H]3[C@@H]3CCCO3)c2)c1 ZINC000564307979 894844413 /nfs/dbraw/zinc/84/44/13/894844413.db2.gz ZQDHFNJROAJQOH-GOTSBHOMSA-N 1 2 378.472 3.517 20 30 GHEDLO COc1ccc(C[N@@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)cc1OCCCC#N ZINC000897592610 895209100 /nfs/dbraw/zinc/20/91/00/895209100.db2.gz YEGAJGDAUOVPOV-QHCPKHFHSA-N 1 2 391.471 3.823 20 30 GHEDLO COc1ccc(C[N@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)cc1OCCCC#N ZINC000897592610 895209114 /nfs/dbraw/zinc/20/91/14/895209114.db2.gz YEGAJGDAUOVPOV-QHCPKHFHSA-N 1 2 391.471 3.823 20 30 GHEDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1 ZINC001136012059 895905293 /nfs/dbraw/zinc/90/52/93/895905293.db2.gz WPPOBEWCEKGILL-XMMPIXPASA-N 1 2 397.478 3.703 20 30 GHEDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1 ZINC001136012059 895905298 /nfs/dbraw/zinc/90/52/98/895905298.db2.gz WPPOBEWCEKGILL-XMMPIXPASA-N 1 2 397.478 3.703 20 30 GHEDLO C[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000566300283 896224503 /nfs/dbraw/zinc/22/45/03/896224503.db2.gz FZYXAGRFXDBEKP-MSOLQXFVSA-N 1 2 392.242 3.863 20 30 GHEDLO C[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000566300283 896224519 /nfs/dbraw/zinc/22/45/19/896224519.db2.gz FZYXAGRFXDBEKP-MSOLQXFVSA-N 1 2 392.242 3.863 20 30 GHEDLO N#C[C@@H](C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1nc2ccccc2s1 ZINC000041504714 896353797 /nfs/dbraw/zinc/35/37/97/896353797.db2.gz MPWMKUAHWTVSTP-ZDUSSCGKSA-N 1 2 389.396 3.880 20 30 GHEDLO N#CCCN(C(=O)C[N@@H+]1CCC=C(c2ccccn2)C1)c1cccc(Cl)c1 ZINC000567624061 897299242 /nfs/dbraw/zinc/29/92/42/897299242.db2.gz CSDBURQPROEGMB-UHFFFAOYSA-N 1 2 380.879 3.771 20 30 GHEDLO N#CCCN(C(=O)C[N@H+]1CCC=C(c2ccccn2)C1)c1cccc(Cl)c1 ZINC000567624061 897299259 /nfs/dbraw/zinc/29/92/59/897299259.db2.gz CSDBURQPROEGMB-UHFFFAOYSA-N 1 2 380.879 3.771 20 30 GHEDLO CC(C)(C)c1[nH]n(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c(=O)c1CCC#N ZINC000289354995 914157166 /nfs/dbraw/zinc/15/71/66/914157166.db2.gz HTUBJSWDGLBPSZ-LJQANCHMSA-N 1 2 396.535 3.633 20 30 GHEDLO CC(C)(C)c1[nH]n(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(=O)c1CCC#N ZINC000289354995 914157177 /nfs/dbraw/zinc/15/71/77/914157177.db2.gz HTUBJSWDGLBPSZ-LJQANCHMSA-N 1 2 396.535 3.633 20 30 GHEDLO CCOc1ccc([C@H](C)NC(=O)CCC/[NH+]=C/c2cccc(OC)c2O)cc1 ZINC000132447145 897790853 /nfs/dbraw/zinc/79/08/53/897790853.db2.gz HYZCVNFSMXSMOW-PFRBSUFTSA-N 1 2 384.476 3.876 20 30 GHEDLO Cc1cc(NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c(C#N)cc1N(C)C ZINC000332455630 899682454 /nfs/dbraw/zinc/68/24/54/899682454.db2.gz HDGFLAUGCSCQON-MRXNPFEDSA-N 1 2 397.548 3.905 20 30 GHEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc(OCc3ccccc3)c(OC)c2)CC1 ZINC000824867706 899844854 /nfs/dbraw/zinc/84/48/54/899844854.db2.gz VEQKSEOGXVOGKQ-UHFFFAOYSA-N 1 2 394.471 3.553 20 30 GHEDLO CC[C@H](C)[N@@H+](Cc1ccc(C#N)cc1OC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000121424994 900023687 /nfs/dbraw/zinc/02/36/87/900023687.db2.gz HZESCRXZJQVBHU-HNNXBMFYSA-N 1 2 376.460 3.604 20 30 GHEDLO CC[C@H](C)[N@H+](Cc1ccc(C#N)cc1OC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000121424994 900023692 /nfs/dbraw/zinc/02/36/92/900023692.db2.gz HZESCRXZJQVBHU-HNNXBMFYSA-N 1 2 376.460 3.604 20 30 GHEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CC[C@H]2O[C@@H](COCc3cccnc3)CC[C@H]21 ZINC001143725257 900445792 /nfs/dbraw/zinc/44/57/92/900445792.db2.gz XCMDQHNZESAGLC-STZQEDGTSA-N 1 2 397.906 3.945 20 30 GHEDLO N#Cc1cccc(Cl)c1C[N@H+]1CC[C@H]2O[C@@H](COCc3cccnc3)CC[C@H]21 ZINC001143725257 900445798 /nfs/dbraw/zinc/44/57/98/900445798.db2.gz XCMDQHNZESAGLC-STZQEDGTSA-N 1 2 397.906 3.945 20 30 GHEDLO C/C(=C\C(=O)Nc1cccc2[nH+]ccn21)C(=O)c1ccc(Br)cc1 ZINC001143876589 900659392 /nfs/dbraw/zinc/65/93/92/900659392.db2.gz LGBCCCYNXWIBEZ-VAWYXSNFSA-N 1 2 384.233 3.865 20 30 GHEDLO C[C@H](c1nnc(-c2ccccc2F)s1)[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844370790 900737616 /nfs/dbraw/zinc/73/76/16/900737616.db2.gz JLGDQSFPSRTWMF-FZKQIMNGSA-N 1 2 382.464 3.942 20 30 GHEDLO C[C@H](c1nnc(-c2ccccc2F)s1)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844370790 900737630 /nfs/dbraw/zinc/73/76/30/900737630.db2.gz JLGDQSFPSRTWMF-FZKQIMNGSA-N 1 2 382.464 3.942 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)cc1C ZINC000844383955 900781901 /nfs/dbraw/zinc/78/19/01/900781901.db2.gz QBVXRNGXBRGCGK-UHFFFAOYSA-N 1 2 397.416 3.917 20 30 GHEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](c3ncccn3)C2)ccc1Cl ZINC000886679258 901221905 /nfs/dbraw/zinc/22/19/05/901221905.db2.gz UCVMLMUBHVGPIN-QGZVFWFLSA-N 1 2 397.910 3.565 20 30 GHEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](c3ncccn3)C2)ccc1Cl ZINC000886679258 901221915 /nfs/dbraw/zinc/22/19/15/901221915.db2.gz UCVMLMUBHVGPIN-QGZVFWFLSA-N 1 2 397.910 3.565 20 30 GHEDLO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3n[nH]c4ccc(F)cc34)CC2)C1 ZINC001144191394 901225626 /nfs/dbraw/zinc/22/56/26/901225626.db2.gz LIOIWKXAWNXRQK-UHFFFAOYSA-N 1 2 386.471 3.703 20 30 GHEDLO C=CCCS(=O)(=O)N[C@H]1CC[N@@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000576138829 901719375 /nfs/dbraw/zinc/71/93/75/901719375.db2.gz LVPGACFAWACZTB-DLBZAZTESA-N 1 2 388.936 3.889 20 30 GHEDLO C=CCCS(=O)(=O)N[C@H]1CC[N@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000576138829 901719390 /nfs/dbraw/zinc/71/93/90/901719390.db2.gz LVPGACFAWACZTB-DLBZAZTESA-N 1 2 388.936 3.889 20 30 GHEDLO C=CCc1cc(C[N@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc(OC)c1O ZINC000125900912 902265265 /nfs/dbraw/zinc/26/52/65/902265265.db2.gz MYKUQGVFPUPFIB-HNNXBMFYSA-N 1 2 389.517 3.726 20 30 GHEDLO C=CCc1cc(C[N@@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc(OC)c1O ZINC000125900912 902265275 /nfs/dbraw/zinc/26/52/75/902265275.db2.gz MYKUQGVFPUPFIB-HNNXBMFYSA-N 1 2 389.517 3.726 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000333682107 902267219 /nfs/dbraw/zinc/26/72/19/902267219.db2.gz LKWFVPHRLAMDJI-CQSZACIVSA-N 1 2 398.507 3.791 20 30 GHEDLO N#Cc1ccc(CN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C2CC2)cc1 ZINC000263654010 902356651 /nfs/dbraw/zinc/35/66/51/902356651.db2.gz MIERAGMYGPQDCW-UHFFFAOYSA-N 1 2 385.471 3.677 20 30 GHEDLO C[C@H](c1cccc(NC(=O)N(C)Cc2cccc(C#N)c2)c1)[NH+]1CCOCC1 ZINC000264213571 902928647 /nfs/dbraw/zinc/92/86/47/902928647.db2.gz HQAFYPLTKJMVNK-QGZVFWFLSA-N 1 2 378.476 3.615 20 30 GHEDLO N#CCC[C@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccccc1 ZINC000131898127 903177022 /nfs/dbraw/zinc/17/70/22/903177022.db2.gz GBTMITCETFEVPQ-FQEVSTJZSA-N 1 2 377.492 3.916 20 30 GHEDLO CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000846797335 903225290 /nfs/dbraw/zinc/22/52/90/903225290.db2.gz SCXICYFRJZONIS-GOSISDBHSA-N 1 2 397.479 3.788 20 30 GHEDLO C#CCOc1ccccc1NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000188057176 904865613 /nfs/dbraw/zinc/86/56/13/904865613.db2.gz ASZDLNUTAIFICR-RBBKRZOGSA-N 1 2 386.455 3.945 20 30 GHEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1[C@H](C)Cc1ccc(F)cc1Cl ZINC001172867566 905884690 /nfs/dbraw/zinc/88/46/90/905884690.db2.gz NWCZAIKGBVSMEY-KUHUBIRLSA-N 1 2 392.906 3.824 20 30 GHEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1[C@H](C)Cc1ccc(F)cc1Cl ZINC001172867566 905884700 /nfs/dbraw/zinc/88/47/00/905884700.db2.gz NWCZAIKGBVSMEY-KUHUBIRLSA-N 1 2 392.906 3.824 20 30 GHEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)c1cc(C#N)cs1 ZINC000177415992 906127464 /nfs/dbraw/zinc/12/74/64/906127464.db2.gz AIBPBGWHALTXGJ-UHFFFAOYSA-N 1 2 394.500 3.948 20 30 GHEDLO COC(=O)[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173201963 906287692 /nfs/dbraw/zinc/28/76/92/906287692.db2.gz KTOYCATWMTYPIJ-KITAHSCOSA-N 1 2 378.472 3.622 20 30 GHEDLO N#Cc1ccc(Nc2ccc(OCC[NH+]3CCOCC3)cc2)c(F)c1Cl ZINC001174433450 907025078 /nfs/dbraw/zinc/02/50/78/907025078.db2.gz APKRIVVJGFPJJV-UHFFFAOYSA-N 1 2 375.831 3.805 20 30 GHEDLO N#Cc1ccc(Cn2cc(NC(=O)C[C@@H](c3[nH]cc[nH+]3)c3ccccc3)cn2)cc1 ZINC001174793072 907209619 /nfs/dbraw/zinc/20/96/19/907209619.db2.gz RSNVHCLXOKYUAJ-OAQYLSRUSA-N 1 2 396.454 3.687 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c1C#N ZINC000773428134 907292187 /nfs/dbraw/zinc/29/21/87/907292187.db2.gz IZKHERLSTJKUSQ-RXVVDRJESA-N 1 2 376.460 3.734 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c1C#N ZINC000773428134 907292203 /nfs/dbraw/zinc/29/22/03/907292203.db2.gz IZKHERLSTJKUSQ-RXVVDRJESA-N 1 2 376.460 3.734 20 30 GHEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)/C=C/c2ccc(OCC#N)cc2)CC1 ZINC000184364222 907571086 /nfs/dbraw/zinc/57/10/86/907571086.db2.gz GCJXBESOPCGQBM-BBOMDTFKSA-N 1 2 381.501 3.569 20 30 GHEDLO N#Cc1ccc(-c2csc(NC(=O)[C@@H]3CCCN(c4cccc[nH+]4)C3)n2)s1 ZINC001176958936 908327954 /nfs/dbraw/zinc/32/79/54/908327954.db2.gz XSBRHCHYIAYHML-CYBMUJFWSA-N 1 2 395.513 3.993 20 30 GHEDLO N#CCCN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176965618 908332460 /nfs/dbraw/zinc/33/24/60/908332460.db2.gz RBNKTVUFDNBLPC-GOSISDBHSA-N 1 2 382.895 3.894 20 30 GHEDLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N(CCC(F)(F)F)CC(F)(F)F ZINC000635871170 909366944 /nfs/dbraw/zinc/36/69/44/909366944.db2.gz CINNTMDMSYGCPI-QMMMGPOBSA-N 1 2 385.230 3.720 20 30 GHEDLO CCCOc1ccc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1C ZINC001180034777 909905357 /nfs/dbraw/zinc/90/53/57/909905357.db2.gz HUJLXNYKMSTQES-UHFFFAOYSA-N 1 2 380.492 3.843 20 30 GHEDLO C=CCn1c(-c2ccco2)nn(CN2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1=S ZINC000246814922 910660099 /nfs/dbraw/zinc/66/00/99/910660099.db2.gz YVHRCIYCQPXRMD-JKSUJKDBSA-N 1 2 384.509 3.597 20 30 GHEDLO CCCCCCC[C@H](O)CC(=O)N1CC2(CC[N@@H+]2CCCC(F)(F)F)C1 ZINC001274534476 910664999 /nfs/dbraw/zinc/66/49/99/910664999.db2.gz NJWVVBKUCXNUPB-INIZCTEOSA-N 1 2 378.479 3.727 20 30 GHEDLO CCCCCCC[C@H](O)CC(=O)N1CC2(CC[N@H+]2CCCC(F)(F)F)C1 ZINC001274534476 910665006 /nfs/dbraw/zinc/66/50/06/910665006.db2.gz NJWVVBKUCXNUPB-INIZCTEOSA-N 1 2 378.479 3.727 20 30 GHEDLO C[C@@H](CC(=O)c1ccccc1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001182170714 911222947 /nfs/dbraw/zinc/22/29/47/911222947.db2.gz PAKWMUNYYBWEFI-IBGZPJMESA-N 1 2 389.499 3.570 20 30 GHEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(Br)cc1F ZINC001275724434 916409307 /nfs/dbraw/zinc/40/93/07/916409307.db2.gz QORXNLDIMFTNCL-IAGOWNOFSA-N 1 2 381.289 3.730 20 30 GHEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(Br)cc1F ZINC001275724434 916409312 /nfs/dbraw/zinc/40/93/12/916409312.db2.gz QORXNLDIMFTNCL-IAGOWNOFSA-N 1 2 381.289 3.730 20 30 GHEDLO C=C(C)CNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(Br)cc1F)CC2 ZINC001275724508 916409637 /nfs/dbraw/zinc/40/96/37/916409637.db2.gz RTMNKWGCZHFGJN-INIZCTEOSA-N 1 2 395.316 3.883 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cccc(C(=O)OC(C)(C)C)c2)c1 ZINC001190399996 917300244 /nfs/dbraw/zinc/30/02/44/917300244.db2.gz TUECTFAXWFRXKP-UHFFFAOYSA-N 1 2 378.472 3.694 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cccc(C(=O)OC(C)(C)C)c2)c1 ZINC001190399996 917300258 /nfs/dbraw/zinc/30/02/58/917300258.db2.gz TUECTFAXWFRXKP-UHFFFAOYSA-N 1 2 378.472 3.694 20 30 GHEDLO N#Cc1ccc(OCc2cccc(C(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)c2)cc1 ZINC000363066906 917715011 /nfs/dbraw/zinc/71/50/11/917715011.db2.gz WOVQQOLFVXYRGU-HXUWFJFHSA-N 1 2 386.455 3.880 20 30 GHEDLO N#Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)c(C(F)(F)F)c1 ZINC001192098872 918439378 /nfs/dbraw/zinc/43/93/78/918439378.db2.gz NOBFUWANIXRYJM-OAHLLOKOSA-N 1 2 387.352 3.523 20 30 GHEDLO Cc1nsc(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)c1C#N ZINC000297410817 919302763 /nfs/dbraw/zinc/30/27/63/919302763.db2.gz LKPUCFPJZHZWGW-DLBZAZTESA-N 1 2 378.461 3.570 20 30 GHEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Cl)ncc1Br ZINC001275978821 920666967 /nfs/dbraw/zinc/66/69/67/920666967.db2.gz YRBOLQJJFOPLIC-HUUCEWRRSA-N 1 2 398.732 3.639 20 30 GHEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(Cl)ncc1Br ZINC001275978821 920666974 /nfs/dbraw/zinc/66/69/74/920666974.db2.gz YRBOLQJJFOPLIC-HUUCEWRRSA-N 1 2 398.732 3.639 20 30 GHEDLO C=CCn1c(-c2ccccc2C)nn(CN2CCc3c([nH+]cn3CC)C2)c1=S ZINC000902550731 922272001 /nfs/dbraw/zinc/27/20/01/922272001.db2.gz IOVNAWGZLWIVQE-UHFFFAOYSA-N 1 2 394.548 3.808 20 30 GHEDLO N#Cc1ccc(C2CC[NH+](Cn3c(=O)scc3-c3ccccn3)CC2)cc1 ZINC000902590203 922331650 /nfs/dbraw/zinc/33/16/50/922331650.db2.gz SFPURRMRLXKQDF-UHFFFAOYSA-N 1 2 376.485 3.681 20 30 GHEDLO N#CCc1ccc(OCc2cccc(NC(=O)[C@H]3CCc4[nH+]ccn4C3)c2)cc1 ZINC000368973323 923025669 /nfs/dbraw/zinc/02/56/69/923025669.db2.gz JUQGJSQQGJKGCE-IBGZPJMESA-N 1 2 386.455 3.729 20 30 GHEDLO C=CCN(CCc1ccco1)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000679378128 925114763 /nfs/dbraw/zinc/11/47/63/925114763.db2.gz DAEUTWTVZGPCHA-FQEVSTJZSA-N 1 2 378.476 3.737 20 30 GHEDLO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000372342741 925349031 /nfs/dbraw/zinc/34/90/31/925349031.db2.gz XWQKVAJHYDHYSB-FQEVSTJZSA-N 1 2 399.878 3.622 20 30 GHEDLO COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000372342741 925349041 /nfs/dbraw/zinc/34/90/41/925349041.db2.gz XWQKVAJHYDHYSB-FQEVSTJZSA-N 1 2 399.878 3.622 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@@](OC)(C(F)(F)F)C1 ZINC000682039919 925989535 /nfs/dbraw/zinc/98/95/35/925989535.db2.gz JFUBDXYPGGJUFY-PBHICJAKSA-N 1 2 390.471 3.695 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@@](OC)(C(F)(F)F)C1 ZINC000682039919 925989542 /nfs/dbraw/zinc/98/95/42/925989542.db2.gz JFUBDXYPGGJUFY-PBHICJAKSA-N 1 2 390.471 3.695 20 30 GHEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000682785926 926247004 /nfs/dbraw/zinc/24/70/04/926247004.db2.gz QTLMZVXLORKRRG-GOSISDBHSA-N 1 2 380.492 3.537 20 30 GHEDLO C#CC[N@@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)Cc1ccccc1 ZINC000796632966 926366997 /nfs/dbraw/zinc/36/69/97/926366997.db2.gz PJGLWHGLIWTNCN-UHFFFAOYSA-N 1 2 383.495 3.919 20 30 GHEDLO C#CC[N@H+](CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)Cc1ccccc1 ZINC000796632966 926367007 /nfs/dbraw/zinc/36/70/07/926367007.db2.gz PJGLWHGLIWTNCN-UHFFFAOYSA-N 1 2 383.495 3.919 20 30 GHEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(Br)ccc(F)c1F ZINC001276382624 926383542 /nfs/dbraw/zinc/38/35/42/926383542.db2.gz MLZSLFSUEDIKLS-HZPDHXFCSA-N 1 2 399.279 3.869 20 30 GHEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c(Br)ccc(F)c1F ZINC001276382624 926383548 /nfs/dbraw/zinc/38/35/48/926383548.db2.gz MLZSLFSUEDIKLS-HZPDHXFCSA-N 1 2 399.279 3.869 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=S)Nc3ccc(C#N)c(Cl)c3)CC2)cc1 ZINC000726442022 926664987 /nfs/dbraw/zinc/66/49/87/926664987.db2.gz VVLLJKBWXOVTPT-UHFFFAOYSA-N 1 2 395.919 3.598 20 30 GHEDLO NC(=[NH+]OCc1cn(-c2ccccc2)nn1)c1ccc(OCc2ccccc2)cc1 ZINC000726787550 926854126 /nfs/dbraw/zinc/85/41/26/926854126.db2.gz ODIHEATXPUGPKU-UHFFFAOYSA-N 1 2 399.454 3.683 20 30 GHEDLO CCc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)CC2)s1 ZINC000412136513 927136139 /nfs/dbraw/zinc/13/61/39/927136139.db2.gz WAJWLHFASAUYDZ-LEWJYISDSA-N 1 2 379.529 3.630 20 30 GHEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c1=S ZINC000749800692 927281789 /nfs/dbraw/zinc/28/17/89/927281789.db2.gz SJXRUEGOBJBVBQ-OALUTQOASA-N 1 2 384.549 3.891 20 30 GHEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)c1=S ZINC000749800692 927281804 /nfs/dbraw/zinc/28/18/04/927281804.db2.gz SJXRUEGOBJBVBQ-OALUTQOASA-N 1 2 384.549 3.891 20 30 GHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)Cc2ccc(OCC#N)cc2)c(C)c1 ZINC000749888813 927333022 /nfs/dbraw/zinc/33/30/22/927333022.db2.gz RHOLDQFCZWNJLW-QFIPXVFZSA-N 1 2 388.471 3.503 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375429705 928294505 /nfs/dbraw/zinc/29/45/05/928294505.db2.gz ZOZRLVFMHDCUGC-OAHLLOKOSA-N 1 2 384.505 3.653 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375429705 928294522 /nfs/dbraw/zinc/29/45/22/928294522.db2.gz ZOZRLVFMHDCUGC-OAHLLOKOSA-N 1 2 384.505 3.653 20 30 GHEDLO C[C@H](O)[C@@H]1CCN(c2cc(NCc3ccc(-c4ccccc4C#N)cc3)[nH+]cn2)C1 ZINC000413229561 928344964 /nfs/dbraw/zinc/34/49/64/928344964.db2.gz RFJDOAFCIUZBES-LAUBAEHRSA-N 1 2 399.498 3.834 20 30 GHEDLO C[C@H](O)[C@@H]1CCN(c2cc(NCc3ccc(-c4ccccc4C#N)cc3)nc[nH+]2)C1 ZINC000413229561 928344974 /nfs/dbraw/zinc/34/49/74/928344974.db2.gz RFJDOAFCIUZBES-LAUBAEHRSA-N 1 2 399.498 3.834 20 30 GHEDLO Cc1cc(-c2noc([C@@H](C)O[NH+]=C(N)c3ccc4c(c3)CCO4)n2)ccc1F ZINC000753830228 929554179 /nfs/dbraw/zinc/55/41/79/929554179.db2.gz NZSUGMGCCIENCV-GFCCVEGCSA-N 1 2 382.395 3.517 20 30 GHEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000469756392 930139823 /nfs/dbraw/zinc/13/98/23/930139823.db2.gz LZQFFGZFXWIYED-ZWQIFLOQSA-N 1 2 380.891 3.712 20 30 GHEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000469756392 930139839 /nfs/dbraw/zinc/13/98/39/930139839.db2.gz LZQFFGZFXWIYED-ZWQIFLOQSA-N 1 2 380.891 3.712 20 30 GHEDLO C=CCc1cc(C[NH2+]Cc2cnn(-c3cc(C)cc(C)c3)n2)cc(OC)c1OC ZINC000781414341 930835352 /nfs/dbraw/zinc/83/53/52/930835352.db2.gz JEORYRJDCPXXRL-UHFFFAOYSA-N 1 2 392.503 3.920 20 30 GHEDLO N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cc1 ZINC000470899640 931014731 /nfs/dbraw/zinc/01/47/31/931014731.db2.gz YDNBJHZBLALOJX-INIZCTEOSA-N 1 2 375.819 3.718 20 30 GHEDLO COc1ccccc1-c1csc([C@H]2CCC[N@H+](Cc3ncc(C#N)cn3)C2)n1 ZINC000557260148 931305732 /nfs/dbraw/zinc/30/57/32/931305732.db2.gz XKGVFDFBFRUZMY-INIZCTEOSA-N 1 2 391.500 3.860 20 30 GHEDLO COc1ccccc1-c1csc([C@H]2CCC[N@@H+](Cc3ncc(C#N)cn3)C2)n1 ZINC000557260148 931305740 /nfs/dbraw/zinc/30/57/40/931305740.db2.gz XKGVFDFBFRUZMY-INIZCTEOSA-N 1 2 391.500 3.860 20 30 GHEDLO C=CCn1c(=S)n(CN2CCC(CCCn3cc[nH+]c3)CC2)nc1C1CC1 ZINC000782942203 931370204 /nfs/dbraw/zinc/37/02/04/931370204.db2.gz FFNSZHIIWLZYMK-UHFFFAOYSA-N 1 2 386.569 3.824 20 30 GHEDLO COc1cc(C[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)ccc1C#N ZINC000557529660 931522002 /nfs/dbraw/zinc/52/20/02/931522002.db2.gz KMAWUXZFPJPASK-UHFFFAOYSA-N 1 2 388.258 3.744 20 30 GHEDLO CC(=O)C1=C(c2ccc(C)cc2)NC(=S)N[C@H]1c1cc(-n2cc[nH+]c2)cs1 ZINC000783936875 931724143 /nfs/dbraw/zinc/72/41/43/931724143.db2.gz BDCUOXJUFCBSJX-IBGZPJMESA-N 1 2 394.525 3.761 20 30 GHEDLO CCc1nnc(CO[NH+]=C(N)c2ccc(COc3ccccc3F)cc2)s1 ZINC000784054267 931768237 /nfs/dbraw/zinc/76/82/37/931768237.db2.gz VSFUZTWSCMLNQZ-UHFFFAOYSA-N 1 2 386.452 3.656 20 30 GHEDLO N#CCc1ccc(C[NH+]2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1 ZINC000784124511 931792009 /nfs/dbraw/zinc/79/20/09/931792009.db2.gz BHLMJGMWYYGPSA-UHFFFAOYSA-N 1 2 381.348 3.770 20 30 GHEDLO COCc1cc[nH+]c(N[C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000926663623 932265710 /nfs/dbraw/zinc/26/57/10/932265710.db2.gz VCYHGXMITWBXLQ-INIZCTEOSA-N 1 2 388.512 3.959 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799194884 932909703 /nfs/dbraw/zinc/90/97/03/932909703.db2.gz ABFVAQHHDZKSJB-IAGOWNOFSA-N 1 2 380.517 3.761 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799194884 932909707 /nfs/dbraw/zinc/90/97/07/932909707.db2.gz ABFVAQHHDZKSJB-IAGOWNOFSA-N 1 2 380.517 3.761 20 30 GHEDLO N#CCSc1ccccc1NC(=O)C[NH+]1CCC(Nc2ccccc2)CC1 ZINC001116349041 933499794 /nfs/dbraw/zinc/49/97/94/933499794.db2.gz XFTNTSHQOWOANV-UHFFFAOYSA-N 1 2 380.517 3.817 20 30 GHEDLO CC1(C)CCCc2cc(C#N)c(N3CCC[N@H+](Cc4cscn4)CC3)nc21 ZINC000561444713 934167810 /nfs/dbraw/zinc/16/78/10/934167810.db2.gz LBPLFUUYBVBHAS-UHFFFAOYSA-N 1 2 381.549 3.736 20 30 GHEDLO CC1(C)CCCc2cc(C#N)c(N3CCC[N@@H+](Cc4cscn4)CC3)nc21 ZINC000561444713 934167812 /nfs/dbraw/zinc/16/78/12/934167812.db2.gz LBPLFUUYBVBHAS-UHFFFAOYSA-N 1 2 381.549 3.736 20 30 GHEDLO CSc1[nH]c(=O)c(C(=O)N(C[C@H](C)[NH+](C)C)c2c(C)cccc2C)cc1C#N ZINC001121222566 934592868 /nfs/dbraw/zinc/59/28/68/934592868.db2.gz XGCJWWBTZWHSRG-HNNXBMFYSA-N 1 2 398.532 3.595 20 30 GHEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N(Cc1ccc(Cl)cc1)C1CC1 ZINC001121415098 934650970 /nfs/dbraw/zinc/65/09/70/934650970.db2.gz IUQXLRLLHNHQJR-UHFFFAOYSA-N 1 2 398.942 3.731 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCCC[C@@H](C2CCOCC2)C1 ZINC001121508935 934678784 /nfs/dbraw/zinc/67/87/84/934678784.db2.gz ABABNIZOIUTUOS-UXHICEINSA-N 1 2 387.572 3.654 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCCC[C@@H](C2CCOCC2)C1 ZINC001121508935 934678788 /nfs/dbraw/zinc/67/87/88/934678788.db2.gz ABABNIZOIUTUOS-UXHICEINSA-N 1 2 387.572 3.654 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC[C@@H](COC)C1 ZINC001121580803 934704855 /nfs/dbraw/zinc/70/48/55/934704855.db2.gz FGWKPZIDRZUBMY-AZUAARDMSA-N 1 2 383.540 3.520 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC[C@@H](COC)C1 ZINC001121580803 934704861 /nfs/dbraw/zinc/70/48/61/934704861.db2.gz FGWKPZIDRZUBMY-AZUAARDMSA-N 1 2 383.540 3.520 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1Cc2ccccc2[C@H](C)C1 ZINC001121584290 934706859 /nfs/dbraw/zinc/70/68/59/934706859.db2.gz NBLIKEBSEWIECM-GOSISDBHSA-N 1 2 390.535 3.681 20 30 GHEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC(OCc2ccccc2)CC1 ZINC001121623323 934718534 /nfs/dbraw/zinc/71/85/34/934718534.db2.gz MADAIRLDOGRGPO-UHFFFAOYSA-N 1 2 395.551 3.636 20 30 GHEDLO CC[N@H+](CCC#N)Cc1cn(S(=O)(=O)c2ccc(C)cc2)c2ccccc12 ZINC001137589022 935605715 /nfs/dbraw/zinc/60/57/15/935605715.db2.gz XYYORRHQYLNTNN-UHFFFAOYSA-N 1 2 381.501 3.922 20 30 GHEDLO CC[N@@H+](CCC#N)Cc1cn(S(=O)(=O)c2ccc(C)cc2)c2ccccc12 ZINC001137589022 935605716 /nfs/dbraw/zinc/60/57/16/935605716.db2.gz XYYORRHQYLNTNN-UHFFFAOYSA-N 1 2 381.501 3.922 20 30 GHEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000468959102 1016274009 /nfs/dbraw/zinc/27/40/09/1016274009.db2.gz MMRIHSGFYPMQLS-KRWDZBQOSA-N 1 2 382.357 3.588 20 30 GHEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000468959102 1016274018 /nfs/dbraw/zinc/27/40/18/1016274018.db2.gz MMRIHSGFYPMQLS-KRWDZBQOSA-N 1 2 382.357 3.588 20 30 GHEDLO N#CCCn1cc(C[NH2+]Cc2nc(-c3ccccc3)no2)c(-c2ccccc2)n1 ZINC000469141990 1016550719 /nfs/dbraw/zinc/55/07/19/1016550719.db2.gz LXGSGMWCEIBIMR-UHFFFAOYSA-N 1 2 384.443 3.804 20 30 GHEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2c(SC(C)C)nc3sccn23)C1=O ZINC001277175673 1032243585 /nfs/dbraw/zinc/24/35/85/1032243585.db2.gz KJFFCNLXFQFEAM-LJQANCHMSA-N 1 2 390.578 3.649 20 30 GHEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2c(SC(C)C)nc3sccn23)C1=O ZINC001277175673 1032243591 /nfs/dbraw/zinc/24/35/91/1032243591.db2.gz KJFFCNLXFQFEAM-LJQANCHMSA-N 1 2 390.578 3.649 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2nc3cccc4c3n2CCCC4=O)C1 ZINC001227817656 1032625789 /nfs/dbraw/zinc/62/57/89/1032625789.db2.gz BGXRJYZLHWVTJH-GOSISDBHSA-N 1 2 386.455 3.538 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2nc3cccc4c3n2CCCC4=O)C1 ZINC001227817656 1032625807 /nfs/dbraw/zinc/62/58/07/1032625807.db2.gz BGXRJYZLHWVTJH-GOSISDBHSA-N 1 2 386.455 3.538 20 30 GHEDLO Cc1nc(NC(=NO)c2ccc(OC(F)(F)F)cc2)cc(N2CCCC2)[nH+]1 ZINC001155909318 1032784777 /nfs/dbraw/zinc/78/47/77/1032784777.db2.gz MNEFMJHSRCBEHL-UHFFFAOYSA-N 1 2 381.358 3.532 20 30 GHEDLO N#Cc1cncc(C[NH+]2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c1 ZINC000932942360 1018770459 /nfs/dbraw/zinc/77/04/59/1018770459.db2.gz YHJJVUWJFRNHGK-GHMZBOCLSA-N 1 2 385.258 3.556 20 30 GHEDLO Cc1nc(C[NH+]2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)oc1C ZINC000932943611 1018773174 /nfs/dbraw/zinc/77/31/74/1018773174.db2.gz NPRKOEKNEVACIW-RKDXNWHRSA-N 1 2 378.263 3.894 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CCO[C@]2(CCC[C@H]2COCc2ccccn2)C1 ZINC001204371869 1032813422 /nfs/dbraw/zinc/81/34/22/1032813422.db2.gz ZRJOEWNBWQPQPU-JTHBVZDNSA-N 1 2 377.488 3.541 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CCO[C@]2(CCC[C@H]2COCc2ccccn2)C1 ZINC001204371869 1032813436 /nfs/dbraw/zinc/81/34/36/1032813436.db2.gz ZRJOEWNBWQPQPU-JTHBVZDNSA-N 1 2 377.488 3.541 20 30 GHEDLO Cc1cc(N2CCN(c3[nH+]ccc4ccc(C#N)cc43)CC2)n(-c2ccccc2)n1 ZINC001155988724 1032823587 /nfs/dbraw/zinc/82/35/87/1032823587.db2.gz ZMUNLLUMIQGSNH-UHFFFAOYSA-N 1 2 394.482 3.927 20 30 GHEDLO Cn1c2ccccc2nc1C(C#N)=C(O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000568612502 1019428247 /nfs/dbraw/zinc/42/82/47/1019428247.db2.gz OQNQSVLHHSECPA-GOSISDBHSA-N 1 2 390.512 3.612 20 30 GHEDLO N#Cc1ccc(C2CC[NH+](Cc3cnc4cnc(Br)cn34)CC2)cc1 ZINC001140242522 1021218738 /nfs/dbraw/zinc/21/87/38/1021218738.db2.gz AJWUKPISMXMUQV-UHFFFAOYSA-N 1 2 396.292 3.743 20 30 GHEDLO Cc1ccc2c(C[NH+]3CCN(CCC#N)CC3)cn(C(=O)OC(C)(C)C)c2c1 ZINC001140375681 1021521259 /nfs/dbraw/zinc/52/12/59/1021521259.db2.gz LQNBRACGFUVTJG-UHFFFAOYSA-N 1 2 382.508 3.764 20 30 GHEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1c[nH+]ccc1Nc1ccccc1 ZINC001140471694 1021769195 /nfs/dbraw/zinc/76/91/95/1021769195.db2.gz OUYMHKCTFATHKO-UHFFFAOYSA-N 1 2 377.444 3.551 20 30 GHEDLO CCCCCCCCCC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001137291708 1021821037 /nfs/dbraw/zinc/82/10/37/1021821037.db2.gz CPJRSKXWKHYMFB-SFHVURJKSA-N 1 2 383.577 3.794 20 30 GHEDLO CCCCCCCCCC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001137291708 1021821049 /nfs/dbraw/zinc/82/10/49/1021821049.db2.gz CPJRSKXWKHYMFB-SFHVURJKSA-N 1 2 383.577 3.794 20 30 GHEDLO N#Cc1c(F)cc(C[N@@H+]2CCC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)cc1F ZINC001140755560 1022445586 /nfs/dbraw/zinc/44/55/86/1022445586.db2.gz KQQRBKHKIIZFJT-GFCCVEGCSA-N 1 2 398.335 3.689 20 30 GHEDLO N#Cc1c(F)cc(C[N@H+]2CCC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)cc1F ZINC001140755560 1022445594 /nfs/dbraw/zinc/44/55/94/1022445594.db2.gz KQQRBKHKIIZFJT-GFCCVEGCSA-N 1 2 398.335 3.689 20 30 GHEDLO N#Cc1c(F)cc(C[NH+]2CCC(Oc3cnc4ccccc4n3)CC2)cc1F ZINC001140756672 1022446587 /nfs/dbraw/zinc/44/65/87/1022446587.db2.gz PKKXJLQIJULDJA-UHFFFAOYSA-N 1 2 380.398 3.823 20 30 GHEDLO N#Cc1cccc(C[N@H+]2CCC[C@@H](N3Cc4c(cccc4F)C3=O)C2)c1Cl ZINC001140814778 1022613156 /nfs/dbraw/zinc/61/31/56/1022613156.db2.gz PRHXADDZYZJVOM-MRXNPFEDSA-N 1 2 383.854 3.971 20 30 GHEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H](N3Cc4c(cccc4F)C3=O)C2)c1Cl ZINC001140814778 1022613160 /nfs/dbraw/zinc/61/31/60/1022613160.db2.gz PRHXADDZYZJVOM-MRXNPFEDSA-N 1 2 383.854 3.971 20 30 GHEDLO COc1ccc(C#N)cc1COC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000754952390 1022980383 /nfs/dbraw/zinc/98/03/83/1022980383.db2.gz QJPRVRMPKJDJLS-UHFFFAOYSA-N 1 2 388.427 3.634 20 30 GHEDLO C#CC[C@@H](NC(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1)c1ccccc1 ZINC000757059568 1023922747 /nfs/dbraw/zinc/92/27/47/1023922747.db2.gz XHYNHLYRKVQXAW-OAQYLSRUSA-N 1 2 381.545 3.902 20 30 GHEDLO COC(=O)C1(C#N)CC[NH+]([C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000831699095 1024755202 /nfs/dbraw/zinc/75/52/02/1024755202.db2.gz HJJOAPXQSJYWLN-INIZCTEOSA-N 1 2 377.282 3.605 20 30 GHEDLO C=C(C)COc1ccccc1C[N@H+]1Cc2nccn2C[C@H](COCC2CC2)C1 ZINC001138660844 1025179505 /nfs/dbraw/zinc/17/95/05/1025179505.db2.gz FAKGRQGCEGNTGQ-HXUWFJFHSA-N 1 2 381.520 3.897 20 30 GHEDLO C=C(C)COc1ccccc1C[N@@H+]1Cc2nccn2C[C@H](COCC2CC2)C1 ZINC001138660844 1025179514 /nfs/dbraw/zinc/17/95/14/1025179514.db2.gz FAKGRQGCEGNTGQ-HXUWFJFHSA-N 1 2 381.520 3.897 20 30 GHEDLO C=C(C)COc1ccccc1C[N@@H+]1CCO[C@H]2[C@@H](Oc3cccnc3)CC[C@@H]21 ZINC001138662437 1025182978 /nfs/dbraw/zinc/18/29/78/1025182978.db2.gz YDOMGPAMKGKAKU-ACIOBRDBSA-N 1 2 380.488 3.847 20 30 GHEDLO C=C(C)COc1ccccc1C[N@H+]1CCO[C@H]2[C@@H](Oc3cccnc3)CC[C@@H]21 ZINC001138662437 1025182981 /nfs/dbraw/zinc/18/29/81/1025182981.db2.gz YDOMGPAMKGKAKU-ACIOBRDBSA-N 1 2 380.488 3.847 20 30 GHEDLO C=CCOC[C@@H]1C[N@@H+](Cc2ccccc2OCCC)Cc2nnn(CC3CC3)c21 ZINC001138996651 1025741598 /nfs/dbraw/zinc/74/15/98/1025741598.db2.gz LOLJAGURMLOHAT-FQEVSTJZSA-N 1 2 396.535 3.779 20 30 GHEDLO C=CCOC[C@@H]1C[N@H+](Cc2ccccc2OCCC)Cc2nnn(CC3CC3)c21 ZINC001138996651 1025741614 /nfs/dbraw/zinc/74/16/14/1025741614.db2.gz LOLJAGURMLOHAT-FQEVSTJZSA-N 1 2 396.535 3.779 20 30 GHEDLO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1c(Br)cccc1C#N ZINC001162592205 1025814614 /nfs/dbraw/zinc/81/46/14/1025814614.db2.gz YHPIOHLPOYBQEE-MRXNPFEDSA-N 1 2 399.336 3.943 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@H+](Cc3nc(Br)oc3C)CC2)C1=O ZINC001276398245 1026083939 /nfs/dbraw/zinc/08/39/39/1026083939.db2.gz LDOIPBBDLMKZPH-GOSISDBHSA-N 1 2 396.329 3.526 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+](Cc3nc(Br)oc3C)CC2)C1=O ZINC001276398245 1026083959 /nfs/dbraw/zinc/08/39/59/1026083959.db2.gz LDOIPBBDLMKZPH-GOSISDBHSA-N 1 2 396.329 3.526 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@H+]2CCCC[C@@](O)(C(F)(F)F)C2)c1 ZINC001141654673 1026090085 /nfs/dbraw/zinc/09/00/85/1026090085.db2.gz GNECQBNLTWTMGG-AWEZNQCLSA-N 1 2 377.204 3.600 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCCC[C@@](O)(C(F)(F)F)C2)c1 ZINC001141654673 1026090102 /nfs/dbraw/zinc/09/01/02/1026090102.db2.gz GNECQBNLTWTMGG-AWEZNQCLSA-N 1 2 377.204 3.600 20 30 GHEDLO N#Cc1cc(NCCn2c[nH+]cc2-c2ccccc2)nc2ccc([N+](=O)[O-])cc12 ZINC001163830788 1026331494 /nfs/dbraw/zinc/33/14/94/1026331494.db2.gz BNMBGYXKOCELHY-UHFFFAOYSA-N 1 2 384.399 3.990 20 30 GHEDLO N#Cc1c(Cl)cccc1CN1CC[C@@H]([NH+]2CCOCC2)[C@@H]1Cc1ccccc1 ZINC001139689421 1026540713 /nfs/dbraw/zinc/54/07/13/1026540713.db2.gz MVLFDVLSWQDBPR-PKTZIBPZSA-N 1 2 395.934 3.729 20 30 GHEDLO N#Cc1ccc2cc[nH+]c(N3CCC4(C3)CCN(C(=O)c3cccnc3)CC4)c2c1 ZINC001165957180 1026881798 /nfs/dbraw/zinc/88/17/98/1026881798.db2.gz OURWKXFLKRLSLF-UHFFFAOYSA-N 1 2 397.482 3.634 20 30 GHEDLO C=CCn1c(-c2cccs2)nn(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1=S ZINC000840119356 1027237241 /nfs/dbraw/zinc/23/72/41/1027237241.db2.gz HGUWTPSVHLNFDD-XHSDSOJGSA-N 1 2 390.578 3.911 20 30 GHEDLO C=CCn1c(-c2cccs2)nn(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1=S ZINC000840119356 1027237263 /nfs/dbraw/zinc/23/72/63/1027237263.db2.gz HGUWTPSVHLNFDD-XHSDSOJGSA-N 1 2 390.578 3.911 20 30 GHEDLO COc1cccc(C(=O)C2CC[NH+](Cc3ccc(C#N)c(SC)n3)CC2)c1 ZINC001141931970 1027692074 /nfs/dbraw/zinc/69/20/74/1027692074.db2.gz PGLOVNYVYAJFLB-UHFFFAOYSA-N 1 2 381.501 3.779 20 30 GHEDLO N#Cc1cc(Nc2ccc(OCC[NH+]3CCOCC3)cc2F)ccc1Cl ZINC001213484999 1028218893 /nfs/dbraw/zinc/21/88/93/1028218893.db2.gz NBMZPEQLHMQXLF-UHFFFAOYSA-N 1 2 375.831 3.805 20 30 GHEDLO CCOC(=O)Cc1c(C#N)c(Nc2c[nH+]c(C)cc2C)sc1C(=O)OCC ZINC001213508051 1028233620 /nfs/dbraw/zinc/23/36/20/1028233620.db2.gz KFBBWMJOCJXMNN-UHFFFAOYSA-N 1 2 387.461 3.658 20 30 GHEDLO N#Cc1cccc(Nc2cc(I)c3[nH+]ccn3c2)c1F ZINC001216414075 1029631618 /nfs/dbraw/zinc/63/16/18/1029631618.db2.gz FRSHWDUJQCILDD-UHFFFAOYSA-N 1 2 378.148 3.693 20 30 GHEDLO CCOC[C@@H]1C[N@H+](Cc2c[nH]c3cc(C#N)ccc23)Cc2c1cnn2CC1CC1 ZINC001142916560 1029689074 /nfs/dbraw/zinc/68/90/74/1029689074.db2.gz FQPJXGMNDBXUTA-IBGZPJMESA-N 1 2 389.503 3.782 20 30 GHEDLO CCOC[C@@H]1C[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)Cc2c1cnn2CC1CC1 ZINC001142916560 1029689079 /nfs/dbraw/zinc/68/90/79/1029689079.db2.gz FQPJXGMNDBXUTA-IBGZPJMESA-N 1 2 389.503 3.782 20 30 GHEDLO N#Cc1cc(Cc2nnc(O[C@@H]3CC[NH2+]CC3(F)F)c3ccccc23)ccc1F ZINC001218009478 1030719030 /nfs/dbraw/zinc/71/90/30/1030719030.db2.gz HVVGTGNOTYTBGO-LJQANCHMSA-N 1 2 398.388 3.607 20 30 GHEDLO N#Cc1cc(Cc2nnc(O[C@H]3CC[NH2+]CC3(F)F)c3ccccc23)ccc1F ZINC001218009477 1030720081 /nfs/dbraw/zinc/72/00/81/1030720081.db2.gz HVVGTGNOTYTBGO-IBGZPJMESA-N 1 2 398.388 3.607 20 30 GHEDLO C=C(C)CN1CC2(CCC1=O)CC[NH+](Cc1cc(F)c(O)c(Cl)c1)CC2 ZINC001276998635 1031131396 /nfs/dbraw/zinc/13/13/96/1031131396.db2.gz PBYWVMCABYBECE-UHFFFAOYSA-N 1 2 380.891 3.965 20 30 GHEDLO C[NH+](C)Cc1nc(CSCCNc2ccc(C3(C#N)CCC3)cn2)cs1 ZINC001157337208 1033542170 /nfs/dbraw/zinc/54/21/70/1033542170.db2.gz YRKDSYZMLYNSIK-UHFFFAOYSA-N 1 2 387.578 3.890 20 30 GHEDLO C=C[C@H](C)Oc1[nH]c2ccc(C#N)cc2c1-c1ccc(C[NH+]2CCOCC2)cn1 ZINC001229569772 1033562774 /nfs/dbraw/zinc/56/27/74/1033562774.db2.gz YOAOODAEYLGRJD-INIZCTEOSA-N 1 2 388.471 3.887 20 30 GHEDLO Cc1nc(O[C@@H]2CCCC3(C2)OCCO3)c(C#N)cc1-c1ccc2[nH+]ccn2c1 ZINC001229768925 1033699311 /nfs/dbraw/zinc/69/93/11/1033699311.db2.gz PCGOQFRKACPOTB-GOSISDBHSA-N 1 2 390.443 3.641 20 30 GHEDLO N#Cc1ccc2cc[nH+]c(N3CCN(c4ccc(-c5ncccn5)cc4)CC3)c2c1 ZINC001158511906 1034118806 /nfs/dbraw/zinc/11/88/06/1034118806.db2.gz MQVFGQBTVZQATE-UHFFFAOYSA-N 1 2 392.466 3.890 20 30 GHEDLO COC(=O)c1ccc(-c2ccc(N3CC(Oc4ccccc4C#N)C3)[nH+]c2C)cc1 ZINC001158772961 1034267068 /nfs/dbraw/zinc/26/70/68/1034267068.db2.gz NTMMINKXKIOSFK-UHFFFAOYSA-N 1 2 399.450 3.983 20 30 GHEDLO Cc1cc(Cl)nc(Cl)c1C[NH+]1CCC2(C[C@H]2C(=O)NCCCC#N)CC1 ZINC001277507470 1034521142 /nfs/dbraw/zinc/52/11/42/1034521142.db2.gz POSOKDQYJMAIAJ-HNNXBMFYSA-N 1 2 395.334 3.719 20 30 GHEDLO CS(=O)(=O)c1ccc([C@H](Nc2cc(CC#N)cc[nH+]2)c2ccccc2)cc1 ZINC001160357098 1034954149 /nfs/dbraw/zinc/95/41/49/1034954149.db2.gz VESQAWCGUROBON-OAQYLSRUSA-N 1 2 377.469 3.753 20 30 GHEDLO O[C@]1(C(F)(F)F)CC[N@H+](Cc2cnc(C(F)(F)F)cc2Cl)CC[C@@H]1F ZINC001231899257 1034977471 /nfs/dbraw/zinc/97/74/71/1034977471.db2.gz DGKNWFMGFXMCGJ-CMPLNLGQSA-N 1 2 394.718 3.981 20 30 GHEDLO O[C@]1(C(F)(F)F)CC[N@@H+](Cc2cnc(C(F)(F)F)cc2Cl)CC[C@@H]1F ZINC001231899257 1034977477 /nfs/dbraw/zinc/97/74/77/1034977477.db2.gz DGKNWFMGFXMCGJ-CMPLNLGQSA-N 1 2 394.718 3.981 20 30 GHEDLO N#C[C@@H]1CCC[N@@H+](CCc2c(Br)ccnc2Br)CC1 ZINC001208808309 1035032185 /nfs/dbraw/zinc/03/21/85/1035032185.db2.gz NABWCMPMINTUFH-LLVKDONJSA-N 1 2 387.119 3.775 20 30 GHEDLO N#C[C@@H]1CCC[N@H+](CCc2c(Br)ccnc2Br)CC1 ZINC001208808309 1035032192 /nfs/dbraw/zinc/03/21/92/1035032192.db2.gz NABWCMPMINTUFH-LLVKDONJSA-N 1 2 387.119 3.775 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[N@H+](CCCc2cccc(C#N)c2)C[C@@H]1C(F)(F)F ZINC001208860679 1035063946 /nfs/dbraw/zinc/06/39/46/1035063946.db2.gz RUNQBZZWQFYCKP-QGZVFWFLSA-N 1 2 397.441 3.974 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[N@@H+](CCCc2cccc(C#N)c2)C[C@@H]1C(F)(F)F ZINC001208860679 1035063957 /nfs/dbraw/zinc/06/39/57/1035063957.db2.gz RUNQBZZWQFYCKP-QGZVFWFLSA-N 1 2 397.441 3.974 20 30 GHEDLO CCCCCCCC(=O)c1ccc(O)c(C(=O)N2C[C@@H]([NH3+])CC(F)(F)C2)c1 ZINC001160973387 1035109720 /nfs/dbraw/zinc/10/97/20/1035109720.db2.gz UIZSVSQFWJNNMX-HNNXBMFYSA-N 1 2 382.451 3.744 20 30 GHEDLO C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1c(Cl)ccc(Cl)c1Cl)CC2 ZINC001276620413 1035195092 /nfs/dbraw/zinc/19/50/92/1035195092.db2.gz HWUTXNKTSXUELL-ZDUSSCGKSA-N 1 2 385.722 3.998 20 30 GHEDLO CN1CC[NH+](CCNc2ccc(-c3cc(CC#N)cc4ccccc43)cn2)CC1 ZINC001241573119 1035626471 /nfs/dbraw/zinc/62/64/71/1035626471.db2.gz JZKXOKWLZQFXKQ-UHFFFAOYSA-N 1 2 385.515 3.627 20 30 GHEDLO C=CC[C@]1(C(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)CCCN1C(=O)OC(C)(C)C ZINC001462261633 1070129588 /nfs/dbraw/zinc/12/95/88/1070129588.db2.gz ZGGLRVJIWSNVLC-AUSIDOKSSA-N 1 2 399.535 3.635 20 30 GHEDLO C=CC[C@]1(C(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)CCCN1C(=O)OC(C)(C)C ZINC001462261633 1070129592 /nfs/dbraw/zinc/12/95/92/1070129592.db2.gz ZGGLRVJIWSNVLC-AUSIDOKSSA-N 1 2 399.535 3.635 20 30 GHEDLO N#Cc1cc(Cl)ccc1CN1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001232607900 1038393034 /nfs/dbraw/zinc/39/30/34/1038393034.db2.gz QQUUYMPDUVKVJT-INIZCTEOSA-N 1 2 393.878 3.514 20 30 GHEDLO CC(C)(C)OC(=O)N1CCCC2(CC[NH+](Cc3cc(C#N)ccc3O)CC2)C1 ZINC001232674471 1038471847 /nfs/dbraw/zinc/47/18/47/1038471847.db2.gz AACVNWKLEODOJA-UHFFFAOYSA-N 1 2 385.508 3.877 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@H](C[N@H+](Cc2cc(C#N)ccc2O)C2CC2)C1 ZINC001232681028 1038477172 /nfs/dbraw/zinc/47/71/72/1038477172.db2.gz KDPAXVRBMHYZIJ-KRWDZBQOSA-N 1 2 385.508 3.875 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@H](C[N@@H+](Cc2cc(C#N)ccc2O)C2CC2)C1 ZINC001232681028 1038477180 /nfs/dbraw/zinc/47/71/80/1038477180.db2.gz KDPAXVRBMHYZIJ-KRWDZBQOSA-N 1 2 385.508 3.875 20 30 GHEDLO C#C[C@@H]([NH2+]Cc1ncc(Br)cc1O)c1ccc(Br)cc1 ZINC001462277057 1070137607 /nfs/dbraw/zinc/13/76/07/1070137607.db2.gz JANFTMRFYQWVGX-CYBMUJFWSA-N 1 2 396.082 3.776 20 30 GHEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1ccc(CCCCCC)s1)C2 ZINC001277704707 1038515449 /nfs/dbraw/zinc/51/54/49/1038515449.db2.gz RTSWBQWSAJAUHO-UHFFFAOYSA-N 1 2 376.566 3.860 20 30 GHEDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Br)c(C#N)c2)C1 ZINC001232895939 1038690872 /nfs/dbraw/zinc/69/08/72/1038690872.db2.gz XJSQQLYGJAGZNH-CQSZACIVSA-N 1 2 379.298 3.874 20 30 GHEDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Br)c(C#N)c2)C1 ZINC001232895939 1038690966 /nfs/dbraw/zinc/69/09/66/1038690966.db2.gz XJSQQLYGJAGZNH-CQSZACIVSA-N 1 2 379.298 3.874 20 30 GHEDLO C=C[C@](C)(O)CNc1[nH+]cnc2c1c(-c1cc3cc(O)ccc3[nH]1)nn2C(C)C ZINC001252545559 1039028559 /nfs/dbraw/zinc/02/85/59/1039028559.db2.gz KPWCTLGBGDLTQF-NRFANRHFSA-N 1 2 392.463 3.610 20 30 GHEDLO C=CCC[C@H](O)CNc1c[nH+]cc(F)c1N1CCC(C(=O)OC(C)(C)C)CC1 ZINC001252593921 1039039902 /nfs/dbraw/zinc/03/99/02/1039039902.db2.gz PFOWOUNISDVGNJ-INIZCTEOSA-N 1 2 393.503 3.518 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1C[C@@H](O)CCCCCCCCCC ZINC001252980832 1039309967 /nfs/dbraw/zinc/30/99/67/1039309967.db2.gz ZOYKSEIOEUIGBR-PZJWPPBQSA-N 1 2 392.588 3.809 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1C[C@@H](O)CCCCCCCCCC ZINC001252980832 1039309983 /nfs/dbraw/zinc/30/99/83/1039309983.db2.gz ZOYKSEIOEUIGBR-PZJWPPBQSA-N 1 2 392.588 3.809 20 30 GHEDLO COc1cc(O)c(C(=O)/C=C/c2ccccc2)c(O[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC001233823141 1039643761 /nfs/dbraw/zinc/64/37/61/1039643761.db2.gz PKDNDFPAOJYIFS-UGAXZCSASA-N 1 2 390.439 3.887 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[NH+](Cc2ccc(O[C@@H]3CC[C@@H](C#N)C3)cc2)CC1 ZINC001234057908 1039792746 /nfs/dbraw/zinc/79/27/46/1039792746.db2.gz BGZJRNTWILCLIA-UYAOXDASSA-N 1 2 385.508 3.810 20 30 GHEDLO N#CCCCN1CC[C@]2(CCC[N@H+]2Cc2cc(Cl)c(Cl)cc2O)C1=O ZINC001277829552 1039804916 /nfs/dbraw/zinc/80/49/16/1039804916.db2.gz GIRHDFIMSOCORV-GOSISDBHSA-N 1 2 382.291 3.570 20 30 GHEDLO N#CCCCN1CC[C@]2(CCC[N@@H+]2Cc2cc(Cl)c(Cl)cc2O)C1=O ZINC001277829552 1039804931 /nfs/dbraw/zinc/80/49/31/1039804931.db2.gz GIRHDFIMSOCORV-GOSISDBHSA-N 1 2 382.291 3.570 20 30 GHEDLO COC(=O)C1([NH2+]C2CCC(C#N)(c3ccc(F)cc3)CC2)Cc2ccccc2C1 ZINC001254340816 1040177521 /nfs/dbraw/zinc/17/75/21/1040177521.db2.gz BAUXTSIDIWYMBS-UHFFFAOYSA-N 1 2 392.474 3.830 20 30 GHEDLO COC(=O)c1cc(Cl)c(O[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)cc1F ZINC001234957944 1040462923 /nfs/dbraw/zinc/46/29/23/1040462923.db2.gz IYMVCWPCMGDCQI-HNNXBMFYSA-N 1 2 388.826 3.791 20 30 GHEDLO COC(=O)c1cc(Cl)c(O[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)cc1F ZINC001234957944 1040462932 /nfs/dbraw/zinc/46/29/32/1040462932.db2.gz IYMVCWPCMGDCQI-HNNXBMFYSA-N 1 2 388.826 3.791 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC12CC[NH+](Cc1c(F)cc(C#N)cc1F)CC2 ZINC001235651281 1041095776 /nfs/dbraw/zinc/09/57/76/1041095776.db2.gz LMWVYUKOTJJYPA-UHFFFAOYSA-N 1 2 377.435 3.812 20 30 GHEDLO CCOC(=O)C1(C#N)CC[NH+]([C@H](C)Cc2cccc(Br)c2)CC1 ZINC001256189280 1041633145 /nfs/dbraw/zinc/63/31/45/1041633145.db2.gz BUTMVJPBUHADFN-CQSZACIVSA-N 1 2 379.298 3.549 20 30 GHEDLO CCOc1ncc(C[NH+]2CCC(Oc3ccc(C#N)cc3OC)CC2)cc1F ZINC001236699265 1041840276 /nfs/dbraw/zinc/84/02/76/1041840276.db2.gz CNIYAQNRULWARY-UHFFFAOYSA-N 1 2 385.439 3.543 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCC(Oc3ccc(F)cn3)CC2)cc1Br ZINC001236861569 1041931868 /nfs/dbraw/zinc/93/18/68/1041931868.db2.gz ULYUCOUUFGNKLZ-UHFFFAOYSA-N 1 2 390.256 3.898 20 30 GHEDLO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)c(Br)c1 ZINC001236863662 1041933657 /nfs/dbraw/zinc/93/36/57/1041933657.db2.gz MLYDERBUBCDMNX-HNNXBMFYSA-N 1 2 394.313 3.810 20 30 GHEDLO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)c(Br)c1 ZINC001236863662 1041933661 /nfs/dbraw/zinc/93/36/61/1041933661.db2.gz MLYDERBUBCDMNX-HNNXBMFYSA-N 1 2 394.313 3.810 20 30 GHEDLO COCCOc1cccc(N2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)c1 ZINC001238084818 1042486489 /nfs/dbraw/zinc/48/64/89/1042486489.db2.gz NTTDLCYZBVMEMK-UHFFFAOYSA-N 1 2 385.895 3.559 20 30 GHEDLO CN(Cc1ccco1)[C@@H]1C[N@H+](Cc2ccc(Cl)c(C#N)c2)[C@@H]2CCCO[C@H]12 ZINC001238192210 1042515504 /nfs/dbraw/zinc/51/55/04/1042515504.db2.gz ZCRJFNMQFKZRTR-NJYVYQBISA-N 1 2 385.895 3.668 20 30 GHEDLO CN(Cc1ccco1)[C@@H]1C[N@@H+](Cc2ccc(Cl)c(C#N)c2)[C@@H]2CCCO[C@H]12 ZINC001238192210 1042515505 /nfs/dbraw/zinc/51/55/05/1042515505.db2.gz ZCRJFNMQFKZRTR-NJYVYQBISA-N 1 2 385.895 3.668 20 30 GHEDLO COc1ccc(OC)c(C[NH+]2CCN(Cc3ccc(Cl)c(C#N)c3)CC2)c1 ZINC001238194422 1042516146 /nfs/dbraw/zinc/51/61/46/1042516146.db2.gz MPZGVVUTVJYDGB-UHFFFAOYSA-N 1 2 385.895 3.547 20 30 GHEDLO Cn1cc(CN2CCC23C[NH+](CCc2ccc(Cl)cc2Cl)C3)cc1C#N ZINC001278216282 1042552034 /nfs/dbraw/zinc/55/20/34/1042552034.db2.gz PQMZMCXQBHBWSA-UHFFFAOYSA-N 1 2 389.330 3.706 20 30 GHEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2cncc(-c3ccc(F)cc3OC)c2)CC1 ZINC001238551282 1042637134 /nfs/dbraw/zinc/63/71/34/1042637134.db2.gz JYDODNDXQNVSBM-UHFFFAOYSA-N 1 2 397.450 3.565 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(F)c(-c2ccncc2)c1 ZINC001238553953 1042637743 /nfs/dbraw/zinc/63/77/43/1042637743.db2.gz BROPHQQJBLCJQK-QFIPXVFZSA-N 1 2 392.478 3.923 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(F)c(-c2ccncc2)c1 ZINC001238553953 1042637747 /nfs/dbraw/zinc/63/77/47/1042637747.db2.gz BROPHQQJBLCJQK-QFIPXVFZSA-N 1 2 392.478 3.923 20 30 GHEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+]([C@H]1COc3ccc(Cl)cc3C1)CCO2 ZINC001257964364 1044282401 /nfs/dbraw/zinc/28/24/01/1044282401.db2.gz RHFKIGUMEZZNDK-FBBABVLZSA-N 1 2 377.912 3.717 20 30 GHEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+]([C@H]1COc3ccc(Cl)cc3C1)CCO2 ZINC001257964364 1044282415 /nfs/dbraw/zinc/28/24/15/1044282415.db2.gz RHFKIGUMEZZNDK-FBBABVLZSA-N 1 2 377.912 3.717 20 30 GHEDLO C/C(=C/C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C[NH+]1CCOCC1 ZINC001296262438 1045289931 /nfs/dbraw/zinc/28/99/31/1045289931.db2.gz PTXNCMVQOIUCDM-BSKAQADGSA-N 1 2 389.499 3.681 20 30 GHEDLO C=C(C)CCC(=O)N(CCCn1cc[nH+]c1)c1ccc(Br)cn1 ZINC001262801506 1046350490 /nfs/dbraw/zinc/35/04/90/1046350490.db2.gz WCZPENHMBCHZEO-UHFFFAOYSA-N 1 2 377.286 3.820 20 30 GHEDLO C=CCN(C)c1nnc(CC(C)(C)C)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001301296549 1046461049 /nfs/dbraw/zinc/46/10/49/1046461049.db2.gz ISBKJFHUJMQZGM-FQEVSTJZSA-N 1 2 397.567 3.562 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC(CSC)CC1 ZINC001262980304 1046464870 /nfs/dbraw/zinc/46/48/70/1046464870.db2.gz IOLPSEYCWXQTOY-GOSISDBHSA-N 1 2 388.585 3.876 20 30 GHEDLO C#C[C@@H](C)N(C)c1nnc(-c2ccccc2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001286290508 1048258204 /nfs/dbraw/zinc/25/82/04/1048258204.db2.gz QSEKJMWUWPHTLY-GOSISDBHSA-N 1 2 388.519 3.693 20 30 GHEDLO C#CCN(C)c1nnc(CC(C)(C)C)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001286377150 1048297522 /nfs/dbraw/zinc/29/75/22/1048297522.db2.gz SVRPVPQVGROJQC-UHFFFAOYSA-N 1 2 394.567 3.616 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CC(=C)C)CC1 ZINC001286473892 1048335683 /nfs/dbraw/zinc/33/56/83/1048335683.db2.gz UPLHGYSDLXAWJX-UHFFFAOYSA-N 1 2 395.576 3.607 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2Cc2cc3ccccc3s2)CC1 ZINC001286472278 1048336354 /nfs/dbraw/zinc/33/63/54/1048336354.db2.gz ROQYGNZPBIIUPS-KRWDZBQOSA-N 1 2 393.560 3.810 20 30 GHEDLO C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001286687809 1048449313 /nfs/dbraw/zinc/44/93/13/1048449313.db2.gz SPYOYFYZVWXEPT-IBGZPJMESA-N 1 2 396.539 3.598 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@H+]2Cc3cccnc3N3CCC[C@@H]3C2)c1 ZINC001308017650 1049766837 /nfs/dbraw/zinc/76/68/37/1049766837.db2.gz MHOJTDLKAKJSEY-QGZVFWFLSA-N 1 2 383.293 3.700 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@@H+]2Cc3cccnc3N3CCC[C@@H]3C2)c1 ZINC001308017650 1049766849 /nfs/dbraw/zinc/76/68/49/1049766849.db2.gz MHOJTDLKAKJSEY-QGZVFWFLSA-N 1 2 383.293 3.700 20 30 GHEDLO C=CC[C@H]1NC(=O)N(Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)C1=O ZINC001332405172 1051514758 /nfs/dbraw/zinc/51/47/58/1051514758.db2.gz RXKRXFJBBVYCSQ-OAQYLSRUSA-N 1 2 386.455 3.595 20 30 GHEDLO C#C[C@H](C)NC(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC001312934570 1052915330 /nfs/dbraw/zinc/91/53/30/1052915330.db2.gz OWCCYBDHLSKUIO-LAUBAEHRSA-N 1 2 381.907 3.778 20 30 GHEDLO C=C(C)Cn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCCO[C@@H](C)C1 ZINC001343456792 1053782659 /nfs/dbraw/zinc/78/26/59/1053782659.db2.gz IOKSXLMKEJUZJB-RBUKOAKNSA-N 1 2 383.540 3.662 20 30 GHEDLO C=C(C)Cn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCCO[C@@H](C)C1 ZINC001343456792 1053782668 /nfs/dbraw/zinc/78/26/68/1053782668.db2.gz IOKSXLMKEJUZJB-RBUKOAKNSA-N 1 2 383.540 3.662 20 30 GHEDLO CC(C)Cn1c(Cc2[nH+]ccn2Cc2ccccc2)nnc1N(C)[C@@H](C)CC#N ZINC001344520885 1054539394 /nfs/dbraw/zinc/53/93/94/1054539394.db2.gz WDBUYPAAYOZUGI-SFHVURJKSA-N 1 2 391.523 3.508 20 30 GHEDLO N#CCn1c(=O)c2ccccc2nc1C[N@@H+]1C[C@H]2CCCC[C@@]21c1ccccc1 ZINC001319375181 1055212057 /nfs/dbraw/zinc/21/20/57/1055212057.db2.gz QVVQGMFLJGOSTE-NTKDMRAZSA-N 1 2 384.483 3.821 20 30 GHEDLO N#CCn1c(=O)c2ccccc2nc1C[N@H+]1C[C@H]2CCCC[C@@]21c1ccccc1 ZINC001319375181 1055212064 /nfs/dbraw/zinc/21/20/64/1055212064.db2.gz QVVQGMFLJGOSTE-NTKDMRAZSA-N 1 2 384.483 3.821 20 30 GHEDLO C[C@@H]1CN(c2ccccc2C=[NH+]Nc2cncc(Br)c2)CCO1 ZINC001320229600 1055715973 /nfs/dbraw/zinc/71/59/73/1055715973.db2.gz LXIFDNUBTRIAEZ-CYBMUJFWSA-N 1 2 375.270 3.515 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](CN3CC[C@@H](c4ccccc4)C3=O)CC2)c(F)c1 ZINC001321833571 1056412791 /nfs/dbraw/zinc/41/27/91/1056412791.db2.gz MEYVZHAJYMGCLU-FQEVSTJZSA-N 1 2 393.462 3.514 20 30 GHEDLO CN(C)c1[nH+]cccc1/C=C/C(=O)c1ccccc1I ZINC001323544324 1056983920 /nfs/dbraw/zinc/98/39/20/1056983920.db2.gz GOJWSFIPYFVUII-MDZDMXLPSA-N 1 2 378.213 3.648 20 30 GHEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1Cc2ccc(Cl)cc2C1 ZINC001355875336 1057301826 /nfs/dbraw/zinc/30/18/26/1057301826.db2.gz BAZNBVKKDIWOCX-MOPGFXCFSA-N 1 2 399.926 3.564 20 30 GHEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1Cc2ccc(Cl)cc2C1 ZINC001355875336 1057301831 /nfs/dbraw/zinc/30/18/31/1057301831.db2.gz BAZNBVKKDIWOCX-MOPGFXCFSA-N 1 2 399.926 3.564 20 30 GHEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC[C@H]1c1cccs1 ZINC001355886406 1057305229 /nfs/dbraw/zinc/30/52/29/1057305229.db2.gz GIXOKUWHLQFYDT-DLBZAZTESA-N 1 2 387.553 3.649 20 30 GHEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC[C@H]1c1cccs1 ZINC001355886406 1057305235 /nfs/dbraw/zinc/30/52/35/1057305235.db2.gz GIXOKUWHLQFYDT-DLBZAZTESA-N 1 2 387.553 3.649 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CC(C)(C)C[C@@H]1c1ccccc1 ZINC001356152711 1057410264 /nfs/dbraw/zinc/41/02/64/1057410264.db2.gz KUCLJFKHVCLKLR-GOSISDBHSA-N 1 2 376.508 3.766 20 30 GHEDLO CC[C@H]1c2ccsc2CCN1c1nnc(C2CC[NH+](CCC#N)CC2)n1CC ZINC001356378696 1057494112 /nfs/dbraw/zinc/49/41/12/1057494112.db2.gz OEUCGOPLAAVKKL-SFHVURJKSA-N 1 2 398.580 3.966 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@@H](c2cccc(C)c2)C1 ZINC001356379369 1057495258 /nfs/dbraw/zinc/49/52/58/1057495258.db2.gz UVWXZXBOFLMAQW-OAQYLSRUSA-N 1 2 392.551 3.693 20 30 GHEDLO Cc1ccccc1[C@H]1C[C@@H](C)N(c2nnc(C3CC[NH+](CCC#N)CC3)n2C)C1 ZINC001338924480 1058884838 /nfs/dbraw/zinc/88/48/38/1058884838.db2.gz MACBBXVJHCQABK-QUCCMNQESA-N 1 2 392.551 3.599 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[C@@H](COCc2ccccc2)C1 ZINC001339528726 1059279030 /nfs/dbraw/zinc/27/90/30/1059279030.db2.gz LNNQLIYLJBLDRG-NHCUHLMSSA-N 1 2 395.551 3.664 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@H](COCc2ccccc2)C1 ZINC001339528726 1059279048 /nfs/dbraw/zinc/27/90/48/1059279048.db2.gz LNNQLIYLJBLDRG-NHCUHLMSSA-N 1 2 395.551 3.664 20 30 GHEDLO CN(c1nnc([C@H]2CCCC[N@@H+]2C)n1Cc1ccccc1)[C@H]1CCC[C@@H]1C#N ZINC001340515121 1059958692 /nfs/dbraw/zinc/95/86/92/1059958692.db2.gz WONWJYPOYYUDLP-HSALFYBXSA-N 1 2 378.524 3.612 20 30 GHEDLO CN(c1nnc([C@H]2CCCC[N@H+]2C)n1Cc1ccccc1)[C@H]1CCC[C@@H]1C#N ZINC001340515121 1059958694 /nfs/dbraw/zinc/95/86/94/1059958694.db2.gz WONWJYPOYYUDLP-HSALFYBXSA-N 1 2 378.524 3.612 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@@H](c2ccccc2C)C1 ZINC001341037494 1060348884 /nfs/dbraw/zinc/34/88/84/1060348884.db2.gz YCVLFCTZYFLUAL-HXUWFJFHSA-N 1 2 392.551 3.693 20 30 GHEDLO C=CCn1c(-c2ccco2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001341301964 1060564565 /nfs/dbraw/zinc/56/45/65/1060564565.db2.gz AMBAGZJAWWFCIF-UHFFFAOYSA-N 1 2 383.883 3.700 20 30 GHEDLO Cc1cc(C#N)c(=O)[nH]c1C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC001452097820 1060900548 /nfs/dbraw/zinc/90/05/48/1060900548.db2.gz GHHHRCNFWDGRNG-UHFFFAOYSA-N 1 2 396.516 3.798 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N(C)[C@@H]1CCC[C@@H]1C#N ZINC001342035393 1061011067 /nfs/dbraw/zinc/01/10/67/1061011067.db2.gz MYEZOUOUFZUWMN-GUDVDZBRSA-N 1 2 381.528 3.815 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N(C)[C@H]1CCC[C@@H]1C#N ZINC001342035276 1061011523 /nfs/dbraw/zinc/01/15/23/1061011523.db2.gz MYEZOUOUFZUWMN-CEXWTWQISA-N 1 2 381.528 3.815 20 30 GHEDLO N#CCC[NH+]1CCC(c2nnc(N(CC3CC3)C3CCC3)n2CC2CC2)CC1 ZINC001346602457 1061720847 /nfs/dbraw/zinc/72/08/47/1061720847.db2.gz MYTUSPISOAWBGX-UHFFFAOYSA-N 1 2 382.556 3.550 20 30 GHEDLO N#CCC[NH+]1CCC(c2nnc(N3CCC[C@H]4CCC[C@@H]43)n2CC2CC2)CC1 ZINC001346602816 1061722767 /nfs/dbraw/zinc/72/27/67/1061722767.db2.gz RDYLVIAEBHJSLE-QUCCMNQESA-N 1 2 382.556 3.550 20 30 GHEDLO C[C@H](c1nnc(N2CCC(C#N)CC2)n1CC1CC1)[N@H+](C)Cc1ccccc1 ZINC001346851101 1061937366 /nfs/dbraw/zinc/93/73/66/1061937366.db2.gz ZXCKGCGLTXECFC-QGZVFWFLSA-N 1 2 378.524 3.621 20 30 GHEDLO C[C@H](c1nnc(N2CCC(C#N)CC2)n1CC1CC1)[N@@H+](C)Cc1ccccc1 ZINC001346851101 1061937371 /nfs/dbraw/zinc/93/73/71/1061937371.db2.gz ZXCKGCGLTXECFC-QGZVFWFLSA-N 1 2 378.524 3.621 20 30 GHEDLO C=CCN(c1nnc([C@@H](CC(C)C)n2cc[nH+]c2)n1C[C@H]1CCCCO1)C1CC1 ZINC001347096297 1062112299 /nfs/dbraw/zinc/11/22/99/1062112299.db2.gz YVLCRCGDWVMTRU-WOJBJXKFSA-N 1 2 398.555 3.834 20 30 GHEDLO CC(C)Cn1c(N2CCC(Nc3cccc[nH+]3)CC2)nnc1C1(C#N)CCCC1 ZINC001347524808 1062468147 /nfs/dbraw/zinc/46/81/47/1062468147.db2.gz SAOJBWJUGLQQCT-UHFFFAOYSA-N 1 2 393.539 3.745 20 30 GHEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001348644648 1063257519 /nfs/dbraw/zinc/25/75/19/1063257519.db2.gz PAOVPHGAZSIPAD-SJLPKXTDSA-N 1 2 380.492 3.683 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cc(C)c(C#N)c(C)c2)[C@@H](C)C1 ZINC001459413699 1064090643 /nfs/dbraw/zinc/09/06/43/1064090643.db2.gz NUDCRRAQTXMFMC-IBGZPJMESA-N 1 2 391.515 3.920 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cc(C)c(C#N)c(C)c2)[C@@H](C)C1 ZINC001459413699 1064090647 /nfs/dbraw/zinc/09/06/47/1064090647.db2.gz NUDCRRAQTXMFMC-IBGZPJMESA-N 1 2 391.515 3.920 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC[C@H](COCC)C1 ZINC001351981861 1064745851 /nfs/dbraw/zinc/74/58/51/1064745851.db2.gz UMGDNCJSNPEHJZ-RBUKOAKNSA-N 1 2 386.544 3.549 20 30 GHEDLO C#C[C@@H](C)N(C)c1nnc(C(C)C)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001300272839 1065902516 /nfs/dbraw/zinc/90/25/16/1065902516.db2.gz NWEYINIXTNOXEP-GOSISDBHSA-N 1 2 380.540 3.683 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(C4CC4)c(C#N)c3)CC2)cc1 ZINC001467211180 1067154407 /nfs/dbraw/zinc/15/44/07/1067154407.db2.gz ZCNVKOKFVHCFSI-UHFFFAOYSA-N 1 2 385.471 3.657 20 30 GHEDLO CCN(CC1CC1)c1nnc(C2CC[NH+](CCC#N)CC2)n1Cc1ccccc1 ZINC001357873637 1067314611 /nfs/dbraw/zinc/31/46/11/1067314611.db2.gz OBJBOEHTLOEVGU-UHFFFAOYSA-N 1 2 392.551 3.656 20 30 GHEDLO C=CCCC(C)(C)NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC001478351775 1078828198 /nfs/dbraw/zinc/82/81/98/1078828198.db2.gz KLQFWGCQMGFOOA-ROUUACIJSA-N 1 2 379.932 3.756 20 30 GHEDLO C=CCCC(C)(C)NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC001478351775 1078828205 /nfs/dbraw/zinc/82/82/05/1078828205.db2.gz KLQFWGCQMGFOOA-ROUUACIJSA-N 1 2 379.932 3.756 20 30 GHEDLO C=CC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC001473114360 1073786339 /nfs/dbraw/zinc/78/63/39/1073786339.db2.gz AKKZLUSXWWMAKN-INIZCTEOSA-N 1 2 384.476 3.686 20 30 GHEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC001473114360 1073786349 /nfs/dbraw/zinc/78/63/49/1073786349.db2.gz AKKZLUSXWWMAKN-INIZCTEOSA-N 1 2 384.476 3.686 20 30 GHEDLO Cc1cccn2cc(CC(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)[nH+]c12 ZINC000608847381 837545459 /nfs/dbraw/zinc/54/54/59/837545459.db2.gz MCGAOADWDWKBFS-UHFFFAOYSA-N 1 2 383.411 3.883 20 30 GHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000177005378 837826363 /nfs/dbraw/zinc/82/63/63/837826363.db2.gz QQCUFZYJASTUCO-PXNSSMCTSA-N 1 2 375.428 3.793 20 30 GHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000177005378 837826379 /nfs/dbraw/zinc/82/63/79/837826379.db2.gz QQCUFZYJASTUCO-PXNSSMCTSA-N 1 2 375.428 3.793 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000431593860 835065007 /nfs/dbraw/zinc/06/50/07/835065007.db2.gz ABAXFTOHTXNKSP-AEFFLSMTSA-N 1 2 396.516 3.568 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000431593860 835065018 /nfs/dbraw/zinc/06/50/18/835065018.db2.gz ABAXFTOHTXNKSP-AEFFLSMTSA-N 1 2 396.516 3.568 20 30 GHEDLO COc1cc(C#N)ccc1OCCN1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000578102903 835235649 /nfs/dbraw/zinc/23/56/49/835235649.db2.gz FGTWROLMGWQZMZ-KRWDZBQOSA-N 1 2 399.922 3.978 20 30 GHEDLO C#CCOc1ccccc1NC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000188084940 835821712 /nfs/dbraw/zinc/82/17/12/835821712.db2.gz NMXKDMXKMUWPOQ-UHFFFAOYSA-N 1 2 392.503 3.864 20 30 GHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000512542333 844111000 /nfs/dbraw/zinc/11/10/00/844111000.db2.gz NSHBRKKBQQEADT-SFHVURJKSA-N 1 2 386.515 3.729 20 30 GHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000512542333 844111009 /nfs/dbraw/zinc/11/10/09/844111009.db2.gz NSHBRKKBQQEADT-SFHVURJKSA-N 1 2 386.515 3.729 20 30 GHEDLO N#CCCC[C@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000431850955 837886149 /nfs/dbraw/zinc/88/61/49/837886149.db2.gz LQKDHLDCAWDNIM-FQEVSTJZSA-N 1 2 377.492 3.785 20 30 GHEDLO C[C@]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)(C(N)=O)c1cccc(Cl)c1 ZINC000177390746 837935882 /nfs/dbraw/zinc/93/58/82/837935882.db2.gz KIGZWXHDBMLKAJ-GOSISDBHSA-N 1 2 380.797 3.701 20 30 GHEDLO N#Cc1cc(O)cc(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1 ZINC000614363150 844294475 /nfs/dbraw/zinc/29/44/75/844294475.db2.gz IYNJAJUDWGROBQ-GOSISDBHSA-N 1 2 387.842 3.623 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1F ZINC000610341030 838563743 /nfs/dbraw/zinc/56/37/43/838563743.db2.gz NCANVEQMFPPQLH-GJZGRUSLSA-N 1 2 387.430 3.959 20 30 GHEDLO C=CCn1c(=S)n(CN2CCC(n3cc[nH+]c3)CC2)nc1-c1cccs1 ZINC000160371385 838859753 /nfs/dbraw/zinc/85/97/53/838859753.db2.gz HZFOEKMYAVCFRK-UHFFFAOYSA-N 1 2 386.550 3.820 20 30 GHEDLO N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCC[N@@H+]3Cc3ccccn3)cn2)cc1 ZINC000610422510 839272680 /nfs/dbraw/zinc/27/26/80/839272680.db2.gz NAXSTALGWOTUOU-OAQYLSRUSA-N 1 2 399.454 3.744 20 30 GHEDLO N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCC[N@H+]3Cc3ccccn3)cn2)cc1 ZINC000610422510 839272694 /nfs/dbraw/zinc/27/26/94/839272694.db2.gz NAXSTALGWOTUOU-OAQYLSRUSA-N 1 2 399.454 3.744 20 30 GHEDLO C[C@@H](O[NH+]=C(N)c1ccc(OCc2cccnc2)cc1)c1nc(C(C)(C)C)no1 ZINC000174131355 839464259 /nfs/dbraw/zinc/46/42/59/839464259.db2.gz IXYITRNRUYVEIH-CQSZACIVSA-N 1 2 395.463 3.739 20 30 GHEDLO NC(=[NH+]OCc1nc(-c2ccoc2)no1)c1ccc(OCc2ccccc2)cc1 ZINC000174127954 839464529 /nfs/dbraw/zinc/46/45/29/839464529.db2.gz QJDMEPHBIFIXTO-UHFFFAOYSA-N 1 2 390.399 3.746 20 30 GHEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000580941307 840481592 /nfs/dbraw/zinc/48/15/92/840481592.db2.gz XWQIPMNOQPFZEY-QFIPXVFZSA-N 1 2 399.498 3.722 20 30 GHEDLO C=CCn1c(-c2cccc(Cl)c2)nn(C[N@H+](C)C[C@@H]2CCOC2)c1=S ZINC000162446347 841067904 /nfs/dbraw/zinc/06/79/04/841067904.db2.gz LROCQVIYHSMDLP-AWEZNQCLSA-N 1 2 378.929 3.846 20 30 GHEDLO C=CCn1c(-c2cccc(Cl)c2)nn(C[N@@H+](C)C[C@@H]2CCOC2)c1=S ZINC000162446347 841067916 /nfs/dbraw/zinc/06/79/16/841067916.db2.gz LROCQVIYHSMDLP-AWEZNQCLSA-N 1 2 378.929 3.846 20 30 GHEDLO COc1cccc(SC)c1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000417673461 841120788 /nfs/dbraw/zinc/12/07/88/841120788.db2.gz WCIWDZRGNITZGH-UHFFFAOYSA-N 1 2 396.516 3.638 20 30 GHEDLO C=CCn1c(N(CC)CC2CCN(c3cccc[nH+]3)CC2)nnc1C(C)(C)C ZINC000558452391 841168800 /nfs/dbraw/zinc/16/88/00/841168800.db2.gz HUZPYCHHKNCLFH-UHFFFAOYSA-N 1 2 382.556 3.900 20 30 GHEDLO N#CCCOCCN1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000549531944 841435572 /nfs/dbraw/zinc/43/55/72/841435572.db2.gz LLMNOPXGELHMQA-QFIPXVFZSA-N 1 2 383.923 3.977 20 30 GHEDLO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000581658097 841921755 /nfs/dbraw/zinc/92/17/55/841921755.db2.gz NZTDKHHJESYDBT-WDSOQIARSA-N 1 2 380.492 3.681 20 30 GHEDLO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000581658097 841921757 /nfs/dbraw/zinc/92/17/57/841921757.db2.gz NZTDKHHJESYDBT-WDSOQIARSA-N 1 2 380.492 3.681 20 30 GHEDLO CC(C)Oc1ccc(NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1C#N ZINC000157894782 842027186 /nfs/dbraw/zinc/02/71/86/842027186.db2.gz TZAYOCIXXNFDHE-INIZCTEOSA-N 1 2 381.480 3.566 20 30 GHEDLO Cc1cc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cnc1N1CCCC[C@@H]1C ZINC000329335931 861297094 /nfs/dbraw/zinc/29/70/94/861297094.db2.gz LNBVXCFFAXXIPG-INIZCTEOSA-N 1 2 382.512 3.917 20 30 GHEDLO Cc1cn2cc(NC(=O)CN3C(=O)N[C@@]4(C[C@H](C)CC(C)(C)C4)C3=O)ccc2[nH+]1 ZINC000328828122 842350379 /nfs/dbraw/zinc/35/03/79/842350379.db2.gz JUBSXICPGJVXAJ-LRTDBIEQSA-N 1 2 397.479 3.572 20 30 GHEDLO COc1cc(OC)c(NC(=O)C[N@@H+]2CCOC[C@H](C3CCC3)C2)cc1Cl ZINC000330257906 843035843 /nfs/dbraw/zinc/03/58/43/843035843.db2.gz QYGCGNUVQPMIBG-CQSZACIVSA-N 1 2 382.888 3.694 20 30 GHEDLO COc1cc(OC)c(NC(=O)C[N@H+]2CCOC[C@H](C3CCC3)C2)cc1Cl ZINC000330257906 843035847 /nfs/dbraw/zinc/03/58/47/843035847.db2.gz QYGCGNUVQPMIBG-CQSZACIVSA-N 1 2 382.888 3.694 20 30 GHEDLO C[C@@H]1[N@H+](Cc2nnc(C(=O)Nc3ccc(F)cc3)s2)CCC12CCOCC2 ZINC000329422482 861401637 /nfs/dbraw/zinc/40/16/37/861401637.db2.gz HYJYUFOUWJAMNB-ZDUSSCGKSA-N 1 2 390.484 3.705 20 30 GHEDLO C[C@@H]1[N@@H+](Cc2nnc(C(=O)Nc3ccc(F)cc3)s2)CCC12CCOCC2 ZINC000329422482 861401642 /nfs/dbraw/zinc/40/16/42/861401642.db2.gz HYJYUFOUWJAMNB-ZDUSSCGKSA-N 1 2 390.484 3.705 20 30 GHEDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1cc(C#N)ccc1Cl ZINC000510832247 843598018 /nfs/dbraw/zinc/59/80/18/843598018.db2.gz XERSMYXTJNVMIN-QGZVFWFLSA-N 1 2 397.906 3.575 20 30 GHEDLO C=CC[N@@H+](Cc1cc(Cl)c(OCC(N)=O)c(OC)c1)Cc1ccccc1F ZINC000092404566 843807905 /nfs/dbraw/zinc/80/79/05/843807905.db2.gz INCOUDLHIHBIPD-UHFFFAOYSA-N 1 2 392.858 3.540 20 30 GHEDLO C=CC[N@H+](Cc1cc(Cl)c(OCC(N)=O)c(OC)c1)Cc1ccccc1F ZINC000092404566 843807916 /nfs/dbraw/zinc/80/79/16/843807916.db2.gz INCOUDLHIHBIPD-UHFFFAOYSA-N 1 2 392.858 3.540 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC(C)(C)[C@H]3[C@@H]3CCCO3)n2)C1 ZINC000329456927 861460491 /nfs/dbraw/zinc/46/04/91/861460491.db2.gz QIXIZXPHKWUGML-HYVNUMGLSA-N 1 2 392.569 3.810 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC(C)(C)[C@H]3[C@@H]3CCCO3)n2)C1 ZINC000329456927 861460496 /nfs/dbraw/zinc/46/04/96/861460496.db2.gz QIXIZXPHKWUGML-HYVNUMGLSA-N 1 2 392.569 3.810 20 30 GHEDLO COC(=O)c1ccc(-c2nc(C[N@@H+]3CCc4c(CC#N)cccc4C3)co2)cc1 ZINC000599676341 861474031 /nfs/dbraw/zinc/47/40/31/861474031.db2.gz AWCMSFPLXJFMNK-UHFFFAOYSA-N 1 2 387.439 3.753 20 30 GHEDLO COC(=O)c1ccc(-c2nc(C[N@H+]3CCc4c(CC#N)cccc4C3)co2)cc1 ZINC000599676341 861474041 /nfs/dbraw/zinc/47/40/41/861474041.db2.gz AWCMSFPLXJFMNK-UHFFFAOYSA-N 1 2 387.439 3.753 20 30 GHEDLO C[C@@H](C#N)CN(C)Cc1cc(Br)ccc1C[N@H+](C)C[C@@H](C)C#N ZINC000432944200 844681336 /nfs/dbraw/zinc/68/13/36/844681336.db2.gz QQXQRTIWCOJLFQ-GJZGRUSLSA-N 1 2 377.330 3.632 20 30 GHEDLO C[C@@H](C#N)CN(C)Cc1cc(Br)ccc1C[N@@H+](C)C[C@@H](C)C#N ZINC000432944200 844681342 /nfs/dbraw/zinc/68/13/42/844681342.db2.gz QQXQRTIWCOJLFQ-GJZGRUSLSA-N 1 2 377.330 3.632 20 30 GHEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc2nc(C(F)F)sc2c1 ZINC000329471696 861494841 /nfs/dbraw/zinc/49/48/41/861494841.db2.gz ZRLIRDLGBPVAGT-DGCLKSJQSA-N 1 2 396.463 3.574 20 30 GHEDLO CCOc1ccc(C[NH+]2CCN(C(=O)N[C@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000047051974 844759647 /nfs/dbraw/zinc/75/96/47/844759647.db2.gz JXFBOQCRLZPNCN-GOSISDBHSA-N 1 2 392.503 3.545 20 30 GHEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1)C1CC1 ZINC000329485827 861519297 /nfs/dbraw/zinc/51/92/97/861519297.db2.gz SSQGUYDKMPEBBK-IIBYNOLFSA-N 1 2 384.528 3.681 20 30 GHEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1)C1CC1 ZINC000329485827 861519313 /nfs/dbraw/zinc/51/93/13/861519313.db2.gz SSQGUYDKMPEBBK-IIBYNOLFSA-N 1 2 384.528 3.681 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1c(F)cncc1F ZINC000513247269 845118167 /nfs/dbraw/zinc/11/81/67/845118167.db2.gz MGIZSWVQQRJPGC-OLZOCXBDSA-N 1 2 390.459 3.901 20 30 GHEDLO CC[C@@H]1C[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)CCS1 ZINC001167499347 845305384 /nfs/dbraw/zinc/30/53/84/845305384.db2.gz GUVRGOXYRGGJQA-GOSISDBHSA-N 1 2 382.533 3.732 20 30 GHEDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)CCS1 ZINC001167499347 845305394 /nfs/dbraw/zinc/30/53/94/845305394.db2.gz GUVRGOXYRGGJQA-GOSISDBHSA-N 1 2 382.533 3.732 20 30 GHEDLO COc1ccccc1/C=C/C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000119650374 845745811 /nfs/dbraw/zinc/74/58/11/845745811.db2.gz YDGYJCFUKYKPDE-QPJJXVBHSA-N 1 2 390.443 3.650 20 30 GHEDLO Cc1ccc(NC(=O)NC(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1C ZINC000502548043 846187353 /nfs/dbraw/zinc/18/73/53/846187353.db2.gz HDGIADANSHEJPA-UHFFFAOYSA-N 1 2 388.471 3.613 20 30 GHEDLO Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1C ZINC000502548043 846187355 /nfs/dbraw/zinc/18/73/55/846187355.db2.gz HDGIADANSHEJPA-UHFFFAOYSA-N 1 2 388.471 3.613 20 30 GHEDLO N#C[C@@H]1C[N@@H+](Cc2cnc(-c3ccccc3)s2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513666406 846233394 /nfs/dbraw/zinc/23/33/94/846233394.db2.gz MGTRAUJYBAFSRH-OPAMFIHVSA-N 1 2 386.480 3.656 20 30 GHEDLO N#C[C@@H]1C[N@H+](Cc2cnc(-c3ccccc3)s2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513666406 846233402 /nfs/dbraw/zinc/23/34/02/846233402.db2.gz MGTRAUJYBAFSRH-OPAMFIHVSA-N 1 2 386.480 3.656 20 30 GHEDLO N#CCC[C@@H](C#N)C[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000566232103 846374467 /nfs/dbraw/zinc/37/44/67/846374467.db2.gz YSVRWLKLWQQPRT-IINYFYTJSA-N 1 2 390.203 3.534 20 30 GHEDLO N#CC1(CNC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CCC1 ZINC000419417593 846545385 /nfs/dbraw/zinc/54/53/85/846545385.db2.gz HVNGEMXQSFPTFD-MRXNPFEDSA-N 1 2 378.879 3.609 20 30 GHEDLO CC[N@H+](CC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)Cc1ccccc1Cl ZINC000503227986 847494878 /nfs/dbraw/zinc/49/48/78/847494878.db2.gz YCXHKFZWLUONOJ-NRFANRHFSA-N 1 2 397.906 3.634 20 30 GHEDLO CC[N@@H+](CC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)Cc1ccccc1Cl ZINC000503227986 847494884 /nfs/dbraw/zinc/49/48/84/847494884.db2.gz YCXHKFZWLUONOJ-NRFANRHFSA-N 1 2 397.906 3.634 20 30 GHEDLO COc1ccc(C[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)CC2CC2)c(OC)c1 ZINC000503238931 847506958 /nfs/dbraw/zinc/50/69/58/847506958.db2.gz VGCURENFHJMFQP-UHFFFAOYSA-N 1 2 397.475 3.636 20 30 GHEDLO COc1ccc(C[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)CC2CC2)c(OC)c1 ZINC000503238931 847506969 /nfs/dbraw/zinc/50/69/69/847506969.db2.gz VGCURENFHJMFQP-UHFFFAOYSA-N 1 2 397.475 3.636 20 30 GHEDLO CC(C)[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1cccc(Cl)c1 ZINC000513785131 847554501 /nfs/dbraw/zinc/55/45/01/847554501.db2.gz GRBNUPZZWSKAIV-UHFFFAOYSA-N 1 2 376.909 3.896 20 30 GHEDLO CC(C)[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)Cc1cccc(Cl)c1 ZINC000513785131 847554508 /nfs/dbraw/zinc/55/45/08/847554508.db2.gz GRBNUPZZWSKAIV-UHFFFAOYSA-N 1 2 376.909 3.896 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2Cc3ccccc3O[C@@H](C)C2)cc1 ZINC000429138701 861813416 /nfs/dbraw/zinc/81/34/16/861813416.db2.gz FSOWXFZKZQKJFM-SFHVURJKSA-N 1 2 393.487 3.615 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2Cc3ccccc3O[C@@H](C)C2)cc1 ZINC000429138701 861813436 /nfs/dbraw/zinc/81/34/36/861813436.db2.gz FSOWXFZKZQKJFM-SFHVURJKSA-N 1 2 393.487 3.615 20 30 GHEDLO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502527729 847968458 /nfs/dbraw/zinc/96/84/58/847968458.db2.gz HOJQSVJMFLIURQ-QGZVFWFLSA-N 1 2 375.472 3.992 20 30 GHEDLO COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502527729 847968462 /nfs/dbraw/zinc/96/84/62/847968462.db2.gz HOJQSVJMFLIURQ-QGZVFWFLSA-N 1 2 375.472 3.992 20 30 GHEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000226742021 861865845 /nfs/dbraw/zinc/86/58/45/861865845.db2.gz MYECGOIJXZGVDT-CABCVRRESA-N 1 2 384.505 3.653 20 30 GHEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000226742021 861865859 /nfs/dbraw/zinc/86/58/59/861865859.db2.gz MYECGOIJXZGVDT-CABCVRRESA-N 1 2 384.505 3.653 20 30 GHEDLO Cc1nnc([C@H](C)[N@@H+]2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)s1 ZINC000329654473 861915256 /nfs/dbraw/zinc/91/52/56/861915256.db2.gz FHFMWRBJPMJKTG-GXTWGEPZSA-N 1 2 377.489 3.785 20 30 GHEDLO Cc1nnc([C@H](C)[N@H+]2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)s1 ZINC000329654473 861915275 /nfs/dbraw/zinc/91/52/75/861915275.db2.gz FHFMWRBJPMJKTG-GXTWGEPZSA-N 1 2 377.489 3.785 20 30 GHEDLO CC1(CO)CCN(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000329671935 862002524 /nfs/dbraw/zinc/00/25/24/862002524.db2.gz SHYWFFKRXVYKDL-QGZVFWFLSA-N 1 2 397.922 3.624 20 30 GHEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CCC(CCC#N)CC2)C[C@@H](C)O1 ZINC000514600158 850043247 /nfs/dbraw/zinc/04/32/47/850043247.db2.gz MGTQNQWRCTVYHD-QZTJIDSGSA-N 1 2 384.524 3.843 20 30 GHEDLO CCCc1c(NC(=O)NCc2ccn3cc[nH+]c3c2)cnn1-c1cccc(C#N)c1 ZINC000439683906 850263649 /nfs/dbraw/zinc/26/36/49/850263649.db2.gz QLPWACDEJWPHEZ-UHFFFAOYSA-N 1 2 399.458 3.666 20 30 GHEDLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C#N)cc1C ZINC000439789421 850404467 /nfs/dbraw/zinc/40/44/67/850404467.db2.gz ZPWPPDWOBFRPTI-UZUQRXQVSA-N 1 2 390.531 3.943 20 30 GHEDLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C#N)cc1C ZINC000439789421 850404468 /nfs/dbraw/zinc/40/44/68/850404468.db2.gz ZPWPPDWOBFRPTI-UZUQRXQVSA-N 1 2 390.531 3.943 20 30 GHEDLO C=C(C)C(C)(C)C(=O)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000424603526 850560595 /nfs/dbraw/zinc/56/05/95/850560595.db2.gz MPBZDQQSUCGPGS-UHFFFAOYSA-N 1 2 396.510 3.766 20 30 GHEDLO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000909257564 850665535 /nfs/dbraw/zinc/66/55/35/850665535.db2.gz XUQBSMAYAJIXQP-UHFFFAOYSA-N 1 2 389.507 3.701 20 30 GHEDLO O=C(C[NH+]1CCC2(CC1)OCCO2)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000028078536 851038047 /nfs/dbraw/zinc/03/80/47/851038047.db2.gz OJPIDYKKLQOLNE-UHFFFAOYSA-N 1 2 395.431 3.515 20 30 GHEDLO N#Cc1ccccc1-c1ccc(CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000434368617 851039132 /nfs/dbraw/zinc/03/91/32/851039132.db2.gz WUULZQPANJGCKB-JOCHJYFZSA-N 1 2 398.466 3.983 20 30 GHEDLO N#CCCN(C(=O)C[NH+]1CCC(Oc2ccc(F)cc2F)CC1)c1ccccc1 ZINC000120788534 851147408 /nfs/dbraw/zinc/14/74/08/851147408.db2.gz VTOHATRLJNAJOU-UHFFFAOYSA-N 1 2 399.441 3.755 20 30 GHEDLO CC[C@@H]1C[C@H](C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)CC(=O)N1 ZINC000329722643 862236956 /nfs/dbraw/zinc/23/69/56/862236956.db2.gz CLLHXFZSTQPYHK-KNIMUDFMSA-N 1 2 393.915 3.813 20 30 GHEDLO CC[C@@H]1C[C@H](C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)CC(=O)N1 ZINC000329722643 862236972 /nfs/dbraw/zinc/23/69/72/862236972.db2.gz CLLHXFZSTQPYHK-KNIMUDFMSA-N 1 2 393.915 3.813 20 30 GHEDLO Cc1ccc2[nH+]c(CSCC(=O)N(C)[C@@H](C)c3cccc(C#N)c3)cn2c1 ZINC000425125808 851444758 /nfs/dbraw/zinc/44/47/58/851444758.db2.gz GWSSQWHNOPKYOL-INIZCTEOSA-N 1 2 378.501 3.967 20 30 GHEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000505906237 852546962 /nfs/dbraw/zinc/54/69/62/852546962.db2.gz MQNCYZNLAXCEQB-ARKBFRDHSA-N 1 2 397.482 3.860 20 30 GHEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000505906237 852546968 /nfs/dbraw/zinc/54/69/68/852546968.db2.gz MQNCYZNLAXCEQB-ARKBFRDHSA-N 1 2 397.482 3.860 20 30 GHEDLO Cn1c2ccccc2nc1[C@H](C#N)C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000489914751 852666046 /nfs/dbraw/zinc/66/60/46/852666046.db2.gz UAINCHOQWWBJFX-CYBMUJFWSA-N 1 2 392.369 3.582 20 30 GHEDLO COCc1cccc2sc(=NC(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)[nH]c21 ZINC000329888732 862400148 /nfs/dbraw/zinc/40/01/48/862400148.db2.gz ZIYCAHMDRJPWFX-UKRRQHHQSA-N 1 2 385.493 3.768 20 30 GHEDLO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)cs2)[C@@H]1c1ccc(F)c(F)c1 ZINC000490276577 852887749 /nfs/dbraw/zinc/88/77/49/852887749.db2.gz SHFSJMZRBDDCHE-AEFFLSMTSA-N 1 2 375.444 3.852 20 30 GHEDLO CC(C)[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)cs2)[C@@H]1c1ccc(F)c(F)c1 ZINC000490276577 852887753 /nfs/dbraw/zinc/88/77/53/852887753.db2.gz SHFSJMZRBDDCHE-AEFFLSMTSA-N 1 2 375.444 3.852 20 30 GHEDLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc(C#N)c1C ZINC000509183270 862405512 /nfs/dbraw/zinc/40/55/12/862405512.db2.gz GGVYMQKNSBGNQO-GAJHUEQPSA-N 1 2 390.531 3.943 20 30 GHEDLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc(C#N)c1C ZINC000509183270 862405519 /nfs/dbraw/zinc/40/55/19/862405519.db2.gz GGVYMQKNSBGNQO-GAJHUEQPSA-N 1 2 390.531 3.943 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)c2coc(C3CCOCC3)n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000329914434 862418308 /nfs/dbraw/zinc/41/83/08/862418308.db2.gz PEKJOZDWKHVVRD-WMZOPIPTSA-N 1 2 391.418 3.597 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)c2coc(C3CCOCC3)n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000329914434 862418320 /nfs/dbraw/zinc/41/83/20/862418320.db2.gz PEKJOZDWKHVVRD-WMZOPIPTSA-N 1 2 391.418 3.597 20 30 GHEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000509581697 853033089 /nfs/dbraw/zinc/03/30/89/853033089.db2.gz CHIORPBNAHLWHJ-UHFFFAOYSA-N 1 2 379.357 3.760 20 30 GHEDLO [O-]C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000329927153 862429416 /nfs/dbraw/zinc/42/94/16/862429416.db2.gz WTFRRXAGOKCFHP-XHDPSFHLSA-N 1 2 379.291 3.943 20 30 GHEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCc3cc(Cl)cc(Cl)c3C2)cc1 ZINC000437532940 853233966 /nfs/dbraw/zinc/23/39/66/853233966.db2.gz DXKUIZMMORSBPL-MRXNPFEDSA-N 1 2 377.271 3.663 20 30 GHEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCc3cc(Cl)cc(Cl)c3C2)cc1 ZINC000437532940 853233973 /nfs/dbraw/zinc/23/39/73/853233973.db2.gz DXKUIZMMORSBPL-MRXNPFEDSA-N 1 2 377.271 3.663 20 30 GHEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000296059133 853427419 /nfs/dbraw/zinc/42/74/19/853427419.db2.gz UPEUPGBVSZFFAO-QGZVFWFLSA-N 1 2 378.451 3.645 20 30 GHEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC=C(c2cccnc2)C1 ZINC000296059133 853427422 /nfs/dbraw/zinc/42/74/22/853427422.db2.gz UPEUPGBVSZFFAO-QGZVFWFLSA-N 1 2 378.451 3.645 20 30 GHEDLO Cc1sc(NC(=O)C[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c(C#N)c1C ZINC000426382372 853655921 /nfs/dbraw/zinc/65/59/21/853655921.db2.gz ZWASDNXAUGBGFM-UHFFFAOYSA-N 1 2 391.500 3.841 20 30 GHEDLO Cc1sc(NC(=O)C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c(C#N)c1C ZINC000426382372 853655928 /nfs/dbraw/zinc/65/59/28/853655928.db2.gz ZWASDNXAUGBGFM-UHFFFAOYSA-N 1 2 391.500 3.841 20 30 GHEDLO C=CCn1c(-c2ccc[nH]2)nnc1N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000571724163 854027613 /nfs/dbraw/zinc/02/76/13/854027613.db2.gz XTONYKNRJBWMNS-UHFFFAOYSA-N 1 2 391.523 3.597 20 30 GHEDLO Cc1cccn2cc(CCNC(=O)Nc3ccc(C#N)c(Br)c3)[nH+]c12 ZINC000588315302 854285102 /nfs/dbraw/zinc/28/51/02/854285102.db2.gz YNCDKASAMRQFCY-UHFFFAOYSA-N 1 2 398.264 3.641 20 30 GHEDLO Cc1ccc2c(c1)C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C(C)(C)C2 ZINC000550382235 854423932 /nfs/dbraw/zinc/42/39/32/854423932.db2.gz MVPKKAPHZSQDJK-UHFFFAOYSA-N 1 2 399.498 3.828 20 30 GHEDLO Cc1ccc2c(c1)C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C(C)(C)C2 ZINC000550382235 854423934 /nfs/dbraw/zinc/42/39/34/854423934.db2.gz MVPKKAPHZSQDJK-UHFFFAOYSA-N 1 2 399.498 3.828 20 30 GHEDLO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000330088348 862564758 /nfs/dbraw/zinc/56/47/58/862564758.db2.gz NXOXLUGAPZNKMU-SMDDNHRTSA-N 1 2 393.274 3.514 20 30 GHEDLO O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000328665475 854495967 /nfs/dbraw/zinc/49/59/67/854495967.db2.gz ZEEWNNSKGHBDAI-UHFFFAOYSA-N 1 2 393.413 3.713 20 30 GHEDLO O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000328665475 854495974 /nfs/dbraw/zinc/49/59/74/854495974.db2.gz ZEEWNNSKGHBDAI-UHFFFAOYSA-N 1 2 393.413 3.713 20 30 GHEDLO O=C(N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCc2ccccc21)C1CCCCC1 ZINC000328763456 854533043 /nfs/dbraw/zinc/53/30/43/854533043.db2.gz FSGZHNPFLMAARF-LJQANCHMSA-N 1 2 380.492 3.837 20 30 GHEDLO O=C(N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCc2ccccc21)C1CCCCC1 ZINC000328763456 854533049 /nfs/dbraw/zinc/53/30/49/854533049.db2.gz FSGZHNPFLMAARF-LJQANCHMSA-N 1 2 380.492 3.837 20 30 GHEDLO Cc1c2ccccc2oc1[C@H](C)NC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000330118168 862587668 /nfs/dbraw/zinc/58/76/68/862587668.db2.gz YCPIXWRPGVPMGO-QMTMVMCOSA-N 1 2 382.464 3.960 20 30 GHEDLO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c1 ZINC000330125320 862596122 /nfs/dbraw/zinc/59/61/22/862596122.db2.gz LVKPYSPQADMYMB-AVYPCKFXSA-N 1 2 375.469 3.541 20 30 GHEDLO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c1 ZINC000330125320 862596128 /nfs/dbraw/zinc/59/61/28/862596128.db2.gz LVKPYSPQADMYMB-AVYPCKFXSA-N 1 2 375.469 3.541 20 30 GHEDLO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@H](c4nc(C5CCCCC5)n[nH]4)C3)n2c1 ZINC000589197988 854743381 /nfs/dbraw/zinc/74/33/81/854743381.db2.gz ICNMVJREFDGNIX-SFHVURJKSA-N 1 2 389.507 3.751 20 30 GHEDLO N#Cc1ccc2ncc(C[N@H+]3CCC[C@H](c4nc(C5CCCCC5)n[nH]4)C3)n2c1 ZINC000589197988 854743389 /nfs/dbraw/zinc/74/33/89/854743389.db2.gz ICNMVJREFDGNIX-SFHVURJKSA-N 1 2 389.507 3.751 20 30 GHEDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000330168529 862630664 /nfs/dbraw/zinc/63/06/64/862630664.db2.gz AYDJKAWTPNFYNE-RDTXWAMCSA-N 1 2 396.582 3.510 20 30 GHEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000128657539 855016211 /nfs/dbraw/zinc/01/62/11/855016211.db2.gz KFAUKYGPGOIEEJ-HOTGVXAUSA-N 1 2 375.900 3.524 20 30 GHEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000128657539 855016213 /nfs/dbraw/zinc/01/62/13/855016213.db2.gz KFAUKYGPGOIEEJ-HOTGVXAUSA-N 1 2 375.900 3.524 20 30 GHEDLO CCc1nc(C(C)C)ccc1C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000590165982 855307252 /nfs/dbraw/zinc/30/72/52/855307252.db2.gz CXFNPLSEHSHCLM-UHFFFAOYSA-N 1 2 379.508 3.827 20 30 GHEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000465687730 855589588 /nfs/dbraw/zinc/58/95/88/855589588.db2.gz HRWNOHIRGMPLCP-SFTDATJTSA-N 1 2 389.503 3.532 20 30 GHEDLO CC(C)c1nnc2ccc(NC(=O)N3CC[NH+]([C@H](C)c4ccsc4)CC3)cn21 ZINC000330261665 862702545 /nfs/dbraw/zinc/70/25/45/862702545.db2.gz UKICOHFBHPTCDE-OAHLLOKOSA-N 1 2 398.536 3.839 20 30 GHEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(c2nc(C(F)(F)F)ccc2C#N)CC1 ZINC000302003261 855799678 /nfs/dbraw/zinc/79/96/78/855799678.db2.gz TVYJYOIKEMBCBT-CYBMUJFWSA-N 1 2 378.373 3.994 20 30 GHEDLO C[N@@H+]1CCO[C@H]([C@@H](Nc2cc(C#N)ccc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000302212613 855840136 /nfs/dbraw/zinc/84/01/36/855840136.db2.gz NBVGEDRHRNILRY-OALUTQOASA-N 1 2 386.839 3.604 20 30 GHEDLO C[N@H+]1CCO[C@H]([C@@H](Nc2cc(C#N)ccc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000302212613 855840139 /nfs/dbraw/zinc/84/01/39/855840139.db2.gz NBVGEDRHRNILRY-OALUTQOASA-N 1 2 386.839 3.604 20 30 GHEDLO Cn1cc[nH+]c1C[C@H](NC(=O)N[C@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000591390221 855943657 /nfs/dbraw/zinc/94/36/57/855943657.db2.gz GUGRWZABLVZINC-VXKWHMMOSA-N 1 2 399.498 3.952 20 30 GHEDLO COc1ccc(C)cc1NC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507807468 856184910 /nfs/dbraw/zinc/18/49/10/856184910.db2.gz PAHCVMMAYLGIDW-QGZVFWFLSA-N 1 2 393.487 3.746 20 30 GHEDLO N#Cc1ccc(OCC[N@@H+]2CCO[C@H](c3ccc(Br)cc3)C2)cc1 ZINC000109098975 856228296 /nfs/dbraw/zinc/22/82/96/856228296.db2.gz KXIXGDVENBIUFP-IBGZPJMESA-N 1 2 387.277 3.773 20 30 GHEDLO N#Cc1ccc(OCC[N@H+]2CCO[C@H](c3ccc(Br)cc3)C2)cc1 ZINC000109098975 856228330 /nfs/dbraw/zinc/22/83/30/856228330.db2.gz KXIXGDVENBIUFP-IBGZPJMESA-N 1 2 387.277 3.773 20 30 GHEDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)[C@H](C#N)c1nc(C(C)C)cs1)CC2 ZINC000129037970 856759751 /nfs/dbraw/zinc/75/97/51/856759751.db2.gz QQAVOUOPWZNNOC-INIZCTEOSA-N 1 2 399.516 3.518 20 30 GHEDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)[C@H](C#N)c1nc(C(C)C)cs1)CC2 ZINC000129037970 856759759 /nfs/dbraw/zinc/75/97/59/856759759.db2.gz QQAVOUOPWZNNOC-INIZCTEOSA-N 1 2 399.516 3.518 20 30 GHEDLO COCC[N@H+](CC(=O)Nc1c(C)cc(C)cc1Cl)Cc1ccc(C#N)cc1 ZINC000063754457 857050072 /nfs/dbraw/zinc/05/00/72/857050072.db2.gz QWDPGHWKOYYIOW-UHFFFAOYSA-N 1 2 385.895 3.916 20 30 GHEDLO COCC[N@@H+](CC(=O)Nc1c(C)cc(C)cc1Cl)Cc1ccc(C#N)cc1 ZINC000063754457 857050080 /nfs/dbraw/zinc/05/00/80/857050080.db2.gz QWDPGHWKOYYIOW-UHFFFAOYSA-N 1 2 385.895 3.916 20 30 GHEDLO COCC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(C#N)cc1 ZINC000063754350 857050516 /nfs/dbraw/zinc/05/05/16/857050516.db2.gz WXXXKCNOYKBGGH-UHFFFAOYSA-N 1 2 392.286 3.952 20 30 GHEDLO COCC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(C#N)cc1 ZINC000063754350 857050524 /nfs/dbraw/zinc/05/05/24/857050524.db2.gz WXXXKCNOYKBGGH-UHFFFAOYSA-N 1 2 392.286 3.952 20 30 GHEDLO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000508243225 857092957 /nfs/dbraw/zinc/09/29/57/857092957.db2.gz PDDOQGOORDWYBY-HNNXBMFYSA-N 1 2 391.431 3.766 20 30 GHEDLO COc1ccc(C2CC[NH+](Cc3c(C#N)c(C)nn3-c3ccccc3)CC2)nc1 ZINC000593041917 857196565 /nfs/dbraw/zinc/19/65/65/857196565.db2.gz SBLBPWGFJRXHIJ-UHFFFAOYSA-N 1 2 387.487 3.836 20 30 GHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH+]2CCC(C(F)F)CC2)c1C#N ZINC000486123894 857453730 /nfs/dbraw/zinc/45/37/30/857453730.db2.gz FPFRVDCVDRMWMW-UHFFFAOYSA-N 1 2 386.446 3.881 20 30 GHEDLO N#Cc1c[nH]c(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)c1 ZINC000175225529 857468615 /nfs/dbraw/zinc/46/86/15/857468615.db2.gz CQEOHIJGOUPJOC-UHFFFAOYSA-N 1 2 394.475 3.712 20 30 GHEDLO COc1ccc(C#N)cc1NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000442192426 857582072 /nfs/dbraw/zinc/58/20/72/857582072.db2.gz FSZUXBXEYCOLNP-HXUWFJFHSA-N 1 2 389.459 3.943 20 30 GHEDLO N#CC1(CNC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)CCCC1 ZINC000593432547 857586788 /nfs/dbraw/zinc/58/67/88/857586788.db2.gz RLMNJBZGERFCBF-UHFFFAOYSA-N 1 2 385.899 3.832 20 30 GHEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000521165294 857695822 /nfs/dbraw/zinc/69/58/22/857695822.db2.gz UMGQAYHJYHYWJT-UHFFFAOYSA-N 1 2 391.519 3.790 20 30 GHEDLO C[N@@H+](Cc1cccc(F)c1C#N)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000428247783 857736285 /nfs/dbraw/zinc/73/62/85/857736285.db2.gz AUGBYLUTOMIARR-HNNXBMFYSA-N 1 2 382.357 3.588 20 30 GHEDLO C[N@H+](Cc1cccc(F)c1C#N)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000428247783 857736291 /nfs/dbraw/zinc/73/62/91/857736291.db2.gz AUGBYLUTOMIARR-HNNXBMFYSA-N 1 2 382.357 3.588 20 30 GHEDLO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000466020791 857854198 /nfs/dbraw/zinc/85/41/98/857854198.db2.gz JMWWICUXWGUCID-FGZHOGPDSA-N 1 2 385.471 3.854 20 30 GHEDLO C[C@@H]([NH2+][C@@H](Cc1ccccc1)c1ncco1)C(=O)N(CCC#N)c1ccccc1 ZINC000594055871 857857172 /nfs/dbraw/zinc/85/71/72/857857172.db2.gz OPLQSPINDKTYTE-NQIIRXRSSA-N 1 2 388.471 3.883 20 30 GHEDLO Cc1c(C(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)cnn1-c1cc(C)ccc1C ZINC000330335032 862979769 /nfs/dbraw/zinc/97/97/69/862979769.db2.gz RDCTYBPZSYQOBZ-UTKZUKDTSA-N 1 2 393.491 3.756 20 30 GHEDLO C=CCOc1ccc(C[N@@H+](C)[C@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000132385334 858401201 /nfs/dbraw/zinc/40/12/01/858401201.db2.gz QQCLJAXTYKQZOK-SFHVURJKSA-N 1 2 389.293 3.672 20 30 GHEDLO C=CCOc1ccc(C[N@H+](C)[C@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000132385334 858401208 /nfs/dbraw/zinc/40/12/08/858401208.db2.gz QQCLJAXTYKQZOK-SFHVURJKSA-N 1 2 389.293 3.672 20 30 GHEDLO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000129852751 858460534 /nfs/dbraw/zinc/46/05/34/858460534.db2.gz WSSLDYDOESBUCR-HNNXBMFYSA-N 1 2 394.500 3.831 20 30 GHEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000595716306 858655856 /nfs/dbraw/zinc/65/58/56/858655856.db2.gz YJOAKFUMPDTXJY-QVKFZJNVSA-N 1 2 382.533 3.611 20 30 GHEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000595716306 858655859 /nfs/dbraw/zinc/65/58/59/858655859.db2.gz YJOAKFUMPDTXJY-QVKFZJNVSA-N 1 2 382.533 3.611 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@]3(CC3(F)F)C2)c1C#N ZINC000593115244 858660083 /nfs/dbraw/zinc/66/00/83/858660083.db2.gz BIGPKCGISDXQDK-IBGZPJMESA-N 1 2 376.451 3.761 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC[C@]3(CC3(F)F)C2)c1C#N ZINC000593115244 858660084 /nfs/dbraw/zinc/66/00/84/858660084.db2.gz BIGPKCGISDXQDK-IBGZPJMESA-N 1 2 376.451 3.761 20 30 GHEDLO COc1cccc([C@]2(C)CC[N@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)c1 ZINC000595766835 858664157 /nfs/dbraw/zinc/66/41/57/858664157.db2.gz LPLLPUFZOUQPSB-OAQYLSRUSA-N 1 2 383.879 3.822 20 30 GHEDLO COc1cccc([C@]2(C)CC[N@@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)c1 ZINC000595766835 858664160 /nfs/dbraw/zinc/66/41/60/858664160.db2.gz LPLLPUFZOUQPSB-OAQYLSRUSA-N 1 2 383.879 3.822 20 30 GHEDLO COc1cccc([C@@]2(C)CC[N@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)c1 ZINC000595765489 858664229 /nfs/dbraw/zinc/66/42/29/858664229.db2.gz LPLLPUFZOUQPSB-NRFANRHFSA-N 1 2 383.879 3.822 20 30 GHEDLO COc1cccc([C@@]2(C)CC[N@@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)c1 ZINC000595765489 858664231 /nfs/dbraw/zinc/66/42/31/858664231.db2.gz LPLLPUFZOUQPSB-NRFANRHFSA-N 1 2 383.879 3.822 20 30 GHEDLO Cc1ccc(S(=O)(=O)N[C@H](CC[N@@H+]2CC[C@](C)(C#N)C2)c2ccccc2)cc1 ZINC000595842142 858691289 /nfs/dbraw/zinc/69/12/89/858691289.db2.gz XXKYKPGTSJVSMT-FGZHOGPDSA-N 1 2 397.544 3.640 20 30 GHEDLO Cc1ccc(S(=O)(=O)N[C@H](CC[N@H+]2CC[C@](C)(C#N)C2)c2ccccc2)cc1 ZINC000595842142 858691296 /nfs/dbraw/zinc/69/12/96/858691296.db2.gz XXKYKPGTSJVSMT-FGZHOGPDSA-N 1 2 397.544 3.640 20 30 GHEDLO N#CC[C@@H]1CCCN(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000596133691 858788107 /nfs/dbraw/zinc/78/81/07/858788107.db2.gz YPSUAIKGQHHXGG-YJBOKZPZSA-N 1 2 392.906 3.951 20 30 GHEDLO CCc1nocc1CN(C)c1cc(C)[nH+]c(N(C)Cc2conc2CC)c1C#N ZINC000596243981 858826742 /nfs/dbraw/zinc/82/67/42/858826742.db2.gz NAVSCCIRQBYRGL-UHFFFAOYSA-N 1 2 394.479 3.635 20 30 GHEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000922924746 858859325 /nfs/dbraw/zinc/85/93/25/858859325.db2.gz OMYXZSNJKXPVOP-HXUWFJFHSA-N 1 2 375.476 3.617 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc(CCc3ccc(C#N)cc3)n2)O1 ZINC000596614512 858970157 /nfs/dbraw/zinc/97/01/57/858970157.db2.gz SMELVXLEIYAOGP-UTKZUKDTSA-N 1 2 388.471 3.688 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc(CCc3ccc(C#N)cc3)n2)O1 ZINC000596614512 858970168 /nfs/dbraw/zinc/97/01/68/858970168.db2.gz SMELVXLEIYAOGP-UTKZUKDTSA-N 1 2 388.471 3.688 20 30 GHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](C)Cc2cnccc2C)c1C#N ZINC000483009898 859071666 /nfs/dbraw/zinc/07/16/66/859071666.db2.gz KICQANSTWYJRJB-UHFFFAOYSA-N 1 2 387.487 3.740 20 30 GHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](C)Cc2cnccc2C)c1C#N ZINC000483009898 859071677 /nfs/dbraw/zinc/07/16/77/859071677.db2.gz KICQANSTWYJRJB-UHFFFAOYSA-N 1 2 387.487 3.740 20 30 GHEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000060483381 859330937 /nfs/dbraw/zinc/33/09/37/859330937.db2.gz YUDUJFWQKOQFCT-QVKFZJNVSA-N 1 2 389.927 3.678 20 30 GHEDLO COC(=O)C(C)(C)[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1 ZINC000611404523 859738341 /nfs/dbraw/zinc/73/83/41/859738341.db2.gz DHBBRHMMVJJBKO-IBGZPJMESA-N 1 2 390.443 3.638 20 30 GHEDLO COC(=O)C(C)(C)[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1 ZINC000611405681 859744257 /nfs/dbraw/zinc/74/42/57/859744257.db2.gz HXVPEYKHQAXMCL-IBGZPJMESA-N 1 2 390.443 3.638 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCc4c3cccc4Cl)CC2)cc1 ZINC000611410375 859745251 /nfs/dbraw/zinc/74/52/51/859745251.db2.gz STNLBKWVSJCJOY-FQEVSTJZSA-N 1 2 379.891 3.586 20 30 GHEDLO CC(C)C[C@@H](C(=O)N[C@H](C#N)c1cccc(Br)c1)n1cc[nH+]c1 ZINC000602088291 859763984 /nfs/dbraw/zinc/76/39/84/859763984.db2.gz KPQFVKOBWNAYHV-CVEARBPZSA-N 1 2 375.270 3.614 20 30 GHEDLO COc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2Br)cc1OC ZINC000611500385 859786618 /nfs/dbraw/zinc/78/66/18/859786618.db2.gz HRDDPECACOSRHD-UHFFFAOYSA-N 1 2 375.266 3.970 20 30 GHEDLO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2Br)cc1OC ZINC000611500385 859786623 /nfs/dbraw/zinc/78/66/23/859786623.db2.gz HRDDPECACOSRHD-UHFFFAOYSA-N 1 2 375.266 3.970 20 30 GHEDLO CC(C)n1ncc2cc(C[NH+]3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)cnc21 ZINC000611550288 859808195 /nfs/dbraw/zinc/80/81/95/859808195.db2.gz BZYYNRWXWXDVRX-NRFANRHFSA-N 1 2 392.482 3.534 20 30 GHEDLO N#Cc1cc(NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)ccc1OC(F)(F)F ZINC000602151115 859810994 /nfs/dbraw/zinc/81/09/94/859810994.db2.gz QRGWAUCOVALAKX-LBPRGKRZSA-N 1 2 392.259 3.786 20 30 GHEDLO N#Cc1cc(NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)ccc1OC(F)(F)F ZINC000602151114 859811257 /nfs/dbraw/zinc/81/12/57/859811257.db2.gz QRGWAUCOVALAKX-GFCCVEGCSA-N 1 2 392.259 3.786 20 30 GHEDLO Cc1ccc(NC(=S)N[NH+]=Cc2ccc(N3CCOCC3)c(F)c2)cc1C ZINC000727254424 860006325 /nfs/dbraw/zinc/00/63/25/860006325.db2.gz SNQFGDCPDGLMPD-UHFFFAOYSA-N 1 2 386.496 3.600 20 30 GHEDLO COc1ccc(CN(c2cc[nH+]cc2)S(=O)(=O)c2ccc(C#N)cc2C)cc1 ZINC000092254120 860015112 /nfs/dbraw/zinc/01/51/12/860015112.db2.gz PSQCQOGHLYUHGE-UHFFFAOYSA-N 1 2 393.468 3.666 20 30 GHEDLO Cc1ccccc1NC(=O)CO[NH+]=C(N)c1ccc(OCc2ccccc2)cc1 ZINC000138969708 860799745 /nfs/dbraw/zinc/79/97/45/860799745.db2.gz OJEYPFDNNRHCLZ-UHFFFAOYSA-N 1 2 389.455 3.850 20 30 GHEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000329005751 860943203 /nfs/dbraw/zinc/94/32/03/860943203.db2.gz MVEORDQLUPRBPN-UHFFFAOYSA-N 1 2 398.551 3.741 20 30 GHEDLO O=C(C[NH+]1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1)Nc1cc(F)cc(F)c1 ZINC000329103977 861021617 /nfs/dbraw/zinc/02/16/17/861021617.db2.gz GJHJLCLTAFRDDL-SFHVURJKSA-N 1 2 391.462 3.667 20 30 GHEDLO CC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000329109575 861025750 /nfs/dbraw/zinc/02/57/50/861025750.db2.gz PXHRSTGXIPFNDQ-KURKYZTESA-N 1 2 381.879 3.582 20 30 GHEDLO CC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000329109575 861025767 /nfs/dbraw/zinc/02/57/67/861025767.db2.gz PXHRSTGXIPFNDQ-KURKYZTESA-N 1 2 381.879 3.582 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(N(C)C(=O)OC(C)(C)C)CC2)c1C ZINC000730571755 861177559 /nfs/dbraw/zinc/17/75/59/861177559.db2.gz LZVRWEGHJZZUBP-UHFFFAOYSA-N 1 2 389.540 3.805 20 30 GHEDLO C=CCCn1cc(C[NH+]2CCC(Nc3cccc(Br)c3)CC2)nn1 ZINC000668085246 863371835 /nfs/dbraw/zinc/37/18/35/863371835.db2.gz IHTHXLPVLDEMHQ-UHFFFAOYSA-N 1 2 390.329 3.693 20 30 GHEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000593976443 863601084 /nfs/dbraw/zinc/60/10/84/863601084.db2.gz WJRDJBGOZXMUSJ-SFHVURJKSA-N 1 2 376.504 3.829 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3CC(c4cccc(F)c4)C3)CC2)cc1 ZINC000522904542 863681760 /nfs/dbraw/zinc/68/17/60/863681760.db2.gz GVWYRIYVDZARHE-UHFFFAOYSA-N 1 2 377.463 3.535 20 30 GHEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000594018092 863754637 /nfs/dbraw/zinc/75/46/37/863754637.db2.gz RITYSRQEGGZREE-YLJYHZDGSA-N 1 2 376.504 3.676 20 30 GHEDLO Fc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)cn1 ZINC000897053915 864369446 /nfs/dbraw/zinc/36/94/46/864369446.db2.gz CQQXKVBCEGEMES-DTORHVGOSA-N 1 2 378.238 3.824 20 30 GHEDLO Fc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)cn1 ZINC000897053915 864369460 /nfs/dbraw/zinc/36/94/60/864369460.db2.gz CQQXKVBCEGEMES-DTORHVGOSA-N 1 2 378.238 3.824 20 30 GHEDLO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000735306086 864718519 /nfs/dbraw/zinc/71/85/19/864718519.db2.gz HTRICDIHHHKTMJ-UHFFFAOYSA-N 1 2 383.879 3.590 20 30 GHEDLO N#CCOc1ccc(Cl)cc1C[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000735306086 864718522 /nfs/dbraw/zinc/71/85/22/864718522.db2.gz HTRICDIHHHKTMJ-UHFFFAOYSA-N 1 2 383.879 3.590 20 30 GHEDLO C=CC[N@H+](Cc1ncc(-c2cccs2)o1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735425374 864782060 /nfs/dbraw/zinc/78/20/60/864782060.db2.gz AINGQSRNHGSLIU-UHFFFAOYSA-N 1 2 378.461 3.771 20 30 GHEDLO C=CC[N@@H+](Cc1ncc(-c2cccs2)o1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735425374 864782065 /nfs/dbraw/zinc/78/20/65/864782065.db2.gz AINGQSRNHGSLIU-UHFFFAOYSA-N 1 2 378.461 3.771 20 30 GHEDLO C=CCOc1ccccc1CNC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608431273 865327877 /nfs/dbraw/zinc/32/78/77/865327877.db2.gz VSFTUYCDLIJLRC-HXUWFJFHSA-N 1 2 390.487 3.768 20 30 GHEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000594272920 865642454 /nfs/dbraw/zinc/64/24/54/865642454.db2.gz JGJHJOKXXWIAFX-MSOLQXFVSA-N 1 2 379.479 3.781 20 30 GHEDLO CS(=O)(=O)c1cccc([C@H]([NH2+][C@H]2CC[C@H](C#N)C2)c2cc(F)ccc2F)c1 ZINC000555331752 865910025 /nfs/dbraw/zinc/91/00/25/865910025.db2.gz QNKXXOYWFSSYCZ-RISOHXOYSA-N 1 2 390.455 3.740 20 30 GHEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000428352613 865999283 /nfs/dbraw/zinc/99/92/83/865999283.db2.gz RGSOJDOYHRESAR-QGZVFWFLSA-N 1 2 395.482 3.929 20 30 GHEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000428352613 865999291 /nfs/dbraw/zinc/99/92/91/865999291.db2.gz RGSOJDOYHRESAR-QGZVFWFLSA-N 1 2 395.482 3.929 20 30 GHEDLO CCc1ccc(O[C@H](C)C(=O)N2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000609916560 866142388 /nfs/dbraw/zinc/14/23/88/866142388.db2.gz RUOXRQRXGKLGNY-RBUKOAKNSA-N 1 2 391.515 3.793 20 30 GHEDLO C[NH+](C)c1ccc(N2CCC(=NNC(=S)Nc3ccc(F)cc3)CC2)cc1 ZINC000741458844 866529730 /nfs/dbraw/zinc/52/97/30/866529730.db2.gz XCXXFSDAFQNZOZ-UHFFFAOYSA-N 1 2 385.512 3.835 20 30 GHEDLO N#CCc1ccc(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)cc1 ZINC000534619406 867153157 /nfs/dbraw/zinc/15/31/57/867153157.db2.gz FYWJYVCZKSMQRF-UHFFFAOYSA-N 1 2 384.443 3.641 20 30 GHEDLO CC(C)(C)c1ncc(/C=C/C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000742481977 867317763 /nfs/dbraw/zinc/31/77/63/867317763.db2.gz DNOHDOKEZNHZKT-CMDGGOBGSA-N 1 2 394.544 3.670 20 30 GHEDLO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000744410828 868818658 /nfs/dbraw/zinc/81/86/58/868818658.db2.gz URSFWZDXNVMQHZ-MGPUTAFESA-N 1 2 376.435 3.642 20 30 GHEDLO C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000744410828 868818674 /nfs/dbraw/zinc/81/86/74/868818674.db2.gz URSFWZDXNVMQHZ-MGPUTAFESA-N 1 2 376.435 3.642 20 30 GHEDLO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000744410829 868819453 /nfs/dbraw/zinc/81/94/53/868819453.db2.gz URSFWZDXNVMQHZ-QRWLVFNGSA-N 1 2 376.435 3.642 20 30 GHEDLO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000744410829 868819460 /nfs/dbraw/zinc/81/94/60/868819460.db2.gz URSFWZDXNVMQHZ-QRWLVFNGSA-N 1 2 376.435 3.642 20 30 GHEDLO C=CC[N@H+](CCc1ccco1)CC(=O)N1c2ccccc2NC(=O)C12CCCC2 ZINC000491271321 869509710 /nfs/dbraw/zinc/50/97/10/869509710.db2.gz NXHFGPPMTBGBNB-UHFFFAOYSA-N 1 2 393.487 3.608 20 30 GHEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)N1c2ccccc2NC(=O)C12CCCC2 ZINC000491271321 869509716 /nfs/dbraw/zinc/50/97/16/869509716.db2.gz NXHFGPPMTBGBNB-UHFFFAOYSA-N 1 2 393.487 3.608 20 30 GHEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)[C@H]3C[N@H+](Cc4ccccc4)CCO3)sc2C1 ZINC000524915904 869752731 /nfs/dbraw/zinc/75/27/31/869752731.db2.gz WEQJICQPDOSFMD-DNVCBOLYSA-N 1 2 395.528 3.584 20 30 GHEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCO3)sc2C1 ZINC000524915904 869752738 /nfs/dbraw/zinc/75/27/38/869752738.db2.gz WEQJICQPDOSFMD-DNVCBOLYSA-N 1 2 395.528 3.584 20 30 GHEDLO C=CC[C@H](NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccncc1 ZINC000745828284 869850370 /nfs/dbraw/zinc/85/03/70/869850370.db2.gz RDPXWWJNMFHFFS-PMACEKPBSA-N 1 2 375.476 3.716 20 30 GHEDLO N#Cc1nnc2ccccc2c1N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000525358494 870476466 /nfs/dbraw/zinc/47/64/66/870476466.db2.gz WONBBHLJHGUQBM-UHFFFAOYSA-N 1 2 397.404 3.842 20 30 GHEDLO Cc1cc(C#N)ccc1S(=O)(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000446949622 870788805 /nfs/dbraw/zinc/78/88/05/870788805.db2.gz IKQXWHMNDDEURU-UHFFFAOYSA-N 1 2 392.484 3.867 20 30 GHEDLO CC(C)CCn1cccc1C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000508589437 871195356 /nfs/dbraw/zinc/19/53/56/871195356.db2.gz SIGKJMIVLGKIAQ-UHFFFAOYSA-N 1 2 393.491 3.976 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)Nc2cccc(C#N)c2)[C@@H](C)C1 ZINC000441271384 871659927 /nfs/dbraw/zinc/65/99/27/871659927.db2.gz WJUKIWGNNNSCMS-KRWDZBQOSA-N 1 2 378.476 3.695 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)Nc2cccc(C#N)c2)[C@@H](C)C1 ZINC000441271384 871659938 /nfs/dbraw/zinc/65/99/38/871659938.db2.gz WJUKIWGNNNSCMS-KRWDZBQOSA-N 1 2 378.476 3.695 20 30 GHEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(N[C@H]2CCc3ccccc3[C@H]2O)[nH+]1 ZINC001169620705 871682199 /nfs/dbraw/zinc/68/21/99/871682199.db2.gz BCARLCGPLHVMRT-BVRNAOGOSA-N 1 2 385.533 3.731 20 30 GHEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)c1ccccc1 ZINC000619117711 872337510 /nfs/dbraw/zinc/33/75/10/872337510.db2.gz ZXAZTCJUCOIFCS-LJQANCHMSA-N 1 2 397.438 3.661 20 30 GHEDLO COc1ccc(C)cc1C[NH+]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000619424714 872637887 /nfs/dbraw/zinc/63/78/87/872637887.db2.gz CITCXGLMKHMNBL-NRFANRHFSA-N 1 2 391.515 3.735 20 30 GHEDLO Cc1cc(F)cc([C@]2(F)CC[N@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)c1 ZINC000619723806 872922113 /nfs/dbraw/zinc/92/21/13/872922113.db2.gz ZGROYAMILHXZTF-IRLDBZIGSA-N 1 2 386.442 3.511 20 30 GHEDLO Cc1cc(F)cc([C@]2(F)CC[N@@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)c1 ZINC000619723806 872922121 /nfs/dbraw/zinc/92/21/21/872922121.db2.gz ZGROYAMILHXZTF-IRLDBZIGSA-N 1 2 386.442 3.511 20 30 GHEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)Cc1cc(-c2ccccc2)n[nH]1 ZINC001198534369 874466128 /nfs/dbraw/zinc/46/61/28/874466128.db2.gz VWZCVVYBBBBRQB-OTQYULQBSA-N 1 2 393.535 3.828 20 30 GHEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)Cc1cc(-c2ccccc2)n[nH]1 ZINC001198534369 874466131 /nfs/dbraw/zinc/46/61/31/874466131.db2.gz VWZCVVYBBBBRQB-OTQYULQBSA-N 1 2 393.535 3.828 20 30 GHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000443645081 874696446 /nfs/dbraw/zinc/69/64/46/874696446.db2.gz HIAVJWQUKQBQHG-JXFKEZNVSA-N 1 2 393.418 3.932 20 30 GHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000443645081 874696452 /nfs/dbraw/zinc/69/64/52/874696452.db2.gz HIAVJWQUKQBQHG-JXFKEZNVSA-N 1 2 393.418 3.932 20 30 GHEDLO N#Cc1ccc(C2([NH2+]Cc3nc(CCc4ccccc4)no3)CCOCC2)cc1 ZINC000528778515 875049559 /nfs/dbraw/zinc/04/95/59/875049559.db2.gz JMUDPLOLOFBLKM-UHFFFAOYSA-N 1 2 388.471 3.522 20 30 GHEDLO N#Cc1ccc(C2([NH2+]Cc3nc(-c4ccc(F)cc4)no3)CCOCC2)cc1 ZINC000528785501 875057521 /nfs/dbraw/zinc/05/75/21/875057521.db2.gz XNSZFCKQJRPMPM-UHFFFAOYSA-N 1 2 378.407 3.543 20 30 GHEDLO CC(C)(C)OC(=O)N1CCN(c2[nH+]cccc2Nc2ccc(C#N)cc2F)CC1 ZINC001201560414 875753524 /nfs/dbraw/zinc/75/35/24/875753524.db2.gz HILMIVMFISFQFS-UHFFFAOYSA-N 1 2 397.454 3.893 20 30 GHEDLO N#Cc1cccnc1N1CCN(c2[nH+]ccc3cc(C(F)(F)F)ccc32)CC1 ZINC000450231754 876126983 /nfs/dbraw/zinc/12/69/83/876126983.db2.gz JJIVQKCKPMTHIT-UHFFFAOYSA-N 1 2 383.377 3.847 20 30 GHEDLO N#Cc1cc(F)cc(C2(C(=O)OCC3CCN(c4cccc[nH+]4)CC3)CC2)c1 ZINC000851400839 877667941 /nfs/dbraw/zinc/66/79/41/877667941.db2.gz SGAPJVDMPNPSIX-UHFFFAOYSA-N 1 2 379.435 3.584 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c1 ZINC000451290543 877729820 /nfs/dbraw/zinc/72/98/20/877729820.db2.gz ZIKBNTCJVQMSHZ-HKUYNNGSSA-N 1 2 389.268 3.621 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c1 ZINC000451290543 877729832 /nfs/dbraw/zinc/72/98/32/877729832.db2.gz ZIKBNTCJVQMSHZ-HKUYNNGSSA-N 1 2 389.268 3.621 20 30 GHEDLO C=C[C@H](CC(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1)c1ccccc1 ZINC000533932970 877787564 /nfs/dbraw/zinc/78/75/64/877787564.db2.gz MFCIJTIULHRNRY-HXUWFJFHSA-N 1 2 394.515 3.578 20 30 GHEDLO C#CCOc1ccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000788289295 877998985 /nfs/dbraw/zinc/99/89/85/877998985.db2.gz AGXULXDYCWRDHX-WOJBJXKFSA-N 1 2 385.414 3.544 20 30 GHEDLO C#CCOc1ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000788289295 877998998 /nfs/dbraw/zinc/99/89/98/877998998.db2.gz AGXULXDYCWRDHX-WOJBJXKFSA-N 1 2 385.414 3.544 20 30 GHEDLO N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CCc4[nH+]ccn4C3)cc2F)c1 ZINC000615752716 878070586 /nfs/dbraw/zinc/07/05/86/878070586.db2.gz RBDPAMPBHKNPBS-KRWDZBQOSA-N 1 2 390.418 3.674 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)N2CCC(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245609459 878198093 /nfs/dbraw/zinc/19/80/93/878198093.db2.gz SGWXJXPVZOOHSG-ZWKOTPCHSA-N 1 2 378.879 3.560 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)N2CCC(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245609459 878198111 /nfs/dbraw/zinc/19/81/11/878198111.db2.gz SGWXJXPVZOOHSG-ZWKOTPCHSA-N 1 2 378.879 3.560 20 30 GHEDLO Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000852319412 878235496 /nfs/dbraw/zinc/23/54/96/878235496.db2.gz LYGXBWZQKHEDDM-SFHVURJKSA-N 1 2 390.487 3.812 20 30 GHEDLO Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000852319412 878235514 /nfs/dbraw/zinc/23/55/14/878235514.db2.gz LYGXBWZQKHEDDM-SFHVURJKSA-N 1 2 390.487 3.812 20 30 GHEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000852328678 878245566 /nfs/dbraw/zinc/24/55/66/878245566.db2.gz KKLFIKWOCAVLGL-OAQYLSRUSA-N 1 2 393.878 3.885 20 30 GHEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000852328678 878245587 /nfs/dbraw/zinc/24/55/87/878245587.db2.gz KKLFIKWOCAVLGL-OAQYLSRUSA-N 1 2 393.878 3.885 20 30 GHEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000852333816 878252898 /nfs/dbraw/zinc/25/28/98/878252898.db2.gz WAGPCTIAFVWVFX-MJGOQNOKSA-N 1 2 375.394 3.691 20 30 GHEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000852333816 878252904 /nfs/dbraw/zinc/25/29/04/878252904.db2.gz WAGPCTIAFVWVFX-MJGOQNOKSA-N 1 2 375.394 3.691 20 30 GHEDLO C[C@H]1CN(CC(F)(F)F)CC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000451883246 878617117 /nfs/dbraw/zinc/61/71/17/878617117.db2.gz UGXBDXMNDXWMEY-GFCCVEGCSA-N 1 2 390.247 3.637 20 30 GHEDLO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000451883246 878617122 /nfs/dbraw/zinc/61/71/22/878617122.db2.gz UGXBDXMNDXWMEY-GFCCVEGCSA-N 1 2 390.247 3.637 20 30 GHEDLO CCN(CCC#N)C(=O)C[N@@H+]1Cc2cc(OC)ccc2C[C@H]1c1ccccc1 ZINC000177464142 878713181 /nfs/dbraw/zinc/71/31/81/878713181.db2.gz HGJJDQCDEVITMJ-QFIPXVFZSA-N 1 2 377.488 3.557 20 30 GHEDLO CCN(CCC#N)C(=O)C[N@H+]1Cc2cc(OC)ccc2C[C@H]1c1ccccc1 ZINC000177464142 878713198 /nfs/dbraw/zinc/71/31/98/878713198.db2.gz HGJJDQCDEVITMJ-QFIPXVFZSA-N 1 2 377.488 3.557 20 30 GHEDLO N#Cc1cccc(-c2nnc(C[NH2+][C@@H](c3cccs3)C3(CO)CCC3)o2)c1 ZINC000452056569 878916687 /nfs/dbraw/zinc/91/66/87/878916687.db2.gz FBJGMQVMVHORPH-SFHVURJKSA-N 1 2 380.473 3.663 20 30 GHEDLO COc1cc(C)c([C@@H](C)[NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)cc1OC ZINC000538190705 879008295 /nfs/dbraw/zinc/00/82/95/879008295.db2.gz OTIYRXACHDXSKL-CQSZACIVSA-N 1 2 378.432 3.785 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)ccc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000285754717 912421856 /nfs/dbraw/zinc/42/18/56/912421856.db2.gz IDOPGRVZGQUWCN-MSOLQXFVSA-N 1 2 375.806 3.665 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)ccc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000285754717 912421860 /nfs/dbraw/zinc/42/18/60/912421860.db2.gz IDOPGRVZGQUWCN-MSOLQXFVSA-N 1 2 375.806 3.665 20 30 GHEDLO N#CCc1cccc(S(=O)(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1 ZINC000790423059 879703453 /nfs/dbraw/zinc/70/34/53/879703453.db2.gz LYIDIARCFSPPGY-UHFFFAOYSA-N 1 2 393.468 3.720 20 30 GHEDLO C=CCN1CC[C@@H]([NH2+][C@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)C1=O ZINC000538610115 879852801 /nfs/dbraw/zinc/85/28/01/879852801.db2.gz PNEDSBOMOIEDDX-WIYYLYMNSA-N 1 2 398.890 3.577 20 30 GHEDLO Cc1cc(C)c2ncc(C#N)c(NC[C@H](c3ccccc3)[NH+]3CCOCC3)c2c1 ZINC000461459889 879873425 /nfs/dbraw/zinc/87/34/25/879873425.db2.gz HJNSTWDFSOZPAG-JOCHJYFZSA-N 1 2 386.499 3.631 20 30 GHEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](Cc1cc(Br)ccc1F)C(C)C ZINC000531841710 880586783 /nfs/dbraw/zinc/58/67/83/880586783.db2.gz CDGMSBONYUDSEY-AWEZNQCLSA-N 1 2 398.320 3.807 20 30 GHEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](Cc1cc(Br)ccc1F)C(C)C ZINC000531841710 880586791 /nfs/dbraw/zinc/58/67/91/880586791.db2.gz CDGMSBONYUDSEY-AWEZNQCLSA-N 1 2 398.320 3.807 20 30 GHEDLO C=CC[C@@]1(C(=O)OCc2cccc3[nH+]ccn32)CCCN1C(=O)OC(C)(C)C ZINC000791835558 880741882 /nfs/dbraw/zinc/74/18/82/880741882.db2.gz JDCRBYWRFLUEPN-NRFANRHFSA-N 1 2 385.464 3.723 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(Cl)cc1Cl)C2 ZINC001275202437 912606315 /nfs/dbraw/zinc/60/63/15/912606315.db2.gz QEEIKDOGZUHGDW-IBGZPJMESA-N 1 2 383.319 3.620 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccc(Cl)cc1Cl)C2 ZINC001275202437 912606321 /nfs/dbraw/zinc/60/63/21/912606321.db2.gz QEEIKDOGZUHGDW-IBGZPJMESA-N 1 2 383.319 3.620 20 30 GHEDLO N#Cc1ccc(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)o1 ZINC000499101803 881114799 /nfs/dbraw/zinc/11/47/99/881114799.db2.gz MNOMDBBOXGZASI-UHFFFAOYSA-N 1 2 378.259 3.852 20 30 GHEDLO Cc1ccc(C[NH+]2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)c(C)n1 ZINC000187386584 881173822 /nfs/dbraw/zinc/17/38/22/881173822.db2.gz HPCFMUCNNXLSCV-HXUWFJFHSA-N 1 2 399.336 3.843 20 30 GHEDLO COc1cc(C(=O)N2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)ccc1C ZINC000135131073 883222305 /nfs/dbraw/zinc/22/23/05/883222305.db2.gz WKPSQOAINURJPF-UHFFFAOYSA-N 1 2 391.515 3.763 20 30 GHEDLO C=CCn1c(SCC[N@H+]2CCOC[C@@H]2C)nnc1-c1cccc(Cl)c1 ZINC000551086672 883264505 /nfs/dbraw/zinc/26/45/05/883264505.db2.gz XNMGTKRQJCNDFS-AWEZNQCLSA-N 1 2 378.929 3.597 20 30 GHEDLO C=CCn1c(SCC[N@@H+]2CCOC[C@@H]2C)nnc1-c1cccc(Cl)c1 ZINC000551086672 883264522 /nfs/dbraw/zinc/26/45/22/883264522.db2.gz XNMGTKRQJCNDFS-AWEZNQCLSA-N 1 2 378.929 3.597 20 30 GHEDLO N#C[C@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccc(Br)cc1 ZINC000609792415 883686548 /nfs/dbraw/zinc/68/65/48/883686548.db2.gz MWSROYIVRIMFCP-KRWDZBQOSA-N 1 2 381.233 3.629 20 30 GHEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@@H](O)Cc3ccc(C(F)(F)F)cc3)CCO2)c1 ZINC000761764512 884141924 /nfs/dbraw/zinc/14/19/24/884141924.db2.gz AYTUWYSGLAKTHR-PMACEKPBSA-N 1 2 390.405 3.554 20 30 GHEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@@H](O)Cc3ccc(C(F)(F)F)cc3)CCO2)c1 ZINC000761764512 884141933 /nfs/dbraw/zinc/14/19/33/884141933.db2.gz AYTUWYSGLAKTHR-PMACEKPBSA-N 1 2 390.405 3.554 20 30 GHEDLO N#Cc1ccc(OC(F)F)c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000102746419 884389466 /nfs/dbraw/zinc/38/94/66/884389466.db2.gz BYTYRIXIRMRQCA-UHFFFAOYSA-N 1 2 399.313 3.506 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC001183831156 912836437 /nfs/dbraw/zinc/83/64/37/912836437.db2.gz LSCQXEFTAUTEGW-DHIUTWEWSA-N 1 2 389.499 3.513 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC001183831156 912836446 /nfs/dbraw/zinc/83/64/46/912836446.db2.gz LSCQXEFTAUTEGW-DHIUTWEWSA-N 1 2 389.499 3.513 20 30 GHEDLO C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1ccc(F)c(F)c1 ZINC000044438908 884853678 /nfs/dbraw/zinc/85/36/78/884853678.db2.gz NRZYHVZCYQCWSE-UHFFFAOYSA-N 1 2 396.359 3.583 20 30 GHEDLO C[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1ccc(F)c(F)c1 ZINC000044438908 884853694 /nfs/dbraw/zinc/85/36/94/884853694.db2.gz NRZYHVZCYQCWSE-UHFFFAOYSA-N 1 2 396.359 3.583 20 30 GHEDLO N#CC1(c2ccc(COC(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)cc2)CC1 ZINC000777149243 884968582 /nfs/dbraw/zinc/96/85/82/884968582.db2.gz LMRMPOZQITXBGB-UHFFFAOYSA-N 1 2 388.383 3.693 20 30 GHEDLO O=C(C#Cc1ccc2c(c1)OCO2)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000761955447 885036951 /nfs/dbraw/zinc/03/69/51/885036951.db2.gz FYHZYUSZPLRIQG-UHFFFAOYSA-N 1 2 385.423 3.605 20 30 GHEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000666450228 885070492 /nfs/dbraw/zinc/07/04/92/885070492.db2.gz NBWFCTLFFUARBL-SNVBAGLBSA-N 1 2 397.294 3.991 20 30 GHEDLO N#Cc1ccc(C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C2CC2)cc1 ZINC000194960215 885995916 /nfs/dbraw/zinc/99/59/16/885995916.db2.gz WXWFXRBSYDEHRQ-UHFFFAOYSA-N 1 2 375.388 3.681 20 30 GHEDLO N#Cc1ccc(C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C2CC2)cc1 ZINC000194960215 885995920 /nfs/dbraw/zinc/99/59/20/885995920.db2.gz WXWFXRBSYDEHRQ-UHFFFAOYSA-N 1 2 375.388 3.681 20 30 GHEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)CN1CCN(c2ccc(Cl)cc2)C1=O ZINC000808146737 886051620 /nfs/dbraw/zinc/05/16/20/886051620.db2.gz BYLNSXGKHVYGCM-UHFFFAOYSA-N 1 2 398.894 3.560 20 30 GHEDLO COCC[N@H+](Cc1ccc(C#N)cc1)CN1CCN(c2ccc(Cl)cc2)C1=O ZINC000808146737 886051631 /nfs/dbraw/zinc/05/16/31/886051631.db2.gz BYLNSXGKHVYGCM-UHFFFAOYSA-N 1 2 398.894 3.560 20 30 GHEDLO COc1cc(C(N)=[NH+]OCc2ccc(Cl)cc2C#N)ccc1OC(F)F ZINC000774722182 913057475 /nfs/dbraw/zinc/05/74/75/913057475.db2.gz KZNUOMNPYHVAKV-UHFFFAOYSA-N 1 2 381.766 3.868 20 30 GHEDLO C[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1ncc(Br)cn1 ZINC000556906816 886583463 /nfs/dbraw/zinc/58/34/63/886583463.db2.gz ATMFIKRHRAXAOO-ZDUSSCGKSA-N 1 2 375.270 3.772 20 30 GHEDLO C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000105016783 887224990 /nfs/dbraw/zinc/22/49/90/887224990.db2.gz WXDIQEZDZFVGHE-IAGOWNOFSA-N 1 2 394.475 3.581 20 30 GHEDLO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000465515140 888223883 /nfs/dbraw/zinc/22/38/83/888223883.db2.gz FJZSCJXJNBDMSZ-XZOQPEGZSA-N 1 2 399.498 3.913 20 30 GHEDLO N#Cc1cc(C(=O)O[C@@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)c[nH]1 ZINC000810883746 888952171 /nfs/dbraw/zinc/95/21/71/888952171.db2.gz ZITPJNKUZUMUID-INIZCTEOSA-N 1 2 375.215 3.988 20 30 GHEDLO CCO[C@H](C)c1nc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cs1 ZINC000533038522 889589962 /nfs/dbraw/zinc/58/99/62/889589962.db2.gz VPUNUGLYHVJESU-OAHLLOKOSA-N 1 2 398.532 3.963 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000454820028 889772611 /nfs/dbraw/zinc/77/26/11/889772611.db2.gz QFOIKKJLXDXTBX-YWKPPDPDSA-N 1 2 394.441 3.621 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000454820028 889772617 /nfs/dbraw/zinc/77/26/17/889772617.db2.gz QFOIKKJLXDXTBX-YWKPPDPDSA-N 1 2 394.441 3.621 20 30 GHEDLO C[C@H](C#N)C[N@H+](CCC(=O)Nc1ccccc1C(=O)c1ccccc1)C1CC1 ZINC000533138304 889849077 /nfs/dbraw/zinc/84/90/77/889849077.db2.gz ZJRXPTVOSBMBMK-QGZVFWFLSA-N 1 2 375.472 3.870 20 30 GHEDLO C[C@H](C#N)C[N@@H+](CCC(=O)Nc1ccccc1C(=O)c1ccccc1)C1CC1 ZINC000533138304 889849088 /nfs/dbraw/zinc/84/90/88/889849088.db2.gz ZJRXPTVOSBMBMK-QGZVFWFLSA-N 1 2 375.472 3.870 20 30 GHEDLO C#CCOc1ccc(Br)cc1C[NH2+]Cc1cn2cccc(C)c2n1 ZINC000124031114 891230452 /nfs/dbraw/zinc/23/04/52/891230452.db2.gz WFWKNVACOSQRRA-UHFFFAOYSA-N 1 2 384.277 3.707 20 30 GHEDLO C=CCOc1cccc(C[NH+]2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c1 ZINC000508678569 892329227 /nfs/dbraw/zinc/32/92/27/892329227.db2.gz KCUXOYZKLQQOGV-UHFFFAOYSA-N 1 2 389.499 3.620 20 30 GHEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3c(Cl)nc4cc(Cl)ccn43)C2)nc1 ZINC000814171973 892366378 /nfs/dbraw/zinc/36/63/78/892366378.db2.gz VKXUUIWYXJNQDY-CQSZACIVSA-N 1 2 388.258 3.561 20 30 GHEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3c(Cl)nc4cc(Cl)ccn43)C2)nc1 ZINC000814171973 892366392 /nfs/dbraw/zinc/36/63/92/892366392.db2.gz VKXUUIWYXJNQDY-CQSZACIVSA-N 1 2 388.258 3.561 20 30 GHEDLO CCc1ccc(C#CC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000814531284 892864470 /nfs/dbraw/zinc/86/44/70/892864470.db2.gz FWVXOEDHUFLNDY-OALUTQOASA-N 1 2 376.500 3.848 20 30 GHEDLO C=CCn1cc2ccc(NC(=O)N3CC[NH+]([C@H](C)c4cccnc4)CC3)cc2n1 ZINC000933687807 893133441 /nfs/dbraw/zinc/13/34/41/893133441.db2.gz ZERRZVMFJXZUJV-QGZVFWFLSA-N 1 2 390.491 3.528 20 30 GHEDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)Cc1cc(C#N)cs1 ZINC000933775859 893211031 /nfs/dbraw/zinc/21/10/31/893211031.db2.gz WFSQHOAHCSANEK-SNVBAGLBSA-N 1 2 378.841 3.640 20 30 GHEDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933775859 893211049 /nfs/dbraw/zinc/21/10/49/893211049.db2.gz WFSQHOAHCSANEK-SNVBAGLBSA-N 1 2 378.841 3.640 20 30 GHEDLO COC[C@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1cccc(Br)c1 ZINC000877758894 893798052 /nfs/dbraw/zinc/79/80/52/893798052.db2.gz NKHBSQOKQWXSEX-HNNXBMFYSA-N 1 2 380.673 3.846 20 30 GHEDLO CC(=O)[C@@](C#N)(CC[N@@H+]1CCc2c(cnn2-c2ccccc2)C1)c1ccccc1 ZINC000877960197 893915501 /nfs/dbraw/zinc/91/55/01/893915501.db2.gz HSLULEPTAZXWCY-DEOSSOPVSA-N 1 2 384.483 3.671 20 30 GHEDLO CC(=O)[C@@](C#N)(CC[N@H+]1CCc2c(cnn2-c2ccccc2)C1)c1ccccc1 ZINC000877960197 893915514 /nfs/dbraw/zinc/91/55/14/893915514.db2.gz HSLULEPTAZXWCY-DEOSSOPVSA-N 1 2 384.483 3.671 20 30 GHEDLO CC[NH+](CC)Cc1csc(NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)n1 ZINC000918560678 893981029 /nfs/dbraw/zinc/98/10/29/893981029.db2.gz WPCZNHWMQXGCGU-GOSISDBHSA-N 1 2 386.521 3.899 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c(C(F)(F)F)c1 ZINC000564529518 895056679 /nfs/dbraw/zinc/05/66/79/895056679.db2.gz PNMFKCFLQGAHEW-HNNXBMFYSA-N 1 2 375.398 3.952 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c(C(F)(F)F)c1 ZINC000564529518 895056697 /nfs/dbraw/zinc/05/66/97/895056697.db2.gz PNMFKCFLQGAHEW-HNNXBMFYSA-N 1 2 375.398 3.952 20 30 GHEDLO COc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1OCCCC#N ZINC000897592609 895209191 /nfs/dbraw/zinc/20/91/91/895209191.db2.gz YEGAJGDAUOVPOV-HSZRJFAPSA-N 1 2 391.471 3.823 20 30 GHEDLO COc1ccc(C[N@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1OCCCC#N ZINC000897592609 895209204 /nfs/dbraw/zinc/20/92/04/895209204.db2.gz YEGAJGDAUOVPOV-HSZRJFAPSA-N 1 2 391.471 3.823 20 30 GHEDLO C=C[C@](C)(CC)c1nc(-c2ccc(N3CCN(c4cccc[nH+]4)CC3)nc2)no1 ZINC000566587305 896395125 /nfs/dbraw/zinc/39/51/25/896395125.db2.gz ROELKFYKOUQKQU-JOCHJYFZSA-N 1 2 390.491 3.707 20 30 GHEDLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NCC(F)(F)c1cc(F)cc(F)c1 ZINC000881834642 896546248 /nfs/dbraw/zinc/54/62/48/896546248.db2.gz XSKQQOXKZLTWNH-LBPRGKRZSA-N 1 2 383.267 3.563 20 30 GHEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1[C@@H]1CCc2cccc(Cl)c2C1 ZINC001170931059 896843019 /nfs/dbraw/zinc/84/30/19/896843019.db2.gz MAQKMPPWNZYHQA-UZLBHIALSA-N 1 2 386.927 3.611 20 30 GHEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1[C@@H]1CCc2cccc(Cl)c2C1 ZINC001170931059 896843035 /nfs/dbraw/zinc/84/30/35/896843035.db2.gz MAQKMPPWNZYHQA-UZLBHIALSA-N 1 2 386.927 3.611 20 30 GHEDLO C#CCCCOc1ccc[nH+]c1NCC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000820639186 897433245 /nfs/dbraw/zinc/43/32/45/897433245.db2.gz DTFKBTMTVIDCRB-UHFFFAOYSA-N 1 2 394.471 3.763 20 30 GHEDLO C=CCN(Cc1ccccc1F)C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC001136364503 897464039 /nfs/dbraw/zinc/46/40/39/897464039.db2.gz KWHSDXKBDWYWCM-UHFFFAOYSA-N 1 2 378.451 3.963 20 30 GHEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000568410696 897816038 /nfs/dbraw/zinc/81/60/38/897816038.db2.gz VMSZJUSGAGKHFZ-QGZVFWFLSA-N 1 2 378.451 3.645 20 30 GHEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC=C(c2ccccn2)C1 ZINC000568410696 897816043 /nfs/dbraw/zinc/81/60/43/897816043.db2.gz VMSZJUSGAGKHFZ-QGZVFWFLSA-N 1 2 378.451 3.645 20 30 GHEDLO C#CCC[NH+]1CCN(C(=O)c2oc3c(cc(Br)cc3C)c2C)CC1 ZINC000778643714 897840128 /nfs/dbraw/zinc/84/01/28/897840128.db2.gz IUHNVGSZBKNIBL-UHFFFAOYSA-N 1 2 389.293 3.593 20 30 GHEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(N[C@H]2CCc3ccc(O)cc3C2)[nH+]1 ZINC001171029647 899236101 /nfs/dbraw/zinc/23/61/01/899236101.db2.gz RMGLCXWHPDWAFC-FHQYNKOYSA-N 1 2 385.533 3.946 20 30 GHEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000570643202 899463288 /nfs/dbraw/zinc/46/32/88/899463288.db2.gz PAYHXERHBQPXDV-OAHLLOKOSA-N 1 2 382.430 3.916 20 30 GHEDLO CSc1nc(C2CC2)cc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)c1C#N ZINC000571099045 899740334 /nfs/dbraw/zinc/74/03/34/899740334.db2.gz PEWUSPYDQIWYDC-SUMWQHHRSA-N 1 2 397.504 3.528 20 30 GHEDLO CSc1nc(C2CC2)cc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)c1C#N ZINC000571099045 899740337 /nfs/dbraw/zinc/74/03/37/899740337.db2.gz PEWUSPYDQIWYDC-SUMWQHHRSA-N 1 2 397.504 3.528 20 30 GHEDLO COC(=O)C1(C#N)CC[NH+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC1 ZINC000824867018 899846403 /nfs/dbraw/zinc/84/64/03/899846403.db2.gz KTZIOVGGYSNFQG-UHFFFAOYSA-N 1 2 394.519 3.508 20 30 GHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000571502155 899888963 /nfs/dbraw/zinc/88/89/63/899888963.db2.gz XFBJWFMQUUWYKP-FCHUYYIVSA-N 1 2 388.515 3.822 20 30 GHEDLO COCCN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000844354076 900753697 /nfs/dbraw/zinc/75/36/97/900753697.db2.gz GDZCLATVGWFBKN-UHFFFAOYSA-N 1 2 391.487 3.545 20 30 GHEDLO N#Cc1ccccc1Sc1ccc(C(=O)Nc2c[nH+]ccc2-n2ccnn2)cc1 ZINC000574941706 901063791 /nfs/dbraw/zinc/06/37/91/901063791.db2.gz KXTOQBVOVPNTQY-UHFFFAOYSA-N 1 2 398.451 3.937 20 30 GHEDLO Cc1nn(C)c(N2CCOCC2)c1C=[NH+]Nc1ccccc1Cc1ccccc1 ZINC000844615828 901079352 /nfs/dbraw/zinc/07/93/52/901079352.db2.gz AOGIKPHOEIPSNO-UHFFFAOYSA-N 1 2 389.503 3.602 20 30 GHEDLO N#Cc1ccc(CO[NH+]=Cc2ccc(N3CCCC3)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000844761732 901244197 /nfs/dbraw/zinc/24/41/97/901244197.db2.gz BMKWFUGIUVTNRQ-UHFFFAOYSA-N 1 2 395.375 3.526 20 30 GHEDLO C=CCC1(O)CC[NH+]([C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)CC1 ZINC000886772095 901265188 /nfs/dbraw/zinc/26/51/88/901265188.db2.gz SEHMGVFPLHRRKS-INIZCTEOSA-N 1 2 377.554 3.600 20 30 GHEDLO C=CCCS(=O)(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000576138830 901719440 /nfs/dbraw/zinc/71/94/40/901719440.db2.gz LVPGACFAWACZTB-IAGOWNOFSA-N 1 2 388.936 3.889 20 30 GHEDLO C=CCCS(=O)(=O)N[C@@H]1CC[N@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000576138830 901719454 /nfs/dbraw/zinc/71/94/54/901719454.db2.gz LVPGACFAWACZTB-IAGOWNOFSA-N 1 2 388.936 3.889 20 30 GHEDLO C[C@@H]1CCN(C(=O)c2occc2COc2cccc(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000123133552 901901230 /nfs/dbraw/zinc/90/12/30/901901230.db2.gz NYPXODZQGUWGFU-UZLBHIALSA-N 1 2 390.443 3.650 20 30 GHEDLO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000333297042 901983573 /nfs/dbraw/zinc/98/35/73/901983573.db2.gz LHZLXAKWUTUJIZ-FCHUYYIVSA-N 1 2 399.498 3.777 20 30 GHEDLO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000333297042 901983581 /nfs/dbraw/zinc/98/35/81/901983581.db2.gz LHZLXAKWUTUJIZ-FCHUYYIVSA-N 1 2 399.498 3.777 20 30 GHEDLO N#Cc1ccccc1OC1CCC(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CC1 ZINC000333305732 901990484 /nfs/dbraw/zinc/99/04/84/901990484.db2.gz ULTOVWVOWFCUMZ-UHFFFAOYSA-N 1 2 393.491 3.561 20 30 GHEDLO N#Cc1ccccc1OC1CCC(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CC1 ZINC000333305732 901990493 /nfs/dbraw/zinc/99/04/93/901990493.db2.gz ULTOVWVOWFCUMZ-UHFFFAOYSA-N 1 2 393.491 3.561 20 30 GHEDLO N#C[C@@H](NC(=O)c1cc(-n2cc[nH+]c2)ccc1O)c1cccc(C(F)(F)F)c1 ZINC001144437809 902182514 /nfs/dbraw/zinc/18/25/14/902182514.db2.gz IZENJBHVIADNEG-MRXNPFEDSA-N 1 2 386.333 3.591 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCc3ccc(OCC#N)cc3)n2)C1 ZINC000263938406 902698940 /nfs/dbraw/zinc/69/89/40/902698940.db2.gz PCSVVXSREHHCPM-OAHLLOKOSA-N 1 2 399.520 3.599 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCc3ccc(OCC#N)cc3)n2)C1 ZINC000263938406 902698945 /nfs/dbraw/zinc/69/89/45/902698945.db2.gz PCSVVXSREHHCPM-OAHLLOKOSA-N 1 2 399.520 3.599 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000264490205 903135369 /nfs/dbraw/zinc/13/53/69/903135369.db2.gz AVOAMJUUAVLVHP-INIZCTEOSA-N 1 2 381.505 3.687 20 30 GHEDLO C=CC[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)CC1CCCCC1 ZINC000264756418 903360627 /nfs/dbraw/zinc/36/06/27/903360627.db2.gz HKILLOUFSCUOHG-SFHVURJKSA-N 1 2 378.476 3.580 20 30 GHEDLO C=CC[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)CC1CCCCC1 ZINC000264756418 903360638 /nfs/dbraw/zinc/36/06/38/903360638.db2.gz HKILLOUFSCUOHG-SFHVURJKSA-N 1 2 378.476 3.580 20 30 GHEDLO C=CC[N@@H+](CCc1ccccc1)Cc1ncc(I)s1 ZINC000578099626 903515266 /nfs/dbraw/zinc/51/52/66/903515266.db2.gz CHKSANUSONJGQW-UHFFFAOYSA-N 1 2 384.286 3.978 20 30 GHEDLO C=CC[N@H+](CCc1ccccc1)Cc1ncc(I)s1 ZINC000578099626 903515269 /nfs/dbraw/zinc/51/52/69/903515269.db2.gz CHKSANUSONJGQW-UHFFFAOYSA-N 1 2 384.286 3.978 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)c1=S ZINC000159865467 904246926 /nfs/dbraw/zinc/24/69/26/904246926.db2.gz SNNSIISOBFBWJL-WMZOPIPTSA-N 1 2 392.532 3.893 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)c1=S ZINC000159865467 904246940 /nfs/dbraw/zinc/24/69/40/904246940.db2.gz SNNSIISOBFBWJL-WMZOPIPTSA-N 1 2 392.532 3.893 20 30 GHEDLO Cc1c(C#N)c2[nH]c3ccccc3n2c(=O)c1C=[NH+]N[C@H]1CCCCC1(C)C ZINC000773126528 904450914 /nfs/dbraw/zinc/45/09/14/904450914.db2.gz UCVXNGKDUSQKEE-IBGZPJMESA-N 1 2 375.476 3.853 20 30 GHEDLO C#CCOc1cccc(Cl)c1C[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000779161634 904950266 /nfs/dbraw/zinc/95/02/66/904950266.db2.gz NHODAEJJRAGLMG-UHFFFAOYSA-N 1 2 396.874 3.867 20 30 GHEDLO C#CCOc1cccc(Cl)c1C[N@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000779161634 904950274 /nfs/dbraw/zinc/95/02/74/904950274.db2.gz NHODAEJJRAGLMG-UHFFFAOYSA-N 1 2 396.874 3.867 20 30 GHEDLO CC(C)(C)OC(=O)C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC001171735427 905019461 /nfs/dbraw/zinc/01/94/61/905019461.db2.gz UBXGEJOWCHDHOP-MRXNPFEDSA-N 1 2 391.899 3.736 20 30 GHEDLO CC(C)(C)OC(=O)C[C@H]1CCCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC001171735427 905019478 /nfs/dbraw/zinc/01/94/78/905019478.db2.gz UBXGEJOWCHDHOP-MRXNPFEDSA-N 1 2 391.899 3.736 20 30 GHEDLO CCOC(=O)c1c(C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)occ1C(F)(F)F ZINC001171791713 905049028 /nfs/dbraw/zinc/04/90/28/905049028.db2.gz NYGICTRYIOMLMT-HNNXBMFYSA-N 1 2 396.365 3.512 20 30 GHEDLO CCOC(=O)c1c(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)occ1C(F)(F)F ZINC001171791713 905049046 /nfs/dbraw/zinc/04/90/46/905049046.db2.gz NYGICTRYIOMLMT-HNNXBMFYSA-N 1 2 396.365 3.512 20 30 GHEDLO CCn1cncc1/C=C1\CN(c2ccccc2)C/C(=C\c2c[nH+]cn2CC)C1=O ZINC000901466030 921135269 /nfs/dbraw/zinc/13/52/69/921135269.db2.gz IKRZMZPBCXYJRN-XOBNHNQQSA-N 1 2 387.487 3.676 20 30 GHEDLO C[C@H](CCCC#N)[NH2+][C@@H](CCC(=O)OCc1ccccc1)C(=O)OC(C)(C)C ZINC001172483233 905558583 /nfs/dbraw/zinc/55/85/83/905558583.db2.gz NQURGLXDEJOWDA-MJGOQNOKSA-N 1 2 388.508 3.892 20 30 GHEDLO C[N@H+](CCOc1ccc(C(F)(F)F)cc1)CC(=O)Nc1sccc1C#N ZINC000190372995 905999382 /nfs/dbraw/zinc/99/93/82/905999382.db2.gz KKLMCDHWYHSSRI-UHFFFAOYSA-N 1 2 383.395 3.588 20 30 GHEDLO C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)CC(=O)Nc1sccc1C#N ZINC000190372995 905999391 /nfs/dbraw/zinc/99/93/91/905999391.db2.gz KKLMCDHWYHSSRI-UHFFFAOYSA-N 1 2 383.395 3.588 20 30 GHEDLO C=CCOC1CCC([NH2+][C@@H](CSCc2ccccc2)C(=O)OCC)CC1 ZINC001173317100 906389267 /nfs/dbraw/zinc/38/92/67/906389267.db2.gz AVWWLBONGWDJLG-MHJFOBGBSA-N 1 2 377.550 3.955 20 30 GHEDLO N#CC1([NH2+]C2CCN(C(=O)c3ccc(Br)cc3)CC2)CCCCC1 ZINC001173382827 906412541 /nfs/dbraw/zinc/41/25/41/906412541.db2.gz JDUOTSBVBNAYJC-UHFFFAOYSA-N 1 2 390.325 3.870 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000180568984 906795193 /nfs/dbraw/zinc/79/51/93/906795193.db2.gz QDOVZGNSIKJGNT-UXHICEINSA-N 1 2 381.426 3.695 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000180568984 906795203 /nfs/dbraw/zinc/79/52/03/906795203.db2.gz QDOVZGNSIKJGNT-UXHICEINSA-N 1 2 381.426 3.695 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCc2cccc(NC(C)=O)c2C1 ZINC001175276541 907455764 /nfs/dbraw/zinc/45/57/64/907455764.db2.gz IZIHLDQELMBCIS-MRXNPFEDSA-N 1 2 397.544 3.668 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCc2cccc(NC(C)=O)c2C1 ZINC001175276541 907455769 /nfs/dbraw/zinc/45/57/69/907455769.db2.gz IZIHLDQELMBCIS-MRXNPFEDSA-N 1 2 397.544 3.668 20 30 GHEDLO N#Cc1ccc(Br)c(C[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)c1 ZINC000191820319 908679229 /nfs/dbraw/zinc/67/92/29/908679229.db2.gz GTSWLZRLMUDMIL-IBGZPJMESA-N 1 2 398.304 3.774 20 30 GHEDLO CCS(=O)(=O)C1CC[NH+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000195164032 908992213 /nfs/dbraw/zinc/99/22/13/908992213.db2.gz QBVFJGURHQNGOH-UHFFFAOYSA-N 1 2 398.528 3.536 20 30 GHEDLO C#CCCCCCC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000779833635 909008734 /nfs/dbraw/zinc/00/87/34/909008734.db2.gz HTDITKPGRIGYOP-UHFFFAOYSA-N 1 2 382.426 3.813 20 30 GHEDLO C=CCCC(C)(C)CNC(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000635260778 909198695 /nfs/dbraw/zinc/19/86/95/909198695.db2.gz RNLQARZSBGNQFW-UHFFFAOYSA-N 1 2 392.503 3.649 20 30 GHEDLO O=C(NC1=CC(=O)CCC1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001180818819 910387134 /nfs/dbraw/zinc/38/71/34/910387134.db2.gz VYAKRJLTNOKDIP-UHFFFAOYSA-N 1 2 381.303 3.959 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(OCc3ccccc3F)CC2)c(C#N)c1C ZINC000091863501 911306725 /nfs/dbraw/zinc/30/67/25/911306725.db2.gz KHMBNDHACHXUJX-HNNXBMFYSA-N 1 2 399.466 3.915 20 30 GHEDLO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000284069876 911740494 /nfs/dbraw/zinc/74/04/94/911740494.db2.gz KPGXUJOXXYNPNG-FQEVSTJZSA-N 1 2 386.492 3.524 20 30 GHEDLO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000284069876 911740499 /nfs/dbraw/zinc/74/04/99/911740499.db2.gz KPGXUJOXXYNPNG-FQEVSTJZSA-N 1 2 386.492 3.524 20 30 GHEDLO N=C(c1ccccc1N)N(O)C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001182939066 912170143 /nfs/dbraw/zinc/17/01/43/912170143.db2.gz ZNKVNEYGESXGDX-UHFFFAOYSA-N 1 2 388.471 3.514 20 30 GHEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(Br)ccc1F ZINC001275713559 916287420 /nfs/dbraw/zinc/28/74/20/916287420.db2.gz CFQFMVOGHGXPMI-SFHVURJKSA-N 1 2 381.289 3.731 20 30 GHEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Br)ccc1F ZINC001275713559 916287439 /nfs/dbraw/zinc/28/74/39/916287439.db2.gz CFQFMVOGHGXPMI-SFHVURJKSA-N 1 2 381.289 3.731 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(Cc3nc([C@@H]4C[C@H]4C)no3)CC2)c1C ZINC000649782978 916408420 /nfs/dbraw/zinc/40/84/20/916408420.db2.gz VIJXGRIBPQQXFQ-DNVCBOLYSA-N 1 2 396.535 3.935 20 30 GHEDLO C[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc(N2CCCC2=O)cc1 ZINC000775268487 916746153 /nfs/dbraw/zinc/74/61/53/916746153.db2.gz ZRTRFQCFBVLWQA-OAHLLOKOSA-N 1 2 387.443 3.586 20 30 GHEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(Br)c(F)c1 ZINC001275781492 917215406 /nfs/dbraw/zinc/21/54/06/917215406.db2.gz NGBZOLZPZUDDOL-GOSISDBHSA-N 1 2 381.289 3.731 20 30 GHEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(Br)c(F)c1 ZINC001275781492 917215415 /nfs/dbraw/zinc/21/54/15/917215415.db2.gz NGBZOLZPZUDDOL-GOSISDBHSA-N 1 2 381.289 3.731 20 30 GHEDLO Cc1cccc(O[C@H](C)C(=O)N2CC[NH+](Cc3c(C)cc(C#N)cc3C)CC2)c1 ZINC001190993768 917693259 /nfs/dbraw/zinc/69/32/59/917693259.db2.gz CKXOLWVWUKWEGB-HXUWFJFHSA-N 1 2 391.515 3.595 20 30 GHEDLO N#Cc1ccc(OCc2cccc(C(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)c2)cc1 ZINC000363066905 917715224 /nfs/dbraw/zinc/71/52/24/917715224.db2.gz WOVQQOLFVXYRGU-FQEVSTJZSA-N 1 2 386.455 3.880 20 30 GHEDLO C#Cc1ccccc1C(=O)NCc1c[nH+]cn1Cc1cccc(Br)c1 ZINC001191128317 917770311 /nfs/dbraw/zinc/77/03/11/917770311.db2.gz JBOUXDLSZBMGNK-UHFFFAOYSA-N 1 2 394.272 3.605 20 30 GHEDLO C=CCCn1cc(C[NH+]2CCC(Oc3cccc(Br)c3)CC2)nn1 ZINC000653617648 918362588 /nfs/dbraw/zinc/36/25/88/918362588.db2.gz TWBOQXBSVIPFPG-UHFFFAOYSA-N 1 2 391.313 3.660 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2sc(N3CCCC3)nc2Cl)C1=O ZINC001275856777 918856953 /nfs/dbraw/zinc/85/69/53/918856953.db2.gz KSCHRLQPTYIXRQ-IBGZPJMESA-N 1 2 394.972 3.540 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2sc(N3CCCC3)nc2Cl)C1=O ZINC001275856777 918856958 /nfs/dbraw/zinc/85/69/58/918856958.db2.gz KSCHRLQPTYIXRQ-IBGZPJMESA-N 1 2 394.972 3.540 20 30 GHEDLO Cc1noc([C@H]2CCC[N@H+]2CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)n1 ZINC000298019182 920086755 /nfs/dbraw/zinc/08/67/55/920086755.db2.gz BABQGDXZTIANRQ-MLGOLLRUSA-N 1 2 399.520 3.602 20 30 GHEDLO Cc1noc([C@H]2CCC[N@@H+]2CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)n1 ZINC000298019182 920086763 /nfs/dbraw/zinc/08/67/63/920086763.db2.gz BABQGDXZTIANRQ-MLGOLLRUSA-N 1 2 399.520 3.602 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000298374049 920458199 /nfs/dbraw/zinc/45/81/99/920458199.db2.gz VGKRGXQLXLBYQM-RPVQJOFSSA-N 1 2 379.476 3.996 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000298374049 920458202 /nfs/dbraw/zinc/45/82/02/920458202.db2.gz VGKRGXQLXLBYQM-RPVQJOFSSA-N 1 2 379.476 3.996 20 30 GHEDLO N#CCCN(C(=O)CNc1cccc2c1CN(c1cccc[nH+]1)C2)c1ccccc1 ZINC000367229236 921988610 /nfs/dbraw/zinc/98/86/10/921988610.db2.gz PKRQCNFRJPEWSX-UHFFFAOYSA-N 1 2 397.482 3.961 20 30 GHEDLO N#CC1(c2ccccn2)CC[NH+]([C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 ZINC000369207193 923204822 /nfs/dbraw/zinc/20/48/22/923204822.db2.gz OTIJLOHUAKRWES-SFHVURJKSA-N 1 2 398.869 3.537 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cc(F)cc(Br)c2)c1 ZINC000748814316 923843351 /nfs/dbraw/zinc/84/33/51/923843351.db2.gz ZHLRNWHRWQPJIJ-UHFFFAOYSA-N 1 2 375.241 3.640 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cc(F)cc(Br)c2)c1 ZINC000748814316 923843353 /nfs/dbraw/zinc/84/33/53/923843353.db2.gz ZHLRNWHRWQPJIJ-UHFFFAOYSA-N 1 2 375.241 3.640 20 30 GHEDLO CCOc1c(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c(C)nn1CC(C)C ZINC000370296685 924019420 /nfs/dbraw/zinc/01/94/20/924019420.db2.gz IOGIVKKWTJWJAM-UHFFFAOYSA-N 1 2 381.524 3.699 20 30 GHEDLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cscc1C#N ZINC000410601878 925751581 /nfs/dbraw/zinc/75/15/81/925751581.db2.gz KBBPYZFZWFKGHT-QRWLVFNGSA-N 1 2 382.533 3.696 20 30 GHEDLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cscc1C#N ZINC000410601878 925751585 /nfs/dbraw/zinc/75/15/85/925751585.db2.gz KBBPYZFZWFKGHT-QRWLVFNGSA-N 1 2 382.533 3.696 20 30 GHEDLO C#CCCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000827558082 925806484 /nfs/dbraw/zinc/80/64/84/925806484.db2.gz USVNXAYWOCWIOR-NHCUHLMSSA-N 1 2 384.426 3.542 20 30 GHEDLO C#CCCOc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000827558082 925806492 /nfs/dbraw/zinc/80/64/92/925806492.db2.gz USVNXAYWOCWIOR-NHCUHLMSSA-N 1 2 384.426 3.542 20 30 GHEDLO C#CCCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000827558084 925806717 /nfs/dbraw/zinc/80/67/17/925806717.db2.gz USVNXAYWOCWIOR-RTWAWAEBSA-N 1 2 384.426 3.542 20 30 GHEDLO C#CCCOc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000827558084 925806727 /nfs/dbraw/zinc/80/67/27/925806727.db2.gz USVNXAYWOCWIOR-RTWAWAEBSA-N 1 2 384.426 3.542 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)c(Br)c1 ZINC000411977783 926970718 /nfs/dbraw/zinc/97/07/18/926970718.db2.gz GPKBKYDQQHNITC-FQEVSTJZSA-N 1 2 397.272 3.931 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CC[C@@]3(C2)CC(=O)c2ccccc2O3)c(Br)c1 ZINC000411977783 926970728 /nfs/dbraw/zinc/97/07/28/926970728.db2.gz GPKBKYDQQHNITC-FQEVSTJZSA-N 1 2 397.272 3.931 20 30 GHEDLO Cc1sc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H](O)c2ccccc2)c(C#N)c1C ZINC000750043438 927402092 /nfs/dbraw/zinc/40/20/92/927402092.db2.gz CBZMISKPYVLALQ-QUCCMNQESA-N 1 2 383.517 3.763 20 30 GHEDLO Cc1sc(NC(=O)C[N@H+]2CCCC[C@@H]2[C@@H](O)c2ccccc2)c(C#N)c1C ZINC000750043438 927402100 /nfs/dbraw/zinc/40/21/00/927402100.db2.gz CBZMISKPYVLALQ-QUCCMNQESA-N 1 2 383.517 3.763 20 30 GHEDLO C#CCCNC(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000752173065 928657855 /nfs/dbraw/zinc/65/78/55/928657855.db2.gz JRCGAMMNVSNFRO-NRFANRHFSA-N 1 2 381.907 3.780 20 30 GHEDLO CC(=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000753935038 929601206 /nfs/dbraw/zinc/60/12/06/929601206.db2.gz MHDJGCMNYGFHMN-GASCZTMLSA-N 1 2 383.477 3.907 20 30 GHEDLO C=C(C)CN(CC)C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000544817797 929621424 /nfs/dbraw/zinc/62/14/24/929621424.db2.gz TUHJDLBTPMRTIR-UHFFFAOYSA-N 1 2 379.302 3.555 20 30 GHEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000469756389 930139496 /nfs/dbraw/zinc/13/94/96/930139496.db2.gz LZQFFGZFXWIYED-DQEVTTJGSA-N 1 2 380.891 3.712 20 30 GHEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000469756389 930139497 /nfs/dbraw/zinc/13/94/97/930139497.db2.gz LZQFFGZFXWIYED-DQEVTTJGSA-N 1 2 380.891 3.712 20 30 GHEDLO N#Cc1ccc(C(=O)CNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)cc1 ZINC000557110747 931214604 /nfs/dbraw/zinc/21/46/04/931214604.db2.gz LQJKPRLLUXCUAO-UHFFFAOYSA-N 1 2 397.478 3.560 20 30 GHEDLO NC(=[NH+]OCc1noc(C2CCCCC2)n1)c1ccc(Br)cc1 ZINC000782947608 931371614 /nfs/dbraw/zinc/37/16/14/931371614.db2.gz COCGAIIHFZMYGN-UHFFFAOYSA-N 1 2 379.258 3.717 20 30 GHEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C2(c3cccc(C#N)c3)CC2)CC1 ZINC000557584723 931559211 /nfs/dbraw/zinc/55/92/11/931559211.db2.gz HUZSCVQGDXVGFB-QGZVFWFLSA-N 1 2 377.463 3.634 20 30 GHEDLO CCc1cc(N=NCc2cc(-n3cc[nH+]c3)cs2)nc(-c2ccccn2)n1 ZINC000783841694 931687112 /nfs/dbraw/zinc/68/71/12/931687112.db2.gz KEDFGVNXNSVBAX-UHFFFAOYSA-N 1 2 375.461 3.794 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+]2CC[C@@H](c3cccc(C)c3)C2)c1=S ZINC000784024494 931758164 /nfs/dbraw/zinc/75/81/64/931758164.db2.gz AAHQCNPOZIOSJT-GOSISDBHSA-N 1 2 392.532 3.813 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+]2CC[C@@H](c3cccc(C)c3)C2)c1=S ZINC000784024494 931758168 /nfs/dbraw/zinc/75/81/68/931758168.db2.gz AAHQCNPOZIOSJT-GOSISDBHSA-N 1 2 392.532 3.813 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(C2)CCc2ccccc2O3)c(C#N)c1C ZINC000558466643 932018927 /nfs/dbraw/zinc/01/89/27/932018927.db2.gz PQZKAGVGENFKFJ-NYHFZMIOSA-N 1 2 379.460 3.565 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@]3(C2)CCc2ccccc2O3)c(C#N)c1C ZINC000558466643 932018937 /nfs/dbraw/zinc/01/89/37/932018937.db2.gz PQZKAGVGENFKFJ-NYHFZMIOSA-N 1 2 379.460 3.565 20 30 GHEDLO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H](C)c1csnn1 ZINC000926590548 932238686 /nfs/dbraw/zinc/23/86/86/932238686.db2.gz SDMVFFJYUXGDLQ-KBPBESRZSA-N 1 2 379.530 3.508 20 30 GHEDLO C=C(Br)CNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000797438081 932284620 /nfs/dbraw/zinc/28/46/20/932284620.db2.gz BYMNGNQULBWJQN-UHFFFAOYSA-N 1 2 397.704 3.657 20 30 GHEDLO C[C@@H]([NH2+]C[C@@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1)c1cccc(C#N)c1O ZINC000926996457 932375477 /nfs/dbraw/zinc/37/54/77/932375477.db2.gz VFDQPKXNEZNDIY-JIHWHLMZSA-N 1 2 386.492 3.584 20 30 GHEDLO C=CCc1cc(C(=O)N2CCC(Nc3cccc[nH+]3)CC2)cc(OC)c1OC ZINC000927099531 932411814 /nfs/dbraw/zinc/41/18/14/932411814.db2.gz OQLZOAFMMVTOGS-UHFFFAOYSA-N 1 2 381.476 3.544 20 30 GHEDLO Cc1cc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)ccc1Br ZINC000798274182 932588012 /nfs/dbraw/zinc/58/80/12/932588012.db2.gz WGQGWAOODNARBO-GDBMZVCRSA-N 1 2 394.313 3.606 20 30 GHEDLO C#Cc1cncc(C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000798289155 932595178 /nfs/dbraw/zinc/59/51/78/932595178.db2.gz HHLZHOYUIBMRGG-UHFFFAOYSA-N 1 2 392.462 3.905 20 30 GHEDLO CC(=[NH+]Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(N)c([N+](=O)[O-])c1 ZINC000799113879 932880510 /nfs/dbraw/zinc/88/05/10/932880510.db2.gz XTOQVKAINKASKQ-UHFFFAOYSA-N 1 2 394.185 3.684 20 30 GHEDLO COC(=O)c1cccc(C[NH2+][C@](C)(CO)c2cc(Cl)cc(Cl)c2)c1C#N ZINC000560314862 933200073 /nfs/dbraw/zinc/20/00/73/933200073.db2.gz MZBBWIFXMHZSCV-LJQANCHMSA-N 1 2 393.270 3.649 20 30 GHEDLO CCC(CC)[C@H]1C[C@@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])CCO1 ZINC000777872609 933799494 /nfs/dbraw/zinc/79/94/94/933799494.db2.gz XSGYTUHNVOWNFR-OXJNMPFZSA-N 1 2 396.535 3.630 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@H](Cc2nccs2)C1 ZINC001121510535 934679347 /nfs/dbraw/zinc/67/93/47/934679347.db2.gz YDMZBEFANXQIAL-DLBZAZTESA-N 1 2 386.569 3.537 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@H](Cc2nccs2)C1 ZINC001121510535 934679351 /nfs/dbraw/zinc/67/93/51/934679351.db2.gz YDMZBEFANXQIAL-DLBZAZTESA-N 1 2 386.569 3.537 20 30 GHEDLO CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)NCc2ccc(C#N)c(F)c2)C1 ZINC001122023348 934803730 /nfs/dbraw/zinc/80/37/30/934803730.db2.gz MOUGKCRKEPGFAY-KRWDZBQOSA-N 1 2 383.471 3.738 20 30 GHEDLO CC(C)C[C@H](c1nnc(N(C)C[C@H](C)C#N)n1Cc1ccccc1)n1cc[nH+]c1 ZINC001122064326 934812010 /nfs/dbraw/zinc/81/20/10/934812010.db2.gz WHWKESUARUORLR-UYAOXDASSA-N 1 2 391.523 3.754 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(c2ccn(C)n2)CC1 ZINC000932144252 934833683 /nfs/dbraw/zinc/83/36/83/934833683.db2.gz NRRGYWLTSKEBJJ-INIZCTEOSA-N 1 2 397.548 3.632 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1C[C@@H]2COC[C@]2(C)C1 ZINC001122440976 934870230 /nfs/dbraw/zinc/87/02/30/934870230.db2.gz NELGPKXSIFQKPQ-NOXFTYBFSA-N 1 2 395.551 3.520 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1C[C@@H]2COC[C@]2(C)C1 ZINC001122440976 934870231 /nfs/dbraw/zinc/87/02/31/934870231.db2.gz NELGPKXSIFQKPQ-NOXFTYBFSA-N 1 2 395.551 3.520 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N(C)Cc1c(C)noc1C ZINC001122444404 934871687 /nfs/dbraw/zinc/87/16/87/934871687.db2.gz BEWQIDCTHKWVCB-LJQANCHMSA-N 1 2 397.527 3.927 20 30 GHEDLO C=C(C)CN(CC)c1nnc([C@@H](CC(C)C)n2cc[nH+]c2)n1C[C@H]1CCOC1 ZINC001123097560 935077710 /nfs/dbraw/zinc/07/77/10/935077710.db2.gz CGZQMKXSEOMWEE-RTBURBONSA-N 1 2 386.544 3.549 20 30 GHEDLO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3F)CC2)cc1 ZINC001137941408 935883299 /nfs/dbraw/zinc/88/32/99/935883299.db2.gz OPABVESZKVLFNK-UHFFFAOYSA-N 1 2 388.393 3.762 20 30 GHEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(NCCOc2ccc(C#N)cc2)[nH+]1 ZINC001171485185 1014964836 /nfs/dbraw/zinc/96/48/36/1014964836.db2.gz FIGOIVYCRPAYMA-ZGWHGSPESA-N 1 2 384.505 3.634 20 30 GHEDLO C[C@@]12C[NH+]([C@H](C(=O)[O-])c3ccc(C#N)cc3)C[C@]1(C)C[N@@H+](Cc1ccccc1)C2 ZINC001594088965 998028430 /nfs/dbraw/zinc/02/84/30/998028430.db2.gz UNNXUOMDXLXDMK-OEMFJLHTSA-N 1 2 389.499 3.528 20 30 GHEDLO C[C@@]12C[NH+]([C@H](C(=O)[O-])c3ccc(C#N)cc3)C[C@]1(C)C[N@H+](Cc1ccccc1)C2 ZINC001594088965 998028439 /nfs/dbraw/zinc/02/84/39/998028439.db2.gz UNNXUOMDXLXDMK-OEMFJLHTSA-N 1 2 389.499 3.528 20 30 GHEDLO C[C@]12C[NH+](Cc3ccccc3)C[C@@]1(C)C[N@@H+]([C@H](C(=O)[O-])c1ccc(C#N)cc1)C2 ZINC001594088965 998028457 /nfs/dbraw/zinc/02/84/57/998028457.db2.gz UNNXUOMDXLXDMK-OEMFJLHTSA-N 1 2 389.499 3.528 20 30 GHEDLO C[C@]12C[NH+](Cc3ccccc3)C[C@@]1(C)C[N@H+]([C@H](C(=O)[O-])c1ccc(C#N)cc1)C2 ZINC001594088965 998028468 /nfs/dbraw/zinc/02/84/68/998028468.db2.gz UNNXUOMDXLXDMK-OEMFJLHTSA-N 1 2 389.499 3.528 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2c(O)cc(Br)cc2F)C1 ZINC001227587040 1032474837 /nfs/dbraw/zinc/47/48/37/1032474837.db2.gz FFLZPDQBPJDOCV-OAHLLOKOSA-N 1 2 391.240 3.819 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2c(O)cc(Br)cc2F)C1 ZINC001227587040 1032474841 /nfs/dbraw/zinc/47/48/41/1032474841.db2.gz FFLZPDQBPJDOCV-OAHLLOKOSA-N 1 2 391.240 3.819 20 30 GHEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc4cc(Br)ccc4c3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227606678 1032482968 /nfs/dbraw/zinc/48/29/68/1032482968.db2.gz MVWQGEGGZBSNGU-YSNABGDFSA-N 1 2 378.241 3.733 20 30 GHEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc4cc(Br)ccc4c3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227606678 1032482973 /nfs/dbraw/zinc/48/29/73/1032482973.db2.gz MVWQGEGGZBSNGU-YSNABGDFSA-N 1 2 378.241 3.733 20 30 GHEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N(C)Cc2cc(C#N)cs2)C[C@H](C)O1 ZINC000929768073 1017738196 /nfs/dbraw/zinc/73/81/96/1017738196.db2.gz HGJMINVDBPZAEA-HOTGVXAUSA-N 1 2 398.532 3.893 20 30 GHEDLO N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000930179621 1017795477 /nfs/dbraw/zinc/79/54/77/1017795477.db2.gz FSKBPRCBISDCJC-UHFFFAOYSA-N 1 2 387.390 3.663 20 30 GHEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2ccc3occ(Br)c3c2)C1=O ZINC001276459220 1032764423 /nfs/dbraw/zinc/76/44/23/1032764423.db2.gz TZSPESGEORRHTN-IBGZPJMESA-N 1 2 389.293 3.948 20 30 GHEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2ccc3occ(Br)c3c2)C1=O ZINC001276459220 1032764445 /nfs/dbraw/zinc/76/44/45/1032764445.db2.gz TZSPESGEORRHTN-IBGZPJMESA-N 1 2 389.293 3.948 20 30 GHEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)Nc3ccc(CCC#N)cc3)CC2)cc1 ZINC000932575930 1018478662 /nfs/dbraw/zinc/47/86/62/1018478662.db2.gz MBKMHZLZDZRGCE-UHFFFAOYSA-N 1 2 391.519 3.999 20 30 GHEDLO Cc1[nH]c(CN2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)[nH+]c1C ZINC000932945233 1018776746 /nfs/dbraw/zinc/77/67/46/1018776746.db2.gz TWIFCDNFWPZCMC-RKDXNWHRSA-N 1 2 377.279 3.629 20 30 GHEDLO Cc1cc(-c2noc(C[N@H+](C)CCOCc3ccc(C#N)cc3)n2)ccc1F ZINC000564156191 1019018714 /nfs/dbraw/zinc/01/87/14/1019018714.db2.gz GZQGTUGLBRCIOO-UHFFFAOYSA-N 1 2 380.423 3.704 20 30 GHEDLO Cc1cc(-c2noc(C[N@@H+](C)CCOCc3ccc(C#N)cc3)n2)ccc1F ZINC000564156191 1019018725 /nfs/dbraw/zinc/01/87/25/1019018725.db2.gz GZQGTUGLBRCIOO-UHFFFAOYSA-N 1 2 380.423 3.704 20 30 GHEDLO C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(C(F)(F)F)cnc1Cl)CC2 ZINC001277274908 1032803836 /nfs/dbraw/zinc/80/38/36/1032803836.db2.gz RNKXOVYJGWURDO-AWEZNQCLSA-N 1 2 387.833 3.658 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1cccc(OC(F)(F)F)c1 ZINC001204429275 1032861618 /nfs/dbraw/zinc/86/16/18/1032861618.db2.gz DIGJECJGLAGCEW-KRWDZBQOSA-N 1 2 381.398 3.621 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1cccc(OC(F)(F)F)c1 ZINC001204429275 1032861653 /nfs/dbraw/zinc/86/16/53/1032861653.db2.gz DIGJECJGLAGCEW-KRWDZBQOSA-N 1 2 381.398 3.621 20 30 GHEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC001276464761 1032872617 /nfs/dbraw/zinc/87/26/17/1032872617.db2.gz MGGNZPUHBVGIOT-SFHVURJKSA-N 1 2 384.829 3.949 20 30 GHEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC001276464761 1032872629 /nfs/dbraw/zinc/87/26/29/1032872629.db2.gz MGGNZPUHBVGIOT-SFHVURJKSA-N 1 2 384.829 3.949 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2ccnc(Br)c2F)C1 ZINC001228539563 1032977135 /nfs/dbraw/zinc/97/71/35/1032977135.db2.gz CXMVMRYZMKNRBH-AWEZNQCLSA-N 1 2 376.229 3.508 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2ccnc(Br)c2F)C1 ZINC001228539563 1032977141 /nfs/dbraw/zinc/97/71/41/1032977141.db2.gz CXMVMRYZMKNRBH-AWEZNQCLSA-N 1 2 376.229 3.508 20 30 GHEDLO C[C@@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1cc2c(cc1Br)OCCO2 ZINC000902772825 1021535637 /nfs/dbraw/zinc/53/56/37/1021535637.db2.gz IXGBCLJOMUCGTD-NEPJUHHUSA-N 1 2 388.265 3.899 20 30 GHEDLO CC(C)(C)OC(=O)n1cc(C[N@@H+]2CCCC3(C2)OCCO3)c2cc(C#N)ccc21 ZINC001140439503 1021711454 /nfs/dbraw/zinc/71/14/54/1021711454.db2.gz GZRFLNOCZRNVIV-UHFFFAOYSA-N 1 2 397.475 3.635 20 30 GHEDLO CC(C)(C)OC(=O)n1cc(C[N@H+]2CCCC3(C2)OCCO3)c2cc(C#N)ccc21 ZINC001140439503 1021711470 /nfs/dbraw/zinc/71/14/70/1021711470.db2.gz GZRFLNOCZRNVIV-UHFFFAOYSA-N 1 2 397.475 3.635 20 30 GHEDLO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3cc(Cl)ncc3F)CC2)C1 ZINC001140603600 1022051037 /nfs/dbraw/zinc/05/10/37/1022051037.db2.gz URUXRIXFHTWQFE-UHFFFAOYSA-N 1 2 381.879 3.875 20 30 GHEDLO COCCOc1ccccc1N1CC[NH+](Cc2cc(C#N)ccc2Cl)CC1 ZINC001140603650 1022051399 /nfs/dbraw/zinc/05/13/99/1022051399.db2.gz XAXRYQWQYRJGOK-UHFFFAOYSA-N 1 2 385.895 3.559 20 30 GHEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000755307876 1023184306 /nfs/dbraw/zinc/18/43/06/1023184306.db2.gz MYUZDGJYMCSGJN-NQIIRXRSSA-N 1 2 390.487 3.505 20 30 GHEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000755307876 1023184313 /nfs/dbraw/zinc/18/43/13/1023184313.db2.gz MYUZDGJYMCSGJN-NQIIRXRSSA-N 1 2 390.487 3.505 20 30 GHEDLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+](Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141106574 1023514318 /nfs/dbraw/zinc/51/43/18/1023514318.db2.gz CLXDCZGTIUOIPP-LLVKDONJSA-N 1 2 384.933 3.544 20 30 GHEDLO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+](Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141106574 1023514327 /nfs/dbraw/zinc/51/43/27/1023514327.db2.gz CLXDCZGTIUOIPP-LLVKDONJSA-N 1 2 384.933 3.544 20 30 GHEDLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1sc(N)c(C#N)c1Cl ZINC001141113661 1023530274 /nfs/dbraw/zinc/53/02/74/1023530274.db2.gz NUONRPHNZQWFNF-JQWIXIFHSA-N 1 2 384.933 3.733 20 30 GHEDLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1sc(N)c(C#N)c1Cl ZINC001141113661 1023530285 /nfs/dbraw/zinc/53/02/85/1023530285.db2.gz NUONRPHNZQWFNF-JQWIXIFHSA-N 1 2 384.933 3.733 20 30 GHEDLO Cc1nc(NCc2cccc(C(=O)Nc3ccccc3O[C@@H](C)C#N)c2)cc[nH+]1 ZINC000756186258 1023550226 /nfs/dbraw/zinc/55/02/26/1023550226.db2.gz JJCKDPDPCKNYNE-HNNXBMFYSA-N 1 2 387.443 3.940 20 30 GHEDLO C#CC[C@@H](NC(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1)c1ccccc1 ZINC000757062987 1023924562 /nfs/dbraw/zinc/92/45/62/1023924562.db2.gz WEYJBHMZRQSKAE-JOCHJYFZSA-N 1 2 391.515 3.595 20 30 GHEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2c[nH]c3ccc(Br)cc23)C1 ZINC001138323277 1024663062 /nfs/dbraw/zinc/66/30/62/1024663062.db2.gz PCYXIFRBUSDCJM-OAHLLOKOSA-N 1 2 392.297 3.807 20 30 GHEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2c[nH]c3ccc(Br)cc23)C1 ZINC001138323277 1024663068 /nfs/dbraw/zinc/66/30/68/1024663068.db2.gz PCYXIFRBUSDCJM-OAHLLOKOSA-N 1 2 392.297 3.807 20 30 GHEDLO C#CCOc1ccc(C[NH+]2CCN([C@@H](C)c3ccc(F)cc3)CC2)cc1OC ZINC001138347015 1024707767 /nfs/dbraw/zinc/70/77/67/1024707767.db2.gz CZFOWDQNUXBNON-SFHVURJKSA-N 1 2 382.479 3.725 20 30 GHEDLO C#CCOc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)cc1OC ZINC001138348914 1024711377 /nfs/dbraw/zinc/71/13/77/1024711377.db2.gz PVOZJGWTNVZPRU-UHFFFAOYSA-N 1 2 388.508 3.539 20 30 GHEDLO C#CCOc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)cc1OC ZINC001138348914 1024711386 /nfs/dbraw/zinc/71/13/86/1024711386.db2.gz PVOZJGWTNVZPRU-UHFFFAOYSA-N 1 2 388.508 3.539 20 30 GHEDLO Cc1cc(F)ccc1[C@@H]1CCC[N@@H+]1Cc1nc2ccccc2c(=O)n1CC#N ZINC000832523448 1025642999 /nfs/dbraw/zinc/64/29/99/1025642999.db2.gz GTBJHLKEUOJQLN-FQEVSTJZSA-N 1 2 376.435 3.705 20 30 GHEDLO Cc1cc(F)ccc1[C@@H]1CCC[N@H+]1Cc1nc2ccccc2c(=O)n1CC#N ZINC000832523448 1025643006 /nfs/dbraw/zinc/64/30/06/1025643006.db2.gz GTBJHLKEUOJQLN-FQEVSTJZSA-N 1 2 376.435 3.705 20 30 GHEDLO C=CCOc1ccccc1C[N@@H+]1Cc2c(cnn2CC2CC2)[C@@H](COCC)C1 ZINC001139028162 1025795025 /nfs/dbraw/zinc/79/50/25/1025795025.db2.gz OJECBRWALIUSLK-HXUWFJFHSA-N 1 2 381.520 3.994 20 30 GHEDLO C=CCOc1ccccc1C[N@H+]1Cc2c(cnn2CC2CC2)[C@@H](COCC)C1 ZINC001139028162 1025795037 /nfs/dbraw/zinc/79/50/37/1025795037.db2.gz OJECBRWALIUSLK-HXUWFJFHSA-N 1 2 381.520 3.994 20 30 GHEDLO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1[nH]c(CCCC)nc1Cl)C2 ZINC001139178619 1026008864 /nfs/dbraw/zinc/00/88/64/1026008864.db2.gz XLPKMSROAKAORV-HXUWFJFHSA-N 1 2 378.948 3.939 20 30 GHEDLO C=CCN1C(=O)CCC[C@]12CCC[N@H+](Cc1[nH]c(CCCC)nc1Cl)C2 ZINC001139178619 1026008885 /nfs/dbraw/zinc/00/88/85/1026008885.db2.gz XLPKMSROAKAORV-HXUWFJFHSA-N 1 2 378.948 3.939 20 30 GHEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cccn2Cc2cnc(Cl)s2)C1 ZINC001139370372 1026244581 /nfs/dbraw/zinc/24/45/81/1026244581.db2.gz WTXVFIHNPLMVNP-CQSZACIVSA-N 1 2 394.928 3.523 20 30 GHEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cccn2Cc2cnc(Cl)s2)C1 ZINC001139370372 1026244591 /nfs/dbraw/zinc/24/45/91/1026244591.db2.gz WTXVFIHNPLMVNP-CQSZACIVSA-N 1 2 394.928 3.523 20 30 GHEDLO N#Cc1ccnc(-c2ccc(C[N@@H+]3CCn4cnc(COCC5CC5)c4C3)cc2)c1 ZINC001139404199 1026276272 /nfs/dbraw/zinc/27/62/72/1026276272.db2.gz VYVAKBNCNISOQK-UHFFFAOYSA-N 1 2 399.498 3.759 20 30 GHEDLO N#Cc1ccnc(-c2ccc(C[N@H+]3CCn4cnc(COCC5CC5)c4C3)cc2)c1 ZINC001139404199 1026276283 /nfs/dbraw/zinc/27/62/83/1026276283.db2.gz VYVAKBNCNISOQK-UHFFFAOYSA-N 1 2 399.498 3.759 20 30 GHEDLO Cc1cc(N2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)n(-c2ccccc2)n1 ZINC001139529879 1026388490 /nfs/dbraw/zinc/38/84/90/1026388490.db2.gz GARJOPMVTNQHKO-UHFFFAOYSA-N 1 2 375.451 3.514 20 30 GHEDLO C[Si](C)(C)C#Cc1cccnc1N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001165692224 1026798218 /nfs/dbraw/zinc/79/82/18/1026798218.db2.gz XHNRGNUSEIVLMJ-LJQANCHMSA-N 1 2 394.595 3.570 20 30 GHEDLO N#C[C@H]1C[NH2+]CCN1Cc1ccc(OCc2ccccc2)cc1C(F)(F)F ZINC001210197138 1027382189 /nfs/dbraw/zinc/38/21/89/1027382189.db2.gz XAUYZRBLRZNDED-KRWDZBQOSA-N 1 2 375.394 3.582 20 30 GHEDLO Cc1cc(Nc2ccc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)[nH+]c2)cnc1C#N ZINC001210202909 1027384262 /nfs/dbraw/zinc/38/42/62/1027384262.db2.gz WUFGUPRNVITXDZ-MRXNPFEDSA-N 1 2 394.479 3.504 20 30 GHEDLO CSc1nc(C[N@@H+]2CC[C@]23CCCN(C(=O)OC(C)(C)C)C3)ccc1C#N ZINC001141931672 1027690033 /nfs/dbraw/zinc/69/00/33/1027690033.db2.gz HZTZOUNDIPAUEE-FQEVSTJZSA-N 1 2 388.537 3.651 20 30 GHEDLO CSc1nc(C[N@H+]2CC[C@]23CCCN(C(=O)OC(C)(C)C)C3)ccc1C#N ZINC001141931672 1027690040 /nfs/dbraw/zinc/69/00/40/1027690040.db2.gz HZTZOUNDIPAUEE-FQEVSTJZSA-N 1 2 388.537 3.651 20 30 GHEDLO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C[NH2+]CC1(C#N)CCOCC1 ZINC001204027300 1027818258 /nfs/dbraw/zinc/81/82/58/1027818258.db2.gz DRWTVYWWGDKBBK-UHFFFAOYSA-N 1 2 379.291 3.898 20 30 GHEDLO CC(C)(C)OC(=O)n1cc(C[NH+]2CCC(Oc3ccccc3C#N)CC2)cn1 ZINC001142801193 1029486371 /nfs/dbraw/zinc/48/63/71/1029486371.db2.gz DMLGPMIYXOQNIK-UHFFFAOYSA-N 1 2 382.464 3.581 20 30 GHEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@]3(C[C@H](OCc4ccncc4)CO3)C2)c1F ZINC001143169210 1029880062 /nfs/dbraw/zinc/88/00/62/1029880062.db2.gz BYNNHDXOKLHIFC-PGRDOPGGSA-N 1 2 399.441 3.572 20 30 GHEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@]3(C[C@H](OCc4ccncc4)CO3)C2)c1F ZINC001143169210 1029880065 /nfs/dbraw/zinc/88/00/65/1029880065.db2.gz BYNNHDXOKLHIFC-PGRDOPGGSA-N 1 2 399.441 3.572 20 30 GHEDLO COc1ccc(F)c(C(F)(F)F)c1C[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001143297822 1030001389 /nfs/dbraw/zinc/00/13/89/1030001389.db2.gz BUVHCPOXBDQFOM-XPTSAGLGSA-N 1 2 389.311 3.988 20 30 GHEDLO COc1ccc(F)c(C(F)(F)F)c1C[N@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001143297822 1030001406 /nfs/dbraw/zinc/00/14/06/1030001406.db2.gz BUVHCPOXBDQFOM-XPTSAGLGSA-N 1 2 389.311 3.988 20 30 GHEDLO N#Cc1cc(-c2nc(-c3ccc([C@H]4CCc5c[nH+]cn54)c(F)c3)no2)ccc1O ZINC001216969637 1030041355 /nfs/dbraw/zinc/04/13/55/1030041355.db2.gz KAYZOFDGNUPGBW-GOSISDBHSA-N 1 2 387.374 3.852 20 30 GHEDLO N#Cc1ccccc1OCCO[C@@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC001222424787 1030122605 /nfs/dbraw/zinc/12/26/05/1030122605.db2.gz XZINPFURZRZJFF-OAHLLOKOSA-N 1 2 377.897 3.728 20 30 GHEDLO N#Cc1ccccc1OCCO[C@@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC001222424787 1030122620 /nfs/dbraw/zinc/12/26/20/1030122620.db2.gz XZINPFURZRZJFF-OAHLLOKOSA-N 1 2 377.897 3.728 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Br)cnc1C ZINC001276852201 1030361978 /nfs/dbraw/zinc/36/19/78/1030361978.db2.gz PGLGAEPCNSANAH-LJQANCHMSA-N 1 2 392.341 3.686 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(Br)cnc1C ZINC001276852201 1030361998 /nfs/dbraw/zinc/36/19/98/1030361998.db2.gz PGLGAEPCNSANAH-LJQANCHMSA-N 1 2 392.341 3.686 20 30 GHEDLO COc1ccc(OC)c(/C(=N/O)O[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)c1 ZINC001223892056 1030795034 /nfs/dbraw/zinc/79/50/34/1030795034.db2.gz ZZCVPEZSFNLEIE-JEBJBBSMSA-N 1 2 388.439 3.660 20 30 GHEDLO COc1ccc(OC)c(/C(=N/O)O[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)c1 ZINC001223892056 1030795053 /nfs/dbraw/zinc/79/50/53/1030795053.db2.gz ZZCVPEZSFNLEIE-JEBJBBSMSA-N 1 2 388.439 3.660 20 30 GHEDLO N#Cc1ccc(OCCO[C@@H]2CCC[N@@H+](Cc3cnc(Cl)s3)C2)cc1 ZINC001224287513 1030956197 /nfs/dbraw/zinc/95/61/97/1030956197.db2.gz YBTZDOVNWDFBMC-MRXNPFEDSA-N 1 2 377.897 3.728 20 30 GHEDLO N#Cc1ccc(OCCO[C@@H]2CCC[N@H+](Cc3cnc(Cl)s3)C2)cc1 ZINC001224287513 1030956203 /nfs/dbraw/zinc/95/62/03/1030956203.db2.gz YBTZDOVNWDFBMC-MRXNPFEDSA-N 1 2 377.897 3.728 20 30 GHEDLO COc1cccc(CC#N)c1O[C@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC001225841686 1031644351 /nfs/dbraw/zinc/64/43/51/1031644351.db2.gz ILKKEFWBVCKQFS-AWEZNQCLSA-N 1 2 377.897 3.915 20 30 GHEDLO COc1cccc(CC#N)c1O[C@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC001225841686 1031644358 /nfs/dbraw/zinc/64/43/58/1031644358.db2.gz ILKKEFWBVCKQFS-AWEZNQCLSA-N 1 2 377.897 3.915 20 30 GHEDLO N#Cc1ccc(C2(C(=O)N3CC[NH2+][C@H](c4ccc(F)cc4)C3)CCCC2)cc1 ZINC001154129104 1031942234 /nfs/dbraw/zinc/94/22/34/1031942234.db2.gz DBXCHLHJBAVAPA-NRFANRHFSA-N 1 2 377.463 3.682 20 30 GHEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c(Cl)cc(OC)cc1OC ZINC001277137600 1032011043 /nfs/dbraw/zinc/01/10/43/1032011043.db2.gz WWUAGCYSXFJIOE-HXUWFJFHSA-N 1 2 378.900 3.500 20 30 GHEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c(Cl)cc(OC)cc1OC ZINC001277137600 1032011054 /nfs/dbraw/zinc/01/10/54/1032011054.db2.gz WWUAGCYSXFJIOE-HXUWFJFHSA-N 1 2 378.900 3.500 20 30 GHEDLO C=C[C@@H](CC(=O)OC(C)(C)C)Oc1ncnc2c1CC[N@H+](Cc1ccccc1)C2 ZINC001226561904 1032015421 /nfs/dbraw/zinc/01/54/21/1032015421.db2.gz ZNYZETJHOJTSFJ-SFHVURJKSA-N 1 2 395.503 3.700 20 30 GHEDLO C=C[C@@H](CC(=O)OC(C)(C)C)Oc1ncnc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001226561904 1032015430 /nfs/dbraw/zinc/01/54/30/1032015430.db2.gz ZNYZETJHOJTSFJ-SFHVURJKSA-N 1 2 395.503 3.700 20 30 GHEDLO C[C@@H](Oc1nc(=O)[nH]c2c1CC[N@H+](Cc1ccccc1)C2)c1ccccc1C#N ZINC001230186356 1033936290 /nfs/dbraw/zinc/93/62/90/1033936290.db2.gz MPWIKUQHBKARKV-MRXNPFEDSA-N 1 2 386.455 3.752 20 30 GHEDLO C[C@@H](Oc1nc(=O)[nH]c2c1CC[N@@H+](Cc1ccccc1)C2)c1ccccc1C#N ZINC001230186356 1033936300 /nfs/dbraw/zinc/93/63/00/1033936300.db2.gz MPWIKUQHBKARKV-MRXNPFEDSA-N 1 2 386.455 3.752 20 30 GHEDLO C[C@H](Oc1nc(=O)[nH]c2c1CC[N@H+](Cc1ccccc1)C2)c1ccccc1C#N ZINC001230186355 1033936487 /nfs/dbraw/zinc/93/64/87/1033936487.db2.gz MPWIKUQHBKARKV-INIZCTEOSA-N 1 2 386.455 3.752 20 30 GHEDLO C[C@H](Oc1nc(=O)[nH]c2c1CC[N@@H+](Cc1ccccc1)C2)c1ccccc1C#N ZINC001230186355 1033936494 /nfs/dbraw/zinc/93/64/94/1033936494.db2.gz MPWIKUQHBKARKV-INIZCTEOSA-N 1 2 386.455 3.752 20 30 GHEDLO C=CCC[C@H](NC(=O)N[C@H]1Cc2c[nH+]cn2C1)c1ccc(C(F)(F)F)cc1 ZINC001230693848 1034184161 /nfs/dbraw/zinc/18/41/61/1034184161.db2.gz MLJLRRMWKRUTKU-RDJZCZTQSA-N 1 2 378.398 3.833 20 30 GHEDLO CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)N(C)c1cc(CC#N)cc[nH+]1 ZINC001159206714 1034482337 /nfs/dbraw/zinc/48/23/37/1034482337.db2.gz UFPDJERSHNZZES-VPWXQRGCSA-N 1 2 375.513 3.745 20 30 GHEDLO Cc1ccc(CC#N)c(N[C@H]2N=C(c3ccccc3)c3ccccc3NC2=O)[nH+]1 ZINC001159533580 1034647502 /nfs/dbraw/zinc/64/75/02/1034647502.db2.gz OTZYOTDQLVWBAJ-JOCHJYFZSA-N 1 2 381.439 3.684 20 30 GHEDLO C=C(C)CN1C[C@]2(CC[N@H+](Cc3cc(Cl)c(F)c(Cl)c3)C2)OCC1=O ZINC001277536179 1034692931 /nfs/dbraw/zinc/69/29/31/1034692931.db2.gz AWIQKCNQULFGNQ-GOSISDBHSA-N 1 2 387.282 3.512 20 30 GHEDLO C=C(C)CN1C[C@]2(CC[N@@H+](Cc3cc(Cl)c(F)c(Cl)c3)C2)OCC1=O ZINC001277536179 1034692937 /nfs/dbraw/zinc/69/29/37/1034692937.db2.gz AWIQKCNQULFGNQ-GOSISDBHSA-N 1 2 387.282 3.512 20 30 GHEDLO COc1cc(C#N)ccc1C[N@H+]1Cc2ncn(C)c2[C@@H](COCC2CCCC2)C1 ZINC001231618279 1034776108 /nfs/dbraw/zinc/77/61/08/1034776108.db2.gz FNEHFSLCDAGNRX-HXUWFJFHSA-N 1 2 394.519 3.607 20 30 GHEDLO COc1cc(C#N)ccc1C[N@@H+]1Cc2ncn(C)c2[C@@H](COCC2CCCC2)C1 ZINC001231618279 1034776122 /nfs/dbraw/zinc/77/61/22/1034776122.db2.gz FNEHFSLCDAGNRX-HXUWFJFHSA-N 1 2 394.519 3.607 20 30 GHEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2c(Br)ccc(C)c2Cl)C1=O ZINC001276592376 1035045981 /nfs/dbraw/zinc/04/59/81/1035045981.db2.gz QUXNTGIYBPJZKZ-GOSISDBHSA-N 1 2 395.728 3.611 20 30 GHEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2c(Br)ccc(C)c2Cl)C1=O ZINC001276592376 1035045988 /nfs/dbraw/zinc/04/59/88/1035045988.db2.gz QUXNTGIYBPJZKZ-GOSISDBHSA-N 1 2 395.728 3.611 20 30 GHEDLO CN(C)/C=[NH+]/c1ccc(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc1C#N ZINC001241527015 1035607965 /nfs/dbraw/zinc/60/79/65/1035607965.db2.gz LZOALCNWKBNKKQ-OEAKJJBVSA-N 1 2 392.484 3.971 20 30 GHEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2cc(OC(C)C)cc(OC(C)C)c2)CC1 ZINC001248659917 1036034537 /nfs/dbraw/zinc/03/45/37/1036034537.db2.gz BINMWMWWALZGRP-UHFFFAOYSA-N 1 2 388.508 3.930 20 30 GHEDLO N#Cc1ccccc1N1CC[NH+](Cc2ccc(OCc3ccccc3)nc2)CC1 ZINC001232354825 1038134154 /nfs/dbraw/zinc/13/41/54/1038134154.db2.gz CFQPYCCZEOUJCC-UHFFFAOYSA-N 1 2 384.483 3.854 20 30 GHEDLO N#Cc1ccc(O)c(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3F)CC2)c1 ZINC001232678756 1038476363 /nfs/dbraw/zinc/47/63/63/1038476363.db2.gz OVUNRZHQXJBMPR-UHFFFAOYSA-N 1 2 379.357 3.744 20 30 GHEDLO O[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(C(F)(F)F)nc2Cl)CC[C@H]1F ZINC001232791720 1038558866 /nfs/dbraw/zinc/55/88/66/1038558866.db2.gz WPPROKGXPFVDCK-BXKDBHETSA-N 1 2 394.718 3.981 20 30 GHEDLO O[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C(F)(F)F)nc2Cl)CC[C@H]1F ZINC001232791720 1038558875 /nfs/dbraw/zinc/55/88/75/1038558875.db2.gz WPPROKGXPFVDCK-BXKDBHETSA-N 1 2 394.718 3.981 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1ccc3ncoc3c1)CC2 ZINC001232938986 1038718131 /nfs/dbraw/zinc/71/81/31/1038718131.db2.gz CDJVWYCJWYZKCY-UHFFFAOYSA-N 1 2 378.476 3.695 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1ccc3ncoc3c1)CC2 ZINC001232938986 1038718139 /nfs/dbraw/zinc/71/81/39/1038718139.db2.gz CDJVWYCJWYZKCY-UHFFFAOYSA-N 1 2 378.476 3.695 20 30 GHEDLO Cc1ccc(C[N@@H+]2CCO[C@]3(CCC[C@@H]3COCc3ccccn3)C2)c(C#N)c1 ZINC001232965200 1038738739 /nfs/dbraw/zinc/73/87/39/1038738739.db2.gz QGURRJDHWOFYTF-ISKFKSNPSA-N 1 2 391.515 3.850 20 30 GHEDLO Cc1ccc(C[N@H+]2CCO[C@]3(CCC[C@@H]3COCc3ccccn3)C2)c(C#N)c1 ZINC001232965200 1038738741 /nfs/dbraw/zinc/73/87/41/1038738741.db2.gz QGURRJDHWOFYTF-ISKFKSNPSA-N 1 2 391.515 3.850 20 30 GHEDLO Cc1cc(C#N)ccc1C[N@@H+]1Cc2ncn(C)c2[C@@H](COCC2CCCC2)C1 ZINC001233079483 1038844288 /nfs/dbraw/zinc/84/42/88/1038844288.db2.gz FDNGTTRVNSWZQP-OAQYLSRUSA-N 1 2 378.520 3.906 20 30 GHEDLO Cc1cc(C#N)ccc1C[N@H+]1Cc2ncn(C)c2[C@@H](COCC2CCCC2)C1 ZINC001233079483 1038844318 /nfs/dbraw/zinc/84/43/18/1038844318.db2.gz FDNGTTRVNSWZQP-OAQYLSRUSA-N 1 2 378.520 3.906 20 30 GHEDLO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cn4cccc(Cl)c4n3)C2)C1 ZINC001233420170 1039282167 /nfs/dbraw/zinc/28/21/67/1039282167.db2.gz BVNZCXYLQJRLQS-FQEVSTJZSA-N 1 2 388.899 3.598 20 30 GHEDLO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](Cc3cn4cccc(Cl)c4n3)C2)C1 ZINC001233420170 1039282174 /nfs/dbraw/zinc/28/21/74/1039282174.db2.gz BVNZCXYLQJRLQS-FQEVSTJZSA-N 1 2 388.899 3.598 20 30 GHEDLO CN(C(=O)OC(C)(C)C)c1ncc(C[N@@H+]2CCc3cc(C#N)ccc3C2)s1 ZINC001234350487 1039981464 /nfs/dbraw/zinc/98/14/64/1039981464.db2.gz YEKATJTZQURSKF-UHFFFAOYSA-N 1 2 384.505 3.944 20 30 GHEDLO CN(C(=O)OC(C)(C)C)c1ncc(C[N@H+]2CCc3cc(C#N)ccc3C2)s1 ZINC001234350487 1039981468 /nfs/dbraw/zinc/98/14/68/1039981468.db2.gz YEKATJTZQURSKF-UHFFFAOYSA-N 1 2 384.505 3.944 20 30 GHEDLO CC(C)c1ccc(S(=O)(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001255370907 1040966371 /nfs/dbraw/zinc/96/63/71/1040966371.db2.gz GKRLHHBFWNSRJG-UHFFFAOYSA-N 1 2 397.544 3.647 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3c(F)cc(C#N)cc3F)CC[C@@H]21 ZINC001235653171 1041100335 /nfs/dbraw/zinc/10/03/35/1041100335.db2.gz FESOKJLESGSUIR-KDOFPFPSSA-N 1 2 377.435 3.668 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3c(F)cc(C#N)cc3F)CC[C@@H]21 ZINC001235653171 1041100363 /nfs/dbraw/zinc/10/03/63/1041100363.db2.gz FESOKJLESGSUIR-KDOFPFPSSA-N 1 2 377.435 3.668 20 30 GHEDLO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](Cc3c(F)cc(C#N)cc3F)C[C@H]12 ZINC001235654683 1041102787 /nfs/dbraw/zinc/10/27/87/1041102787.db2.gz PVWXUIVYBIDXNU-GOTSBHOMSA-N 1 2 395.453 3.601 20 30 GHEDLO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3c(F)cc(C#N)cc3F)C[C@H]12 ZINC001235654683 1041102795 /nfs/dbraw/zinc/10/27/95/1041102795.db2.gz PVWXUIVYBIDXNU-GOTSBHOMSA-N 1 2 395.453 3.601 20 30 GHEDLO CC(C)(C)OC(=O)NC[C@]1(C)CCC[N@H+](Cc2c(F)cc(C#N)cc2F)C1 ZINC001235661207 1041114424 /nfs/dbraw/zinc/11/44/24/1041114424.db2.gz MJYXNWUOMQVCRY-FQEVSTJZSA-N 1 2 379.451 3.963 20 30 GHEDLO CC(C)(C)OC(=O)NC[C@]1(C)CCC[N@@H+](Cc2c(F)cc(C#N)cc2F)C1 ZINC001235661207 1041114433 /nfs/dbraw/zinc/11/44/33/1041114433.db2.gz MJYXNWUOMQVCRY-FQEVSTJZSA-N 1 2 379.451 3.963 20 30 GHEDLO C=CCOC(=O)[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255702536 1041224857 /nfs/dbraw/zinc/22/48/57/1041224857.db2.gz ZLKMEWUAAARGCK-IHRRRGAJSA-N 1 2 379.419 3.527 20 30 GHEDLO Cc1cc(Br)c(O)c(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC001236666978 1041815023 /nfs/dbraw/zinc/81/50/23/1041815023.db2.gz YKFQZLNTKBSCPH-UHFFFAOYSA-N 1 2 386.293 3.657 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](F)[C@@](O)(C(F)(F)F)CC2)cc1Br ZINC001236858021 1041931203 /nfs/dbraw/zinc/93/12/03/1041931203.db2.gz TZLVKNQBXMKFLZ-ZIAGYGMSSA-N 1 2 395.194 3.548 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](F)[C@@](O)(C(F)(F)F)CC2)cc1Br ZINC001236858021 1041931205 /nfs/dbraw/zinc/93/12/05/1041931205.db2.gz TZLVKNQBXMKFLZ-ZIAGYGMSSA-N 1 2 395.194 3.548 20 30 GHEDLO N#Cc1cc(C[NH+]2CCN(c3cccc(OCc4ccccc4)c3)CC2)ccn1 ZINC001237464819 1042218726 /nfs/dbraw/zinc/21/87/26/1042218726.db2.gz WFHKVLUWDPRSMG-UHFFFAOYSA-N 1 2 384.483 3.854 20 30 GHEDLO N#Cc1cc(C[N@@H+]2CC[C@H]3O[C@@H](COCc4ccccn4)CC[C@H]32)c(F)cc1F ZINC001237525862 1042251178 /nfs/dbraw/zinc/25/11/78/1042251178.db2.gz KMCJGRBJOHDMPW-STZQEDGTSA-N 1 2 399.441 3.570 20 30 GHEDLO N#Cc1cc(C[N@H+]2CC[C@H]3O[C@@H](COCc4ccccn4)CC[C@H]32)c(F)cc1F ZINC001237525862 1042251184 /nfs/dbraw/zinc/25/11/84/1042251184.db2.gz KMCJGRBJOHDMPW-STZQEDGTSA-N 1 2 399.441 3.570 20 30 GHEDLO N#Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3scnc3Br)C2)cc1 ZINC001238040781 1042470017 /nfs/dbraw/zinc/47/00/17/1042470017.db2.gz XMHQUBNCHGAASP-CQSZACIVSA-N 1 2 378.295 3.821 20 30 GHEDLO N#Cc1ccc(O[C@@H]2CCC[N@H+](Cc3scnc3Br)C2)cc1 ZINC001238040781 1042470019 /nfs/dbraw/zinc/47/00/19/1042470019.db2.gz XMHQUBNCHGAASP-CQSZACIVSA-N 1 2 378.295 3.821 20 30 GHEDLO N#Cc1cccc(NC(=S)Nc2ccc(O[C@H]3CC[NH2+]CC3(F)F)cc2)c1 ZINC001239352414 1042812285 /nfs/dbraw/zinc/81/22/85/1042812285.db2.gz SOMJJACVEZXMJU-KRWDZBQOSA-N 1 2 388.443 3.743 20 30 GHEDLO C=CC[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](c2ccccc2)C1)C(=O)OC ZINC001256940467 1043764332 /nfs/dbraw/zinc/76/43/32/1043764332.db2.gz GAGFLXHODOIGIZ-IPMKNSEASA-N 1 2 388.508 3.835 20 30 GHEDLO N#Cc1cc(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cs1 ZINC001261253401 1045941419 /nfs/dbraw/zinc/94/14/19/1045941419.db2.gz BCCUEYRXHUZZSQ-MRXNPFEDSA-N 1 2 377.872 3.979 20 30 GHEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@H]([C@@H]2CCCC2(C)C)C1 ZINC001262873946 1046395613 /nfs/dbraw/zinc/39/56/13/1046395613.db2.gz ZDNDSOBUKHBXJM-OALUTQOASA-N 1 2 384.572 3.561 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@H]2OCCC[C@H]2C1 ZINC001262977915 1046462733 /nfs/dbraw/zinc/46/27/33/1046462733.db2.gz RKFUXRKFQYZYGN-SESVDKBCSA-N 1 2 395.551 3.662 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@H]2OCCC[C@H]2C1 ZINC001262977915 1046462740 /nfs/dbraw/zinc/46/27/40/1046462740.db2.gz RKFUXRKFQYZYGN-SESVDKBCSA-N 1 2 395.551 3.662 20 30 GHEDLO C=CCN(c1nnc(C(C)C)n1C[C@H](c1ccccc1)[NH+]1CCOCC1)C1CC1 ZINC001301314182 1046478024 /nfs/dbraw/zinc/47/80/24/1046478024.db2.gz OSOYJBFSNKJPSC-OAQYLSRUSA-N 1 2 395.551 3.630 20 30 GHEDLO CCN(C(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1ccc(C#N)cc1Br)C(C)C ZINC001279962311 1048015715 /nfs/dbraw/zinc/01/57/15/1048015715.db2.gz VMGKJWVMGZGOCD-QFBILLFUSA-N 1 2 390.325 3.542 20 30 GHEDLO CCN(C(=O)[C@@]12C[C@@H]1CC[N@H+]2Cc1ccc(C#N)cc1Br)C(C)C ZINC001279962311 1048015729 /nfs/dbraw/zinc/01/57/29/1048015729.db2.gz VMGKJWVMGZGOCD-QFBILLFUSA-N 1 2 390.325 3.542 20 30 GHEDLO COC(=O)C[N@H+](CCc1ccc(C#N)cc1)Cc1cccc(Br)c1 ZINC001307738967 1049551206 /nfs/dbraw/zinc/55/12/06/1049551206.db2.gz SCUZIFWLQWFWTG-UHFFFAOYSA-N 1 2 387.277 3.538 20 30 GHEDLO COC(=O)C[N@@H+](CCc1ccc(C#N)cc1)Cc1cccc(Br)c1 ZINC001307738967 1049551221 /nfs/dbraw/zinc/55/12/21/1049551221.db2.gz SCUZIFWLQWFWTG-UHFFFAOYSA-N 1 2 387.277 3.538 20 30 GHEDLO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC001307859047 1049642602 /nfs/dbraw/zinc/64/26/02/1049642602.db2.gz FKZWFEKVOGQHPX-OAHLLOKOSA-N 1 2 384.443 3.586 20 30 GHEDLO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC001307859047 1049642607 /nfs/dbraw/zinc/64/26/07/1049642607.db2.gz FKZWFEKVOGQHPX-OAHLLOKOSA-N 1 2 384.443 3.586 20 30 GHEDLO C[C@@H](C[N@H+](C)Cc1ccc(Br)cc1C#N)NC(=O)OC(C)(C)C ZINC001307974013 1049733151 /nfs/dbraw/zinc/73/31/51/1049733151.db2.gz LYVSROSSJPEQOP-LBPRGKRZSA-N 1 2 382.302 3.666 20 30 GHEDLO C[C@@H](C[N@@H+](C)Cc1ccc(Br)cc1C#N)NC(=O)OC(C)(C)C ZINC001307974013 1049733157 /nfs/dbraw/zinc/73/31/57/1049733157.db2.gz LYVSROSSJPEQOP-LBPRGKRZSA-N 1 2 382.302 3.666 20 30 GHEDLO Cc1cn2c([nH+]1)[C@H](Cn1c(N3CCC[C@@](C)(C#N)C3)nnc1C(C)(C)C)CCC2 ZINC001290296188 1049793570 /nfs/dbraw/zinc/79/35/70/1049793570.db2.gz QQJBIDGXGIZBRG-JTSKRJEESA-N 1 2 395.555 3.788 20 30 GHEDLO Cc1cccc(C)c1NC(=O)CCC[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC001335678873 1052150080 /nfs/dbraw/zinc/15/00/80/1052150080.db2.gz NGSDDWZLOPATCQ-HSZRJFAPSA-N 1 2 376.504 3.975 20 30 GHEDLO Cc1cccc(C)c1NC(=O)CCC[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC001335678873 1052150086 /nfs/dbraw/zinc/15/00/86/1052150086.db2.gz NGSDDWZLOPATCQ-HSZRJFAPSA-N 1 2 376.504 3.975 20 30 GHEDLO C#C[C@H](C)NC(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC001312934572 1052915323 /nfs/dbraw/zinc/91/53/23/1052915323.db2.gz OWCCYBDHLSKUIO-UWJYYQICSA-N 1 2 381.907 3.778 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@H]1c1ccccc1 ZINC001342685979 1053299214 /nfs/dbraw/zinc/29/92/14/1053299214.db2.gz PITSXOBQRKFVSL-FQEVSTJZSA-N 1 2 378.524 3.733 20 30 GHEDLO CC(C)Cn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC(C#N)CC1 ZINC001343011151 1053496567 /nfs/dbraw/zinc/49/65/67/1053496567.db2.gz LQBHJEHASVDTQM-GOSISDBHSA-N 1 2 380.540 3.867 20 30 GHEDLO CC(C)Cn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC(C#N)CC1 ZINC001343011151 1053496576 /nfs/dbraw/zinc/49/65/76/1053496576.db2.gz LQBHJEHASVDTQM-GOSISDBHSA-N 1 2 380.540 3.867 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@H](OCC)C1 ZINC001343456881 1053782345 /nfs/dbraw/zinc/78/23/45/1053782345.db2.gz KCQBGGLNGFBFNU-ICSRJNTNSA-N 1 2 383.540 3.662 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@H](OCC)C1 ZINC001343456881 1053782358 /nfs/dbraw/zinc/78/23/58/1053782358.db2.gz KCQBGGLNGFBFNU-ICSRJNTNSA-N 1 2 383.540 3.662 20 30 GHEDLO CC(C)Cn1c([C@H](C)CCC#N)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001343482391 1053799536 /nfs/dbraw/zinc/79/95/36/1053799536.db2.gz LOMUWQSXHKTIOJ-QGZVFWFLSA-N 1 2 381.528 3.817 20 30 GHEDLO C=CC1CCN(c2nnc([C@@H]3C[N@H+](C(C)C)CCO3)n2Cc2ccccc2)CC1 ZINC001343686597 1053972180 /nfs/dbraw/zinc/97/21/80/1053972180.db2.gz PLOOSJQYYRXANU-NRFANRHFSA-N 1 2 395.551 3.511 20 30 GHEDLO C=CC1CCN(c2nnc([C@@H]3C[N@@H+](C(C)C)CCO3)n2Cc2ccccc2)CC1 ZINC001343686597 1053972186 /nfs/dbraw/zinc/97/21/86/1053972186.db2.gz PLOOSJQYYRXANU-NRFANRHFSA-N 1 2 395.551 3.511 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCO[C@H](c2ccccc2F)C1 ZINC001343928601 1054123470 /nfs/dbraw/zinc/12/34/70/1054123470.db2.gz QWMWVWAQONSWDS-UXHICEINSA-N 1 2 399.514 3.728 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCO[C@H](c2ccccc2F)C1 ZINC001343928601 1054123476 /nfs/dbraw/zinc/12/34/76/1054123476.db2.gz QWMWVWAQONSWDS-UXHICEINSA-N 1 2 399.514 3.728 20 30 GHEDLO CN(Cc1cc(C#N)cs1)c1nnc([C@H]2CCC[N@@H+]2C)n1Cc1ccccc1 ZINC001344068817 1054225037 /nfs/dbraw/zinc/22/50/37/1054225037.db2.gz OFJHVBHVWMOLSQ-LJQANCHMSA-N 1 2 392.532 3.663 20 30 GHEDLO CN(Cc1cc(C#N)cs1)c1nnc([C@H]2CCC[N@H+]2C)n1Cc1ccccc1 ZINC001344068817 1054225053 /nfs/dbraw/zinc/22/50/53/1054225053.db2.gz OFJHVBHVWMOLSQ-LJQANCHMSA-N 1 2 392.532 3.663 20 30 GHEDLO C=C(C)CN(Cc1ccccc1)c1nnc([C@H]2CCC[N@H+]2C)n1C[C@H]1CCOC1 ZINC001345628389 1055170667 /nfs/dbraw/zinc/17/06/67/1055170667.db2.gz VQTDHKUJFBBIKC-NHCUHLMSSA-N 1 2 395.551 3.664 20 30 GHEDLO C=C(C)CN(Cc1ccccc1)c1nnc([C@H]2CCC[N@@H+]2C)n1C[C@H]1CCOC1 ZINC001345628389 1055170680 /nfs/dbraw/zinc/17/06/80/1055170680.db2.gz VQTDHKUJFBBIKC-NHCUHLMSSA-N 1 2 395.551 3.664 20 30 GHEDLO CC(C)C[C@H](c1nnc(N(C)[C@H]2CCC[C@H]2C#N)n1CC1CC1)n1cc[nH+]c1 ZINC001345699439 1055211089 /nfs/dbraw/zinc/21/10/89/1055211089.db2.gz LWVCXZJQUIHZAQ-GBESFXJTSA-N 1 2 381.528 3.649 20 30 GHEDLO N#Cc1cccc(CNC(=O)[C@@H](c2cccc(Br)c2)[NH+]2CCCC2)c1 ZINC001354171770 1056392418 /nfs/dbraw/zinc/39/24/18/1056392418.db2.gz VYFGTYLLQGNLBB-LJQANCHMSA-N 1 2 398.304 3.774 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(CC(C)(C)C)n2CCc2ccccc2Cl)CC1 ZINC001300700749 1056912731 /nfs/dbraw/zinc/91/27/31/1056912731.db2.gz VOESGAXBTBJGBG-UHFFFAOYSA-N 1 2 399.970 3.518 20 30 GHEDLO C=CCO[C@@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC001323783920 1057012708 /nfs/dbraw/zinc/01/27/08/1057012708.db2.gz AMCOGMGVTAJLLB-GFCCVEGCSA-N 1 2 391.103 3.694 20 30 GHEDLO C=CCO[C@@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC001323783920 1057012713 /nfs/dbraw/zinc/01/27/13/1057012713.db2.gz AMCOGMGVTAJLLB-GFCCVEGCSA-N 1 2 391.103 3.694 20 30 GHEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(CN2C(=O)c3ccccc3C2=O)CC1 ZINC001324150621 1057079439 /nfs/dbraw/zinc/07/94/39/1057079439.db2.gz KVERSCYBLACILT-UHFFFAOYSA-N 1 2 393.874 3.720 20 30 GHEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC(C)(C)C[C@@H]1c1ccccc1 ZINC001338139145 1058421615 /nfs/dbraw/zinc/42/16/15/1058421615.db2.gz QAJHNVQHIFYYGG-HXUWFJFHSA-N 1 2 392.551 3.886 20 30 GHEDLO Cc1cc(F)ccc1[C@@H]1CCCN1c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001338297201 1058501457 /nfs/dbraw/zinc/50/14/57/1058501457.db2.gz IVRXTEJGHLABSK-FQEVSTJZSA-N 1 2 396.514 3.697 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@@H]3CCC[C@@H](C(F)(F)F)C3)CC2)cc1 ZINC001440432073 1058517071 /nfs/dbraw/zinc/51/70/71/1058517071.db2.gz QZJVYJLSQXIITI-RTBURBONSA-N 1 2 393.453 3.961 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@H](c2ccccc2OC)C1 ZINC001338895391 1058863953 /nfs/dbraw/zinc/86/39/53/1058863953.db2.gz IOHDFCSVNUCTEU-HKUYNNGSSA-N 1 2 381.524 3.623 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@H](c2ccccc2OC)C1 ZINC001338895391 1058863978 /nfs/dbraw/zinc/86/39/78/1058863978.db2.gz IOHDFCSVNUCTEU-HKUYNNGSSA-N 1 2 381.524 3.623 20 30 GHEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+](C)[C@@H]2CC[C@@H](SC)C2)c1=S ZINC001339603713 1059337998 /nfs/dbraw/zinc/33/79/98/1059337998.db2.gz DZUXRHZDYMVESU-HZPDHXFCSA-N 1 2 375.567 3.835 20 30 GHEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+](C)[C@@H]2CC[C@@H](SC)C2)c1=S ZINC001339603713 1059338016 /nfs/dbraw/zinc/33/80/16/1059338016.db2.gz DZUXRHZDYMVESU-HZPDHXFCSA-N 1 2 375.567 3.835 20 30 GHEDLO C[C@H](c1cccc(Cl)c1)N(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001339629534 1059357699 /nfs/dbraw/zinc/35/76/99/1059357699.db2.gz SVVPDEVQXDQUFB-OAHLLOKOSA-N 1 2 386.931 3.759 20 30 GHEDLO C=CCn1c([C@H]2CCCC2(F)F)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001340505832 1059954667 /nfs/dbraw/zinc/95/46/67/1059954667.db2.gz JAUMSHQXUGFSDF-MRXNPFEDSA-N 1 2 388.466 3.843 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)[C@H](C)c1ccc(F)cc1 ZINC001341034554 1060345934 /nfs/dbraw/zinc/34/59/34/1060345934.db2.gz CAOFHWFIMVFMAA-MRXNPFEDSA-N 1 2 384.503 3.728 20 30 GHEDLO CCn1c([C@H]2CCCC[N@@H+]2Cc2ccccc2)nnc1N1CCC[C@H](C#N)C1 ZINC001341126083 1060426439 /nfs/dbraw/zinc/42/64/39/1060426439.db2.gz BHCAXAYUVOHZDJ-WOJBJXKFSA-N 1 2 378.524 3.765 20 30 GHEDLO CCn1c([C@H]2CCCC[N@H+]2Cc2ccccc2)nnc1N1CCC[C@H](C#N)C1 ZINC001341126083 1060426460 /nfs/dbraw/zinc/42/64/60/1060426460.db2.gz BHCAXAYUVOHZDJ-WOJBJXKFSA-N 1 2 378.524 3.765 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC001346188507 1061436991 /nfs/dbraw/zinc/43/69/91/1061436991.db2.gz ZYYNSQZXZAFRPY-IHPCNDPISA-N 1 2 381.524 3.587 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC001346188507 1061436997 /nfs/dbraw/zinc/43/69/97/1061436997.db2.gz ZYYNSQZXZAFRPY-IHPCNDPISA-N 1 2 381.524 3.587 20 30 GHEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC(F)(F)C[C@@H]1C ZINC001346187823 1061437458 /nfs/dbraw/zinc/43/74/58/1061437458.db2.gz IUPZZVBRHKAJCI-INIZCTEOSA-N 1 2 392.498 3.571 20 30 GHEDLO N#CCn1c(C(=O)N2CC[NH2+][C@H](c3ccc(Cl)cc3)C2)cc2ccccc21 ZINC001454254219 1061669979 /nfs/dbraw/zinc/66/99/79/1061669979.db2.gz AUSMIGVUXQXUKS-SFHVURJKSA-N 1 2 378.863 3.605 20 30 GHEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N(C)[C@H](C)c1ccco1 ZINC001346646649 1061761112 /nfs/dbraw/zinc/76/11/12/1061761112.db2.gz JOROYYXGPVIUPS-LMMKCTJWSA-N 1 2 385.512 3.570 20 30 GHEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N(C)[C@H](C)c1ccco1 ZINC001346646649 1061761135 /nfs/dbraw/zinc/76/11/35/1061761135.db2.gz JOROYYXGPVIUPS-LMMKCTJWSA-N 1 2 385.512 3.570 20 30 GHEDLO Cc1cn2c([nH+]1)[C@H](Cn1c(CC(C)(C)C)nnc1N(C)C[C@H](C)C#N)CCC2 ZINC001492628439 1061829627 /nfs/dbraw/zinc/82/96/27/1061829627.db2.gz FWTXBUFJTJDPQH-WBVHZDCISA-N 1 2 383.544 3.545 20 30 GHEDLO Cc1cn2c([nH+]1)[C@H](Cn1c(N3CCC(C)(C#N)CC3)nnc1C(C)(C)C)CCC2 ZINC001492628684 1061831804 /nfs/dbraw/zinc/83/18/04/1061831804.db2.gz KLKUJGLKVRMQLO-KRWDZBQOSA-N 1 2 395.555 3.788 20 30 GHEDLO N#Cc1cccc([N+](=O)[O-])c1N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001458080546 1063551478 /nfs/dbraw/zinc/55/14/78/1063551478.db2.gz BMMXJXPEMWSQPR-UHFFFAOYSA-N 1 2 390.365 3.807 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cc(C)c(C#N)c(C)c2)[C@H](C)C1 ZINC001459413707 1064090660 /nfs/dbraw/zinc/09/06/60/1064090660.db2.gz NUDCRRAQTXMFMC-LJQANCHMSA-N 1 2 391.515 3.920 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cc(C)c(C#N)c(C)c2)[C@H](C)C1 ZINC001459413707 1064090666 /nfs/dbraw/zinc/09/06/66/1064090666.db2.gz NUDCRRAQTXMFMC-LJQANCHMSA-N 1 2 391.515 3.920 20 30 GHEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@H]2CCCc3ccc(Br)cc32)CC1 ZINC001459884783 1064256589 /nfs/dbraw/zinc/25/65/89/1064256589.db2.gz WWHDEVMKAVMZJU-OALUTQOASA-N 1 2 376.342 3.992 20 30 GHEDLO C=C(C)CN(CC)c1nnc(CC)n1C[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001359114422 1067692781 /nfs/dbraw/zinc/69/27/81/1067692781.db2.gz KXGBKCIJNBZGMU-OAQYLSRUSA-N 1 2 397.567 3.625 20 30 GHEDLO Cc1sc(NC(=O)C[N@H+]2C[C@@H](C(=O)OC(C)(C)C)CC[C@H]2C)c(C#N)c1C ZINC001460269232 1068897221 /nfs/dbraw/zinc/89/72/21/1068897221.db2.gz JYTUMNSDJVHMHK-DOMZBBRYSA-N 1 2 391.537 3.617 20 30 GHEDLO Cc1sc(NC(=O)C[N@@H+]2C[C@@H](C(=O)OC(C)(C)C)CC[C@H]2C)c(C#N)c1C ZINC001460269232 1068897228 /nfs/dbraw/zinc/89/72/28/1068897228.db2.gz JYTUMNSDJVHMHK-DOMZBBRYSA-N 1 2 391.537 3.617 20 30 GHEDLO N#Cc1cccc(OCC[N@H+]2CCc3ccc(F)c(Br)c3C2)c1 ZINC001460492280 1068979151 /nfs/dbraw/zinc/97/91/51/1068979151.db2.gz CRRAOQSVJBWKLP-UHFFFAOYSA-N 1 2 375.241 3.897 20 30 GHEDLO N#Cc1cccc(OCC[N@@H+]2CCc3ccc(F)c(Br)c3C2)c1 ZINC001460492280 1068979153 /nfs/dbraw/zinc/97/91/53/1068979153.db2.gz CRRAOQSVJBWKLP-UHFFFAOYSA-N 1 2 375.241 3.897 20 30 GHEDLO C[C@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC001460549255 1068993083 /nfs/dbraw/zinc/99/30/83/1068993083.db2.gz VKDCPKFKGWEZTF-CQSZACIVSA-N 1 2 384.430 3.740 20 30 GHEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+](C[C@@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC001460605672 1069023216 /nfs/dbraw/zinc/02/32/16/1069023216.db2.gz NMQBTZZBGMJLLA-MJGOQNOKSA-N 1 2 375.394 3.691 20 30 GHEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+](C[C@@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC001460605672 1069023230 /nfs/dbraw/zinc/02/32/30/1069023230.db2.gz NMQBTZZBGMJLLA-MJGOQNOKSA-N 1 2 375.394 3.691 20 30 GHEDLO C[N@@H+](Cc1ccc(F)cc1C#N)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001460629512 1069042615 /nfs/dbraw/zinc/04/26/15/1069042615.db2.gz XDXFHYZEAORHSS-QGZVFWFLSA-N 1 2 383.250 3.876 20 30 GHEDLO C[N@H+](Cc1ccc(F)cc1C#N)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001460629512 1069042619 /nfs/dbraw/zinc/04/26/19/1069042619.db2.gz XDXFHYZEAORHSS-QGZVFWFLSA-N 1 2 383.250 3.876 20 30 GHEDLO N#CC1CCC(CNC(=O)NCCN(Cc2ccccc2)c2cccc[nH+]2)CC1 ZINC001478505552 1078897873 /nfs/dbraw/zinc/89/78/73/1078897873.db2.gz OXFNTBXJDKGYSS-UHFFFAOYSA-N 1 2 391.519 3.717 20 30 GHEDLO N#Cc1cccc([C@@H](NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C(F)(F)F)c1 ZINC001471421408 1073065087 /nfs/dbraw/zinc/06/50/87/1073065087.db2.gz ODHKTLWBLIFCKK-LJQANCHMSA-N 1 2 384.361 3.706 20 30 GHEDLO N#Cc1cccc([C@H](NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C(F)(F)F)c1 ZINC001471421407 1073065456 /nfs/dbraw/zinc/06/54/56/1073065456.db2.gz ODHKTLWBLIFCKK-IBGZPJMESA-N 1 2 384.361 3.706 20 30 GHEDLO CCc1ccc(N2CC[NH+]([C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)cc1 ZINC001473201579 1073855275 /nfs/dbraw/zinc/85/52/75/1073855275.db2.gz BADFJDLHYKJVHY-MRXNPFEDSA-N 1 2 396.922 3.923 20 30 GHEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCc3nc[nH]c3[C@H]2c2ccc(Cl)cc2)cc1 ZINC001473815580 1074157495 /nfs/dbraw/zinc/15/74/95/1074157495.db2.gz ZZWVCEIPNDUEBH-PZJWPPBQSA-N 1 2 378.863 3.616 20 30 GHEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCc3nc[nH]c3[C@H]2c2ccc(Cl)cc2)cc1 ZINC001473815580 1074157498 /nfs/dbraw/zinc/15/74/98/1074157498.db2.gz ZZWVCEIPNDUEBH-PZJWPPBQSA-N 1 2 378.863 3.616 20 30 GHEDLO C[NH+](C)Cc1nc(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)co1 ZINC001476141732 1075093637 /nfs/dbraw/zinc/09/36/37/1075093637.db2.gz IYBUCTXMSBTOAP-UHFFFAOYSA-N 1 2 391.431 3.722 20 30 GHEDLO C=CCCCCCNC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000579729857 834478803 /nfs/dbraw/zinc/47/88/03/834478803.db2.gz RKDXYESXTQHREI-UHFFFAOYSA-N 1 2 380.492 3.688 20 30 GHEDLO CC(C)N1C(=O)C[C@H]([NH2+]C[C@H](C#N)CCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000611912878 834951337 /nfs/dbraw/zinc/95/13/37/834951337.db2.gz POFAEZJFAOCPRD-SOVGHPHASA-N 1 2 376.863 3.563 20 30 GHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)NC(=O)Nc1ccccc1 ZINC000512505801 844030936 /nfs/dbraw/zinc/03/09/36/844030936.db2.gz CBGJCQOYPZDCFB-QGZVFWFLSA-N 1 2 383.496 3.579 20 30 GHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)NC(=O)Nc1ccccc1 ZINC000512505801 844030942 /nfs/dbraw/zinc/03/09/42/844030942.db2.gz CBGJCQOYPZDCFB-QGZVFWFLSA-N 1 2 383.496 3.579 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000151255880 835321749 /nfs/dbraw/zinc/32/17/49/835321749.db2.gz KWBAWOLJDJNYFF-DLBZAZTESA-N 1 2 395.532 3.583 20 30 GHEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Br)c(C)c1 ZINC000430237931 835324307 /nfs/dbraw/zinc/32/43/07/835324307.db2.gz KILXTWJBDNFIGR-KBXCAEBGSA-N 1 2 392.341 3.903 20 30 GHEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1c1ccc(Br)c(C)c1 ZINC000430237931 835324315 /nfs/dbraw/zinc/32/43/15/835324315.db2.gz KILXTWJBDNFIGR-KBXCAEBGSA-N 1 2 392.341 3.903 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@](C)(C#N)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000612152449 835685614 /nfs/dbraw/zinc/68/56/14/835685614.db2.gz ASRBPNOGCVMZRI-XKGZKEIXSA-N 1 2 394.441 3.574 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)N2CCC[C@](C)(C#N)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000612152449 835685619 /nfs/dbraw/zinc/68/56/19/835685619.db2.gz ASRBPNOGCVMZRI-XKGZKEIXSA-N 1 2 394.441 3.574 20 30 GHEDLO COc1cc(C#N)ccc1NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000548879899 835760729 /nfs/dbraw/zinc/76/07/29/835760729.db2.gz XXCXDNBOYNQFIN-MRXNPFEDSA-N 1 2 379.464 3.511 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)[C@H](C#N)CCc2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000433384657 844094144 /nfs/dbraw/zinc/09/41/44/844094144.db2.gz WPEJNXKQQPKLPY-DZFGPLHGSA-N 1 2 383.442 3.599 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)[C@H](C#N)CCc2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000433384657 844094152 /nfs/dbraw/zinc/09/41/52/844094152.db2.gz WPEJNXKQQPKLPY-DZFGPLHGSA-N 1 2 383.442 3.599 20 30 GHEDLO COc1ccc(C[NH2+]Cc2cc(COC(C)(C)C)on2)cc1OCCCC#N ZINC000274977263 835865809 /nfs/dbraw/zinc/86/58/09/835865809.db2.gz JFHANRRTMLUZOD-UHFFFAOYSA-N 1 2 387.480 3.971 20 30 GHEDLO N#CCCNC(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000426427110 844101754 /nfs/dbraw/zinc/10/17/54/844101754.db2.gz LRRATHQKVGRURK-HXUWFJFHSA-N 1 2 382.895 3.670 20 30 GHEDLO N#Cc1ccc(OCc2cccc(C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)c2)cc1 ZINC000120723290 836155106 /nfs/dbraw/zinc/15/51/06/836155106.db2.gz NUTRFRDGEGAPNV-HSZRJFAPSA-N 1 2 399.450 3.826 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)cc1OC ZINC000628257245 836241660 /nfs/dbraw/zinc/24/16/60/836241660.db2.gz FXNAZNQPRODEBO-QRWLVFNGSA-N 1 2 381.900 3.683 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)cc1OC ZINC000628257245 836241669 /nfs/dbraw/zinc/24/16/69/836241669.db2.gz FXNAZNQPRODEBO-QRWLVFNGSA-N 1 2 381.900 3.683 20 30 GHEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000413833807 836456731 /nfs/dbraw/zinc/45/67/31/836456731.db2.gz KYOUEJYNCAOERT-KNQAVFIVSA-N 1 2 378.520 3.657 20 30 GHEDLO C[C@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000175580899 836715319 /nfs/dbraw/zinc/71/53/19/836715319.db2.gz AEZMWTFNLDTWEU-IRXDYDNUSA-N 1 2 395.528 3.548 20 30 GHEDLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1sccc1CC#N ZINC001266435650 836904340 /nfs/dbraw/zinc/90/43/40/836904340.db2.gz NAOCDSFMWUEHIC-OXJNMPFZSA-N 1 2 396.560 3.890 20 30 GHEDLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1sccc1CC#N ZINC001266435650 836904345 /nfs/dbraw/zinc/90/43/45/836904345.db2.gz NAOCDSFMWUEHIC-OXJNMPFZSA-N 1 2 396.560 3.890 20 30 GHEDLO Cn1cc(CNc2ccccc2OCCn2cc[nH+]c2)c(-c2ccc(C#N)cc2)n1 ZINC000180333843 837143408 /nfs/dbraw/zinc/14/34/08/837143408.db2.gz TZGPUYYJRKRHGS-UHFFFAOYSA-N 1 2 398.470 3.846 20 30 GHEDLO CC(C)(C)n1ncc2c1nc[nH+]c2N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000376206293 837304803 /nfs/dbraw/zinc/30/48/03/837304803.db2.gz XRNDOUKCUOVEEJ-UHFFFAOYSA-N 1 2 394.454 3.640 20 30 GHEDLO CCN(C(=O)c1ccc(C#N)cc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000377793680 837984042 /nfs/dbraw/zinc/98/40/42/837984042.db2.gz USLFJXOKDYTBHH-UHFFFAOYSA-N 1 2 391.519 3.911 20 30 GHEDLO N#Cc1cc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)c([N+](=O)[O-])s1 ZINC000893098268 838051814 /nfs/dbraw/zinc/05/18/14/838051814.db2.gz JRLQXYHLLARZRK-UHFFFAOYSA-N 1 2 379.445 3.530 20 30 GHEDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCC3CCC(C#N)CC3)c2C1 ZINC000376568886 838257927 /nfs/dbraw/zinc/25/79/27/838257927.db2.gz DQSSHMWTKGUMCN-UHFFFAOYSA-N 1 2 376.504 3.673 20 30 GHEDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCC3CCC(C#N)CC3)c2C1 ZINC000376568886 838257931 /nfs/dbraw/zinc/25/79/31/838257931.db2.gz DQSSHMWTKGUMCN-UHFFFAOYSA-N 1 2 376.504 3.673 20 30 GHEDLO Cc1nc(C2(NC(=O)[C@H]3C[N@H+](Cc4ccccc4)CCO3)CCCCCC2)no1 ZINC000328675997 838272414 /nfs/dbraw/zinc/27/24/14/838272414.db2.gz RHMPKSRXJIVBIX-LJQANCHMSA-N 1 2 398.507 3.785 20 30 GHEDLO Cc1nc(C2(NC(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCO3)CCCCCC2)no1 ZINC000328675997 838272421 /nfs/dbraw/zinc/27/24/21/838272421.db2.gz RHMPKSRXJIVBIX-LJQANCHMSA-N 1 2 398.507 3.785 20 30 GHEDLO C[C@@H](NC(=O)Nc1ccccc1OCCn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000610324133 838451275 /nfs/dbraw/zinc/45/12/75/838451275.db2.gz VZAPPPPYJPIQCK-MRXNPFEDSA-N 1 2 375.432 3.716 20 30 GHEDLO C=C(C)CN(CC)C(=O)CN1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000535740000 844365974 /nfs/dbraw/zinc/36/59/74/844365974.db2.gz GBCAOHHKAMKMQX-UHFFFAOYSA-N 1 2 398.378 3.578 20 30 GHEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000535740000 844365988 /nfs/dbraw/zinc/36/59/88/844365988.db2.gz GBCAOHHKAMKMQX-UHFFFAOYSA-N 1 2 398.378 3.578 20 30 GHEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)N[C@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000610406509 839133869 /nfs/dbraw/zinc/13/38/69/839133869.db2.gz CGIUWCCQTAYGPF-QZTJIDSGSA-N 1 2 392.503 3.716 20 30 GHEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1C(=O)NCC(C)C)Cc1cccs1 ZINC000014286918 839466600 /nfs/dbraw/zinc/46/66/00/839466600.db2.gz MXPGYEJWISZGPA-UHFFFAOYSA-N 1 2 385.533 3.761 20 30 GHEDLO C=CC[N@H+](CC(=O)Nc1ccccc1C(=O)NCC(C)C)Cc1cccs1 ZINC000014286918 839466603 /nfs/dbraw/zinc/46/66/03/839466603.db2.gz MXPGYEJWISZGPA-UHFFFAOYSA-N 1 2 385.533 3.761 20 30 GHEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](C[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000759865769 840262750 /nfs/dbraw/zinc/26/27/50/840262750.db2.gz MUHIFJMBICPERL-UXHICEINSA-N 1 2 391.849 3.534 20 30 GHEDLO COc1ccc(C[N@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)cc1F ZINC000123049037 841305193 /nfs/dbraw/zinc/30/51/93/841305193.db2.gz WPMGNMIHIHCHJB-UHFFFAOYSA-N 1 2 389.858 3.866 20 30 GHEDLO COc1ccc(C[N@@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)cc1F ZINC000123049037 841305203 /nfs/dbraw/zinc/30/52/03/841305203.db2.gz WPMGNMIHIHCHJB-UHFFFAOYSA-N 1 2 389.858 3.866 20 30 GHEDLO C=C(C)COc1cc(C[NH+]2CCN(Cc3nc(C)c(C)o3)CC2)ccc1OC ZINC000093056321 841427281 /nfs/dbraw/zinc/42/72/81/841427281.db2.gz AOZWGORZZOCBOH-UHFFFAOYSA-N 1 2 385.508 3.573 20 30 GHEDLO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000581658095 841921721 /nfs/dbraw/zinc/92/17/21/841921721.db2.gz NZTDKHHJESYDBT-QRQLOZEOSA-N 1 2 380.492 3.681 20 30 GHEDLO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000581658095 841921728 /nfs/dbraw/zinc/92/17/28/841921728.db2.gz NZTDKHHJESYDBT-QRQLOZEOSA-N 1 2 380.492 3.681 20 30 GHEDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc(-c3cccc(C#N)c3)no2)c1C ZINC000468893562 841922836 /nfs/dbraw/zinc/92/28/36/841922836.db2.gz HBEWXWVLTRBZFS-UHFFFAOYSA-N 1 2 376.416 3.506 20 30 GHEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000066985955 842262319 /nfs/dbraw/zinc/26/23/19/842262319.db2.gz LIQFSVKQCQOIQZ-UHFFFAOYSA-N 1 2 376.460 3.779 20 30 GHEDLO N#CCOc1cccc(NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282427415 861315905 /nfs/dbraw/zinc/31/59/05/861315905.db2.gz IXFCHXDWFMFRNH-INIZCTEOSA-N 1 2 379.464 3.533 20 30 GHEDLO C=C(C)Cn1c(C)nnc1N1CC[NH+]([C@@H](CC)c2ccc(F)cc2F)CC1 ZINC000549644456 842874937 /nfs/dbraw/zinc/87/49/37/842874937.db2.gz QFFAYKNLKBDHIY-IBGZPJMESA-N 1 2 375.467 3.714 20 30 GHEDLO C#CCOc1ccc(NC(=O)c2c3ccccc3nc3c2C[N@H+](CC)CC3)cc1 ZINC000730979598 861380566 /nfs/dbraw/zinc/38/05/66/861380566.db2.gz YYONFPXQPHISFS-UHFFFAOYSA-N 1 2 385.467 3.877 20 30 GHEDLO C#CCOc1ccc(NC(=O)c2c3ccccc3nc3c2C[N@@H+](CC)CC3)cc1 ZINC000730979598 861380576 /nfs/dbraw/zinc/38/05/76/861380576.db2.gz YYONFPXQPHISFS-UHFFFAOYSA-N 1 2 385.467 3.877 20 30 GHEDLO COc1cc(C)c(C[N@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)cc1OC ZINC000024744566 843362222 /nfs/dbraw/zinc/36/22/22/843362222.db2.gz PCMKGWOKSWAPFT-UHFFFAOYSA-N 1 2 387.867 3.608 20 30 GHEDLO COc1cc(C)c(C[N@@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)cc1OC ZINC000024744566 843362233 /nfs/dbraw/zinc/36/22/33/843362233.db2.gz PCMKGWOKSWAPFT-UHFFFAOYSA-N 1 2 387.867 3.608 20 30 GHEDLO C[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc(-n2cccn2)c(F)c1 ZINC000555626410 861427867 /nfs/dbraw/zinc/42/78/67/861427867.db2.gz QUIHNIGFFJTSKD-AWEZNQCLSA-N 1 2 388.406 3.784 20 30 GHEDLO COc1cc(C[N@@H+]2CCO[C@@H](CCF)C2)ccc1OCc1cccc(C#N)c1 ZINC000599644315 861440592 /nfs/dbraw/zinc/44/05/92/861440592.db2.gz YFPPXJDLTFGVHT-FQEVSTJZSA-N 1 2 384.451 3.706 20 30 GHEDLO COc1cc(C[N@H+]2CCO[C@@H](CCF)C2)ccc1OCc1cccc(C#N)c1 ZINC000599644315 861440599 /nfs/dbraw/zinc/44/05/99/861440599.db2.gz YFPPXJDLTFGVHT-FQEVSTJZSA-N 1 2 384.451 3.706 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)CCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000500602993 843715150 /nfs/dbraw/zinc/71/51/50/843715150.db2.gz BOBBNYNJSCLAEM-SJORKVTESA-N 1 2 380.895 3.853 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)NCC(C)(C)CCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000500602993 843715162 /nfs/dbraw/zinc/71/51/62/843715162.db2.gz BOBBNYNJSCLAEM-SJORKVTESA-N 1 2 380.895 3.853 20 30 GHEDLO CCc1ccc(NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 ZINC000512833909 843833503 /nfs/dbraw/zinc/83/35/03/843833503.db2.gz PFNDVQQFQCDRHI-UHFFFAOYSA-N 1 2 381.451 3.742 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@@H](COC(F)F)C2)c1C#N ZINC000512842759 843865618 /nfs/dbraw/zinc/86/56/18/843865618.db2.gz BWVHEAHWEXZGQF-OAHLLOKOSA-N 1 2 394.466 3.591 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC[C@@H](COC(F)F)C2)c1C#N ZINC000512842759 843865623 /nfs/dbraw/zinc/86/56/23/843865623.db2.gz BWVHEAHWEXZGQF-OAHLLOKOSA-N 1 2 394.466 3.591 20 30 GHEDLO COc1ccc([C@@H]2CC[N@H+](CC(=O)Nc3sc(C)c(C)c3C#N)C2)cc1F ZINC000599675976 861472119 /nfs/dbraw/zinc/47/21/19/861472119.db2.gz BJHGGKMRRSIEQB-OAHLLOKOSA-N 1 2 387.480 3.812 20 30 GHEDLO COc1ccc([C@@H]2CC[N@@H+](CC(=O)Nc3sc(C)c(C)c3C#N)C2)cc1F ZINC000599675976 861472136 /nfs/dbraw/zinc/47/21/36/861472136.db2.gz BJHGGKMRRSIEQB-OAHLLOKOSA-N 1 2 387.480 3.812 20 30 GHEDLO C[C@@H](c1nnc(SCc2ccnc(C#N)c2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000610955347 844908266 /nfs/dbraw/zinc/90/82/66/844908266.db2.gz XBCSUUMTWYKPSG-ZDUSSCGKSA-N 1 2 382.468 3.588 20 30 GHEDLO Cc1noc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccccc3S[C@H](C)CC#N)C2)n1 ZINC000247065430 845015855 /nfs/dbraw/zinc/01/58/55/845015855.db2.gz HFWRUBRZPDAYJG-GDBMZVCRSA-N 1 2 399.520 3.590 20 30 GHEDLO Cc1noc([C@@H]2CCC[N@H+](CC(=O)Nc3ccccc3S[C@H](C)CC#N)C2)n1 ZINC000247065430 845015860 /nfs/dbraw/zinc/01/58/60/845015860.db2.gz HFWRUBRZPDAYJG-GDBMZVCRSA-N 1 2 399.520 3.590 20 30 GHEDLO C=CCOc1ccc(/C=C\C(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1OC ZINC000728419559 845055215 /nfs/dbraw/zinc/05/52/15/845055215.db2.gz KLBWUPWIHRDKAJ-ALCCZGGFSA-N 1 2 398.528 3.679 20 30 GHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000187695799 845283691 /nfs/dbraw/zinc/28/36/91/845283691.db2.gz QACFPHHQXOYPKX-UHFFFAOYSA-N 1 2 388.515 3.750 20 30 GHEDLO C=CCOc1ccc(C[NH+]2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1 ZINC000512763841 845457490 /nfs/dbraw/zinc/45/74/90/845457490.db2.gz VYKWVRMMYCKEAY-UHFFFAOYSA-N 1 2 375.472 3.691 20 30 GHEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3ccc(COc4ccc(C#N)cc4)o3)n2)C1 ZINC000500893304 845572140 /nfs/dbraw/zinc/57/21/40/845572140.db2.gz OIPMIFFLHXOVSH-IBGZPJMESA-N 1 2 394.431 3.562 20 30 GHEDLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3ccc(COc4ccc(C#N)cc4)o3)n2)C1 ZINC000500893304 845572160 /nfs/dbraw/zinc/57/21/60/845572160.db2.gz OIPMIFFLHXOVSH-IBGZPJMESA-N 1 2 394.431 3.562 20 30 GHEDLO N#CCOc1ccc(C[N@@H+]2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)cc1 ZINC000277388621 845943347 /nfs/dbraw/zinc/94/33/47/845943347.db2.gz JIEVZSPVOHXUOL-LJQANCHMSA-N 1 2 382.464 3.593 20 30 GHEDLO N#CCOc1ccc(C[N@H+]2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)cc1 ZINC000277388621 845943354 /nfs/dbraw/zinc/94/33/54/845943354.db2.gz JIEVZSPVOHXUOL-LJQANCHMSA-N 1 2 382.464 3.593 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)n2)C1 ZINC000280474772 846414039 /nfs/dbraw/zinc/41/40/39/846414039.db2.gz FWPIIVBPGIGXQM-CRAIPNDOSA-N 1 2 393.516 3.568 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)n2)C1 ZINC000280474772 846414045 /nfs/dbraw/zinc/41/40/45/846414045.db2.gz FWPIIVBPGIGXQM-CRAIPNDOSA-N 1 2 393.516 3.568 20 30 GHEDLO Cc1ccncc1C[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000501054683 846605801 /nfs/dbraw/zinc/60/58/01/846605801.db2.gz UVKAHDOGJINUSF-LJQANCHMSA-N 1 2 385.309 3.535 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCc3cc(F)cc(C)c3C2)cc1 ZINC000502953479 846650126 /nfs/dbraw/zinc/65/01/26/846650126.db2.gz RLTGEQRQCDZHCV-UHFFFAOYSA-N 1 2 395.478 3.838 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCc3cc(F)cc(C)c3C2)cc1 ZINC000502953479 846650134 /nfs/dbraw/zinc/65/01/34/846650134.db2.gz RLTGEQRQCDZHCV-UHFFFAOYSA-N 1 2 395.478 3.838 20 30 GHEDLO CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000503041029 846741741 /nfs/dbraw/zinc/74/17/41/846741741.db2.gz XSFCAQWJZYLLNP-IBGZPJMESA-N 1 2 388.855 3.726 20 30 GHEDLO COc1ccc(Br)cc1C[N@H+](C)Cc1ccc(C#N)cc1OC ZINC000501227453 846758245 /nfs/dbraw/zinc/75/82/45/846758245.db2.gz KURUSHVWWZCBKR-UHFFFAOYSA-N 1 2 375.266 3.970 20 30 GHEDLO COc1ccc(Br)cc1C[N@@H+](C)Cc1ccc(C#N)cc1OC ZINC000501227453 846758253 /nfs/dbraw/zinc/75/82/53/846758253.db2.gz KURUSHVWWZCBKR-UHFFFAOYSA-N 1 2 375.266 3.970 20 30 GHEDLO N#Cc1cccc(CCNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)c1 ZINC000366866493 847932290 /nfs/dbraw/zinc/93/22/90/847932290.db2.gz RPSMHTCFPSKHPE-UHFFFAOYSA-N 1 2 383.455 3.838 20 30 GHEDLO C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccc(C#N)cc1 ZINC000046519194 848098218 /nfs/dbraw/zinc/09/82/18/848098218.db2.gz UCDQMGIISALYPW-UHFFFAOYSA-N 1 2 378.501 3.831 20 30 GHEDLO C[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccc(C#N)cc1 ZINC000046519194 848098219 /nfs/dbraw/zinc/09/82/19/848098219.db2.gz UCDQMGIISALYPW-UHFFFAOYSA-N 1 2 378.501 3.831 20 30 GHEDLO Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000329656888 861919554 /nfs/dbraw/zinc/91/95/54/861919554.db2.gz MWUKOTMFYFBGJV-GOSISDBHSA-N 1 2 385.487 3.620 20 30 GHEDLO C#Cc1cccc(NC(=S)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)c1 ZINC000731943967 861967138 /nfs/dbraw/zinc/96/71/38/861967138.db2.gz PMXGHNSFAHPLCG-QGZVFWFLSA-N 1 2 385.483 3.897 20 30 GHEDLO C#Cc1cccc(NC(=S)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)c1 ZINC000731943967 861967149 /nfs/dbraw/zinc/96/71/49/861967149.db2.gz PMXGHNSFAHPLCG-QGZVFWFLSA-N 1 2 385.483 3.897 20 30 GHEDLO CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000505614155 850146932 /nfs/dbraw/zinc/14/69/32/850146932.db2.gz QDLQAHFSJXWCRB-SFHVURJKSA-N 1 2 385.309 3.989 20 30 GHEDLO CC(C)(C)c1ccccc1OCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000017843580 850299436 /nfs/dbraw/zinc/29/94/36/850299436.db2.gz LOMJKSGQQRBQPM-UHFFFAOYSA-N 1 2 391.515 3.579 20 30 GHEDLO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](CC)[C@H]2c2cc(F)c(F)c(F)c2)CCOCC1 ZINC000424753831 850674964 /nfs/dbraw/zinc/67/49/64/850674964.db2.gz BXCMGKLNFUCRLL-MJGOQNOKSA-N 1 2 396.453 3.728 20 30 GHEDLO C=CCC1(C(=O)N[C@@H]2CC[N@H+](CC)[C@H]2c2cc(F)c(F)c(F)c2)CCOCC1 ZINC000424753831 850674971 /nfs/dbraw/zinc/67/49/71/850674971.db2.gz BXCMGKLNFUCRLL-MJGOQNOKSA-N 1 2 396.453 3.728 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000909285395 850688683 /nfs/dbraw/zinc/68/86/83/850688683.db2.gz JFNMYERWBPEMCE-GOSISDBHSA-N 1 2 382.512 3.572 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)oc2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000436053465 851150575 /nfs/dbraw/zinc/15/05/75/851150575.db2.gz OCGJCBBZZYOKPJ-ROUUACIJSA-N 1 2 375.831 3.818 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)c2cc(C#N)oc2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000436053465 851150584 /nfs/dbraw/zinc/15/05/84/851150584.db2.gz OCGJCBBZZYOKPJ-ROUUACIJSA-N 1 2 375.831 3.818 20 30 GHEDLO CC[NH+](CC)[C@H](C(=O)OCC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1 ZINC000732349256 862219258 /nfs/dbraw/zinc/21/92/58/862219258.db2.gz KQXCJGMGUMJUDG-FQEVSTJZSA-N 1 2 399.878 3.776 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(c3nn4cc(C5CCCC5)nc4s3)CC2)cc1 ZINC000436187263 851293891 /nfs/dbraw/zinc/29/38/91/851293891.db2.gz KPYGLLJWDMMFAN-UHFFFAOYSA-N 1 2 392.532 3.642 20 30 GHEDLO C=CCOc1ccccc1CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000111478153 851685426 /nfs/dbraw/zinc/68/54/26/851685426.db2.gz HQHFTAMBGJRFBF-UHFFFAOYSA-N 1 2 380.423 3.576 20 30 GHEDLO CC[N@H+](Cc1cc(Br)ccc1F)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000488730359 851726672 /nfs/dbraw/zinc/72/66/72/851726672.db2.gz VETKYCIBTJGNOU-FZKQIMNGSA-N 1 2 398.320 3.853 20 30 GHEDLO CC[N@@H+](Cc1cc(Br)ccc1F)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000488730359 851726678 /nfs/dbraw/zinc/72/66/78/851726678.db2.gz VETKYCIBTJGNOU-FZKQIMNGSA-N 1 2 398.320 3.853 20 30 GHEDLO C[N@H+](Cc1ccc(Br)s1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000028748204 851997714 /nfs/dbraw/zinc/99/77/14/851997714.db2.gz WKRVYLOMSCGRJY-OAHLLOKOSA-N 1 2 390.306 3.620 20 30 GHEDLO C[N@@H+](Cc1ccc(Br)s1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000028748204 851997720 /nfs/dbraw/zinc/99/77/20/851997720.db2.gz WKRVYLOMSCGRJY-OAHLLOKOSA-N 1 2 390.306 3.620 20 30 GHEDLO C=CCCCS(=O)(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000489285065 852188095 /nfs/dbraw/zinc/18/80/95/852188095.db2.gz DIIGCCWDSMSQQL-UHFFFAOYSA-N 1 2 391.364 3.843 20 30 GHEDLO Cn1c(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)nnc1-c1ccccc1 ZINC000516200529 852262699 /nfs/dbraw/zinc/26/26/99/852262699.db2.gz PQPLOBHJMBMCDA-UHFFFAOYSA-N 1 2 391.450 3.536 20 30 GHEDLO COc1ccc(C[N@H+](C)CC(=O)N(CCC#N)c2ccc(C)c(C)c2)c(OC)c1 ZINC000028935479 852298142 /nfs/dbraw/zinc/29/81/42/852298142.db2.gz FCVOTTKOPCNFAQ-UHFFFAOYSA-N 1 2 395.503 3.699 20 30 GHEDLO COc1ccc(C[N@@H+](C)CC(=O)N(CCC#N)c2ccc(C)c(C)c2)c(OC)c1 ZINC000028935479 852298151 /nfs/dbraw/zinc/29/81/51/852298151.db2.gz FCVOTTKOPCNFAQ-UHFFFAOYSA-N 1 2 395.503 3.699 20 30 GHEDLO CC(=[NH+]Nc1ccc(Br)nc1)c1ccc(N2CCOCC2)cc1 ZINC000732713321 862440838 /nfs/dbraw/zinc/44/08/38/862440838.db2.gz XVAJIWUZOCXPSM-UHFFFAOYSA-N 1 2 375.270 3.517 20 30 GHEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425842002 853366545 /nfs/dbraw/zinc/36/65/45/853366545.db2.gz IUNSGYFRXZQETA-AZUAARDMSA-N 1 2 395.507 3.576 20 30 GHEDLO N#CC1CCC(CNC(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)CC1 ZINC000441002767 853820591 /nfs/dbraw/zinc/82/05/91/853820591.db2.gz WBBCVQASMHFAJS-JCYILVPMSA-N 1 2 390.478 3.558 20 30 GHEDLO N#CC1CCC(CNC(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)CC1 ZINC000441002767 853820600 /nfs/dbraw/zinc/82/06/00/853820600.db2.gz WBBCVQASMHFAJS-JCYILVPMSA-N 1 2 390.478 3.558 20 30 GHEDLO N#CCCCCCC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000588766565 854429484 /nfs/dbraw/zinc/42/94/84/854429484.db2.gz NWCINNSTEJEGFO-UHFFFAOYSA-N 1 2 393.285 3.741 20 30 GHEDLO CNC(=O)c1cccc(NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1C ZINC000328662113 854493905 /nfs/dbraw/zinc/49/39/05/854493905.db2.gz XDVYZDJAIVSSDV-MRXNPFEDSA-N 1 2 395.507 3.887 20 30 GHEDLO O=C(N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCc2ccc(F)cc2C1)C1CCCCC1 ZINC000328772154 854535733 /nfs/dbraw/zinc/53/57/33/854535733.db2.gz JPUOAHQYXBGDLD-FQEVSTJZSA-N 1 2 398.482 3.582 20 30 GHEDLO O=C(N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCc2ccc(F)cc2C1)C1CCCCC1 ZINC000328772154 854535736 /nfs/dbraw/zinc/53/57/36/854535736.db2.gz JPUOAHQYXBGDLD-FQEVSTJZSA-N 1 2 398.482 3.582 20 30 GHEDLO CC(C)C(=O)N1CCC[C@@H]1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000328814220 854546647 /nfs/dbraw/zinc/54/66/47/854546647.db2.gz NSKSOIVMQCQQFS-LJQANCHMSA-N 1 2 378.476 3.837 20 30 GHEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2coc(C3CCOCC3)n2)C[C@H](C)O1 ZINC000328786852 854557172 /nfs/dbraw/zinc/55/71/72/854557172.db2.gz JGSMNGGVHJUCFN-HOTGVXAUSA-N 1 2 399.491 3.814 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)NCc2ncc(C(C)(C)C)o2)[C@@H]1c1ccc(F)c(F)c1 ZINC000328955869 854616106 /nfs/dbraw/zinc/61/61/06/854616106.db2.gz ZDKOIFKOVREITH-YJBOKZPZSA-N 1 2 392.450 3.699 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)NCc2ncc(C(C)(C)C)o2)[C@@H]1c1ccc(F)c(F)c1 ZINC000328955869 854616108 /nfs/dbraw/zinc/61/61/08/854616108.db2.gz ZDKOIFKOVREITH-YJBOKZPZSA-N 1 2 392.450 3.699 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C[N@@H+]1CCOCC12CCCC2 ZINC000328957352 854616386 /nfs/dbraw/zinc/61/63/86/854616386.db2.gz ZPWIEIKTKVIYMY-UHFFFAOYSA-N 1 2 382.508 3.591 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C[N@H+]1CCOCC12CCCC2 ZINC000328957352 854616391 /nfs/dbraw/zinc/61/63/91/854616391.db2.gz ZPWIEIKTKVIYMY-UHFFFAOYSA-N 1 2 382.508 3.591 20 30 GHEDLO Cc1noc([C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)C2)n1 ZINC000328997215 854645669 /nfs/dbraw/zinc/64/56/69/854645669.db2.gz KDPQGBQZJXDSLN-YPMHNXCESA-N 1 2 385.493 3.656 20 30 GHEDLO Cc1noc([C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)C2)n1 ZINC000328997215 854645674 /nfs/dbraw/zinc/64/56/74/854645674.db2.gz KDPQGBQZJXDSLN-YPMHNXCESA-N 1 2 385.493 3.656 20 30 GHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@@H](C)Oc2ccccc2C#N)c(C)c1 ZINC000441505783 855507774 /nfs/dbraw/zinc/50/77/74/855507774.db2.gz YXIPWVSWBSNZNL-NQIIRXRSSA-N 1 2 388.471 3.697 20 30 GHEDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000330264551 862705176 /nfs/dbraw/zinc/70/51/76/862705176.db2.gz YBUXYUQAWZTLRV-AQNXPRMDSA-N 1 2 392.503 3.979 20 30 GHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCC[C@@H]3COC[C@@H]32)c1C#N ZINC000590972340 855681110 /nfs/dbraw/zinc/68/11/10/855681110.db2.gz JFZQIRAIAZPYHI-XLIONFOSSA-N 1 2 384.524 3.531 20 30 GHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCC[C@@H]3COC[C@@H]32)c1C#N ZINC000590972340 855681115 /nfs/dbraw/zinc/68/11/15/855681115.db2.gz JFZQIRAIAZPYHI-XLIONFOSSA-N 1 2 384.524 3.531 20 30 GHEDLO Cc1nc(SCC(=O)Nc2cccc(-n3cc[nH+]c3)c2)c(C#N)c(C)c1C ZINC000046118700 856505326 /nfs/dbraw/zinc/50/53/26/856505326.db2.gz UQRGPGSYUSUBIG-UHFFFAOYSA-N 1 2 377.473 3.795 20 30 GHEDLO Cc1cc([NH+]2CCCCCC2)ccc1NS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000427794296 856722828 /nfs/dbraw/zinc/72/28/28/856722828.db2.gz STLZEAOFWOQLDY-UHFFFAOYSA-N 1 2 384.505 3.751 20 30 GHEDLO CC(C)C[C@H](NC(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1)c1ccccc1 ZINC000574174115 857260934 /nfs/dbraw/zinc/26/09/34/857260934.db2.gz HQUNCJQJPAYNLS-NRFANRHFSA-N 1 2 390.531 3.842 20 30 GHEDLO C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000046345095 857504926 /nfs/dbraw/zinc/50/49/26/857504926.db2.gz BFEGEOUIUWUYSR-FGTMMUONSA-N 1 2 393.487 3.573 20 30 GHEDLO C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000046345095 857504936 /nfs/dbraw/zinc/50/49/36/857504936.db2.gz BFEGEOUIUWUYSR-FGTMMUONSA-N 1 2 393.487 3.573 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)Nc2nc(Cl)c(C#N)s2)[C@@H]1c1ccc(F)c(F)c1 ZINC000888419021 857637026 /nfs/dbraw/zinc/63/70/26/857637026.db2.gz GOCCFYGYVQTTJX-YPMHNXCESA-N 1 2 397.838 3.513 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)Nc2nc(Cl)c(C#N)s2)[C@@H]1c1ccc(F)c(F)c1 ZINC000888419021 857637030 /nfs/dbraw/zinc/63/70/30/857637030.db2.gz GOCCFYGYVQTTJX-YPMHNXCESA-N 1 2 397.838 3.513 20 30 GHEDLO C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000593743979 857673543 /nfs/dbraw/zinc/67/35/43/857673543.db2.gz LGOPRVWFHVGRIM-AWEZNQCLSA-N 1 2 390.409 3.722 20 30 GHEDLO COc1c(C)c[nH+]c(CN(C)C(=O)CSc2nc(C)c(C)c(C)c2C#N)c1C ZINC000058958498 857820840 /nfs/dbraw/zinc/82/08/40/857820840.db2.gz AULBXWFOAVRWIJ-UHFFFAOYSA-N 1 2 398.532 3.650 20 30 GHEDLO C[C@@H](Cc1ccc(C#N)cc1)c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000594581388 858229219 /nfs/dbraw/zinc/22/92/19/858229219.db2.gz SCIYKGAEXYXGLU-KRWDZBQOSA-N 1 2 388.471 3.787 20 30 GHEDLO COC[C@@H]([NH2+]Cc1cc(C#N)ccc1Br)c1cccc(OC)c1 ZINC000595685354 858646972 /nfs/dbraw/zinc/64/69/72/858646972.db2.gz WOPJHMWCRGYHRQ-GOSISDBHSA-N 1 2 375.266 3.807 20 30 GHEDLO CC[C@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1nnc2n1CCCCC2 ZINC000595799409 858679034 /nfs/dbraw/zinc/67/90/34/858679034.db2.gz DJJSKJLNGNMZHG-HNNXBMFYSA-N 1 2 375.423 3.718 20 30 GHEDLO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC3(C=Cc4ccccc4O3)CC2)C1=O ZINC000595879890 858704165 /nfs/dbraw/zinc/70/41/65/858704165.db2.gz WIKBJCNFHJGXDY-SFHVURJKSA-N 1 2 391.496 3.665 20 30 GHEDLO CCCCCc1nnc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)s1 ZINC000543251253 859026786 /nfs/dbraw/zinc/02/67/86/859026786.db2.gz YMLXUQXIZMGWOI-UHFFFAOYSA-N 1 2 383.521 3.746 20 30 GHEDLO CCCCCc1nnc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)s1 ZINC000543251253 859026798 /nfs/dbraw/zinc/02/67/98/859026798.db2.gz YMLXUQXIZMGWOI-UHFFFAOYSA-N 1 2 383.521 3.746 20 30 GHEDLO N#CC1(CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CCCCC1 ZINC000596861188 859142082 /nfs/dbraw/zinc/14/20/82/859142082.db2.gz FDRYDRUBGGUZCK-WOJBJXKFSA-N 1 2 377.492 3.885 20 30 GHEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000474155252 859354348 /nfs/dbraw/zinc/35/43/48/859354348.db2.gz QTZPSNNRKSJSIG-QWFCFKBJSA-N 1 2 382.907 3.959 20 30 GHEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000474155252 859354362 /nfs/dbraw/zinc/35/43/62/859354362.db2.gz QTZPSNNRKSJSIG-QWFCFKBJSA-N 1 2 382.907 3.959 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+]2CC[C@H](c3ccccc3C)C2)c1=S ZINC000764963337 859710599 /nfs/dbraw/zinc/71/05/99/859710599.db2.gz LZUMQNCYJTUZFW-KRWDZBQOSA-N 1 2 392.532 3.813 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+]2CC[C@H](c3ccccc3C)C2)c1=S ZINC000764963337 859710606 /nfs/dbraw/zinc/71/06/06/859710606.db2.gz LZUMQNCYJTUZFW-KRWDZBQOSA-N 1 2 392.532 3.813 20 30 GHEDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611552533 859808832 /nfs/dbraw/zinc/80/88/32/859808832.db2.gz CJZPSOJFNGZDSE-IERDGZPVSA-N 1 2 382.439 3.986 20 30 GHEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2cnc(-c3ccccn3)s2)CC1 ZINC000091918365 859958215 /nfs/dbraw/zinc/95/82/15/859958215.db2.gz MZXSMBBZWKEJAV-UHFFFAOYSA-N 1 2 379.464 3.538 20 30 GHEDLO CCCCN1C(=O)C2(CCCCC2)[NH2+]C12CCN(c1ccc(C#N)cc1)CC2 ZINC000602755682 860259565 /nfs/dbraw/zinc/25/95/65/860259565.db2.gz IOJPVKDXVNXDRJ-UHFFFAOYSA-N 1 2 380.536 3.790 20 30 GHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000155357477 860487274 /nfs/dbraw/zinc/48/72/74/860487274.db2.gz QPROQXMJMDCFRC-FXAWDEMLSA-N 1 2 395.528 3.987 20 30 GHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000155357477 860487279 /nfs/dbraw/zinc/48/72/79/860487279.db2.gz QPROQXMJMDCFRC-FXAWDEMLSA-N 1 2 395.528 3.987 20 30 GHEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2nc(C)no2)C1 ZINC000329068123 860991066 /nfs/dbraw/zinc/99/10/66/860991066.db2.gz XJBUEVYCZUUZIP-YPMHNXCESA-N 1 2 378.860 3.814 20 30 GHEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](c2nc(C)no2)C1 ZINC000329068123 860991071 /nfs/dbraw/zinc/99/10/71/860991071.db2.gz XJBUEVYCZUUZIP-YPMHNXCESA-N 1 2 378.860 3.814 20 30 GHEDLO O=C(C[N@@H+]1CCCN(C(=O)CC2CCCC2)CC1)N[C@H]1CCOc2ccccc21 ZINC000329164717 861090900 /nfs/dbraw/zinc/09/09/00/861090900.db2.gz GYCJNZVMUBPKLH-FQEVSTJZSA-N 1 2 399.535 3.581 20 30 GHEDLO O=C(C[N@H+]1CCCN(C(=O)CC2CCCC2)CC1)N[C@H]1CCOc2ccccc21 ZINC000329164717 861090914 /nfs/dbraw/zinc/09/09/14/861090914.db2.gz GYCJNZVMUBPKLH-FQEVSTJZSA-N 1 2 399.535 3.581 20 30 GHEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)[C@H]2CCCc3ccccc32)CCC(=O)N1C1CC1 ZINC000329165752 861092229 /nfs/dbraw/zinc/09/22/29/861092229.db2.gz HJIIAVTWNQFGJX-NNMXDRDESA-N 1 2 392.503 3.691 20 30 GHEDLO C#CCOc1ccccc1[C@@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000730424127 861105504 /nfs/dbraw/zinc/10/55/04/861105504.db2.gz PXHRBIUQACPZRG-OAHLLOKOSA-N 1 2 391.383 3.711 20 30 GHEDLO C=CC[N@H+](CC(=O)Nc1ccc(N2CCCCC2)nc1)Cc1cccc(C#N)c1 ZINC000182102155 863122806 /nfs/dbraw/zinc/12/28/06/863122806.db2.gz MBEBUWNSJXZHBM-UHFFFAOYSA-N 1 2 389.503 3.570 20 30 GHEDLO C=CC[N@@H+](CC(=O)Nc1ccc(N2CCCCC2)nc1)Cc1cccc(C#N)c1 ZINC000182102155 863122816 /nfs/dbraw/zinc/12/28/16/863122816.db2.gz MBEBUWNSJXZHBM-UHFFFAOYSA-N 1 2 389.503 3.570 20 30 GHEDLO C#CC[C@@H](NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000281756816 863362438 /nfs/dbraw/zinc/36/24/38/863362438.db2.gz CHQJQRWKMNHXPD-PZJWPPBQSA-N 1 2 376.504 3.873 20 30 GHEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000593974484 863589235 /nfs/dbraw/zinc/58/92/35/863589235.db2.gz CPSCZKNWAOMUHK-ROUUACIJSA-N 1 2 377.488 3.769 20 30 GHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H](C)Cc1ccc(C#N)cc1 ZINC000593986704 863668063 /nfs/dbraw/zinc/66/80/63/863668063.db2.gz HXOXIHDJCUARDA-IBGZPJMESA-N 1 2 390.531 3.897 20 30 GHEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000606841638 863872266 /nfs/dbraw/zinc/87/22/66/863872266.db2.gz CVHGCLASRVSSBZ-OAHLLOKOSA-N 1 2 379.382 3.944 20 30 GHEDLO C[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)[C@@H]1CCc2ccccc2C1 ZINC000734001317 863911763 /nfs/dbraw/zinc/91/17/63/863911763.db2.gz AMYSNCIQPOPXGI-MSOLQXFVSA-N 1 2 375.497 3.962 20 30 GHEDLO C[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)[C@@H]1CCc2ccccc2C1 ZINC000734001317 863911774 /nfs/dbraw/zinc/91/17/74/863911774.db2.gz AMYSNCIQPOPXGI-MSOLQXFVSA-N 1 2 375.497 3.962 20 30 GHEDLO Cc1sc(NC(=O)C[NH2+][C@@H](COCC(C)C)c2ccco2)c(C#N)c1C ZINC000184213310 864200156 /nfs/dbraw/zinc/20/01/56/864200156.db2.gz QMJJEECEXNWSSL-INIZCTEOSA-N 1 2 375.494 3.772 20 30 GHEDLO C[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccc(C(F)(F)F)nc1Cl ZINC000856779127 881740098 /nfs/dbraw/zinc/74/00/98/881740098.db2.gz TYVMSEDKWRJHOY-QMMMGPOBSA-N 1 2 388.802 3.976 20 30 GHEDLO CCc1ncc(C[NH+]2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)cn1 ZINC000897053943 864369586 /nfs/dbraw/zinc/36/95/86/864369586.db2.gz DKKBWLFAKZQAMZ-NXEZZACHSA-N 1 2 389.290 3.642 20 30 GHEDLO CCn1nccc1C[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000897054516 864370100 /nfs/dbraw/zinc/37/01/00/864370100.db2.gz ICICNIUKBGEVGT-UWVGGRQHSA-N 1 2 377.279 3.506 20 30 GHEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCCOc3ccccc3C)c2)n1 ZINC000072073229 864434646 /nfs/dbraw/zinc/43/46/46/864434646.db2.gz JBJLPLXWWIXHJB-UHFFFAOYSA-N 1 2 378.476 3.573 20 30 GHEDLO C=CC[N@@H+](CC(=O)Nc1ccc2c(c1)OC(F)(F)O2)Cc1cccc(C#N)c1 ZINC000063300877 864505007 /nfs/dbraw/zinc/50/50/07/864505007.db2.gz WGDBAZYMZGDWLJ-UHFFFAOYSA-N 1 2 385.370 3.506 20 30 GHEDLO C=CC[N@H+](CC(=O)Nc1ccc2c(c1)OC(F)(F)O2)Cc1cccc(C#N)c1 ZINC000063300877 864505013 /nfs/dbraw/zinc/50/50/13/864505013.db2.gz WGDBAZYMZGDWLJ-UHFFFAOYSA-N 1 2 385.370 3.506 20 30 GHEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCc3c(Cl)cc(Cl)cc3C2)cc1 ZINC000480366181 864560014 /nfs/dbraw/zinc/56/00/14/864560014.db2.gz PVGVNNLGAJLBOZ-MRXNPFEDSA-N 1 2 377.271 3.663 20 30 GHEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCc3c(Cl)cc(Cl)cc3C2)cc1 ZINC000480366181 864560026 /nfs/dbraw/zinc/56/00/26/864560026.db2.gz PVGVNNLGAJLBOZ-MRXNPFEDSA-N 1 2 377.271 3.663 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)cc1 ZINC000738319905 865529777 /nfs/dbraw/zinc/52/97/77/865529777.db2.gz MENPEOAIWGHEHX-FUHWJXTLSA-N 1 2 397.441 3.674 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)cc1 ZINC000738319905 865529780 /nfs/dbraw/zinc/52/97/80/865529780.db2.gz MENPEOAIWGHEHX-FUHWJXTLSA-N 1 2 397.441 3.674 20 30 GHEDLO N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000428345054 865592902 /nfs/dbraw/zinc/59/29/02/865592902.db2.gz BGLWEEZTXPUMBL-SFHVURJKSA-N 1 2 388.496 3.792 20 30 GHEDLO C=CCCC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000608804466 865705983 /nfs/dbraw/zinc/70/59/83/865705983.db2.gz IXFXWAGQTZUFHO-UHFFFAOYSA-N 1 2 385.489 3.934 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)Cc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000456026739 866035514 /nfs/dbraw/zinc/03/55/14/866035514.db2.gz XEHBBIZSSZCWGY-NHCUHLMSSA-N 1 2 397.469 3.967 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)C(C)(C)Cc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000456026739 866035530 /nfs/dbraw/zinc/03/55/30/866035530.db2.gz XEHBBIZSSZCWGY-NHCUHLMSSA-N 1 2 397.469 3.967 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)c2ncc(C#N)cc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534394389 866680091 /nfs/dbraw/zinc/68/00/91/866680091.db2.gz DUPDWRRFLMTIFJ-WBVHZDCISA-N 1 2 393.249 3.574 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)c2ncc(C#N)cc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534394389 866680095 /nfs/dbraw/zinc/68/00/95/866680095.db2.gz DUPDWRRFLMTIFJ-WBVHZDCISA-N 1 2 393.249 3.574 20 30 GHEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444688858 867067482 /nfs/dbraw/zinc/06/74/82/867067482.db2.gz DLIAPPRUYPJDLN-CQSZACIVSA-N 1 2 375.394 3.871 20 30 GHEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444688858 867067494 /nfs/dbraw/zinc/06/74/94/867067494.db2.gz DLIAPPRUYPJDLN-CQSZACIVSA-N 1 2 375.394 3.871 20 30 GHEDLO N#Cc1cnc2c(Br)cccc2c1N1CCN(c2cccc[nH+]2)CC1 ZINC000440642231 867696107 /nfs/dbraw/zinc/69/61/07/867696107.db2.gz CODCNXPZZZSIKV-UHFFFAOYSA-N 1 2 394.276 3.591 20 30 GHEDLO CS(=O)(=O)c1cccc([C@H]([NH2+]CC#Cc2ccccc2)c2ccc(F)cc2)c1 ZINC000479483449 867851212 /nfs/dbraw/zinc/85/12/12/867851212.db2.gz WXYQAOCADAVETE-HSZRJFAPSA-N 1 2 393.483 3.960 20 30 GHEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1 ZINC000535175176 868321758 /nfs/dbraw/zinc/32/17/58/868321758.db2.gz ULSHLIMASKPNLF-IBGZPJMESA-N 1 2 386.455 3.908 20 30 GHEDLO C=CCOc1ccc(C(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cc1OC ZINC000156574603 868404204 /nfs/dbraw/zinc/40/42/04/868404204.db2.gz FWRUEIHEERRCNG-MRXNPFEDSA-N 1 2 386.517 3.841 20 30 GHEDLO OC[C@@H]1C[N@H+](Cc2cc(F)c(C(F)(F)F)cc2F)CC[C@H]1C(F)(F)F ZINC000553899962 868416870 /nfs/dbraw/zinc/41/68/70/868416870.db2.gz UYZOFHVSSGCWIS-VHSXEESVSA-N 1 2 377.275 3.976 20 30 GHEDLO OC[C@@H]1C[N@@H+](Cc2cc(F)c(C(F)(F)F)cc2F)CC[C@H]1C(F)(F)F ZINC000553899962 868416876 /nfs/dbraw/zinc/41/68/76/868416876.db2.gz UYZOFHVSSGCWIS-VHSXEESVSA-N 1 2 377.275 3.976 20 30 GHEDLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000535275171 868506961 /nfs/dbraw/zinc/50/69/61/868506961.db2.gz KVUMHJORZQNFJF-FQEVSTJZSA-N 1 2 387.439 3.647 20 30 GHEDLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000535275171 868506970 /nfs/dbraw/zinc/50/69/70/868506970.db2.gz KVUMHJORZQNFJF-FQEVSTJZSA-N 1 2 387.439 3.647 20 30 GHEDLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(CC#N)cc1 ZINC000535434758 868759082 /nfs/dbraw/zinc/75/90/82/868759082.db2.gz DDCZIFKXOKVBNK-WZONZLPQSA-N 1 2 390.531 3.829 20 30 GHEDLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(CC#N)cc1 ZINC000535434758 868759094 /nfs/dbraw/zinc/75/90/94/868759094.db2.gz DDCZIFKXOKVBNK-WZONZLPQSA-N 1 2 390.531 3.829 20 30 GHEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000744411829 868820353 /nfs/dbraw/zinc/82/03/53/868820353.db2.gz STQJEGBFZQLRNL-HRAATJIYSA-N 1 2 397.906 3.805 20 30 GHEDLO Cc1nc(C(C)(C)[NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)sc1C ZINC000744424860 868828412 /nfs/dbraw/zinc/82/84/12/868828412.db2.gz YLIFVFWZCRFLIC-HNNXBMFYSA-N 1 2 391.500 3.822 20 30 GHEDLO C[C@H](C(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)c1cccc(C#N)c1 ZINC000462552309 869665014 /nfs/dbraw/zinc/66/50/14/869665014.db2.gz ODJVHVRROIAXEY-SNRMKQJTSA-N 1 2 385.508 3.794 20 30 GHEDLO C[C@H](C(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)c1cccc(C#N)c1 ZINC000462552309 869665022 /nfs/dbraw/zinc/66/50/22/869665022.db2.gz ODJVHVRROIAXEY-SNRMKQJTSA-N 1 2 385.508 3.794 20 30 GHEDLO Cc1nn(-c2ccccn2)c(Cl)c1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367316878 869771057 /nfs/dbraw/zinc/77/10/57/869771057.db2.gz FNWBUMYBPPUWIL-UHFFFAOYSA-N 1 2 392.894 3.682 20 30 GHEDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000539835330 869875863 /nfs/dbraw/zinc/87/58/63/869875863.db2.gz YIGXFFCIDRWAEN-OAQYLSRUSA-N 1 2 395.457 3.753 20 30 GHEDLO CCC[N@H+](CC#Cc1ccc(F)cc1)CC(=O)Nc1ccc(F)c(F)c1F ZINC000446762842 870313754 /nfs/dbraw/zinc/31/37/54/870313754.db2.gz WIFUYPSMQBCQLZ-UHFFFAOYSA-N 1 2 378.369 3.945 20 30 GHEDLO CCC[N@@H+](CC#Cc1ccc(F)cc1)CC(=O)Nc1ccc(F)c(F)c1F ZINC000446762842 870313763 /nfs/dbraw/zinc/31/37/63/870313763.db2.gz WIFUYPSMQBCQLZ-UHFFFAOYSA-N 1 2 378.369 3.945 20 30 GHEDLO C#CCCCCCC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000804268955 870663261 /nfs/dbraw/zinc/66/32/61/870663261.db2.gz OVOROWDGEAEEHP-UHFFFAOYSA-N 1 2 392.297 3.851 20 30 GHEDLO Oc1c(Cl)cc(Cl)cc1/C=N\CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000920944069 882465388 /nfs/dbraw/zinc/46/53/88/882465388.db2.gz OQHPKSAALKRIPI-UCQKPKSFSA-N 1 2 392.330 3.936 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)Nc2cccc(C#N)c2)[C@H](C)C1 ZINC000441271385 871655452 /nfs/dbraw/zinc/65/54/52/871655452.db2.gz WJUKIWGNNNSCMS-QGZVFWFLSA-N 1 2 378.476 3.695 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)Nc2cccc(C#N)c2)[C@H](C)C1 ZINC000441271385 871655477 /nfs/dbraw/zinc/65/54/77/871655477.db2.gz WJUKIWGNNNSCMS-QGZVFWFLSA-N 1 2 378.476 3.695 20 30 GHEDLO C[N@@H+]1CCOC[C@H]1CNc1ccc(N=C(c2ccccc2)c2ccccc2)nc1 ZINC001169661339 871727631 /nfs/dbraw/zinc/72/76/31/871727631.db2.gz YDRIVMACLAKLID-JOCHJYFZSA-N 1 2 386.499 3.993 20 30 GHEDLO C[N@H+]1CCOC[C@H]1CNc1ccc(N=C(c2ccccc2)c2ccccc2)nc1 ZINC001169661339 871727641 /nfs/dbraw/zinc/72/76/41/871727641.db2.gz YDRIVMACLAKLID-JOCHJYFZSA-N 1 2 386.499 3.993 20 30 GHEDLO Cc1cc(C#N)c(F)cc1NC(=O)c1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC001194691187 871888746 /nfs/dbraw/zinc/88/87/46/871888746.db2.gz FTSYATXNUITTKN-UHFFFAOYSA-N 1 2 386.858 3.663 20 30 GHEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(NC[C@@H](CO)Cc2ccccc2)[nH+]1 ZINC001169897525 871986195 /nfs/dbraw/zinc/98/61/95/871986195.db2.gz GCSMQPZDARWVFW-FHIRHSSASA-N 1 2 387.549 3.534 20 30 GHEDLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000775615576 871986639 /nfs/dbraw/zinc/98/66/39/871986639.db2.gz PIIVHJMCPHFSPE-LPHOPBHVSA-N 1 2 387.524 3.602 20 30 GHEDLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000775615576 871986651 /nfs/dbraw/zinc/98/66/51/871986651.db2.gz PIIVHJMCPHFSPE-LPHOPBHVSA-N 1 2 387.524 3.602 20 30 GHEDLO N#C[C@H]1C[N@@H+](CCCc2c(F)cccc2Cl)C[C@]12C(=O)Nc1ccccc12 ZINC000447728033 872167193 /nfs/dbraw/zinc/16/71/93/872167193.db2.gz KKKPPPOKPPCOKI-QKKBWIMNSA-N 1 2 383.854 3.757 20 30 GHEDLO N#C[C@H]1C[N@H+](CCCc2c(F)cccc2Cl)C[C@]12C(=O)Nc1ccccc12 ZINC000447728033 872167200 /nfs/dbraw/zinc/16/72/00/872167200.db2.gz KKKPPPOKPPCOKI-QKKBWIMNSA-N 1 2 383.854 3.757 20 30 GHEDLO C=CCCOc1ccc(C(=O)NCc2c[nH+]cn2Cc2ccccc2OC)cc1 ZINC001195142366 872197475 /nfs/dbraw/zinc/19/74/75/872197475.db2.gz PKYGIRNGPPTODF-UHFFFAOYSA-N 1 2 391.471 3.825 20 30 GHEDLO C=CCN1CC[C@@H]([NH+]2CCN(c3cc(Cl)c(Cl)c(Cl)c3)CC2)C1=O ZINC001195614402 872538650 /nfs/dbraw/zinc/53/86/50/872538650.db2.gz WLIDCUSKEXBQQJ-OAHLLOKOSA-N 1 2 388.726 3.556 20 30 GHEDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000767686076 872766936 /nfs/dbraw/zinc/76/69/36/872766936.db2.gz YUSAJPQWYHJBOG-FQEVSTJZSA-N 1 2 377.492 3.986 20 30 GHEDLO N#Cc1sccc1N1CC[NH+](C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC001196083540 872869798 /nfs/dbraw/zinc/86/97/98/872869798.db2.gz QXJROQYJDMBCMS-INIZCTEOSA-N 1 2 382.316 3.782 20 30 GHEDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC001196769737 873378009 /nfs/dbraw/zinc/37/80/09/873378009.db2.gz ANHMDSVJXOAESJ-CJNGLKHVSA-N 1 2 379.888 3.730 20 30 GHEDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC001196769737 873378019 /nfs/dbraw/zinc/37/80/19/873378019.db2.gz ANHMDSVJXOAESJ-CJNGLKHVSA-N 1 2 379.888 3.730 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3CC[C@H]3c3ccc(F)cc3)CC2)cc1 ZINC000527684461 873490092 /nfs/dbraw/zinc/49/00/92/873490092.db2.gz KEYQNORAMFACIG-VXKWHMMOSA-N 1 2 377.463 3.535 20 30 GHEDLO N#Cc1cccc(NC(=S)NC2CC[NH+](Cc3c(F)cccc3F)CC2)c1 ZINC001197736214 874016694 /nfs/dbraw/zinc/01/66/94/874016694.db2.gz NBWHKMAORWWEQW-UHFFFAOYSA-N 1 2 386.471 3.787 20 30 GHEDLO Cc1nc(C)c(CO[NH+]=C(N)c2ccc(CNC(=O)OC(C)(C)C)cc2)s1 ZINC000769842648 874319330 /nfs/dbraw/zinc/31/93/30/874319330.db2.gz OFINKHHISLTANB-UHFFFAOYSA-N 1 2 390.509 3.622 20 30 GHEDLO C[NH+](C)Cc1nc(CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)co1 ZINC001198984708 874740971 /nfs/dbraw/zinc/74/09/71/874740971.db2.gz GWNBBWJLJBTLPL-UHFFFAOYSA-N 1 2 391.431 3.722 20 30 GHEDLO C[NH+](C)Cc1nc(CSCCNc2ncc3ccccc3c2C#N)cs1 ZINC001168108761 874772938 /nfs/dbraw/zinc/77/29/38/874772938.db2.gz FRKBLEDPCIFNKW-UHFFFAOYSA-N 1 2 383.546 3.970 20 30 GHEDLO COc1cc(NCCSCc2csc(C[NH+](C)C)n2)ccc1CC#N ZINC001168108728 874773265 /nfs/dbraw/zinc/77/32/65/874773265.db2.gz SGELUHTYYGWLDO-UHFFFAOYSA-N 1 2 376.551 3.625 20 30 GHEDLO C=CC[N@H+](CCc1ccco1)CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000491342781 875538768 /nfs/dbraw/zinc/53/87/68/875538768.db2.gz KPSKPKBBCXPPBD-IBGZPJMESA-N 1 2 393.443 3.874 20 30 GHEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000491342781 875538775 /nfs/dbraw/zinc/53/87/75/875538775.db2.gz KPSKPKBBCXPPBD-IBGZPJMESA-N 1 2 393.443 3.874 20 30 GHEDLO COc1cc(OC)c(OC)cc1C[NH2+]Cc1cc(C#N)ccc1Br ZINC000921490372 883012025 /nfs/dbraw/zinc/01/20/25/883012025.db2.gz HGIFOMUIMBXIQD-UHFFFAOYSA-N 1 2 391.265 3.636 20 30 GHEDLO CC1(C)Cc2cccc(NC(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)c2O1 ZINC000530556417 878053180 /nfs/dbraw/zinc/05/31/80/878053180.db2.gz RTTOKLYXIQWJRC-UHFFFAOYSA-N 1 2 390.487 3.621 20 30 GHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550406 878130370 /nfs/dbraw/zinc/13/03/70/878130370.db2.gz ROGBCBSIUSKIGJ-AZUAARDMSA-N 1 2 379.416 3.560 20 30 GHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550406 878130379 /nfs/dbraw/zinc/13/03/79/878130379.db2.gz ROGBCBSIUSKIGJ-AZUAARDMSA-N 1 2 379.416 3.560 20 30 GHEDLO CC[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(OC)c(OC)c1 ZINC000285510773 912319256 /nfs/dbraw/zinc/31/92/56/912319256.db2.gz QXHJMNSBWHMTHF-QGZVFWFLSA-N 1 2 378.432 3.866 20 30 GHEDLO C#CCOc1ccc(NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000788598828 878197313 /nfs/dbraw/zinc/19/73/13/878197313.db2.gz MPNMYFDXDHXYRV-UHFFFAOYSA-N 1 2 378.476 3.643 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@@H](C2CC[NH+](Cc3nc(C#N)cs3)CC2)C1 ZINC000852294599 878204128 /nfs/dbraw/zinc/20/41/28/878204128.db2.gz CDOUMGMFXRYKKL-MRXNPFEDSA-N 1 2 390.553 3.874 20 30 GHEDLO FC(F)(F)CCO[NH+]=Cc1ccc(Br)cc1N1CCOCC1 ZINC000788726426 878278808 /nfs/dbraw/zinc/27/88/08/878278808.db2.gz RHZRJBOGZTWNBY-UHFFFAOYSA-N 1 2 381.192 3.589 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000451658491 878304725 /nfs/dbraw/zinc/30/47/25/878304725.db2.gz XSVWJTHNEZAOQW-WMLDXEAASA-N 1 2 375.563 3.704 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCSC[C@@H]1C1CC1 ZINC000451658491 878304741 /nfs/dbraw/zinc/30/47/41/878304741.db2.gz XSVWJTHNEZAOQW-WMLDXEAASA-N 1 2 375.563 3.704 20 30 GHEDLO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3c(Cl)cncc3Cl)C2)C1 ZINC001137603354 878774683 /nfs/dbraw/zinc/77/46/83/878774683.db2.gz KSZIVAOGNRTFIT-SFHVURJKSA-N 1 2 384.307 3.999 20 30 GHEDLO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](Cc3c(Cl)cncc3Cl)C2)C1 ZINC001137603354 878774700 /nfs/dbraw/zinc/77/47/00/878774700.db2.gz KSZIVAOGNRTFIT-SFHVURJKSA-N 1 2 384.307 3.999 20 30 GHEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cc(=O)oc3cc(CC)c(Cl)cc23)n1 ZINC000789332980 878865013 /nfs/dbraw/zinc/86/50/13/878865013.db2.gz YXVVDNRVOMZVMJ-UHFFFAOYSA-N 1 2 383.879 3.861 20 30 GHEDLO C#CCn1ccc(C[N@H+](CC)Cc2cc(=O)oc3cc(CC)c(Cl)cc23)n1 ZINC000789332980 878865033 /nfs/dbraw/zinc/86/50/33/878865033.db2.gz YXVVDNRVOMZVMJ-UHFFFAOYSA-N 1 2 383.879 3.861 20 30 GHEDLO O=[N+]([O-])c1cc(F)ccc1CO[NH+]=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000853640631 879198026 /nfs/dbraw/zinc/19/80/26/879198026.db2.gz NWEHAGOKMBTRJE-UHFFFAOYSA-N 1 2 388.355 3.793 20 30 GHEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)n1 ZINC000789758331 879237501 /nfs/dbraw/zinc/23/75/01/879237501.db2.gz JXIAGEJSIFLGAZ-UHFFFAOYSA-N 1 2 394.519 3.836 20 30 GHEDLO C#CCn1ccc(C[N@H+](CC)Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)n1 ZINC000789758331 879237513 /nfs/dbraw/zinc/23/75/13/879237513.db2.gz JXIAGEJSIFLGAZ-UHFFFAOYSA-N 1 2 394.519 3.836 20 30 GHEDLO Cc1[nH+]cn(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3C#N)cc2)c1C ZINC000461185917 879341443 /nfs/dbraw/zinc/34/14/43/879341443.db2.gz MSQRDMBWUCJVCH-UHFFFAOYSA-N 1 2 386.864 3.815 20 30 GHEDLO Cc1noc([C@H]2CCCC[N@@H+]2CCC(=O)Nc2sc3c(c2C#N)CCCC3)n1 ZINC000285802377 912446764 /nfs/dbraw/zinc/44/67/64/912446764.db2.gz VJCDGJPEJPNALS-MRXNPFEDSA-N 1 2 399.520 3.746 20 30 GHEDLO Cc1noc([C@H]2CCCC[N@H+]2CCC(=O)Nc2sc3c(c2C#N)CCCC3)n1 ZINC000285802377 912446780 /nfs/dbraw/zinc/44/67/80/912446780.db2.gz VJCDGJPEJPNALS-MRXNPFEDSA-N 1 2 399.520 3.746 20 30 GHEDLO COc1ccccc1-c1ccnc(C2CC[NH+](C[C@H](C#N)CCC#N)CC2)n1 ZINC000854096872 879525647 /nfs/dbraw/zinc/52/56/47/879525647.db2.gz VALUITVJSJVVBO-KRWDZBQOSA-N 1 2 375.476 3.775 20 30 GHEDLO N#Cc1cc(S(=O)(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)ccc1F ZINC000790424161 879705272 /nfs/dbraw/zinc/70/52/72/879705272.db2.gz OIOOUOVSVKFEAE-UHFFFAOYSA-N 1 2 397.431 3.665 20 30 GHEDLO C=C(C)COCC[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F ZINC000494020687 879831428 /nfs/dbraw/zinc/83/14/28/879831428.db2.gz OEBHBEQORUEOFK-HXUWFJFHSA-N 1 2 395.471 3.640 20 30 GHEDLO C=CCN1CC[C@H]([NH2+][C@H](c2ccc3c(c2)OCCO3)c2ccccc2Cl)C1=O ZINC000538610109 879851198 /nfs/dbraw/zinc/85/11/98/879851198.db2.gz PNEDSBOMOIEDDX-GHTZIAJQSA-N 1 2 398.890 3.577 20 30 GHEDLO N#CCCCOc1ccc[nH+]c1NCc1ccc(I)cc1 ZINC000453048208 880367230 /nfs/dbraw/zinc/36/72/30/880367230.db2.gz MQYOXIFTGDXRQG-UHFFFAOYSA-N 1 2 393.228 3.981 20 30 GHEDLO COc1ccc(C[C@@H](C)[NH2+]CC(F)(F)C(F)(F)C(F)(F)F)c([N+](=O)[O-])c1 ZINC001170297724 881318727 /nfs/dbraw/zinc/31/87/27/881318727.db2.gz QZQFACXIKHGUTR-MRVPVSSYSA-N 1 2 392.271 3.957 20 30 GHEDLO N#Cc1ccc(OCc2cccc(C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)c2)cc1 ZINC000609662175 883503316 /nfs/dbraw/zinc/50/33/16/883503316.db2.gz SLWUAGURPIHHNB-OAQYLSRUSA-N 1 2 386.455 3.811 20 30 GHEDLO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000805740922 884050021 /nfs/dbraw/zinc/05/00/21/884050021.db2.gz RMVVLCAVYPINSS-CYBMUJFWSA-N 1 2 394.313 3.667 20 30 GHEDLO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000805740922 884050038 /nfs/dbraw/zinc/05/00/38/884050038.db2.gz RMVVLCAVYPINSS-CYBMUJFWSA-N 1 2 394.313 3.667 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCN(c3ccccc3C)CC2)cc1 ZINC000026471019 884261265 /nfs/dbraw/zinc/26/12/65/884261265.db2.gz ZIDGFQMYUQVPQU-OAQYLSRUSA-N 1 2 390.531 3.761 20 30 GHEDLO C#CCOc1cccc(-c2noc(C3CC[NH+](Cc4csc(C)n4)CC3)n2)c1 ZINC000761781076 884263341 /nfs/dbraw/zinc/26/33/41/884263341.db2.gz BIDJGXMZVQSOGP-UHFFFAOYSA-N 1 2 394.500 3.893 20 30 GHEDLO N#CCc1cccc2c1CC[N@@H+](CC(=O)[C@@H](C#N)c1nc3ccccc3s1)C2 ZINC000860108006 884334707 /nfs/dbraw/zinc/33/47/07/884334707.db2.gz ORPVGVHEUPEYMA-GOSISDBHSA-N 1 2 386.480 3.597 20 30 GHEDLO N#CCc1cccc2c1CC[N@H+](CC(=O)[C@@H](C#N)c1nc3ccccc3s1)C2 ZINC000860108006 884334725 /nfs/dbraw/zinc/33/47/25/884334725.db2.gz ORPVGVHEUPEYMA-GOSISDBHSA-N 1 2 386.480 3.597 20 30 GHEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000806260954 884513183 /nfs/dbraw/zinc/51/31/83/884513183.db2.gz YEWSIZATJUSSRI-KNQAVFIVSA-N 1 2 391.515 3.836 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1Cc1ccccn1 ZINC001183832396 912838254 /nfs/dbraw/zinc/83/82/54/912838254.db2.gz UZGUNLYIZVEFQW-GOTSBHOMSA-N 1 2 388.515 3.541 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1Cc1ccccn1 ZINC001183832396 912838263 /nfs/dbraw/zinc/83/82/63/912838263.db2.gz UZGUNLYIZVEFQW-GOTSBHOMSA-N 1 2 388.515 3.541 20 30 GHEDLO C=CCN(C(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)c1nc2c(s1)CCCC2 ZINC000498505649 884652815 /nfs/dbraw/zinc/65/28/15/884652815.db2.gz NVBUPVQQCHSTER-HZPDHXFCSA-N 1 2 382.533 3.708 20 30 GHEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)c1sccc1C#N ZINC000104450783 885429212 /nfs/dbraw/zinc/42/92/12/885429212.db2.gz FVVAZONMZOXKRG-UHFFFAOYSA-N 1 2 394.500 3.948 20 30 GHEDLO CCCCCCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000807743960 885677004 /nfs/dbraw/zinc/67/70/04/885677004.db2.gz ZOUHYQMWXFSJHN-GOSISDBHSA-N 1 2 381.561 3.501 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000108360119 886070487 /nfs/dbraw/zinc/07/04/87/886070487.db2.gz RNICHJSBCUGZKP-HOTGVXAUSA-N 1 2 383.521 3.622 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000108360119 886070508 /nfs/dbraw/zinc/07/05/08/886070508.db2.gz RNICHJSBCUGZKP-HOTGVXAUSA-N 1 2 383.521 3.622 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCC(Oc3ccc(F)cn3)CC2)c(Br)c1 ZINC001137640076 886123353 /nfs/dbraw/zinc/12/33/53/886123353.db2.gz QQHGXDAXVYSQJU-UHFFFAOYSA-N 1 2 390.256 3.898 20 30 GHEDLO COc1ccncc1CO[NH+]=C(N)c1ccc(COc2ccccc2F)cc1 ZINC000808254699 886155481 /nfs/dbraw/zinc/15/54/81/886155481.db2.gz DUABBFGXCUSESZ-UHFFFAOYSA-N 1 2 381.407 3.645 20 30 GHEDLO CC[C@H]([NH2+][C@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1nc(C(F)(F)F)cs1 ZINC000542563720 886346486 /nfs/dbraw/zinc/34/64/86/886346486.db2.gz QLXZBMYXOCHRIA-JRPNMDOOSA-N 1 2 376.448 3.646 20 30 GHEDLO N#CCc1cccc2c1CC[N@@H+](CN1C[C@H](c3cc(F)c(F)c(F)c3)CC1=O)C2 ZINC000863335554 887038771 /nfs/dbraw/zinc/03/87/71/887038771.db2.gz HOIHHWXTHOLQSS-QGZVFWFLSA-N 1 2 399.416 3.502 20 30 GHEDLO N#CCc1cccc2c1CC[N@H+](CN1C[C@H](c3cc(F)c(F)c(F)c3)CC1=O)C2 ZINC000863335554 887038776 /nfs/dbraw/zinc/03/87/76/887038776.db2.gz HOIHHWXTHOLQSS-QGZVFWFLSA-N 1 2 399.416 3.502 20 30 GHEDLO C[C@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000105022513 887310555 /nfs/dbraw/zinc/31/05/55/887310555.db2.gz DBMZLTZFTWUGFR-IRXDYDNUSA-N 1 2 394.475 3.581 20 30 GHEDLO C#CC[C@@]1(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)CCCN1C(=O)OC(C)(C)C ZINC000809583643 887594400 /nfs/dbraw/zinc/59/44/00/887594400.db2.gz IUZXYPIVFWUMEE-QFIPXVFZSA-N 1 2 394.475 3.604 20 30 GHEDLO C=CCn1c2nn(C[N@@H+](C)[C@@H]3CCC(C)(C)C3)c(=S)n2c2ccccc2c1=O ZINC000794681396 887752547 /nfs/dbraw/zinc/75/25/47/887752547.db2.gz CIERDKACDKBKDY-OAHLLOKOSA-N 1 2 397.548 3.834 20 30 GHEDLO C=CCn1c2nn(C[N@H+](C)[C@@H]3CCC(C)(C)C3)c(=S)n2c2ccccc2c1=O ZINC000794681396 887752562 /nfs/dbraw/zinc/75/25/62/887752562.db2.gz CIERDKACDKBKDY-OAHLLOKOSA-N 1 2 397.548 3.834 20 30 GHEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 ZINC000153854697 888731316 /nfs/dbraw/zinc/73/13/16/888731316.db2.gz HSJAVUVSUVRVGQ-HSZRJFAPSA-N 1 2 399.494 3.664 20 30 GHEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccccc1C(=O)NCc1ccc(C)cc1 ZINC000916626347 889198841 /nfs/dbraw/zinc/19/88/41/889198841.db2.gz KUYVATXKKMEJGN-UHFFFAOYSA-N 1 2 377.488 3.538 20 30 GHEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000063401686 889601304 /nfs/dbraw/zinc/60/13/04/889601304.db2.gz VOJBYCMSVKFQEN-UHFFFAOYSA-N 1 2 385.471 3.701 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000811454074 889612333 /nfs/dbraw/zinc/61/23/33/889612333.db2.gz GDPZWARHDOPOAR-GDBMZVCRSA-N 1 2 376.526 3.626 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000811454074 889612334 /nfs/dbraw/zinc/61/23/34/889612334.db2.gz GDPZWARHDOPOAR-GDBMZVCRSA-N 1 2 376.526 3.626 20 30 GHEDLO Cc1cc(Sc2nnc([C@H](C)[NH+](C)C)n2-c2ccc(F)cc2)ncc1C#N ZINC001184687909 913388238 /nfs/dbraw/zinc/38/82/38/913388238.db2.gz DEEIVVOPWJXBGY-ZDUSSCGKSA-N 1 2 382.468 3.755 20 30 GHEDLO C#C[C@@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000811854156 890048493 /nfs/dbraw/zinc/04/84/93/890048493.db2.gz HMOALNPGPQARNV-HXUWFJFHSA-N 1 2 378.863 3.759 20 30 GHEDLO C=CCOC[C@@H]1C[N@@H+](Cc2c[nH]c3c2cccc3F)Cc2nnn(CC3CC3)c21 ZINC001137053953 890395312 /nfs/dbraw/zinc/39/53/12/890395312.db2.gz LCYQPHLHUNFBAM-KRWDZBQOSA-N 1 2 395.482 3.611 20 30 GHEDLO C=CCOC[C@@H]1C[N@H+](Cc2c[nH]c3c2cccc3F)Cc2nnn(CC3CC3)c21 ZINC001137053953 890395327 /nfs/dbraw/zinc/39/53/27/890395327.db2.gz LCYQPHLHUNFBAM-KRWDZBQOSA-N 1 2 395.482 3.611 20 30 GHEDLO Cc1cc(C)c(NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(C)[nH+]1 ZINC000455462270 890982856 /nfs/dbraw/zinc/98/28/56/890982856.db2.gz BOTNVZYZEIHPPP-UHFFFAOYSA-N 1 2 391.475 3.761 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)Nc2cc(CC#N)ccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000871725700 890992062 /nfs/dbraw/zinc/99/20/62/890992062.db2.gz JIIWNUPSSPFLGA-WMZOPIPTSA-N 1 2 387.846 3.507 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)Nc2cc(CC#N)ccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000871725700 890992069 /nfs/dbraw/zinc/99/20/69/890992069.db2.gz JIIWNUPSSPFLGA-WMZOPIPTSA-N 1 2 387.846 3.507 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000066955802 891135054 /nfs/dbraw/zinc/13/50/54/891135054.db2.gz XMPHVEPMSQABMQ-HNNXBMFYSA-N 1 2 383.521 3.978 20 30 GHEDLO C#C[C@@H](NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(F)cc1 ZINC000812937214 891147498 /nfs/dbraw/zinc/14/74/98/891147498.db2.gz VIGVXBASEDNMTA-YLJYHZDGSA-N 1 2 380.467 3.622 20 30 GHEDLO O=C(C#Cc1cccs1)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000825581965 891150674 /nfs/dbraw/zinc/15/06/74/891150674.db2.gz SQARGKQJLFOWIS-UHFFFAOYSA-N 1 2 391.496 3.535 20 30 GHEDLO C=C1[C@@H]2C[C@H](C[C@@H]1OC(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1c[nH+]cn1C)C2(C)C ZINC000813093045 891267770 /nfs/dbraw/zinc/26/77/70/891267770.db2.gz HUEWJAHCJRBFCG-GOBLKYCHSA-N 1 2 399.535 3.644 20 30 GHEDLO CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C/c2c[nH+]c3c(C)cccn23)cc1 ZINC000125276823 892429902 /nfs/dbraw/zinc/42/99/02/892429902.db2.gz ZPGKPPVDTJLWLM-JLHYYAGUSA-N 1 2 397.500 3.569 20 30 GHEDLO N#Cc1ccc([C@H]2C[N@H+](CCCc3nc(-c4cccs4)no3)CCO2)cc1 ZINC000933623650 893106296 /nfs/dbraw/zinc/10/62/96/893106296.db2.gz DJUZQHKCYFFMNC-QGZVFWFLSA-N 1 2 380.473 3.676 20 30 GHEDLO N#Cc1ccc([C@H]2C[N@@H+](CCCc3nc(-c4cccs4)no3)CCO2)cc1 ZINC000933623650 893106299 /nfs/dbraw/zinc/10/62/99/893106299.db2.gz DJUZQHKCYFFMNC-QGZVFWFLSA-N 1 2 380.473 3.676 20 30 GHEDLO Cn1ccc(-c2nc(C[NH+]3CCC(Oc4ccc(C#N)cc4F)CC3)cs2)n1 ZINC000878609426 894438163 /nfs/dbraw/zinc/43/81/63/894438163.db2.gz AGQNSOBEXYNJSL-UHFFFAOYSA-N 1 2 397.479 3.598 20 30 GHEDLO C[C@H](CCCc1ccccc1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000537163475 894470675 /nfs/dbraw/zinc/47/06/75/894470675.db2.gz ABKOFOXWPFMXJK-HXUWFJFHSA-N 1 2 375.516 3.861 20 30 GHEDLO Cc1nsc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1C#N ZINC000564177780 894689633 /nfs/dbraw/zinc/68/96/33/894689633.db2.gz HIOWMTDBQPSKSK-HUUCEWRRSA-N 1 2 393.875 3.683 20 30 GHEDLO Cc1nsc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1C#N ZINC000564177780 894689640 /nfs/dbraw/zinc/68/96/40/894689640.db2.gz HIOWMTDBQPSKSK-HUUCEWRRSA-N 1 2 393.875 3.683 20 30 GHEDLO Cc1nsc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1C#N ZINC000564177782 894689988 /nfs/dbraw/zinc/68/99/88/894689988.db2.gz HIOWMTDBQPSKSK-LSDHHAIUSA-N 1 2 393.875 3.683 20 30 GHEDLO Cc1nsc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1C#N ZINC000564177782 894689995 /nfs/dbraw/zinc/68/99/95/894689995.db2.gz HIOWMTDBQPSKSK-LSDHHAIUSA-N 1 2 393.875 3.683 20 30 GHEDLO N#CCCC1CC[NH+]([C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)CC1 ZINC000564978148 895337583 /nfs/dbraw/zinc/33/75/83/895337583.db2.gz CGOUXWODQPIYOP-HNNXBMFYSA-N 1 2 380.275 3.641 20 30 GHEDLO CC(C)c1cc([C@@H]2CCC[N@H+](CC(=O)Nc3ccccc3SCC#N)C2)[nH]n1 ZINC000879919445 895403166 /nfs/dbraw/zinc/40/31/66/895403166.db2.gz QVRBLBXLKRPJBS-MRXNPFEDSA-N 1 2 397.548 3.967 20 30 GHEDLO CC(C)c1cc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccccc3SCC#N)C2)[nH]n1 ZINC000879919445 895403168 /nfs/dbraw/zinc/40/31/68/895403168.db2.gz QVRBLBXLKRPJBS-MRXNPFEDSA-N 1 2 397.548 3.967 20 30 GHEDLO CC(C)c1cc([C@@H]2CCC[N@H+](CC(=O)Nc3ccccc3SCC#N)C2)n[nH]1 ZINC000879919445 895403174 /nfs/dbraw/zinc/40/31/74/895403174.db2.gz QVRBLBXLKRPJBS-MRXNPFEDSA-N 1 2 397.548 3.967 20 30 GHEDLO CC(C)c1cc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccccc3SCC#N)C2)n[nH]1 ZINC000879919445 895403176 /nfs/dbraw/zinc/40/31/76/895403176.db2.gz QVRBLBXLKRPJBS-MRXNPFEDSA-N 1 2 397.548 3.967 20 30 GHEDLO CCCC[C@@H](ON=C(C)C)C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC001136723249 899035063 /nfs/dbraw/zinc/03/50/63/899035063.db2.gz WTNJIMBOKSDXMM-WIYYLYMNSA-N 1 2 389.540 3.872 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(NC3=CC[C@@H](C#N)CC3)c[nH+]2)C1 ZINC001212859436 899891302 /nfs/dbraw/zinc/89/13/02/899891302.db2.gz JKQSJUDCTSKPDC-CRAIPNDOSA-N 1 2 383.496 3.804 20 30 GHEDLO C[N@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)Nc1ccc(F)c(C#N)c1)CC2 ZINC000333186768 900020364 /nfs/dbraw/zinc/02/03/64/900020364.db2.gz UNEFZZSGXDTSLP-QGZVFWFLSA-N 1 2 399.495 3.672 20 30 GHEDLO C[N@@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)Nc1ccc(F)c(C#N)c1)CC2 ZINC000333186768 900020376 /nfs/dbraw/zinc/02/03/76/900020376.db2.gz UNEFZZSGXDTSLP-QGZVFWFLSA-N 1 2 399.495 3.672 20 30 GHEDLO Cn1c[nH+]cc1CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC000572765068 900272508 /nfs/dbraw/zinc/27/25/08/900272508.db2.gz BPCZHYCCLBCSBN-UHFFFAOYSA-N 1 2 395.850 3.846 20 30 GHEDLO CCOC(=O)Cc1csc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)n1 ZINC000026904190 900283424 /nfs/dbraw/zinc/28/34/24/900283424.db2.gz WPMHPIKLYOTAND-CYBMUJFWSA-N 1 2 379.507 3.735 20 30 GHEDLO CCOC(=O)Cc1csc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccs2)n1 ZINC000026904190 900283430 /nfs/dbraw/zinc/28/34/30/900283430.db2.gz WPMHPIKLYOTAND-CYBMUJFWSA-N 1 2 379.507 3.735 20 30 GHEDLO CC(C)(C)OC(=O)N1C[C@H]2CC[N@H+](Cc3c(Cl)cccc3C#N)C[C@@H]2C1 ZINC001143717335 900399106 /nfs/dbraw/zinc/39/91/06/900399106.db2.gz CLYMBAUZQAWAJX-HZPDHXFCSA-N 1 2 375.900 3.900 20 30 GHEDLO CC(C)(C)OC(=O)N1C[C@H]2CC[N@@H+](Cc3c(Cl)cccc3C#N)C[C@@H]2C1 ZINC001143717335 900399114 /nfs/dbraw/zinc/39/91/14/900399114.db2.gz CLYMBAUZQAWAJX-HZPDHXFCSA-N 1 2 375.900 3.900 20 30 GHEDLO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](Cc3c(Cl)cccc3C#N)C[C@H]12 ZINC001143723279 900442622 /nfs/dbraw/zinc/44/26/22/900442622.db2.gz OYBKETHAPAUMDE-GOTSBHOMSA-N 1 2 393.918 3.976 20 30 GHEDLO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3c(Cl)cccc3C#N)C[C@H]12 ZINC001143723279 900442624 /nfs/dbraw/zinc/44/26/24/900442624.db2.gz OYBKETHAPAUMDE-GOTSBHOMSA-N 1 2 393.918 3.976 20 30 GHEDLO N#CCCn1cc(C(=O)C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c2ccccc21 ZINC000290073726 914509068 /nfs/dbraw/zinc/50/90/68/914509068.db2.gz YMRCKELWPJBTRH-MRXNPFEDSA-N 1 2 381.867 3.535 20 30 GHEDLO N#CCCn1cc(C(=O)C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c2ccccc21 ZINC000290073726 914509079 /nfs/dbraw/zinc/50/90/79/914509079.db2.gz YMRCKELWPJBTRH-MRXNPFEDSA-N 1 2 381.867 3.535 20 30 GHEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](c3ncccn3)C2)ccc1Cl ZINC000886679257 901222274 /nfs/dbraw/zinc/22/22/74/901222274.db2.gz UCVMLMUBHVGPIN-KRWDZBQOSA-N 1 2 397.910 3.565 20 30 GHEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H](c3ncccn3)C2)ccc1Cl ZINC000886679257 901222284 /nfs/dbraw/zinc/22/22/84/901222284.db2.gz UCVMLMUBHVGPIN-KRWDZBQOSA-N 1 2 397.910 3.565 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2CCc1c(Cl)nc(C)nc1Cl ZINC001275536426 914621935 /nfs/dbraw/zinc/62/19/35/914621935.db2.gz MPKFAOORWQHOIP-LJQANCHMSA-N 1 2 397.350 3.667 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2CCc1c(Cl)nc(C)nc1Cl ZINC001275536426 914621939 /nfs/dbraw/zinc/62/19/39/914621939.db2.gz MPKFAOORWQHOIP-LJQANCHMSA-N 1 2 397.350 3.667 20 30 GHEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)C1=O ZINC000577589878 902926085 /nfs/dbraw/zinc/92/60/85/902926085.db2.gz TVDHSIUOOUHAAQ-UONOGXRCSA-N 1 2 383.439 3.780 20 30 GHEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)C1=O ZINC000577589878 902926089 /nfs/dbraw/zinc/92/60/89/902926089.db2.gz TVDHSIUOOUHAAQ-UONOGXRCSA-N 1 2 383.439 3.780 20 30 GHEDLO N#Cc1cccc(CCNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)c1 ZINC000577808612 903224522 /nfs/dbraw/zinc/22/45/22/903224522.db2.gz YIUKSNCDJXYXGM-FCHUYYIVSA-N 1 2 385.471 3.525 20 30 GHEDLO Cc1ccc2[nH+]c(CSCC(=O)Nc3ccc(F)cc3OCC#N)cn2c1 ZINC000159454573 903304457 /nfs/dbraw/zinc/30/44/57/903304457.db2.gz XCONSEFFIQRIBR-UHFFFAOYSA-N 1 2 384.436 3.556 20 30 GHEDLO C=CCNC(=O)C[NH2+][C@H](c1ccc2c(c1)CCO2)c1cc(Cl)ccc1Cl ZINC000779169852 905079124 /nfs/dbraw/zinc/07/91/24/905079124.db2.gz RAHVUBSSZRFUPN-HXUWFJFHSA-N 1 2 391.298 3.910 20 30 GHEDLO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1nccn1C(F)F ZINC000173681465 905092326 /nfs/dbraw/zinc/09/23/26/905092326.db2.gz HUTDXAIBPBKCIN-UHFFFAOYSA-N 1 2 393.463 3.551 20 30 GHEDLO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1nccn1C(F)F ZINC000173681465 905092345 /nfs/dbraw/zinc/09/23/45/905092345.db2.gz HUTDXAIBPBKCIN-UHFFFAOYSA-N 1 2 393.463 3.551 20 30 GHEDLO COC(=O)C1C/C(=C\c2cncn2C(C)C)C(=O)/C(=C/c2c[nH+]cn2C(C)C)C1 ZINC000901501422 921176665 /nfs/dbraw/zinc/17/66/65/921176665.db2.gz WDKMIEHEVIXRPM-GONBZBRSSA-N 1 2 396.491 3.861 20 30 GHEDLO Cc1[nH]c(-c2cccc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c2)[nH+]c1C ZINC000780403977 906150460 /nfs/dbraw/zinc/15/04/60/906150460.db2.gz QVNOVGXJJJNGJU-OAQYLSRUSA-N 1 2 382.464 3.894 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC3(CC2)OCc2ccccc23)c(C#N)c1C ZINC000366132699 921308681 /nfs/dbraw/zinc/30/86/81/921308681.db2.gz AGVNQATZOZQEHH-HNNXBMFYSA-N 1 2 379.460 3.617 20 30 GHEDLO N#Cc1ccccc1NC1CC[NH+](Cc2nc(CCc3ccccc3)no2)CC1 ZINC001174976102 907297380 /nfs/dbraw/zinc/29/73/80/907297380.db2.gz UBIRSFLLQCDILI-UHFFFAOYSA-N 1 2 387.487 3.803 20 30 GHEDLO Cc1sc(NC(=O)C[N@H+]2Cc3ccccc3N3CCC[C@@H]3C2)c(C#N)c1C ZINC001175669959 907682039 /nfs/dbraw/zinc/68/20/39/907682039.db2.gz WOBUFBURVYAQTJ-QGZVFWFLSA-N 1 2 380.517 3.660 20 30 GHEDLO Cc1sc(NC(=O)C[N@@H+]2Cc3ccccc3N3CCC[C@@H]3C2)c(C#N)c1C ZINC001175669959 907682049 /nfs/dbraw/zinc/68/20/49/907682049.db2.gz WOBUFBURVYAQTJ-QGZVFWFLSA-N 1 2 380.517 3.660 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)Cc2ccccc2CC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000777411158 907682036 /nfs/dbraw/zinc/68/20/36/907682036.db2.gz ZKUYFLFLUKDWIQ-FPOVZHCZSA-N 1 2 385.870 3.649 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)Cc2ccccc2CC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000777411158 907682048 /nfs/dbraw/zinc/68/20/48/907682048.db2.gz ZKUYFLFLUKDWIQ-FPOVZHCZSA-N 1 2 385.870 3.649 20 30 GHEDLO N#Cc1cc(F)cc(Nc2cncnc2[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC001175680417 907690173 /nfs/dbraw/zinc/69/01/73/907690173.db2.gz WHWKWEZUMUSARE-NRFANRHFSA-N 1 2 389.434 3.804 20 30 GHEDLO N#Cc1cc(F)cc(Nc2cncnc2[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC001175680417 907690179 /nfs/dbraw/zinc/69/01/79/907690179.db2.gz WHWKWEZUMUSARE-NRFANRHFSA-N 1 2 389.434 3.804 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@H](C(F)(F)F)O[C@H](C)C2)cc1 ZINC001175873114 907810956 /nfs/dbraw/zinc/81/09/56/907810956.db2.gz MPGRTYMZSAMFRB-SOLBZPMBSA-N 1 2 397.441 3.672 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@H](C(F)(F)F)O[C@H](C)C2)cc1 ZINC001175873114 907810969 /nfs/dbraw/zinc/81/09/69/907810969.db2.gz MPGRTYMZSAMFRB-SOLBZPMBSA-N 1 2 397.441 3.672 20 30 GHEDLO C[C@@H](C#N)OCCSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000801654805 921362473 /nfs/dbraw/zinc/36/24/73/921362473.db2.gz OHQAMRZGIBATRH-STQMWFEESA-N 1 2 379.917 3.564 20 30 GHEDLO COc1ccc(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)cc1OCCCC#N ZINC000187654488 908121502 /nfs/dbraw/zinc/12/15/02/908121502.db2.gz XASYOJYEYCCOTH-UHFFFAOYSA-N 1 2 384.398 3.721 20 30 GHEDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3ccccc3OCC#N)CC2)cc1 ZINC000194065776 908857615 /nfs/dbraw/zinc/85/76/15/908857615.db2.gz LIPKKWIMEXAPET-UHFFFAOYSA-N 1 2 377.488 3.670 20 30 GHEDLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000635185319 909177389 /nfs/dbraw/zinc/17/73/89/909177389.db2.gz UXAOHVDQZNCTKW-CQSZACIVSA-N 1 2 389.299 3.563 20 30 GHEDLO N#Cc1ccc(F)c(C[NH2+]Cc2cccc(F)c2I)c1 ZINC001179593910 909598619 /nfs/dbraw/zinc/59/86/19/909598619.db2.gz XNXXTZAPJCJHRH-UHFFFAOYSA-N 1 2 384.167 3.731 20 30 GHEDLO C[C@H]1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1n1cc[nH+]c1 ZINC000268420302 909871227 /nfs/dbraw/zinc/87/12/27/909871227.db2.gz VVTRUGHALFPXQG-BLLLJJGKSA-N 1 2 377.370 3.889 20 30 GHEDLO CC(C)c1nc(C2CC[NH+](CC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)no1 ZINC000299679500 921577209 /nfs/dbraw/zinc/57/72/09/921577209.db2.gz QPRYJCDNQKGZGA-UHFFFAOYSA-N 1 2 387.871 3.536 20 30 GHEDLO C[C@@H](C#N)OCCN1CC[NH+]([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000801917982 921622802 /nfs/dbraw/zinc/62/28/02/921622802.db2.gz UKWUDLNXIBKLMQ-PGRDOPGGSA-N 1 2 383.923 3.976 20 30 GHEDLO C[C@H](C#N)OCCN1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000801934790 921646956 /nfs/dbraw/zinc/64/69/56/921646956.db2.gz QZTBHHIBCJDLTA-XMSQKQJNSA-N 1 2 383.923 3.976 20 30 GHEDLO CCOC(=O)Cc1c(C#N)c(Nc2ccc(C)[nH+]c2C)sc1C(=O)OCC ZINC001203370890 911316539 /nfs/dbraw/zinc/31/65/39/911316539.db2.gz ZKZRTVFLYCAVGU-UHFFFAOYSA-N 1 2 387.461 3.658 20 30 GHEDLO Cn1c(CC#N)nn(C[N@@H+]2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)c1=S ZINC000795654756 911919196 /nfs/dbraw/zinc/91/91/96/911919196.db2.gz TWOZHWDJCWNPJA-CQSZACIVSA-N 1 2 395.454 3.873 20 30 GHEDLO Cn1c(CC#N)nn(C[N@H+]2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)c1=S ZINC000795654756 911919206 /nfs/dbraw/zinc/91/92/06/911919206.db2.gz TWOZHWDJCWNPJA-CQSZACIVSA-N 1 2 395.454 3.873 20 30 GHEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1occc1COc1cccc(C#N)c1 ZINC000366807185 921752632 /nfs/dbraw/zinc/75/26/32/921752632.db2.gz HGVZSDAVWNOMGO-UHFFFAOYSA-N 1 2 390.443 3.535 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000292210129 915562786 /nfs/dbraw/zinc/56/27/86/915562786.db2.gz TYGDWWMSILWULF-WMZOPIPTSA-N 1 2 387.549 3.768 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000292210129 915562795 /nfs/dbraw/zinc/56/27/95/915562795.db2.gz TYGDWWMSILWULF-WMZOPIPTSA-N 1 2 387.549 3.768 20 30 GHEDLO CCOc1ccc(NC(=O)[C@@H](C)O[NH+]=C(N)Cc2ccccc2Cl)cc1 ZINC000097571157 915702050 /nfs/dbraw/zinc/70/20/50/915702050.db2.gz BTFPRAUFAMKCQX-CYBMUJFWSA-N 1 2 375.856 3.597 20 30 GHEDLO CCCCCCCCS(=O)(=O)NCc1c[nH+]cn1Cc1cccc(F)c1 ZINC001188030023 915721712 /nfs/dbraw/zinc/72/17/12/915721712.db2.gz DXOBWWFFAMHBGL-UHFFFAOYSA-N 1 2 381.517 3.850 20 30 GHEDLO CCCCCCCCn1nc(C)c(S(=O)(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)c1C ZINC001188345157 915901609 /nfs/dbraw/zinc/90/16/09/915901609.db2.gz HPFWVPHUTZGJKB-IRXDYDNUSA-N 1 2 398.617 3.574 20 30 GHEDLO CCCCCCCCn1nc(C)c(S(=O)(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1C ZINC001188345157 915901616 /nfs/dbraw/zinc/90/16/16/915901616.db2.gz HPFWVPHUTZGJKB-IRXDYDNUSA-N 1 2 398.617 3.574 20 30 GHEDLO CC[N@@H+]1CC[C@@H](NC(=O)N2CCC(CC#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000543778928 916089382 /nfs/dbraw/zinc/08/93/82/916089382.db2.gz CQJZPQROWFCCLB-RTBURBONSA-N 1 2 392.906 3.950 20 30 GHEDLO CC[N@H+]1CC[C@@H](NC(=O)N2CCC(CC#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000543778928 916089401 /nfs/dbraw/zinc/08/94/01/916089401.db2.gz CQJZPQROWFCCLB-RTBURBONSA-N 1 2 392.906 3.950 20 30 GHEDLO CSCc1cnc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)s1 ZINC000295356051 917283390 /nfs/dbraw/zinc/28/33/90/917283390.db2.gz NKUVIRNAEGEUNK-UHFFFAOYSA-N 1 2 386.546 3.728 20 30 GHEDLO N#Cc1ccc(C(=O)N2CC[N@@H+]3CCc4ccccc4[C@H]3C2)c(C(F)(F)F)c1 ZINC001192091864 918387041 /nfs/dbraw/zinc/38/70/41/918387041.db2.gz QUVHKRMFXPAFLX-LJQANCHMSA-N 1 2 385.389 3.632 20 30 GHEDLO N#Cc1ccc(C(=O)N2CC[N@H+]3CCc4ccccc4[C@H]3C2)c(C(F)(F)F)c1 ZINC001192091864 918387068 /nfs/dbraw/zinc/38/70/68/918387068.db2.gz QUVHKRMFXPAFLX-LJQANCHMSA-N 1 2 385.389 3.632 20 30 GHEDLO C[N@@H+]1CCc2c(C#N)c(NC(=O)Nc3ccc(OC(F)F)cc3)sc2C1 ZINC001192146993 918440662 /nfs/dbraw/zinc/44/06/62/918440662.db2.gz CNWRJZJZISXEST-UHFFFAOYSA-N 1 2 378.404 3.853 20 30 GHEDLO C[N@H+]1CCc2c(C#N)c(NC(=O)Nc3ccc(OC(F)F)cc3)sc2C1 ZINC001192146993 918440673 /nfs/dbraw/zinc/44/06/73/918440673.db2.gz CNWRJZJZISXEST-UHFFFAOYSA-N 1 2 378.404 3.853 20 30 GHEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2sc(NC(C)(C)C)nc2Cl)C1=O ZINC001275869455 919026494 /nfs/dbraw/zinc/02/64/94/919026494.db2.gz YNYKRAZPTIPEPJ-GOSISDBHSA-N 1 2 382.961 3.760 20 30 GHEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2sc(NC(C)(C)C)nc2Cl)C1=O ZINC001275869455 919026518 /nfs/dbraw/zinc/02/65/18/919026518.db2.gz YNYKRAZPTIPEPJ-GOSISDBHSA-N 1 2 382.961 3.760 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC[C@H](OCC(C)C)C2)c1C#N ZINC000119563311 919637792 /nfs/dbraw/zinc/63/77/92/919637792.db2.gz WYCYNFYEJWNXRI-IBGZPJMESA-N 1 2 386.540 3.777 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@H](OCC(C)C)C2)c1C#N ZINC000119563311 919637803 /nfs/dbraw/zinc/63/78/03/919637803.db2.gz WYCYNFYEJWNXRI-IBGZPJMESA-N 1 2 386.540 3.777 20 30 GHEDLO Cc1[nH]c2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)cc2[nH+]1 ZINC000410333611 925542906 /nfs/dbraw/zinc/54/29/06/925542906.db2.gz TVAYRUWWRVLJBP-UHFFFAOYSA-N 1 2 380.351 3.563 20 30 GHEDLO Cc1cc(-c2noc([C@H](C)[NH2+]Cc3cnc4ccc(C#N)cn34)n2)ccc1F ZINC000372812867 925722591 /nfs/dbraw/zinc/72/25/91/925722591.db2.gz CMDPAWCJILEPTA-ZDUSSCGKSA-N 1 2 376.395 3.554 20 30 GHEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(Cl)c(OC)c(Cl)c1 ZINC001276134709 925884756 /nfs/dbraw/zinc/88/47/56/925884756.db2.gz NVMFFMLPNLKKDI-LJQANCHMSA-N 1 2 381.303 3.592 20 30 GHEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Cl)c(OC)c(Cl)c1 ZINC001276134709 925884766 /nfs/dbraw/zinc/88/47/66/925884766.db2.gz NVMFFMLPNLKKDI-LJQANCHMSA-N 1 2 381.303 3.592 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000373960768 926595467 /nfs/dbraw/zinc/59/54/67/926595467.db2.gz VXDSEIXAZWPQOD-IAGOWNOFSA-N 1 2 395.532 3.689 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000373960768 926595481 /nfs/dbraw/zinc/59/54/81/926595481.db2.gz VXDSEIXAZWPQOD-IAGOWNOFSA-N 1 2 395.532 3.689 20 30 GHEDLO CC(C)[C@@H](NC(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1)c1ccc(F)cc1 ZINC000374291051 926987283 /nfs/dbraw/zinc/98/72/83/926987283.db2.gz IDPTXEJAXAGDCJ-JOCHJYFZSA-N 1 2 394.494 3.591 20 30 GHEDLO N#Cc1ccc(OCCNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)cc1 ZINC000374333658 927026860 /nfs/dbraw/zinc/02/68/60/927026860.db2.gz VRLMUYACTHMBKF-UHFFFAOYSA-N 1 2 399.454 3.674 20 30 GHEDLO COc1ccc(F)cc1C[NH+]1CCN(c2nc3ccccc3cc2C#N)CC1 ZINC000750013748 927391368 /nfs/dbraw/zinc/39/13/68/927391368.db2.gz QQJCCOHCOOKYSC-UHFFFAOYSA-N 1 2 376.435 3.576 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000752285733 928730734 /nfs/dbraw/zinc/73/07/34/928730734.db2.gz XXAKSIDXFJTCRQ-OAHLLOKOSA-N 1 2 381.423 3.649 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000752285733 928730739 /nfs/dbraw/zinc/73/07/39/928730739.db2.gz XXAKSIDXFJTCRQ-OAHLLOKOSA-N 1 2 381.423 3.649 20 30 GHEDLO CO[C@H]1C[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)CC[C@@H]1C ZINC000467302076 928936322 /nfs/dbraw/zinc/93/63/22/928936322.db2.gz DMJYZCQNEYMWTG-YWZLYKJASA-N 1 2 386.540 3.777 20 30 GHEDLO CO[C@H]1C[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)CC[C@@H]1C ZINC000467302076 928936333 /nfs/dbraw/zinc/93/63/33/928936333.db2.gz DMJYZCQNEYMWTG-YWZLYKJASA-N 1 2 386.540 3.777 20 30 GHEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1=O ZINC000467516708 929148810 /nfs/dbraw/zinc/14/88/10/929148810.db2.gz OJSDHRSRPZQLOT-GOSISDBHSA-N 1 2 399.422 3.745 20 30 GHEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1=O ZINC000467516708 929148817 /nfs/dbraw/zinc/14/88/17/929148817.db2.gz OJSDHRSRPZQLOT-GOSISDBHSA-N 1 2 399.422 3.745 20 30 GHEDLO Cc1cc(Br)cn2cc(CCNc3ncc(C#N)cc3Cl)[nH+]c12 ZINC000544700708 929465053 /nfs/dbraw/zinc/46/50/53/929465053.db2.gz DOOXPZPTZPBVIE-UHFFFAOYSA-N 1 2 390.672 3.980 20 30 GHEDLO COc1c[nH+]c(N[C@H](C)c2ccc(C#N)cc2)nc1N[C@@H](C)c1ccc(C#N)cc1 ZINC000557519266 931514742 /nfs/dbraw/zinc/51/47/42/931514742.db2.gz HNENVXYEXAIXLT-JKSUJKDBSA-N 1 2 398.470 3.997 20 30 GHEDLO Cc1cc(Br)cn2c(CN=Nc3ccc(C(F)(F)F)nn3)c[nH+]c12 ZINC000783863383 931696534 /nfs/dbraw/zinc/69/65/34/931696534.db2.gz QFABEWYQHZBUNH-UHFFFAOYSA-N 1 2 399.174 3.660 20 30 GHEDLO CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000796713061 932039311 /nfs/dbraw/zinc/03/93/11/932039311.db2.gz AUADPGIPIUDJRS-INIZCTEOSA-N 1 2 381.423 3.649 20 30 GHEDLO CC(C)NC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000796713061 932039319 /nfs/dbraw/zinc/03/93/19/932039319.db2.gz AUADPGIPIUDJRS-INIZCTEOSA-N 1 2 381.423 3.649 20 30 GHEDLO N#Cc1cc(Oc2ccc(NC(=O)N3CCC(n4cc[nH+]c4)CC3)cc2)ccn1 ZINC000558510774 932044351 /nfs/dbraw/zinc/04/43/51/932044351.db2.gz GVTPEWXQMRUNBS-UHFFFAOYSA-N 1 2 388.431 3.811 20 30 GHEDLO C=C(C)Cn1c(C)nnc1N1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000558983932 932354712 /nfs/dbraw/zinc/35/47/12/932354712.db2.gz GSACMIFDMSKESC-UHFFFAOYSA-N 1 2 379.430 3.504 20 30 GHEDLO N#Cc1cnc2c(F)c(F)c(F)cc2c1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000798216683 932566454 /nfs/dbraw/zinc/56/64/54/932566454.db2.gz SXFZIWWBUPFNBL-UHFFFAOYSA-N 1 2 379.345 3.743 20 30 GHEDLO COc1ccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c2ccccc12 ZINC000798275356 932588779 /nfs/dbraw/zinc/58/87/79/932588779.db2.gz QHEGIJBFNROWPN-QFBILLFUSA-N 1 2 381.476 3.697 20 30 GHEDLO CCn1nccc1C1CC[NH+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000559551464 932729479 /nfs/dbraw/zinc/72/94/79/932729479.db2.gz ZYZNHTXQHHYXAV-AWEZNQCLSA-N 1 2 397.548 3.531 20 30 GHEDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000799457496 933012959 /nfs/dbraw/zinc/01/29/59/933012959.db2.gz XEKALBHOOFDHGF-HNNXBMFYSA-N 1 2 395.385 3.890 20 30 GHEDLO C#CCn1ccc(CN(CC)c2cc[nH+]c3c(Br)ccc(F)c23)n1 ZINC000799960799 933190490 /nfs/dbraw/zinc/19/04/90/933190490.db2.gz PLSRAHNVPCTIMW-UHFFFAOYSA-N 1 2 387.256 3.993 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)CC#Cc2ccccc2)[C@@H](C)C1 ZINC001116909508 933824092 /nfs/dbraw/zinc/82/40/92/933824092.db2.gz WXIQNQKQZBLATE-FQEVSTJZSA-N 1 2 376.500 3.560 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)CC#Cc2ccccc2)[C@@H](C)C1 ZINC001116909508 933824105 /nfs/dbraw/zinc/82/41/05/933824105.db2.gz WXIQNQKQZBLATE-FQEVSTJZSA-N 1 2 376.500 3.560 20 30 GHEDLO CN(C)c1[nH+]cccc1/C=C\C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC001117351778 933929374 /nfs/dbraw/zinc/92/93/74/933929374.db2.gz VPWJWSMOFODRPQ-KAMYIIQDSA-N 1 2 384.501 3.760 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1Cc2ccc(Cl)cc2C1 ZINC001121683868 934738170 /nfs/dbraw/zinc/73/81/70/934738170.db2.gz AFRRGMNRRBCXAO-UHFFFAOYSA-N 1 2 396.926 3.731 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](c2ccn(C)n2)C1 ZINC000932131876 934830886 /nfs/dbraw/zinc/83/08/86/934830886.db2.gz AAFVBOZRQDBYIP-SJORKVTESA-N 1 2 397.548 3.632 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@H](c2ccn(C)n2)C1 ZINC000932131876 934830889 /nfs/dbraw/zinc/83/08/89/934830889.db2.gz AAFVBOZRQDBYIP-SJORKVTESA-N 1 2 397.548 3.632 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](c2ccn(C)n2)C1 ZINC000932131875 934830931 /nfs/dbraw/zinc/83/09/31/934830931.db2.gz AAFVBOZRQDBYIP-IRXDYDNUSA-N 1 2 397.548 3.632 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@H](c2ccn(C)n2)C1 ZINC000932131875 934830934 /nfs/dbraw/zinc/83/09/34/934830934.db2.gz AAFVBOZRQDBYIP-IRXDYDNUSA-N 1 2 397.548 3.632 20 30 GHEDLO C=C(C)Cn1c([C@@H](O)CC(C)(C)C)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001122373904 934858655 /nfs/dbraw/zinc/85/86/55/934858655.db2.gz DRBKUMZCAMMXBF-SFHVURJKSA-N 1 2 398.555 3.800 20 30 GHEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCC(c2ccc(O)cc2)CC1 ZINC001122398690 934861979 /nfs/dbraw/zinc/86/19/79/934861979.db2.gz ZYFWQSUQEWFFPW-UHFFFAOYSA-N 1 2 381.524 3.540 20 30 GHEDLO C=CCN(c1nnc([C@@H](C)[N@H+](C)Cc2ccccc2)n1C[C@@H]1CCOC1)C1CC1 ZINC001123227242 935123247 /nfs/dbraw/zinc/12/32/47/935123247.db2.gz QJDONSXCHFFUFU-QUCCMNQESA-N 1 2 395.551 3.662 20 30 GHEDLO C=CCN(c1nnc([C@@H](C)[N@@H+](C)Cc2ccccc2)n1C[C@@H]1CCOC1)C1CC1 ZINC001123227242 935123251 /nfs/dbraw/zinc/12/32/51/935123251.db2.gz QJDONSXCHFFUFU-QUCCMNQESA-N 1 2 395.551 3.662 20 30 GHEDLO CCC(C#N)(CC)c1nnc(N2CCC(Nc3cccc[nH+]3)CC2)n1CC1CC1 ZINC001123695246 935254885 /nfs/dbraw/zinc/25/48/85/935254885.db2.gz FBUDBCHCRAXDPL-UHFFFAOYSA-N 1 2 393.539 3.745 20 30 GHEDLO C=CC[C@@H]1CCCN(c2nnc([C@H]3CCCC[N@H+]3C)n2Cc2cc(C)on2)C1 ZINC001123858251 935310971 /nfs/dbraw/zinc/31/09/71/935310971.db2.gz YDAVFHWDIAQDEX-IEBWSBKVSA-N 1 2 384.528 3.572 20 30 GHEDLO C=CC[C@@H]1CCCN(c2nnc([C@H]3CCCC[N@@H+]3C)n2Cc2cc(C)on2)C1 ZINC001123858251 935310978 /nfs/dbraw/zinc/31/09/78/935310978.db2.gz YDAVFHWDIAQDEX-IEBWSBKVSA-N 1 2 384.528 3.572 20 30 GHEDLO N#Cc1ccc(N2CCN(c3[nH+]ccc4cc(C(F)(F)F)ccc43)CC2)cn1 ZINC000828101536 935579110 /nfs/dbraw/zinc/57/91/10/935579110.db2.gz OXKMFRJTPZDRIE-UHFFFAOYSA-N 1 2 383.377 3.847 20 30 GHEDLO N#Cc1ccc(CN2CC[NH+](Cc3ccccc3F)CC2)c(Br)c1 ZINC001137636759 935651711 /nfs/dbraw/zinc/65/17/11/935651711.db2.gz LNAMYLBTDIBZEV-UHFFFAOYSA-N 1 2 388.284 3.778 20 30 GHEDLO CSc1ccc(CNC(=O)CSCc2cn3cc(C)ccc3[nH+]2)cc1C#N ZINC001155244348 1032469828 /nfs/dbraw/zinc/46/98/28/1032469828.db2.gz DSKPZWJZOYDWFQ-UHFFFAOYSA-N 1 2 396.541 3.786 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(O)(C2CCC2)CC1 ZINC000932817062 1018688547 /nfs/dbraw/zinc/68/85/47/1018688547.db2.gz GNBGHEKBBLEKIY-MRXNPFEDSA-N 1 2 387.549 3.504 20 30 GHEDLO C#CCOc1cccc(Cl)c1C[NH2+]Cc1cccnc1OCC(F)(F)F ZINC000778156510 1018845724 /nfs/dbraw/zinc/84/57/24/1018845724.db2.gz VNSJYYUFIZGPPW-UHFFFAOYSA-N 1 2 384.785 3.978 20 30 GHEDLO CC(C)(C)OC(=O)N1CCN(c2ccc(NC3=CC[C@@H](C#N)CC3)c[nH+]2)CC1 ZINC001212854711 1019469895 /nfs/dbraw/zinc/46/98/95/1019469895.db2.gz KLPXFAZJPNQWFF-MRXNPFEDSA-N 1 2 383.496 3.758 20 30 GHEDLO C=CCn1c(CC(F)(F)F)nnc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000570841131 1019645585 /nfs/dbraw/zinc/64/55/85/1019645585.db2.gz BWDRQFJQMIZICO-UHFFFAOYSA-N 1 2 399.848 3.545 20 30 GHEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000633036225 1020921007 /nfs/dbraw/zinc/92/10/07/1020921007.db2.gz HYOUUEJDRNZUEJ-UHFFFAOYSA-N 1 2 377.492 3.797 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1ccc(Cl)cc1O)CC2 ZINC001140467907 1021762241 /nfs/dbraw/zinc/76/22/41/1021762241.db2.gz ZWOWENKRCKALIK-UHFFFAOYSA-N 1 2 387.911 3.913 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1ccc(Cl)cc1O)CC2 ZINC001140467907 1021762252 /nfs/dbraw/zinc/76/22/52/1021762252.db2.gz ZWOWENKRCKALIK-UHFFFAOYSA-N 1 2 387.911 3.913 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(OC)c(OCC2CC2)c1 ZINC001140489374 1021810770 /nfs/dbraw/zinc/81/07/70/1021810770.db2.gz MVURLHCKCWVALV-HXUWFJFHSA-N 1 2 397.519 3.520 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(OC)c(OCC2CC2)c1 ZINC001140489374 1021810793 /nfs/dbraw/zinc/81/07/93/1021810793.db2.gz MVURLHCKCWVALV-HXUWFJFHSA-N 1 2 397.519 3.520 20 30 GHEDLO Cn1ncc2c1C[N@H+](Cc1cc(C#N)ccc1Cl)C[C@@H]2COc1cccnc1 ZINC001140599238 1022042559 /nfs/dbraw/zinc/04/25/59/1022042559.db2.gz UJZIYPKYVISVSV-QGZVFWFLSA-N 1 2 393.878 3.519 20 30 GHEDLO Cn1ncc2c1C[N@@H+](Cc1cc(C#N)ccc1Cl)C[C@@H]2COc1cccnc1 ZINC001140599238 1022042568 /nfs/dbraw/zinc/04/25/68/1022042568.db2.gz UJZIYPKYVISVSV-QGZVFWFLSA-N 1 2 393.878 3.519 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@]12CCC[N@H+](Cc1cc(F)c(C#N)c(F)c1)C2 ZINC001140752808 1022434438 /nfs/dbraw/zinc/43/44/38/1022434438.db2.gz OOGAIBNRBQDVEQ-FQEVSTJZSA-N 1 2 377.435 3.812 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@]12CCC[N@@H+](Cc1cc(F)c(C#N)c(F)c1)C2 ZINC001140752808 1022434448 /nfs/dbraw/zinc/43/44/48/1022434448.db2.gz OOGAIBNRBQDVEQ-FQEVSTJZSA-N 1 2 377.435 3.812 20 30 GHEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3ccc(Cl)c(C#N)c3)CC2)cc1 ZINC000754308855 1022603504 /nfs/dbraw/zinc/60/35/04/1022603504.db2.gz PFVIERFEHXXCED-UHFFFAOYSA-N 1 2 382.895 3.676 20 30 GHEDLO C#CCOc1cccc(Cl)c1C[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC001204809259 1033098831 /nfs/dbraw/zinc/09/88/31/1033098831.db2.gz YMOXIZJELJVNNE-UHFFFAOYSA-N 1 2 384.907 3.821 20 30 GHEDLO C#CCOc1cccc(Cl)c1C[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC001204809259 1033098842 /nfs/dbraw/zinc/09/88/42/1033098842.db2.gz YMOXIZJELJVNNE-UHFFFAOYSA-N 1 2 384.907 3.821 20 30 GHEDLO C#CCN(C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CCCC1 ZINC000755098368 1023072580 /nfs/dbraw/zinc/07/25/80/1023072580.db2.gz IHCAIGOVGBYWFE-RTBURBONSA-N 1 2 377.891 3.812 20 30 GHEDLO C#CCN(C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CCCC1 ZINC000755098368 1023072586 /nfs/dbraw/zinc/07/25/86/1023072586.db2.gz IHCAIGOVGBYWFE-RTBURBONSA-N 1 2 377.891 3.812 20 30 GHEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000755307879 1023184119 /nfs/dbraw/zinc/18/41/19/1023184119.db2.gz MYUZDGJYMCSGJN-RXVVDRJESA-N 1 2 390.487 3.505 20 30 GHEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000755307879 1023184127 /nfs/dbraw/zinc/18/41/27/1023184127.db2.gz MYUZDGJYMCSGJN-RXVVDRJESA-N 1 2 390.487 3.505 20 30 GHEDLO N#Cc1c(N)sc(C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)c1Cl ZINC001141114610 1023531899 /nfs/dbraw/zinc/53/18/99/1023531899.db2.gz SXDBNWGXIBHSGJ-UHFFFAOYSA-N 1 2 378.904 3.702 20 30 GHEDLO N#Cc1c(N)sc(C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)c1Cl ZINC001141114610 1023531904 /nfs/dbraw/zinc/53/19/04/1023531904.db2.gz SXDBNWGXIBHSGJ-UHFFFAOYSA-N 1 2 378.904 3.702 20 30 GHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c1=S ZINC000756870781 1023842674 /nfs/dbraw/zinc/84/26/74/1023842674.db2.gz BKNTUODCFBBVDN-RTBURBONSA-N 1 2 384.549 3.649 20 30 GHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+]2CCC[C@@H]3COCC[C@H]32)c1=S ZINC000756870781 1023842680 /nfs/dbraw/zinc/84/26/80/1023842680.db2.gz BKNTUODCFBBVDN-RTBURBONSA-N 1 2 384.549 3.649 20 30 GHEDLO N#Cc1ccc2cc[nH+]c(NC[C@H]3CN(Cc4ccc(F)cc4)CCO3)c2c1 ZINC001156666097 1033167507 /nfs/dbraw/zinc/16/75/07/1033167507.db2.gz XANHQDOTSUMLQT-FQEVSTJZSA-N 1 2 376.435 3.558 20 30 GHEDLO N#Cc1cc(F)ccc1C[NH+]1CCC(O)(c2ccc(Br)cc2)CC1 ZINC001141163446 1023990134 /nfs/dbraw/zinc/99/01/34/1023990134.db2.gz FIYWBJOSOYDMRK-UHFFFAOYSA-N 1 2 389.268 3.943 20 30 GHEDLO C[C@@H](C#N)OCC[N@H+](Cc1ccccn1)Cc1ccc(Br)cc1F ZINC000831043126 1024327202 /nfs/dbraw/zinc/32/72/02/1024327202.db2.gz LMDQGRDTDGINSN-AWEZNQCLSA-N 1 2 392.272 3.914 20 30 GHEDLO C[C@@H](C#N)OCC[N@@H+](Cc1ccccn1)Cc1ccc(Br)cc1F ZINC000831043126 1024327222 /nfs/dbraw/zinc/32/72/22/1024327222.db2.gz LMDQGRDTDGINSN-AWEZNQCLSA-N 1 2 392.272 3.914 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)ccc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000831193649 1024414429 /nfs/dbraw/zinc/41/44/29/1024414429.db2.gz PHJZNZLCQYGUNU-ROUUACIJSA-N 1 2 375.806 3.665 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)c2cc(C#N)ccc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000831193649 1024414435 /nfs/dbraw/zinc/41/44/35/1024414435.db2.gz PHJZNZLCQYGUNU-ROUUACIJSA-N 1 2 375.806 3.665 20 30 GHEDLO C=C(C)COc1ccccc1C[N@@H+]1Cc2nnn(CC3CC3)c2[C@H](COCC)C1 ZINC001138662090 1025183015 /nfs/dbraw/zinc/18/30/15/1025183015.db2.gz OMODLEUPWIFBLM-FQEVSTJZSA-N 1 2 396.535 3.779 20 30 GHEDLO C=C(C)COc1ccccc1C[N@H+]1Cc2nnn(CC3CC3)c2[C@H](COCC)C1 ZINC001138662090 1025183018 /nfs/dbraw/zinc/18/30/18/1025183018.db2.gz OMODLEUPWIFBLM-FQEVSTJZSA-N 1 2 396.535 3.779 20 30 GHEDLO C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000838837690 1025390376 /nfs/dbraw/zinc/39/03/76/1025390376.db2.gz HKQDYEHXIQYJCQ-CQSZACIVSA-N 1 2 388.468 3.592 20 30 GHEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC([C@@H](O)c2cc(F)ccc2F)CC1 ZINC000839152615 1025650850 /nfs/dbraw/zinc/65/08/50/1025650850.db2.gz SBSMXEJRHLLHAB-HXUWFJFHSA-N 1 2 387.386 3.690 20 30 GHEDLO CC(C)(CC#N)C[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000839163539 1025671792 /nfs/dbraw/zinc/67/17/92/1025671792.db2.gz OMLIQEHLJGLEGJ-UHFFFAOYSA-N 1 2 376.092 3.947 20 30 GHEDLO N#Cc1cccc(-c2nnc(C[NH+]3CCC(Oc4ccc(Cl)cn4)CC3)o2)c1 ZINC000839202845 1025720666 /nfs/dbraw/zinc/72/06/66/1025720666.db2.gz PSVMIWCOBSLXGZ-UHFFFAOYSA-N 1 2 395.850 3.700 20 30 GHEDLO Cn1ccnc1C[NH+]1CCC(C(=O)Nc2scc(C(C)(C)C)c2C#N)CC1 ZINC000839370314 1025855822 /nfs/dbraw/zinc/85/58/22/1025855822.db2.gz VHPTVJCBWAZCBR-UHFFFAOYSA-N 1 2 385.537 3.501 20 30 GHEDLO N#CCOc1ccc(Cl)cc1C[N@@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000839644094 1026153325 /nfs/dbraw/zinc/15/33/25/1026153325.db2.gz NVRIRIGCDGZOIB-OAQYLSRUSA-N 1 2 382.847 3.852 20 30 GHEDLO N#CCOc1ccc(Cl)cc1C[N@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000839644094 1026153332 /nfs/dbraw/zinc/15/33/32/1026153332.db2.gz NVRIRIGCDGZOIB-OAQYLSRUSA-N 1 2 382.847 3.852 20 30 GHEDLO N#Cc1ccnc(-c2ccc(C[N@@H+]3CCO[C@@H](COc4ccccc4)C3)cc2)c1 ZINC001139405570 1026277107 /nfs/dbraw/zinc/27/71/07/1026277107.db2.gz UYGZAJKOCCEVKU-HSZRJFAPSA-N 1 2 385.467 3.900 20 30 GHEDLO N#Cc1ccnc(-c2ccc(C[N@H+]3CCO[C@@H](COc4ccccc4)C3)cc2)c1 ZINC001139405570 1026277117 /nfs/dbraw/zinc/27/71/17/1026277117.db2.gz UYGZAJKOCCEVKU-HSZRJFAPSA-N 1 2 385.467 3.900 20 30 GHEDLO CC(C)(C)OC(=O)Nc1ncc(NC(=[NH2+])c2ccc(C(F)(F)F)cc2)cn1 ZINC001163680142 1026280578 /nfs/dbraw/zinc/28/05/78/1026280578.db2.gz JKVPRJYJZPUMOP-UHFFFAOYSA-N 1 2 381.358 3.879 20 30 GHEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1CC[C@@H](c2cccc(Br)c2)C1=O ZINC000839960067 1026375895 /nfs/dbraw/zinc/37/58/95/1026375895.db2.gz NOIHJMPJQMQDIN-IBGZPJMESA-N 1 2 398.304 3.726 20 30 GHEDLO C[N@H+](Cc1cccc(C#N)c1)CN1CC[C@@H](c2cccc(Br)c2)C1=O ZINC000839960067 1026375900 /nfs/dbraw/zinc/37/59/00/1026375900.db2.gz NOIHJMPJQMQDIN-IBGZPJMESA-N 1 2 398.304 3.726 20 30 GHEDLO C=CCOC[C@H]1C[N@@H+](Cc2cc(C)ccc2OCC)Cc2nnn(CC3CC3)c21 ZINC001139603659 1026466847 /nfs/dbraw/zinc/46/68/47/1026466847.db2.gz QFYKNCFMJAJCMY-HXUWFJFHSA-N 1 2 396.535 3.697 20 30 GHEDLO C=CCOC[C@H]1C[N@H+](Cc2cc(C)ccc2OCC)Cc2nnn(CC3CC3)c21 ZINC001139603659 1026466854 /nfs/dbraw/zinc/46/68/54/1026466854.db2.gz QFYKNCFMJAJCMY-HXUWFJFHSA-N 1 2 396.535 3.697 20 30 GHEDLO N#Cc1c(Cl)cccc1C[N@@H+]1CC[C@H]2O[C@@H](COCc3cccnc3)CC[C@H]21 ZINC001139688672 1026539643 /nfs/dbraw/zinc/53/96/43/1026539643.db2.gz BDQSNZBTRPVFIK-STZQEDGTSA-N 1 2 397.906 3.945 20 30 GHEDLO N#Cc1c(Cl)cccc1C[N@H+]1CC[C@H]2O[C@@H](COCc3cccnc3)CC[C@H]21 ZINC001139688672 1026539649 /nfs/dbraw/zinc/53/96/49/1026539649.db2.gz BDQSNZBTRPVFIK-STZQEDGTSA-N 1 2 397.906 3.945 20 30 GHEDLO CCn1ncc2c1C[N@H+](Cc1c[nH]c3c1cccc3C#N)C[C@H]2COCC1CC1 ZINC001139704716 1026548753 /nfs/dbraw/zinc/54/87/53/1026548753.db2.gz XIFJOCUAXALPGV-IBGZPJMESA-N 1 2 389.503 3.782 20 30 GHEDLO CCn1ncc2c1C[N@@H+](Cc1c[nH]c3c1cccc3C#N)C[C@H]2COCC1CC1 ZINC001139704716 1026548761 /nfs/dbraw/zinc/54/87/61/1026548761.db2.gz XIFJOCUAXALPGV-IBGZPJMESA-N 1 2 389.503 3.782 20 30 GHEDLO N#C[C@@H]1C[NH2+]CCN1C(F)(F)c1ccccc1-c1nc(Cl)c2ccccc2n1 ZINC001164676009 1026574115 /nfs/dbraw/zinc/57/41/15/1026574115.db2.gz XSDRKDFQFSUEJT-CYBMUJFWSA-N 1 2 399.832 3.797 20 30 GHEDLO C=CCOCc1nn(C)c2c1CN(c1cc(C)c3cc(OC)ccc3[nH+]1)CC2 ZINC001165790085 1026838773 /nfs/dbraw/zinc/83/87/73/1026838773.db2.gz QRHWAMMNOGCPNU-UHFFFAOYSA-N 1 2 378.476 3.551 20 30 GHEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(Br)c(F)c1)C2 ZINC001140212400 1026987103 /nfs/dbraw/zinc/98/71/03/1026987103.db2.gz IUHDYOHGSBGVSI-MAUKXSAKSA-N 1 2 384.289 3.914 20 30 GHEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(Br)c(F)c1)C2 ZINC001140212400 1026987106 /nfs/dbraw/zinc/98/71/06/1026987106.db2.gz IUHDYOHGSBGVSI-MAUKXSAKSA-N 1 2 384.289 3.914 20 30 GHEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1=S ZINC000840113876 1027217772 /nfs/dbraw/zinc/21/77/72/1027217772.db2.gz GEFVTAIFVQTVRF-GUDVDZBRSA-N 1 2 399.564 3.635 20 30 GHEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1=S ZINC000840113876 1027217792 /nfs/dbraw/zinc/21/77/92/1027217792.db2.gz GEFVTAIFVQTVRF-GUDVDZBRSA-N 1 2 399.564 3.635 20 30 GHEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1=S ZINC000840114102 1027222448 /nfs/dbraw/zinc/22/24/48/1027222448.db2.gz DZLUOECEECSLDZ-BHIYHBOVSA-N 1 2 399.564 3.635 20 30 GHEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1=S ZINC000840114102 1027222478 /nfs/dbraw/zinc/22/24/78/1027222478.db2.gz DZLUOECEECSLDZ-BHIYHBOVSA-N 1 2 399.564 3.635 20 30 GHEDLO C=CCn1c(C)nn(C[N@@H+]2CCC[C@H](CCC(=O)OC(C)(C)C)C2)c1=S ZINC000840190351 1027330908 /nfs/dbraw/zinc/33/09/08/1027330908.db2.gz UJYQGEOEHGIAGO-MRXNPFEDSA-N 1 2 380.558 3.700 20 30 GHEDLO C=CCn1c(C)nn(C[N@H+]2CCC[C@H](CCC(=O)OC(C)(C)C)C2)c1=S ZINC000840190351 1027330919 /nfs/dbraw/zinc/33/09/19/1027330919.db2.gz UJYQGEOEHGIAGO-MRXNPFEDSA-N 1 2 380.558 3.700 20 30 GHEDLO CC(C)OCC[NH+](CCOC(C)C)Cc1ccc(Br)cc1C#N ZINC001141813294 1027346421 /nfs/dbraw/zinc/34/64/21/1027346421.db2.gz HDXOTXMMVANDGD-UHFFFAOYSA-N 1 2 383.330 3.973 20 30 GHEDLO Cc1ccc(C#N)cc1Nc1cncnc1[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001210498188 1027534655 /nfs/dbraw/zinc/53/46/55/1027534655.db2.gz LGBQKPIRAJQVFH-QFIPXVFZSA-N 1 2 385.471 3.974 20 30 GHEDLO Cc1ccc(C#N)cc1Nc1cncnc1[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001210498188 1027534675 /nfs/dbraw/zinc/53/46/75/1027534675.db2.gz LGBQKPIRAJQVFH-QFIPXVFZSA-N 1 2 385.471 3.974 20 30 GHEDLO C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(F)c(Br)c1F)CC2 ZINC001277027761 1031320949 /nfs/dbraw/zinc/32/09/49/1031320949.db2.gz AMQYWCYGKXDRBB-CYBMUJFWSA-N 1 2 399.279 3.632 20 30 GHEDLO N#Cc1cccc([C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C(F)(F)F)c1 ZINC001219912289 1031689470 /nfs/dbraw/zinc/68/94/70/1031689470.db2.gz OIYSWHHTFPWXNY-SFHVURJKSA-N 1 2 399.376 3.847 20 30 GHEDLO C=CC[NH+]1CCN(C(=O)c2[nH]c3ccccc3c2-c2ccc(OC)cc2)CC1 ZINC001156959549 1033342179 /nfs/dbraw/zinc/34/21/79/1033342179.db2.gz RXBYZNUWCFVDSN-UHFFFAOYSA-N 1 2 375.472 3.787 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CCCc4c(F)cccc43)CC2)cc1 ZINC001229311993 1033410828 /nfs/dbraw/zinc/41/08/28/1033410828.db2.gz UKKLPTNVAABIGG-QFIPXVFZSA-N 1 2 392.478 3.602 20 30 GHEDLO N#Cc1cc(C[N@@H+]2CCO[C@]3(CCC[C@H]3COCc3cccnc3)C2)ccc1F ZINC001205467506 1033425371 /nfs/dbraw/zinc/42/53/71/1033425371.db2.gz SSMNMOVEUYRJHB-JTHBVZDNSA-N 1 2 395.478 3.680 20 30 GHEDLO N#Cc1cc(C[N@H+]2CCO[C@]3(CCC[C@H]3COCc3cccnc3)C2)ccc1F ZINC001205467506 1033425376 /nfs/dbraw/zinc/42/53/76/1033425376.db2.gz SSMNMOVEUYRJHB-JTHBVZDNSA-N 1 2 395.478 3.680 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(O[C@@H]4CCOC4)cc3)CC2)c(Cl)c1 ZINC001205556018 1033469780 /nfs/dbraw/zinc/46/97/80/1033469780.db2.gz ZZIOHHBYPYMMJF-HXUWFJFHSA-N 1 2 397.906 3.702 20 30 GHEDLO CCOC(=O)[C@@H](CC(C)C)Oc1nc(C)c(-c2ccc3[nH+]ccn3c2)cc1C#N ZINC001229767375 1033699499 /nfs/dbraw/zinc/69/94/99/1033699499.db2.gz BHCWETRZUNNZJO-LJQANCHMSA-N 1 2 392.459 3.933 20 30 GHEDLO Cc1sc2nc(C[NH+]3CCCC3)nc(NC=CC(=O)C(F)(F)F)c2c1C ZINC001158557847 1034154254 /nfs/dbraw/zinc/15/42/54/1034154254.db2.gz HWCCHEDPCLWWGE-AATRIKPKSA-N 1 2 384.427 3.961 20 30 GHEDLO N#Cc1cc(Cl)cnc1N1CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1 ZINC001158813412 1034282341 /nfs/dbraw/zinc/28/23/41/1034282341.db2.gz FUVSLMMDDZOLLW-UHFFFAOYSA-N 1 2 386.858 3.531 20 30 GHEDLO COc1cc(C#N)ccc1C[N@@H+]1CCO[C@]2(CCCN(c3cccc(C)c3)C2)C1 ZINC001231618608 1034776632 /nfs/dbraw/zinc/77/66/32/1034776632.db2.gz JQGROVKIEDZLMB-XMMPIXPASA-N 1 2 391.515 3.747 20 30 GHEDLO COc1cc(C#N)ccc1C[N@H+]1CCO[C@]2(CCCN(c3cccc(C)c3)C2)C1 ZINC001231618608 1034776643 /nfs/dbraw/zinc/77/66/43/1034776643.db2.gz JQGROVKIEDZLMB-XMMPIXPASA-N 1 2 391.515 3.747 20 30 GHEDLO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1nc(Br)ccc1F)C2 ZINC001231940057 1034999818 /nfs/dbraw/zinc/99/98/18/1034999818.db2.gz GHYFQTIPQIOYAK-FUHWJXTLSA-N 1 2 399.304 3.557 20 30 GHEDLO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1nc(Br)ccc1F)C2 ZINC001231940057 1034999822 /nfs/dbraw/zinc/99/98/22/1034999822.db2.gz GHYFQTIPQIOYAK-FUHWJXTLSA-N 1 2 399.304 3.557 20 30 GHEDLO N#Cc1cc(F)cnc1NCc1c[nH+]cn1Cc1ccccc1Br ZINC001161519648 1035248019 /nfs/dbraw/zinc/24/80/19/1035248019.db2.gz IUEQPRCHPGMYFI-UHFFFAOYSA-N 1 2 386.228 3.712 20 30 GHEDLO C=CCCCCC[N@@H+]1CCc2c(nnn2CC2CC2)[C@@H]1COCc1cccnc1 ZINC001209425074 1035272058 /nfs/dbraw/zinc/27/20/58/1035272058.db2.gz ZCLJZZLUBPDYFD-QFIPXVFZSA-N 1 2 395.551 3.946 20 30 GHEDLO C=CCCCCC[N@H+]1CCc2c(nnn2CC2CC2)[C@@H]1COCc1cccnc1 ZINC001209425074 1035272064 /nfs/dbraw/zinc/27/20/64/1035272064.db2.gz ZCLJZZLUBPDYFD-QFIPXVFZSA-N 1 2 395.551 3.946 20 30 GHEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1cc(Cl)cn3ccnc13)CCO2 ZINC001248443132 1035860107 /nfs/dbraw/zinc/86/01/07/1035860107.db2.gz JIYAVDDUDZTDGN-FXAWDEMLSA-N 1 2 375.900 3.561 20 30 GHEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1cc(Cl)cn3ccnc13)CCO2 ZINC001248443132 1035860129 /nfs/dbraw/zinc/86/01/29/1035860129.db2.gz JIYAVDDUDZTDGN-FXAWDEMLSA-N 1 2 375.900 3.561 20 30 GHEDLO N#Cc1cc(F)cc(-c2noc([C@H]3[NH2+]CCc4cc(Br)ccc43)n2)c1 ZINC001248631221 1036008646 /nfs/dbraw/zinc/00/86/46/1036008646.db2.gz SSOQFIPUDAKZKI-INIZCTEOSA-N 1 2 399.223 3.745 20 30 GHEDLO N#CC1(c2ccc(-c3cc(F)ccc3C[NH+]3CCOCC3)cc2)CCOCC1 ZINC001243084262 1036026856 /nfs/dbraw/zinc/02/68/56/1036026856.db2.gz IJYTZZLKOCUYFO-UHFFFAOYSA-N 1 2 380.463 3.897 20 30 GHEDLO N#Cc1c(F)c(F)c(-c2ccc(OCC[NH+]3CCOCC3)cc2F)c(F)c1F ZINC001244135113 1036387589 /nfs/dbraw/zinc/38/75/89/1036387589.db2.gz KSBBKQJGMHIIHP-UHFFFAOYSA-N 1 2 398.331 3.632 20 30 GHEDLO N#Cc1cc(Br)ccc1-c1noc([C@@H]([NH3+])COCc2ccccc2)n1 ZINC001247657910 1038298257 /nfs/dbraw/zinc/29/82/57/1038298257.db2.gz NGQRHMJDKRHJCR-INIZCTEOSA-N 1 2 399.248 3.587 20 30 GHEDLO N#Cc1ccc(O)c(C[NH+]2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC001232674080 1038471922 /nfs/dbraw/zinc/47/19/22/1038471922.db2.gz RKFMYZVWEUOEFS-UHFFFAOYSA-N 1 2 376.378 3.766 20 30 GHEDLO Cc1nsc(N2CC[NH+](Cc3ccccc3CC(F)(F)F)CC2)c1C#N ZINC001462292679 1070149866 /nfs/dbraw/zinc/14/98/66/1070149866.db2.gz RQXZWEOTESKHML-UHFFFAOYSA-N 1 2 380.439 3.750 20 30 GHEDLO N#Cc1cc(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)ccc1Br ZINC001232893520 1038683896 /nfs/dbraw/zinc/68/38/96/1038683896.db2.gz JCAQVGWSGRLZHX-CQSZACIVSA-N 1 2 377.204 3.600 20 30 GHEDLO N#Cc1cc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)ccc1Br ZINC001232893520 1038683902 /nfs/dbraw/zinc/68/39/02/1038683902.db2.gz JCAQVGWSGRLZHX-CQSZACIVSA-N 1 2 377.204 3.600 20 30 GHEDLO N#Cc1cc(C[N@H+]2CCCC[C@](O)(C(F)(F)F)C2)ccc1Br ZINC001232894337 1038685740 /nfs/dbraw/zinc/68/57/40/1038685740.db2.gz YFCHJJAXTAZDKD-CQSZACIVSA-N 1 2 377.204 3.600 20 30 GHEDLO N#Cc1cc(C[N@@H+]2CCCC[C@](O)(C(F)(F)F)C2)ccc1Br ZINC001232894337 1038685747 /nfs/dbraw/zinc/68/57/47/1038685747.db2.gz YFCHJJAXTAZDKD-CQSZACIVSA-N 1 2 377.204 3.600 20 30 GHEDLO C=CCOCc1ncn2c1C[N@H+](Cc1c(F)cc(Cl)cc1OC)CCC2 ZINC001233001181 1038761930 /nfs/dbraw/zinc/76/19/30/1038761930.db2.gz ZAJYGCKIKJURFD-UHFFFAOYSA-N 1 2 379.863 3.793 20 30 GHEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1c(F)cc(Cl)cc1OC)CCC2 ZINC001233001181 1038761936 /nfs/dbraw/zinc/76/19/36/1038761936.db2.gz ZAJYGCKIKJURFD-UHFFFAOYSA-N 1 2 379.863 3.793 20 30 GHEDLO COc1cc2c(cc1OC)C(=O)[C@@H](CC1CC[NH+](Cc3[nH]ccc3C#N)CC1)C2 ZINC001233046869 1038805787 /nfs/dbraw/zinc/80/57/87/1038805787.db2.gz KEYMXMZJQSCLEC-SFHVURJKSA-N 1 2 393.487 3.561 20 30 GHEDLO C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(N(C)C)c(C#N)c1F ZINC001233102206 1038882607 /nfs/dbraw/zinc/88/26/07/1038882607.db2.gz SBKJHLAYZKWSJP-ZBFHGGJFSA-N 1 2 390.503 3.641 20 30 GHEDLO C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(N(C)C)c(C#N)c1F ZINC001233102206 1038882622 /nfs/dbraw/zinc/88/26/22/1038882622.db2.gz SBKJHLAYZKWSJP-ZBFHGGJFSA-N 1 2 390.503 3.641 20 30 GHEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1C[C@@H](O)CCCCCCCCCC ZINC001252980831 1039309519 /nfs/dbraw/zinc/30/95/19/1039309519.db2.gz ZOYKSEIOEUIGBR-FPOVZHCZSA-N 1 2 392.588 3.809 20 30 GHEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1C[C@@H](O)CCCCCCCCCC ZINC001252980831 1039309533 /nfs/dbraw/zinc/30/95/33/1039309533.db2.gz ZOYKSEIOEUIGBR-FPOVZHCZSA-N 1 2 392.588 3.809 20 30 GHEDLO CCCCCCCCCCCCOCCOC[C@H](O)C[N@@H+]1CCC12COC2 ZINC001253615888 1039727254 /nfs/dbraw/zinc/72/72/54/1039727254.db2.gz OFZYGDICQLXCKH-OAQYLSRUSA-N 1 2 385.589 3.776 20 30 GHEDLO CCCCCCCCCCCCOCCOC[C@H](O)C[N@H+]1CCC12COC2 ZINC001253615888 1039727278 /nfs/dbraw/zinc/72/72/78/1039727278.db2.gz OFZYGDICQLXCKH-OAQYLSRUSA-N 1 2 385.589 3.776 20 30 GHEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ncc(Br)c4ccc(Cl)cc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001233969902 1039733172 /nfs/dbraw/zinc/73/31/72/1039733172.db2.gz MZZNIRXRLIKDQH-VMMDLRTJSA-N 1 2 395.684 3.642 20 30 GHEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ncc(Br)c4ccc(Cl)cc43)C[C@H]1[C@@H]1O[C@@H]12 ZINC001233969902 1039733193 /nfs/dbraw/zinc/73/31/93/1039733193.db2.gz MZZNIRXRLIKDQH-VMMDLRTJSA-N 1 2 395.684 3.642 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2ncccc2C(=O)c2ccccc2)C1 ZINC001234662411 1040197300 /nfs/dbraw/zinc/19/73/00/1040197300.db2.gz DTKJFJWQKKTCDM-NRFANRHFSA-N 1 2 383.451 3.838 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2ncccc2C(=O)c2ccccc2)C1 ZINC001234662411 1040197308 /nfs/dbraw/zinc/19/73/08/1040197308.db2.gz DTKJFJWQKKTCDM-NRFANRHFSA-N 1 2 383.451 3.838 20 30 GHEDLO C=C[C@@H]1C[C@@]1([NH2+]C1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1)C(=O)OCC ZINC001254874004 1040618618 /nfs/dbraw/zinc/61/86/18/1040618618.db2.gz WGAHSTXYBIBGCX-NUOXTXISSA-N 1 2 392.540 3.654 20 30 GHEDLO Cn1cnc2c1[C@H](COCC1CCCC1)C[N@H+](Cc1ccccc1CC#N)C2 ZINC001235513585 1040970307 /nfs/dbraw/zinc/97/03/07/1040970307.db2.gz DCHYFHFJUYJTIH-NRFANRHFSA-N 1 2 378.520 3.792 20 30 GHEDLO Cn1cnc2c1[C@H](COCC1CCCC1)C[N@@H+](Cc1ccccc1CC#N)C2 ZINC001235513585 1040970310 /nfs/dbraw/zinc/97/03/10/1040970310.db2.gz DCHYFHFJUYJTIH-NRFANRHFSA-N 1 2 378.520 3.792 20 30 GHEDLO N#Cc1cc(F)c(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)c(F)c1 ZINC001235654281 1041099732 /nfs/dbraw/zinc/09/97/32/1041099732.db2.gz NYAYMQSBLCAPHZ-RBBKRZOGSA-N 1 2 399.441 3.682 20 30 GHEDLO N#Cc1cc(F)c(C[N@H+]2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)c(F)c1 ZINC001235654281 1041099744 /nfs/dbraw/zinc/09/97/44/1041099744.db2.gz NYAYMQSBLCAPHZ-RBBKRZOGSA-N 1 2 399.441 3.682 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(-c2ccccc2F)nc1 ZINC001236989896 1041980539 /nfs/dbraw/zinc/98/05/39/1041980539.db2.gz FTBJHLHUROYVBU-QFIPXVFZSA-N 1 2 392.478 3.923 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(-c2ccccc2F)nc1 ZINC001236989896 1041980540 /nfs/dbraw/zinc/98/05/40/1041980540.db2.gz FTBJHLHUROYVBU-QFIPXVFZSA-N 1 2 392.478 3.923 20 30 GHEDLO COc1cc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c(Br)c(OC)c1OC ZINC001237951312 1042435726 /nfs/dbraw/zinc/43/57/26/1042435726.db2.gz FBQWTPQKVIEPLK-DEZZGGKRSA-N 1 2 395.297 3.741 20 30 GHEDLO COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c(Br)c(OC)c1OC ZINC001237951312 1042435728 /nfs/dbraw/zinc/43/57/28/1042435728.db2.gz FBQWTPQKVIEPLK-DEZZGGKRSA-N 1 2 395.297 3.741 20 30 GHEDLO COc1cc(C[N@@H+]2CCC[C@@H](C#N)CC2)c(Br)c(OC)c1OC ZINC001237961285 1042438728 /nfs/dbraw/zinc/43/87/28/1042438728.db2.gz BKVHHLBQYYORGP-GFCCVEGCSA-N 1 2 383.286 3.601 20 30 GHEDLO COc1cc(C[N@H+]2CCC[C@@H](C#N)CC2)c(Br)c(OC)c1OC ZINC001237961285 1042438730 /nfs/dbraw/zinc/43/87/30/1042438730.db2.gz BKVHHLBQYYORGP-GFCCVEGCSA-N 1 2 383.286 3.601 20 30 GHEDLO CCN(Cc1ccc(C#N)cc1Cl)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001238089049 1042487955 /nfs/dbraw/zinc/48/79/55/1042487955.db2.gz OLTVTYIPBNPGDO-OAQYLSRUSA-N 1 2 383.923 3.935 20 30 GHEDLO CCN(Cc1ccc(C#N)cc1Cl)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001238089049 1042487958 /nfs/dbraw/zinc/48/79/58/1042487958.db2.gz OLTVTYIPBNPGDO-OAQYLSRUSA-N 1 2 383.923 3.935 20 30 GHEDLO COc1cc(C[NH+]2CCC(Oc3ccc(C#N)cc3OC)CC2)c(Cl)cn1 ZINC001238354597 1042567380 /nfs/dbraw/zinc/56/73/80/1042567380.db2.gz NCUSLOOQCKZAMF-UHFFFAOYSA-N 1 2 387.867 3.667 20 30 GHEDLO Cc1nc(COCc2cnc3n2CC[N@H+](C2CCC(C#N)CC2)[C@H]3C)cs1 ZINC001256966368 1043775500 /nfs/dbraw/zinc/77/55/00/1043775500.db2.gz HEUWXKPBNZAHRL-NXVRBGIVSA-N 1 2 385.537 3.824 20 30 GHEDLO Cc1nc(COCc2cnc3n2CC[N@@H+](C2CCC(C#N)CC2)[C@H]3C)cs1 ZINC001256966368 1043775507 /nfs/dbraw/zinc/77/55/07/1043775507.db2.gz HEUWXKPBNZAHRL-NXVRBGIVSA-N 1 2 385.537 3.824 20 30 GHEDLO COC(=O)[C@H](Cc1ccc(C#N)cc1)[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257016220 1043800958 /nfs/dbraw/zinc/80/09/58/1043800958.db2.gz YPQYRLLBPJWNKL-VNXZQDSDSA-N 1 2 387.483 3.830 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[C@@H]([N@@H+]1CC[C@H]3SC(=O)C=C3C1)C2 ZINC001257810713 1044192216 /nfs/dbraw/zinc/19/22/16/1044192216.db2.gz SHIXBRWIPSNTQN-LZJOCLMNSA-N 1 2 392.565 3.830 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[C@@H]([N@H+]1CC[C@H]3SC(=O)C=C3C1)C2 ZINC001257810713 1044192225 /nfs/dbraw/zinc/19/22/25/1044192225.db2.gz SHIXBRWIPSNTQN-LZJOCLMNSA-N 1 2 392.565 3.830 20 30 GHEDLO C=C1C[C@@H]2CC([NH2+][C@H](C(=O)OC)C(C)(C)NC(=O)OC(C)(C)C)C[C@H](C1)C2 ZINC001257886877 1044244988 /nfs/dbraw/zinc/24/49/88/1044244988.db2.gz GDKWZXCIAGIGKN-FCLJQHQZSA-N 1 2 380.529 3.556 20 30 GHEDLO Cc1cn2c([nH+]1)[C@H](Cn1c(-c3ccc(C)o3)nnc1N(C)C[C@@H](C)C#N)CCC2 ZINC001304607769 1047729710 /nfs/dbraw/zinc/72/97/10/1047729710.db2.gz FOPHFPNAZJTPBZ-YOEHRIQHSA-N 1 2 393.495 3.525 20 30 GHEDLO Cc1cn2c([nH+]1)[C@@H](Cn1c(CC(C)C)nnc1N1CCC(CC#N)CC1)CCC2 ZINC001304609193 1047730234 /nfs/dbraw/zinc/73/02/34/1047730234.db2.gz SBMDQESDNKTLPY-LJQANCHMSA-N 1 2 395.555 3.689 20 30 GHEDLO C=CCCCCCC[N@H+]1CCOc2c(cc(Br)cc2C(N)=O)C1 ZINC001279832891 1047963670 /nfs/dbraw/zinc/96/36/70/1047963670.db2.gz YCQDXISVXPFKJP-UHFFFAOYSA-N 1 2 381.314 3.879 20 30 GHEDLO C=CCCCCCC[N@@H+]1CCOc2c(cc(Br)cc2C(N)=O)C1 ZINC001279832891 1047963677 /nfs/dbraw/zinc/96/36/77/1047963677.db2.gz YCQDXISVXPFKJP-UHFFFAOYSA-N 1 2 381.314 3.879 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCC2(C)CC2)CC1 ZINC001286473659 1048336475 /nfs/dbraw/zinc/33/64/75/1048336475.db2.gz VVPAOEPMUSQIRD-OAQYLSRUSA-N 1 2 391.563 3.765 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)Cc2cccs2)CC1 ZINC001286479959 1048336532 /nfs/dbraw/zinc/33/65/32/1048336532.db2.gz JFQKTQBELUKYCU-SFHVURJKSA-N 1 2 399.608 3.562 20 30 GHEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ccc([N+](=O)[O-])c(N)c2C#N)CC1 ZINC001306976983 1048989272 /nfs/dbraw/zinc/98/92/72/1048989272.db2.gz AQKVQPGSODEDLX-CYBMUJFWSA-N 1 2 385.855 3.585 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)Nc2cc(F)cc(C#N)c2)[C@@H](C)C1 ZINC001311104474 1051860112 /nfs/dbraw/zinc/86/01/12/1051860112.db2.gz VPSSQYJDBQQYJR-INIZCTEOSA-N 1 2 396.466 3.834 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)Nc2cc(F)cc(C#N)c2)[C@@H](C)C1 ZINC001311104474 1051860129 /nfs/dbraw/zinc/86/01/29/1051860129.db2.gz VPSSQYJDBQQYJR-INIZCTEOSA-N 1 2 396.466 3.834 20 30 GHEDLO N#CC1(CNC(=O)NCCN(Cc2ccccc2)c2cccc[nH+]2)CCCCC1 ZINC001313025694 1052936962 /nfs/dbraw/zinc/93/69/62/1052936962.db2.gz CYIGVMXXGFRECS-UHFFFAOYSA-N 1 2 391.519 3.861 20 30 GHEDLO CCN(CC)c1nnc(-c2cccc(C#N)c2)n1CCCNc1cccc[nH+]1 ZINC001313685954 1053171322 /nfs/dbraw/zinc/17/13/22/1053171322.db2.gz QZZGCWMEZBTQRP-UHFFFAOYSA-N 1 2 375.480 3.560 20 30 GHEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@@H](CCF)C1 ZINC001342672632 1053291979 /nfs/dbraw/zinc/29/19/79/1053291979.db2.gz IFSSBIOWDQJXGP-SFHVURJKSA-N 1 2 388.535 3.523 20 30 GHEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCc2ccccc2C1 ZINC001342676899 1053294240 /nfs/dbraw/zinc/29/42/40/1053294240.db2.gz ZWTGCLOAFJSHMR-UHFFFAOYSA-N 1 2 390.535 3.510 20 30 GHEDLO CC(C)C[C@H](c1nnc(N2CCC(C)(C#N)CC2)n1CC(C)C)n1cc[nH+]c1 ZINC001342882293 1053408026 /nfs/dbraw/zinc/40/80/26/1053408026.db2.gz WPUCGVKIFKPUII-GOSISDBHSA-N 1 2 383.544 3.896 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCO[C@@](C)(CC)C1 ZINC001343496310 1053811991 /nfs/dbraw/zinc/81/19/91/1053811991.db2.gz YJUFQQICTZXKTP-NQIIRXRSSA-N 1 2 386.544 3.692 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2Cc2ccccc2)nnc1N1CCC[C@@H](C#N)C1 ZINC001343765556 1054008156 /nfs/dbraw/zinc/00/81/56/1054008156.db2.gz PNUIJAFILRVABV-SFTDATJTSA-N 1 2 390.535 3.931 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2Cc2ccccc2)nnc1N1CCC[C@@H](C#N)C1 ZINC001343765556 1054008170 /nfs/dbraw/zinc/00/81/70/1054008170.db2.gz PNUIJAFILRVABV-SFTDATJTSA-N 1 2 390.535 3.931 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](CC)Cc2ccccc2F)cc1 ZINC001318054530 1054375785 /nfs/dbraw/zinc/37/57/85/1054375785.db2.gz MYTNODWXTWMMEC-UHFFFAOYSA-N 1 2 383.467 3.993 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](CC)Cc2ccccc2F)cc1 ZINC001318054530 1054375805 /nfs/dbraw/zinc/37/58/05/1054375805.db2.gz MYTNODWXTWMMEC-UHFFFAOYSA-N 1 2 383.467 3.993 20 30 GHEDLO Cc1ccc2[nH+]c(CSCc3nnc(COc4ccc(C#N)cc4)o3)cn2c1 ZINC001345494608 1055064524 /nfs/dbraw/zinc/06/45/24/1055064524.db2.gz QLLCSFISWMQZGM-UHFFFAOYSA-N 1 2 391.456 3.910 20 30 GHEDLO N#CCOc1ccc(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1 ZINC001319335072 1055188853 /nfs/dbraw/zinc/18/88/53/1055188853.db2.gz CDGNJJDTFOBKQY-RTWAWAEBSA-N 1 2 387.443 3.836 20 30 GHEDLO Cc1cc(C[N@@H+]2CCCN(c3c(C#N)cnc4c(F)ccc(Cl)c43)CC2)no1 ZINC001322222803 1056580060 /nfs/dbraw/zinc/58/00/60/1056580060.db2.gz PSFPSVCFMQVMEN-UHFFFAOYSA-N 1 2 399.857 3.908 20 30 GHEDLO Cc1cc(C[N@H+]2CCCN(c3c(C#N)cnc4c(F)ccc(Cl)c43)CC2)no1 ZINC001322222803 1056580070 /nfs/dbraw/zinc/58/00/70/1056580070.db2.gz PSFPSVCFMQVMEN-UHFFFAOYSA-N 1 2 399.857 3.908 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2CC(C)(C)c2ccc(F)cc2)CC1 ZINC001300682807 1056861725 /nfs/dbraw/zinc/86/17/25/1056861725.db2.gz ROUYEULXWKKLOV-GOSISDBHSA-N 1 2 397.542 3.664 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(C3CCCC3)n2C[C@@H]2CCCCC2(F)F)CC1 ZINC001300698728 1056908714 /nfs/dbraw/zinc/90/87/14/1056908714.db2.gz ZEKRIRWPWDCFOU-SFHVURJKSA-N 1 2 391.510 3.516 20 30 GHEDLO COC(=O)/C=C\c1ccc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)o1 ZINC000848908478 1057413400 /nfs/dbraw/zinc/41/34/00/1057413400.db2.gz VKYVHVSAZIOSCW-WHXUGTBJSA-N 1 2 399.878 3.502 20 30 GHEDLO C=C(C)Cn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC[C@H](COC)C1 ZINC001356200506 1057426234 /nfs/dbraw/zinc/42/62/34/1057426234.db2.gz STPBVWBKRXKCHR-CTNGQTDRSA-N 1 2 397.567 3.910 20 30 GHEDLO C=C(C)Cn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC[C@H](COC)C1 ZINC001356200506 1057426237 /nfs/dbraw/zinc/42/62/37/1057426237.db2.gz STPBVWBKRXKCHR-CTNGQTDRSA-N 1 2 397.567 3.910 20 30 GHEDLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1csc(C#N)c1 ZINC001326814587 1057562775 /nfs/dbraw/zinc/56/27/75/1057562775.db2.gz KRPHBJVGQNMBGH-MGPUTAFESA-N 1 2 382.533 3.696 20 30 GHEDLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1csc(C#N)c1 ZINC001326814587 1057562781 /nfs/dbraw/zinc/56/27/81/1057562781.db2.gz KRPHBJVGQNMBGH-MGPUTAFESA-N 1 2 382.533 3.696 20 30 GHEDLO Cc1cc(F)ccc1[C@H]1CCCN1c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001338297202 1058501722 /nfs/dbraw/zinc/50/17/22/1058501722.db2.gz IVRXTEJGHLABSK-HXUWFJFHSA-N 1 2 396.514 3.697 20 30 GHEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC(COC)CC1 ZINC001338996284 1058919030 /nfs/dbraw/zinc/91/90/30/1058919030.db2.gz YEJLKQRJNHFXHU-GOSISDBHSA-N 1 2 383.540 3.520 20 30 GHEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC(COC)CC1 ZINC001338996284 1058919032 /nfs/dbraw/zinc/91/90/32/1058919032.db2.gz YEJLKQRJNHFXHU-GOSISDBHSA-N 1 2 383.540 3.520 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC[C@@H](c2nccs2)C1 ZINC001339021393 1058927256 /nfs/dbraw/zinc/92/72/56/1058927256.db2.gz BVKDFRBJKZMGKQ-IAGOWNOFSA-N 1 2 397.552 3.747 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)[C@H](C)c1ccccc1F ZINC001339369179 1059149291 /nfs/dbraw/zinc/14/92/91/1059149291.db2.gz XRYNGVIQDRDUKM-MRXNPFEDSA-N 1 2 384.503 3.728 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@]2(C1)OCc1ccccc12 ZINC001339528057 1059279273 /nfs/dbraw/zinc/27/92/73/1059279273.db2.gz AYSCMJVPAAWFBR-REWPJTCUSA-N 1 2 393.535 3.647 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@]2(C1)OCc1ccccc12 ZINC001339528057 1059279294 /nfs/dbraw/zinc/27/92/94/1059279294.db2.gz AYSCMJVPAAWFBR-REWPJTCUSA-N 1 2 393.535 3.647 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCCC[C@H](COC)C1 ZINC001339796750 1059479463 /nfs/dbraw/zinc/47/94/63/1059479463.db2.gz WOOXJJYEHTZHRU-RBUKOAKNSA-N 1 2 386.544 3.549 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCc2ccc(Cl)cc2C1 ZINC001340152416 1059730600 /nfs/dbraw/zinc/73/06/00/1059730600.db2.gz PSRKKOXTVQAEQV-UHFFFAOYSA-N 1 2 398.942 3.607 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC[C@H](OCC(C)C)C1 ZINC001340517730 1059959613 /nfs/dbraw/zinc/95/96/13/1059959613.db2.gz YTQMFDYUPLIUFM-RBUKOAKNSA-N 1 2 386.544 3.547 20 30 GHEDLO CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)C1 ZINC001340540595 1059968650 /nfs/dbraw/zinc/96/86/50/1059968650.db2.gz OSWRVNKCTCFGOO-ICSRJNTNSA-N 1 2 391.519 3.566 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC001340626811 1060000738 /nfs/dbraw/zinc/00/07/38/1060000738.db2.gz CZRFLSNLJSREMB-IHPCNDPISA-N 1 2 382.556 3.572 20 30 GHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1nc2ccc(Cl)cc2n1Cc1ccccc1 ZINC001450254747 1060563257 /nfs/dbraw/zinc/56/32/57/1060563257.db2.gz GPCLFXASGLYZJF-IBGZPJMESA-N 1 2 392.890 3.774 20 30 GHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1nc2ccc(Cl)cc2n1Cc1ccccc1 ZINC001450254747 1060563268 /nfs/dbraw/zinc/56/32/68/1060563268.db2.gz GPCLFXASGLYZJF-IBGZPJMESA-N 1 2 392.890 3.774 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N(CC)[C@H]1CCCOC1 ZINC001342037505 1061014198 /nfs/dbraw/zinc/01/41/98/1061014198.db2.gz SDAZZKXBRBZMFP-RBUKOAKNSA-N 1 2 386.544 3.692 20 30 GHEDLO CC1=CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNc2cccc[nH+]2)CC1 ZINC001492616470 1061819119 /nfs/dbraw/zinc/81/91/19/1061819119.db2.gz ZTZUZQHWUPVIJG-UHFFFAOYSA-N 1 2 399.502 3.870 20 30 GHEDLO C[C@@H]1C[C@H](C)N(c2nnc(C3CC[NH+](CCC#N)CC3)n2Cc2cccs2)C1 ZINC001348392529 1063046093 /nfs/dbraw/zinc/04/60/93/1063046093.db2.gz QZMIZEQCWMFCTB-SJORKVTESA-N 1 2 398.580 3.716 20 30 GHEDLO N#Cc1ccc(Br)cc1N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC001458072798 1063544552 /nfs/dbraw/zinc/54/45/52/1063544552.db2.gz IIZMMJHHYDPDFR-LJQANCHMSA-N 1 2 386.293 3.806 20 30 GHEDLO CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC001350055928 1063975139 /nfs/dbraw/zinc/97/51/39/1063975139.db2.gz CORKTMQCAXCFAV-VQTJNVASSA-N 1 2 389.503 3.598 20 30 GHEDLO N#Cc1ccc(N2CCC[C@@H]([N@H+](Cc3ccc(F)cc3F)C3CC3)C2=O)cc1 ZINC001459310749 1064057806 /nfs/dbraw/zinc/05/78/06/1064057806.db2.gz GNSUMWWWZQFGFB-OAQYLSRUSA-N 1 2 381.426 3.996 20 30 GHEDLO N#Cc1ccc(N2CCC[C@@H]([N@@H+](Cc3ccc(F)cc3F)C3CC3)C2=O)cc1 ZINC001459310749 1064057813 /nfs/dbraw/zinc/05/78/13/1064057813.db2.gz GNSUMWWWZQFGFB-OAQYLSRUSA-N 1 2 381.426 3.996 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(CCCOc2ccc(C#N)cc2)[C@@H](C)C1 ZINC001460007495 1064339916 /nfs/dbraw/zinc/33/99/16/1064339916.db2.gz RJOZXELCBQJUQK-FQEVSTJZSA-N 1 2 393.531 3.932 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(CCCOc2ccc(C#N)cc2)[C@@H](C)C1 ZINC001460007495 1064339925 /nfs/dbraw/zinc/33/99/25/1064339925.db2.gz RJOZXELCBQJUQK-FQEVSTJZSA-N 1 2 393.531 3.932 20 30 GHEDLO CCCCCCCCCNC(=S)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001200372848 1066007163 /nfs/dbraw/zinc/00/71/63/1066007163.db2.gz OZYWRTJLGTWAAB-UHFFFAOYSA-N 1 2 389.569 3.903 20 30 GHEDLO C=CCc1ccc(OC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c(OC)c1 ZINC001353761778 1066229973 /nfs/dbraw/zinc/22/99/73/1066229973.db2.gz DEPBJCINNWCJQP-UHFFFAOYSA-N 1 2 379.372 3.737 20 30 GHEDLO C=C[C@H](CC)CC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC001467931596 1067533016 /nfs/dbraw/zinc/53/30/16/1067533016.db2.gz FADPNTCAWBWZOZ-CQSZACIVSA-N 1 2 380.286 3.870 20 30 GHEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001467932681 1067533087 /nfs/dbraw/zinc/53/30/87/1067533087.db2.gz OBENMVGUTHWSMW-HDICACEKSA-N 1 2 383.492 3.743 20 30 GHEDLO C#C[C@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1Cc1c[nH+]ccc1OC ZINC001358873539 1067589507 /nfs/dbraw/zinc/58/95/07/1067589507.db2.gz KUTINXGRYOWLPV-PXNSSMCTSA-N 1 2 389.503 3.730 20 30 GHEDLO C=CCN(CC=C)c1nnc(C(C)C)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001359267152 1067929795 /nfs/dbraw/zinc/92/97/95/1067929795.db2.gz WRWVHQZQOKXBFF-UHFFFAOYSA-N 1 2 380.471 3.953 20 30 GHEDLO C[C@@H](c1nc(Cc2ccc(F)cc2)no1)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC001460183138 1068842418 /nfs/dbraw/zinc/84/24/18/1068842418.db2.gz DEBRLCBXNGSTIN-INIZCTEOSA-N 1 2 394.450 3.881 20 30 GHEDLO C[C@@H](c1nc(Cc2ccc(F)cc2)no1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC001460183138 1068842464 /nfs/dbraw/zinc/84/24/64/1068842464.db2.gz DEBRLCBXNGSTIN-INIZCTEOSA-N 1 2 394.450 3.881 20 30 GHEDLO C=CC[N@H+](CC(=O)N1CCc2cc(-c3csc(C)n3)ccc21)[C@@H](C)COC ZINC001460403872 1068954022 /nfs/dbraw/zinc/95/40/22/1068954022.db2.gz ACBSAVHYTAQISR-HNNXBMFYSA-N 1 2 385.533 3.531 20 30 GHEDLO C=CC[N@@H+](CC(=O)N1CCc2cc(-c3csc(C)n3)ccc21)[C@@H](C)COC ZINC001460403872 1068954027 /nfs/dbraw/zinc/95/40/27/1068954027.db2.gz ACBSAVHYTAQISR-HNNXBMFYSA-N 1 2 385.533 3.531 20 30 GHEDLO C=CCC[C@H](O)C[N@@H+]1CCc2cc(Br)c(Br)cc2C1 ZINC001460509604 1068982485 /nfs/dbraw/zinc/98/24/85/1068982485.db2.gz NZKILRFBCPJBLJ-ZDUSSCGKSA-N 1 2 389.131 3.897 20 30 GHEDLO C=CCC[C@H](O)C[N@H+]1CCc2cc(Br)c(Br)cc2C1 ZINC001460509604 1068982489 /nfs/dbraw/zinc/98/24/89/1068982489.db2.gz NZKILRFBCPJBLJ-ZDUSSCGKSA-N 1 2 389.131 3.897 20 30 GHEDLO CC(=O)c1ccc(NC(=O)[C@H](C)[NH+]2CCC(Nc3ccccc3C#N)CC2)cc1 ZINC001460546456 1068992105 /nfs/dbraw/zinc/99/21/05/1068992105.db2.gz PHELTFLVZRNLOX-INIZCTEOSA-N 1 2 390.487 3.664 20 30 GHEDLO CCCCc1nnc(NC(=O)C[NH+]2CCC(c3ccc(C#N)cc3)CC2)s1 ZINC001460863172 1069232916 /nfs/dbraw/zinc/23/29/16/1069232916.db2.gz VOEWNJRLNAUOJP-UHFFFAOYSA-N 1 2 383.521 3.570 20 30 GHEDLO C#C[C@H](NC(=O)N1CCC(Nc2cccc[nH+]2)CC1)c1ccc(Cl)cc1F ZINC001478901687 1079021369 /nfs/dbraw/zinc/02/13/69/1079021369.db2.gz UZBBYTRFSZCHAQ-SFHVURJKSA-N 1 2 386.858 3.835 20 30 GHEDLO CC[C@]1(C(=O)OC(C)(C)C)CCC[N@@H+]([C@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC001473847244 1074172850 /nfs/dbraw/zinc/17/28/50/1074172850.db2.gz FSFIWKBPPMXYKG-AVRDEDQJSA-N 1 2 386.492 3.606 20 30 GHEDLO CC[C@]1(C(=O)OC(C)(C)C)CCC[N@H+]([C@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC001473847244 1074172853 /nfs/dbraw/zinc/17/28/53/1074172853.db2.gz FSFIWKBPPMXYKG-AVRDEDQJSA-N 1 2 386.492 3.606 20 30 GHEDLO C#CCOc1cccc(Cl)c1CNC[C@@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC001474240661 1074305759 /nfs/dbraw/zinc/30/57/59/1074305759.db2.gz MAKATJOFAHKSCK-HXUWFJFHSA-N 1 2 398.934 3.651 20 30 GHEDLO C#CCOc1cccc(Cl)c1CNC[C@@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC001474240661 1074305767 /nfs/dbraw/zinc/30/57/67/1074305767.db2.gz MAKATJOFAHKSCK-HXUWFJFHSA-N 1 2 398.934 3.651 20 30 GHEDLO CC[C@@H](C)c1nnc(N(C)C[C@H](C)C#N)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001495085507 1079380983 /nfs/dbraw/zinc/38/09/83/1079380983.db2.gz BFMZTZDEBXBZDD-IAGOWNOFSA-N 1 2 377.496 3.621 20 30 GHEDLO Fc1c(C[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cccc1-c1nn[nH]n1 ZINC000826370287 608388956 /nfs/dbraw/zinc/38/89/56/608388956.db2.gz LWCPJQJCUDZYAE-AOOOYVTPSA-N 1 2 397.298 3.569 20 30 GHEDLO Fc1c(C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cccc1-c1nn[nH]n1 ZINC000826370287 608388958 /nfs/dbraw/zinc/38/89/58/608388958.db2.gz LWCPJQJCUDZYAE-AOOOYVTPSA-N 1 2 397.298 3.569 20 30 GHEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000580609419 837386642 /nfs/dbraw/zinc/38/66/42/837386642.db2.gz DHFHRCYBMYNDDC-ZDUSSCGKSA-N 1 2 381.863 3.792 20 30 GHEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000580609419 837386652 /nfs/dbraw/zinc/38/66/52/837386652.db2.gz DHFHRCYBMYNDDC-ZDUSSCGKSA-N 1 2 381.863 3.792 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)c(F)c1 ZINC000375753085 834618261 /nfs/dbraw/zinc/61/82/61/834618261.db2.gz IBFXODZUDPYFEG-UHFFFAOYSA-N 1 2 396.378 3.790 20 30 GHEDLO O=C(NC1(c2noc([C@@H]3CCOC3)n2)CCCCCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000329425633 835018400 /nfs/dbraw/zinc/01/84/00/835018400.db2.gz GVERHRWYLQAXNG-JKSUJKDBSA-N 1 2 399.495 3.539 20 30 GHEDLO C[NH+](C)Cc1cc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)ccc1Cl ZINC000500786737 844014123 /nfs/dbraw/zinc/01/41/23/844014123.db2.gz LDQBFISWFPBKRQ-UHFFFAOYSA-N 1 2 384.288 3.727 20 30 GHEDLO N#CCCn1cc(CNc2ccc(-n3cc[nH+]c3)c(F)c2)c(-c2ccncc2)n1 ZINC000433325785 844026682 /nfs/dbraw/zinc/02/66/82/844026682.db2.gz IDVFDBZZJUUIKK-UHFFFAOYSA-N 1 2 387.422 3.796 20 30 GHEDLO CC1CC[NH+](Cc2csc(NC(=O)c3cc(C#N)cc(N(C)C)c3)n2)CC1 ZINC000432876779 844088887 /nfs/dbraw/zinc/08/88/87/844088887.db2.gz BXSAIXVYLAYLBB-UHFFFAOYSA-N 1 2 383.521 3.565 20 30 GHEDLO N#CCCNC(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000426427109 844101773 /nfs/dbraw/zinc/10/17/73/844101773.db2.gz LRRATHQKVGRURK-FQEVSTJZSA-N 1 2 382.895 3.670 20 30 GHEDLO COc1ccc(CC(N)=[NH+]OCc2csc(-c3cccs3)n2)cc1OC ZINC000065948640 836323724 /nfs/dbraw/zinc/32/37/24/836323724.db2.gz BYANVMCPSYXZNW-UHFFFAOYSA-N 1 2 389.502 3.920 20 30 GHEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC001167116911 836337621 /nfs/dbraw/zinc/33/76/21/836337621.db2.gz YIHCFIGSLIZNDG-SFHVURJKSA-N 1 2 389.293 3.672 20 30 GHEDLO C=CC[N@H+](Cc1ccc(OC)cc1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC001167116911 836337637 /nfs/dbraw/zinc/33/76/37/836337637.db2.gz YIHCFIGSLIZNDG-SFHVURJKSA-N 1 2 389.293 3.672 20 30 GHEDLO Cc1cccc2nc(C3CC[NH+](CC(=O)Nc4sccc4C#N)CC3)oc21 ZINC000189803091 838407792 /nfs/dbraw/zinc/40/77/92/838407792.db2.gz HOWCGICSFPNQAS-UHFFFAOYSA-N 1 2 380.473 3.888 20 30 GHEDLO N#Cc1ccc(Br)c(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000376596342 838421863 /nfs/dbraw/zinc/42/18/63/838421863.db2.gz UVPYZEWVVWBRFF-UHFFFAOYSA-N 1 2 381.277 3.773 20 30 GHEDLO C=C(C)CN(CC)C(=O)CSc1nnc([C@@H](CC)[NH+](C)C)n1CCCC ZINC000044172473 838465095 /nfs/dbraw/zinc/46/50/95/838465095.db2.gz ZWVOTCDDAALGMA-MRXNPFEDSA-N 1 2 381.590 3.608 20 30 GHEDLO C=CC[N@@H+](CC(=O)Nc1ccc(C(=O)N(CC)CC)cc1)Cc1ccccc1 ZINC000027776136 838633147 /nfs/dbraw/zinc/63/31/47/838633147.db2.gz IEUKSAJIEGTHIS-UHFFFAOYSA-N 1 2 379.504 3.795 20 30 GHEDLO C=CC[N@H+](CC(=O)Nc1ccc(C(=O)N(CC)CC)cc1)Cc1ccccc1 ZINC000027776136 838633152 /nfs/dbraw/zinc/63/31/52/838633152.db2.gz IEUKSAJIEGTHIS-UHFFFAOYSA-N 1 2 379.504 3.795 20 30 GHEDLO Cc1cccc(-c2nnc([C@H](C)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)o2)c1 ZINC000049971260 838950167 /nfs/dbraw/zinc/95/01/67/838950167.db2.gz RIFSDFVZRSWSDL-SFHVURJKSA-N 1 2 387.487 3.796 20 30 GHEDLO C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000053175765 839051307 /nfs/dbraw/zinc/05/13/07/839051307.db2.gz ZOSWOFBRZXGOSR-DYESRHJHSA-N 1 2 377.488 3.552 20 30 GHEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(OC(F)(F)F)ccc2F)C1 ZINC001143550663 844482864 /nfs/dbraw/zinc/48/28/64/844482864.db2.gz LSDCPYLCFGIGOF-CYBMUJFWSA-N 1 2 376.350 3.601 20 30 GHEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc(OC(F)(F)F)ccc2F)C1 ZINC001143550663 844482870 /nfs/dbraw/zinc/48/28/70/844482870.db2.gz LSDCPYLCFGIGOF-CYBMUJFWSA-N 1 2 376.350 3.601 20 30 GHEDLO CC(C)[N@@H+]1CC[C@H](NC(=O)c2cnccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000580614629 839903040 /nfs/dbraw/zinc/90/30/40/839903040.db2.gz RORGSSSJVSOMPE-OALUTQOASA-N 1 2 386.858 3.700 20 30 GHEDLO CC(C)[N@H+]1CC[C@H](NC(=O)c2cnccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000580614629 839903047 /nfs/dbraw/zinc/90/30/47/839903047.db2.gz RORGSSSJVSOMPE-OALUTQOASA-N 1 2 386.858 3.700 20 30 GHEDLO Cc1nsc(N2CC[NH+](Cc3c[nH]nc3-c3cccc(Cl)c3)CC2)c1C#N ZINC000580745934 840111123 /nfs/dbraw/zinc/11/11/23/840111123.db2.gz CKKXFKOTOTXPQX-UHFFFAOYSA-N 1 2 398.923 3.689 20 30 GHEDLO CC(C)[C@H]1C(=O)NCCN1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000330228288 840294159 /nfs/dbraw/zinc/29/41/59/840294159.db2.gz CJUMGMYVRVFSKY-SFHVURJKSA-N 1 2 381.480 3.729 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+]2CC[C@H](c3ccccc3)[C@H]2C)c1=S ZINC000162746308 840344296 /nfs/dbraw/zinc/34/42/96/840344296.db2.gz PZMPNGOSHHTOKV-AEFFLSMTSA-N 1 2 392.532 3.893 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+]2CC[C@H](c3ccccc3)[C@H]2C)c1=S ZINC000162746308 840344304 /nfs/dbraw/zinc/34/43/04/840344304.db2.gz PZMPNGOSHHTOKV-AEFFLSMTSA-N 1 2 392.532 3.893 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCCOc3ccc(Cl)cc3)CC2)cc1 ZINC000511752768 840641318 /nfs/dbraw/zinc/64/13/18/840641318.db2.gz JTMSEYDEDORNSQ-UHFFFAOYSA-N 1 2 397.906 3.715 20 30 GHEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@H](c3ccccc3)C2)nc1-c1cnccn1 ZINC000157010517 840991925 /nfs/dbraw/zinc/99/19/25/840991925.db2.gz SEWMYIQHHPPMDE-KRWDZBQOSA-N 1 2 378.505 3.504 20 30 GHEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@H](c3ccccc3)C2)nc1-c1cnccn1 ZINC000157010517 840991938 /nfs/dbraw/zinc/99/19/38/840991938.db2.gz SEWMYIQHHPPMDE-KRWDZBQOSA-N 1 2 378.505 3.504 20 30 GHEDLO C[C@@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)C[C@H](O)COc1ccccc1C#N ZINC000599434050 861204872 /nfs/dbraw/zinc/20/48/72/861204872.db2.gz PTGWGIRQIXUCAN-BBRMVZONSA-N 1 2 384.867 3.521 20 30 GHEDLO C[C@@H](c1nc2ccc(Cl)cc2[nH]1)[N@@H+](C)C[C@H](O)COc1ccccc1C#N ZINC000599434050 861204888 /nfs/dbraw/zinc/20/48/88/861204888.db2.gz PTGWGIRQIXUCAN-BBRMVZONSA-N 1 2 384.867 3.521 20 30 GHEDLO COc1ccc(Br)c([C@@H](CO)[N@H+](C)Cc2ccc(C)c(C#N)c2)c1 ZINC000599433995 861204911 /nfs/dbraw/zinc/20/49/11/861204911.db2.gz OQLYQRAFUUPCQU-LJQANCHMSA-N 1 2 389.293 3.803 20 30 GHEDLO COc1ccc(Br)c([C@@H](CO)[N@@H+](C)Cc2ccc(C)c(C#N)c2)c1 ZINC000599433995 861204928 /nfs/dbraw/zinc/20/49/28/861204928.db2.gz OQLYQRAFUUPCQU-LJQANCHMSA-N 1 2 389.293 3.803 20 30 GHEDLO O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329279962 861235339 /nfs/dbraw/zinc/23/53/39/861235339.db2.gz LVNWJLMEVVHEEP-UHFFFAOYSA-N 1 2 384.524 3.679 20 30 GHEDLO N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(c4[nH]cc[nH+]4)CC3)cn2)c1 ZINC000610557851 842608061 /nfs/dbraw/zinc/60/80/61/842608061.db2.gz BRBUDSMRGNLYNW-UHFFFAOYSA-N 1 2 388.431 3.880 20 30 GHEDLO Cc1nn(C)c(N2CC[NH+](Cc3sc4ccccc4c3Cl)CC2)c1C#N ZINC000471813774 842667429 /nfs/dbraw/zinc/66/74/29/842667429.db2.gz XUYFPXCONURRBZ-UHFFFAOYSA-N 1 2 385.924 3.791 20 30 GHEDLO Cc1nn(C)c(N2CC[NH+](Cc3ccc(-c4ccccc4)cc3F)CC2)c1C#N ZINC000471827220 842740421 /nfs/dbraw/zinc/74/04/21/842740421.db2.gz PHXIFPYFNQUOGU-UHFFFAOYSA-N 1 2 389.478 3.729 20 30 GHEDLO N#Cc1ccc(N[C@@H]2CCC[N@H+](Cc3csc(-c4ccccn4)n3)C2)nc1 ZINC000896660443 861360142 /nfs/dbraw/zinc/36/01/42/861360142.db2.gz OHIKMFKIFNGGHT-MRXNPFEDSA-N 1 2 376.489 3.548 20 30 GHEDLO N#Cc1ccc(N[C@@H]2CCC[N@@H+](Cc3csc(-c4ccccn4)n3)C2)nc1 ZINC000896660443 861360163 /nfs/dbraw/zinc/36/01/63/861360163.db2.gz OHIKMFKIFNGGHT-MRXNPFEDSA-N 1 2 376.489 3.548 20 30 GHEDLO COc1cccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c1OC(C)C ZINC000512203828 843086606 /nfs/dbraw/zinc/08/66/06/843086606.db2.gz QNJUSVJVROHOTB-UHFFFAOYSA-N 1 2 383.467 3.815 20 30 GHEDLO C=CCN1CC[C@H]([N@H+]2C[C@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)C1=O ZINC000433304560 843991492 /nfs/dbraw/zinc/99/14/92/843991492.db2.gz NDLCUVIPKPNRGU-DLBZAZTESA-N 1 2 382.426 3.644 20 30 GHEDLO C=CCN1CC[C@H]([N@@H+]2C[C@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)C1=O ZINC000433304560 843991495 /nfs/dbraw/zinc/99/14/95/843991495.db2.gz NDLCUVIPKPNRGU-DLBZAZTESA-N 1 2 382.426 3.644 20 30 GHEDLO Cc1c(C#N)c2[nH]c3ccccc3n2c(=O)c1C=[NH+]NCCCc1ccccc1 ZINC000729145954 844748529 /nfs/dbraw/zinc/74/85/29/844748529.db2.gz IEMXRVCKWMPEJM-UHFFFAOYSA-N 1 2 383.455 3.517 20 30 GHEDLO N#Cc1cc(CSc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2)ccn1 ZINC000610955009 844907280 /nfs/dbraw/zinc/90/72/80/844907280.db2.gz NXRXKGJFURRUFZ-UHFFFAOYSA-N 1 2 390.516 3.812 20 30 GHEDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677441 861516223 /nfs/dbraw/zinc/51/62/23/861516223.db2.gz JIXCCPYHMQZYND-CQSZACIVSA-N 1 2 389.415 3.830 20 30 GHEDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677441 861516240 /nfs/dbraw/zinc/51/62/40/861516240.db2.gz JIXCCPYHMQZYND-CQSZACIVSA-N 1 2 389.415 3.830 20 30 GHEDLO N#Cc1c(C[N@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)cn2ccccc12 ZINC000513636877 846177936 /nfs/dbraw/zinc/17/79/36/846177936.db2.gz CJBMFEFMPPPBFV-UHFFFAOYSA-N 1 2 392.890 3.812 20 30 GHEDLO N#Cc1c(C[N@@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)cn2ccccc12 ZINC000513636877 846177938 /nfs/dbraw/zinc/17/79/38/846177938.db2.gz CJBMFEFMPPPBFV-UHFFFAOYSA-N 1 2 392.890 3.812 20 30 GHEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)c1cc(C#N)oc1C ZINC000280510407 846429819 /nfs/dbraw/zinc/42/98/19/846429819.db2.gz AGMFZFJBVBAKOP-UHFFFAOYSA-N 1 2 392.459 3.788 20 30 GHEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](OC(F)F)C2)ccc1Cl ZINC000611579366 846471790 /nfs/dbraw/zinc/47/17/90/846471790.db2.gz VQZKIHOVEROKKI-OAHLLOKOSA-N 1 2 385.842 3.599 20 30 GHEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](OC(F)F)C2)ccc1Cl ZINC000611579366 846471798 /nfs/dbraw/zinc/47/17/98/846471798.db2.gz VQZKIHOVEROKKI-OAHLLOKOSA-N 1 2 385.842 3.599 20 30 GHEDLO COC(=O)c1cccc(C[N@H+](C)Cc2ccc(OCC(F)(F)F)cc2)c1C#N ZINC000551995046 846631876 /nfs/dbraw/zinc/63/18/76/846631876.db2.gz VBBCAXBMCYRVAB-UHFFFAOYSA-N 1 2 392.377 3.918 20 30 GHEDLO COC(=O)c1cccc(C[N@@H+](C)Cc2ccc(OCC(F)(F)F)cc2)c1C#N ZINC000551995046 846631882 /nfs/dbraw/zinc/63/18/82/846631882.db2.gz VBBCAXBMCYRVAB-UHFFFAOYSA-N 1 2 392.377 3.918 20 30 GHEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ccnc(-c3ccccc3)n2)CC1 ZINC000329043322 846788968 /nfs/dbraw/zinc/78/89/68/846788968.db2.gz FBABULVMELUKDB-QGZVFWFLSA-N 1 2 379.508 3.553 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000137209333 847016996 /nfs/dbraw/zinc/01/69/96/847016996.db2.gz RAFLPROELCSHSG-INIZCTEOSA-N 1 2 384.501 3.675 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000137209333 847017003 /nfs/dbraw/zinc/01/70/03/847017003.db2.gz RAFLPROELCSHSG-INIZCTEOSA-N 1 2 384.501 3.675 20 30 GHEDLO CCc1oc2ccccc2c1C[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000513789908 847755978 /nfs/dbraw/zinc/75/59/78/847755978.db2.gz PDKIPWQQNOKRQV-UHFFFAOYSA-N 1 2 382.485 3.773 20 30 GHEDLO CCc1oc2ccccc2c1C[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000513789908 847755985 /nfs/dbraw/zinc/75/59/85/847755985.db2.gz PDKIPWQQNOKRQV-UHFFFAOYSA-N 1 2 382.485 3.773 20 30 GHEDLO COc1ccc(C[C@H]2CC[N@@H+]2[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC001167641479 848760940 /nfs/dbraw/zinc/76/09/40/848760940.db2.gz IBWCMBOXXAQGNN-GOEBONIOSA-N 1 2 395.528 3.761 20 30 GHEDLO COc1ccc(C[C@H]2CC[N@H+]2[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC001167641479 848760946 /nfs/dbraw/zinc/76/09/46/848760946.db2.gz IBWCMBOXXAQGNN-GOEBONIOSA-N 1 2 395.528 3.761 20 30 GHEDLO CC(=O)c1cc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ccc1F ZINC000486840391 850166668 /nfs/dbraw/zinc/16/66/68/850166668.db2.gz CVODAVRXZPSLKL-UHFFFAOYSA-N 1 2 394.450 3.640 20 30 GHEDLO CC(=O)c1cc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)ccc1F ZINC000486840391 850166681 /nfs/dbraw/zinc/16/66/81/850166681.db2.gz CVODAVRXZPSLKL-UHFFFAOYSA-N 1 2 394.450 3.640 20 30 GHEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000514746313 850260526 /nfs/dbraw/zinc/26/05/26/850260526.db2.gz DVGZKJPOAAFTTH-QGZVFWFLSA-N 1 2 396.922 3.747 20 30 GHEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000514746313 850260537 /nfs/dbraw/zinc/26/05/37/850260537.db2.gz DVGZKJPOAAFTTH-QGZVFWFLSA-N 1 2 396.922 3.747 20 30 GHEDLO C[C@H](c1cccnc1)[NH+]1CCN(c2nc3c(cc2C#N)CCCC3(C)C)CC1 ZINC000514770056 850269071 /nfs/dbraw/zinc/26/90/71/850269071.db2.gz ZLSFIEYOBYEVSM-QGZVFWFLSA-N 1 2 375.520 3.845 20 30 GHEDLO C=CCOc1ccccc1C[NH+]1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000506677209 850398062 /nfs/dbraw/zinc/39/80/62/850398062.db2.gz YLJJUUDBHWVCQH-UHFFFAOYSA-N 1 2 396.516 3.681 20 30 GHEDLO C=C(C)[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)s1)c1ccc(F)c(F)c1 ZINC000425430110 851041043 /nfs/dbraw/zinc/04/10/43/851041043.db2.gz DAZLPSOJXPUVEP-KRWDZBQOSA-N 1 2 386.489 3.684 20 30 GHEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000440322888 851064766 /nfs/dbraw/zinc/06/47/66/851064766.db2.gz FTNJLHNIXJTDPC-HNAYVOBHSA-N 1 2 396.318 3.645 20 30 GHEDLO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000440322888 851064777 /nfs/dbraw/zinc/06/47/77/851064777.db2.gz FTNJLHNIXJTDPC-HNAYVOBHSA-N 1 2 396.318 3.645 20 30 GHEDLO COc1cc(C[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)ccc1C#N ZINC000515479655 851079936 /nfs/dbraw/zinc/07/99/36/851079936.db2.gz ZMDPAZCKPDXYQY-UHFFFAOYSA-N 1 2 388.258 3.744 20 30 GHEDLO N#Cc1cccc(Oc2ccc(NC(=O)NCC[NH+]3Cc4ccccc4C3)cn2)c1 ZINC000604485506 862228113 /nfs/dbraw/zinc/22/81/13/862228113.db2.gz RMJQOQHZNDPYGV-UHFFFAOYSA-N 1 2 399.454 3.883 20 30 GHEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000664563842 852006994 /nfs/dbraw/zinc/00/69/94/852006994.db2.gz ZYSGRHRQEWSZMH-ZGXWSNOMSA-N 1 2 389.927 3.604 20 30 GHEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000664563842 852007004 /nfs/dbraw/zinc/00/70/04/852007004.db2.gz ZYSGRHRQEWSZMH-ZGXWSNOMSA-N 1 2 389.927 3.604 20 30 GHEDLO COc1ccc2c(c1)C1(CC1)C[N@H+]([C@@H](C)C(=O)Nc1ccc3c(c1)OCO3)C2 ZINC000329804472 862332404 /nfs/dbraw/zinc/33/24/04/862332404.db2.gz ACSJETORDNHBRM-AWEZNQCLSA-N 1 2 380.444 3.948 20 30 GHEDLO COc1ccc2c(c1)C1(CC1)C[N@@H+]([C@@H](C)C(=O)Nc1ccc3c(c1)OCO3)C2 ZINC000329804472 862332422 /nfs/dbraw/zinc/33/24/22/862332422.db2.gz ACSJETORDNHBRM-AWEZNQCLSA-N 1 2 380.444 3.948 20 30 GHEDLO Cc1cc(O)c(C(C)C)cc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000436825256 852393846 /nfs/dbraw/zinc/39/38/46/852393846.db2.gz CGIIQGOOGJZYLY-UHFFFAOYSA-N 1 2 377.488 3.654 20 30 GHEDLO C[C@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CCN1CC(F)(F)F ZINC000180833465 862366730 /nfs/dbraw/zinc/36/67/30/862366730.db2.gz PJPURCZEDHJANT-INIZCTEOSA-N 1 2 391.441 3.532 20 30 GHEDLO C[C@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CCN1CC(F)(F)F ZINC000180833465 862366751 /nfs/dbraw/zinc/36/67/51/862366751.db2.gz PJPURCZEDHJANT-INIZCTEOSA-N 1 2 391.441 3.532 20 30 GHEDLO C[C@@H]1CN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C[C@H](C2CC2)O1 ZINC000329843859 862368065 /nfs/dbraw/zinc/36/80/65/862368065.db2.gz XPDFGHBRPAMAHY-FOIQADDNSA-N 1 2 380.492 3.931 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCCc3ccc(Cl)cc3)CC2)cc1 ZINC000044315014 852669743 /nfs/dbraw/zinc/66/97/43/852669743.db2.gz LXCHIIFCDXAVLV-UHFFFAOYSA-N 1 2 381.907 3.879 20 30 GHEDLO N#Cc1ccccc1-c1ccc(CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)cc1 ZINC000490714985 853195270 /nfs/dbraw/zinc/19/52/70/853195270.db2.gz BYGQAOHQULERDZ-UHFFFAOYSA-N 1 2 379.423 3.736 20 30 GHEDLO C=CC[C@H]1CCN(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)C1 ZINC000623882103 862482471 /nfs/dbraw/zinc/48/24/71/862482471.db2.gz KISYDMYYCMBEDU-AWEZNQCLSA-N 1 2 391.313 3.555 20 30 GHEDLO C[C@@H](CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)Cn1cc[nH+]c1 ZINC000473887848 853618551 /nfs/dbraw/zinc/61/85/51/853618551.db2.gz QDFZMAPXDMUWOX-HNNXBMFYSA-N 1 2 378.407 3.752 20 30 GHEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000055102499 853645470 /nfs/dbraw/zinc/64/54/70/853645470.db2.gz OMRHGPFHHCTYMH-IBGZPJMESA-N 1 2 389.499 3.917 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)NCC2CCC(C#N)CC2)[C@H](C)C1 ZINC000440980926 853792146 /nfs/dbraw/zinc/79/21/46/853792146.db2.gz CLRFIAGPFIXHAK-XEVCZEQESA-N 1 2 398.551 3.631 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)NCC2CCC(C#N)CC2)[C@H](C)C1 ZINC000440980926 853792159 /nfs/dbraw/zinc/79/21/59/853792159.db2.gz CLRFIAGPFIXHAK-XEVCZEQESA-N 1 2 398.551 3.631 20 30 GHEDLO C=CCN(CC=C)C(=O)C[N@H+](Cc1cc(Br)ccc1F)C(C)C ZINC000520173296 853916725 /nfs/dbraw/zinc/91/67/25/853916725.db2.gz BYUADNKMISSVNH-UHFFFAOYSA-N 1 2 383.305 3.999 20 30 GHEDLO C=CCN(CC=C)C(=O)C[N@@H+](Cc1cc(Br)ccc1F)C(C)C ZINC000520173296 853916733 /nfs/dbraw/zinc/91/67/33/853916733.db2.gz BYUADNKMISSVNH-UHFFFAOYSA-N 1 2 383.305 3.999 20 30 GHEDLO C=CCNC(=O)[C@@H](C)N1CC[NH+]([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000588672698 854319481 /nfs/dbraw/zinc/31/94/81/854319481.db2.gz PCAHCROXWJAXOC-GCJKJVERSA-N 1 2 397.950 3.738 20 30 GHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC(C)(C)OC(C)(C)C3)n2)C1 ZINC000328603604 854502465 /nfs/dbraw/zinc/50/24/65/854502465.db2.gz HXDYOMAZASRXJO-AWEZNQCLSA-N 1 2 380.558 3.810 20 30 GHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC(C)(C)OC(C)(C)C3)n2)C1 ZINC000328603604 854502471 /nfs/dbraw/zinc/50/24/71/854502471.db2.gz HXDYOMAZASRXJO-AWEZNQCLSA-N 1 2 380.558 3.810 20 30 GHEDLO O=C(NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)N[C@@H]1CCCC12CCOCC2 ZINC000328730632 854539493 /nfs/dbraw/zinc/53/94/93/854539493.db2.gz WQPCZCZCSFBTKJ-XYJFISCASA-N 1 2 395.544 3.513 20 30 GHEDLO O=C(NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)N[C@@H]1CCCC12CCOCC2 ZINC000328730632 854539505 /nfs/dbraw/zinc/53/95/05/854539505.db2.gz WQPCZCZCSFBTKJ-XYJFISCASA-N 1 2 395.544 3.513 20 30 GHEDLO CC(C)c1nc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)NC(=O)NC3CCCCC3)C2)no1 ZINC000328858896 854580938 /nfs/dbraw/zinc/58/09/38/854580938.db2.gz YIYWJGJOPLKHMQ-HUUCEWRRSA-N 1 2 391.516 3.964 20 30 GHEDLO CC(C)c1nc([C@@H]2CCC[N@H+]([C@H](C)C(=O)NC(=O)NC3CCCCC3)C2)no1 ZINC000328858896 854580944 /nfs/dbraw/zinc/58/09/44/854580944.db2.gz YIYWJGJOPLKHMQ-HUUCEWRRSA-N 1 2 391.516 3.964 20 30 GHEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2cc(O)cc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000589197242 854743694 /nfs/dbraw/zinc/74/36/94/854743694.db2.gz OVTOUEGBACLIAV-MOPGFXCFSA-N 1 2 387.842 3.622 20 30 GHEDLO CC[N@H+]1CC[C@@H](NC(=O)c2cc(O)cc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000589197242 854743700 /nfs/dbraw/zinc/74/37/00/854743700.db2.gz OVTOUEGBACLIAV-MOPGFXCFSA-N 1 2 387.842 3.622 20 30 GHEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)ccc1Cl ZINC000589272629 854779030 /nfs/dbraw/zinc/77/90/30/854779030.db2.gz FHVTZPJEPVGLAM-ICSRJNTNSA-N 1 2 389.927 3.785 20 30 GHEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)ccc1Cl ZINC000589272629 854779034 /nfs/dbraw/zinc/77/90/34/854779034.db2.gz FHVTZPJEPVGLAM-ICSRJNTNSA-N 1 2 389.927 3.785 20 30 GHEDLO CC(C)N(C(=O)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000054454751 855154677 /nfs/dbraw/zinc/15/46/77/855154677.db2.gz FPYWQNFOXVCFHW-UHFFFAOYSA-N 1 2 390.531 3.508 20 30 GHEDLO CC(C)N(C(=O)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000054454751 855154680 /nfs/dbraw/zinc/15/46/80/855154680.db2.gz FPYWQNFOXVCFHW-UHFFFAOYSA-N 1 2 390.531 3.508 20 30 GHEDLO CC(C)(C)Oc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)cc1C#N ZINC000590869748 855637498 /nfs/dbraw/zinc/63/74/98/855637498.db2.gz FKCQVCKFEDSXOF-IBGZPJMESA-N 1 2 378.476 3.734 20 30 GHEDLO CC(C)(C)Oc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)cc1C#N ZINC000590869748 855637500 /nfs/dbraw/zinc/63/75/00/855637500.db2.gz FKCQVCKFEDSXOF-IBGZPJMESA-N 1 2 378.476 3.734 20 30 GHEDLO Cc1cc(N2CCN(c3nc(C(F)(F)F)ccc3C#N)CC2)nc(C(C)C)[nH+]1 ZINC000301272882 855652790 /nfs/dbraw/zinc/65/27/90/855652790.db2.gz IAIVVLXIFSYNHR-UHFFFAOYSA-N 1 2 390.413 3.521 20 30 GHEDLO CC[C@H](Nc1snc(Cl)c1C#N)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000301693159 855743071 /nfs/dbraw/zinc/74/30/71/855743071.db2.gz ZJMJIPXUJIZAAQ-JKSUJKDBSA-N 1 2 376.913 3.760 20 30 GHEDLO CC[C@H](Nc1snc(Cl)c1C#N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000301693159 855743082 /nfs/dbraw/zinc/74/30/82/855743082.db2.gz ZJMJIPXUJIZAAQ-JKSUJKDBSA-N 1 2 376.913 3.760 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)Nc2ccc(F)cc2C#N)[C@H](C)C1 ZINC000441666601 855911504 /nfs/dbraw/zinc/91/15/04/855911504.db2.gz JVCCTFRQZHRYKK-MRXNPFEDSA-N 1 2 396.466 3.834 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)Nc2ccc(F)cc2C#N)[C@H](C)C1 ZINC000441666601 855911510 /nfs/dbraw/zinc/91/15/10/855911510.db2.gz JVCCTFRQZHRYKK-MRXNPFEDSA-N 1 2 396.466 3.834 20 30 GHEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000171148619 855981090 /nfs/dbraw/zinc/98/10/90/855981090.db2.gz SZZXPGNYHUVTOQ-UHFFFAOYSA-N 1 2 380.496 3.822 20 30 GHEDLO N#Cc1ccc(CSCC(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1 ZINC000109242485 856265733 /nfs/dbraw/zinc/26/57/33/856265733.db2.gz MEIDXYSVCBFCOT-UHFFFAOYSA-N 1 2 392.484 3.706 20 30 GHEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)c1ccc(C#N)cc1 ZINC000060442336 856298127 /nfs/dbraw/zinc/29/81/27/856298127.db2.gz QITSPKSJDLNWKX-UHFFFAOYSA-N 1 2 388.471 3.886 20 30 GHEDLO CCOc1ccccc1C[N@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000172169647 856358414 /nfs/dbraw/zinc/35/84/14/856358414.db2.gz PNWQHYPNHPUIMN-AWEZNQCLSA-N 1 2 383.517 3.966 20 30 GHEDLO CCOc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000172169647 856358420 /nfs/dbraw/zinc/35/84/20/856358420.db2.gz PNWQHYPNHPUIMN-AWEZNQCLSA-N 1 2 383.517 3.966 20 30 GHEDLO C[C@@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000172752833 856589155 /nfs/dbraw/zinc/58/91/55/856589155.db2.gz IGUBFWXXBJUBCS-SFHVURJKSA-N 1 2 387.487 3.805 20 30 GHEDLO C[C@@H](c1nc(Cc2ccccc2)no1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000172752833 856589201 /nfs/dbraw/zinc/58/92/01/856589201.db2.gz IGUBFWXXBJUBCS-SFHVURJKSA-N 1 2 387.487 3.805 20 30 GHEDLO N#Cc1ccc(CCC(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)cc1 ZINC000110981678 856727380 /nfs/dbraw/zinc/72/73/80/856727380.db2.gz IFMYRPLRTJBJIX-GOSISDBHSA-N 1 2 383.442 3.550 20 30 GHEDLO N#Cc1ccc(CCC(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)cc1 ZINC000110981678 856727387 /nfs/dbraw/zinc/72/73/87/856727387.db2.gz IFMYRPLRTJBJIX-GOSISDBHSA-N 1 2 383.442 3.550 20 30 GHEDLO Cc1cn2cc(NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)ccc2[nH+]1 ZINC000265687553 856962384 /nfs/dbraw/zinc/96/23/84/856962384.db2.gz DLHCUDIPOGXAMX-UHFFFAOYSA-N 1 2 375.432 3.590 20 30 GHEDLO N#Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)o1 ZINC000428118543 857115855 /nfs/dbraw/zinc/11/58/55/857115855.db2.gz ZWXSLERSFLQWQE-UHFFFAOYSA-N 1 2 395.459 3.977 20 30 GHEDLO COc1cc(C[N@@H+]2CCO[C@@H](C3CC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000485817715 857126081 /nfs/dbraw/zinc/12/60/81/857126081.db2.gz UXZFZLVXRKVUMH-HSZRJFAPSA-N 1 2 378.472 3.757 20 30 GHEDLO COc1cc(C[N@H+]2CCO[C@@H](C3CC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000485817715 857126088 /nfs/dbraw/zinc/12/60/88/857126088.db2.gz UXZFZLVXRKVUMH-HSZRJFAPSA-N 1 2 378.472 3.757 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)c1 ZINC000593054210 857203679 /nfs/dbraw/zinc/20/36/79/857203679.db2.gz HFWPUIBHRRJLQV-UHFFFAOYSA-N 1 2 397.416 3.917 20 30 GHEDLO CC(C)O[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000593054204 857203762 /nfs/dbraw/zinc/20/37/62/857203762.db2.gz CDVIFETZKCXVFS-IAGOWNOFSA-N 1 2 375.538 3.766 20 30 GHEDLO CC(C)O[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000593054204 857203771 /nfs/dbraw/zinc/20/37/71/857203771.db2.gz CDVIFETZKCXVFS-IAGOWNOFSA-N 1 2 375.538 3.766 20 30 GHEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@@H](c4ccn[nH]4)C3)sc2C1 ZINC000246079835 857226943 /nfs/dbraw/zinc/22/69/43/857226943.db2.gz DFQOAVURCQSYNL-LSDHHAIUSA-N 1 2 397.548 3.676 20 30 GHEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCC[C@@H](c4ccn[nH]4)C3)sc2C1 ZINC000246079835 857226951 /nfs/dbraw/zinc/22/69/51/857226951.db2.gz DFQOAVURCQSYNL-LSDHHAIUSA-N 1 2 397.548 3.676 20 30 GHEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000161102315 862893669 /nfs/dbraw/zinc/89/36/69/862893669.db2.gz FYIXWPGEZUOWQR-OAQYLSRUSA-N 1 2 391.450 3.604 20 30 GHEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000161102315 862893682 /nfs/dbraw/zinc/89/36/82/862893682.db2.gz FYIXWPGEZUOWQR-OAQYLSRUSA-N 1 2 391.450 3.604 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)NCC2(C#N)CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000593386643 857563626 /nfs/dbraw/zinc/56/36/26/857563626.db2.gz WSXZYDBLDVGJGA-IAGOWNOFSA-N 1 2 378.879 3.607 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)NCC2(C#N)CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000593386643 857563634 /nfs/dbraw/zinc/56/36/34/857563634.db2.gz WSXZYDBLDVGJGA-IAGOWNOFSA-N 1 2 378.879 3.607 20 30 GHEDLO N#Cc1cc(N2CCC(CCCn3cc[nH+]c3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000543047511 858095054 /nfs/dbraw/zinc/09/50/54/858095054.db2.gz ULDURUFTWBRYIL-UHFFFAOYSA-N 1 2 390.447 3.908 20 30 GHEDLO Cn1cc(C[N@@H+]2Cc3ccc(C#N)cc3C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000594612069 858241509 /nfs/dbraw/zinc/24/15/09/858241509.db2.gz KNSHJHJNGPSVSY-UHFFFAOYSA-N 1 2 386.455 3.636 20 30 GHEDLO Cn1cc(C[N@H+]2Cc3ccc(C#N)cc3C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000594612069 858241520 /nfs/dbraw/zinc/24/15/20/858241520.db2.gz KNSHJHJNGPSVSY-UHFFFAOYSA-N 1 2 386.455 3.636 20 30 GHEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCCc2ccc(C#N)cc2)c(C)c1 ZINC000595695960 858651082 /nfs/dbraw/zinc/65/10/82/858651082.db2.gz RQVDYJVLRWWYMW-JOCHJYFZSA-N 1 2 387.487 3.655 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](CO)c2cccc(Cl)c2Cl)c(C#N)c1C ZINC000595827953 858700409 /nfs/dbraw/zinc/70/04/09/858700409.db2.gz GEJOMUHHJLBIBG-BMIGLBTASA-N 1 2 396.274 3.725 20 30 GHEDLO N#CC[C@H]1CCCN(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000596133690 858788193 /nfs/dbraw/zinc/78/81/93/858788193.db2.gz YPSUAIKGQHHXGG-QAPCUYQASA-N 1 2 392.906 3.951 20 30 GHEDLO C[N@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000597085065 859275133 /nfs/dbraw/zinc/27/51/33/859275133.db2.gz BHBOTGKFVCVAAP-GOSISDBHSA-N 1 2 398.304 3.663 20 30 GHEDLO C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000597085065 859275142 /nfs/dbraw/zinc/27/51/42/859275142.db2.gz BHBOTGKFVCVAAP-GOSISDBHSA-N 1 2 398.304 3.663 20 30 GHEDLO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000611346801 859721711 /nfs/dbraw/zinc/72/17/11/859721711.db2.gz KMWYECBYYJPUES-MJGOQNOKSA-N 1 2 393.535 3.569 20 30 GHEDLO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000611346801 859721718 /nfs/dbraw/zinc/72/17/18/859721718.db2.gz KMWYECBYYJPUES-MJGOQNOKSA-N 1 2 393.535 3.569 20 30 GHEDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000611516557 859796137 /nfs/dbraw/zinc/79/61/37/859796137.db2.gz HWDNWVSSXJJOFB-CQSZACIVSA-N 1 2 381.436 3.524 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC([C@@H]3CCCCCN3C(C)=O)CC2)c1C ZINC000597984858 859985849 /nfs/dbraw/zinc/98/58/49/859985849.db2.gz ZXHVTLIAWSAAPX-QHCPKHFHSA-N 1 2 399.579 3.977 20 30 GHEDLO COc1ccc(CN(c2cc[nH+]cc2)S(=O)(=O)c2cc(C#N)ccc2C)cc1 ZINC000092254046 860015496 /nfs/dbraw/zinc/01/54/96/860015496.db2.gz AJUXOXYPPBSFEO-UHFFFAOYSA-N 1 2 393.468 3.666 20 30 GHEDLO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000727436692 860077517 /nfs/dbraw/zinc/07/75/17/860077517.db2.gz MRRVYXRZBHGSSP-PERKRYKHSA-N 1 2 398.466 3.686 20 30 GHEDLO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000727436692 860077531 /nfs/dbraw/zinc/07/75/31/860077531.db2.gz MRRVYXRZBHGSSP-PERKRYKHSA-N 1 2 398.466 3.686 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C3(c4ccc(F)cc4)CCCC3)CC2)cc1 ZINC000603448165 860728916 /nfs/dbraw/zinc/72/89/16/860728916.db2.gz OUEHKQWDWFWKIO-UHFFFAOYSA-N 1 2 391.490 3.854 20 30 GHEDLO CCN(CC)C(=O)COc1ccc(C(C)=NNc2cc[nH+]c3ccccc23)cc1 ZINC000730147783 860897188 /nfs/dbraw/zinc/89/71/88/860897188.db2.gz SNBDZDBUUKYXMI-UHFFFAOYSA-N 1 2 390.487 3.740 20 30 GHEDLO CC[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(OC)cc1 ZINC000603747836 861144850 /nfs/dbraw/zinc/14/48/50/861144850.db2.gz QSGNMLDUGHHROW-QFIPXVFZSA-N 1 2 392.503 3.545 20 30 GHEDLO CO[C@@H]1[C@H](C)[C@@H](NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1(C)C ZINC000329217443 861153848 /nfs/dbraw/zinc/15/38/48/861153848.db2.gz QDECKQDTVKHQTP-JSNMRZPZSA-N 1 2 380.492 3.796 20 30 GHEDLO C=CCOc1ccc(C[N@H+](CC)Cc2nc3ccccc3c(=O)[nH]2)cc1OC ZINC000159898766 863124341 /nfs/dbraw/zinc/12/43/41/863124341.db2.gz DSKKBVXIFQIBKU-UHFFFAOYSA-N 1 2 379.460 3.519 20 30 GHEDLO C=CCOc1ccc(C[N@@H+](CC)Cc2nc3ccccc3c(=O)[nH]2)cc1OC ZINC000159898766 863124351 /nfs/dbraw/zinc/12/43/51/863124351.db2.gz DSKKBVXIFQIBKU-UHFFFAOYSA-N 1 2 379.460 3.519 20 30 GHEDLO Cc1c2cc(C#N)ccc2sc1C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000482495548 863224140 /nfs/dbraw/zinc/22/41/40/863224140.db2.gz XRJUSIROHJGZPJ-UHFFFAOYSA-N 1 2 392.484 3.874 20 30 GHEDLO N#CCn1c(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)cc2ccccc21 ZINC000609200314 881708489 /nfs/dbraw/zinc/70/84/89/881708489.db2.gz UMHZXUMRPOHARK-TWGQIWQCSA-N 1 2 384.483 3.636 20 30 GHEDLO C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281992749 864144953 /nfs/dbraw/zinc/14/49/53/864144953.db2.gz HENVFQLJIUISMM-SJORKVTESA-N 1 2 393.491 3.922 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186163194 864374289 /nfs/dbraw/zinc/37/42/89/864374289.db2.gz LSHKUXCGTLHMOT-CQSZACIVSA-N 1 2 377.513 3.983 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186163194 864374304 /nfs/dbraw/zinc/37/43/04/864374304.db2.gz LSHKUXCGTLHMOT-CQSZACIVSA-N 1 2 377.513 3.983 20 30 GHEDLO C=CC[N@@H+](CC(=O)Nc1cc(Cl)c(OC)cc1OC)Cc1cccc(C#N)c1 ZINC000063300329 864485281 /nfs/dbraw/zinc/48/52/81/864485281.db2.gz HLTIHLVMJCFJOO-UHFFFAOYSA-N 1 2 399.878 3.856 20 30 GHEDLO C=CC[N@H+](CC(=O)Nc1cc(Cl)c(OC)cc1OC)Cc1cccc(C#N)c1 ZINC000063300329 864485286 /nfs/dbraw/zinc/48/52/86/864485286.db2.gz HLTIHLVMJCFJOO-UHFFFAOYSA-N 1 2 399.878 3.856 20 30 GHEDLO CCCn1nc(C)c(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c1C ZINC000475340008 864815304 /nfs/dbraw/zinc/81/53/04/864815304.db2.gz ZVCVAQBSFJWMEW-OAQYLSRUSA-N 1 2 385.943 3.946 20 30 GHEDLO CC(=NNC(=S)Nc1ccccc1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735610760 864880038 /nfs/dbraw/zinc/88/00/38/864880038.db2.gz WIYGYJVEGZYZCP-HXUWFJFHSA-N 1 2 382.533 3.558 20 30 GHEDLO CC(=NNC(=S)Nc1ccccc1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735610760 864880042 /nfs/dbraw/zinc/88/00/42/864880042.db2.gz WIYGYJVEGZYZCP-HXUWFJFHSA-N 1 2 382.533 3.558 20 30 GHEDLO C=CCn1c2nn(C[N@H+]3CCC[C@@H](CC)CC3)c(=S)n2c2ccccc2c1=O ZINC000738256339 865508704 /nfs/dbraw/zinc/50/87/04/865508704.db2.gz SDHBINZLFDSKAB-MRXNPFEDSA-N 1 2 397.548 3.836 20 30 GHEDLO C=CCn1c2nn(C[N@@H+]3CCC[C@@H](CC)CC3)c(=S)n2c2ccccc2c1=O ZINC000738256339 865508708 /nfs/dbraw/zinc/50/87/08/865508708.db2.gz SDHBINZLFDSKAB-MRXNPFEDSA-N 1 2 397.548 3.836 20 30 GHEDLO C[C@H]1c2c(F)cccc2CC[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000738343004 865525136 /nfs/dbraw/zinc/52/51/36/865525136.db2.gz XBDLDCVFOJSGNT-YOEHRIQHSA-N 1 2 386.430 3.982 20 30 GHEDLO C[C@H]1c2c(F)cccc2CC[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000738343004 865525140 /nfs/dbraw/zinc/52/51/40/865525140.db2.gz XBDLDCVFOJSGNT-YOEHRIQHSA-N 1 2 386.430 3.982 20 30 GHEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@@H](C)Cc3ccc(C#N)cc3)CC2)c1 ZINC000594281037 865683559 /nfs/dbraw/zinc/68/35/59/865683559.db2.gz AQOXVLHHGUSTBF-RBUKOAKNSA-N 1 2 391.515 3.651 20 30 GHEDLO O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCCSC1=Nc1ccccc1 ZINC000741171932 866293676 /nfs/dbraw/zinc/29/36/76/866293676.db2.gz CCWYWLRWDBCCER-FQEVSTJZSA-N 1 2 395.528 3.541 20 30 GHEDLO O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCCSC1=Nc1ccccc1 ZINC000741171932 866293692 /nfs/dbraw/zinc/29/36/92/866293692.db2.gz CCWYWLRWDBCCER-FQEVSTJZSA-N 1 2 395.528 3.541 20 30 GHEDLO Cc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1Br ZINC000534495478 866891333 /nfs/dbraw/zinc/89/13/33/866891333.db2.gz VYPPSFQONXHHIM-UHFFFAOYSA-N 1 2 398.304 3.587 20 30 GHEDLO Cc1cc2c(ncnc2N2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)s1 ZINC000444719688 867135750 /nfs/dbraw/zinc/13/57/50/867135750.db2.gz ZTSRVOFAUYDRFE-UHFFFAOYSA-N 1 2 382.920 3.827 20 30 GHEDLO CC1(C(=O)NCCCCn2cc[nH+]c2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000553323219 867219233 /nfs/dbraw/zinc/21/92/33/867219233.db2.gz IOMCFCFRBBKBJY-UHFFFAOYSA-N 1 2 399.926 3.611 20 30 GHEDLO CC(C)(CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1F ZINC000523678268 867762363 /nfs/dbraw/zinc/76/23/63/867762363.db2.gz NBZAEJHQEFXLRM-UHFFFAOYSA-N 1 2 394.494 3.502 20 30 GHEDLO C=CCOc1ccccc1C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000508622032 882150028 /nfs/dbraw/zinc/15/00/28/882150028.db2.gz VSAZFKFUXDPTCE-UHFFFAOYSA-N 1 2 390.443 3.693 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cccnc3-c3ccccc3)CC2)cc1 ZINC000535113851 868186759 /nfs/dbraw/zinc/18/67/59/868186759.db2.gz XLFYVYPMUWQBNZ-UHFFFAOYSA-N 1 2 397.482 3.970 20 30 GHEDLO N#Cc1cccc(OC2CC[NH+](Cc3nnc(-c4cccc(F)c4)o3)CC2)c1 ZINC000743846805 868450794 /nfs/dbraw/zinc/45/07/94/868450794.db2.gz QNFLHWBREMELDT-UHFFFAOYSA-N 1 2 378.407 3.791 20 30 GHEDLO C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793483895 882220270 /nfs/dbraw/zinc/22/02/70/882220270.db2.gz OYDNUDZBEHEMHP-UHFFFAOYSA-N 1 2 391.393 3.587 20 30 GHEDLO C[N@H+](Cc1ccc(OC(F)(F)F)cc1)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793483895 882220291 /nfs/dbraw/zinc/22/02/91/882220291.db2.gz OYDNUDZBEHEMHP-UHFFFAOYSA-N 1 2 391.393 3.587 20 30 GHEDLO N#Cc1c(=O)n(C[N@H+](CCc2ccccc2)Cc2ccncc2)cc2c1CCCC2 ZINC000793490169 882224449 /nfs/dbraw/zinc/22/44/49/882224449.db2.gz IQSVQXXVVBWJNU-UHFFFAOYSA-N 1 2 398.510 3.696 20 30 GHEDLO N#Cc1c(=O)n(C[N@@H+](CCc2ccccc2)Cc2ccncc2)cc2c1CCCC2 ZINC000793490169 882224457 /nfs/dbraw/zinc/22/44/57/882224457.db2.gz IQSVQXXVVBWJNU-UHFFFAOYSA-N 1 2 398.510 3.696 20 30 GHEDLO N#Cc1c(=O)n(C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)cc2c1CCCC2 ZINC000793499832 882248125 /nfs/dbraw/zinc/24/81/25/882248125.db2.gz SBZLGTBAUBGTAK-UHFFFAOYSA-N 1 2 383.442 3.714 20 30 GHEDLO N#Cc1ccc(-c2cccc(CNC(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)c2)s1 ZINC000793538878 882254051 /nfs/dbraw/zinc/25/40/51/882254051.db2.gz DLPQMBHHDIDQIV-FQEVSTJZSA-N 1 2 395.528 3.546 20 30 GHEDLO N#Cc1ccc(-c2cccc(CNC(=O)[C@@H]3COCC[N@H+]3C3CCCC3)c2)s1 ZINC000793538878 882254069 /nfs/dbraw/zinc/25/40/69/882254069.db2.gz DLPQMBHHDIDQIV-FQEVSTJZSA-N 1 2 395.528 3.546 20 30 GHEDLO CC[NH+](CC)[C@H](C(=O)O[C@@H](C)C(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000744996512 869220687 /nfs/dbraw/zinc/22/06/87/869220687.db2.gz KGZCSPPMRYMTAX-JXFKEZNVSA-N 1 2 379.460 3.512 20 30 GHEDLO CC[NH+](CC)[C@H](C(=O)O[C@H](C)C(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000744996517 869221168 /nfs/dbraw/zinc/22/11/68/869221168.db2.gz KGZCSPPMRYMTAX-UZLBHIALSA-N 1 2 379.460 3.512 20 30 GHEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)OC(C)(C)C)cc1 ZINC000793608535 882327302 /nfs/dbraw/zinc/32/73/02/882327302.db2.gz KXUVUIOGXVSXFG-NJAFHUGGSA-N 1 2 391.487 3.757 20 30 GHEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)OC(C)(C)C)cc1 ZINC000793608535 882327314 /nfs/dbraw/zinc/32/73/14/882327314.db2.gz KXUVUIOGXVSXFG-NJAFHUGGSA-N 1 2 391.487 3.757 20 30 GHEDLO C=C(C)COc1cc(C[NH+]2CCN(CC(F)(F)C(F)F)CC2)ccc1OC ZINC000539828483 869862778 /nfs/dbraw/zinc/86/27/78/869862778.db2.gz AHVRTONDPBEFMT-UHFFFAOYSA-N 1 2 390.421 3.668 20 30 GHEDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000539835308 869875986 /nfs/dbraw/zinc/87/59/86/869875986.db2.gz YIGXFFCIDRWAEN-NRFANRHFSA-N 1 2 395.457 3.753 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](Cc3c[nH]nc3-c3ccsc3)CC2)c(Cl)c1 ZINC000446912539 870703340 /nfs/dbraw/zinc/70/33/40/870703340.db2.gz NSYNCZMDKUWFIC-UHFFFAOYSA-N 1 2 383.908 3.985 20 30 GHEDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000191494121 882490146 /nfs/dbraw/zinc/49/01/46/882490146.db2.gz MJRWUGCEVCROHR-RTBURBONSA-N 1 2 384.545 3.640 20 30 GHEDLO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000191494121 882490151 /nfs/dbraw/zinc/49/01/51/882490151.db2.gz MJRWUGCEVCROHR-RTBURBONSA-N 1 2 384.545 3.640 20 30 GHEDLO N#Cc1c2c(cn(C[NH+]3CCC(c4nc5ccccc5s4)CC3)c1=O)CCC2 ZINC000766611175 871256840 /nfs/dbraw/zinc/25/68/40/871256840.db2.gz FMGLPWBZIXRSGL-UHFFFAOYSA-N 1 2 390.512 3.655 20 30 GHEDLO C=CCOc1ccc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 ZINC000508592549 871329604 /nfs/dbraw/zinc/32/96/04/871329604.db2.gz BFEIAACBFZHITG-UHFFFAOYSA-N 1 2 390.443 3.693 20 30 GHEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2cnc(C3CC3)s2)CC1 ZINC000092704488 871831130 /nfs/dbraw/zinc/83/11/30/871831130.db2.gz PLILPISHSHKDMV-UHFFFAOYSA-N 1 2 375.501 3.763 20 30 GHEDLO N#Cc1ccccc1COc1cccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000152951598 872478824 /nfs/dbraw/zinc/47/88/24/872478824.db2.gz MLDGUTAXUXKZAL-OAQYLSRUSA-N 1 2 398.466 3.541 20 30 GHEDLO C=CCOc1cccc(NC(=O)N2CC[NH+](Cc3cc(C)ccc3OC)CC2)c1 ZINC000619350888 872586740 /nfs/dbraw/zinc/58/67/40/872586740.db2.gz HTHKAZGEDHYPEU-UHFFFAOYSA-N 1 2 395.503 3.918 20 30 GHEDLO C=CC[N@H+](CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccco1)[C@@H](C)COC ZINC001196048413 872856488 /nfs/dbraw/zinc/85/64/88/872856488.db2.gz UODDHNBRBUNUMU-RXVVDRJESA-N 1 2 395.503 3.789 20 30 GHEDLO C=CC[N@@H+](CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccco1)[C@@H](C)COC ZINC001196048413 872856505 /nfs/dbraw/zinc/85/65/05/872856505.db2.gz UODDHNBRBUNUMU-RXVVDRJESA-N 1 2 395.503 3.789 20 30 GHEDLO N#Cc1ccccc1NC(=S)NCc1c[nH+]cn1Cc1cccc(Cl)c1 ZINC001196346229 873046874 /nfs/dbraw/zinc/04/68/74/873046874.db2.gz UNANVOGRXHSQAM-UHFFFAOYSA-N 1 2 381.892 3.943 20 30 GHEDLO C=CCC1(c2nc([C@@H]3C[N@H+](Cc4ccccc4C)CCO3)no2)CCOCC1 ZINC000867179405 873157827 /nfs/dbraw/zinc/15/78/27/873157827.db2.gz ALRMZBVMGIHYHJ-IBGZPJMESA-N 1 2 383.492 3.576 20 30 GHEDLO C=CCC1(c2nc([C@@H]3C[N@@H+](Cc4ccccc4C)CCO3)no2)CCOCC1 ZINC000867179405 873157831 /nfs/dbraw/zinc/15/78/31/873157831.db2.gz ALRMZBVMGIHYHJ-IBGZPJMESA-N 1 2 383.492 3.576 20 30 GHEDLO C[C@@H](C(=O)Nc1cccc2ccccc21)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023084743 873543756 /nfs/dbraw/zinc/54/37/56/873543756.db2.gz YYLKZTYVPOJJEF-IBGZPJMESA-N 1 2 398.510 3.856 20 30 GHEDLO C#CC[N@@H+](Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000768932035 873700549 /nfs/dbraw/zinc/70/05/49/873700549.db2.gz LEHBTFXIMNKOHD-SFHVURJKSA-N 1 2 391.577 3.610 20 30 GHEDLO C#CC[N@H+](Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000768932035 873700557 /nfs/dbraw/zinc/70/05/57/873700557.db2.gz LEHBTFXIMNKOHD-SFHVURJKSA-N 1 2 391.577 3.610 20 30 GHEDLO C=CC[N@@H+](CCc1ccccc1)Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1 ZINC000177058973 882757872 /nfs/dbraw/zinc/75/78/72/882757872.db2.gz FWAIJSDEVLPINR-UHFFFAOYSA-N 1 2 394.544 3.751 20 30 GHEDLO C=CC[N@H+](CCc1ccccc1)Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1 ZINC000177058973 882757878 /nfs/dbraw/zinc/75/78/78/882757878.db2.gz FWAIJSDEVLPINR-UHFFFAOYSA-N 1 2 394.544 3.751 20 30 GHEDLO C=CC[N@@H+](C)CC(=O)Nc1ccc(Oc2ccc(Br)cc2)nc1 ZINC000494671266 882786336 /nfs/dbraw/zinc/78/63/36/882786336.db2.gz HRJRRIZZYVUDMD-UHFFFAOYSA-N 1 2 376.254 3.693 20 30 GHEDLO C=CC[N@H+](C)CC(=O)Nc1ccc(Oc2ccc(Br)cc2)nc1 ZINC000494671266 882786352 /nfs/dbraw/zinc/78/63/52/882786352.db2.gz HRJRRIZZYVUDMD-UHFFFAOYSA-N 1 2 376.254 3.693 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2csc(CC)n2)cc1 ZINC000541645278 874040552 /nfs/dbraw/zinc/04/05/52/874040552.db2.gz YDAYEDHQQYWXKT-OAHLLOKOSA-N 1 2 386.521 3.702 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](Cc3cnc(-c4c(F)cccc4F)s3)CC2)nc1 ZINC000449010105 874355493 /nfs/dbraw/zinc/35/54/93/874355493.db2.gz KFMHTGWVGCLRJF-UHFFFAOYSA-N 1 2 397.454 3.677 20 30 GHEDLO NC(=[NH+]OCc1ncn(-c2ccccc2)n1)c1ccc(OCc2ccccc2)cc1 ZINC000770692737 874838169 /nfs/dbraw/zinc/83/81/69/874838169.db2.gz AVSCIDPSMDCQAV-UHFFFAOYSA-N 1 2 399.454 3.683 20 30 GHEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H]2COc2ccc(Cl)cc2)c(C#N)c1C ZINC000770948306 874960332 /nfs/dbraw/zinc/96/03/32/874960332.db2.gz NFHBTIWXQFKJJM-MRXNPFEDSA-N 1 2 387.867 3.903 20 30 GHEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H]2COc2ccc(Cl)cc2)c(C#N)c1C ZINC000770948306 874960341 /nfs/dbraw/zinc/96/03/41/874960341.db2.gz NFHBTIWXQFKJJM-MRXNPFEDSA-N 1 2 387.867 3.903 20 30 GHEDLO COc1cc(Cl)ccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000776072831 875301534 /nfs/dbraw/zinc/30/15/34/875301534.db2.gz XDGKKAXOZISOCE-UHFFFAOYSA-N 1 2 384.867 3.570 20 30 GHEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)c1 ZINC001273845998 875337583 /nfs/dbraw/zinc/33/75/83/875337583.db2.gz ZTPGIYZPSURGIN-DLBZAZTESA-N 1 2 376.847 3.817 20 30 GHEDLO CCOC(=O)[C@H](c1ccc(Cl)cc1)[N@H+](CC)C[C@@H](O)c1ccc(C#N)cc1 ZINC000772297751 875852772 /nfs/dbraw/zinc/85/27/72/875852772.db2.gz LZWNNKAOFINORB-UXHICEINSA-N 1 2 386.879 3.871 20 30 GHEDLO CCOC(=O)[C@H](c1ccc(Cl)cc1)[N@@H+](CC)C[C@@H](O)c1ccc(C#N)cc1 ZINC000772297751 875852779 /nfs/dbraw/zinc/85/27/79/875852779.db2.gz LZWNNKAOFINORB-UXHICEINSA-N 1 2 386.879 3.871 20 30 GHEDLO C[NH+](C)[C@@H](CNc1ncc(Br)cc1C#N)c1c(F)cccc1F ZINC000450330031 876268881 /nfs/dbraw/zinc/26/88/81/876268881.db2.gz HXJWBDAPLJOGIB-AWEZNQCLSA-N 1 2 381.224 3.709 20 30 GHEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001129664200 883068812 /nfs/dbraw/zinc/06/88/12/883068812.db2.gz RAGIBFQSBZQBME-SFHVURJKSA-N 1 2 376.416 3.698 20 30 GHEDLO C#CCCCCCC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787381120 877358119 /nfs/dbraw/zinc/35/81/19/877358119.db2.gz FOMLQXNTSVSUIW-UHFFFAOYSA-N 1 2 392.341 3.723 20 30 GHEDLO Cc1ccc2c(C[NH+]3CCN(c4ccc(C#N)cc4F)CC3)cc(=O)oc2c1C ZINC000110297889 877984335 /nfs/dbraw/zinc/98/43/35/877984335.db2.gz DEOFODXURJMFSZ-UHFFFAOYSA-N 1 2 391.446 3.743 20 30 GHEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)C1 ZINC000852319409 878235062 /nfs/dbraw/zinc/23/50/62/878235062.db2.gz LYEBAJBFJOOETC-KRWDZBQOSA-N 1 2 376.460 3.503 20 30 GHEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)C1 ZINC000852319409 878235077 /nfs/dbraw/zinc/23/50/77/878235077.db2.gz LYEBAJBFJOOETC-KRWDZBQOSA-N 1 2 376.460 3.503 20 30 GHEDLO COC(=O)c1cc2cc(C[N@@H+]3CCC[C@](C#N)(c4ccccn4)C3)ccc2o1 ZINC000852328396 878244247 /nfs/dbraw/zinc/24/42/47/878244247.db2.gz DGIZMTXQFUMESF-JOCHJYFZSA-N 1 2 375.428 3.672 20 30 GHEDLO COC(=O)c1cc2cc(C[N@H+]3CCC[C@](C#N)(c4ccccn4)C3)ccc2o1 ZINC000852328396 878244266 /nfs/dbraw/zinc/24/42/66/878244266.db2.gz DGIZMTXQFUMESF-JOCHJYFZSA-N 1 2 375.428 3.672 20 30 GHEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000852330775 878248441 /nfs/dbraw/zinc/24/84/41/878248441.db2.gz GDFRGZGTRKRJAP-FXAWDEMLSA-N 1 2 389.421 3.561 20 30 GHEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000852330775 878248458 /nfs/dbraw/zinc/24/84/58/878248458.db2.gz GDFRGZGTRKRJAP-FXAWDEMLSA-N 1 2 389.421 3.561 20 30 GHEDLO Fc1ccc(CO[NH+]=Cc2ccc(Br)cc2N2CCOCC2)cc1 ZINC000788722913 878277186 /nfs/dbraw/zinc/27/71/86/878277186.db2.gz HDBTUPWVYAFPPD-UHFFFAOYSA-N 1 2 393.256 3.976 20 30 GHEDLO CSc1ccc([C@H](CNC(=O)[C@@H](C)C#N)[N@@H+]2CCc3sccc3C2)cc1 ZINC000531050806 879018123 /nfs/dbraw/zinc/01/81/23/879018123.db2.gz YHEIYTBYFCQFMX-KSSFIOAISA-N 1 2 385.558 3.845 20 30 GHEDLO CSc1ccc([C@H](CNC(=O)[C@@H](C)C#N)[N@H+]2CCc3sccc3C2)cc1 ZINC000531050806 879018140 /nfs/dbraw/zinc/01/81/40/879018140.db2.gz YHEIYTBYFCQFMX-KSSFIOAISA-N 1 2 385.558 3.845 20 30 GHEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000789562268 879089236 /nfs/dbraw/zinc/08/92/36/879089236.db2.gz WWBRSHGYIDLYDK-UHFFFAOYSA-N 1 2 395.503 3.814 20 30 GHEDLO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(-c3ccc(C(=O)OCC)cc3)o2)n1 ZINC000789757797 879237002 /nfs/dbraw/zinc/23/70/02/879237002.db2.gz BZWXRNFBRZWAHA-UHFFFAOYSA-N 1 2 391.471 3.975 20 30 GHEDLO C#CCn1ccc(C[N@H+](CC)Cc2ccc(-c3ccc(C(=O)OCC)cc3)o2)n1 ZINC000789757797 879237020 /nfs/dbraw/zinc/23/70/20/879237020.db2.gz BZWXRNFBRZWAHA-UHFFFAOYSA-N 1 2 391.471 3.975 20 30 GHEDLO CC1(C)C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@H]1c1ccncc1 ZINC000854042991 879472352 /nfs/dbraw/zinc/47/23/52/879472352.db2.gz YRYVTYOYPVGICV-UTKZUKDTSA-N 1 2 383.455 3.702 20 30 GHEDLO CC1(C)C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@H]1c1ccncc1 ZINC000854042991 879472357 /nfs/dbraw/zinc/47/23/57/879472357.db2.gz YRYVTYOYPVGICV-UTKZUKDTSA-N 1 2 383.455 3.702 20 30 GHEDLO C=CCCn1cc(C[NH+]2CCC(c3nccc(-c4cccc(F)c4)n3)CC2)nn1 ZINC000854108710 879546651 /nfs/dbraw/zinc/54/66/51/879546651.db2.gz GTQKPVALXFCQEK-UHFFFAOYSA-N 1 2 392.482 3.830 20 30 GHEDLO Cc1cc(C#N)ccc1CO[NH+]=C(N)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000776749165 879892716 /nfs/dbraw/zinc/89/27/16/879892716.db2.gz HCQLHRMNBQUONG-UHFFFAOYSA-N 1 2 394.475 3.729 20 30 GHEDLO C=C(C)[C@@H](NC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1)c1ccc(F)c(F)c1 ZINC000185785485 880692481 /nfs/dbraw/zinc/69/24/81/880692481.db2.gz AKQRGBHEAOYDBM-LJQANCHMSA-N 1 2 396.397 3.523 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@H+](Cc3nc(C(F)(F)F)cs3)CC2)C1=O ZINC001275206876 912614954 /nfs/dbraw/zinc/61/49/54/912614954.db2.gz HPVLACNFQMQDPY-QGZVFWFLSA-N 1 2 387.471 3.943 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+](Cc3nc(C(F)(F)F)cs3)CC2)C1=O ZINC001275206876 912614961 /nfs/dbraw/zinc/61/49/61/912614961.db2.gz HPVLACNFQMQDPY-QGZVFWFLSA-N 1 2 387.471 3.943 20 30 GHEDLO CC(C)(C#N)c1ccccc1C[NH+]1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000135178879 883243222 /nfs/dbraw/zinc/24/32/22/883243222.db2.gz NGPMMKXXELQOHV-UHFFFAOYSA-N 1 2 383.442 3.724 20 30 GHEDLO N#C[C@@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccc(Br)cc1 ZINC000609792416 883686739 /nfs/dbraw/zinc/68/67/39/883686739.db2.gz MWSROYIVRIMFCP-QGZVFWFLSA-N 1 2 381.233 3.629 20 30 GHEDLO C[C@@H](CSc1ccc(F)cc1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000494801136 883752288 /nfs/dbraw/zinc/75/22/88/883752288.db2.gz QCMRKHVXEUENIB-KRWDZBQOSA-N 1 2 397.519 3.770 20 30 GHEDLO N#Cc1ccc(Cl)cc1N1CC[NH+]([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000609893870 883801996 /nfs/dbraw/zinc/80/19/96/883801996.db2.gz SSOBOEBMVLVWPL-IBGZPJMESA-N 1 2 376.287 3.721 20 30 GHEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000805785865 884070073 /nfs/dbraw/zinc/07/00/73/884070073.db2.gz KDYDTSPKPBCBBU-RXVVDRJESA-N 1 2 381.545 3.771 20 30 GHEDLO C#C[C@H](C)Oc1ccc(COC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)cc1 ZINC000805927566 884225235 /nfs/dbraw/zinc/22/52/35/884225235.db2.gz FQLHHXRGNHAHAX-INIZCTEOSA-N 1 2 398.528 3.807 20 30 GHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000476207366 884249767 /nfs/dbraw/zinc/24/97/67/884249767.db2.gz SKZHJNOLDDFWJF-JXFKEZNVSA-N 1 2 394.425 3.921 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)Cc2ccc(F)c(F)c2)cc1 ZINC000044438775 884853172 /nfs/dbraw/zinc/85/31/72/884853172.db2.gz WKBOUVCCTPHSNW-UHFFFAOYSA-N 1 2 387.430 3.742 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2ccc(F)c(F)c2)cc1 ZINC000044438775 884853182 /nfs/dbraw/zinc/85/31/82/884853182.db2.gz WKBOUVCCTPHSNW-UHFFFAOYSA-N 1 2 387.430 3.742 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000542543811 884864458 /nfs/dbraw/zinc/86/44/58/884864458.db2.gz IPUSBBTXMBLCNZ-NUJGCVRESA-N 1 2 389.565 3.748 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000542543811 884864474 /nfs/dbraw/zinc/86/44/74/884864474.db2.gz IPUSBBTXMBLCNZ-NUJGCVRESA-N 1 2 389.565 3.748 20 30 GHEDLO N#Cc1ccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1Br ZINC000806621660 884877928 /nfs/dbraw/zinc/87/79/28/884877928.db2.gz WKZZMIRLAVYLTN-UHFFFAOYSA-N 1 2 396.248 3.828 20 30 GHEDLO CC(C)(CNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[NH+]1CCOCC1 ZINC000105040278 887293298 /nfs/dbraw/zinc/29/32/98/887293298.db2.gz GLYGASUZWOHUMD-UHFFFAOYSA-N 1 2 394.475 3.583 20 30 GHEDLO N#CCSc1cccc(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000188763275 887738731 /nfs/dbraw/zinc/73/87/31/887738731.db2.gz YDDLXACDURJLMW-UHFFFAOYSA-N 1 2 385.920 3.744 20 30 GHEDLO N#CCSc1cccc(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000188763275 887738735 /nfs/dbraw/zinc/73/87/35/887738735.db2.gz YDDLXACDURJLMW-UHFFFAOYSA-N 1 2 385.920 3.744 20 30 GHEDLO C[NH+](C)Cc1cnc(/C=C2/COc3ccc(Br)cc3C2=O)s1 ZINC000794697135 887879599 /nfs/dbraw/zinc/87/95/99/887879599.db2.gz IPYPJALZWSFICY-YHYXMXQVSA-N 1 2 379.279 3.626 20 30 GHEDLO CC(C)[N@@H+]1CCO[C@H](c2noc(-c3ccc(COc4ccccc4C#N)o3)n2)C1 ZINC000272693859 888426947 /nfs/dbraw/zinc/42/69/47/888426947.db2.gz UYHOYANCYSXYKN-IBGZPJMESA-N 1 2 394.431 3.562 20 30 GHEDLO CC(C)[N@H+]1CCO[C@H](c2noc(-c3ccc(COc4ccccc4C#N)o3)n2)C1 ZINC000272693859 888426954 /nfs/dbraw/zinc/42/69/54/888426954.db2.gz UYHOYANCYSXYKN-IBGZPJMESA-N 1 2 394.431 3.562 20 30 GHEDLO CC[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccccc1OCC(=O)N(C)C ZINC000866237056 888791148 /nfs/dbraw/zinc/79/11/48/888791148.db2.gz DNTWGYQHKGWEEC-HNAYVOBHSA-N 1 2 381.476 3.533 20 30 GHEDLO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1cccc(C#N)c1O ZINC000866266431 888807531 /nfs/dbraw/zinc/80/75/31/888807531.db2.gz IIAPZXBTNRSFSE-GJZGRUSLSA-N 1 2 383.467 3.776 20 30 GHEDLO COCCN(C)[NH+]=CC1=C(N2CCOCC2)/C(=C\c2ccc(Cl)cc2)CC1 ZINC000794970311 889101441 /nfs/dbraw/zinc/10/14/41/889101441.db2.gz ASJWDHWKRZXFDE-IKMRVOFFSA-N 1 2 389.927 3.668 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(C(F)(F)F)c1 ZINC000811454005 889613954 /nfs/dbraw/zinc/61/39/54/889613954.db2.gz VHMXLXSRDBCHPE-UHFFFAOYSA-N 1 2 390.365 3.807 20 30 GHEDLO C=CC[N@H+](CC(=O)N1CCC(OCc2ccccc2)CC1)Cc1cccs1 ZINC000533215561 890018993 /nfs/dbraw/zinc/01/89/93/890018993.db2.gz FEIRLVFQXHHVPE-UHFFFAOYSA-N 1 2 384.545 3.944 20 30 GHEDLO C=CC[N@@H+](CC(=O)N1CCC(OCc2ccccc2)CC1)Cc1cccs1 ZINC000533215561 890019001 /nfs/dbraw/zinc/01/90/01/890019001.db2.gz FEIRLVFQXHHVPE-UHFFFAOYSA-N 1 2 384.545 3.944 20 30 GHEDLO CC[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(Cl)c1O ZINC000287619263 913448327 /nfs/dbraw/zinc/44/83/27/913448327.db2.gz JTJLQRUOOSHZIJ-MOPGFXCFSA-N 1 2 383.879 3.759 20 30 GHEDLO CC(C)OCCO[NH+]=Cc1cc(Br)cc(Br)c1N ZINC000812239623 890472517 /nfs/dbraw/zinc/47/25/17/890472517.db2.gz YGFRCESAQJSTLC-UHFFFAOYSA-N 1 2 380.080 3.569 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000533481029 890682182 /nfs/dbraw/zinc/68/21/82/890682182.db2.gz YHIACMYDDFZROS-UHFFFAOYSA-N 1 2 391.862 3.816 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000533481029 890682189 /nfs/dbraw/zinc/68/21/89/890682189.db2.gz YHIACMYDDFZROS-UHFFFAOYSA-N 1 2 391.862 3.816 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@H]1CCCc2c1cnn2C ZINC000246212314 890742203 /nfs/dbraw/zinc/74/22/03/890742203.db2.gz CKFDYCXWHAJNJG-QAPCUYQASA-N 1 2 397.548 3.762 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@H]1CCCc2c1cnn2C ZINC000246212314 890742208 /nfs/dbraw/zinc/74/22/08/890742208.db2.gz CKFDYCXWHAJNJG-QAPCUYQASA-N 1 2 397.548 3.762 20 30 GHEDLO N#C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1cccc(Br)c1 ZINC000127715427 891219402 /nfs/dbraw/zinc/21/94/02/891219402.db2.gz UYEIBCIBXTZIEN-KRWDZBQOSA-N 1 2 381.233 3.629 20 30 GHEDLO N#Cc1cccc([C@H](O)C[N@@H+]2CCc3c(F)ccc(Br)c3C2)c1 ZINC001170711625 891928802 /nfs/dbraw/zinc/92/88/02/891928802.db2.gz OMGYJQCGRXDSDZ-GOSISDBHSA-N 1 2 375.241 3.552 20 30 GHEDLO N#Cc1cccc([C@H](O)C[N@H+]2CCc3c(F)ccc(Br)c3C2)c1 ZINC001170711625 891928821 /nfs/dbraw/zinc/92/88/21/891928821.db2.gz OMGYJQCGRXDSDZ-GOSISDBHSA-N 1 2 375.241 3.552 20 30 GHEDLO COc1ccc(C(N)=[NH+]OCC(=O)Nc2ccccc2Oc2ccccc2)cc1 ZINC000917401943 891929172 /nfs/dbraw/zinc/92/91/72/891929172.db2.gz LJZHWDCDUXGWEG-UHFFFAOYSA-N 1 2 391.427 3.763 20 30 GHEDLO CN(C)C(=O)Sc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1 ZINC000933628967 893110795 /nfs/dbraw/zinc/11/07/95/893110795.db2.gz QSTANJCWVNBJHO-HXUWFJFHSA-N 1 2 381.501 3.905 20 30 GHEDLO CN(C)C(=O)Sc1ccc(C[N@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1 ZINC000933628967 893110802 /nfs/dbraw/zinc/11/08/02/893110802.db2.gz QSTANJCWVNBJHO-HXUWFJFHSA-N 1 2 381.501 3.905 20 30 GHEDLO O=C(Nc1ccccc1)[C@H](c1ccccc1)[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933653401 893118602 /nfs/dbraw/zinc/11/86/02/893118602.db2.gz FCSAMILILISIDV-NRFANRHFSA-N 1 2 376.456 3.704 20 30 GHEDLO Cc1ccc(N2CC[N@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)[C@H](C)C2)cc1C ZINC000747972446 893133460 /nfs/dbraw/zinc/13/34/60/893133460.db2.gz ZCTFHPMFLSKZAL-GOSISDBHSA-N 1 2 387.487 3.936 20 30 GHEDLO Cc1ccc(N2CC[N@@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)[C@H](C)C2)cc1C ZINC000747972446 893133461 /nfs/dbraw/zinc/13/34/61/893133461.db2.gz ZCTFHPMFLSKZAL-GOSISDBHSA-N 1 2 387.487 3.936 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[NH+](Cc2ccsc2)CC1 ZINC000533817843 893163944 /nfs/dbraw/zinc/16/39/44/893163944.db2.gz KXNPKKMKUOOLOS-QGZVFWFLSA-N 1 2 389.590 3.531 20 30 GHEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)o2)CC1 ZINC000815185225 893530066 /nfs/dbraw/zinc/53/00/66/893530066.db2.gz DFQPUCXHAWLPIX-UHFFFAOYSA-N 1 2 376.378 3.747 20 30 GHEDLO C#C[C@H]([NH2+]Cc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1)C1CCOCC1 ZINC000877638378 893737775 /nfs/dbraw/zinc/73/77/75/893737775.db2.gz XIOSTCWVBJZGLQ-NRFANRHFSA-N 1 2 397.544 3.963 20 30 GHEDLO CC(C)C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1cnn(C)c1 ZINC000459600755 893884336 /nfs/dbraw/zinc/88/43/36/893884336.db2.gz UTWVBCMPGMIPQL-UHFFFAOYSA-N 1 2 399.564 3.719 20 30 GHEDLO CC(C)C[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1cnn(C)c1 ZINC000459600755 893884354 /nfs/dbraw/zinc/88/43/54/893884354.db2.gz UTWVBCMPGMIPQL-UHFFFAOYSA-N 1 2 399.564 3.719 20 30 GHEDLO CC[N@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000878113682 894029870 /nfs/dbraw/zinc/02/98/70/894029870.db2.gz KZWASENMJGKMFZ-VWNXMTODSA-N 1 2 389.499 3.554 20 30 GHEDLO CC[N@@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000878113682 894029885 /nfs/dbraw/zinc/02/98/85/894029885.db2.gz KZWASENMJGKMFZ-VWNXMTODSA-N 1 2 389.499 3.554 20 30 GHEDLO NC(=[NH+]OCC[C@@H]1CC1(Cl)Cl)c1ccc(OCc2cccnc2)cc1 ZINC000818076508 896016976 /nfs/dbraw/zinc/01/69/76/896016976.db2.gz IJCCBDVGEFEARU-OAHLLOKOSA-N 1 2 380.275 3.881 20 30 GHEDLO C=C(C)C[C@H](C)c1nc(-c2ccc(N3CCN(c4cccc[nH+]4)CC3)nc2)no1 ZINC000568132653 897621323 /nfs/dbraw/zinc/62/13/23/897621323.db2.gz NFROCNIBMNZAKT-KRWDZBQOSA-N 1 2 390.491 3.923 20 30 GHEDLO C/C(=C\C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C[NH+]1CCOCC1 ZINC001136397616 897639148 /nfs/dbraw/zinc/63/91/48/897639148.db2.gz JVTSBQDHSFWXRG-SAPNQHFASA-N 1 2 377.444 3.568 20 30 GHEDLO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000805760611 897764187 /nfs/dbraw/zinc/76/41/87/897764187.db2.gz HPEXGCKVJXFYSN-KRWDZBQOSA-N 1 2 379.888 3.685 20 30 GHEDLO CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000805760611 897764198 /nfs/dbraw/zinc/76/41/98/897764198.db2.gz HPEXGCKVJXFYSN-KRWDZBQOSA-N 1 2 379.888 3.685 20 30 GHEDLO N#CCCN(C(=O)C[NH+]1CCC(C(=O)c2ccccc2)CC1)c1ccccc1 ZINC000014729209 899439241 /nfs/dbraw/zinc/43/92/41/899439241.db2.gz VPRAVSUKRORZND-UHFFFAOYSA-N 1 2 375.472 3.528 20 30 GHEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CCC[C@@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001143723975 900443850 /nfs/dbraw/zinc/44/38/50/900443850.db2.gz LETBVWIGFOZDBZ-LAUBAEHRSA-N 1 2 383.879 3.809 20 30 GHEDLO N#Cc1cccc(Cl)c1C[N@H+]1CCC[C@@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001143723975 900443858 /nfs/dbraw/zinc/44/38/58/900443858.db2.gz LETBVWIGFOZDBZ-LAUBAEHRSA-N 1 2 383.879 3.809 20 30 GHEDLO N#C[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC001186307366 914459303 /nfs/dbraw/zinc/45/93/03/914459303.db2.gz XTMYFPBRKTYCSJ-RPWUZVMVSA-N 1 2 381.479 3.995 20 30 GHEDLO N#C[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1)c1ccccc1 ZINC001186307366 914459311 /nfs/dbraw/zinc/45/93/11/914459311.db2.gz XTMYFPBRKTYCSJ-RPWUZVMVSA-N 1 2 381.479 3.995 20 30 GHEDLO Cc1cccn2cc(Cc3noc(-c4cc(-c5cccc(C#N)c5)no4)n3)[nH+]c12 ZINC000574236073 900827775 /nfs/dbraw/zinc/82/77/75/900827775.db2.gz CIVBCNKDKQXMNP-UHFFFAOYSA-N 1 2 382.383 3.810 20 30 GHEDLO N#CCCSc1ccccc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000126748426 902361827 /nfs/dbraw/zinc/36/18/27/902361827.db2.gz KHQVKNSVHBIQKB-IBGZPJMESA-N 1 2 381.501 3.532 20 30 GHEDLO N#CCCSc1ccccc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000126748426 902361837 /nfs/dbraw/zinc/36/18/37/902361837.db2.gz KHQVKNSVHBIQKB-IBGZPJMESA-N 1 2 381.501 3.532 20 30 GHEDLO C[C@H](c1ccccc1)[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)C1CC1 ZINC000264253111 902966130 /nfs/dbraw/zinc/96/61/30/902966130.db2.gz YBTANRLBSGBAAB-DNVCBOLYSA-N 1 2 386.455 3.737 20 30 GHEDLO C[C@H](c1ccccc1)[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)C1CC1 ZINC000264253111 902966137 /nfs/dbraw/zinc/96/61/37/902966137.db2.gz YBTANRLBSGBAAB-DNVCBOLYSA-N 1 2 386.455 3.737 20 30 GHEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000579040561 904307464 /nfs/dbraw/zinc/30/74/64/904307464.db2.gz PZOFVWDSNRFEEL-MRXNPFEDSA-N 1 2 382.895 3.751 20 30 GHEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000579040561 904307474 /nfs/dbraw/zinc/30/74/74/904307474.db2.gz PZOFVWDSNRFEEL-MRXNPFEDSA-N 1 2 382.895 3.751 20 30 GHEDLO CSc1cc2c(cc1C[NH+]1CCN(c3cccc(F)c3C#N)CC1)OCCO2 ZINC000509523591 904916788 /nfs/dbraw/zinc/91/67/88/904916788.db2.gz GIKQPOVSMBOBRX-UHFFFAOYSA-N 1 2 399.491 3.513 20 30 GHEDLO COC(=O)[C@H](Cc1ccc(C#N)cc1)[NH2+]C1CCC(Oc2ccccc2)CC1 ZINC001173201965 906288372 /nfs/dbraw/zinc/28/83/72/906288372.db2.gz KTOYCATWMTYPIJ-VTLFHKLASA-N 1 2 378.472 3.622 20 30 GHEDLO CC1(C#N)CCC([N@@H+]2CCN(c3cccc(OC(F)(F)F)c3)C(=O)C2)CC1 ZINC001173597225 906550921 /nfs/dbraw/zinc/55/09/21/906550921.db2.gz MNEVPKBNKCIFAA-UHFFFAOYSA-N 1 2 381.398 3.706 20 30 GHEDLO CC1(C#N)CCC([N@H+]2CCN(c3cccc(OC(F)(F)F)c3)C(=O)C2)CC1 ZINC001173597225 906550939 /nfs/dbraw/zinc/55/09/39/906550939.db2.gz MNEVPKBNKCIFAA-UHFFFAOYSA-N 1 2 381.398 3.706 20 30 GHEDLO CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3c(F)cccc3C#N)c[nH+]2)CC1 ZINC001174453630 907059133 /nfs/dbraw/zinc/05/91/33/907059133.db2.gz DKDFYPGBKBJIRC-UHFFFAOYSA-N 1 2 397.454 3.893 20 30 GHEDLO C#CCCCCC(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000773443139 907339636 /nfs/dbraw/zinc/33/96/36/907339636.db2.gz WUKQQUXLKRKCDN-UHFFFAOYSA-N 1 2 388.309 3.868 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[NH+](Cc2ccc(Nc3cccc(C#N)n3)cc2)CC1 ZINC001176040163 907899114 /nfs/dbraw/zinc/89/91/14/907899114.db2.gz OMZQDNHGWFGMDK-UHFFFAOYSA-N 1 2 393.491 3.750 20 30 GHEDLO C[C@H](C#N)OCCSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000801654801 921362312 /nfs/dbraw/zinc/36/23/12/921362312.db2.gz OHQAMRZGIBATRH-OLZOCXBDSA-N 1 2 379.917 3.564 20 30 GHEDLO C[N@H+](Cc1ccc(C#N)o1)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191687573 908659088 /nfs/dbraw/zinc/65/90/88/908659088.db2.gz NBAPBFQKMOWKGC-UHFFFAOYSA-N 1 2 393.281 3.695 20 30 GHEDLO C[N@@H+](Cc1ccc(C#N)o1)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191687573 908659092 /nfs/dbraw/zinc/65/90/92/908659092.db2.gz NBAPBFQKMOWKGC-UHFFFAOYSA-N 1 2 393.281 3.695 20 30 GHEDLO C=CCSc1ccccc1C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000634303991 908664864 /nfs/dbraw/zinc/66/48/64/908664864.db2.gz PFWCNQXFDQSHJH-UHFFFAOYSA-N 1 2 385.558 3.843 20 30 GHEDLO C=C(Br)C[NH+]1CCC(c2noc(-c3ccccc3OC)n2)CC1 ZINC000192339368 908763909 /nfs/dbraw/zinc/76/39/09/908763909.db2.gz PHRXWDJPYBTUOZ-UHFFFAOYSA-N 1 2 378.270 3.833 20 30 GHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1cccc(OCC#N)c1 ZINC000266353971 909092572 /nfs/dbraw/zinc/09/25/72/909092572.db2.gz HVNNHEBIAPNJSB-UHFFFAOYSA-N 1 2 393.491 3.754 20 30 GHEDLO C=CCN(Cc1c[nH+]c2ccc(C)cn12)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001180897697 910444276 /nfs/dbraw/zinc/44/42/76/910444276.db2.gz YJDLOHYCMAWFFY-NRFANRHFSA-N 1 2 377.488 3.805 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000796384661 915355077 /nfs/dbraw/zinc/35/50/77/915355077.db2.gz PUSZYSZZOSSULU-GOSISDBHSA-N 1 2 397.519 3.777 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000796384661 915355097 /nfs/dbraw/zinc/35/50/97/915355097.db2.gz PUSZYSZZOSSULU-GOSISDBHSA-N 1 2 397.519 3.777 20 30 GHEDLO COc1ccc(C#N)c(C(=O)NC[C@@H](c2ccc(Cl)cc2Cl)[NH+](C)C)c1 ZINC001189095322 916400343 /nfs/dbraw/zinc/40/03/43/916400343.db2.gz LGVCRFHZQCJKLJ-SFHVURJKSA-N 1 2 392.286 3.906 20 30 GHEDLO CCCCCCCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1Cc1ccccc1 ZINC001191093256 917779320 /nfs/dbraw/zinc/77/93/20/917779320.db2.gz HPUUCLSYNHGVBC-YADHBBJMSA-N 1 2 387.568 3.684 20 30 GHEDLO Cc1nsc(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)c1C#N ZINC000297410835 919303051 /nfs/dbraw/zinc/30/30/51/919303051.db2.gz LKPUCFPJZHZWGW-SJORKVTESA-N 1 2 378.461 3.570 20 30 GHEDLO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)Cc1ccccn1 ZINC000119733902 919650237 /nfs/dbraw/zinc/65/02/37/919650237.db2.gz PJAVJFLQDLUXMW-UHFFFAOYSA-N 1 2 379.508 3.947 20 30 GHEDLO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)Cc1ccccn1 ZINC000119733902 919650252 /nfs/dbraw/zinc/65/02/52/919650252.db2.gz PJAVJFLQDLUXMW-UHFFFAOYSA-N 1 2 379.508 3.947 20 30 GHEDLO Cc1cc(F)cc2c1C[N@H+](CC(=O)[C@@H](C#N)c1nc3ccccc3s1)CC2 ZINC000800472515 920150873 /nfs/dbraw/zinc/15/08/73/920150873.db2.gz REWBWVYXFGDYJM-MRXNPFEDSA-N 1 2 379.460 3.978 20 30 GHEDLO Cc1cc(F)cc2c1C[N@@H+](CC(=O)[C@@H](C#N)c1nc3ccccc3s1)CC2 ZINC000800472515 920150885 /nfs/dbraw/zinc/15/08/85/920150885.db2.gz REWBWVYXFGDYJM-MRXNPFEDSA-N 1 2 379.460 3.978 20 30 GHEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000900423060 920301694 /nfs/dbraw/zinc/30/16/94/920301694.db2.gz HNTQHUZJOQZFGF-UHFFFAOYSA-N 1 2 387.487 3.918 20 30 GHEDLO CC(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(C#N)cc2Br)C1=O ZINC001275979365 920644563 /nfs/dbraw/zinc/64/45/63/920644563.db2.gz HCTJGTIQFKVNSA-IBGZPJMESA-N 1 2 390.325 3.544 20 30 GHEDLO CC(C)CN1CC[C@@]2(CCC[N@H+]2Cc2ccc(C#N)cc2Br)C1=O ZINC001275979365 920644571 /nfs/dbraw/zinc/64/45/71/920644571.db2.gz HCTJGTIQFKVNSA-IBGZPJMESA-N 1 2 390.325 3.544 20 30 GHEDLO CC(C)n1c[nH+]cc1/C=C\C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000901427708 921095717 /nfs/dbraw/zinc/09/57/17/921095717.db2.gz OSKAGKVBGJTIPW-FLIBITNWSA-N 1 2 387.505 3.535 20 30 GHEDLO C[C@@H](Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(=O)Nc1ccccc1C#N ZINC000368428430 922667647 /nfs/dbraw/zinc/66/76/47/922667647.db2.gz FUPIQJQNTLCHEW-MRXNPFEDSA-N 1 2 383.455 3.913 20 30 GHEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCCC[C@H]2c2nnc(C3CCOCC3)o2)cc1 ZINC000370157860 923911764 /nfs/dbraw/zinc/91/17/64/923911764.db2.gz AVBVFGFZKKNXJB-UZLBHIALSA-N 1 2 396.491 3.982 20 30 GHEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2CCCC[C@H]2c2nnc(C3CCOCC3)o2)cc1 ZINC000370157860 923911783 /nfs/dbraw/zinc/91/17/83/923911783.db2.gz AVBVFGFZKKNXJB-UZLBHIALSA-N 1 2 396.491 3.982 20 30 GHEDLO N#Cc1ccc(C2=CCN(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)CC2)cc1 ZINC000371338407 924534888 /nfs/dbraw/zinc/53/48/88/924534888.db2.gz BYYLCQKFRSUCHO-UHFFFAOYSA-N 1 2 387.487 3.552 20 30 GHEDLO N#CCCCNC(=O)[C@H]1CC12CC[NH+](Cc1c(F)ccc(Cl)c1F)CC2 ZINC001276052596 924926842 /nfs/dbraw/zinc/92/68/42/924926842.db2.gz DHHZKBSFUDQBGO-CQSZACIVSA-N 1 2 381.854 3.640 20 30 GHEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1cc(NC(C)=O)ccc1OC ZINC000411140159 926117455 /nfs/dbraw/zinc/11/74/55/926117455.db2.gz SOIDOONCNLRVFW-AWEZNQCLSA-N 1 2 387.505 3.730 20 30 GHEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1cc(NC(C)=O)ccc1OC ZINC000411140159 926117464 /nfs/dbraw/zinc/11/74/64/926117464.db2.gz SOIDOONCNLRVFW-AWEZNQCLSA-N 1 2 387.505 3.730 20 30 GHEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000411181165 926176037 /nfs/dbraw/zinc/17/60/37/926176037.db2.gz UCHKPXUZARDKIF-OAHLLOKOSA-N 1 2 399.447 3.627 20 30 GHEDLO C=CC[N@H+](Cc1ccc(OC)cc1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000411181165 926176043 /nfs/dbraw/zinc/17/60/43/926176043.db2.gz UCHKPXUZARDKIF-OAHLLOKOSA-N 1 2 399.447 3.627 20 30 GHEDLO CCOC(=O)C[N@H+](CCC(=O)Nc1ccccc1C#N)[C@H](C)c1ccccc1 ZINC000411407651 926367025 /nfs/dbraw/zinc/36/70/25/926367025.db2.gz MOAQCBOUJQANJC-QGZVFWFLSA-N 1 2 379.460 3.513 20 30 GHEDLO CCOC(=O)C[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@H](C)c1ccccc1 ZINC000411407651 926367148 /nfs/dbraw/zinc/36/71/48/926367148.db2.gz MOAQCBOUJQANJC-QGZVFWFLSA-N 1 2 379.460 3.513 20 30 GHEDLO C=CCn1c2ccccc2n(C[NH+]2CCC(N(C)C(=O)OCC)CC2)c1=S ZINC000726965519 926959632 /nfs/dbraw/zinc/95/96/32/926959632.db2.gz CQHDRWHVHGAHKW-UHFFFAOYSA-N 1 2 388.537 3.868 20 30 GHEDLO C=CCn1c(-c2ccccc2F)nn(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1=S ZINC000749798417 927276527 /nfs/dbraw/zinc/27/65/27/927276527.db2.gz HLKWQZCRPTVZSB-CVEARBPZSA-N 1 2 388.512 3.722 20 30 GHEDLO C=CCn1c(-c2ccccc2F)nn(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1=S ZINC000749798417 927276536 /nfs/dbraw/zinc/27/65/36/927276536.db2.gz HLKWQZCRPTVZSB-CVEARBPZSA-N 1 2 388.512 3.722 20 30 GHEDLO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C=NNC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753934786 929601113 /nfs/dbraw/zinc/60/11/13/929601113.db2.gz KNADHFBUOYVCPD-HZPDHXFCSA-N 1 2 391.306 3.681 20 30 GHEDLO COc1cc(C#N)ccc1NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000546005219 929766360 /nfs/dbraw/zinc/76/63/60/929766360.db2.gz GSCLBXAZRFCEAK-TZIWHRDSSA-N 1 2 387.443 3.814 20 30 GHEDLO CCCC[C@@H](ON=C(C)C)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000780979215 930660320 /nfs/dbraw/zinc/66/03/20/930660320.db2.gz PDQACWAHSHJVPQ-GOSISDBHSA-N 1 2 389.544 3.528 20 30 GHEDLO C#CCOc1ccccc1C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000784546625 931931577 /nfs/dbraw/zinc/93/15/77/931931577.db2.gz ZTTMTBFWXJZBOY-UHFFFAOYSA-N 1 2 387.270 3.876 20 30 GHEDLO COc1ccc2c(c1)C1(CC1)C[N@H+]([C@@H](C)C(=O)N(CCC#N)c1ccccc1)C2 ZINC000558477518 932025899 /nfs/dbraw/zinc/02/58/99/932025899.db2.gz AHGMRRHHFVUWOO-SFHVURJKSA-N 1 2 389.499 3.878 20 30 GHEDLO COc1ccc2c(c1)C1(CC1)C[N@@H+]([C@@H](C)C(=O)N(CCC#N)c1ccccc1)C2 ZINC000558477518 932025900 /nfs/dbraw/zinc/02/59/00/932025900.db2.gz AHGMRRHHFVUWOO-SFHVURJKSA-N 1 2 389.499 3.878 20 30 GHEDLO C[N@@H+]1CCO[C@@H]([C@H](Nc2ccc(C#N)c([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000558597305 932096261 /nfs/dbraw/zinc/09/62/61/932096261.db2.gz SGAZKKFFQAVPOB-RTBURBONSA-N 1 2 386.839 3.604 20 30 GHEDLO C[N@H+]1CCO[C@@H]([C@H](Nc2ccc(C#N)c([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000558597305 932096267 /nfs/dbraw/zinc/09/62/67/932096267.db2.gz SGAZKKFFQAVPOB-RTBURBONSA-N 1 2 386.839 3.604 20 30 GHEDLO C[C@@H](CC(C)(C)C#N)[N@@H+]1CCc2sc(CNC(=O)OC(C)(C)C)nc2C1 ZINC000926847888 932325286 /nfs/dbraw/zinc/32/52/86/932325286.db2.gz ORROSBSNDNNHND-ZDUSSCGKSA-N 1 2 378.542 3.854 20 30 GHEDLO C[C@@H](CC(C)(C)C#N)[N@H+]1CCc2sc(CNC(=O)OC(C)(C)C)nc2C1 ZINC000926847888 932325292 /nfs/dbraw/zinc/32/52/92/932325292.db2.gz ORROSBSNDNNHND-ZDUSSCGKSA-N 1 2 378.542 3.854 20 30 GHEDLO Cc1cc(Br)cn2cc(CCNC(=O)c3ccc(C)c(C#N)c3)[nH+]c12 ZINC000799365952 932974509 /nfs/dbraw/zinc/97/45/09/932974509.db2.gz UDCKXENBKTWJLZ-UHFFFAOYSA-N 1 2 397.276 3.558 20 30 GHEDLO COC[C@H](C)N[NH+]=CC1=C(N2CCOCC2)/C(=C\c2ccc(Cl)cc2)CC1 ZINC000777901789 934024525 /nfs/dbraw/zinc/02/45/25/934024525.db2.gz LXEIEMYYIPSSPQ-FGKOODQKSA-N 1 2 389.927 3.714 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC001121510562 934679587 /nfs/dbraw/zinc/67/95/87/934679587.db2.gz YJFDQSZFEDNNTO-SZMVWBNQSA-N 1 2 387.553 3.649 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC001121510562 934679591 /nfs/dbraw/zinc/67/95/91/934679591.db2.gz YJFDQSZFEDNNTO-SZMVWBNQSA-N 1 2 387.553 3.649 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@@H](c2ccccc2)[C@H]1C ZINC001121799889 934767573 /nfs/dbraw/zinc/76/75/73/934767573.db2.gz BTBUMUNYHFSOCQ-WIYYLYMNSA-N 1 2 392.551 3.773 20 30 GHEDLO C=C(C)Cn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@@H]2OCC[C@@H]2C1 ZINC001122441885 934870783 /nfs/dbraw/zinc/87/07/83/934870783.db2.gz WTSZXLMQYXEICR-NRSPTQNISA-N 1 2 395.551 3.662 20 30 GHEDLO C=C(C)Cn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@@H]2OCC[C@@H]2C1 ZINC001122441885 934870790 /nfs/dbraw/zinc/87/07/90/934870790.db2.gz WTSZXLMQYXEICR-NRSPTQNISA-N 1 2 395.551 3.662 20 30 GHEDLO CC(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)Cc1ccsc1 ZINC001122831344 935002608 /nfs/dbraw/zinc/00/26/08/935002608.db2.gz JULWICBOCLKXAZ-UHFFFAOYSA-N 1 2 386.569 3.725 20 30 GHEDLO C=CC[C@H]1CCCN(c2nnc([C@H]3CCCC[N@H+]3C)n2Cc2cc(C)on2)C1 ZINC001123858253 935310730 /nfs/dbraw/zinc/31/07/30/935310730.db2.gz YDAVFHWDIAQDEX-PKOBYXMFSA-N 1 2 384.528 3.572 20 30 GHEDLO C=CC[C@H]1CCCN(c2nnc([C@H]3CCCC[N@@H+]3C)n2Cc2cc(C)on2)C1 ZINC001123858253 935310739 /nfs/dbraw/zinc/31/07/39/935310739.db2.gz YDAVFHWDIAQDEX-PKOBYXMFSA-N 1 2 384.528 3.572 20 30 GHEDLO N#Cc1cccc(N2C[C@@]3(CC[N@@H+](Cc4c(F)ccc(F)c4F)C3)CC2=O)c1 ZINC001137929245 935875479 /nfs/dbraw/zinc/87/54/79/935875479.db2.gz QBUGOXRTNYIWIE-NRFANRHFSA-N 1 2 385.389 3.605 20 30 GHEDLO N#Cc1cccc(N2C[C@@]3(CC[N@H+](Cc4c(F)ccc(F)c4F)C3)CC2=O)c1 ZINC001137929245 935875482 /nfs/dbraw/zinc/87/54/82/935875482.db2.gz QBUGOXRTNYIWIE-NRFANRHFSA-N 1 2 385.389 3.605 20 30 GHEDLO N#Cc1ccc(NC(=S)NCc2c[nH+]cn2C2CCC2)c(Br)c1 ZINC001201134670 1014987428 /nfs/dbraw/zinc/98/74/28/1014987428.db2.gz MZEROIYAIKDUFY-UHFFFAOYSA-N 1 2 390.310 3.729 20 30 GHEDLO C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000467980597 1015096080 /nfs/dbraw/zinc/09/60/80/1015096080.db2.gz ZLJJUGZJTQKTPZ-STQMWFEESA-N 1 2 387.534 3.513 20 30 GHEDLO N#Cc1cc(NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)ccc1OCC(F)(F)F ZINC000468436785 1015705781 /nfs/dbraw/zinc/70/57/81/1015705781.db2.gz QXVQIVQYISJSRD-QGZVFWFLSA-N 1 2 389.377 3.712 20 30 GHEDLO N#Cc1cc(NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)ccc1OCC(F)(F)F ZINC000468436785 1015705784 /nfs/dbraw/zinc/70/57/84/1015705784.db2.gz QXVQIVQYISJSRD-QGZVFWFLSA-N 1 2 389.377 3.712 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2nc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001227245940 1032340931 /nfs/dbraw/zinc/34/09/31/1032340931.db2.gz DCNJIQFCZBVLRT-AWEZNQCLSA-N 1 2 392.337 3.534 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2nc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001227245940 1032340943 /nfs/dbraw/zinc/34/09/43/1032340943.db2.gz DCNJIQFCZBVLRT-AWEZNQCLSA-N 1 2 392.337 3.534 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2ncc(Br)cc2F)C1 ZINC001227403060 1032406617 /nfs/dbraw/zinc/40/66/17/1032406617.db2.gz WXZSQZOEVYXRHS-OAHLLOKOSA-N 1 2 376.229 3.508 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2ncc(Br)cc2F)C1 ZINC001227403060 1032406624 /nfs/dbraw/zinc/40/66/24/1032406624.db2.gz WXZSQZOEVYXRHS-OAHLLOKOSA-N 1 2 376.229 3.508 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccnc(OCC)c1Cl ZINC001277222765 1032476756 /nfs/dbraw/zinc/47/67/56/1032476756.db2.gz AAACDDXGRFXTIA-FQEVSTJZSA-N 1 2 377.916 3.667 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccnc(OCC)c1Cl ZINC001277222765 1032476761 /nfs/dbraw/zinc/47/67/61/1032476761.db2.gz AAACDDXGRFXTIA-FQEVSTJZSA-N 1 2 377.916 3.667 20 30 GHEDLO Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC001204144463 1032600412 /nfs/dbraw/zinc/60/04/12/1032600412.db2.gz HVPLFRHXAAQKBF-QHCPKHFHSA-N 1 2 389.478 3.702 20 30 GHEDLO N#CCCCOc1ccc[nH+]c1NCc1cccc(I)c1 ZINC000559986350 1017525873 /nfs/dbraw/zinc/52/58/73/1017525873.db2.gz CDMURNQLXBQMAQ-UHFFFAOYSA-N 1 2 393.228 3.981 20 30 GHEDLO C=CCOc1ccc(C[N@@H+]2Cc3nn(CC4CC4)cc3[C@@H](COCC)C2)cc1 ZINC001204301125 1032742335 /nfs/dbraw/zinc/74/23/35/1032742335.db2.gz OKWMAFRIUUITLU-HXUWFJFHSA-N 1 2 381.520 3.994 20 30 GHEDLO C=CCOc1ccc(C[N@H+]2Cc3nn(CC4CC4)cc3[C@@H](COCC)C2)cc1 ZINC001204301125 1032742346 /nfs/dbraw/zinc/74/23/46/1032742346.db2.gz OKWMAFRIUUITLU-HXUWFJFHSA-N 1 2 381.520 3.994 20 30 GHEDLO C=CCOc1ccc(C[N@@H+]2CCC(F)(F)[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001204302687 1032745042 /nfs/dbraw/zinc/74/50/42/1032745042.db2.gz QGBBEVZTHGTDBI-QGZVFWFLSA-N 1 2 382.451 3.986 20 30 GHEDLO C=CCOc1ccc(C[N@H+]2CCC(F)(F)[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001204302687 1032745054 /nfs/dbraw/zinc/74/50/54/1032745054.db2.gz QGBBEVZTHGTDBI-QGZVFWFLSA-N 1 2 382.451 3.986 20 30 GHEDLO C=CCOc1ccc(C[N@@H+]2CCC(F)(F)[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001204302685 1032745206 /nfs/dbraw/zinc/74/52/06/1032745206.db2.gz QGBBEVZTHGTDBI-KRWDZBQOSA-N 1 2 382.451 3.986 20 30 GHEDLO C=CCOc1ccc(C[N@H+]2CCC(F)(F)[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001204302685 1032745220 /nfs/dbraw/zinc/74/52/20/1032745220.db2.gz QGBBEVZTHGTDBI-KRWDZBQOSA-N 1 2 382.451 3.986 20 30 GHEDLO Cc1[nH]c(CN2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)[nH+]c1C ZINC000932945231 1018776573 /nfs/dbraw/zinc/77/65/73/1018776573.db2.gz TWIFCDNFWPZCMC-DTORHVGOSA-N 1 2 377.279 3.629 20 30 GHEDLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc(C#N)c1 ZINC000155793493 1019553211 /nfs/dbraw/zinc/55/32/11/1019553211.db2.gz XHPMDQHAISGXJH-VGOFRKELSA-N 1 2 376.504 3.634 20 30 GHEDLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc(C#N)c1 ZINC000155793493 1019553223 /nfs/dbraw/zinc/55/32/23/1019553223.db2.gz XHPMDQHAISGXJH-VGOFRKELSA-N 1 2 376.504 3.634 20 30 GHEDLO N#Cc1ccc(CN(CCn2cc[nH+]c2)Cc2ccc(Br)o2)s1 ZINC000577423897 1020183016 /nfs/dbraw/zinc/18/30/16/1020183016.db2.gz AUHCAFUOBHJHMR-UHFFFAOYSA-N 1 2 391.294 3.874 20 30 GHEDLO O=C(C#Cc1ccc(C(F)(F)F)cc1)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000190035046 1020538030 /nfs/dbraw/zinc/53/80/30/1020538030.db2.gz DGSYCRZLOGGNGA-UHFFFAOYSA-N 1 2 388.389 3.528 20 30 GHEDLO CC(C)(C)C[C@H]1CN(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)C(=O)O1 ZINC000795713733 1021099760 /nfs/dbraw/zinc/09/97/60/1021099760.db2.gz LILTXZNHAFIWIJ-KRWDZBQOSA-N 1 2 389.471 3.755 20 30 GHEDLO Brc1cn2c(C[NH+]3CCC(C#Cc4ccccc4)CC3)cnc2cn1 ZINC001140245020 1021220224 /nfs/dbraw/zinc/22/02/24/1021220224.db2.gz UKKJHWGOYXWXLE-UHFFFAOYSA-N 1 2 395.304 3.756 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1Cc1ccccc1-c1cccnc1 ZINC001140314503 1021380469 /nfs/dbraw/zinc/38/04/69/1021380469.db2.gz AJGKMGRBKLSDSX-JOCHJYFZSA-N 1 2 389.503 3.662 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1Cc1ccccc1-c1cccnc1 ZINC001140314503 1021380489 /nfs/dbraw/zinc/38/04/89/1021380489.db2.gz AJGKMGRBKLSDSX-JOCHJYFZSA-N 1 2 389.503 3.662 20 30 GHEDLO CN(C)c1cc(N2CC[C@@H](C(C#N)(c3ccccc3)c3ccccc3)C2)nc[nH+]1 ZINC001156582316 1033113679 /nfs/dbraw/zinc/11/36/79/1033113679.db2.gz IHZCEOBOAFSXHO-OAQYLSRUSA-N 1 2 383.499 3.879 20 30 GHEDLO CN(C)c1cc(N2CC[C@@H](C(C#N)(c3ccccc3)c3ccccc3)C2)[nH+]cn1 ZINC001156582316 1033113689 /nfs/dbraw/zinc/11/36/89/1033113689.db2.gz IHZCEOBOAFSXHO-OAQYLSRUSA-N 1 2 383.499 3.879 20 30 GHEDLO C=CCn1c(-c2ccccc2F)nn(C[N@@H+]2CCC[C@H]3COCC[C@H]32)c1=S ZINC000756890584 1023848471 /nfs/dbraw/zinc/84/84/71/1023848471.db2.gz TTZSGWONUFCXMD-MAUKXSAKSA-N 1 2 388.512 3.865 20 30 GHEDLO C=CCn1c(-c2ccccc2F)nn(C[N@H+]2CCC[C@H]3COCC[C@H]32)c1=S ZINC000756890584 1023848480 /nfs/dbraw/zinc/84/84/80/1023848480.db2.gz TTZSGWONUFCXMD-MAUKXSAKSA-N 1 2 388.512 3.865 20 30 GHEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831539516 1024630900 /nfs/dbraw/zinc/63/09/00/1024630900.db2.gz STSZQMQTEDIWKB-UYAOXDASSA-N 1 2 379.416 3.560 20 30 GHEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831539516 1024630909 /nfs/dbraw/zinc/63/09/09/1024630909.db2.gz STSZQMQTEDIWKB-UYAOXDASSA-N 1 2 379.416 3.560 20 30 GHEDLO C(#Cc1ccc(C[N@@H+]2CCc3onc(Cn4cccn4)c3C2)cc1)c1ccccc1 ZINC001138334991 1024696879 /nfs/dbraw/zinc/69/68/79/1024696879.db2.gz BOFQBPHLXAZJNA-UHFFFAOYSA-N 1 2 394.478 3.878 20 30 GHEDLO C(#Cc1ccc(C[N@H+]2CCc3onc(Cn4cccn4)c3C2)cc1)c1ccccc1 ZINC001138334991 1024696882 /nfs/dbraw/zinc/69/68/82/1024696882.db2.gz BOFQBPHLXAZJNA-UHFFFAOYSA-N 1 2 394.478 3.878 20 30 GHEDLO C#CCOc1ccc(C[N@@H+]2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)cc1OC ZINC001138346677 1024707711 /nfs/dbraw/zinc/70/77/11/1024707711.db2.gz LUOMESCQCXOUDS-IRXDYDNUSA-N 1 2 388.508 3.537 20 30 GHEDLO C#CCOc1ccc(C[N@H+]2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)cc1OC ZINC001138346677 1024707722 /nfs/dbraw/zinc/70/77/22/1024707722.db2.gz LUOMESCQCXOUDS-IRXDYDNUSA-N 1 2 388.508 3.537 20 30 GHEDLO C#CCOc1ccc(C[NH+]2CCN([C@H](C)c3ccc(F)cc3)CC2)cc1OC ZINC001138347013 1024708596 /nfs/dbraw/zinc/70/85/96/1024708596.db2.gz CZFOWDQNUXBNON-GOSISDBHSA-N 1 2 382.479 3.725 20 30 GHEDLO COc1cc(C#N)ccc1OC1CC[NH+](Cc2cc(F)c(OC)c(F)c2)CC1 ZINC001138426388 1024819525 /nfs/dbraw/zinc/81/95/25/1024819525.db2.gz RADKURCCCFAZSU-UHFFFAOYSA-N 1 2 388.414 3.897 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cnc(C)c(Br)c1 ZINC001277352938 1033259007 /nfs/dbraw/zinc/25/90/07/1033259007.db2.gz ZVHLIIMJSJCHBF-LJQANCHMSA-N 1 2 392.341 3.686 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cnc(C)c(Br)c1 ZINC001277352938 1033259019 /nfs/dbraw/zinc/25/90/19/1033259019.db2.gz ZVHLIIMJSJCHBF-LJQANCHMSA-N 1 2 392.341 3.686 20 30 GHEDLO C=C(C)COc1ccccc1CN1CCc2c([nH+]cn2C(C)C)[C@H]1CNC(C)=O ZINC001138661781 1025180762 /nfs/dbraw/zinc/18/07/62/1025180762.db2.gz ZZJONYBOHJLRKI-OAQYLSRUSA-N 1 2 396.535 3.654 20 30 GHEDLO COc1cc[nH+]c(C(C)(C)CNc2nc(C#N)ccc2NC(=O)C(C)(C)C)c1 ZINC001162129476 1025621941 /nfs/dbraw/zinc/62/19/41/1025621941.db2.gz HBHLKKMSGQQDME-UHFFFAOYSA-N 1 2 381.480 3.731 20 30 GHEDLO C=CCOC[C@H]1C[N@H+](Cc2ccccc2OCC=C)Cc2nnn(CC3CC3)c21 ZINC001139028320 1025795419 /nfs/dbraw/zinc/79/54/19/1025795419.db2.gz RPOYTFIRLNSOLH-HXUWFJFHSA-N 1 2 394.519 3.555 20 30 GHEDLO C=CCOC[C@H]1C[N@@H+](Cc2ccccc2OCC=C)Cc2nnn(CC3CC3)c21 ZINC001139028320 1025795434 /nfs/dbraw/zinc/79/54/34/1025795434.db2.gz RPOYTFIRLNSOLH-HXUWFJFHSA-N 1 2 394.519 3.555 20 30 GHEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cccn2Cc2cnc(Cl)s2)C1 ZINC001139370371 1026244915 /nfs/dbraw/zinc/24/49/15/1026244915.db2.gz WTXVFIHNPLMVNP-AWEZNQCLSA-N 1 2 394.928 3.523 20 30 GHEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cccn2Cc2cnc(Cl)s2)C1 ZINC001139370371 1026244929 /nfs/dbraw/zinc/24/49/29/1026244929.db2.gz WTXVFIHNPLMVNP-AWEZNQCLSA-N 1 2 394.928 3.523 20 30 GHEDLO N#Cc1cc(F)cc(C[N@@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)c1 ZINC001139877492 1026693610 /nfs/dbraw/zinc/69/36/10/1026693610.db2.gz LMYHKQYXIHRSRK-SIKLNZKXSA-N 1 2 381.451 3.542 20 30 GHEDLO N#Cc1cc(F)cc(C[N@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)c1 ZINC001139877492 1026693615 /nfs/dbraw/zinc/69/36/15/1026693615.db2.gz LMYHKQYXIHRSRK-SIKLNZKXSA-N 1 2 381.451 3.542 20 30 GHEDLO Cc1c(F)cc[nH+]c1N1CCC[C@@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001166456313 1027005565 /nfs/dbraw/zinc/00/55/65/1027005565.db2.gz WPQGTUZCPQYCOO-JOCHJYFZSA-N 1 2 380.467 3.524 20 30 GHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1=S ZINC000840119704 1027236326 /nfs/dbraw/zinc/23/63/26/1027236326.db2.gz INWSDQORBWYKEW-IPMKNSEASA-N 1 2 399.564 3.635 20 30 GHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1=S ZINC000840119704 1027236349 /nfs/dbraw/zinc/23/63/49/1027236349.db2.gz INWSDQORBWYKEW-IPMKNSEASA-N 1 2 399.564 3.635 20 30 GHEDLO N#C[C@H]1C[NH2+]CCN1Cc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC001210120685 1027346691 /nfs/dbraw/zinc/34/66/91/1027346691.db2.gz HEOVVKBQNZDHRN-AWEZNQCLSA-N 1 2 396.800 3.843 20 30 GHEDLO N#Cc1cc(F)ccc1Nc1cc(I)c2[nH+]ccn2c1 ZINC001210550567 1027553007 /nfs/dbraw/zinc/55/30/07/1027553007.db2.gz KJPQETHQMFATHU-UHFFFAOYSA-N 1 2 378.148 3.693 20 30 GHEDLO N#Cc1ccc(Nc2cc(I)c3[nH+]ccn3c2)cc1F ZINC001204054369 1027841251 /nfs/dbraw/zinc/84/12/51/1027841251.db2.gz RIPMJRHWUMHQHK-UHFFFAOYSA-N 1 2 378.148 3.693 20 30 GHEDLO COc1ccc(C[NH+]2CCOCC2)cc1Nc1ccc(N2CCCC2)c(C#N)c1 ZINC001215549444 1029271824 /nfs/dbraw/zinc/27/18/24/1029271824.db2.gz QDSPMNXENXBWBY-UHFFFAOYSA-N 1 2 392.503 3.743 20 30 GHEDLO C=CCOC(=O)c1ccccc1Nc1cc(C[NH+]2CCOCC2)ccc1OC ZINC001215551831 1029276695 /nfs/dbraw/zinc/27/66/95/1029276695.db2.gz MOWKCZUXOSMTDG-UHFFFAOYSA-N 1 2 382.460 3.614 20 30 GHEDLO Cc1c(C#N)cccc1Nc1cncnc1[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001216173537 1029556744 /nfs/dbraw/zinc/55/67/44/1029556744.db2.gz JXZPSAAODFHQBC-JOCHJYFZSA-N 1 2 385.471 3.974 20 30 GHEDLO Cc1c(C#N)cccc1Nc1cncnc1[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001216173537 1029556747 /nfs/dbraw/zinc/55/67/47/1029556747.db2.gz JXZPSAAODFHQBC-JOCHJYFZSA-N 1 2 385.471 3.974 20 30 GHEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C2)c1F ZINC001143170065 1029881100 /nfs/dbraw/zinc/88/11/00/1029881100.db2.gz XDKPGWPIKSXOKQ-PGRDOPGGSA-N 1 2 399.441 3.572 20 30 GHEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C2)c1F ZINC001143170065 1029881104 /nfs/dbraw/zinc/88/11/04/1029881104.db2.gz XDKPGWPIKSXOKQ-PGRDOPGGSA-N 1 2 399.441 3.572 20 30 GHEDLO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3c(F)ccc(C#N)c3F)C[C@H]12 ZINC001143171357 1029881508 /nfs/dbraw/zinc/88/15/08/1029881508.db2.gz XIZNQGWBJRAWPK-JTHBVZDNSA-N 1 2 395.453 3.601 20 30 GHEDLO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@@H+](Cc3c(F)ccc(C#N)c3F)C[C@H]12 ZINC001143171357 1029881514 /nfs/dbraw/zinc/88/15/14/1029881514.db2.gz XIZNQGWBJRAWPK-JTHBVZDNSA-N 1 2 395.453 3.601 20 30 GHEDLO N#Cc1cc(C[N@@H+]2CCO[C@]3(CCC[C@H]3COCc3ccncc3)C2)ccc1F ZINC001205466915 1033425631 /nfs/dbraw/zinc/42/56/31/1033425631.db2.gz BIRHIRFODKBFEC-JTHBVZDNSA-N 1 2 395.478 3.680 20 30 GHEDLO N#Cc1cc(C[N@H+]2CCO[C@]3(CCC[C@H]3COCc3ccncc3)C2)ccc1F ZINC001205466915 1033425634 /nfs/dbraw/zinc/42/56/34/1033425634.db2.gz BIRHIRFODKBFEC-JTHBVZDNSA-N 1 2 395.478 3.680 20 30 GHEDLO Cc1ccc(C[NH+]2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)c(F)c1 ZINC001206585453 1033916420 /nfs/dbraw/zinc/91/64/20/1033916420.db2.gz ROTCWZSLACFTBW-UHFFFAOYSA-N 1 2 375.451 3.718 20 30 GHEDLO N#C[C@H](Oc1nc(=O)[nH]c2c1CC[N@H+](Cc1ccccc1)C2)c1cccc(F)c1 ZINC001230185731 1033935299 /nfs/dbraw/zinc/93/52/99/1033935299.db2.gz IGKZYJKZJHBTIC-FQEVSTJZSA-N 1 2 390.418 3.523 20 30 GHEDLO N#C[C@H](Oc1nc(=O)[nH]c2c1CC[N@@H+](Cc1ccccc1)C2)c1cccc(F)c1 ZINC001230185731 1033935306 /nfs/dbraw/zinc/93/53/06/1033935306.db2.gz IGKZYJKZJHBTIC-FQEVSTJZSA-N 1 2 390.418 3.523 20 30 GHEDLO Cn1cc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@H](Cc3ccccc3)C2)cc1C#N ZINC001207103179 1034094426 /nfs/dbraw/zinc/09/44/26/1034094426.db2.gz NIFOOGZXWDLJJJ-OAQYLSRUSA-N 1 2 394.519 3.561 20 30 GHEDLO Cn1cc(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@H](Cc3ccccc3)C2)cc1C#N ZINC001207103179 1034094441 /nfs/dbraw/zinc/09/44/41/1034094441.db2.gz NIFOOGZXWDLJJJ-OAQYLSRUSA-N 1 2 394.519 3.561 20 30 GHEDLO N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@]23CCN(CCC(F)(F)F)C3=O)c1 ZINC001277487390 1034403602 /nfs/dbraw/zinc/40/36/02/1034403602.db2.gz IQUBXYTXBCHIHE-QGZVFWFLSA-N 1 2 385.817 3.731 20 30 GHEDLO N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@]23CCN(CCC(F)(F)F)C3=O)c1 ZINC001277487390 1034403609 /nfs/dbraw/zinc/40/36/09/1034403609.db2.gz IQUBXYTXBCHIHE-QGZVFWFLSA-N 1 2 385.817 3.731 20 30 GHEDLO C=CCOc1cccc(C[N@@H+]2Cc3ncn(CC4CC4)c3[C@@H](COCC)C2)c1 ZINC001231621635 1034779076 /nfs/dbraw/zinc/77/90/76/1034779076.db2.gz GIVGOSSNEXJLKY-HXUWFJFHSA-N 1 2 381.520 3.994 20 30 GHEDLO C=CCOc1cccc(C[N@H+]2Cc3ncn(CC4CC4)c3[C@@H](COCC)C2)c1 ZINC001231621635 1034779091 /nfs/dbraw/zinc/77/90/91/1034779091.db2.gz GIVGOSSNEXJLKY-HXUWFJFHSA-N 1 2 381.520 3.994 20 30 GHEDLO O=C1C=C2C[N@H+](Cc3ccc4cc(Br)ccc4n3)CC[C@H]2S1 ZINC001232101593 1035096136 /nfs/dbraw/zinc/09/61/36/1035096136.db2.gz KNWPRRHVISXKQJ-MRXNPFEDSA-N 1 2 375.291 3.771 20 30 GHEDLO O=C1C=C2C[N@@H+](Cc3ccc4cc(Br)ccc4n3)CC[C@H]2S1 ZINC001232101593 1035096140 /nfs/dbraw/zinc/09/61/40/1035096140.db2.gz KNWPRRHVISXKQJ-MRXNPFEDSA-N 1 2 375.291 3.771 20 30 GHEDLO C[C@@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[NH2+]CC(F)(F)C1 ZINC001160949119 1035101811 /nfs/dbraw/zinc/10/18/11/1035101811.db2.gz RCYYSNBZPWNFTN-JXFKEZNVSA-N 1 2 383.442 3.893 20 30 GHEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2cc(C)cc(Br)c2OC)C1=O ZINC001276630148 1035232649 /nfs/dbraw/zinc/23/26/49/1035232649.db2.gz ZNFZAXJADQCLNZ-IBGZPJMESA-N 1 2 393.325 3.519 20 30 GHEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(C)cc(Br)c2OC)C1=O ZINC001276630148 1035232655 /nfs/dbraw/zinc/23/26/55/1035232655.db2.gz ZNFZAXJADQCLNZ-IBGZPJMESA-N 1 2 393.325 3.519 20 30 GHEDLO CN1CC[NH+](CCNc2ccc(-c3ccccc3C#C[Si](C)(C)C)cn2)CC1 ZINC001241559546 1035621860 /nfs/dbraw/zinc/62/18/60/1035621860.db2.gz APMUVRRJNYRJKC-UHFFFAOYSA-N 1 2 392.623 3.637 20 30 GHEDLO O=C1C=C2C[N@H+](Cc3ccc4nc(Br)sc4c3)CC[C@@H]2S1 ZINC001248585581 1035972920 /nfs/dbraw/zinc/97/29/20/1035972920.db2.gz YIXAXYCHMUOTOF-LBPRGKRZSA-N 1 2 381.320 3.833 20 30 GHEDLO O=C1C=C2C[N@@H+](Cc3ccc4nc(Br)sc4c3)CC[C@@H]2S1 ZINC001248585581 1035972924 /nfs/dbraw/zinc/97/29/24/1035972924.db2.gz YIXAXYCHMUOTOF-LBPRGKRZSA-N 1 2 381.320 3.833 20 30 GHEDLO N#CC1(c2cccc(-c3cc(F)ccc3C[NH+]3CCOCC3)c2)CCOCC1 ZINC001243101775 1036032992 /nfs/dbraw/zinc/03/29/92/1036032992.db2.gz ZAAXJQLDRKXIKI-UHFFFAOYSA-N 1 2 380.463 3.897 20 30 GHEDLO N#Cc1cnc(-c2ccc(OCC[NH+]3CCOCC3)cc2F)c2sccc21 ZINC001244136568 1036391836 /nfs/dbraw/zinc/39/18/36/1036391836.db2.gz PFBDHVWXXALJBN-UHFFFAOYSA-N 1 2 383.448 3.685 20 30 GHEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)nc2)C1 ZINC001232359371 1038139797 /nfs/dbraw/zinc/13/97/97/1038139797.db2.gz FRXYFDAWBHJGKV-HXUWFJFHSA-N 1 2 381.476 3.537 20 30 GHEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)nc2)C1 ZINC001232359371 1038139804 /nfs/dbraw/zinc/13/98/04/1038139804.db2.gz FRXYFDAWBHJGKV-HXUWFJFHSA-N 1 2 381.476 3.537 20 30 GHEDLO C=CCCCNC(=S)NCc1c[nH+]cn1Cc1ccc(Br)cc1 ZINC001247789223 1038382727 /nfs/dbraw/zinc/38/27/27/1038382727.db2.gz VTQNLPUJWYRSBH-UHFFFAOYSA-N 1 2 393.354 3.624 20 30 GHEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001232608393 1038392048 /nfs/dbraw/zinc/39/20/48/1038392048.db2.gz ZFZQBZZOZFPPGM-PZJWPPBQSA-N 1 2 383.879 3.809 20 30 GHEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001232608393 1038392060 /nfs/dbraw/zinc/39/20/60/1038392060.db2.gz ZFZQBZZOZFPPGM-PZJWPPBQSA-N 1 2 383.879 3.809 20 30 GHEDLO COCC[N@H+](Cc1ccc(Cl)cc1C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001232608294 1038392086 /nfs/dbraw/zinc/39/20/86/1038392086.db2.gz GFINWBFOIKJQJX-SFHVURJKSA-N 1 2 393.915 3.669 20 30 GHEDLO COCC[N@@H+](Cc1ccc(Cl)cc1C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001232608294 1038392097 /nfs/dbraw/zinc/39/20/97/1038392097.db2.gz GFINWBFOIKJQJX-SFHVURJKSA-N 1 2 393.915 3.669 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cnc(Br)cc1C ZINC001277691100 1038412443 /nfs/dbraw/zinc/41/24/43/1038412443.db2.gz TULAYFOYYCUBEW-LJQANCHMSA-N 1 2 392.341 3.686 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cnc(Br)cc1C ZINC001277691100 1038412449 /nfs/dbraw/zinc/41/24/49/1038412449.db2.gz TULAYFOYYCUBEW-LJQANCHMSA-N 1 2 392.341 3.686 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@]2(CCC[N@H+](Cc3cc(C#N)ccc3O)C2)C1 ZINC001232674953 1038473279 /nfs/dbraw/zinc/47/32/79/1038473279.db2.gz HSYONKMGPAUXHJ-QFIPXVFZSA-N 1 2 385.508 3.877 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@]2(CCC[N@@H+](Cc3cc(C#N)ccc3O)C2)C1 ZINC001232674953 1038473335 /nfs/dbraw/zinc/47/33/35/1038473335.db2.gz HSYONKMGPAUXHJ-QFIPXVFZSA-N 1 2 385.508 3.877 20 30 GHEDLO COc1cc(C#N)ccc1OC1CC[NH+](Cc2cc(Br)co2)CC1 ZINC001232857903 1038605413 /nfs/dbraw/zinc/60/54/13/1038605413.db2.gz XPAXUCSLNBGUOL-UHFFFAOYSA-N 1 2 391.265 3.966 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(-c2cccc(F)c2)nc1 ZINC001232886385 1038668589 /nfs/dbraw/zinc/66/85/89/1038668589.db2.gz ICZSEAXJVISJTC-QFIPXVFZSA-N 1 2 392.478 3.923 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(-c2cccc(F)c2)nc1 ZINC001232886385 1038668592 /nfs/dbraw/zinc/66/85/92/1038668592.db2.gz ICZSEAXJVISJTC-QFIPXVFZSA-N 1 2 392.478 3.923 20 30 GHEDLO CCc1nnc(C2CC[NH+](Cc3ccc(Br)c(C#N)c3)CC2)o1 ZINC001232900054 1038696301 /nfs/dbraw/zinc/69/63/01/1038696301.db2.gz YYGXGZFSZOKYKX-UHFFFAOYSA-N 1 2 375.270 3.646 20 30 GHEDLO C=CCOC[C@H]1C[N@H+](Cc2ccc(C3CC3)cc2)Cc2nnn(CC3CC3)c21 ZINC001232982096 1038748511 /nfs/dbraw/zinc/74/85/11/1038748511.db2.gz OTYBOJFXQBWHDE-OAQYLSRUSA-N 1 2 378.520 3.868 20 30 GHEDLO C=CCOC[C@H]1C[N@@H+](Cc2ccc(C3CC3)cc2)Cc2nnn(CC3CC3)c21 ZINC001232982096 1038748514 /nfs/dbraw/zinc/74/85/14/1038748514.db2.gz OTYBOJFXQBWHDE-OAQYLSRUSA-N 1 2 378.520 3.868 20 30 GHEDLO CCCCCCCCCC[C@H](O)C[N@H+]1Cc2nnn(C)c2[C@H](COCC)C1 ZINC001252984094 1039311956 /nfs/dbraw/zinc/31/19/56/1039311956.db2.gz CYMAKMHONQWQOP-OALUTQOASA-N 1 2 380.577 3.643 20 30 GHEDLO CCCCCCCCCC[C@H](O)C[N@@H+]1Cc2nnn(C)c2[C@H](COCC)C1 ZINC001252984094 1039311970 /nfs/dbraw/zinc/31/19/70/1039311970.db2.gz CYMAKMHONQWQOP-OALUTQOASA-N 1 2 380.577 3.643 20 30 GHEDLO C=CCCCCCC[C@@H](O)C[N@@H+]1Cc2nnn(CC3CC3)c2[C@@H](COCC)C1 ZINC001253234834 1039489553 /nfs/dbraw/zinc/48/95/53/1039489553.db2.gz FYJPMYRPUXGKPP-WOJBJXKFSA-N 1 2 390.572 3.511 20 30 GHEDLO C=CCCCCCC[C@@H](O)C[N@H+]1Cc2nnn(CC3CC3)c2[C@@H](COCC)C1 ZINC001253234834 1039489563 /nfs/dbraw/zinc/48/95/63/1039489563.db2.gz FYJPMYRPUXGKPP-WOJBJXKFSA-N 1 2 390.572 3.511 20 30 GHEDLO CCCCCCCCCCCCOCCOC[C@H](O)C[NH+]1CC2(CCO2)C1 ZINC001253613602 1039721537 /nfs/dbraw/zinc/72/15/37/1039721537.db2.gz ABCLICYGSOQJGR-OAQYLSRUSA-N 1 2 385.589 3.776 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CCCN(C(=O)CC(C)C)CC2)cc1OC ZINC001462519861 1070322596 /nfs/dbraw/zinc/32/25/96/1070322596.db2.gz CTRZATISERNORC-UHFFFAOYSA-N 1 2 394.943 3.994 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@H+]2CCCN(C(=O)CC(C)C)CC2)cc1OC ZINC001462519861 1070322613 /nfs/dbraw/zinc/32/26/13/1070322613.db2.gz CTRZATISERNORC-UHFFFAOYSA-N 1 2 394.943 3.994 20 30 GHEDLO C=CCOCc1ncn2c1C[N@H+](Cc1ccc(-n3ccnc3)cc1Cl)CCC2 ZINC001236918894 1041957881 /nfs/dbraw/zinc/95/78/81/1041957881.db2.gz ZIXPJSYCTSTPDC-UHFFFAOYSA-N 1 2 397.910 3.831 20 30 GHEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1ccc(-n3ccnc3)cc1Cl)CCC2 ZINC001236918894 1041957886 /nfs/dbraw/zinc/95/78/86/1041957886.db2.gz ZIXPJSYCTSTPDC-UHFFFAOYSA-N 1 2 397.910 3.831 20 30 GHEDLO C=CCOCc1ncn2c1C[N@H+](Cc1ccc(OC(F)F)c(F)c1)CCC2 ZINC001237354301 1042165788 /nfs/dbraw/zinc/16/57/88/1042165788.db2.gz SYNHQRYOWSPQIK-UHFFFAOYSA-N 1 2 381.398 3.732 20 30 GHEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1ccc(OC(F)F)c(F)c1)CCC2 ZINC001237354301 1042165793 /nfs/dbraw/zinc/16/57/93/1042165793.db2.gz SYNHQRYOWSPQIK-UHFFFAOYSA-N 1 2 381.398 3.732 20 30 GHEDLO C=CCOCc1ncn2c1C[N@H+](Cc1ccccc1NC(=O)C(C)(C)C)CCC2 ZINC001237394202 1042187406 /nfs/dbraw/zinc/18/74/06/1042187406.db2.gz VIEAHTXMIVZWKY-UHFFFAOYSA-N 1 2 396.535 3.976 20 30 GHEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1ccccc1NC(=O)C(C)(C)C)CCC2 ZINC001237394202 1042187410 /nfs/dbraw/zinc/18/74/10/1042187410.db2.gz VIEAHTXMIVZWKY-UHFFFAOYSA-N 1 2 396.535 3.976 20 30 GHEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cccc(Cl)c1C(=O)OCC)C2 ZINC001238046405 1042472064 /nfs/dbraw/zinc/47/20/64/1042472064.db2.gz RASPGXSSOVUDND-DYESRHJHSA-N 1 2 393.911 3.843 20 30 GHEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cccc(Cl)c1C(=O)OCC)C2 ZINC001238046405 1042472067 /nfs/dbraw/zinc/47/20/67/1042472067.db2.gz RASPGXSSOVUDND-DYESRHJHSA-N 1 2 393.911 3.843 20 30 GHEDLO COCCOc1ccc(N2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)cc1 ZINC001238085226 1042486644 /nfs/dbraw/zinc/48/66/44/1042486644.db2.gz YGNLLRYUVQFUAF-UHFFFAOYSA-N 1 2 385.895 3.559 20 30 GHEDLO Cn1cc(C[NH+]2CC3(CN(CCc4ccc(Cl)cc4Cl)C3)C2)cc1C#N ZINC001278216330 1042552012 /nfs/dbraw/zinc/55/20/12/1042552012.db2.gz RAMGSKMPRQNEKH-UHFFFAOYSA-N 1 2 389.330 3.564 20 30 GHEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3ccc(F)c(OC(C)C)c3F)C2)CC1 ZINC001238527807 1042630236 /nfs/dbraw/zinc/63/02/36/1042630236.db2.gz OEPXCDDNXSDULK-UHFFFAOYSA-N 1 2 394.462 3.972 20 30 GHEDLO CCOC(=O)C1(C#N)CC[NH+]([C@H](C)Cc2ccccc2Br)CC1 ZINC001256848397 1043699680 /nfs/dbraw/zinc/69/96/80/1043699680.db2.gz SPNLQLJIBCTUQH-CQSZACIVSA-N 1 2 379.298 3.549 20 30 GHEDLO Cc1nc(COCc2cnc3n2CC[N@H+](C2CCC(C#N)CC2)[C@@H]3C)cs1 ZINC001256966367 1043776006 /nfs/dbraw/zinc/77/60/06/1043776006.db2.gz HEUWXKPBNZAHRL-MXWWQKGMSA-N 1 2 385.537 3.824 20 30 GHEDLO Cc1nc(COCc2cnc3n2CC[N@@H+](C2CCC(C#N)CC2)[C@@H]3C)cs1 ZINC001256966367 1043776015 /nfs/dbraw/zinc/77/60/15/1043776015.db2.gz HEUWXKPBNZAHRL-MXWWQKGMSA-N 1 2 385.537 3.824 20 30 GHEDLO C=C[C@@H]1C[C@]1([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)C)C1)C(=O)OCC ZINC001257182812 1043922742 /nfs/dbraw/zinc/92/27/42/1043922742.db2.gz NNPCLGZZONNIFG-MXTNKPTQSA-N 1 2 380.529 3.508 20 30 GHEDLO C=CCOC(=O)CC[C@H]([NH2+]C1CCC(c2ccccc2)CC1)C(=O)OCC=C ZINC001257994472 1044323265 /nfs/dbraw/zinc/32/32/65/1044323265.db2.gz MPZGLWOAOLNWIE-CBNMVNINSA-N 1 2 385.504 3.910 20 30 GHEDLO C[C@@]1(C#N)CCCN(C(=O)[C@@H](c2cccc(Br)c2)[NH+]2CCCC2)C1 ZINC001295474586 1045029295 /nfs/dbraw/zinc/02/92/95/1045029295.db2.gz DRFQGHRKIJPDBL-MJGOQNOKSA-N 1 2 390.325 3.738 20 30 GHEDLO C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2F)n1Cc1c[nH+]ccc1OC ZINC001300799247 1046166559 /nfs/dbraw/zinc/16/65/59/1046166559.db2.gz YTCZPQGKLUOLFU-JOCHJYFZSA-N 1 2 391.450 3.528 20 30 GHEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@H]2CCC[C@@H]21 ZINC001263302172 1046700653 /nfs/dbraw/zinc/70/06/53/1046700653.db2.gz IRURJYQHDWNYBA-QUCCMNQESA-N 1 2 382.556 3.716 20 30 GHEDLO N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC001263305116 1046703746 /nfs/dbraw/zinc/70/37/46/1046703746.db2.gz RLIJFWMGSFGFHJ-KRWDZBQOSA-N 1 2 385.851 3.880 20 30 GHEDLO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCc3cc[nH+]c(N)c3C2)cc1 ZINC001302093103 1046809781 /nfs/dbraw/zinc/80/97/81/1046809781.db2.gz QVNGXQSSTQZWRA-UHFFFAOYSA-N 1 2 384.439 3.835 20 30 GHEDLO C[C@H](CC#N)N(C)c1nnc(C2CCC2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001303635924 1047460584 /nfs/dbraw/zinc/46/05/84/1047460584.db2.gz JXFJENJIQKHUON-QGZVFWFLSA-N 1 2 393.539 3.718 20 30 GHEDLO CC[C@@H](C)c1nnc(N(C)C[C@H](C)C#N)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001305378704 1048001448 /nfs/dbraw/zinc/00/14/48/1048001448.db2.gz WNLMKFZANZBHMT-QZTJIDSGSA-N 1 2 395.555 3.821 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CC=CCC2)CC1 ZINC001286473470 1048335785 /nfs/dbraw/zinc/33/57/85/1048335785.db2.gz LZWXWJNWTFCWHO-GOSISDBHSA-N 1 2 395.938 3.710 20 30 GHEDLO C=CC1CCN(c2nnc(CC3CCCC3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001286664862 1048430430 /nfs/dbraw/zinc/43/04/30/1048430430.db2.gz KESVEGYYWGEZHA-UHFFFAOYSA-N 1 2 381.524 3.865 20 30 GHEDLO C=CCN(C)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001286719492 1048474194 /nfs/dbraw/zinc/47/41/94/1048474194.db2.gz INZPUQAFRLCMHA-SFHVURJKSA-N 1 2 392.507 3.658 20 30 GHEDLO N#Cc1cccc(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)c1Br ZINC001288267506 1049023551 /nfs/dbraw/zinc/02/35/51/1049023551.db2.gz RJIVFXKAECJNOQ-QGZVFWFLSA-N 1 2 395.260 3.689 20 30 GHEDLO CC(C)(C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCNc1cccc[nH+]1 ZINC001288975283 1049272412 /nfs/dbraw/zinc/27/24/12/1049272412.db2.gz MDNZXDNLZKIKRK-NRFANRHFSA-N 1 2 381.528 3.603 20 30 GHEDLO Cc1nc(N2CC[NH+](CC#Cc3ccc(OC(F)(F)F)cc3)CC2)sc1C ZINC001307647654 1049472892 /nfs/dbraw/zinc/47/28/92/1049472892.db2.gz URAPFUFANAUSSH-UHFFFAOYSA-N 1 2 395.450 3.832 20 30 GHEDLO C#C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C1 ZINC001307878417 1049660467 /nfs/dbraw/zinc/66/04/67/1049660467.db2.gz SVTCHKXYDBSHET-STQMWFEESA-N 1 2 375.444 3.761 20 30 GHEDLO C#C[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C1 ZINC001307878417 1049660471 /nfs/dbraw/zinc/66/04/71/1049660471.db2.gz SVTCHKXYDBSHET-STQMWFEESA-N 1 2 375.444 3.761 20 30 GHEDLO Cc1cn2c([nH+]1)[C@@H](Cn1c(C(C)C)nnc1N(CCC#N)CC1CC1)CCC2 ZINC001290287597 1049791558 /nfs/dbraw/zinc/79/15/58/1049791558.db2.gz PNEKMTAIGRDABM-GOSISDBHSA-N 1 2 381.528 3.614 20 30 GHEDLO Fc1ccc(C#CCN[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)cc1 ZINC001308074304 1049820456 /nfs/dbraw/zinc/82/04/56/1049820456.db2.gz LSFGQUXSUFHBPE-WOJBJXKFSA-N 1 2 376.397 3.830 20 30 GHEDLO Fc1ccc(C#CCN[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)cc1 ZINC001308074304 1049820466 /nfs/dbraw/zinc/82/04/66/1049820466.db2.gz LSFGQUXSUFHBPE-WOJBJXKFSA-N 1 2 376.397 3.830 20 30 GHEDLO COc1ccc(Cl)c(N2CC[NH+](Cc3cc(C#N)ccc3N(C)C)CC2)c1 ZINC001308849030 1050123245 /nfs/dbraw/zinc/12/32/45/1050123245.db2.gz LJSKQYHNSNABAA-UHFFFAOYSA-N 1 2 384.911 3.608 20 30 GHEDLO Cc1[nH+]ccn1-c1c(Cl)cccc1NS(=O)(=O)c1ccc(CC#N)cc1 ZINC001330503423 1051017139 /nfs/dbraw/zinc/01/71/39/1051017139.db2.gz MWIWPIGPNAPIHV-UHFFFAOYSA-N 1 2 386.864 3.701 20 30 GHEDLO C#C[C@H](NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccc(Cl)cc1F ZINC001330715345 1051081236 /nfs/dbraw/zinc/08/12/36/1051081236.db2.gz MHBZLEDNZWGWML-KDOFPFPSSA-N 1 2 388.874 3.551 20 30 GHEDLO Cn1c[nH+]c(CCNC(=O)Nc2ccc(Sc3ccccc3C#N)cc2)c1 ZINC001310747740 1051566167 /nfs/dbraw/zinc/56/61/67/1051566167.db2.gz YDYRIBCVAMFKSA-UHFFFAOYSA-N 1 2 377.473 3.807 20 30 GHEDLO C#C[C@@H](C)NC(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC001312934571 1052915284 /nfs/dbraw/zinc/91/52/84/1052915284.db2.gz OWCCYBDHLSKUIO-UTKZUKDTSA-N 1 2 381.907 3.778 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC2(CC1)OCc1ccccc12 ZINC001342672576 1053291633 /nfs/dbraw/zinc/29/16/33/1053291633.db2.gz HXCUPGLPVFNXCO-HXUWFJFHSA-N 1 2 393.535 3.647 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC2(CC1)OCc1ccccc12 ZINC001342672576 1053291641 /nfs/dbraw/zinc/29/16/41/1053291641.db2.gz HXCUPGLPVFNXCO-HXUWFJFHSA-N 1 2 393.535 3.647 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC[C@@](C)(OC)C1 ZINC001342705863 1053310741 /nfs/dbraw/zinc/31/07/41/1053310741.db2.gz ATGFFUNPBXGBTC-WIYYLYMNSA-N 1 2 386.544 3.692 20 30 GHEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CC[C@H](C)[C@H]1c1ccccc1 ZINC001343420872 1053762044 /nfs/dbraw/zinc/76/20/44/1053762044.db2.gz VWHDNZQTWZVPSS-UWJYYQICSA-N 1 2 376.508 3.766 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC(c2ncc(C)s2)CC1 ZINC001343457500 1053782408 /nfs/dbraw/zinc/78/24/08/1053782408.db2.gz OJMDDTAIJKFEMX-QGZVFWFLSA-N 1 2 386.569 3.770 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC(c2ncc(C)s2)CC1 ZINC001343457500 1053782414 /nfs/dbraw/zinc/78/24/14/1053782414.db2.gz OJMDDTAIJKFEMX-QGZVFWFLSA-N 1 2 386.569 3.770 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N(C)CCc1nccs1 ZINC001343494009 1053809346 /nfs/dbraw/zinc/80/93/46/1053809346.db2.gz CKXNGZPJQKWQBV-QGZVFWFLSA-N 1 2 399.568 3.822 20 30 GHEDLO C=C(C)Cn1c([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1Cc2ccccc2[C@@H]1C ZINC001343780177 1054022936 /nfs/dbraw/zinc/02/29/36/1054022936.db2.gz KPGPYTCXFQNBDT-FBBABVLZSA-N 1 2 393.535 3.861 20 30 GHEDLO C=C(C)Cn1c([C@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1Cc2ccccc2[C@@H]1C ZINC001343780177 1054022948 /nfs/dbraw/zinc/02/29/48/1054022948.db2.gz KPGPYTCXFQNBDT-FBBABVLZSA-N 1 2 393.535 3.861 20 30 GHEDLO N#CCc1ccc(S(=O)(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)cc1 ZINC001343921934 1054118556 /nfs/dbraw/zinc/11/85/56/1054118556.db2.gz DHDCEFIQFXYCDG-UHFFFAOYSA-N 1 2 392.484 3.753 20 30 GHEDLO CCOCCCn1c([C@@H]2CCC[N@@H+]2C)nnc1N(C)[C@H](C)c1cccc(C#N)c1 ZINC001344455360 1054483375 /nfs/dbraw/zinc/48/33/75/1054483375.db2.gz IRIDHWUXCQDREN-XLIONFOSSA-N 1 2 396.539 3.540 20 30 GHEDLO CCOCCCn1c([C@@H]2CCC[N@H+]2C)nnc1N(C)[C@H](C)c1cccc(C#N)c1 ZINC001344455360 1054483387 /nfs/dbraw/zinc/48/33/87/1054483387.db2.gz IRIDHWUXCQDREN-XLIONFOSSA-N 1 2 396.539 3.540 20 30 GHEDLO C#CCN(C)c1nnc(CCCc2ccccc2)n1CCCc1cccc(C)[nH+]1 ZINC001300471887 1056213554 /nfs/dbraw/zinc/21/35/54/1056213554.db2.gz SXCAZVPBAHFVTO-UHFFFAOYSA-N 1 2 387.531 3.859 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCC[C@H]2C)CC1 ZINC001300688217 1056876236 /nfs/dbraw/zinc/87/62/36/1056876236.db2.gz CLEYUCCQULVLKZ-IEBWSBKVSA-N 1 2 397.954 3.790 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(CC)cc3)n2CC2(CCC)CC2)CC1 ZINC001300691202 1056887018 /nfs/dbraw/zinc/88/70/18/1056887018.db2.gz ZRNMOMYZNZJYRU-UHFFFAOYSA-N 1 2 391.563 3.843 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@H](c2cccc(C)c2)C1 ZINC001356379367 1057495400 /nfs/dbraw/zinc/49/54/00/1057495400.db2.gz UVWXZXBOFLMAQW-NRFANRHFSA-N 1 2 392.551 3.693 20 30 GHEDLO CC[NH+](CC)Cc1csc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)n1 ZINC001338615955 1058682726 /nfs/dbraw/zinc/68/27/26/1058682726.db2.gz YSQKYHXUYAOGLV-UHFFFAOYSA-N 1 2 383.477 3.801 20 30 GHEDLO C=CCn1c(CSC(F)(F)F)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001338854603 1058833945 /nfs/dbraw/zinc/83/39/45/1058833945.db2.gz RUXCWPOZWKHUSZ-UHFFFAOYSA-N 1 2 398.458 3.693 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1C[C@H](C)C[C@@H]1c1ccccc1F ZINC001339091355 1058956345 /nfs/dbraw/zinc/95/63/45/1058956345.db2.gz SORJLILUKZNKQV-CRAIPNDOSA-N 1 2 380.471 3.515 20 30 GHEDLO C=CCn1c(-c2sc(C)nc2C)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001339184818 1058997199 /nfs/dbraw/zinc/99/71/99/1058997199.db2.gz TWWNJUBSRICPEI-UHFFFAOYSA-N 1 2 395.536 3.680 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1Cc2cccc(C#N)c2C1 ZINC001339796465 1059477910 /nfs/dbraw/zinc/47/79/10/1059477910.db2.gz OVOHWFYRVWUCGT-HXUWFJFHSA-N 1 2 387.491 3.688 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2Cc2ccccc2)nnc1N1CCC(F)(F)CC1 ZINC001339879888 1059534173 /nfs/dbraw/zinc/53/41/73/1059534173.db2.gz GLXGNBLEJJSHOK-UHFFFAOYSA-N 1 2 398.461 3.535 20 30 GHEDLO C[C@H]1C[C@H](C)N(c2nnc(C3CC[NH+](CCC#N)CC3)n2Cc2ccccc2)C1 ZINC001340661510 1060027744 /nfs/dbraw/zinc/02/77/44/1060027744.db2.gz PYTUMEPRQCYUQP-OALUTQOASA-N 1 2 392.551 3.654 20 30 GHEDLO C#CCC(C)(C)C(=O)N1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC001454601056 1061875895 /nfs/dbraw/zinc/87/58/95/1061875895.db2.gz ZDMRRTPUGMIWQW-UHFFFAOYSA-N 1 2 390.527 3.959 20 30 GHEDLO C#C[C@H]1CC[C@H](NC(=O)[C@H](c2cccc(Br)c2)[NH+]2CCCC2)CC1 ZINC001439014312 1064159273 /nfs/dbraw/zinc/15/92/73/1064159273.db2.gz DFFPNJCOGZFKML-SNRMKQJTSA-N 1 2 389.337 3.894 20 30 GHEDLO N#Cc1cnn2c1[nH]c(C[NH2+]C1(c3c(Cl)cccc3Cl)CCC1)cc2=O ZINC001460049499 1064376025 /nfs/dbraw/zinc/37/60/25/1064376025.db2.gz LUPDJUOXXMARQO-UHFFFAOYSA-N 1 2 388.258 3.782 20 30 GHEDLO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC001466003712 1065952188 /nfs/dbraw/zinc/95/21/88/1065952188.db2.gz HJLDAPWGDTUHBL-OKZBNKHCSA-N 1 2 390.528 3.542 20 30 GHEDLO C#CC[N@@H+](CC(=O)Nc1cccc2nsnc21)[C@H]1CCCc2ccccc21 ZINC001473826550 1067576337 /nfs/dbraw/zinc/57/63/37/1067576337.db2.gz RXCIDJFVPAQVQA-IBGZPJMESA-N 1 2 376.485 3.643 20 30 GHEDLO C#CC[N@H+](CC(=O)Nc1cccc2nsnc21)[C@H]1CCCc2ccccc21 ZINC001473826550 1067576342 /nfs/dbraw/zinc/57/63/42/1067576342.db2.gz RXCIDJFVPAQVQA-IBGZPJMESA-N 1 2 376.485 3.643 20 30 GHEDLO C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1CCCNc1cccc[nH+]1 ZINC001359113048 1067692116 /nfs/dbraw/zinc/69/21/16/1067692116.db2.gz YNYYVOOEAPHDIF-SFHVURJKSA-N 1 2 384.528 3.819 20 30 GHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC001473188878 1073843322 /nfs/dbraw/zinc/84/33/22/1073843322.db2.gz KODIDQBNGWXYPP-IIBYNOLFSA-N 1 2 397.906 3.805 20 30 GHEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1C(=O)NCc1ccc(C)cc1 ZINC001473434009 1073961738 /nfs/dbraw/zinc/96/17/38/1073961738.db2.gz ISJNJOVYQRPQKT-HXUWFJFHSA-N 1 2 391.515 3.904 20 30 GHEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1C(=O)NCc1ccc(C)cc1 ZINC001473434009 1073961739 /nfs/dbraw/zinc/96/17/39/1073961739.db2.gz ISJNJOVYQRPQKT-HXUWFJFHSA-N 1 2 391.515 3.904 20 30 GHEDLO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1Br ZINC001473451651 1073969698 /nfs/dbraw/zinc/96/96/98/1073969698.db2.gz MOTOYGNQFFQDAM-INIZCTEOSA-N 1 2 394.313 3.764 20 30 GHEDLO CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Br ZINC001473451651 1073969702 /nfs/dbraw/zinc/96/97/02/1073969702.db2.gz MOTOYGNQFFQDAM-INIZCTEOSA-N 1 2 394.313 3.764 20 30 GHEDLO Cc1ccc(C[N@H+]2C[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)cc1C#N ZINC001473803284 1074150538 /nfs/dbraw/zinc/15/05/38/1074150538.db2.gz BGMRGBHXIBBZNJ-HZPDHXFCSA-N 1 2 383.414 3.754 20 30 GHEDLO Cc1ccc(C[N@@H+]2C[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)cc1C#N ZINC001473803284 1074150542 /nfs/dbraw/zinc/15/05/42/1074150542.db2.gz BGMRGBHXIBBZNJ-HZPDHXFCSA-N 1 2 383.414 3.754 20 30 GHEDLO CC[C@H](C)c1nnc(N(C)C[C@H](C)C#N)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001495085509 1079380989 /nfs/dbraw/zinc/38/09/89/1079380989.db2.gz BFMZTZDEBXBZDD-SJORKVTESA-N 1 2 377.496 3.621 20 30 GHEDLO Cc1cc(C#N)c(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc1C ZINC001164673128 719504019 /nfs/dbraw/zinc/50/40/19/719504019.db2.gz OCHSXQHNWUHQAE-UHFFFAOYSA-N 1 2 394.494 3.581 20 30 GHEDLO Cc1cc(C#N)c(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc1C ZINC001164673128 719504026 /nfs/dbraw/zinc/50/40/26/719504026.db2.gz OCHSXQHNWUHQAE-UHFFFAOYSA-N 1 2 394.494 3.581 20 30 GHEDLO Cc1csc(NC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c1C#N ZINC000581466953 837529516 /nfs/dbraw/zinc/52/95/16/837529516.db2.gz HGBZKVVWWKLWHB-UHFFFAOYSA-N 1 2 384.509 3.504 20 30 GHEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000607755193 835069915 /nfs/dbraw/zinc/06/99/15/835069915.db2.gz OGJMSDGNPSNKGH-ODOSVJCGSA-N 1 2 385.479 3.756 20 30 GHEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000607755193 835069923 /nfs/dbraw/zinc/06/99/23/835069923.db2.gz OGJMSDGNPSNKGH-ODOSVJCGSA-N 1 2 385.479 3.756 20 30 GHEDLO C[NH+](C)Cc1cc(NS(=O)(=O)c2cccc(Cl)c2C#N)ccc1Cl ZINC000500798076 844027554 /nfs/dbraw/zinc/02/75/54/844027554.db2.gz VNBPIMYHNFPBTG-UHFFFAOYSA-N 1 2 384.288 3.727 20 30 GHEDLO C=CCn1c(SCCC[NH+]2CCN(C(C)C)CC2)nnc1-c1ccccc1 ZINC000188186301 835849581 /nfs/dbraw/zinc/84/95/81/835849581.db2.gz NKYSNTMNCGCKED-UHFFFAOYSA-N 1 2 385.581 3.639 20 30 GHEDLO N#CCCn1ncc(C(=O)NCc2ccccc2-n2cc[nH+]c2)c1-c1ccccc1 ZINC000430279568 835919391 /nfs/dbraw/zinc/91/93/91/835919391.db2.gz UONMHBTZXBHDCJ-UHFFFAOYSA-N 1 2 396.454 3.579 20 30 GHEDLO N#CCCCOc1ccc[nH+]c1NCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000162258322 836338302 /nfs/dbraw/zinc/33/83/02/836338302.db2.gz MLXLGJRUHRHYRO-UHFFFAOYSA-N 1 2 386.818 3.749 20 30 GHEDLO Cn1cc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000179936506 836407525 /nfs/dbraw/zinc/40/75/25/836407525.db2.gz DPIWKKYWLVGYRJ-OAQYLSRUSA-N 1 2 376.435 3.671 20 30 GHEDLO Cn1cc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000179936506 836407531 /nfs/dbraw/zinc/40/75/31/836407531.db2.gz DPIWKKYWLVGYRJ-OAQYLSRUSA-N 1 2 376.435 3.671 20 30 GHEDLO COC1(C(F)(F)F)CC[NH+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000419349732 844206884 /nfs/dbraw/zinc/20/68/84/844206884.db2.gz MYJVSBYAOVLLRM-LLVKDONJSA-N 1 2 389.805 3.582 20 30 GHEDLO CCOc1ccc(-c2noc(C[N@H+](C)CCOCc3ccc(C#N)cc3)n2)cc1 ZINC000579998156 837194894 /nfs/dbraw/zinc/19/48/94/837194894.db2.gz OQZUJLOWOPJGBI-UHFFFAOYSA-N 1 2 392.459 3.656 20 30 GHEDLO CCOc1ccc(-c2noc(C[N@@H+](C)CCOCc3ccc(C#N)cc3)n2)cc1 ZINC000579998156 837194899 /nfs/dbraw/zinc/19/48/99/837194899.db2.gz OQZUJLOWOPJGBI-UHFFFAOYSA-N 1 2 392.459 3.656 20 30 GHEDLO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000658866934 837321443 /nfs/dbraw/zinc/32/14/43/837321443.db2.gz MTUFDMXGLPUAGQ-KDURUIRLSA-N 1 2 390.487 3.535 20 30 GHEDLO CC(=O)c1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1Cl ZINC000541178495 838065454 /nfs/dbraw/zinc/06/54/54/838065454.db2.gz XLIMRHFNGDJLBG-UHFFFAOYSA-N 1 2 396.878 3.764 20 30 GHEDLO CCOc1ccc([C@H]2CCC[N@@H+]2CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000128409398 838406875 /nfs/dbraw/zinc/40/68/75/838406875.db2.gz FJLLGBKGKQTTSJ-OAQYLSRUSA-N 1 2 384.501 3.568 20 30 GHEDLO CCOc1ccc([C@H]2CCC[N@H+]2CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000128409398 838406877 /nfs/dbraw/zinc/40/68/77/838406877.db2.gz FJLLGBKGKQTTSJ-OAQYLSRUSA-N 1 2 384.501 3.568 20 30 GHEDLO COc1c(C)c[nH+]c(CNC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)c1C ZINC000728274870 838475388 /nfs/dbraw/zinc/47/53/88/838475388.db2.gz YSVZFXNSUWMJCL-UHFFFAOYSA-N 1 2 388.471 3.916 20 30 GHEDLO N#CCn1c(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cc2ccccc21 ZINC000609330983 838477038 /nfs/dbraw/zinc/47/70/38/838477038.db2.gz ITNJVEIDBMFSHW-UHFFFAOYSA-N 1 2 387.487 3.870 20 30 GHEDLO CC(C)N(C(=O)CO[NH+]=C(N)c1ccc(Br)cc1)c1ccccc1 ZINC000782949560 838502509 /nfs/dbraw/zinc/50/25/09/838502509.db2.gz WRSTXHFSBHZBLR-UHFFFAOYSA-N 1 2 390.281 3.528 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)N2CCC(C)(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000378599612 839404532 /nfs/dbraw/zinc/40/45/32/839404532.db2.gz XGJRJNRDYPFPPW-IAGOWNOFSA-N 1 2 378.879 3.560 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)N2CCC(C)(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000378599612 839404534 /nfs/dbraw/zinc/40/45/34/839404534.db2.gz XGJRJNRDYPFPPW-IAGOWNOFSA-N 1 2 378.879 3.560 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)N2CCC(C)(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000378599611 839404650 /nfs/dbraw/zinc/40/46/50/839404650.db2.gz XGJRJNRDYPFPPW-DLBZAZTESA-N 1 2 378.879 3.560 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)N2CCC(C)(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000378599611 839404656 /nfs/dbraw/zinc/40/46/56/839404656.db2.gz XGJRJNRDYPFPPW-DLBZAZTESA-N 1 2 378.879 3.560 20 30 GHEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2cc3ccccc3n2CC#N)CC1 ZINC000610490228 840960221 /nfs/dbraw/zinc/96/02/21/840960221.db2.gz ZZGYKHCGAMIXMJ-QGZVFWFLSA-N 1 2 390.462 3.823 20 30 GHEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000468872631 841215164 /nfs/dbraw/zinc/21/51/64/841215164.db2.gz HALXCKSQUOUQBI-MRXNPFEDSA-N 1 2 382.357 3.588 20 30 GHEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000468872631 841215175 /nfs/dbraw/zinc/21/51/75/841215175.db2.gz HALXCKSQUOUQBI-MRXNPFEDSA-N 1 2 382.357 3.588 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000548164683 841288176 /nfs/dbraw/zinc/28/81/76/841288176.db2.gz KFJRKOJKPHYGRC-NRFANRHFSA-N 1 2 381.863 3.672 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000548164683 841288186 /nfs/dbraw/zinc/28/81/86/841288186.db2.gz KFJRKOJKPHYGRC-NRFANRHFSA-N 1 2 381.863 3.672 20 30 GHEDLO N#CCc1cccc2c1CC[N@@H+](Cc1cn3ccc(Br)cc3n1)C2 ZINC000600212713 861257414 /nfs/dbraw/zinc/25/74/14/861257414.db2.gz HFUBRIRSZQJBOU-UHFFFAOYSA-N 1 2 381.277 3.721 20 30 GHEDLO N#CCc1cccc2c1CC[N@H+](Cc1cn3ccc(Br)cc3n1)C2 ZINC000600212713 861257420 /nfs/dbraw/zinc/25/74/20/861257420.db2.gz HFUBRIRSZQJBOU-UHFFFAOYSA-N 1 2 381.277 3.721 20 30 GHEDLO CC(C)(C)c1nc(=NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)s[nH]1 ZINC000329315431 861278779 /nfs/dbraw/zinc/27/87/79/861278779.db2.gz DTDBWPORHNIOGF-UHFFFAOYSA-N 1 2 393.582 3.557 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[NH2+][C@H](CC)c1nnc2n1CCCCC2 ZINC000661936135 842363672 /nfs/dbraw/zinc/36/36/72/842363672.db2.gz CLPHURLHWNJQIF-MRXNPFEDSA-N 1 2 399.564 3.962 20 30 GHEDLO CC(C)c1nc([C@@H]2CCC[N@H+](CC(=O)N[C@H]3CCOc4ccccc43)C2)no1 ZINC000328837006 842413950 /nfs/dbraw/zinc/41/39/50/842413950.db2.gz NAWJLEIGXCKWNE-WBVHZDCISA-N 1 2 384.480 3.853 20 30 GHEDLO CC(C)c1nc([C@@H]2CCC[N@@H+](CC(=O)N[C@H]3CCOc4ccccc43)C2)no1 ZINC000328837006 842413955 /nfs/dbraw/zinc/41/39/55/842413955.db2.gz NAWJLEIGXCKWNE-WBVHZDCISA-N 1 2 384.480 3.853 20 30 GHEDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CCCN(c2ccccc2)CC1 ZINC000328869350 842722950 /nfs/dbraw/zinc/72/29/50/842722950.db2.gz PDUAAHLQOHVTMY-UHFFFAOYSA-N 1 2 393.535 3.698 20 30 GHEDLO COc1cccc([C@@H]2C[N@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)CCO2)c1 ZINC000120337773 842904621 /nfs/dbraw/zinc/90/46/21/842904621.db2.gz ZVIXLSHYSZPAEJ-FQEVSTJZSA-N 1 2 399.878 3.622 20 30 GHEDLO COc1cccc([C@@H]2C[N@@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)CCO2)c1 ZINC000120337773 842904630 /nfs/dbraw/zinc/90/46/30/842904630.db2.gz ZVIXLSHYSZPAEJ-FQEVSTJZSA-N 1 2 399.878 3.622 20 30 GHEDLO C=C(C)Cn1c(N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)nnc1C(C)(C)C ZINC000549654595 842942910 /nfs/dbraw/zinc/94/29/10/842942910.db2.gz VIIGGOMZQXCGQP-UHFFFAOYSA-N 1 2 397.571 3.700 20 30 GHEDLO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)Cc1nc2c(s1)CCCC2 ZINC000279380615 843031085 /nfs/dbraw/zinc/03/10/85/843031085.db2.gz KEUYTCADXCOIBY-UHFFFAOYSA-N 1 2 392.532 3.826 20 30 GHEDLO C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)Cc1nc2c(s1)CCCC2 ZINC000279380615 843031099 /nfs/dbraw/zinc/03/10/99/843031099.db2.gz KEUYTCADXCOIBY-UHFFFAOYSA-N 1 2 392.532 3.826 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000512214324 843103990 /nfs/dbraw/zinc/10/39/90/843103990.db2.gz RRECVKIEISOFHQ-CYBMUJFWSA-N 1 2 380.847 3.970 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000512214324 843103997 /nfs/dbraw/zinc/10/39/97/843103997.db2.gz RRECVKIEISOFHQ-CYBMUJFWSA-N 1 2 380.847 3.970 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000512224221 843150467 /nfs/dbraw/zinc/15/04/67/843150467.db2.gz AGCYERGQNCSGBX-LPHOPBHVSA-N 1 2 388.533 3.964 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000512224221 843150475 /nfs/dbraw/zinc/15/04/75/843150475.db2.gz AGCYERGQNCSGBX-LPHOPBHVSA-N 1 2 388.533 3.964 20 30 GHEDLO COc1ccc(C(=O)CC[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)cc1 ZINC000510759725 843414258 /nfs/dbraw/zinc/41/42/58/843414258.db2.gz AKFKWQWNHXUDAQ-NRFANRHFSA-N 1 2 397.906 3.804 20 30 GHEDLO Cc1ccc(NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)cc1C ZINC000512823565 843807127 /nfs/dbraw/zinc/80/71/27/843807127.db2.gz LJLHWEFUKYYGNH-UHFFFAOYSA-N 1 2 381.451 3.796 20 30 GHEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCc2sc(Br)cc2C1 ZINC000610928670 844861481 /nfs/dbraw/zinc/86/14/81/844861481.db2.gz XKZSHYNINKABPE-UHFFFAOYSA-N 1 2 396.335 3.831 20 30 GHEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCc2sc(Br)cc2C1 ZINC000610928670 844861487 /nfs/dbraw/zinc/86/14/87/844861487.db2.gz XKZSHYNINKABPE-UHFFFAOYSA-N 1 2 396.335 3.831 20 30 GHEDLO Cc1cn2cc(NC(=O)N[C@@H]3c4ccccc4CC34CCOCC4)ccc2[nH+]1 ZINC000329515582 861571734 /nfs/dbraw/zinc/57/17/34/861571734.db2.gz MJMXBGPNECFKTP-HXUWFJFHSA-N 1 2 376.460 3.872 20 30 GHEDLO COCC[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1cccs1 ZINC000611563344 845562542 /nfs/dbraw/zinc/56/25/42/845562542.db2.gz DLFJCEGXPWKYIX-UHFFFAOYSA-N 1 2 391.924 3.797 20 30 GHEDLO COCC[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1cccs1 ZINC000611563344 845562551 /nfs/dbraw/zinc/56/25/51/845562551.db2.gz DLFJCEGXPWKYIX-UHFFFAOYSA-N 1 2 391.924 3.797 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC=C(c3ccco3)C2)cc1 ZINC000511072673 846292093 /nfs/dbraw/zinc/29/20/93/846292093.db2.gz GTMROQRXICJDDV-UHFFFAOYSA-N 1 2 379.460 3.714 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC=C(c3ccco3)C2)cc1 ZINC000511072673 846292103 /nfs/dbraw/zinc/29/21/03/846292103.db2.gz GTMROQRXICJDDV-UHFFFAOYSA-N 1 2 379.460 3.714 20 30 GHEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000280732390 846514431 /nfs/dbraw/zinc/51/44/31/846514431.db2.gz RDELJGDGXJKSLN-IIBYNOLFSA-N 1 2 378.476 3.705 20 30 GHEDLO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)cc1 ZINC000367086899 846599205 /nfs/dbraw/zinc/59/92/05/846599205.db2.gz VPYVHMYLWRUMOA-QFIPXVFZSA-N 1 2 398.466 3.841 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCc2ccc(C#N)s2)C[C@H](C)O1 ZINC000421048197 847663215 /nfs/dbraw/zinc/66/32/15/847663215.db2.gz TZKDWGSBNQRZAD-GASCZTMLSA-N 1 2 384.505 3.551 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCc2ccc(C#N)s2)C[C@H](C)O1 ZINC000421048197 847663229 /nfs/dbraw/zinc/66/32/29/847663229.db2.gz TZKDWGSBNQRZAD-GASCZTMLSA-N 1 2 384.505 3.551 20 30 GHEDLO C=CCn1c(=S)n(C[N@@H+]2CCC[C@H]2C2CC2)nc1[C@@H]1COc2ccccc2O1 ZINC000728563393 849656546 /nfs/dbraw/zinc/65/65/46/849656546.db2.gz TWYZPIGBDLLCOG-LPHOPBHVSA-N 1 2 398.532 3.944 20 30 GHEDLO C=CCn1c(=S)n(C[N@H+]2CCC[C@H]2C2CC2)nc1[C@@H]1COc2ccccc2O1 ZINC000728563393 849656548 /nfs/dbraw/zinc/65/65/48/849656548.db2.gz TWYZPIGBDLLCOG-LPHOPBHVSA-N 1 2 398.532 3.944 20 30 GHEDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000329686834 862057181 /nfs/dbraw/zinc/05/71/81/862057181.db2.gz BGDFZIXMAGDDJK-QFIPXVFZSA-N 1 2 393.491 3.874 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCSc3ccccc3F)CC2)cc1 ZINC000017843815 850300655 /nfs/dbraw/zinc/30/06/55/850300655.db2.gz RXJRFJYWPWXOSA-UHFFFAOYSA-N 1 2 383.492 3.524 20 30 GHEDLO CC(C)Oc1ccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1C#N ZINC000435564646 850648523 /nfs/dbraw/zinc/64/85/23/850648523.db2.gz QGULDVPBOHMAGU-UHFFFAOYSA-N 1 2 393.422 3.992 20 30 GHEDLO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000909269243 850672723 /nfs/dbraw/zinc/67/27/23/850672723.db2.gz AUUIYDJLQNAVED-UHFFFAOYSA-N 1 2 389.507 3.701 20 30 GHEDLO N#Cc1csc(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 ZINC000506807461 850981011 /nfs/dbraw/zinc/98/10/11/850981011.db2.gz VGGOGFXHRHBDRJ-UHFFFAOYSA-N 1 2 396.394 3.869 20 30 GHEDLO CCCCN(C)c1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000519511547 851166887 /nfs/dbraw/zinc/16/68/87/851166887.db2.gz ICAKAPXMZWZBPC-UHFFFAOYSA-N 1 2 390.531 3.753 20 30 GHEDLO Cc1cc(F)ccc1C1CC[NH+](CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000428722976 851655674 /nfs/dbraw/zinc/65/56/74/851655674.db2.gz YPIWNMKBFDVMET-UHFFFAOYSA-N 1 2 386.492 3.659 20 30 GHEDLO CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000505828853 851964483 /nfs/dbraw/zinc/96/44/83/851964483.db2.gz YPHFNCNGTIRSDV-FGZHOGPDSA-N 1 2 391.515 3.566 20 30 GHEDLO CC(C)(C)c1ccc([C@@H](C#N)NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000505828853 851964492 /nfs/dbraw/zinc/96/44/92/851964492.db2.gz YPHFNCNGTIRSDV-FGZHOGPDSA-N 1 2 391.515 3.566 20 30 GHEDLO Cc1cc(N2CCN(C(=O)Nc3ccc(C#N)cc3Cl)CC2)nc(C(C)C)[nH+]1 ZINC000426166228 852881985 /nfs/dbraw/zinc/88/19/85/852881985.db2.gz NQHJNABURXWJBS-UHFFFAOYSA-N 1 2 398.898 3.788 20 30 GHEDLO Oc1ccc(Br)cc1/C=N/C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000912961541 852920705 /nfs/dbraw/zinc/92/07/05/852920705.db2.gz BKIZTNIIRIQUNM-KOMLCTQHSA-N 1 2 389.293 3.647 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1Cl ZINC000490820954 853291501 /nfs/dbraw/zinc/29/15/01/853291501.db2.gz OALPUJHGFRBPAK-UHFFFAOYSA-N 1 2 384.823 3.723 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1Cl ZINC000490820954 853291510 /nfs/dbraw/zinc/29/15/10/853291510.db2.gz OALPUJHGFRBPAK-UHFFFAOYSA-N 1 2 384.823 3.723 20 30 GHEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@H]2Cc2c(F)cccc2Cl)c1 ZINC000519904028 853614134 /nfs/dbraw/zinc/61/41/34/853614134.db2.gz OIEUVZLAYVGHFS-KRWDZBQOSA-N 1 2 385.870 3.674 20 30 GHEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@H]2Cc2c(F)cccc2Cl)c1 ZINC000519904028 853614141 /nfs/dbraw/zinc/61/41/41/853614141.db2.gz OIEUVZLAYVGHFS-KRWDZBQOSA-N 1 2 385.870 3.674 20 30 GHEDLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)CO[C@@H]3CCCC[C@@H]3C)c2)CC1 ZINC000329997021 862491682 /nfs/dbraw/zinc/49/16/82/862491682.db2.gz PVCHXTMYSGXMDA-LAUBAEHRSA-N 1 2 387.524 3.534 20 30 GHEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]2c2cccc(Br)c2)cc1 ZINC000520168921 853921985 /nfs/dbraw/zinc/92/19/85/853921985.db2.gz HMDPCAMDRGWKKK-LJQANCHMSA-N 1 2 398.304 3.774 20 30 GHEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]2c2cccc(Br)c2)cc1 ZINC000520168921 853921990 /nfs/dbraw/zinc/92/19/90/853921990.db2.gz HMDPCAMDRGWKKK-LJQANCHMSA-N 1 2 398.304 3.774 20 30 GHEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N[C@H]1CCOc2ccccc21 ZINC000328692871 854511216 /nfs/dbraw/zinc/51/12/16/854511216.db2.gz JHYPVEAWTHVCBC-AOIWGVFYSA-N 1 2 378.476 3.521 20 30 GHEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N[C@H]1CCOc2ccccc21 ZINC000328692871 854511221 /nfs/dbraw/zinc/51/12/21/854511221.db2.gz JHYPVEAWTHVCBC-AOIWGVFYSA-N 1 2 378.476 3.521 20 30 GHEDLO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1 ZINC000330125322 862595716 /nfs/dbraw/zinc/59/57/16/862595716.db2.gz LVKPYSPQADMYMB-SIFCLUCFSA-N 1 2 375.469 3.541 20 30 GHEDLO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1 ZINC000330125322 862595724 /nfs/dbraw/zinc/59/57/24/862595724.db2.gz LVKPYSPQADMYMB-SIFCLUCFSA-N 1 2 375.469 3.541 20 30 GHEDLO C[C@H]1CCN(C(=O)Nc2cnn(-c3ccc(Cl)cc3)c2)C[C@H]1n1cc[nH+]c1 ZINC000330147299 862614749 /nfs/dbraw/zinc/61/47/49/862614749.db2.gz INHUXBVUBXPMQU-KBXCAEBGSA-N 1 2 384.871 3.851 20 30 GHEDLO C[C@H]1CCN(C([O-])=[NH+]c2cnn(-c3ccc(Cl)cc3)c2)C[C@H]1n1cc[nH+]c1 ZINC000330147299 862614753 /nfs/dbraw/zinc/61/47/53/862614753.db2.gz INHUXBVUBXPMQU-KBXCAEBGSA-N 1 2 384.871 3.851 20 30 GHEDLO Cc1cncc(C[NH+]2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)c1 ZINC000189982640 855254060 /nfs/dbraw/zinc/25/40/60/855254060.db2.gz MAYVLVFPRALSCV-LJQANCHMSA-N 1 2 385.309 3.535 20 30 GHEDLO CC(C)C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1ccc(C#N)nc1 ZINC000590464660 855412502 /nfs/dbraw/zinc/41/25/02/855412502.db2.gz WWDIFHYWPVUAEN-NRFANRHFSA-N 1 2 396.922 3.979 20 30 GHEDLO CC(C)C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1ccc(C#N)nc1 ZINC000590464660 855412503 /nfs/dbraw/zinc/41/25/03/855412503.db2.gz WWDIFHYWPVUAEN-NRFANRHFSA-N 1 2 396.922 3.979 20 30 GHEDLO CC1(C(=O)Nc2c[nH+]c3n2CCCC3)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000520510553 855553796 /nfs/dbraw/zinc/55/37/96/855553796.db2.gz ILDDTPNJPAZJTA-UHFFFAOYSA-N 1 2 397.910 3.990 20 30 GHEDLO COc1ccc(Br)c([C@@H](CO)[N@H+](C)Cc2ccc(C#N)cc2C)c1 ZINC000590755839 855565101 /nfs/dbraw/zinc/56/51/01/855565101.db2.gz DJBYEEBHCGYVLE-LJQANCHMSA-N 1 2 389.293 3.803 20 30 GHEDLO COc1ccc(Br)c([C@@H](CO)[N@@H+](C)Cc2ccc(C#N)cc2C)c1 ZINC000590755839 855565105 /nfs/dbraw/zinc/56/51/05/855565105.db2.gz DJBYEEBHCGYVLE-LJQANCHMSA-N 1 2 389.293 3.803 20 30 GHEDLO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000554222179 855849142 /nfs/dbraw/zinc/84/91/42/855849142.db2.gz FQQYTSBOWGHRES-GOEBONIOSA-N 1 2 392.341 3.838 20 30 GHEDLO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000554222179 855849150 /nfs/dbraw/zinc/84/91/50/855849150.db2.gz FQQYTSBOWGHRES-GOEBONIOSA-N 1 2 392.341 3.838 20 30 GHEDLO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000158012838 862781622 /nfs/dbraw/zinc/78/16/22/862781622.db2.gz WGXIVBPTJLBUOK-TZIWHRDSSA-N 1 2 380.513 3.991 20 30 GHEDLO CC(C)Cc1ccc(C(=O)C2CC[NH+](CC(=O)N[C@@](C)(C#N)C3CC3)CC2)cc1 ZINC000046087243 856446560 /nfs/dbraw/zinc/44/65/60/856446560.db2.gz DIUDAMMCUXHPGH-DEOSSOPVSA-N 1 2 395.547 3.588 20 30 GHEDLO N#Cc1ccc(C(=O)N(CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)nc1 ZINC000110869357 856691749 /nfs/dbraw/zinc/69/17/49/856691749.db2.gz ALSKOKUGFBUFHC-UHFFFAOYSA-N 1 2 397.841 3.675 20 30 GHEDLO N#CCCCOc1ccc[nH+]c1NCc1cc2c(cc1OC(F)F)OCO2 ZINC000466619877 862836220 /nfs/dbraw/zinc/83/62/20/862836220.db2.gz RSELURXWKLEPBF-UHFFFAOYSA-N 1 2 377.347 3.706 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)cs2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245599657 856992185 /nfs/dbraw/zinc/99/21/85/856992185.db2.gz OJPFVGZAICIIQB-DOTOQJQBSA-N 1 2 377.872 3.978 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)c2cc(C#N)cs2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245599657 856992192 /nfs/dbraw/zinc/99/21/92/856992192.db2.gz OJPFVGZAICIIQB-DOTOQJQBSA-N 1 2 377.872 3.978 20 30 GHEDLO C=CC[N@@H+](Cc1ncc(CSC)s1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000508353151 857212749 /nfs/dbraw/zinc/21/27/49/857212749.db2.gz AHDWJTCRRFPRFP-AWEZNQCLSA-N 1 2 386.550 3.731 20 30 GHEDLO C=CC[N@H+](Cc1ncc(CSC)s1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000508353151 857212755 /nfs/dbraw/zinc/21/27/55/857212755.db2.gz AHDWJTCRRFPRFP-AWEZNQCLSA-N 1 2 386.550 3.731 20 30 GHEDLO C[C@H]([NH2+][C@@H](Cc1ccccc1)c1ncco1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000594053389 857855019 /nfs/dbraw/zinc/85/50/19/857855019.db2.gz AGPKDDRUKMUUBE-CYMONXJESA-N 1 2 394.519 3.867 20 30 GHEDLO C=C(C)COc1cccc(NC(=O)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000067320060 858525549 /nfs/dbraw/zinc/52/55/49/858525549.db2.gz SRQIFHYRSRKDRC-UHFFFAOYSA-N 1 2 395.503 3.795 20 30 GHEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000595716308 858655846 /nfs/dbraw/zinc/65/58/46/858655846.db2.gz YJOAKFUMPDTXJY-YCRPNKLZSA-N 1 2 382.533 3.611 20 30 GHEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000595716308 858655848 /nfs/dbraw/zinc/65/58/48/858655848.db2.gz YJOAKFUMPDTXJY-YCRPNKLZSA-N 1 2 382.533 3.611 20 30 GHEDLO Cn1cc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)c(-c2cccs2)n1 ZINC000183377060 858731769 /nfs/dbraw/zinc/73/17/69/858731769.db2.gz BAXNFRHAORKJOQ-IBGZPJMESA-N 1 2 377.517 3.531 20 30 GHEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@@H](Oc3ccccc3Cl)C2)CCCCC1 ZINC000443645664 859161394 /nfs/dbraw/zinc/16/13/94/859161394.db2.gz BQKQHERGDJJASR-MRXNPFEDSA-N 1 2 375.900 3.526 20 30 GHEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H](Oc3ccccc3Cl)C2)CCCCC1 ZINC000443645664 859161402 /nfs/dbraw/zinc/16/14/02/859161402.db2.gz BQKQHERGDJJASR-MRXNPFEDSA-N 1 2 375.900 3.526 20 30 GHEDLO N#Cc1ccsc1NC(=O)C[N@@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000068831346 859218476 /nfs/dbraw/zinc/21/84/76/859218476.db2.gz WERUFBZRKSSIQV-UHFFFAOYSA-N 1 2 398.315 3.750 20 30 GHEDLO N#Cc1ccsc1NC(=O)C[N@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000068831346 859218488 /nfs/dbraw/zinc/21/84/88/859218488.db2.gz WERUFBZRKSSIQV-UHFFFAOYSA-N 1 2 398.315 3.750 20 30 GHEDLO COc1cc(C(=O)N2CC[NH+](Cc3ccc(C4(C#N)CC4)cc3)CC2)ccc1C ZINC000596996994 859236947 /nfs/dbraw/zinc/23/69/47/859236947.db2.gz NUSLXMOUYRHVGG-UHFFFAOYSA-N 1 2 389.499 3.517 20 30 GHEDLO COc1ccc(CC(N)=[NH+]OCC(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000060455352 859295191 /nfs/dbraw/zinc/29/51/91/859295191.db2.gz XRSUPILJUFNRKW-UHFFFAOYSA-N 1 2 389.455 3.832 20 30 GHEDLO C[N@H+](CC(=O)Nc1ccccc1Br)Cc1ccc(C#N)c(F)c1 ZINC000483532208 859444284 /nfs/dbraw/zinc/44/42/84/859444284.db2.gz NRIDSBWGVITBKU-UHFFFAOYSA-N 1 2 376.229 3.530 20 30 GHEDLO C[N@@H+](CC(=O)Nc1ccccc1Br)Cc1ccc(C#N)c(F)c1 ZINC000483532208 859444287 /nfs/dbraw/zinc/44/42/87/859444287.db2.gz NRIDSBWGVITBKU-UHFFFAOYSA-N 1 2 376.229 3.530 20 30 GHEDLO N#CCc1ccc(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000611142958 859619537 /nfs/dbraw/zinc/61/95/37/859619537.db2.gz NYPACVKVOSBMPI-UHFFFAOYSA-N 1 2 387.405 3.729 20 30 GHEDLO N#Cc1ccc2nc(N3CC[NH+]([C@@H](CO)c4ccc(Cl)cc4)CC3)ccc2c1 ZINC000611305380 859687943 /nfs/dbraw/zinc/68/79/43/859687943.db2.gz ORIUTKCONMMKHL-NRFANRHFSA-N 1 2 392.890 3.615 20 30 GHEDLO CC(C)(C#N)c1ccc(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)cc1 ZINC000597640257 859701522 /nfs/dbraw/zinc/70/15/22/859701522.db2.gz JQUFBDNVUDRJPU-UHFFFAOYSA-N 1 2 382.533 3.722 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C[N@H+](CCCO)[C@@H]2CCc3ccccc32)c1C#N ZINC000611348359 859722642 /nfs/dbraw/zinc/72/26/42/859722642.db2.gz WAQJYRCFVGAADR-HSZRJFAPSA-N 1 2 386.499 3.924 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](CCCO)[C@@H]2CCc3ccccc32)c1C#N ZINC000611348359 859722649 /nfs/dbraw/zinc/72/26/49/859722649.db2.gz WAQJYRCFVGAADR-HSZRJFAPSA-N 1 2 386.499 3.924 20 30 GHEDLO N#C[C@H](NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000602095810 859771217 /nfs/dbraw/zinc/77/12/17/859771217.db2.gz GGWNSNWQFZDJFF-STQMWFEESA-N 1 2 390.287 3.776 20 30 GHEDLO C[C@@H]1CN(Cc2ccc(C#N)c(F)c2)[C@@H](C)C[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000484068498 859785574 /nfs/dbraw/zinc/78/55/74/859785574.db2.gz JJOQTJXSTUYLHU-IYBDPMFKSA-N 1 2 380.442 3.803 20 30 GHEDLO C[C@@H]1CN(Cc2ccc(C#N)c(F)c2)[C@@H](C)C[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000484068498 859785578 /nfs/dbraw/zinc/78/55/78/859785578.db2.gz JJOQTJXSTUYLHU-IYBDPMFKSA-N 1 2 380.442 3.803 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)[C@@H](C)CN1Cc1ccc(C#N)c(F)c1 ZINC000484068498 859785582 /nfs/dbraw/zinc/78/55/82/859785582.db2.gz JJOQTJXSTUYLHU-IYBDPMFKSA-N 1 2 380.442 3.803 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)[C@@H](C)CN1Cc1ccc(C#N)c(F)c1 ZINC000484068498 859785587 /nfs/dbraw/zinc/78/55/87/859785587.db2.gz JJOQTJXSTUYLHU-IYBDPMFKSA-N 1 2 380.442 3.803 20 30 GHEDLO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccco1 ZINC000543486830 859920253 /nfs/dbraw/zinc/92/02/53/859920253.db2.gz DEINZUQNHFXENR-CZUORRHYSA-N 1 2 387.505 3.786 20 30 GHEDLO COC(=O)c1ccc(C[N@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)cc1 ZINC000161401511 859933820 /nfs/dbraw/zinc/93/38/20/859933820.db2.gz FQWZVWDFHPUNTL-UHFFFAOYSA-N 1 2 399.878 3.505 20 30 GHEDLO COC(=O)c1ccc(C[N@@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)cc1 ZINC000161401511 859933826 /nfs/dbraw/zinc/93/38/26/859933826.db2.gz FQWZVWDFHPUNTL-UHFFFAOYSA-N 1 2 399.878 3.505 20 30 GHEDLO CCOc1ccc(C[NH+]2CCN(C(=O)C[C@@H](CC#N)c3ccccc3)CC2)cc1 ZINC000474415889 860013962 /nfs/dbraw/zinc/01/39/62/860013962.db2.gz RMKVXPGDKLPINB-JOCHJYFZSA-N 1 2 391.515 3.817 20 30 GHEDLO C=CCn1c(-c2ccoc2)nnc1N1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000508921508 860025316 /nfs/dbraw/zinc/02/53/16/860025316.db2.gz LOIOSMOAWRMWKH-UHFFFAOYSA-N 1 2 389.912 3.761 20 30 GHEDLO C=CCn1c([C@@H]2COc3ccccc3O2)nn(C[N@H+]2CCC[C@H]2CC)c1=S ZINC000727824476 860292316 /nfs/dbraw/zinc/29/23/16/860292316.db2.gz QBTZPSWEOAZDEH-QAPCUYQASA-N 1 2 386.521 3.944 20 30 GHEDLO C=CCn1c([C@@H]2COc3ccccc3O2)nn(C[N@@H+]2CCC[C@H]2CC)c1=S ZINC000727824476 860292321 /nfs/dbraw/zinc/29/23/21/860292321.db2.gz QBTZPSWEOAZDEH-QAPCUYQASA-N 1 2 386.521 3.944 20 30 GHEDLO N#Cc1ccc(C2CC[NH+](Cc3nc4c5ccccc5oc4c(=O)[nH]3)CC2)nc1 ZINC000602909732 860342915 /nfs/dbraw/zinc/34/29/15/860342915.db2.gz MUJJXUJHZSMHHT-UHFFFAOYSA-N 1 2 385.427 3.728 20 30 GHEDLO Cc1ccc(-c2nnc([C@@H](C)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)o2)cc1 ZINC000060994545 860500623 /nfs/dbraw/zinc/50/06/23/860500623.db2.gz FWHNWQGNEMNWCM-GOSISDBHSA-N 1 2 387.487 3.796 20 30 GHEDLO N#Cc1ccccc1OCc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)o1 ZINC000509070495 860792802 /nfs/dbraw/zinc/79/28/02/860792802.db2.gz QJWVXBPXSFCODB-UHFFFAOYSA-N 1 2 398.422 3.846 20 30 GHEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2cnc(-c3ccccc3)s2)CC1 ZINC000603590414 860875852 /nfs/dbraw/zinc/87/58/52/860875852.db2.gz CXYQLYMXPZBGBY-UHFFFAOYSA-N 1 2 391.500 3.869 20 30 GHEDLO N#Cc1c(F)cccc1C[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000428302945 860927339 /nfs/dbraw/zinc/92/73/39/860927339.db2.gz HJTLCOQOXACGHY-UHFFFAOYSA-N 1 2 387.842 3.907 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCC3(C(F)(F)F)CCCC3)CC2)cc1 ZINC000599230334 860966286 /nfs/dbraw/zinc/96/62/86/860966286.db2.gz JMALPPASBRYFCH-UHFFFAOYSA-N 1 2 394.441 3.508 20 30 GHEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](c2nc(C)no2)C1 ZINC000329068109 860991271 /nfs/dbraw/zinc/99/12/71/860991271.db2.gz XJBUEVYCZUUZIP-AAEUAGOBSA-N 1 2 378.860 3.814 20 30 GHEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](c2nc(C)no2)C1 ZINC000329068109 860991285 /nfs/dbraw/zinc/99/12/85/860991285.db2.gz XJBUEVYCZUUZIP-AAEUAGOBSA-N 1 2 378.860 3.814 20 30 GHEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)[C@@H]2CCCc3ccccc32)CCC(=O)N1C1CC1 ZINC000329165753 861091611 /nfs/dbraw/zinc/09/16/11/861091611.db2.gz HJIIAVTWNQFGJX-WOIUINJBSA-N 1 2 392.503 3.691 20 30 GHEDLO C#CCOc1ccccc1CNC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000734161867 864039590 /nfs/dbraw/zinc/03/95/90/864039590.db2.gz RXZXKTTXDRKNGR-MRXNPFEDSA-N 1 2 398.532 3.709 20 30 GHEDLO C#CCOc1ccccc1CNC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000734161867 864039602 /nfs/dbraw/zinc/03/96/02/864039602.db2.gz RXZXKTTXDRKNGR-MRXNPFEDSA-N 1 2 398.532 3.709 20 30 GHEDLO N#Cc1ccc(-c2nnc(C[NH2+]C3(c4ccc(F)cc4)CCOCC3)o2)cc1 ZINC000173352646 881772722 /nfs/dbraw/zinc/77/27/22/881772722.db2.gz QHRLVSDZCWPCFD-UHFFFAOYSA-N 1 2 378.407 3.543 20 30 GHEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000475284176 864712853 /nfs/dbraw/zinc/71/28/53/864712853.db2.gz VZKZDUYWWVPOKU-QGZVFWFLSA-N 1 2 380.492 3.606 20 30 GHEDLO CC(C)(CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)Cc1ccccc1 ZINC000609771621 864808416 /nfs/dbraw/zinc/80/84/16/864808416.db2.gz RNCBLNMKFLEKAV-UHFFFAOYSA-N 1 2 390.531 3.654 20 30 GHEDLO COCCOc1ccccc1C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000475334169 864823517 /nfs/dbraw/zinc/82/35/17/864823517.db2.gz OAOWMCKNVMBWBY-NRFANRHFSA-N 1 2 399.922 3.748 20 30 GHEDLO C=CCn1c(CCC(C)C)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000508477155 865196199 /nfs/dbraw/zinc/19/61/99/865196199.db2.gz JQHBSYHULYQVGI-UHFFFAOYSA-N 1 2 397.571 3.601 20 30 GHEDLO C=CCN1CC[C@H]([N@@H+](CC(=O)Nc2ccccc2C(F)(F)F)[C@@H](C)CC)C1=O ZINC000282003559 865486124 /nfs/dbraw/zinc/48/61/24/865486124.db2.gz NQRJTAAFLFFGNR-YOEHRIQHSA-N 1 2 397.441 3.531 20 30 GHEDLO C=CCN1CC[C@H]([N@H+](CC(=O)Nc2ccccc2C(F)(F)F)[C@@H](C)CC)C1=O ZINC000282003559 865486129 /nfs/dbraw/zinc/48/61/29/865486129.db2.gz NQRJTAAFLFFGNR-YOEHRIQHSA-N 1 2 397.441 3.531 20 30 GHEDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCc3cc(C#N)ccc3F)c2C1 ZINC000174400329 865764179 /nfs/dbraw/zinc/76/41/79/865764179.db2.gz XLPRJORIMBNOML-UHFFFAOYSA-N 1 2 388.446 3.554 20 30 GHEDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCc3cc(C#N)ccc3F)c2C1 ZINC000174400329 865764183 /nfs/dbraw/zinc/76/41/83/865764183.db2.gz XLPRJORIMBNOML-UHFFFAOYSA-N 1 2 388.446 3.554 20 30 GHEDLO N#CCCCOc1cccc(C[NH+]2CCN(c3nc(F)c(F)cc3F)CC2)c1 ZINC000763619402 866729546 /nfs/dbraw/zinc/72/95/46/866729546.db2.gz KKLPNJWYUOUISW-UHFFFAOYSA-N 1 2 390.409 3.504 20 30 GHEDLO C#CC[N@@H+](CC(=O)Nc1ccnn1Cc1cccs1)[C@@H]1CCc2ccccc21 ZINC000741776536 866780385 /nfs/dbraw/zinc/78/03/85/866780385.db2.gz LHYZYAHDTLZSNK-HXUWFJFHSA-N 1 2 390.512 3.554 20 30 GHEDLO C#CC[N@H+](CC(=O)Nc1ccnn1Cc1cccs1)[C@@H]1CCc2ccccc21 ZINC000741776536 866780404 /nfs/dbraw/zinc/78/04/04/866780404.db2.gz LHYZYAHDTLZSNK-HXUWFJFHSA-N 1 2 390.512 3.554 20 30 GHEDLO Clc1ccc(N[NH+]=Cc2c(N3CCOCC3)nc3ccccn32)c(Cl)c1 ZINC000741811704 866808949 /nfs/dbraw/zinc/80/89/49/866808949.db2.gz AHMXPPGOBKPJLY-UHFFFAOYSA-N 1 2 390.274 3.924 20 30 GHEDLO CC[NH+](CC)Cc1nc(C2(NCc3ccc(O[C@H](C)C#N)cc3)CCCC2)no1 ZINC000742384571 867252518 /nfs/dbraw/zinc/25/25/18/867252518.db2.gz IMASSHBKYNCGQG-QGZVFWFLSA-N 1 2 397.523 3.761 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(OC2CCCC2)CC1 ZINC000195325391 882063013 /nfs/dbraw/zinc/06/30/13/882063013.db2.gz KQVQPNDSTKKSCS-AWEZNQCLSA-N 1 2 387.549 3.859 20 30 GHEDLO C=CCn1c(C2CC2)nnc1N1CC[NH+]([C@@H](CC)c2ccc(F)cc2F)CC1 ZINC000508840385 867757946 /nfs/dbraw/zinc/75/79/46/867757946.db2.gz LAWIHQMYHFXPAV-IBGZPJMESA-N 1 2 387.478 3.893 20 30 GHEDLO C#CCOc1cc(F)ccc1NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000743150215 867879319 /nfs/dbraw/zinc/87/93/19/867879319.db2.gz OVZQTKFTLQDLQP-MRXNPFEDSA-N 1 2 397.450 3.875 20 30 GHEDLO C[C@H]1C(=O)N(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)[C@H]1c1ccccc1 ZINC000743363591 868115593 /nfs/dbraw/zinc/11/55/93/868115593.db2.gz VJQCRJHMYHJOCM-VGOFRKELSA-N 1 2 375.472 3.579 20 30 GHEDLO OC[C@H]1C[N@H+](Cc2cc(F)c(C(F)(F)F)cc2F)CC[C@H]1C(F)(F)F ZINC000553899955 868417092 /nfs/dbraw/zinc/41/70/92/868417092.db2.gz UYZOFHVSSGCWIS-NXEZZACHSA-N 1 2 377.275 3.976 20 30 GHEDLO OC[C@H]1C[N@@H+](Cc2cc(F)c(C(F)(F)F)cc2F)CC[C@H]1C(F)(F)F ZINC000553899955 868417097 /nfs/dbraw/zinc/41/70/97/868417097.db2.gz UYZOFHVSSGCWIS-NXEZZACHSA-N 1 2 377.275 3.976 20 30 GHEDLO C#CCC[NH+]1CCN(C(=O)c2oc3ccccc3c2COc2ccccc2)CC1 ZINC000744370831 868769757 /nfs/dbraw/zinc/76/97/57/868769757.db2.gz CCPDKKREQOLVMU-UHFFFAOYSA-N 1 2 388.467 3.793 20 30 GHEDLO Cc1csc(C(C)(C)[NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)n1 ZINC000744403766 868811778 /nfs/dbraw/zinc/81/17/78/868811778.db2.gz ZADPSWHHLNAMSE-AWEZNQCLSA-N 1 2 377.473 3.514 20 30 GHEDLO CC[NH+](CC)[C@@H](C(=O)O[C@@H](C)C(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000744995154 869219951 /nfs/dbraw/zinc/21/99/51/869219951.db2.gz ATWTZKXLBFQGOG-OXJNMPFZSA-N 1 2 379.460 3.512 20 30 GHEDLO CC[N@H+](C)[C@H](C(=O)O[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1ccccc1 ZINC000745099621 869288315 /nfs/dbraw/zinc/28/83/15/869288315.db2.gz YIKSYYDEBGTZNB-GZRZCRQQSA-N 1 2 399.535 3.542 20 30 GHEDLO CC[N@@H+](C)[C@H](C(=O)O[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1ccccc1 ZINC000745099621 869288324 /nfs/dbraw/zinc/28/83/24/869288324.db2.gz YIKSYYDEBGTZNB-GZRZCRQQSA-N 1 2 399.535 3.542 20 30 GHEDLO COc1ccc(Br)cc1C[N@H+](C)Cc1cc(C#N)ccc1OC ZINC000441109083 870376923 /nfs/dbraw/zinc/37/69/23/870376923.db2.gz FSNAFWQUMXSBKB-UHFFFAOYSA-N 1 2 375.266 3.970 20 30 GHEDLO COc1ccc(Br)cc1C[N@@H+](C)Cc1cc(C#N)ccc1OC ZINC000441109083 870376940 /nfs/dbraw/zinc/37/69/40/870376940.db2.gz FSNAFWQUMXSBKB-UHFFFAOYSA-N 1 2 375.266 3.970 20 30 GHEDLO N#Cc1cccc(-c2nnc(C[N@@H+](Cc3cccs3)C[C@@H]3CCCO3)o2)c1 ZINC000441185628 870939659 /nfs/dbraw/zinc/93/96/59/870939659.db2.gz TWTXTTPRLORDLR-KRWDZBQOSA-N 1 2 380.473 3.851 20 30 GHEDLO N#Cc1cccc(-c2nnc(C[N@H+](Cc3cccs3)C[C@@H]3CCCO3)o2)c1 ZINC000441185628 870939668 /nfs/dbraw/zinc/93/96/68/870939668.db2.gz TWTXTTPRLORDLR-KRWDZBQOSA-N 1 2 380.473 3.851 20 30 GHEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(NCc2cn3cccc(C)c3n2)[nH+]1 ZINC001169016648 871101299 /nfs/dbraw/zinc/10/12/99/871101299.db2.gz WGCBOIOYXAQCDK-XCTIMZFNSA-N 1 2 383.521 3.839 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCN(c2cccc3cnccc32)C[C@@H]1C ZINC000447384890 871513796 /nfs/dbraw/zinc/51/37/96/871513796.db2.gz NLRGSPORPSLKLZ-ZWKOTPCHSA-N 1 2 399.498 3.644 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCN(c2cccc3cnccc32)C[C@@H]1C ZINC000447384890 871513801 /nfs/dbraw/zinc/51/38/01/871513801.db2.gz NLRGSPORPSLKLZ-ZWKOTPCHSA-N 1 2 399.498 3.644 20 30 GHEDLO C[C@@](C#N)(NC(=O)C[NH+]1CCC(c2cccc(Cl)c2Cl)CC1)C1CC1 ZINC000463368860 871552969 /nfs/dbraw/zinc/55/29/69/871552969.db2.gz PVRRLDLGLOFHGW-IBGZPJMESA-N 1 2 380.319 3.981 20 30 GHEDLO COc1cc(C)c(C[N@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)cc1OC ZINC000441258641 871568114 /nfs/dbraw/zinc/56/81/14/871568114.db2.gz TXCIYYHYHLVLGO-UHFFFAOYSA-N 1 2 378.432 3.566 20 30 GHEDLO COc1cc(C)c(C[N@@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)cc1OC ZINC000441258641 871568127 /nfs/dbraw/zinc/56/81/27/871568127.db2.gz TXCIYYHYHLVLGO-UHFFFAOYSA-N 1 2 378.432 3.566 20 30 GHEDLO C[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)c1cccc(C#N)c1 ZINC000462073141 871570996 /nfs/dbraw/zinc/57/09/96/871570996.db2.gz WDCTWIVQPFQQJK-CRAIPNDOSA-N 1 2 383.442 3.721 20 30 GHEDLO C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)c1cccc(C#N)c1 ZINC000462073141 871571006 /nfs/dbraw/zinc/57/10/06/871571006.db2.gz WDCTWIVQPFQQJK-CRAIPNDOSA-N 1 2 383.442 3.721 20 30 GHEDLO COc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1OCCCC#N ZINC000093458029 882543412 /nfs/dbraw/zinc/54/34/12/882543412.db2.gz GMHFISBYXJZKTC-JOCHJYFZSA-N 1 2 382.460 3.657 20 30 GHEDLO COc1ccc(C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1OCCCC#N ZINC000093458029 882543417 /nfs/dbraw/zinc/54/34/17/882543417.db2.gz GMHFISBYXJZKTC-JOCHJYFZSA-N 1 2 382.460 3.657 20 30 GHEDLO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000618852124 872076194 /nfs/dbraw/zinc/07/61/94/872076194.db2.gz RZFAZVYOPYEFEQ-GRUIHPGSSA-N 1 2 386.499 3.586 20 30 GHEDLO C[C@H](NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1cccc(C#N)c1 ZINC000619695951 872884513 /nfs/dbraw/zinc/88/45/13/872884513.db2.gz ZBJUXPOHRHSHIL-LPHOPBHVSA-N 1 2 377.492 3.741 20 30 GHEDLO N#CC1(c2ccccn2)CC[NH+](Cc2cn3cc(Br)ccc3n2)CC1 ZINC000619722978 872922218 /nfs/dbraw/zinc/92/22/18/872922218.db2.gz YHAKVMFEXKUKRH-UHFFFAOYSA-N 1 2 396.292 3.549 20 30 GHEDLO N#Cc1ccc(CNC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1Cl ZINC000619768584 873004276 /nfs/dbraw/zinc/00/42/76/873004276.db2.gz AROWAYNPUPSGCM-KRWDZBQOSA-N 1 2 397.910 3.834 20 30 GHEDLO N#CCCn1cc(C[N@@H+]2CCOc3cccc(F)c3C2)c(-c2ccccc2)n1 ZINC000619846209 873072871 /nfs/dbraw/zinc/07/28/71/873072871.db2.gz ZNZXPRUXZHYFTE-UHFFFAOYSA-N 1 2 376.435 3.997 20 30 GHEDLO N#CCCn1cc(C[N@H+]2CCOc3cccc(F)c3C2)c(-c2ccccc2)n1 ZINC000619846209 873072886 /nfs/dbraw/zinc/07/28/86/873072886.db2.gz ZNZXPRUXZHYFTE-UHFFFAOYSA-N 1 2 376.435 3.997 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H](C)N1Cc1ccc(F)c(C#N)c1 ZINC000448523630 873546030 /nfs/dbraw/zinc/54/60/30/873546030.db2.gz AIILYXCIAGDLQP-IYBDPMFKSA-N 1 2 380.442 3.803 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H](C)N1Cc1ccc(F)c(C#N)c1 ZINC000448523630 873546038 /nfs/dbraw/zinc/54/60/38/873546038.db2.gz AIILYXCIAGDLQP-IYBDPMFKSA-N 1 2 380.442 3.803 20 30 GHEDLO C=CCn1c2nn(C[N@@H+]3CCC[C@H]3C3CCC3)c(=S)n2c2ccccc2c1=O ZINC000102886053 873793184 /nfs/dbraw/zinc/79/31/84/873793184.db2.gz XPENESXRZXTUQC-KRWDZBQOSA-N 1 2 395.532 3.588 20 30 GHEDLO C=CCn1c2nn(C[N@H+]3CCC[C@H]3C3CCC3)c(=S)n2c2ccccc2c1=O ZINC000102886053 873793193 /nfs/dbraw/zinc/79/31/93/873793193.db2.gz XPENESXRZXTUQC-KRWDZBQOSA-N 1 2 395.532 3.588 20 30 GHEDLO C[N@@H+](Cc1cc(C#N)ccc1Br)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC001198156610 874252033 /nfs/dbraw/zinc/25/20/33/874252033.db2.gz IEVVKLZYCIALLO-HNNXBMFYSA-N 1 2 394.313 3.762 20 30 GHEDLO C[N@H+](Cc1cc(C#N)ccc1Br)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC001198156610 874252046 /nfs/dbraw/zinc/25/20/46/874252046.db2.gz IEVVKLZYCIALLO-HNNXBMFYSA-N 1 2 394.313 3.762 20 30 GHEDLO COc1cccc(CO[NH+]=C(N)c2ccc(CNC(=O)OC(C)(C)C)cc2)c1 ZINC000769841484 874319367 /nfs/dbraw/zinc/31/93/67/874319367.db2.gz GXONBOJMZQLEPJ-UHFFFAOYSA-N 1 2 385.464 3.557 20 30 GHEDLO N#Cc1cccnc1N1CC[NH+](Cc2cnc(-c3c(F)cccc3F)s2)CC1 ZINC000449009652 874354980 /nfs/dbraw/zinc/35/49/80/874354980.db2.gz OTIVNFFFGOVIFW-UHFFFAOYSA-N 1 2 397.454 3.677 20 30 GHEDLO N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3Cc4c[nH+]cn4C3)cc2Cl)cc1 ZINC001198757947 874617026 /nfs/dbraw/zinc/61/70/26/874617026.db2.gz BYJXZEGTUBSZOI-HNNXBMFYSA-N 1 2 393.834 3.947 20 30 GHEDLO N#Cc1cccc(N2CC[NH+](Cc3cnc(-c4ccccc4F)s3)CC2)n1 ZINC000449242280 874647855 /nfs/dbraw/zinc/64/78/55/874647855.db2.gz FCCGABVQLPWOMA-UHFFFAOYSA-N 1 2 379.464 3.538 20 30 GHEDLO N#Cc1ccc(N2CC[C@@H]([NH+]3CCC(=Cc4ccccc4F)CC3)C2=O)cc1 ZINC000464877019 874700626 /nfs/dbraw/zinc/70/06/26/874700626.db2.gz PNKNCRHSXXNEMM-JOCHJYFZSA-N 1 2 375.447 3.982 20 30 GHEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC000528560956 874707203 /nfs/dbraw/zinc/70/72/03/874707203.db2.gz PIONKMALFZFZLI-ROUUACIJSA-N 1 2 387.277 3.507 20 30 GHEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC000528560956 874707211 /nfs/dbraw/zinc/70/72/11/874707211.db2.gz PIONKMALFZFZLI-ROUUACIJSA-N 1 2 387.277 3.507 20 30 GHEDLO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCc2ccc[nH+]c2N)cc1 ZINC001199525872 875035216 /nfs/dbraw/zinc/03/52/16/875035216.db2.gz NCBCLWLFXJIMRB-UHFFFAOYSA-N 1 2 389.415 3.658 20 30 GHEDLO Cc1cc(-c2nnc(C[NH2+]C3(c4ccc(C#N)cc4)CCOCC3)o2)c(C)o1 ZINC000528784475 875056336 /nfs/dbraw/zinc/05/63/36/875056336.db2.gz UFPMVJQYUSTSNS-UHFFFAOYSA-N 1 2 378.432 3.614 20 30 GHEDLO N#CCc1ccc(C[NH+]2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000542209598 875185840 /nfs/dbraw/zinc/18/58/40/875185840.db2.gz JELQJWVVYGINLG-UHFFFAOYSA-N 1 2 377.532 3.613 20 30 GHEDLO CSc1nc(C2CC2)cc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1C#N ZINC000029912495 875663440 /nfs/dbraw/zinc/66/34/40/875663440.db2.gz YCSXMZNBIRLLRE-UHFFFAOYSA-N 1 2 375.457 3.991 20 30 GHEDLO N#Cc1ccc(C2(C(=O)NCc3ccccc3Cn3cc[nH+]c3)CCCC2)cc1 ZINC000858246265 882972682 /nfs/dbraw/zinc/97/26/82/882972682.db2.gz AEPJHZWZZWUGHZ-UHFFFAOYSA-N 1 2 384.483 3.931 20 30 GHEDLO CCCCCCCCCCS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001201837159 875898404 /nfs/dbraw/zinc/89/84/04/875898404.db2.gz OLVFOQQAHAGLRT-HXUWFJFHSA-N 1 2 381.586 3.716 20 30 GHEDLO CCCCCCCCCCS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001201837159 875898410 /nfs/dbraw/zinc/89/84/10/875898410.db2.gz OLVFOQQAHAGLRT-HXUWFJFHSA-N 1 2 381.586 3.716 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(Cc3coc(-c4ccc(F)c(F)c4)n3)CC2)cc1 ZINC000492179143 876383404 /nfs/dbraw/zinc/38/34/04/876383404.db2.gz BAFHTWMYZHLZHX-UHFFFAOYSA-N 1 2 394.425 3.809 20 30 GHEDLO N#Cc1c(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)sc2c1CCCCC2 ZINC000610150749 877485342 /nfs/dbraw/zinc/48/53/42/877485342.db2.gz NTBUWMWDWZIFKM-LJQANCHMSA-N 1 2 395.528 3.728 20 30 GHEDLO N#Cc1c(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)sc2c1CCCCC2 ZINC000610150749 877485349 /nfs/dbraw/zinc/48/53/49/877485349.db2.gz NTBUWMWDWZIFKM-LJQANCHMSA-N 1 2 395.528 3.728 20 30 GHEDLO COC(=O)c1ccc(C[NH2+]Cc2cc(C#N)ccc2Br)c(F)c1 ZINC001183054522 912249155 /nfs/dbraw/zinc/24/91/55/912249155.db2.gz ZDOGBYIUVRGIKI-UHFFFAOYSA-N 1 2 377.213 3.536 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c(Br)c1 ZINC000451289681 877726567 /nfs/dbraw/zinc/72/65/67/877726567.db2.gz XZEKHCGFQMNTSD-MJGOQNOKSA-N 1 2 389.268 3.621 20 30 GHEDLO N#Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c(Br)c1 ZINC000451289681 877726584 /nfs/dbraw/zinc/72/65/84/877726584.db2.gz XZEKHCGFQMNTSD-MJGOQNOKSA-N 1 2 389.268 3.621 20 30 GHEDLO N#Cc1cccc(NC(=O)C[NH+]2CCC(c3nc(C(F)(F)F)cs3)CC2)c1 ZINC000451299571 877745550 /nfs/dbraw/zinc/74/55/50/877745550.db2.gz ZVEYJPDJSTVWHY-UHFFFAOYSA-N 1 2 394.422 3.852 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC3(CC2)OCCc2ccsc23)c(C#N)c1C ZINC000492973269 877915382 /nfs/dbraw/zinc/91/53/82/877915382.db2.gz PYGDKOZSCTYQLQ-CQSZACIVSA-N 1 2 399.516 3.721 20 30 GHEDLO Cc1cc2oc(=O)cc(C[NH+]3CCN(c4ccsc4C#N)CC3)c2cc1C ZINC000852342061 878265379 /nfs/dbraw/zinc/26/53/79/878265379.db2.gz DUCQBTCZBAMAPB-UHFFFAOYSA-N 1 2 379.485 3.665 20 30 GHEDLO C=C(CSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1)C(=O)OCC ZINC000788807382 878331714 /nfs/dbraw/zinc/33/17/14/878331714.db2.gz YGWDAILBAROYFI-ZDUSSCGKSA-N 1 2 394.928 3.755 20 30 GHEDLO C=CC[C@@H](NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccncc1 ZINC000789025354 878548806 /nfs/dbraw/zinc/54/88/06/878548806.db2.gz GQYRZTBEFIIMJM-HXUWFJFHSA-N 1 2 379.508 3.821 20 30 GHEDLO CC(C)(C)OC(=O)[C@H]1c2ccccc2CC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000852779732 878593883 /nfs/dbraw/zinc/59/38/83/878593883.db2.gz IFKQWQPYJXQYTB-LEWJYISDSA-N 1 2 378.472 3.533 20 30 GHEDLO CC(C)(C)OC(=O)[C@H]1c2ccccc2CC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000852779732 878593895 /nfs/dbraw/zinc/59/38/95/878593895.db2.gz IFKQWQPYJXQYTB-LEWJYISDSA-N 1 2 378.472 3.533 20 30 GHEDLO CC(C)(C)OC(=O)[C@@H]1c2ccccc2CC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000852779736 878594043 /nfs/dbraw/zinc/59/40/43/878594043.db2.gz IFKQWQPYJXQYTB-RTWAWAEBSA-N 1 2 378.472 3.533 20 30 GHEDLO CC(C)(C)OC(=O)[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000852779736 878594052 /nfs/dbraw/zinc/59/40/52/878594052.db2.gz IFKQWQPYJXQYTB-RTWAWAEBSA-N 1 2 378.472 3.533 20 30 GHEDLO C=CCn1c(=S)n(CN2CC[C@@H](Oc3cc[nH+]cc3)C2)nc1-c1cccs1 ZINC000163339175 878689173 /nfs/dbraw/zinc/68/91/73/878689173.db2.gz INKCTPJNCARNTC-MRXNPFEDSA-N 1 2 399.545 3.834 20 30 GHEDLO N#Cc1ccc(N[NH+]=Cc2ccc(N3CCC(O)CC3)cc2)c(C(F)(F)F)c1 ZINC000853343205 878977294 /nfs/dbraw/zinc/97/72/94/878977294.db2.gz XTPLEUHILCILKA-UHFFFAOYSA-N 1 2 388.393 3.984 20 30 GHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c1=S ZINC000789547596 879068061 /nfs/dbraw/zinc/06/80/61/879068061.db2.gz WRUWNFMNOWRNCN-OAQYLSRUSA-N 1 2 384.549 3.651 20 30 GHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+]2CC[C@@]3(C2)CCCOC3)c1=S ZINC000789547596 879068072 /nfs/dbraw/zinc/06/80/72/879068072.db2.gz WRUWNFMNOWRNCN-OAQYLSRUSA-N 1 2 384.549 3.651 20 30 GHEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+](CCOC)[C@@H]2CC[C@@H](C)C2)c1=S ZINC000790482211 879754234 /nfs/dbraw/zinc/75/42/34/879754234.db2.gz ZYFQUZOTBMBHLG-SJLPKXTDSA-N 1 2 387.553 3.757 20 30 GHEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+](CCOC)[C@@H]2CC[C@@H](C)C2)c1=S ZINC000790482211 879754243 /nfs/dbraw/zinc/75/42/43/879754243.db2.gz ZYFQUZOTBMBHLG-SJLPKXTDSA-N 1 2 387.553 3.757 20 30 GHEDLO N#Cc1cnc2ccc(Cl)cc2c1NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000461460770 879875314 /nfs/dbraw/zinc/87/53/14/879875314.db2.gz OSLDLBFNPOGJSU-OAQYLSRUSA-N 1 2 392.890 3.667 20 30 GHEDLO Cc1cc(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)nn1-c1cccc(C#N)c1 ZINC000791451882 880415601 /nfs/dbraw/zinc/41/56/01/880415601.db2.gz YKHGZCVDRLPTRH-UHFFFAOYSA-N 1 2 397.438 3.904 20 30 GHEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000791619862 880545753 /nfs/dbraw/zinc/54/57/53/880545753.db2.gz OJSQVSATXOODHP-WOJBJXKFSA-N 1 2 390.314 3.909 20 30 GHEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCCC[C@H]1C(=O)OCc1ccccc1 ZINC000791644265 880578689 /nfs/dbraw/zinc/57/86/89/880578689.db2.gz ZTVQXIIKVFUAEM-SFHVURJKSA-N 1 2 397.500 3.546 20 30 GHEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCCC[C@H]1C(=O)OCc1ccccc1 ZINC000791644265 880578700 /nfs/dbraw/zinc/57/87/00/880578700.db2.gz ZTVQXIIKVFUAEM-SFHVURJKSA-N 1 2 397.500 3.546 20 30 GHEDLO CCc1ccc(CN2CC[NH+](Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)cc1 ZINC001183527310 912585493 /nfs/dbraw/zinc/58/54/93/912585493.db2.gz UITGTLHXSATAOH-UHFFFAOYSA-N 1 2 399.542 3.839 20 30 GHEDLO C=C(C)[C@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccc(F)c(F)c1 ZINC000187539148 881225393 /nfs/dbraw/zinc/22/53/93/881225393.db2.gz SKSGUSWIRBJVBQ-FQEVSTJZSA-N 1 2 386.446 3.945 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(c2nc(Cl)c(C#N)s2)[C@H](C)C1 ZINC000804691164 883252959 /nfs/dbraw/zinc/25/29/59/883252959.db2.gz QFQANAJYHDNRGW-CYBMUJFWSA-N 1 2 376.913 3.778 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(c2nc(Cl)c(C#N)s2)[C@H](C)C1 ZINC000804691164 883252975 /nfs/dbraw/zinc/25/29/75/883252975.db2.gz QFQANAJYHDNRGW-CYBMUJFWSA-N 1 2 376.913 3.778 20 30 GHEDLO N#Cc1ccccc1OCc1cccc(C(=O)NCC[NH+]2Cc3ccccc3C2)c1 ZINC000609630825 883488295 /nfs/dbraw/zinc/48/82/95/883488295.db2.gz QDUCACWEECGPOW-UHFFFAOYSA-N 1 2 397.478 3.883 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(CC(F)(F)F)CC2)cc1 ZINC000551401705 883816761 /nfs/dbraw/zinc/81/67/61/883816761.db2.gz NKEHOXPXEPBVBM-UHFFFAOYSA-N 1 2 397.441 3.996 20 30 GHEDLO CCCNc1ccc(C#N)cc1NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000476117579 883988087 /nfs/dbraw/zinc/98/80/87/883988087.db2.gz YXOCMGBWXHYZFI-UHFFFAOYSA-N 1 2 383.402 3.955 20 30 GHEDLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000805802137 884119149 /nfs/dbraw/zinc/11/91/49/884119149.db2.gz PORYYNXHTRMOHE-LRDDRELGSA-N 1 2 394.313 3.808 20 30 GHEDLO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1cc(C#N)ccc1Br ZINC000805802137 884119156 /nfs/dbraw/zinc/11/91/56/884119156.db2.gz PORYYNXHTRMOHE-LRDDRELGSA-N 1 2 394.313 3.808 20 30 GHEDLO C#CCOc1cccc([C@H](C)OC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)c1 ZINC000805877318 884169696 /nfs/dbraw/zinc/16/96/96/884169696.db2.gz DUQQWBWRHLDDHX-INIZCTEOSA-N 1 2 398.528 3.980 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)NCc1cccc2ncccc12 ZINC001183838188 912841295 /nfs/dbraw/zinc/84/12/95/912841295.db2.gz BJAKZQNNRUMUEQ-HSZRJFAPSA-N 1 2 384.483 3.777 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)NCc1cccc2ncccc12 ZINC001183838188 912841310 /nfs/dbraw/zinc/84/13/10/912841310.db2.gz BJAKZQNNRUMUEQ-HSZRJFAPSA-N 1 2 384.483 3.777 20 30 GHEDLO Cc1ccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c(N(C)C)[nH+]1 ZINC000806360445 884638594 /nfs/dbraw/zinc/63/85/94/884638594.db2.gz HBLAAVPOHMGFNE-UHFFFAOYSA-N 1 2 397.454 3.542 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC(F)(F)C1 ZINC001183841917 912847168 /nfs/dbraw/zinc/84/71/68/912847168.db2.gz PYWLGLQPDATGLM-APWZRJJASA-N 1 2 375.463 3.854 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC(F)(F)C1 ZINC001183841917 912847186 /nfs/dbraw/zinc/84/71/86/912847186.db2.gz PYWLGLQPDATGLM-APWZRJJASA-N 1 2 375.463 3.854 20 30 GHEDLO N#Cc1cccc(OC2CC[NH+](Cc3nc(-c4ccc(F)cc4)no3)CC2)c1 ZINC000104715923 885573172 /nfs/dbraw/zinc/57/31/72/885573172.db2.gz UAVGXXTZORXHKS-UHFFFAOYSA-N 1 2 378.407 3.791 20 30 GHEDLO Cc1nc(Sc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2)ccc1C#N ZINC000487917374 885908565 /nfs/dbraw/zinc/90/85/65/885908565.db2.gz XJAZDEGPHJDJHD-UHFFFAOYSA-N 1 2 390.516 3.980 20 30 GHEDLO N#Cc1ccc(C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C2CC2)cc1 ZINC000194968275 885985346 /nfs/dbraw/zinc/98/53/46/885985346.db2.gz UVOXVRVJZHCEOO-UHFFFAOYSA-N 1 2 384.823 3.723 20 30 GHEDLO N#Cc1ccc(C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C2CC2)cc1 ZINC000194968275 885985354 /nfs/dbraw/zinc/98/53/54/885985354.db2.gz UVOXVRVJZHCEOO-UHFFFAOYSA-N 1 2 384.823 3.723 20 30 GHEDLO CSCC[C@@H](Nc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(C)[nH+]1)C(C)(C)O ZINC001168213894 886150644 /nfs/dbraw/zinc/15/06/44/886150644.db2.gz OBMSWNYOGPFHED-TWPXNHRBSA-N 1 2 385.599 3.576 20 30 GHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH+]2C[C@@H](C)S[C@H](C)C2)c1C#N ZINC000532576578 886160760 /nfs/dbraw/zinc/16/07/60/886160760.db2.gz OZGVJSXTWMHGEJ-HZPDHXFCSA-N 1 2 396.560 3.789 20 30 GHEDLO C#Cc1cccc(NC(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c1 ZINC000915340167 886362390 /nfs/dbraw/zinc/36/23/90/886362390.db2.gz GPLNCNDPIHKLSE-UHFFFAOYSA-N 1 2 383.879 3.550 20 30 GHEDLO CC(=NN=C1CC[N@@H+](C)[C@@H](c2ccc(Br)cc2)C1)c1cnccn1 ZINC000863097801 886875402 /nfs/dbraw/zinc/87/54/02/886875402.db2.gz QAKJJTQVJULBCX-GOSISDBHSA-N 1 2 386.297 3.871 20 30 GHEDLO CC(=NN=C1CC[N@H+](C)[C@@H](c2ccc(Br)cc2)C1)c1cnccn1 ZINC000863097801 886875420 /nfs/dbraw/zinc/87/54/20/886875420.db2.gz QAKJJTQVJULBCX-GOSISDBHSA-N 1 2 386.297 3.871 20 30 GHEDLO C=CCn1c([C@@H]2COc3ccccc3O2)nn(C[N@H+]2CC[C@H](CC)C2)c1=S ZINC000119516780 887190962 /nfs/dbraw/zinc/19/09/62/887190962.db2.gz PDIGVFHFHFWRRG-YJBOKZPZSA-N 1 2 386.521 3.802 20 30 GHEDLO C=CCn1c([C@@H]2COc3ccccc3O2)nn(C[N@@H+]2CC[C@H](CC)C2)c1=S ZINC000119516780 887190968 /nfs/dbraw/zinc/19/09/68/887190968.db2.gz PDIGVFHFHFWRRG-YJBOKZPZSA-N 1 2 386.521 3.802 20 30 GHEDLO C[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000105039178 887294109 /nfs/dbraw/zinc/29/41/09/887294109.db2.gz PPJWSAZVAGTOFZ-IAGOWNOFSA-N 1 2 394.475 3.581 20 30 GHEDLO C[C@@H](NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000105022511 887311302 /nfs/dbraw/zinc/31/13/02/887311302.db2.gz DBMZLTZFTWUGFR-IAGOWNOFSA-N 1 2 394.475 3.581 20 30 GHEDLO C#CCOc1cccc(Cl)c1C[NH2+]Cc1ccc(C(=O)OC)c(C2CC2)n1 ZINC000809758548 887800693 /nfs/dbraw/zinc/80/06/93/887800693.db2.gz PPPRDEHFJBHMJT-UHFFFAOYSA-N 1 2 384.863 3.701 20 30 GHEDLO C#CCSc1ccc(COC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000810711677 888822523 /nfs/dbraw/zinc/82/25/23/888822523.db2.gz LUVOZFRXPOVMTA-UHFFFAOYSA-N 1 2 376.481 3.943 20 30 GHEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000287361816 913287484 /nfs/dbraw/zinc/28/74/84/913287484.db2.gz LXUBECQTBMTYHW-KRWDZBQOSA-N 1 2 382.464 3.823 20 30 GHEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000287361816 913287499 /nfs/dbraw/zinc/28/74/99/913287499.db2.gz LXUBECQTBMTYHW-KRWDZBQOSA-N 1 2 382.464 3.823 20 30 GHEDLO COc1cc(C[NH+]2CCC(C#N)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000123774228 889394098 /nfs/dbraw/zinc/39/40/98/889394098.db2.gz WVDYMIZCQLDTTR-UHFFFAOYSA-N 1 2 381.432 3.918 20 30 GHEDLO N#Cc1ccc(NC(=O)N2CCC(F)(F)[C@]3(CCN(c4cccc[nH+]4)C3)C2)cc1 ZINC001184732006 913399835 /nfs/dbraw/zinc/39/98/35/913399835.db2.gz TVNDUFYWMWTKQV-FQEVSTJZSA-N 1 2 397.429 3.723 20 30 GHEDLO C[N@H+](CC(F)F)C1CCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)CC1 ZINC000795110903 890335828 /nfs/dbraw/zinc/33/58/28/890335828.db2.gz WTZNXRKGUDMUSG-UHFFFAOYSA-N 1 2 387.478 3.650 20 30 GHEDLO C[N@@H+](CC(F)F)C1CCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)CC1 ZINC000795110903 890335838 /nfs/dbraw/zinc/33/58/38/890335838.db2.gz WTZNXRKGUDMUSG-UHFFFAOYSA-N 1 2 387.478 3.650 20 30 GHEDLO COc1cc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc(C#N)c2)c(SC)cc1OC ZINC000533428797 890542110 /nfs/dbraw/zinc/54/21/10/890542110.db2.gz CXFXCAMNXKPERH-CQSZACIVSA-N 1 2 399.516 3.756 20 30 GHEDLO COc1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc(C#N)c2)c(SC)cc1OC ZINC000533428797 890542120 /nfs/dbraw/zinc/54/21/20/890542120.db2.gz CXFXCAMNXKPERH-CQSZACIVSA-N 1 2 399.516 3.756 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)Nc2cc(CC#N)ccn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000871725699 890991919 /nfs/dbraw/zinc/99/19/19/890991919.db2.gz JIIWNUPSSPFLGA-SJLPKXTDSA-N 1 2 387.846 3.507 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)Nc2cc(CC#N)ccn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000871725699 890991927 /nfs/dbraw/zinc/99/19/27/890991927.db2.gz JIIWNUPSSPFLGA-SJLPKXTDSA-N 1 2 387.846 3.507 20 30 GHEDLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)Nc2cc(CC#N)ccn2)CC1 ZINC000871739499 890997196 /nfs/dbraw/zinc/99/71/96/890997196.db2.gz HPFHDGPCSSNCBT-LJQANCHMSA-N 1 2 381.455 3.588 20 30 GHEDLO C#C[C@H](NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)c1ccc(F)cc1 ZINC000812934813 891140498 /nfs/dbraw/zinc/14/04/98/891140498.db2.gz PDGDPFQQHBKEET-KKSFZXQISA-N 1 2 381.451 3.715 20 30 GHEDLO COc1ccc(C)cc1NC(=O)[C@@H](C)O[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000106067262 891245479 /nfs/dbraw/zinc/24/54/79/891245479.db2.gz LWHWGDOUVLZOAA-CYBMUJFWSA-N 1 2 375.856 3.516 20 30 GHEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)N[C@](C)(C2CCCCC2)C1=O ZINC000917457330 892029868 /nfs/dbraw/zinc/02/98/68/892029868.db2.gz GRULOCXLNRGWHE-JOCHJYFZSA-N 1 2 382.508 3.619 20 30 GHEDLO CCC[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)N[C@](C)(C2CCCCC2)C1=O ZINC000917457330 892029885 /nfs/dbraw/zinc/02/98/85/892029885.db2.gz GRULOCXLNRGWHE-JOCHJYFZSA-N 1 2 382.508 3.619 20 30 GHEDLO Cc1nc(COc2ccc(CNc3[nH+]cccc3OCCCC#N)cc2)no1 ZINC000162245289 892142573 /nfs/dbraw/zinc/14/25/73/892142573.db2.gz RPWRVKAKKUIQLU-UHFFFAOYSA-N 1 2 379.420 3.647 20 30 GHEDLO CCOc1ccc([C@H]2CCCN2C(=O)CO[NH+]=C(N)c2ccc(F)c(C)c2)cc1 ZINC000774822570 913648202 /nfs/dbraw/zinc/64/82/02/913648202.db2.gz ZQTZIAGMONQYBW-HXUWFJFHSA-N 1 2 399.466 3.533 20 30 GHEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000129018401 892876266 /nfs/dbraw/zinc/87/62/66/892876266.db2.gz BFXUUFDIGWZQHJ-MRXNPFEDSA-N 1 2 385.558 3.758 20 30 GHEDLO C[C@H](NC(=O)C[NH+]1CCC2(CC1)CC(=O)C=CO2)c1ccc(Cl)cc1Cl ZINC000933649183 893115224 /nfs/dbraw/zinc/11/52/24/893115224.db2.gz AOQXANVLAMCSDB-ZDUSSCGKSA-N 1 2 397.302 3.508 20 30 GHEDLO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933650282 893116882 /nfs/dbraw/zinc/11/68/82/893116882.db2.gz PJPNLRSHDPTWOI-GFCCVEGCSA-N 1 2 383.275 3.658 20 30 GHEDLO C[C@@H](C(=O)Nc1ccccc1Br)[N@H+](C)Cc1cc(C#N)cs1 ZINC000933779309 893212697 /nfs/dbraw/zinc/21/26/97/893212697.db2.gz XKDZPHNKCNFARM-NSHDSACASA-N 1 2 378.295 3.841 20 30 GHEDLO C[C@@H](C(=O)Nc1ccccc1Br)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933779309 893212717 /nfs/dbraw/zinc/21/27/17/893212717.db2.gz XKDZPHNKCNFARM-NSHDSACASA-N 1 2 378.295 3.841 20 30 GHEDLO CC(=O)[C@@](C#N)(CC[N@H+](CC(=O)Nc1ccc(F)cc1)C(C)C)c1ccccc1 ZINC000878236785 894122024 /nfs/dbraw/zinc/12/20/24/894122024.db2.gz PEJZIQVEVQBXIT-QHCPKHFHSA-N 1 2 395.478 3.915 20 30 GHEDLO CC(=O)[C@@](C#N)(CC[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)C)c1ccccc1 ZINC000878236785 894122035 /nfs/dbraw/zinc/12/20/35/894122035.db2.gz PEJZIQVEVQBXIT-QHCPKHFHSA-N 1 2 395.478 3.915 20 30 GHEDLO CC(=O)[C@](C#N)(CCN1CC[NH+]([C@@H](C)c2ccsc2)CC1)c1ccccc1 ZINC000878436715 894288796 /nfs/dbraw/zinc/28/87/96/894288796.db2.gz MOWGIACPIYQKGY-PGRDOPGGSA-N 1 2 381.545 3.867 20 30 GHEDLO N#CC1(NC(=O)c2cc(C=O)sc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000935270310 894319320 /nfs/dbraw/zinc/31/93/20/894319320.db2.gz BMJFAFVQYSNBOR-UHFFFAOYSA-N 1 2 387.892 3.502 20 30 GHEDLO CC[C@H](Nc1nc(C#N)c(Cl)s1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001185677507 914036700 /nfs/dbraw/zinc/03/67/00/914036700.db2.gz XGWYEYIFSKNHTM-HOCLYGCPSA-N 1 2 376.913 3.760 20 30 GHEDLO CC[C@H](Nc1nc(C#N)c(Cl)s1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001185677507 914036720 /nfs/dbraw/zinc/03/67/20/914036720.db2.gz XGWYEYIFSKNHTM-HOCLYGCPSA-N 1 2 376.913 3.760 20 30 GHEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000566846720 896631163 /nfs/dbraw/zinc/63/11/63/896631163.db2.gz NLAYWGAWIFRPQH-CYBMUJFWSA-N 1 2 375.450 3.680 20 30 GHEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000566846720 896631169 /nfs/dbraw/zinc/63/11/69/896631169.db2.gz NLAYWGAWIFRPQH-CYBMUJFWSA-N 1 2 375.450 3.680 20 30 GHEDLO CC(=[NH+]Nc1ncc(Br)cc1C)c1ccc(N2CCOCC2)cc1 ZINC000819827921 897012206 /nfs/dbraw/zinc/01/22/06/897012206.db2.gz PXCBMJHQFZZBOZ-UHFFFAOYSA-N 1 2 389.297 3.825 20 30 GHEDLO N#Cc1nccc(N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1 ZINC000567433006 897147792 /nfs/dbraw/zinc/14/77/92/897147792.db2.gz UIOBUPJCGPWZGS-UHFFFAOYSA-N 1 2 391.425 3.538 20 30 GHEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000567737941 897369476 /nfs/dbraw/zinc/36/94/76/897369476.db2.gz JZRIWIJMNFOTGV-OXQOHEQNSA-N 1 2 380.492 3.989 20 30 GHEDLO C#C[C@H](NC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccc(Cl)cc1F ZINC000805779401 898233088 /nfs/dbraw/zinc/23/30/88/898233088.db2.gz WBOKZKGFWRULDX-SFHVURJKSA-N 1 2 391.899 3.742 20 30 GHEDLO Cc1csc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1C#N ZINC000573930818 900703773 /nfs/dbraw/zinc/70/37/73/900703773.db2.gz CSTWVKBXIDPASE-JKSUJKDBSA-N 1 2 376.432 3.773 20 30 GHEDLO Cc1csc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c1C#N ZINC000573930818 900703780 /nfs/dbraw/zinc/70/37/80/900703780.db2.gz CSTWVKBXIDPASE-JKSUJKDBSA-N 1 2 376.432 3.773 20 30 GHEDLO C=CCC(C)(C)C(=O)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001144068223 901012910 /nfs/dbraw/zinc/01/29/10/901012910.db2.gz FAZBFDKQZCOHHP-AWEZNQCLSA-N 1 2 392.297 3.599 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886684461 901224678 /nfs/dbraw/zinc/22/46/78/901224678.db2.gz LWLBDUANKPTYEU-IAGOWNOFSA-N 1 2 395.532 3.689 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886684461 901224692 /nfs/dbraw/zinc/22/46/92/901224692.db2.gz LWLBDUANKPTYEU-IAGOWNOFSA-N 1 2 395.532 3.689 20 30 GHEDLO C=CCC1(O)CC[NH+]([C@@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@@H](C)CC4)CC1 ZINC000886757958 901257132 /nfs/dbraw/zinc/25/71/32/901257132.db2.gz WDBMVAUKUQJZBL-KBPBESRZSA-N 1 2 387.549 3.986 20 30 GHEDLO N#CCc1ccc(OCc2cccc(NC(=O)[C@@H]3CCc4c[nH+]cn4C3)c2)cc1 ZINC000576470127 902038934 /nfs/dbraw/zinc/03/89/34/902038934.db2.gz YPANMCIRAPSSPD-LJQANCHMSA-N 1 2 386.455 3.729 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2c(F)cc(C#N)cc2F)C[C@H](C)O1 ZINC000125638079 902233561 /nfs/dbraw/zinc/23/35/61/902233561.db2.gz MKYDHCXNKCUIBU-OKILXGFUSA-N 1 2 385.414 3.698 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2c(F)cc(C#N)cc2F)C[C@H](C)O1 ZINC000125638079 902233579 /nfs/dbraw/zinc/23/35/79/902233579.db2.gz MKYDHCXNKCUIBU-OKILXGFUSA-N 1 2 385.414 3.698 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000126791999 902370004 /nfs/dbraw/zinc/37/00/04/902370004.db2.gz OFUTWPAHNSRXFV-XLIONFOSSA-N 1 2 395.528 3.920 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000126791999 902370011 /nfs/dbraw/zinc/37/00/11/902370011.db2.gz OFUTWPAHNSRXFV-XLIONFOSSA-N 1 2 395.528 3.920 20 30 GHEDLO N#CC1(C[C@@H](O)CNc2ccc3[nH]c(-c4ccccc4)[nH+]c3c2)CCOCC1 ZINC000600739313 902861888 /nfs/dbraw/zinc/86/18/88/902861888.db2.gz QYISBIKJANRJKY-GOSISDBHSA-N 1 2 376.460 3.713 20 30 GHEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)C1=O ZINC000577589879 902926442 /nfs/dbraw/zinc/92/64/42/902926442.db2.gz TVDHSIUOOUHAAQ-ZIAGYGMSSA-N 1 2 383.439 3.780 20 30 GHEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)C1=O ZINC000577589879 902926450 /nfs/dbraw/zinc/92/64/50/902926450.db2.gz TVDHSIUOOUHAAQ-ZIAGYGMSSA-N 1 2 383.439 3.780 20 30 GHEDLO CCc1ccc(C#CC(=O)N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)cc1 ZINC001144928324 903189630 /nfs/dbraw/zinc/18/96/30/903189630.db2.gz ZHNJMPWOEDAISF-IBGZPJMESA-N 1 2 376.500 3.515 20 30 GHEDLO COC(=O)c1cccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c1C#N ZINC000577992134 903421832 /nfs/dbraw/zinc/42/18/32/903421832.db2.gz WKGPREKBZPYFSP-NRFANRHFSA-N 1 2 376.456 3.699 20 30 GHEDLO COC(=O)c1cccc(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c1C#N ZINC000577992134 903421843 /nfs/dbraw/zinc/42/18/43/903421843.db2.gz WKGPREKBZPYFSP-NRFANRHFSA-N 1 2 376.456 3.699 20 30 GHEDLO CC(C)c1nc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c2ccccn21 ZINC000578539825 903944000 /nfs/dbraw/zinc/94/40/00/903944000.db2.gz FFUMDCMVKSRMTJ-LJQANCHMSA-N 1 2 387.487 3.615 20 30 GHEDLO C=CCC1(O)CCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1 ZINC000888029828 904172319 /nfs/dbraw/zinc/17/23/19/904172319.db2.gz MKORKAUCGMXLIP-UHFFFAOYSA-N 1 2 380.492 3.821 20 30 GHEDLO C#CCSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(OC(F)F)cc1 ZINC000779114884 904299948 /nfs/dbraw/zinc/29/99/48/904299948.db2.gz VPRZSWKLUNKNGK-UHFFFAOYSA-N 1 2 378.448 3.580 20 30 GHEDLO CC(C)(C)OC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC001171735426 905018902 /nfs/dbraw/zinc/01/89/02/905018902.db2.gz UBXGEJOWCHDHOP-INIZCTEOSA-N 1 2 391.899 3.736 20 30 GHEDLO CC(C)(C)OC(=O)C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC001171735426 905018919 /nfs/dbraw/zinc/01/89/19/905018919.db2.gz UBXGEJOWCHDHOP-INIZCTEOSA-N 1 2 391.899 3.736 20 30 GHEDLO CCc1nc([C@@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)cs1 ZINC000174079123 905197538 /nfs/dbraw/zinc/19/75/38/905197538.db2.gz DXYKQZLMDKHTOA-CABCVRRESA-N 1 2 386.521 3.700 20 30 GHEDLO C=CC(C)(C)CCNC(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000627686498 905702506 /nfs/dbraw/zinc/70/25/06/905702506.db2.gz NXILYSGEIMRPFQ-UHFFFAOYSA-N 1 2 380.492 3.543 20 30 GHEDLO CCCC[N@H+](CCC#N)[C@@H]1C[C@@H](C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C1 ZINC001172696528 905744486 /nfs/dbraw/zinc/74/44/86/905744486.db2.gz DIYDSCVWEMILGG-SJORKVTESA-N 1 2 395.544 3.722 20 30 GHEDLO CCCC[N@@H+](CCC#N)[C@@H]1C[C@@H](C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C1 ZINC001172696528 905744500 /nfs/dbraw/zinc/74/45/00/905744500.db2.gz DIYDSCVWEMILGG-SJORKVTESA-N 1 2 395.544 3.722 20 30 GHEDLO CC(C)(C)c1ncsc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000176468132 905850195 /nfs/dbraw/zinc/85/01/95/905850195.db2.gz DQLNEMBRRQOOBN-UHFFFAOYSA-N 1 2 382.533 3.660 20 30 GHEDLO CC(C)(C)c1ncsc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000176468132 905850201 /nfs/dbraw/zinc/85/02/01/905850201.db2.gz DQLNEMBRRQOOBN-UHFFFAOYSA-N 1 2 382.533 3.660 20 30 GHEDLO Cc1ccc(C[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C(C)C)s1 ZINC000299159121 921228978 /nfs/dbraw/zinc/22/89/78/921228978.db2.gz KDQFSBAOQKICRR-QGZVFWFLSA-N 1 2 394.500 3.792 20 30 GHEDLO Cc1ccc(C[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C(C)C)s1 ZINC000299159121 921228981 /nfs/dbraw/zinc/22/89/81/921228981.db2.gz KDQFSBAOQKICRR-QGZVFWFLSA-N 1 2 394.500 3.792 20 30 GHEDLO C=CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@]2(CC)c1cccc(Nc2cc[nH+]c3[nH]ccc32)c1 ZINC001174412201 907043843 /nfs/dbraw/zinc/04/38/43/907043843.db2.gz JPCVXDCJQKZZFL-BBIADKPPSA-N 1 2 386.455 3.707 20 30 GHEDLO N#Cc1ccc(Oc2cccc(Nc3cnn(CC[NH+]4CCOCC4)c3)c2)cc1 ZINC001174494948 907051820 /nfs/dbraw/zinc/05/18/20/907051820.db2.gz YAQLIFGRMKRNDJ-UHFFFAOYSA-N 1 2 389.459 3.623 20 30 GHEDLO CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3ccc(C#N)cc3)c[nH+]2)CC1 ZINC001174453941 907059479 /nfs/dbraw/zinc/05/94/79/907059479.db2.gz VKLHWMJMHHZNDX-UHFFFAOYSA-N 1 2 379.464 3.754 20 30 GHEDLO COC(=O)[C@]1(C)C[C@H](OC)C[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC001175250154 907452885 /nfs/dbraw/zinc/45/28/85/907452885.db2.gz NZZMRIZBPNYSAR-GMAHTHKFSA-N 1 2 392.499 3.539 20 30 GHEDLO COC(=O)[C@]1(C)C[C@H](OC)C[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC001175250154 907452894 /nfs/dbraw/zinc/45/28/94/907452894.db2.gz NZZMRIZBPNYSAR-GMAHTHKFSA-N 1 2 392.499 3.539 20 30 GHEDLO CN(C)c1ccc(Nc2ccc(I)c(F)c2C#N)c[nH+]1 ZINC001175346290 907485346 /nfs/dbraw/zinc/48/53/46/907485346.db2.gz QPPUXURLCHGJRV-UHFFFAOYSA-N 1 2 382.180 3.507 20 30 GHEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc3c(C)nn(-c4ccccc4C)c3s2)C1 ZINC001177758470 908740721 /nfs/dbraw/zinc/74/07/21/908740721.db2.gz AJSPSIOSGARTEJ-QGZVFWFLSA-N 1 2 392.528 3.531 20 30 GHEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c(C)nn(-c4ccccc4C)c3s2)C1 ZINC001177758470 908740731 /nfs/dbraw/zinc/74/07/31/908740731.db2.gz AJSPSIOSGARTEJ-QGZVFWFLSA-N 1 2 392.528 3.531 20 30 GHEDLO C=CCOc1ccccc1[C@@H](C)NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC001187451132 915258781 /nfs/dbraw/zinc/25/87/81/915258781.db2.gz ZATPJZJLJOOGSY-GOSISDBHSA-N 1 2 380.488 3.575 20 30 GHEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Br)ccc1F ZINC001275715502 916302005 /nfs/dbraw/zinc/30/20/05/916302005.db2.gz UAFDMEWDMZUXHT-IAGOWNOFSA-N 1 2 381.289 3.730 20 30 GHEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(Br)ccc1F ZINC001275715502 916302026 /nfs/dbraw/zinc/30/20/26/916302026.db2.gz UAFDMEWDMZUXHT-IAGOWNOFSA-N 1 2 381.289 3.730 20 30 GHEDLO Cc1ccccc1[C@H](O)C1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000796417675 916801438 /nfs/dbraw/zinc/80/14/38/916801438.db2.gz MKKBERVIMAIQJB-JOCHJYFZSA-N 1 2 397.906 3.904 20 30 GHEDLO C=CCOc1ccc(CC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000296145055 917903098 /nfs/dbraw/zinc/90/30/98/917903098.db2.gz GMOHGZTWYIAEFC-UHFFFAOYSA-N 1 2 379.504 3.733 20 30 GHEDLO Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364469174 919490907 /nfs/dbraw/zinc/49/09/07/919490907.db2.gz YKSZTKVKLRQFOG-LJQANCHMSA-N 1 2 388.446 3.998 20 30 GHEDLO N#Cc1cnc(N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)c(Cl)c1 ZINC000116715498 919516989 /nfs/dbraw/zinc/51/69/89/919516989.db2.gz NOJUMAMRMGRXRE-UHFFFAOYSA-N 1 2 396.800 3.827 20 30 GHEDLO CSc1ccccc1NC(=O)CC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000367129553 921935933 /nfs/dbraw/zinc/93/59/33/921935933.db2.gz UDEGGFMZDWPJMX-IBGZPJMESA-N 1 2 381.501 3.682 20 30 GHEDLO CSc1ccccc1NC(=O)CC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000367129553 921935945 /nfs/dbraw/zinc/93/59/45/921935945.db2.gz UDEGGFMZDWPJMX-IBGZPJMESA-N 1 2 381.501 3.682 20 30 GHEDLO Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000903263342 922890261 /nfs/dbraw/zinc/89/02/61/922890261.db2.gz MIWXXAJXYYUACT-GFCCVEGCSA-N 1 2 387.509 3.594 20 30 GHEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC#Cc1cccc(C(F)(F)F)c1)C2 ZINC000369583901 923458807 /nfs/dbraw/zinc/45/88/07/923458807.db2.gz CULKRLNCGWIPLP-OAHLLOKOSA-N 1 2 389.421 3.825 20 30 GHEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC#Cc1cccc(C(F)(F)F)c1)CC2 ZINC000369583901 923458819 /nfs/dbraw/zinc/45/88/19/923458819.db2.gz CULKRLNCGWIPLP-OAHLLOKOSA-N 1 2 389.421 3.825 20 30 GHEDLO C[C@@H](NC(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1)c1cccc2ccccc21 ZINC000370306433 924022646 /nfs/dbraw/zinc/02/26/46/924022646.db2.gz AXFMZWDJZFXNOE-LJQANCHMSA-N 1 2 398.510 3.969 20 30 GHEDLO C=C(C)[C@@H](CC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1)OCC ZINC000677297861 924318369 /nfs/dbraw/zinc/31/83/69/924318369.db2.gz RKMSHUFFRPDHBV-GOSISDBHSA-N 1 2 384.442 3.721 20 30 GHEDLO C=CCOCCC[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000827237168 925084728 /nfs/dbraw/zinc/08/47/28/925084728.db2.gz MTMINZCPCWEZPK-UHFFFAOYSA-N 1 2 379.092 3.600 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@](OC)(C(F)(F)F)C1 ZINC000682039921 925989613 /nfs/dbraw/zinc/98/96/13/925989613.db2.gz JFUBDXYPGGJUFY-RHSMWYFYSA-N 1 2 390.471 3.695 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@](OC)(C(F)(F)F)C1 ZINC000682039921 925989621 /nfs/dbraw/zinc/98/96/21/925989621.db2.gz JFUBDXYPGGJUFY-RHSMWYFYSA-N 1 2 390.471 3.695 20 30 GHEDLO C=CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000411195924 926194951 /nfs/dbraw/zinc/19/49/51/926194951.db2.gz TWWHEKGRDSGBDF-QGZVFWFLSA-N 1 2 391.471 3.735 20 30 GHEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000411195924 926194969 /nfs/dbraw/zinc/19/49/69/926194969.db2.gz TWWHEKGRDSGBDF-QGZVFWFLSA-N 1 2 391.471 3.735 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)c1C ZINC000749476905 927123429 /nfs/dbraw/zinc/12/34/29/927123429.db2.gz ZGIYVWOORSJNDZ-QAPCUYQASA-N 1 2 389.540 3.851 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)c1C ZINC000749476905 927123435 /nfs/dbraw/zinc/12/34/35/927123435.db2.gz ZGIYVWOORSJNDZ-QAPCUYQASA-N 1 2 389.540 3.851 20 30 GHEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000413088184 928189655 /nfs/dbraw/zinc/18/96/55/928189655.db2.gz WMUUUKHLAMXLNO-QFIPXVFZSA-N 1 2 388.515 3.961 20 30 GHEDLO COc1c(C)c[nH+]c(CNC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c1C ZINC000752008874 928549711 /nfs/dbraw/zinc/54/97/11/928549711.db2.gz AFGKSMTZGOFMAF-QUCCMNQESA-N 1 2 378.476 3.688 20 30 GHEDLO CCOC(=O)Nc1ccc(NC(=O)Nc2ccc3[nH+]c(C)cn3c2)cc1C#N ZINC000752224961 928698393 /nfs/dbraw/zinc/69/83/93/928698393.db2.gz JITNOQXNLPWCQU-UHFFFAOYSA-N 1 2 378.392 3.727 20 30 GHEDLO NC(=[NH+]OCc1cccc(-n2cccn2)c1)c1ccc(OCc2cccnc2)cc1 ZINC000758759602 930160096 /nfs/dbraw/zinc/16/00/96/930160096.db2.gz FEFISJOXKWACNF-UHFFFAOYSA-N 1 2 399.454 3.683 20 30 GHEDLO COc1cc(CNc2cc(CC#N)cc[nH+]2)ccc1OCc1c(C)noc1C ZINC000547340430 930933508 /nfs/dbraw/zinc/93/35/08/930933508.db2.gz NHDHIYZYUVSAHS-UHFFFAOYSA-N 1 2 378.432 3.952 20 30 GHEDLO S=C1N=NC(CSc2ccccc2)N1N=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000782241211 931136013 /nfs/dbraw/zinc/13/60/13/931136013.db2.gz QBJMRYRHJJOCAD-UHFFFAOYSA-N 1 2 392.513 3.927 20 30 GHEDLO CCS(=O)(=O)Nc1ccc(C(=O)/C=C/c2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000783706483 931623701 /nfs/dbraw/zinc/62/37/01/931623701.db2.gz HXRVIAWKWGINHZ-BQYQJAHWSA-N 1 2 387.486 3.592 20 30 GHEDLO N#Cc1ccc(COC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(Cl)c1 ZINC000784228651 931825862 /nfs/dbraw/zinc/82/58/62/931825862.db2.gz NQTGLDFYANXUBN-IBGZPJMESA-N 1 2 384.863 3.546 20 30 GHEDLO N#Cc1ccc(COC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(Cl)c1 ZINC000784228651 931825868 /nfs/dbraw/zinc/82/58/68/931825868.db2.gz NQTGLDFYANXUBN-IBGZPJMESA-N 1 2 384.863 3.546 20 30 GHEDLO C#CCOc1ccc(C(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)cc1 ZINC000797700575 932374250 /nfs/dbraw/zinc/37/42/50/932374250.db2.gz UKDLZPDBKALGSL-UHFFFAOYSA-N 1 2 393.874 3.891 20 30 GHEDLO CSc1nc(C2CC2)cc(C(=O)N2CCC(Nc3cccc[nH+]3)CC2)c1C#N ZINC000927098497 932411062 /nfs/dbraw/zinc/41/10/62/932411062.db2.gz DXUMEAVIFAKZHL-UHFFFAOYSA-N 1 2 393.516 3.664 20 30 GHEDLO Cc1cc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)ccc1Br ZINC000798274185 932587930 /nfs/dbraw/zinc/58/79/30/932587930.db2.gz WGQGWAOODNARBO-ZBFHGGJFSA-N 1 2 394.313 3.606 20 30 GHEDLO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cc(Cl)cc(C#N)c1 ZINC000929247336 933302122 /nfs/dbraw/zinc/30/21/22/933302122.db2.gz PYTRZJKARYCKDB-UHFFFAOYSA-N 1 2 384.867 3.631 20 30 GHEDLO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cc(Cl)cc(C#N)c1 ZINC000929247336 933302140 /nfs/dbraw/zinc/30/21/40/933302140.db2.gz PYTRZJKARYCKDB-UHFFFAOYSA-N 1 2 384.867 3.631 20 30 GHEDLO CC(C)CC(=O)N1CC[NH+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC001116441212 933559759 /nfs/dbraw/zinc/55/97/59/933559759.db2.gz OQYSGPXAGRABIN-UHFFFAOYSA-N 1 2 391.515 3.828 20 30 GHEDLO C=C[C@H](COC)[NH2+][C@H](C)c1cc(Br)cc(Br)c1O ZINC001116619955 933668708 /nfs/dbraw/zinc/66/87/08/933668708.db2.gz CDPPNZLLKVNLOF-PSASIEDQSA-N 1 2 379.092 3.769 20 30 GHEDLO CC(C)C[C@H](c1nnc(N(C)[C@H](C)c2cccc(C#N)c2)n1C)n1cc[nH+]c1 ZINC001121406165 934648111 /nfs/dbraw/zinc/64/81/11/934648111.db2.gz BURATAMQFHAGTN-VQIMIIECSA-N 1 2 377.496 3.716 20 30 GHEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC[C@@H]1c1ccsc1 ZINC001121495730 934674272 /nfs/dbraw/zinc/67/42/72/934674272.db2.gz PCNCUSQTWSESNO-MSOLQXFVSA-N 1 2 387.553 3.649 20 30 GHEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC[C@@H]1c1ccsc1 ZINC001121495730 934674278 /nfs/dbraw/zinc/67/42/78/934674278.db2.gz PCNCUSQTWSESNO-MSOLQXFVSA-N 1 2 387.553 3.649 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC001121510558 934679571 /nfs/dbraw/zinc/67/95/71/934679571.db2.gz YJFDQSZFEDNNTO-NJAFHUGGSA-N 1 2 387.553 3.649 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC001121510558 934679576 /nfs/dbraw/zinc/67/95/76/934679576.db2.gz YJFDQSZFEDNNTO-NJAFHUGGSA-N 1 2 387.553 3.649 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@H](Cc2nccs2)C1 ZINC001121510540 934679701 /nfs/dbraw/zinc/67/97/01/934679701.db2.gz YDMZBEFANXQIAL-SJORKVTESA-N 1 2 386.569 3.537 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@H](Cc2nccs2)C1 ZINC001121510540 934679705 /nfs/dbraw/zinc/67/97/05/934679705.db2.gz YDMZBEFANXQIAL-SJORKVTESA-N 1 2 386.569 3.537 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)Cc1ccccc1SC ZINC001121712509 934745434 /nfs/dbraw/zinc/74/54/34/934745434.db2.gz MUIBTNZTKQMXCA-UHFFFAOYSA-N 1 2 398.580 3.749 20 30 GHEDLO CC(C)c1ccc(-c2noc(C[N@@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)n2)cc1 ZINC000562379132 934842327 /nfs/dbraw/zinc/84/23/27/934842327.db2.gz MBJQNAAAGHPNKT-LJQANCHMSA-N 1 2 389.459 3.780 20 30 GHEDLO CC(C)c1ccc(-c2noc(C[N@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)n2)cc1 ZINC000562379132 934842335 /nfs/dbraw/zinc/84/23/35/934842335.db2.gz MBJQNAAAGHPNKT-LJQANCHMSA-N 1 2 389.459 3.780 20 30 GHEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)CCc1cccs1 ZINC001122529978 934891052 /nfs/dbraw/zinc/89/10/52/934891052.db2.gz UJJLPQBIEINEHU-UHFFFAOYSA-N 1 2 398.580 3.688 20 30 GHEDLO C=CCC[C@@H]1CCCN1c1nnc(C2CC[NH+](CCC#N)CC2)n1CC1CC1 ZINC001123632559 935242112 /nfs/dbraw/zinc/24/21/12/935242112.db2.gz CZPORBBWKRQEOY-HXUWFJFHSA-N 1 2 382.556 3.716 20 30 GHEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1cc(CCCCCC)cs1)C2 ZINC001276819368 1032320203 /nfs/dbraw/zinc/32/02/03/1032320203.db2.gz UVLAPSUOEYJOIP-UHFFFAOYSA-N 1 2 376.566 3.860 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2cc(O)c(C)cc2Br)C1=O ZINC001277215917 1032448019 /nfs/dbraw/zinc/44/80/19/1032448019.db2.gz WHCMLTOBRSIJSL-IBGZPJMESA-N 1 2 393.325 3.606 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2cc(O)c(C)cc2Br)C1=O ZINC001277215917 1032448025 /nfs/dbraw/zinc/44/80/25/1032448025.db2.gz WHCMLTOBRSIJSL-IBGZPJMESA-N 1 2 393.325 3.606 20 30 GHEDLO C=CCn1c(Cc2ccccc2)nnc1SCCC[NH+]1CCN(C(C)C)CC1 ZINC000559980861 1017524624 /nfs/dbraw/zinc/52/46/24/1017524624.db2.gz ZTBBOCXGTAQSGM-UHFFFAOYSA-N 1 2 399.608 3.563 20 30 GHEDLO COc1cc(C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)ccc1C#N ZINC001155838838 1032736928 /nfs/dbraw/zinc/73/69/28/1032736928.db2.gz KOBAYTDOBJZZOG-QGZVFWFLSA-N 1 2 378.476 3.625 20 30 GHEDLO COc1cc(C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)ccc1C#N ZINC001155838838 1032736943 /nfs/dbraw/zinc/73/69/43/1032736943.db2.gz KOBAYTDOBJZZOG-QGZVFWFLSA-N 1 2 378.476 3.625 20 30 GHEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000932201651 1018141668 /nfs/dbraw/zinc/14/16/68/1018141668.db2.gz QGXQAEKYZBPVAE-OAHLLOKOSA-N 1 2 386.546 3.652 20 30 GHEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000932201651 1018141679 /nfs/dbraw/zinc/14/16/79/1018141679.db2.gz QGXQAEKYZBPVAE-OAHLLOKOSA-N 1 2 386.546 3.652 20 30 GHEDLO COc1ncccc1C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932945141 1018776222 /nfs/dbraw/zinc/77/62/22/1018776222.db2.gz RQMQGLAATYMZSU-AOOOYVTPSA-N 1 2 390.274 3.693 20 30 GHEDLO COc1ncccc1C[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932945141 1018776231 /nfs/dbraw/zinc/77/62/31/1018776231.db2.gz RQMQGLAATYMZSU-AOOOYVTPSA-N 1 2 390.274 3.693 20 30 GHEDLO Cc1cc2oc(=O)cc(C[NH+]3CCN([C@@H](C#N)c4ccccc4)CC3)c2cc1C ZINC000302815104 1021126810 /nfs/dbraw/zinc/12/68/10/1021126810.db2.gz ZXNIOCTXAKMWRL-QFIPXVFZSA-N 1 2 387.483 3.792 20 30 GHEDLO Cc1nc(/C=C2\CC3(CCOCC3)C/C(=C\c3[nH]c(C)c(C)[nH+]3)C2=O)[nH]c1C ZINC000901482881 1021417937 /nfs/dbraw/zinc/41/79/37/1021417937.db2.gz XZGBEQNWZXMFQF-BEQMOXJMSA-N 1 2 380.492 3.993 20 30 GHEDLO C[C@@H](N[NH+]=Cc1sc(N2CCOCC2)nc1-c1ccccc1)C(F)(F)F ZINC000834997017 1021756809 /nfs/dbraw/zinc/75/68/09/1021756809.db2.gz XWQGSBARKOJBCT-GFCCVEGCSA-N 1 2 384.427 3.521 20 30 GHEDLO N#Cc1ccccc1N1CC[NH+](Cc2ccc(OC(F)(F)F)c(F)c2)CC1 ZINC001140882316 1022786990 /nfs/dbraw/zinc/78/69/90/1022786990.db2.gz VRCVIMJRTVQMOW-UHFFFAOYSA-N 1 2 379.357 3.918 20 30 GHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c1=S ZINC000754800752 1022903956 /nfs/dbraw/zinc/90/39/56/1022903956.db2.gz WMNPVMHINXJPCU-LJQANCHMSA-N 1 2 399.564 3.758 20 30 GHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+]2CC[C@@H](C3CCOCC3)C2)c1=S ZINC000754800752 1022903965 /nfs/dbraw/zinc/90/39/65/1022903965.db2.gz WMNPVMHINXJPCU-LJQANCHMSA-N 1 2 399.564 3.758 20 30 GHEDLO C=CCn1c(-c2ccccc2F)nn(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c1=S ZINC000756890588 1023847963 /nfs/dbraw/zinc/84/79/63/1023847963.db2.gz TTZSGWONUFCXMD-YJBOKZPZSA-N 1 2 388.512 3.865 20 30 GHEDLO C=CCn1c(-c2ccccc2F)nn(C[N@H+]2CCC[C@H]3COCC[C@@H]32)c1=S ZINC000756890588 1023847972 /nfs/dbraw/zinc/84/79/72/1023847972.db2.gz TTZSGWONUFCXMD-YJBOKZPZSA-N 1 2 388.512 3.865 20 30 GHEDLO N#Cc1cc(F)ccc1CN1CC[N@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC001141167885 1023999363 /nfs/dbraw/zinc/99/93/63/1023999363.db2.gz DDTRKUFUAMZXLI-LJQANCHMSA-N 1 2 377.385 3.946 20 30 GHEDLO N#Cc1cc(F)ccc1CN1CC[N@@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC001141167885 1023999366 /nfs/dbraw/zinc/99/93/66/1023999366.db2.gz DDTRKUFUAMZXLI-LJQANCHMSA-N 1 2 377.385 3.946 20 30 GHEDLO CCCC[N@H+](CCC#N)Cc1cc(Br)ccc1N1CCOCC1 ZINC001138667336 1025189817 /nfs/dbraw/zinc/18/98/17/1025189817.db2.gz BCKGFMQXZGIJBX-UHFFFAOYSA-N 1 2 380.330 3.801 20 30 GHEDLO CCCC[N@@H+](CCC#N)Cc1cc(Br)ccc1N1CCOCC1 ZINC001138667336 1025189821 /nfs/dbraw/zinc/18/98/21/1025189821.db2.gz BCKGFMQXZGIJBX-UHFFFAOYSA-N 1 2 380.330 3.801 20 30 GHEDLO CCOC(CCCNc1cc(/C=N/[S@](=O)C(C)(C)C)cc(C)[nH+]1)OCC ZINC001163483764 1026209344 /nfs/dbraw/zinc/20/93/44/1026209344.db2.gz PPHCGNILUJOSND-DSSLFPTQSA-N 1 2 383.558 3.862 20 30 GHEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC001139429008 1026298921 /nfs/dbraw/zinc/29/89/21/1026298921.db2.gz NUNRPMJCWPLECC-LJQANCHMSA-N 1 2 392.459 3.622 20 30 GHEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC001139429008 1026298933 /nfs/dbraw/zinc/29/89/33/1026298933.db2.gz NUNRPMJCWPLECC-LJQANCHMSA-N 1 2 392.459 3.622 20 30 GHEDLO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3cccc(Cl)c3C#N)CC2)cc1 ZINC001139692861 1026543492 /nfs/dbraw/zinc/54/34/92/1026543492.db2.gz MPSVERWQRZVVMX-UHFFFAOYSA-N 1 2 393.878 3.869 20 30 GHEDLO C[Si](C)(C)C#Cc1ccnc(N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)c1 ZINC001165693678 1026799363 /nfs/dbraw/zinc/79/93/63/1026799363.db2.gz ROPVBCCGPWAYTF-HXUWFJFHSA-N 1 2 394.595 3.570 20 30 GHEDLO CC(=O)N1CC[C@]2(c3ccccc3)CCN(c3[nH+]ccc4ccc(C#N)cc43)C[C@@H]12 ZINC001166220520 1026946735 /nfs/dbraw/zinc/94/67/35/1026946735.db2.gz ZOLJWWMVUFSYOF-NOZRDPDXSA-N 1 2 396.494 3.875 20 30 GHEDLO CC#Cc1cncc(Nc2ccc3c(c2)[nH+]c(CCCC(=O)OCC)n3C)c1 ZINC001211059014 1027770821 /nfs/dbraw/zinc/77/08/21/1027770821.db2.gz UEHLSOPOORKZAQ-UHFFFAOYSA-N 1 2 376.460 3.969 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1c(Cl)cc(C)cc1Cl)C2 ZINC001276907049 1030673561 /nfs/dbraw/zinc/67/35/61/1030673561.db2.gz AMERRLSWOUIRBP-FQEVSTJZSA-N 1 2 397.346 3.929 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1c(Cl)cc(C)cc1Cl)C2 ZINC001276907049 1030673573 /nfs/dbraw/zinc/67/35/73/1030673573.db2.gz AMERRLSWOUIRBP-FQEVSTJZSA-N 1 2 397.346 3.929 20 30 GHEDLO N#Cc1cc(Br)ccc1OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001225837254 1031640922 /nfs/dbraw/zinc/64/09/22/1031640922.db2.gz SAVIVSHPGULTKK-SFHVURJKSA-N 1 2 387.277 3.601 20 30 GHEDLO N#Cc1cc(Br)ccc1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001225837254 1031640939 /nfs/dbraw/zinc/64/09/39/1031640939.db2.gz SAVIVSHPGULTKK-SFHVURJKSA-N 1 2 387.277 3.601 20 30 GHEDLO N#Cc1cc(C[N@@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)ccc1F ZINC001205472518 1033428217 /nfs/dbraw/zinc/42/82/17/1033428217.db2.gz FJUFVTRDGZCDCB-SIKLNZKXSA-N 1 2 381.451 3.542 20 30 GHEDLO N#Cc1cc(C[N@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)ccc1F ZINC001205472518 1033428223 /nfs/dbraw/zinc/42/82/23/1033428223.db2.gz FJUFVTRDGZCDCB-SIKLNZKXSA-N 1 2 381.451 3.542 20 30 GHEDLO Cc1cc(NC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)c(C#N)cc1N(C)C ZINC001205941863 1033647555 /nfs/dbraw/zinc/64/75/55/1033647555.db2.gz GMVKQPABZVMEDW-FQEVSTJZSA-N 1 2 388.475 3.692 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2ccc(Br)c(OC)c2)C1=O ZINC001276511015 1034098974 /nfs/dbraw/zinc/09/89/74/1034098974.db2.gz OLMJUVDCLRQWBY-IBGZPJMESA-N 1 2 393.325 3.601 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(Br)c(OC)c2)C1=O ZINC001276511015 1034098988 /nfs/dbraw/zinc/09/89/88/1034098988.db2.gz OLMJUVDCLRQWBY-IBGZPJMESA-N 1 2 393.325 3.601 20 30 GHEDLO N#Cc1cc(F)c(Cl)nc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001158547614 1034145086 /nfs/dbraw/zinc/14/50/86/1034145086.db2.gz WRKSUFIJNIVTIN-HNNXBMFYSA-N 1 2 398.791 3.999 20 30 GHEDLO N#Cc1cc(F)c(Cl)nc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001158547614 1034145092 /nfs/dbraw/zinc/14/50/92/1034145092.db2.gz WRKSUFIJNIVTIN-HNNXBMFYSA-N 1 2 398.791 3.999 20 30 GHEDLO COc1ccc(Cn2cc3[nH]c([NH2+]Cc4ccc(C#N)s4)ccc-3c2=O)cc1 ZINC001159180199 1034468821 /nfs/dbraw/zinc/46/88/21/1034468821.db2.gz VYYYEMQMLSZZAB-UHFFFAOYSA-N 1 2 390.468 3.791 20 30 GHEDLO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1nc(Br)ccc1F)C2 ZINC001231940058 1034999684 /nfs/dbraw/zinc/99/96/84/1034999684.db2.gz GHYFQTIPQIOYAK-SJLPKXTDSA-N 1 2 399.304 3.557 20 30 GHEDLO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1nc(Br)ccc1F)C2 ZINC001231940058 1034999689 /nfs/dbraw/zinc/99/96/89/1034999689.db2.gz GHYFQTIPQIOYAK-SJLPKXTDSA-N 1 2 399.304 3.557 20 30 GHEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1cc(C(F)(F)F)cnc1Cl)CC2 ZINC001232007963 1035040068 /nfs/dbraw/zinc/04/00/68/1035040068.db2.gz ORMWFBRYBHYXTG-UHFFFAOYSA-N 1 2 387.833 3.897 20 30 GHEDLO Cn1nc(C(F)F)c(C[N@@H+]2CCC[C@H](Oc3ccccc3C#N)C2)c1Cl ZINC001232055462 1035067190 /nfs/dbraw/zinc/06/71/90/1035067190.db2.gz BJCFCVLOWXGBGK-ZDUSSCGKSA-N 1 2 380.826 3.926 20 30 GHEDLO Cn1nc(C(F)F)c(C[N@H+]2CCC[C@H](Oc3ccccc3C#N)C2)c1Cl ZINC001232055462 1035067197 /nfs/dbraw/zinc/06/71/97/1035067197.db2.gz BJCFCVLOWXGBGK-ZDUSSCGKSA-N 1 2 380.826 3.926 20 30 GHEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2cc(C)cc(Br)c2OC)C1=O ZINC001276630149 1035232792 /nfs/dbraw/zinc/23/27/92/1035232792.db2.gz ZNFZAXJADQCLNZ-LJQANCHMSA-N 1 2 393.325 3.519 20 30 GHEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2cc(C)cc(Br)c2OC)C1=O ZINC001276630149 1035232797 /nfs/dbraw/zinc/23/27/97/1035232797.db2.gz ZNFZAXJADQCLNZ-LJQANCHMSA-N 1 2 393.325 3.519 20 30 GHEDLO C=CCOC[C@H]1C[N@@H+](Cc2c[nH]c3c2cccc3C)Cc2nnn(CC3CC3)c21 ZINC001209483611 1035288907 /nfs/dbraw/zinc/28/89/07/1035288907.db2.gz OEODZMAQLIMDHK-LJQANCHMSA-N 1 2 391.519 3.780 20 30 GHEDLO C=CCOC[C@H]1C[N@H+](Cc2c[nH]c3c2cccc3C)Cc2nnn(CC3CC3)c21 ZINC001209483611 1035288910 /nfs/dbraw/zinc/28/89/10/1035288910.db2.gz OEODZMAQLIMDHK-LJQANCHMSA-N 1 2 391.519 3.780 20 30 GHEDLO N#Cc1ccc(NC(=S)NCc2ccc3[nH+]ccn3c2)cc1C(F)(F)F ZINC001245809910 1037009137 /nfs/dbraw/zinc/00/91/37/1037009137.db2.gz AMNCODYHLPZLJI-UHFFFAOYSA-N 1 2 375.379 3.711 20 30 GHEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)nc2)C1 ZINC001232359370 1038140409 /nfs/dbraw/zinc/14/04/09/1038140409.db2.gz FRXYFDAWBHJGKV-FQEVSTJZSA-N 1 2 381.476 3.537 20 30 GHEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)nc2)C1 ZINC001232359370 1038140416 /nfs/dbraw/zinc/14/04/16/1038140416.db2.gz FRXYFDAWBHJGKV-FQEVSTJZSA-N 1 2 381.476 3.537 20 30 GHEDLO CCOC(=O)c1sc(-c2ccc(O)c(C[N@@H+]3CCC[C@H](C#N)C3)c2)nc1C ZINC001232453333 1038235783 /nfs/dbraw/zinc/23/57/83/1038235783.db2.gz GTGRIOOIWCPZEX-CQSZACIVSA-N 1 2 385.489 3.736 20 30 GHEDLO CCOC(=O)c1sc(-c2ccc(O)c(C[N@H+]3CCC[C@H](C#N)C3)c2)nc1C ZINC001232453333 1038235794 /nfs/dbraw/zinc/23/57/94/1038235794.db2.gz GTGRIOOIWCPZEX-CQSZACIVSA-N 1 2 385.489 3.736 20 30 GHEDLO N#Cc1ccccc1N1CC[NH+](Cc2ccc(-n3cccn3)cc2Cl)CC1 ZINC001232595488 1038370235 /nfs/dbraw/zinc/37/02/35/1038370235.db2.gz BQNAJYOHONSYLF-UHFFFAOYSA-N 1 2 377.879 3.720 20 30 GHEDLO Cc1cccc(CO[C@H]2CO[C@@]3(CC[N@H+](Cc4ccc(Cl)cc4C#N)C3)C2)n1 ZINC001232607995 1038392311 /nfs/dbraw/zinc/39/23/11/1038392311.db2.gz SKSIGINNDRFSNH-YADHBBJMSA-N 1 2 397.906 3.865 20 30 GHEDLO Cc1cccc(CO[C@H]2CO[C@@]3(CC[N@@H+](Cc4ccc(Cl)cc4C#N)C3)C2)n1 ZINC001232607995 1038392316 /nfs/dbraw/zinc/39/23/16/1038392316.db2.gz SKSIGINNDRFSNH-YADHBBJMSA-N 1 2 397.906 3.865 20 30 GHEDLO CC[N@@H+](Cc1ccc(Cl)cc1C#N)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001232608494 1038394940 /nfs/dbraw/zinc/39/49/40/1038394940.db2.gz KKCIRIPRVOCTTO-QFIPXVFZSA-N 1 2 383.923 3.935 20 30 GHEDLO CC[N@H+](Cc1ccc(Cl)cc1C#N)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001232608494 1038394951 /nfs/dbraw/zinc/39/49/51/1038394951.db2.gz KKCIRIPRVOCTTO-QFIPXVFZSA-N 1 2 383.923 3.935 20 30 GHEDLO CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@H+](C)Cc1cc(C#N)ccc1O ZINC001232678131 1038476184 /nfs/dbraw/zinc/47/61/84/1038476184.db2.gz QAALTFVPBRZXSA-DLVCFXQMSA-N 1 2 390.524 3.857 20 30 GHEDLO CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@@H+](C)Cc1cc(C#N)ccc1O ZINC001232678131 1038476189 /nfs/dbraw/zinc/47/61/89/1038476189.db2.gz QAALTFVPBRZXSA-DLVCFXQMSA-N 1 2 390.524 3.857 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2O)C[C@H]1C(F)(F)F ZINC001232677332 1038476596 /nfs/dbraw/zinc/47/65/96/1038476596.db2.gz AYGMVZLDUMRJAI-HUUCEWRRSA-N 1 2 399.413 3.541 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2O)C[C@H]1C(F)(F)F ZINC001232677332 1038476600 /nfs/dbraw/zinc/47/66/00/1038476600.db2.gz AYGMVZLDUMRJAI-HUUCEWRRSA-N 1 2 399.413 3.541 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@]2(CC[N@H+](Cc3cc(F)ccc3C#N)C2)C1 ZINC001232889995 1038675131 /nfs/dbraw/zinc/67/51/31/1038675131.db2.gz WJUQFEDJGRSPAB-WIYYLYMNSA-N 1 2 391.462 3.868 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@]2(CC[N@@H+](Cc3cc(F)ccc3C#N)C2)C1 ZINC001232889995 1038675135 /nfs/dbraw/zinc/67/51/35/1038675135.db2.gz WJUQFEDJGRSPAB-WIYYLYMNSA-N 1 2 391.462 3.868 20 30 GHEDLO N#Cc1cc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)ccc1Br ZINC001232893518 1038683936 /nfs/dbraw/zinc/68/39/36/1038683936.db2.gz JCAQVGWSGRLZHX-AWEZNQCLSA-N 1 2 377.204 3.600 20 30 GHEDLO N#Cc1cc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)ccc1Br ZINC001232893518 1038683942 /nfs/dbraw/zinc/68/39/42/1038683942.db2.gz JCAQVGWSGRLZHX-AWEZNQCLSA-N 1 2 377.204 3.600 20 30 GHEDLO N#Cc1cc(CN2CC[NH+](Cc3cccc(F)c3)CC2)ccc1Br ZINC001232895924 1038692064 /nfs/dbraw/zinc/69/20/64/1038692064.db2.gz WVIPQNBZSSXCSH-UHFFFAOYSA-N 1 2 388.284 3.778 20 30 GHEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1C[C@H](O)CCCCCCCC ZINC001252127173 1038879126 /nfs/dbraw/zinc/87/91/26/1038879126.db2.gz XZRPXOAAYKNVAR-QUCCMNQESA-N 1 2 378.561 3.511 20 30 GHEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1C[C@H](O)CCCCCCCC ZINC001252127173 1038879135 /nfs/dbraw/zinc/87/91/35/1038879135.db2.gz XZRPXOAAYKNVAR-QUCCMNQESA-N 1 2 378.561 3.511 20 30 GHEDLO C=C[C@@](C)(O)C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccc(Cl)cc1 ZINC001252554506 1039030420 /nfs/dbraw/zinc/03/04/20/1039030420.db2.gz HYNXGPIBMZIBRJ-FXAWDEMLSA-N 1 2 380.916 3.871 20 30 GHEDLO C=C[C@@](C)(O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccc(Cl)cc1 ZINC001252554506 1039030439 /nfs/dbraw/zinc/03/04/39/1039030439.db2.gz HYNXGPIBMZIBRJ-FXAWDEMLSA-N 1 2 380.916 3.871 20 30 GHEDLO N#Cc1c(Cl)cccc1C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)Cc1ccsc1 ZINC001278686378 1039245343 /nfs/dbraw/zinc/24/53/43/1039245343.db2.gz FCHNDBHFSRBQQB-OALUTQOASA-N 1 2 385.920 3.691 20 30 GHEDLO N#Cc1c(Cl)cccc1C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)Cc1ccsc1 ZINC001278686378 1039245356 /nfs/dbraw/zinc/24/53/56/1039245356.db2.gz FCHNDBHFSRBQQB-OALUTQOASA-N 1 2 385.920 3.691 20 30 GHEDLO CCCCCCCCCC[C@H](O)C[N@@H+]1CCc2c(nnn2CC)[C@H]1COC ZINC001252978360 1039307026 /nfs/dbraw/zinc/30/70/26/1039307026.db2.gz ADWMJAKOAIVRFM-AZUAARDMSA-N 1 2 380.577 3.735 20 30 GHEDLO CCCCCCCCCC[C@H](O)C[N@H+]1CCc2c(nnn2CC)[C@H]1COC ZINC001252978360 1039307047 /nfs/dbraw/zinc/30/70/47/1039307047.db2.gz ADWMJAKOAIVRFM-AZUAARDMSA-N 1 2 380.577 3.735 20 30 GHEDLO CC1(C)C[N@H+](Cc2ccccc2)C[C@H](COc2ccccc2C(=O)CC#N)O1 ZINC001233531659 1039417803 /nfs/dbraw/zinc/41/78/03/1039417803.db2.gz URCOAXZNWRFTNE-LJQANCHMSA-N 1 2 378.472 3.841 20 30 GHEDLO CC1(C)C[N@@H+](Cc2ccccc2)C[C@H](COc2ccccc2C(=O)CC#N)O1 ZINC001233531659 1039417808 /nfs/dbraw/zinc/41/78/08/1039417808.db2.gz URCOAXZNWRFTNE-LJQANCHMSA-N 1 2 378.472 3.841 20 30 GHEDLO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]Cc1ccn[nH]1 ZINC001253614436 1039723072 /nfs/dbraw/zinc/72/30/72/1039723072.db2.gz ONXRVOAYVSHFEN-NRFANRHFSA-N 1 2 383.577 3.814 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC001254356817 1040189834 /nfs/dbraw/zinc/18/98/34/1040189834.db2.gz YGYKOVOMUUKKNM-FQEVSTJZSA-N 1 2 399.560 3.655 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC001254356817 1040189846 /nfs/dbraw/zinc/18/98/46/1040189846.db2.gz YGYKOVOMUUKKNM-FQEVSTJZSA-N 1 2 399.560 3.655 20 30 GHEDLO N#CCc1ccccc1C[N@H+]1Cc2ncn(CC3CC3)c2[C@@H](COCC2CC2)C1 ZINC001235513661 1040970418 /nfs/dbraw/zinc/97/04/18/1040970418.db2.gz KMWYFGONCXDLGE-JOCHJYFZSA-N 1 2 390.531 3.885 20 30 GHEDLO N#CCc1ccccc1C[N@@H+]1Cc2ncn(CC3CC3)c2[C@@H](COCC2CC2)C1 ZINC001235513661 1040970423 /nfs/dbraw/zinc/97/04/23/1040970423.db2.gz KMWYFGONCXDLGE-JOCHJYFZSA-N 1 2 390.531 3.885 20 30 GHEDLO N#Cc1c(F)cccc1C[NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC001462509444 1070312216 /nfs/dbraw/zinc/31/22/16/1070312216.db2.gz RTXMZZLSQRCXTE-KRWDZBQOSA-N 1 2 377.341 3.611 20 30 GHEDLO C=CCOC(=O)[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255702538 1041224703 /nfs/dbraw/zinc/22/47/03/1041224703.db2.gz ZLKMEWUAAARGCK-MJBXVCDLSA-N 1 2 379.419 3.527 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(O)cc(Br)c1 ZINC001278030549 1041966285 /nfs/dbraw/zinc/96/62/85/1041966285.db2.gz MLCQDNFRVPFHOC-IBGZPJMESA-N 1 2 393.325 3.688 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(O)cc(Br)c1 ZINC001278030549 1041966287 /nfs/dbraw/zinc/96/62/87/1041966287.db2.gz MLCQDNFRVPFHOC-IBGZPJMESA-N 1 2 393.325 3.688 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1cncc(-c2ccc(F)cc2)c1 ZINC001237003840 1041986656 /nfs/dbraw/zinc/98/66/56/1041986656.db2.gz IEKIHDHVQCNCIO-QFIPXVFZSA-N 1 2 392.478 3.923 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1cncc(-c2ccc(F)cc2)c1 ZINC001237003840 1041986657 /nfs/dbraw/zinc/98/66/57/1041986657.db2.gz IEKIHDHVQCNCIO-QFIPXVFZSA-N 1 2 392.478 3.923 20 30 GHEDLO CCOC(=O)c1nc(C[N@@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)sc1C ZINC001237229291 1042096948 /nfs/dbraw/zinc/09/69/48/1042096948.db2.gz MGGLUJZGYONJDO-KRWDZBQOSA-N 1 2 385.489 3.543 20 30 GHEDLO CCOC(=O)c1nc(C[N@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)sc1C ZINC001237229291 1042096953 /nfs/dbraw/zinc/09/69/53/1042096953.db2.gz MGGLUJZGYONJDO-KRWDZBQOSA-N 1 2 385.489 3.543 20 30 GHEDLO N#Cc1cc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)c(F)cc1F ZINC001237529347 1042252732 /nfs/dbraw/zinc/25/27/32/1042252732.db2.gz ZALYPXFCRMWMLR-IFMALSPDSA-N 1 2 399.441 3.682 20 30 GHEDLO N#Cc1cc(C[N@H+]2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)c(F)cc1F ZINC001237529347 1042252733 /nfs/dbraw/zinc/25/27/33/1042252733.db2.gz ZALYPXFCRMWMLR-IFMALSPDSA-N 1 2 399.441 3.682 20 30 GHEDLO CC(C)(C)OC(=O)NC[C@@]1(C)CCC[N@H+](Cc2cc(C#N)c(F)cc2F)C1 ZINC001237531940 1042253241 /nfs/dbraw/zinc/25/32/41/1042253241.db2.gz SWJQGTVWAXTDMF-HXUWFJFHSA-N 1 2 379.451 3.963 20 30 GHEDLO CC(C)(C)OC(=O)NC[C@@]1(C)CCC[N@@H+](Cc2cc(C#N)c(F)cc2F)C1 ZINC001237531940 1042253247 /nfs/dbraw/zinc/25/32/47/1042253247.db2.gz SWJQGTVWAXTDMF-HXUWFJFHSA-N 1 2 379.451 3.963 20 30 GHEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)Cc1ccsc1 ZINC001278315654 1042940657 /nfs/dbraw/zinc/94/06/57/1042940657.db2.gz XPSURPACGBGDIX-OALUTQOASA-N 1 2 385.920 3.691 20 30 GHEDLO N#Cc1cccc(Cl)c1C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)Cc1ccsc1 ZINC001278315654 1042940662 /nfs/dbraw/zinc/94/06/62/1042940662.db2.gz XPSURPACGBGDIX-OALUTQOASA-N 1 2 385.920 3.691 20 30 GHEDLO C=CC[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](c2ccccc2)C1)C(=O)OC ZINC001256936437 1043760262 /nfs/dbraw/zinc/76/02/62/1043760262.db2.gz GAGFLXHODOIGIZ-QYZOEREBSA-N 1 2 388.508 3.835 20 30 GHEDLO COC(=O)[C@H](COCc1ccccc1)[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257012515 1043799735 /nfs/dbraw/zinc/79/97/35/1043799735.db2.gz JATVAFNPEDUIIG-VNXZQDSDSA-N 1 2 392.499 3.932 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 ZINC001262977914 1046462286 /nfs/dbraw/zinc/46/22/86/1046462286.db2.gz RKFUXRKFQYZYGN-JBACZVJFSA-N 1 2 395.551 3.662 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 ZINC001262977914 1046462289 /nfs/dbraw/zinc/46/22/89/1046462289.db2.gz RKFUXRKFQYZYGN-JBACZVJFSA-N 1 2 395.551 3.662 20 30 GHEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC001263287436 1046682651 /nfs/dbraw/zinc/68/26/51/1046682651.db2.gz IHGWKNPUKZAGIE-SFHVURJKSA-N 1 2 397.571 3.681 20 30 GHEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCC[C@H](c2cc(C(C)C)n[nH]2)C1 ZINC001263287436 1046682659 /nfs/dbraw/zinc/68/26/59/1046682659.db2.gz IHGWKNPUKZAGIE-SFHVURJKSA-N 1 2 397.571 3.681 20 30 GHEDLO CCCCCCCCNC(=S)N1CC2(C1)C[NH+](Cc1scnc1C)C2 ZINC001279925363 1047990257 /nfs/dbraw/zinc/99/02/57/1047990257.db2.gz PAHPMEAXRGUXBP-UHFFFAOYSA-N 1 2 380.627 3.804 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2CCC2(C)CC2)CC1 ZINC001286475438 1048336114 /nfs/dbraw/zinc/33/61/14/1048336114.db2.gz ADTKJGSVRSGYRQ-UHFFFAOYSA-N 1 2 383.927 3.544 20 30 GHEDLO C=CCN(CC=C)c1nnc(-c2cccnc2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001286755356 1048508369 /nfs/dbraw/zinc/50/83/69/1048508369.db2.gz VRMROPFDJRMIQQ-IBGZPJMESA-N 1 2 389.507 3.601 20 30 GHEDLO C[C@H](C#N)CN(C)c1nnc(C(C)(C)C)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001286959628 1048554080 /nfs/dbraw/zinc/55/40/80/1048554080.db2.gz HKBPTMIPYVRRGZ-QGZVFWFLSA-N 1 2 395.555 3.605 20 30 GHEDLO C[C@@H](C#N)CN(C)c1nnc(CC(C)(C)C)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001286967428 1048558604 /nfs/dbraw/zinc/55/86/04/1048558604.db2.gz GPUVRDHXTWGKPJ-KRWDZBQOSA-N 1 2 391.523 3.697 20 30 GHEDLO FC(F)(F)c1ccc(C#CC[NH+]2CCN(c3ccc(Cl)cn3)CC2)cc1 ZINC001307440753 1049276129 /nfs/dbraw/zinc/27/61/29/1049276129.db2.gz RIEJXNQETUQHCB-UHFFFAOYSA-N 1 2 379.813 3.928 20 30 GHEDLO N#Cc1c(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCO2)sc2c1CCCCC2 ZINC001308162577 1049893981 /nfs/dbraw/zinc/89/39/81/1049893981.db2.gz VUCCPDMODVFSOB-MSOLQXFVSA-N 1 2 387.549 3.861 20 30 GHEDLO N#Cc1c(NC(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2CCCO2)sc2c1CCCCC2 ZINC001308162577 1049893987 /nfs/dbraw/zinc/89/39/87/1049893987.db2.gz VUCCPDMODVFSOB-MSOLQXFVSA-N 1 2 387.549 3.861 20 30 GHEDLO Cc1nc(N2CCCCC2)sc1C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC001334243510 1051922745 /nfs/dbraw/zinc/92/27/45/1051922745.db2.gz NZEUAXZZKQOKRD-HXUWFJFHSA-N 1 2 395.576 3.824 20 30 GHEDLO CC(C)(C)OC(=O)Nc1ccsc1C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC001336813940 1052341820 /nfs/dbraw/zinc/34/18/20/1052341820.db2.gz VNDQVMUIIQGWNY-UHFFFAOYSA-N 1 2 399.520 3.684 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC(F)(F)CC1 ZINC001342298116 1053086198 /nfs/dbraw/zinc/08/61/98/1053086198.db2.gz GRQBIIFUQAJPCT-INIZCTEOSA-N 1 2 375.467 3.893 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC(F)(F)CC1 ZINC001342298116 1053086221 /nfs/dbraw/zinc/08/62/21/1053086221.db2.gz GRQBIIFUQAJPCT-INIZCTEOSA-N 1 2 375.467 3.893 20 30 GHEDLO C=CCN(Cc1ccccc1)c1nnc(C2CC[NH+](CCC#N)CC2)n1CC ZINC001342685259 1053298973 /nfs/dbraw/zinc/29/89/73/1053298973.db2.gz HNZVIDDJDODERF-UHFFFAOYSA-N 1 2 378.524 3.584 20 30 GHEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@@]1(C)c1ccccc1 ZINC001343419272 1053761038 /nfs/dbraw/zinc/76/10/38/1053761038.db2.gz KJJHIIXTOKLVGE-QFIPXVFZSA-N 1 2 376.508 3.694 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001343494051 1053809660 /nfs/dbraw/zinc/80/96/60/1053809660.db2.gz CSSWHOIKJSRFER-QZTJIDSGSA-N 1 2 386.544 3.690 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2Cc2ccccc2)nnc1N1CCC[C@H](C#N)C1 ZINC001343765554 1054008451 /nfs/dbraw/zinc/00/84/51/1054008451.db2.gz PNUIJAFILRVABV-RTWAWAEBSA-N 1 2 390.535 3.931 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2Cc2ccccc2)nnc1N1CCC[C@H](C#N)C1 ZINC001343765554 1054008460 /nfs/dbraw/zinc/00/84/60/1054008460.db2.gz PNUIJAFILRVABV-RTWAWAEBSA-N 1 2 390.535 3.931 20 30 GHEDLO CC(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)[C@@H](C)c1ccco1 ZINC001345109619 1054905493 /nfs/dbraw/zinc/90/54/93/1054905493.db2.gz HXKXSIADWAJMDJ-KRWDZBQOSA-N 1 2 384.528 3.818 20 30 GHEDLO C=CC1CCN(c2nnc([C@@H](CC(C)C)n3cc[nH+]c3)n2C[C@H]2CCCO2)CC1 ZINC001345340365 1054994728 /nfs/dbraw/zinc/99/47/28/1054994728.db2.gz MJPWQGNHZLJHDT-WOJBJXKFSA-N 1 2 398.555 3.692 20 30 GHEDLO CC[C@H]1CCCN1c1nnc(C2CC[NH+](CCC#N)CC2)n1Cc1ccccc1 ZINC001354330941 1056535425 /nfs/dbraw/zinc/53/54/25/1056535425.db2.gz SZCATEVKXNCIMU-NRFANRHFSA-N 1 2 392.551 3.798 20 30 GHEDLO N#Cc1cnc(NC[C@H](c2ccco2)[NH+]2CCCCC2)c(Br)c1 ZINC001472636597 1056587352 /nfs/dbraw/zinc/58/73/52/1056587352.db2.gz LINYTLJHORFOFF-OAHLLOKOSA-N 1 2 375.270 3.948 20 30 GHEDLO C#CCN(CC)c1nnc(CC(C)C)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001300629543 1056721221 /nfs/dbraw/zinc/72/12/21/1056721221.db2.gz YFGQAZFEFHYGTD-GOSISDBHSA-N 1 2 389.494 3.517 20 30 GHEDLO C#CCN(CC)c1nnc(CC(C)(C)C)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001300630853 1056725889 /nfs/dbraw/zinc/72/58/89/1056725889.db2.gz HUEVCVYLMNRBKD-UHFFFAOYSA-N 1 2 394.567 3.760 20 30 GHEDLO FC(F)(F)c1cc(Br)cc(C=NNCCCn2cc[nH+]c2)c1 ZINC000848417687 1057075227 /nfs/dbraw/zinc/07/52/27/1057075227.db2.gz CXDOHJNXEUMVFQ-UHFFFAOYSA-N 1 2 375.192 3.678 20 30 GHEDLO C=CCO[C@H]1CC[N@@H+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC001325224254 1057293162 /nfs/dbraw/zinc/29/31/62/1057293162.db2.gz WLDOFRCNRHFIAA-RXVVDRJESA-N 1 2 395.459 3.860 20 30 GHEDLO C=CCO[C@H]1CC[N@H+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC001325224254 1057293166 /nfs/dbraw/zinc/29/31/66/1057293166.db2.gz WLDOFRCNRHFIAA-RXVVDRJESA-N 1 2 395.459 3.860 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@H]3CCC[C@H](C(F)(F)F)C3)CC2)cc1 ZINC001440432063 1058516510 /nfs/dbraw/zinc/51/65/10/1058516510.db2.gz QZJVYJLSQXIITI-OALUTQOASA-N 1 2 393.453 3.961 20 30 GHEDLO Cn1c([C@@H]2CCCC[N@@H+]2Cc2ccccc2)nnc1N1Cc2cccc(C#N)c2C1 ZINC001338394821 1058545982 /nfs/dbraw/zinc/54/59/82/1058545982.db2.gz NGNNIKMIOWXTLS-QFIPXVFZSA-N 1 2 398.514 3.934 20 30 GHEDLO Cn1c([C@@H]2CCCC[N@H+]2Cc2ccccc2)nnc1N1Cc2cccc(C#N)c2C1 ZINC001338394821 1058546009 /nfs/dbraw/zinc/54/60/09/1058546009.db2.gz NGNNIKMIOWXTLS-QFIPXVFZSA-N 1 2 398.514 3.934 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1C[C@H](C)C[C@H]1c1ccccc1F ZINC001339091358 1058956439 /nfs/dbraw/zinc/95/64/39/1058956439.db2.gz SORJLILUKZNKQV-QAPCUYQASA-N 1 2 380.471 3.515 20 30 GHEDLO Cc1ccccc1[C@@H]1CCCN1c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001339751211 1059438723 /nfs/dbraw/zinc/43/87/23/1059438723.db2.gz YEGQEZKDGJBLGI-FQEVSTJZSA-N 1 2 378.524 3.558 20 30 GHEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N(C)C[C@H]1CCCOC1 ZINC001339773831 1059458803 /nfs/dbraw/zinc/45/88/03/1059458803.db2.gz FYXLAGATWAFYEH-UYAOXDASSA-N 1 2 383.540 3.520 20 30 GHEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N(C)C[C@H]1CCCOC1 ZINC001339773831 1059458813 /nfs/dbraw/zinc/45/88/13/1059458813.db2.gz FYXLAGATWAFYEH-UYAOXDASSA-N 1 2 383.540 3.520 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N(C)Cc1nccs1 ZINC001339775061 1059459154 /nfs/dbraw/zinc/45/91/54/1059459154.db2.gz RDFODHXXOCHBSO-INIZCTEOSA-N 1 2 382.537 3.750 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N(C)Cc1nccs1 ZINC001339775061 1059459159 /nfs/dbraw/zinc/45/91/59/1059459159.db2.gz RDFODHXXOCHBSO-INIZCTEOSA-N 1 2 382.537 3.750 20 30 GHEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@@H+]2C)nnc1N1CCC[C@@H]1c1ccc(C(C)C)cc1 ZINC001340377019 1059901050 /nfs/dbraw/zinc/90/10/50/1059901050.db2.gz ZXWNXDBHAHXXRK-NJYVYQBISA-N 1 2 395.551 3.667 20 30 GHEDLO C=CCn1c([C@@H]2C[C@@H](O)C[N@H+]2C)nnc1N1CCC[C@@H]1c1ccc(C(C)C)cc1 ZINC001340377019 1059901060 /nfs/dbraw/zinc/90/10/60/1059901060.db2.gz ZXWNXDBHAHXXRK-NJYVYQBISA-N 1 2 395.551 3.667 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2Cc2ccccc2)nnc1N1CCC(OC)CC1 ZINC001340428828 1059927272 /nfs/dbraw/zinc/92/72/72/1059927272.db2.gz SKMBJIACDLINQZ-NRFANRHFSA-N 1 2 395.551 3.807 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@H+]2Cc2ccccc2)nnc1N1CCC(OC)CC1 ZINC001340428828 1059927279 /nfs/dbraw/zinc/92/72/79/1059927279.db2.gz SKMBJIACDLINQZ-NRFANRHFSA-N 1 2 395.551 3.807 20 30 GHEDLO N#CCC1CCN(C(=O)[C@H](c2cccc(Br)c2)[NH+]2CCCC2)CC1 ZINC001447582272 1059984375 /nfs/dbraw/zinc/98/43/75/1059984375.db2.gz IFKWGVJERNXPCJ-SFHVURJKSA-N 1 2 390.325 3.738 20 30 GHEDLO N#C[C@@H](C(=O)c1cccc(C[NH+]2CCCCC2)c1)c1nc(N)c2ccccc2n1 ZINC001341831871 1060914807 /nfs/dbraw/zinc/91/48/07/1060914807.db2.gz DRTRPMHKSURGNO-IBGZPJMESA-N 1 2 385.471 3.688 20 30 GHEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC[C@H]1c1ccccc1 ZINC001342018693 1060999034 /nfs/dbraw/zinc/99/90/34/1060999034.db2.gz GIQDXIUIIJFQFD-PMACEKPBSA-N 1 2 381.524 3.587 20 30 GHEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC[C@H]1c1ccccc1 ZINC001342018693 1060999039 /nfs/dbraw/zinc/99/90/39/1060999039.db2.gz GIQDXIUIIJFQFD-PMACEKPBSA-N 1 2 381.524 3.587 20 30 GHEDLO CC(C)C[C@H](c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccccc1)n1cc[nH+]c1 ZINC001342215375 1061140902 /nfs/dbraw/zinc/14/09/02/1061140902.db2.gz KMLKJNYZWRJYKX-AZUAARDMSA-N 1 2 391.523 3.897 20 30 GHEDLO C[C@H](CCC#N)c1nnc(N2CCC(Nc3cccc[nH+]3)CC2)n1CC1CC1 ZINC001346899258 1061969361 /nfs/dbraw/zinc/96/93/61/1061969361.db2.gz DHDVIKYTZAUNNF-MRXNPFEDSA-N 1 2 379.512 3.571 20 30 GHEDLO C=CCN(c1nnc([C@@H](CC(C)C)n2cc[nH+]c2)n1C[C@@H]1CCCCO1)C1CC1 ZINC001347096296 1062111517 /nfs/dbraw/zinc/11/15/17/1062111517.db2.gz YVLCRCGDWVMTRU-VQTJNVASSA-N 1 2 398.555 3.834 20 30 GHEDLO C#CCCOc1ccc(C(=O)NCCN(Cc2ccccc2)c2cccc[nH+]2)cc1 ZINC001439109073 1064177057 /nfs/dbraw/zinc/17/70/57/1064177057.db2.gz BMOPEVMHXPYWII-UHFFFAOYSA-N 1 2 399.494 3.920 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2Cc2ccccc2)nnc1N1CCCC2(CC2)C1 ZINC001352093993 1064831145 /nfs/dbraw/zinc/83/11/45/1064831145.db2.gz PQCIPQBNTWZFCU-UHFFFAOYSA-N 1 2 388.519 3.680 20 30 GHEDLO CC(C)(C)OC(=O)NC1CCC2(CC1)C[N@H+](Cc1ccc(C#N)s1)CCO2 ZINC000933828441 1067555393 /nfs/dbraw/zinc/55/53/93/1067555393.db2.gz BXKMWLWDDAUYSO-UHFFFAOYSA-N 1 2 391.537 3.658 20 30 GHEDLO CC(C)(C)OC(=O)NC1CCC2(CC1)C[N@@H+](Cc1ccc(C#N)s1)CCO2 ZINC000933828441 1067555395 /nfs/dbraw/zinc/55/53/95/1067555395.db2.gz BXKMWLWDDAUYSO-UHFFFAOYSA-N 1 2 391.537 3.658 20 30 GHEDLO C=CCCCCn1c([C@@H](C)CC)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001359197813 1067766079 /nfs/dbraw/zinc/76/60/79/1067766079.db2.gz ANMFVXWUPRVSIL-KRWDZBQOSA-N 1 2 386.544 3.767 20 30 GHEDLO CC(C)Cc1nnc(N(C)C[C@H](C)C#N)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001359778289 1068181440 /nfs/dbraw/zinc/18/14/40/1068181440.db2.gz DTUSLGQYUQFYHD-GOSISDBHSA-N 1 2 395.555 3.506 20 30 GHEDLO N#CCc1ccsc1C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC001359969667 1068284770 /nfs/dbraw/zinc/28/47/70/1068284770.db2.gz PHIUMVQCQMECJT-UHFFFAOYSA-N 1 2 390.472 3.703 20 30 GHEDLO C=CCOc1cc(OC)ccc1C(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001470636677 1072660804 /nfs/dbraw/zinc/66/08/04/1072660804.db2.gz WDOWZNIPUHOHHI-IBGZPJMESA-N 1 2 386.879 3.700 20 30 GHEDLO CSc1ccc(CNC(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)cc1C#N ZINC001471181460 1072956085 /nfs/dbraw/zinc/95/60/85/1072956085.db2.gz XODJBYIFCCFPBT-LJQANCHMSA-N 1 2 391.500 3.717 20 30 GHEDLO C#C[C@H](NC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccc(F)cc1 ZINC001478893552 1079017301 /nfs/dbraw/zinc/01/73/01/1079017301.db2.gz ISTXVLJBTRSBFS-OUZREKFBSA-N 1 2 377.463 3.541 20 30 GHEDLO C[C@H](NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001472533032 1073536386 /nfs/dbraw/zinc/53/63/86/1073536386.db2.gz PJUDRZUMOWXJME-HTAPYJJXSA-N 1 2 385.471 3.590 20 30 GHEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCCSC[C@H]2c2ccccc2)cc1 ZINC001473759616 1074127745 /nfs/dbraw/zinc/12/77/45/1074127745.db2.gz KVSDXHBCGQKATF-FQEVSTJZSA-N 1 2 386.542 3.512 20 30 GHEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCCSC[C@H]2c2ccccc2)cc1 ZINC001473759616 1074127748 /nfs/dbraw/zinc/12/77/48/1074127748.db2.gz KVSDXHBCGQKATF-FQEVSTJZSA-N 1 2 386.542 3.512 20 30 GHEDLO COc1cccc2c(C[NH2+][C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cccc12 ZINC001474425160 1074401267 /nfs/dbraw/zinc/40/12/67/1074401267.db2.gz ZRDZKVJGAIMDHV-APWZRJJASA-N 1 2 381.476 3.697 20 30 GHEDLO C[N@@H+](Cc1cc(Cl)cc(Br)c1O)C[C@@H](O)c1cccc(C#N)c1 ZINC001474616192 1074485992 /nfs/dbraw/zinc/48/59/92/1074485992.db2.gz JWNAOUMOSGRSQE-MRXNPFEDSA-N 1 2 395.684 3.845 20 30 GHEDLO C[N@H+](Cc1cc(Cl)cc(Br)c1O)C[C@@H](O)c1cccc(C#N)c1 ZINC001474616192 1074485995 /nfs/dbraw/zinc/48/59/95/1074485995.db2.gz JWNAOUMOSGRSQE-MRXNPFEDSA-N 1 2 395.684 3.845 20 30 GHEDLO C[C@@H](CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1)n1cc[nH+]c1 ZINC000581551680 837539246 /nfs/dbraw/zinc/53/92/46/837539246.db2.gz VYRWSNYKLKQOOG-HNNXBMFYSA-N 1 2 376.464 3.828 20 30 GHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000177005364 837826556 /nfs/dbraw/zinc/82/65/56/837826556.db2.gz QQCUFZYJASTUCO-FXAWDEMLSA-N 1 2 375.428 3.793 20 30 GHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000177005364 837826565 /nfs/dbraw/zinc/82/65/65/837826565.db2.gz QQCUFZYJASTUCO-FXAWDEMLSA-N 1 2 375.428 3.793 20 30 GHEDLO Cc1cccc([C@@H](CN=Cc2cc3ccccc3[nH]c2=O)[NH+]2CCOCC2)c1 ZINC000255601966 834956199 /nfs/dbraw/zinc/95/61/99/834956199.db2.gz NEIBGFZQGQEHTR-HRXKUDGMSA-N 1 2 375.472 3.741 20 30 GHEDLO Cc1[nH+]cc(CNc2ccc(N3CCC(O)CC3)c(C#N)c2)n1-c1ccccc1 ZINC000176798769 835124357 /nfs/dbraw/zinc/12/43/57/835124357.db2.gz SKVREFSVJBVXHI-UHFFFAOYSA-N 1 2 387.487 3.626 20 30 GHEDLO N#C[C@@H](C(=O)C[N@@H+]1CCCC[C@@H]1c1ccccc1)c1nc2ccccc2c(=O)[nH]1 ZINC000273901012 835142917 /nfs/dbraw/zinc/14/29/17/835142917.db2.gz XGCGHTMDFGGYNU-AZUAARDMSA-N 1 2 386.455 3.739 20 30 GHEDLO N#C[C@@H](C(=O)C[N@H+]1CCCC[C@@H]1c1ccccc1)c1nc2ccccc2c(=O)[nH]1 ZINC000273901012 835142925 /nfs/dbraw/zinc/14/29/25/835142925.db2.gz XGCGHTMDFGGYNU-AZUAARDMSA-N 1 2 386.455 3.739 20 30 GHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)NCc1cccc(OC)c1 ZINC000512511935 844038936 /nfs/dbraw/zinc/03/89/36/844038936.db2.gz NURDOOAIYJBOEP-GOSISDBHSA-N 1 2 384.524 3.556 20 30 GHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)NCc1cccc(OC)c1 ZINC000512511935 844038945 /nfs/dbraw/zinc/03/89/45/844038945.db2.gz NURDOOAIYJBOEP-GOSISDBHSA-N 1 2 384.524 3.556 20 30 GHEDLO Cc1cc([C@H]2CCC[N@H+]2CC(=O)N[C@](C)(C#N)C(C)C)ccc1Br ZINC000430245650 835370812 /nfs/dbraw/zinc/37/08/12/835370812.db2.gz PMBNQBSHIHUFRU-IEBWSBKVSA-N 1 2 392.341 3.949 20 30 GHEDLO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)N[C@](C)(C#N)C(C)C)ccc1Br ZINC000430245650 835370820 /nfs/dbraw/zinc/37/08/20/835370820.db2.gz PMBNQBSHIHUFRU-IEBWSBKVSA-N 1 2 392.341 3.949 20 30 GHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)N1CCc2ccccc2C1 ZINC000512521633 844053810 /nfs/dbraw/zinc/05/38/10/844053810.db2.gz HVNHLDULSLYOMK-IBGZPJMESA-N 1 2 380.536 3.816 20 30 GHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)N1CCc2ccccc2C1 ZINC000512521633 844053818 /nfs/dbraw/zinc/05/38/18/844053818.db2.gz HVNHLDULSLYOMK-IBGZPJMESA-N 1 2 380.536 3.816 20 30 GHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)NCc1ccccc1OC ZINC000512521851 844053940 /nfs/dbraw/zinc/05/39/40/844053940.db2.gz KVWYQSLRHCUHPY-GOSISDBHSA-N 1 2 384.524 3.556 20 30 GHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)NCc1ccccc1OC ZINC000512521851 844053949 /nfs/dbraw/zinc/05/39/49/844053949.db2.gz KVWYQSLRHCUHPY-GOSISDBHSA-N 1 2 384.524 3.556 20 30 GHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000512526082 844067551 /nfs/dbraw/zinc/06/75/51/844067551.db2.gz CBHHXGUPORCZKM-KRWDZBQOSA-N 1 2 397.523 3.828 20 30 GHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000512526082 844067558 /nfs/dbraw/zinc/06/75/58/844067558.db2.gz CBHHXGUPORCZKM-KRWDZBQOSA-N 1 2 397.523 3.828 20 30 GHEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278641985 835677076 /nfs/dbraw/zinc/67/70/76/835677076.db2.gz DJOANWVMTWKYRI-INIZCTEOSA-N 1 2 393.491 3.922 20 30 GHEDLO C[C@]1(C#N)CCC[N@@H+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000612163306 835726592 /nfs/dbraw/zinc/72/65/92/835726592.db2.gz REORJILEYCYXFS-IEBWSBKVSA-N 1 2 379.426 3.822 20 30 GHEDLO C[C@]1(C#N)CCC[N@H+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000612163306 835726597 /nfs/dbraw/zinc/72/65/97/835726597.db2.gz REORJILEYCYXFS-IEBWSBKVSA-N 1 2 379.426 3.822 20 30 GHEDLO N#CCCC[C@@H](NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1)c1ccccc1 ZINC000431629294 835907579 /nfs/dbraw/zinc/90/75/79/835907579.db2.gz VVSYFWKSSYCYBL-HXUWFJFHSA-N 1 2 394.500 3.645 20 30 GHEDLO N#Cc1cc(-c2ccnc(Cl)n2)c(N2CCC(n3cc[nH+]c3)CC2)cc1F ZINC001167125701 836456394 /nfs/dbraw/zinc/45/63/94/836456394.db2.gz GAQPZRKLIMAHLK-UHFFFAOYSA-N 1 2 382.830 3.846 20 30 GHEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000413833809 836456820 /nfs/dbraw/zinc/45/68/20/836456820.db2.gz KYOUEJYNCAOERT-UGKGYDQZSA-N 1 2 378.520 3.657 20 30 GHEDLO Cc1cc(N)nc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)[nH+]1 ZINC000007177489 836957489 /nfs/dbraw/zinc/95/74/89/836957489.db2.gz WEKBYNMSQXHQOK-LLVKDONJSA-N 1 2 387.534 3.689 20 30 GHEDLO C#CCOc1ccccc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000249097424 836980120 /nfs/dbraw/zinc/98/01/20/836980120.db2.gz VRFUXCYYGFZJMU-AZUAARDMSA-N 1 2 385.414 3.544 20 30 GHEDLO C#CCOc1ccccc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000249097424 836980129 /nfs/dbraw/zinc/98/01/29/836980129.db2.gz VRFUXCYYGFZJMU-AZUAARDMSA-N 1 2 385.414 3.544 20 30 GHEDLO C#Cc1ccc(Nc2ccc(C(=O)N3CCN(c4cccc[nH+]4)CC3)cc2)cc1 ZINC001210114372 837317896 /nfs/dbraw/zinc/31/78/96/837317896.db2.gz CWVOCQDUKMBVPK-UHFFFAOYSA-N 1 2 382.467 3.769 20 30 GHEDLO Cc1ccc([C@H](CNc2c(C#N)cnc3c(C)cccc32)[NH+]2CCOCC2)cc1 ZINC000610273922 837332033 /nfs/dbraw/zinc/33/20/33/837332033.db2.gz CTJDJVQMHTWIFQ-QFIPXVFZSA-N 1 2 386.499 3.631 20 30 GHEDLO N#Cc1ccc(C(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cc1O ZINC000189006730 838056235 /nfs/dbraw/zinc/05/62/35/838056235.db2.gz ZRLROEJKGXMAMS-UHFFFAOYSA-N 1 2 395.462 3.792 20 30 GHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025243034 844312373 /nfs/dbraw/zinc/31/23/73/844312373.db2.gz ZNUAKADDUALNCH-ZDUSSCGKSA-N 1 2 377.366 3.916 20 30 GHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025243034 844312384 /nfs/dbraw/zinc/31/23/84/844312384.db2.gz ZNUAKADDUALNCH-ZDUSSCGKSA-N 1 2 377.366 3.916 20 30 GHEDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1nc2c(s1)CCC2 ZINC000578962921 838254042 /nfs/dbraw/zinc/25/40/42/838254042.db2.gz MZBGUHAIPSSEGG-WDEREUQCSA-N 1 2 386.546 3.731 20 30 GHEDLO C[C@H](NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)c1cccc(C#N)c1 ZINC000610323982 838451389 /nfs/dbraw/zinc/45/13/89/838451389.db2.gz JQDSUUPXYKHTBC-IRXDYDNUSA-N 1 2 378.476 3.834 20 30 GHEDLO N#Cc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)cc1O ZINC000189931547 838466021 /nfs/dbraw/zinc/46/60/21/838466021.db2.gz XXTHDCQQIIRSSJ-UHFFFAOYSA-N 1 2 390.468 3.531 20 30 GHEDLO N#Cc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)cc1O ZINC000189931547 838466027 /nfs/dbraw/zinc/46/60/27/838466027.db2.gz XXTHDCQQIIRSSJ-UHFFFAOYSA-N 1 2 390.468 3.531 20 30 GHEDLO N#CCOc1ccc(Cl)cc1CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782949835 838506260 /nfs/dbraw/zinc/50/62/60/838506260.db2.gz NMLXHSIPOJMWQH-UHFFFAOYSA-N 1 2 394.656 3.842 20 30 GHEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000328606126 839731723 /nfs/dbraw/zinc/73/17/23/839731723.db2.gz QNECTNXWTGWHEZ-FOIQADDNSA-N 1 2 397.504 3.597 20 30 GHEDLO N#Cc1ccsc1NC(=O)C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000328606126 839731732 /nfs/dbraw/zinc/73/17/32/839731732.db2.gz QNECTNXWTGWHEZ-FOIQADDNSA-N 1 2 397.504 3.597 20 30 GHEDLO C[C@@H]1C[NH+](Cc2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4[nH]3)cc2)C[C@@H](C)O1 ZINC000580732816 840083466 /nfs/dbraw/zinc/08/34/66/840083466.db2.gz KNCWJUGUJHEGGQ-GPMSIDNRSA-N 1 2 388.471 3.662 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC[C@@H]3C3CCOCC3)n2)C1 ZINC000329246776 861198273 /nfs/dbraw/zinc/19/82/73/861198273.db2.gz VWRBGEMWYANQRK-CRAIPNDOSA-N 1 2 392.569 3.812 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC[C@@H]3C3CCOCC3)n2)C1 ZINC000329246776 861198279 /nfs/dbraw/zinc/19/82/79/861198279.db2.gz VWRBGEMWYANQRK-CRAIPNDOSA-N 1 2 392.569 3.812 20 30 GHEDLO C=CCNC(=O)[C@H](C)[N@@H+](C)Cc1cccc(OC)c1OCc1ccccc1F ZINC000558734829 841649269 /nfs/dbraw/zinc/64/92/69/841649269.db2.gz FJQIXJSPSSYFBA-INIZCTEOSA-N 1 2 386.467 3.536 20 30 GHEDLO C=CCNC(=O)[C@H](C)[N@H+](C)Cc1cccc(OC)c1OCc1ccccc1F ZINC000558734829 841649277 /nfs/dbraw/zinc/64/92/77/841649277.db2.gz FJQIXJSPSSYFBA-INIZCTEOSA-N 1 2 386.467 3.536 20 30 GHEDLO C#CCOc1cccc([C@@H](C)OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000730700454 861232603 /nfs/dbraw/zinc/23/26/03/861232603.db2.gz SHKMHRSNCNZQSG-OAHLLOKOSA-N 1 2 391.383 3.711 20 30 GHEDLO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000329348828 861311200 /nfs/dbraw/zinc/31/12/00/861311200.db2.gz SJCFGFKPOFUMDG-ZIFCJYIRSA-N 1 2 396.539 3.643 20 30 GHEDLO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000329348828 861311219 /nfs/dbraw/zinc/31/12/19/861311219.db2.gz SJCFGFKPOFUMDG-ZIFCJYIRSA-N 1 2 396.539 3.643 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](Cc3cnc(-c4ccncc4)s3)CC2)c(F)c1 ZINC000512197472 843048124 /nfs/dbraw/zinc/04/81/24/843048124.db2.gz QOGRKIZQXYAPMB-UHFFFAOYSA-N 1 2 379.464 3.538 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[C@@H](C(C)(C)C)[C@H](O)C3)n2)C1 ZINC000329404330 861377704 /nfs/dbraw/zinc/37/77/04/861377704.db2.gz CHWBDUCQRAIZJM-DJIMGWMZSA-N 1 2 394.585 3.649 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[C@@H](C(C)(C)C)[C@H](O)C3)n2)C1 ZINC000329404330 861377712 /nfs/dbraw/zinc/37/77/12/861377712.db2.gz CHWBDUCQRAIZJM-DJIMGWMZSA-N 1 2 394.585 3.649 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000512214325 843104283 /nfs/dbraw/zinc/10/42/83/843104283.db2.gz RRECVKIEISOFHQ-ZDUSSCGKSA-N 1 2 380.847 3.970 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000512214325 843104289 /nfs/dbraw/zinc/10/42/89/843104289.db2.gz RRECVKIEISOFHQ-ZDUSSCGKSA-N 1 2 380.847 3.970 20 30 GHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H]1c1ccccc1Br ZINC000610676196 843506740 /nfs/dbraw/zinc/50/67/40/843506740.db2.gz DVWVZHLXSIJCRQ-FUHWJXTLSA-N 1 2 378.314 3.640 20 30 GHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H]1c1ccccc1Br ZINC000610676196 843506749 /nfs/dbraw/zinc/50/67/49/843506749.db2.gz DVWVZHLXSIJCRQ-FUHWJXTLSA-N 1 2 378.314 3.640 20 30 GHEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCc2ccc(C#N)s2)c(C)c1 ZINC000568983725 843723691 /nfs/dbraw/zinc/72/36/91/843723691.db2.gz LCOHTZPJMWELQW-LJQANCHMSA-N 1 2 379.489 3.674 20 30 GHEDLO CC1CC[NH+](Cc2csc(NC(=O)CSc3ccc(C#N)cc3)n2)CC1 ZINC000555671951 861528742 /nfs/dbraw/zinc/52/87/42/861528742.db2.gz NRLLVSVDKWXROC-UHFFFAOYSA-N 1 2 386.546 3.977 20 30 GHEDLO C=CCn1c(SCCn2cc[nH+]c2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000215733326 845109702 /nfs/dbraw/zinc/10/97/02/845109702.db2.gz OGQGVKCOBPXMPP-CYBMUJFWSA-N 1 2 386.546 3.758 20 30 GHEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H]2c2ccc(OC)cc2OC)c1C#N ZINC000555678763 861544604 /nfs/dbraw/zinc/54/46/04/861544604.db2.gz CNYVOMSVZKKZRI-HXUWFJFHSA-N 1 2 380.444 3.699 20 30 GHEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@@H]2c2ccc(OC)cc2OC)c1C#N ZINC000555678763 861544612 /nfs/dbraw/zinc/54/46/12/861544612.db2.gz CNYVOMSVZKKZRI-HXUWFJFHSA-N 1 2 380.444 3.699 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCOCC3(CCCC3)C2)c1C#N ZINC000614222806 845288818 /nfs/dbraw/zinc/28/88/18/845288818.db2.gz FLNPECMXHMIHFU-UHFFFAOYSA-N 1 2 398.551 3.923 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCOCC3(CCCC3)C2)c1C#N ZINC000614222806 845288820 /nfs/dbraw/zinc/28/88/20/845288820.db2.gz FLNPECMXHMIHFU-UHFFFAOYSA-N 1 2 398.551 3.923 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCCN(c3ccccc3F)CC2)cc1Cl ZINC000513367690 845293555 /nfs/dbraw/zinc/29/35/55/845293555.db2.gz RGMYOLMLHMGFEC-UHFFFAOYSA-N 1 2 386.858 3.502 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCCN(c3ccccc3F)CC2)cc1Cl ZINC000513367690 845293568 /nfs/dbraw/zinc/29/35/68/845293568.db2.gz RGMYOLMLHMGFEC-UHFFFAOYSA-N 1 2 386.858 3.502 20 30 GHEDLO N#Cc1ccc(N2CC[C@H]([NH+]3CCC(=Cc4cccc(F)c4)CC3)C2=O)cc1 ZINC000533826980 845418937 /nfs/dbraw/zinc/41/89/37/845418937.db2.gz ZALDZBAWWFINMO-QFIPXVFZSA-N 1 2 375.447 3.982 20 30 GHEDLO Cc1nc(N2CCN(C(=O)Nc3ncc(C4CCCCC4)s3)CC2)cc[nH+]1 ZINC000329523233 861587997 /nfs/dbraw/zinc/58/79/97/861587997.db2.gz PVNLCKJQBBKYOV-UHFFFAOYSA-N 1 2 386.525 3.657 20 30 GHEDLO N#Cc1ccccc1N1CC[NH+](Cc2ccc(F)c(OC(F)(F)F)c2)CC1 ZINC001143435441 846273920 /nfs/dbraw/zinc/27/39/20/846273920.db2.gz CBQRJNWXXYHLKN-UHFFFAOYSA-N 1 2 379.357 3.918 20 30 GHEDLO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CCC(F)(F)F)CC1 ZINC000501047205 846574331 /nfs/dbraw/zinc/57/43/31/846574331.db2.gz NHVVKSWRAULYJM-AWEZNQCLSA-N 1 2 376.220 3.584 20 30 GHEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000419617713 846686906 /nfs/dbraw/zinc/68/69/06/846686906.db2.gz VRAHUMJMEDVPMV-FQEVSTJZSA-N 1 2 380.517 3.525 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000152483885 846878564 /nfs/dbraw/zinc/87/85/64/846878564.db2.gz FRXGEZSIPTVCKS-MRXNPFEDSA-N 1 2 397.548 3.709 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000152483885 846878572 /nfs/dbraw/zinc/87/85/72/846878572.db2.gz FRXGEZSIPTVCKS-MRXNPFEDSA-N 1 2 397.548 3.709 20 30 GHEDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000329595612 861730351 /nfs/dbraw/zinc/73/03/51/861730351.db2.gz OXNFNIMKWPSNAY-CVEARBPZSA-N 1 2 376.476 3.791 20 30 GHEDLO C=C(C)COc1cccc(NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c1 ZINC000604099822 861780785 /nfs/dbraw/zinc/78/07/85/861780785.db2.gz LDDHHLCEDKBUQX-SFHVURJKSA-N 1 2 380.492 3.947 20 30 GHEDLO Cc1csc(C2([NH2+]CC(=O)N(CCC#N)c3cc(C)cc(C)c3)CCC2)n1 ZINC000545885976 847368678 /nfs/dbraw/zinc/36/86/78/847368678.db2.gz LLFSNJALENOTOD-UHFFFAOYSA-N 1 2 382.533 3.984 20 30 GHEDLO COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1C ZINC000502527539 847968567 /nfs/dbraw/zinc/96/85/67/847968567.db2.gz GRBYZYXWEKJDGE-INIZCTEOSA-N 1 2 391.471 3.650 20 30 GHEDLO COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1C ZINC000502527539 847968574 /nfs/dbraw/zinc/96/85/74/847968574.db2.gz GRBYZYXWEKJDGE-INIZCTEOSA-N 1 2 391.471 3.650 20 30 GHEDLO C=CCNC(=O)[C@H](C)Sc1nnc([C@H](C)[NH+]2CCCCC2)n1-c1ccccc1 ZINC000025744073 861916542 /nfs/dbraw/zinc/91/65/42/861916542.db2.gz MCWHMHGOSLHMGU-IRXDYDNUSA-N 1 2 399.564 3.597 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000126763950 849813253 /nfs/dbraw/zinc/81/32/53/849813253.db2.gz HUIRIAFTAJECTF-PXNSSMCTSA-N 1 2 395.528 3.778 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000126763950 849813258 /nfs/dbraw/zinc/81/32/58/849813258.db2.gz HUIRIAFTAJECTF-PXNSSMCTSA-N 1 2 395.528 3.778 20 30 GHEDLO C=CCOc1ccccc1-c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000504266419 849998658 /nfs/dbraw/zinc/99/86/58/849998658.db2.gz HUGKBSDRGQDEAH-UHFFFAOYSA-N 1 2 377.444 3.801 20 30 GHEDLO C=CCn1c(SCc2c[nH+]cn2C)nnc1-c1ccc(Br)cc1 ZINC000439546466 850080943 /nfs/dbraw/zinc/08/09/43/850080943.db2.gz JCRSYWKRIBMTQB-UHFFFAOYSA-N 1 2 390.310 3.919 20 30 GHEDLO N#Cc1ccc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1C(F)(F)F ZINC000435174875 850187624 /nfs/dbraw/zinc/18/76/24/850187624.db2.gz WWSXUNILFNJFMW-UHFFFAOYSA-N 1 2 392.362 3.564 20 30 GHEDLO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3csc(-c4ccccc4)n3)C2=O)cc1 ZINC000486883915 850188839 /nfs/dbraw/zinc/18/88/39/850188839.db2.gz KGHVHJMZRKNAMN-FQEVSTJZSA-N 1 2 388.496 3.572 20 30 GHEDLO C=CCOc1cccc(C[NH+]2CCN(Cc3nc(-c4cccs4)no3)CC2)c1 ZINC000506662272 850317150 /nfs/dbraw/zinc/31/71/50/850317150.db2.gz RCUNXTDXPYKCBZ-UHFFFAOYSA-N 1 2 396.516 3.681 20 30 GHEDLO COCC[N@H+](Cc1ccnn1C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000426516868 850519579 /nfs/dbraw/zinc/51/95/79/850519579.db2.gz XHJNKYKHGULVBF-UHFFFAOYSA-N 1 2 390.487 3.519 20 30 GHEDLO COCC[N@@H+](Cc1ccnn1C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000426516868 850519585 /nfs/dbraw/zinc/51/95/85/850519585.db2.gz XHJNKYKHGULVBF-UHFFFAOYSA-N 1 2 390.487 3.519 20 30 GHEDLO CCCc1c(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)cnn1-c1cccc(C#N)c1 ZINC000440090942 850782126 /nfs/dbraw/zinc/78/21/26/850782126.db2.gz VQRYBEKRCSHXMQ-UHFFFAOYSA-N 1 2 397.442 3.529 20 30 GHEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000760624022 851311263 /nfs/dbraw/zinc/31/12/63/851311263.db2.gz VLLUYJWLERIRAU-UHFFFAOYSA-N 1 2 377.410 3.755 20 30 GHEDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000732435202 862290507 /nfs/dbraw/zinc/29/05/07/862290507.db2.gz METITUVLUKATGS-OAQYLSRUSA-N 1 2 387.487 3.914 20 30 GHEDLO CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000505828852 851964913 /nfs/dbraw/zinc/96/49/13/851964913.db2.gz YPHFNCNGTIRSDV-FCHUYYIVSA-N 1 2 391.515 3.566 20 30 GHEDLO CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000505828852 851964917 /nfs/dbraw/zinc/96/49/17/851964917.db2.gz YPHFNCNGTIRSDV-FCHUYYIVSA-N 1 2 391.515 3.566 20 30 GHEDLO COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCCn2cc[nH+]c2)cc1 ZINC000604568887 862308762 /nfs/dbraw/zinc/30/87/62/862308762.db2.gz KVONTRNHKYKDEG-UHFFFAOYSA-N 1 2 376.416 3.975 20 30 GHEDLO Cc1nn(C)c(C)c1NC(=O)C[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000329776920 862315409 /nfs/dbraw/zinc/31/54/09/862315409.db2.gz KGVCMQQACNQNQR-UHFFFAOYSA-N 1 2 385.443 3.785 20 30 GHEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+](Cc2cccnc2)C2CC2)ccc1Cl ZINC000180750497 862315535 /nfs/dbraw/zinc/31/55/35/862315535.db2.gz UEOWJBZPIMMDGQ-UHFFFAOYSA-N 1 2 382.895 3.955 20 30 GHEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+](Cc2cccnc2)C2CC2)ccc1Cl ZINC000180750497 862315553 /nfs/dbraw/zinc/31/55/53/862315553.db2.gz UEOWJBZPIMMDGQ-UHFFFAOYSA-N 1 2 382.895 3.955 20 30 GHEDLO N#Cc1ccc(-n2ccc(NCc3c[nH+]cn3Cc3ccccc3)n2)c(Cl)c1 ZINC000438315076 852228504 /nfs/dbraw/zinc/22/85/04/852228504.db2.gz ASNQWWMYCQMIHS-UHFFFAOYSA-N 1 2 388.862 3.676 20 30 GHEDLO C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000329837914 862359717 /nfs/dbraw/zinc/35/97/17/862359717.db2.gz MFVPMQURDTYGNJ-XFQXTVEOSA-N 1 2 385.508 3.679 20 30 GHEDLO C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)[N@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000329837914 862359733 /nfs/dbraw/zinc/35/97/33/862359733.db2.gz MFVPMQURDTYGNJ-XFQXTVEOSA-N 1 2 385.508 3.679 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CCN1CC(F)(F)F ZINC000180833446 862366531 /nfs/dbraw/zinc/36/65/31/862366531.db2.gz PJPURCZEDHJANT-MRXNPFEDSA-N 1 2 391.441 3.532 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CCN1CC(F)(F)F ZINC000180833446 862366550 /nfs/dbraw/zinc/36/65/50/862366550.db2.gz PJPURCZEDHJANT-MRXNPFEDSA-N 1 2 391.441 3.532 20 30 GHEDLO C[C@H](CC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)NC(=O)c1ccccc1 ZINC000329866352 862383048 /nfs/dbraw/zinc/38/30/48/862383048.db2.gz AZRSPEBGVZUFAE-QGZVFWFLSA-N 1 2 394.519 3.709 20 30 GHEDLO CC(C)(C(=O)NCc1ccccc1Cn1cc[nH+]c1)c1cc(F)cc(C#N)c1 ZINC000505992782 852862284 /nfs/dbraw/zinc/86/22/84/852862284.db2.gz RWHJTMSJHUVSAW-UHFFFAOYSA-N 1 2 376.435 3.536 20 30 GHEDLO C=CC[N@H+](Cc1nc(-c2ccsc2)no1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000518256261 853123757 /nfs/dbraw/zinc/12/37/57/853123757.db2.gz SFJQILDFIDBIGE-AWEZNQCLSA-N 1 2 393.476 3.523 20 30 GHEDLO C=CC[N@@H+](Cc1nc(-c2ccsc2)no1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000518256261 853123765 /nfs/dbraw/zinc/12/37/65/853123765.db2.gz SFJQILDFIDBIGE-AWEZNQCLSA-N 1 2 393.476 3.523 20 30 GHEDLO N#CC1(C[NH+]2CCC(c3nc(-c4ccccc4Br)no3)CC2)CC1 ZINC000518281959 853159173 /nfs/dbraw/zinc/15/91/73/853159173.db2.gz BHVXUXIMTAFKBQ-UHFFFAOYSA-N 1 2 387.281 3.982 20 30 GHEDLO C=C[C@@](C)(CCOC)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000437627014 853332367 /nfs/dbraw/zinc/33/23/67/853332367.db2.gz GYLXHDVKQPNDJS-XLIONFOSSA-N 1 2 382.907 3.961 20 30 GHEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000518456516 853369104 /nfs/dbraw/zinc/36/91/04/853369104.db2.gz CROXMQVGQPMDRQ-MRXNPFEDSA-N 1 2 393.462 3.714 20 30 GHEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000518456516 853369111 /nfs/dbraw/zinc/36/91/11/853369111.db2.gz CROXMQVGQPMDRQ-MRXNPFEDSA-N 1 2 393.462 3.714 20 30 GHEDLO CCN(CC)C(=O)COc1ccc(C(=O)/C=C/c2c[nH+]c3ccc(C)cn23)cc1 ZINC000151390396 853379539 /nfs/dbraw/zinc/37/95/39/853379539.db2.gz OGJAALIWUOPBFR-FMIVXFBMSA-N 1 2 391.471 3.786 20 30 GHEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000517102309 853380136 /nfs/dbraw/zinc/38/01/36/853380136.db2.gz VKHBRITVPIVAHS-QFIPXVFZSA-N 1 2 388.471 3.523 20 30 GHEDLO N#Cc1ccc(CSc2ccccc2C(=O)N[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC000587050973 853633142 /nfs/dbraw/zinc/63/31/42/853633142.db2.gz GGPKDBJXVQLHGF-GOSISDBHSA-N 1 2 388.496 3.792 20 30 GHEDLO CCOc1ccc2c(c1)CC[N@H+]([C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)C2 ZINC000441092926 853908576 /nfs/dbraw/zinc/90/85/76/853908576.db2.gz PSJGXMMOWHUKGI-QGZVFWFLSA-N 1 2 395.478 3.918 20 30 GHEDLO CCOc1ccc2c(c1)CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)C2 ZINC000441092926 853908581 /nfs/dbraw/zinc/90/85/81/853908581.db2.gz PSJGXMMOWHUKGI-QGZVFWFLSA-N 1 2 395.478 3.918 20 30 GHEDLO CN1CC[NH+](Cc2cccc(NC(=O)C3CCC(NC(=O)C4CC4)CC3)c2)CC1 ZINC000330033572 862520588 /nfs/dbraw/zinc/52/05/88/862520588.db2.gz VRJROVZVBHIRLZ-UHFFFAOYSA-N 1 2 398.551 3.947 20 30 GHEDLO N#Cc1ccc(F)c(CS(=O)(=O)N(Cc2ccccc2)c2cc[nH+]cc2)c1 ZINC000164569278 854076224 /nfs/dbraw/zinc/07/62/24/854076224.db2.gz XNONDYFBPHSUKQ-UHFFFAOYSA-N 1 2 381.432 3.629 20 30 GHEDLO COc1cc(C#N)ccc1OCCN1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000441361284 854132123 /nfs/dbraw/zinc/13/21/23/854132123.db2.gz FSEQWLPVUAEKTL-KRWDZBQOSA-N 1 2 399.922 3.978 20 30 GHEDLO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000588204487 854215724 /nfs/dbraw/zinc/21/57/24/854215724.db2.gz GXEZRSGOKMWSRQ-HNNXBMFYSA-N 1 2 379.298 3.732 20 30 GHEDLO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000588204487 854215729 /nfs/dbraw/zinc/21/57/29/854215729.db2.gz GXEZRSGOKMWSRQ-HNNXBMFYSA-N 1 2 379.298 3.732 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]3COCCN3C3CCCC3)n2)C1 ZINC000330077634 862557379 /nfs/dbraw/zinc/55/73/79/862557379.db2.gz HPMZOBINCSYHEO-CRAIPNDOSA-N 1 2 392.569 3.606 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]3COCCN3C3CCCC3)n2)C1 ZINC000330077634 862557382 /nfs/dbraw/zinc/55/73/82/862557382.db2.gz HPMZOBINCSYHEO-CRAIPNDOSA-N 1 2 392.569 3.606 20 30 GHEDLO CCCNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC000050994666 854392578 /nfs/dbraw/zinc/39/25/78/854392578.db2.gz HYHLKTZIEOMCTF-CYBMUJFWSA-N 1 2 392.550 3.698 20 30 GHEDLO CCCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC000050994666 854392585 /nfs/dbraw/zinc/39/25/85/854392585.db2.gz HYHLKTZIEOMCTF-CYBMUJFWSA-N 1 2 392.550 3.698 20 30 GHEDLO Cc1cccc2c1N(C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1)CC2 ZINC000328765640 854533323 /nfs/dbraw/zinc/53/33/23/854533323.db2.gz GVHUVZZBMRYBMS-IBGZPJMESA-N 1 2 380.492 3.755 20 30 GHEDLO Cc1cccc2c1N(C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1)CC2 ZINC000328765640 854533326 /nfs/dbraw/zinc/53/33/26/854533326.db2.gz GVHUVZZBMRYBMS-IBGZPJMESA-N 1 2 380.492 3.755 20 30 GHEDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N[C@@H]1CCCC12CCOCC2 ZINC000328778485 854553737 /nfs/dbraw/zinc/55/37/37/854553737.db2.gz IRYYDXPELOZYRI-MRXNPFEDSA-N 1 2 378.542 3.804 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC[C@H]3[C@H]3CCCO3)n2)C1 ZINC000328857404 854579995 /nfs/dbraw/zinc/57/99/95/854579995.db2.gz XVYZKJFUKSFQIZ-HYVNUMGLSA-N 1 2 378.542 3.564 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC[C@H]3[C@H]3CCCO3)n2)C1 ZINC000328857404 854580002 /nfs/dbraw/zinc/58/00/02/854580002.db2.gz XVYZKJFUKSFQIZ-HYVNUMGLSA-N 1 2 378.542 3.564 20 30 GHEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000051755998 854739139 /nfs/dbraw/zinc/73/91/39/854739139.db2.gz WKNVULDEBRNNLA-UHFFFAOYSA-N 1 2 384.436 3.513 20 30 GHEDLO C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C[C@H](C)[S@]1=O ZINC000330133488 862602655 /nfs/dbraw/zinc/60/26/55/862602655.db2.gz RESDCMCOUFTOPR-DBYLTBGSSA-N 1 2 393.578 3.564 20 30 GHEDLO C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C[C@H](C)[S@]1=O ZINC000330133488 862602658 /nfs/dbraw/zinc/60/26/58/862602658.db2.gz RESDCMCOUFTOPR-DBYLTBGSSA-N 1 2 393.578 3.564 20 30 GHEDLO Cc1ccc(CNC(=O)c2cccc(C[NH2+]Cc3nc(C#N)cs3)c2)cc1 ZINC000589310283 854803500 /nfs/dbraw/zinc/80/35/00/854803500.db2.gz JNLDCTGATNIRAS-UHFFFAOYSA-N 1 2 376.485 3.543 20 30 GHEDLO N#Cc1cccc(C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000589390658 854847219 /nfs/dbraw/zinc/84/72/19/854847219.db2.gz KOLJDRQIKGJIDI-UHFFFAOYSA-N 1 2 393.450 3.795 20 30 GHEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000128657810 855016504 /nfs/dbraw/zinc/01/65/04/855016504.db2.gz KFAUKYGPGOIEEJ-CVEARBPZSA-N 1 2 375.900 3.524 20 30 GHEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000128657810 855016517 /nfs/dbraw/zinc/01/65/17/855016517.db2.gz KFAUKYGPGOIEEJ-CVEARBPZSA-N 1 2 375.900 3.524 20 30 GHEDLO C[C@@H](NC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)c1ccc(C#N)cc1 ZINC000609546548 855197050 /nfs/dbraw/zinc/19/70/50/855197050.db2.gz ZJJYTAKNTPUJRF-QAPCUYQASA-N 1 2 398.457 3.861 20 30 GHEDLO C[C@@H](NC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)c1ccc(C#N)cc1 ZINC000609546548 855197054 /nfs/dbraw/zinc/19/70/54/855197054.db2.gz ZJJYTAKNTPUJRF-QAPCUYQASA-N 1 2 398.457 3.861 20 30 GHEDLO N#CCCOCCN1CC[NH+]([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000590157806 855302605 /nfs/dbraw/zinc/30/26/05/855302605.db2.gz LPOFLROAJGXZFW-QFIPXVFZSA-N 1 2 383.923 3.977 20 30 GHEDLO CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(c2cccnc2C#N)CC1 ZINC000574684467 855557997 /nfs/dbraw/zinc/55/79/97/855557997.db2.gz GTCGNWSRMMMOJM-SFHVURJKSA-N 1 2 385.309 3.989 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCSC[C@@H]2C2CC2)c1C#N ZINC000590758709 855565738 /nfs/dbraw/zinc/56/57/38/855565738.db2.gz VHRVZMFXBVYDGS-LJQANCHMSA-N 1 2 386.565 3.858 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCSC[C@@H]2C2CC2)c1C#N ZINC000590758709 855565746 /nfs/dbraw/zinc/56/57/46/855565746.db2.gz VHRVZMFXBVYDGS-LJQANCHMSA-N 1 2 386.565 3.858 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](Cc3nc(-c4ccc(F)cc4)no3)CC2)cc1 ZINC000507787758 855781407 /nfs/dbraw/zinc/78/14/07/855781407.db2.gz UIGPUIOCLIYKQL-UHFFFAOYSA-N 1 2 378.407 3.791 20 30 GHEDLO Cc1ccc(NC[C@@H](c2ccc(C(F)(F)F)cc2)[NH+]2CCOCC2)nc1C#N ZINC000302679294 855907291 /nfs/dbraw/zinc/90/72/91/855907291.db2.gz VZMXSFUREGNYLH-SFHVURJKSA-N 1 2 390.409 3.766 20 30 GHEDLO O=C1[C@H]([NH+]2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)CCCN1c1cccc(F)c1 ZINC000674462021 856308137 /nfs/dbraw/zinc/30/81/37/856308137.db2.gz DMUIVJDZBLVISF-MELADBBJSA-N 1 2 398.322 3.994 20 30 GHEDLO Cc1ccc(Sc2ccc(C[N@@H+]3CC[C@](O)(CC#N)C3)cc2[N+](=O)[O-])cc1 ZINC000592524327 856920249 /nfs/dbraw/zinc/92/02/49/856920249.db2.gz XDOSYNGBULGPFA-HXUWFJFHSA-N 1 2 383.473 3.905 20 30 GHEDLO Cc1ccc(Sc2ccc(C[N@H+]3CC[C@](O)(CC#N)C3)cc2[N+](=O)[O-])cc1 ZINC000592524327 856920253 /nfs/dbraw/zinc/92/02/53/856920253.db2.gz XDOSYNGBULGPFA-HXUWFJFHSA-N 1 2 383.473 3.905 20 30 GHEDLO N#Cc1c(C[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cn2ccccc12 ZINC000064480576 857160041 /nfs/dbraw/zinc/16/00/41/857160041.db2.gz FIZJNAUWVBYANX-UHFFFAOYSA-N 1 2 392.890 3.812 20 30 GHEDLO N#Cc1c(C[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cn2ccccc12 ZINC000064480576 857160047 /nfs/dbraw/zinc/16/00/47/857160047.db2.gz FIZJNAUWVBYANX-UHFFFAOYSA-N 1 2 392.890 3.812 20 30 GHEDLO C=CCC1(NC(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)CCOCC1 ZINC000665257541 857172650 /nfs/dbraw/zinc/17/26/50/857172650.db2.gz MLPOUKHOBSLHGS-OAHLLOKOSA-N 1 2 378.542 3.622 20 30 GHEDLO C=CCC1(NC(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)CCOCC1 ZINC000665257541 857172657 /nfs/dbraw/zinc/17/26/57/857172657.db2.gz MLPOUKHOBSLHGS-OAHLLOKOSA-N 1 2 378.542 3.622 20 30 GHEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)[C@]3(C#N)CC4CCC3CC4)CC2)cc1 ZINC000906809364 857305875 /nfs/dbraw/zinc/30/58/75/857305875.db2.gz GIQSUUOPFCKGBO-KXXGJQBSSA-N 1 2 380.536 3.558 20 30 GHEDLO C=CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)Cc1cccs1 ZINC000019540606 857522004 /nfs/dbraw/zinc/52/20/04/857522004.db2.gz FAYXCFJJPVMFBC-UHFFFAOYSA-N 1 2 387.896 3.609 20 30 GHEDLO C=CC[N@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)Cc1cccs1 ZINC000019540606 857522015 /nfs/dbraw/zinc/52/20/15/857522015.db2.gz FAYXCFJJPVMFBC-UHFFFAOYSA-N 1 2 387.896 3.609 20 30 GHEDLO C=C(C)[C@@H](NC(=O)NCc1nc(C[NH+](C)C)cs1)c1ccc(F)c(F)c1 ZINC000922031018 857596678 /nfs/dbraw/zinc/59/66/78/857596678.db2.gz HBQJKOOTBGEWCM-QGZVFWFLSA-N 1 2 380.464 3.600 20 30 GHEDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)CSc3ccncc3C#N)CC2)cc1 ZINC000594912232 858302718 /nfs/dbraw/zinc/30/27/18/858302718.db2.gz XCRVPSUQLBWILI-UHFFFAOYSA-N 1 2 394.544 3.513 20 30 GHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3Cc4cccc(C#N)c4C3)n2)C1 ZINC000593137240 858753928 /nfs/dbraw/zinc/75/39/28/858753928.db2.gz UJWUKGLBCRIZHH-AWEZNQCLSA-N 1 2 381.505 3.794 20 30 GHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3Cc4cccc(C#N)c4C3)n2)C1 ZINC000593137240 858753936 /nfs/dbraw/zinc/75/39/36/858753936.db2.gz UJWUKGLBCRIZHH-AWEZNQCLSA-N 1 2 381.505 3.794 20 30 GHEDLO C[C@H](C#N)Oc1ccc(C[NH2+]C2(c3ncc(Br)cn3)CCC2)cc1 ZINC000923000620 858925376 /nfs/dbraw/zinc/92/53/76/858925376.db2.gz NINVHHHKJBFJLX-CYBMUJFWSA-N 1 2 387.281 3.699 20 30 GHEDLO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3nc(-c4cccs4)no3)CC2)c1 ZINC000116401761 858961590 /nfs/dbraw/zinc/96/15/90/858961590.db2.gz HCEQBEQHAOWHEC-UHFFFAOYSA-N 1 2 393.472 3.520 20 30 GHEDLO C[C@@H](CC#N)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000596826617 859110808 /nfs/dbraw/zinc/11/08/08/859110808.db2.gz ULIKDGHAWCLIMN-HNNXBMFYSA-N 1 2 398.488 3.517 20 30 GHEDLO COCC[N@H+](Cc1coc(-c2ccc(OC)cc2)n1)Cc1ccc(C#N)cc1 ZINC000069072086 859328573 /nfs/dbraw/zinc/32/85/73/859328573.db2.gz XZQBSGOUKZUOSA-UHFFFAOYSA-N 1 2 377.444 3.870 20 30 GHEDLO COCC[N@@H+](Cc1coc(-c2ccc(OC)cc2)n1)Cc1ccc(C#N)cc1 ZINC000069072086 859328582 /nfs/dbraw/zinc/32/85/82/859328582.db2.gz XZQBSGOUKZUOSA-UHFFFAOYSA-N 1 2 377.444 3.870 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)c2cc(F)c(C#N)c(F)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000597440225 859552042 /nfs/dbraw/zinc/55/20/42/859552042.db2.gz DWGRYEVRSHXWLG-QZTJIDSGSA-N 1 2 393.796 3.804 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)c2cc(F)c(C#N)c(F)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000597440225 859552044 /nfs/dbraw/zinc/55/20/44/859552044.db2.gz DWGRYEVRSHXWLG-QZTJIDSGSA-N 1 2 393.796 3.804 20 30 GHEDLO C[C@H](c1ccccn1)[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000161249726 859768330 /nfs/dbraw/zinc/76/83/30/859768330.db2.gz FYUZABRVOPVKKJ-DNVCBOLYSA-N 1 2 385.309 3.788 20 30 GHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+]2CCC[C@H]3COCC[C@H]32)c1=S ZINC000765084387 859772424 /nfs/dbraw/zinc/77/24/24/859772424.db2.gz ZCNCWXGZAJRMCR-ZWKOTPCHSA-N 1 2 385.537 3.511 20 30 GHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+]2CCC[C@H]3COCC[C@H]32)c1=S ZINC000765084387 859772430 /nfs/dbraw/zinc/77/24/30/859772430.db2.gz ZCNCWXGZAJRMCR-ZWKOTPCHSA-N 1 2 385.537 3.511 20 30 GHEDLO Cn1cc[nH+]c1C[C@H](NC(=O)N1CCc2c(CC#N)cccc2C1)c1ccccc1 ZINC000602260861 859911511 /nfs/dbraw/zinc/91/15/11/859911511.db2.gz LSDGJLNJMIGBBI-QFIPXVFZSA-N 1 2 399.498 3.538 20 30 GHEDLO C=CCn1c(-c2ccoc2)nnc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000508924855 860051900 /nfs/dbraw/zinc/05/19/00/860051900.db2.gz ZAVCBJFZJQMHMH-UHFFFAOYSA-N 1 2 383.883 3.700 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602860479 860317568 /nfs/dbraw/zinc/31/75/68/860317568.db2.gz INIAJXOCVJKQPQ-GUDVDZBRSA-N 1 2 376.504 3.599 20 30 GHEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](c3ccc4cccnc4n3)C2)c(C#N)c1C ZINC000602888789 860337993 /nfs/dbraw/zinc/33/79/93/860337993.db2.gz RGLZSGSOLFYKHM-INIZCTEOSA-N 1 2 391.500 3.608 20 30 GHEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@H](c3ccc4cccnc4n3)C2)c(C#N)c1C ZINC000602888789 860338000 /nfs/dbraw/zinc/33/80/00/860338000.db2.gz RGLZSGSOLFYKHM-INIZCTEOSA-N 1 2 391.500 3.608 20 30 GHEDLO CCOC(=O)c1cnc2n1CC[N@H+](C1CCC(C#N)(c3ccccc3)CC1)[C@@H]2C ZINC001170398641 881533124 /nfs/dbraw/zinc/53/31/24/881533124.db2.gz RLHXODOTLAAIHB-IMHYJWESSA-N 1 2 392.503 3.841 20 30 GHEDLO CCOC(=O)c1cnc2n1CC[N@@H+](C1CCC(C#N)(c3ccccc3)CC1)[C@@H]2C ZINC001170398641 881533134 /nfs/dbraw/zinc/53/31/34/881533134.db2.gz RLHXODOTLAAIHB-IMHYJWESSA-N 1 2 392.503 3.841 20 30 GHEDLO COc1ccc(Cl)c2c1CCC[C@@H]2[N@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000593691029 860883198 /nfs/dbraw/zinc/88/31/98/860883198.db2.gz JLNAWRPZNHRURH-KRWDZBQOSA-N 1 2 381.867 3.772 20 30 GHEDLO COc1ccc(Cl)c2c1CCC[C@@H]2[N@@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000593691029 860883207 /nfs/dbraw/zinc/88/32/07/860883207.db2.gz JLNAWRPZNHRURH-KRWDZBQOSA-N 1 2 381.867 3.772 20 30 GHEDLO Cc1cc(N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)c(C#N)cc1[N+](=O)[O-] ZINC000599187288 860891250 /nfs/dbraw/zinc/89/12/50/860891250.db2.gz QJILSZYSXPPGSZ-UHFFFAOYSA-N 1 2 375.432 3.578 20 30 GHEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2nc(C)no2)C1 ZINC000329068120 860990780 /nfs/dbraw/zinc/99/07/80/860990780.db2.gz XJBUEVYCZUUZIP-DGCLKSJQSA-N 1 2 378.860 3.814 20 30 GHEDLO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2nc(C)no2)C1 ZINC000329068120 860990790 /nfs/dbraw/zinc/99/07/90/860990790.db2.gz XJBUEVYCZUUZIP-DGCLKSJQSA-N 1 2 378.860 3.814 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000329169258 861093024 /nfs/dbraw/zinc/09/30/24/861093024.db2.gz JNLFUUWEGCWMMY-HRCADAONSA-N 1 2 382.867 3.528 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(N)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000329169258 861093038 /nfs/dbraw/zinc/09/30/38/861093038.db2.gz JNLFUUWEGCWMMY-HRCADAONSA-N 1 2 382.867 3.528 20 30 GHEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)N1CCC(C(=O)OCC)CC1 ZINC000557053498 881640775 /nfs/dbraw/zinc/64/07/75/881640775.db2.gz XUTGBZMCGTUGCY-CQSZACIVSA-N 1 2 398.956 3.580 20 30 GHEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)N1CCC(C(=O)OCC)CC1 ZINC000557053498 881640784 /nfs/dbraw/zinc/64/07/84/881640784.db2.gz XUTGBZMCGTUGCY-CQSZACIVSA-N 1 2 398.956 3.580 20 30 GHEDLO N#Cc1cnc2c(Br)cccc2c1N1CCC(n2cc[nH+]c2)CC1 ZINC000281761316 863365684 /nfs/dbraw/zinc/36/56/84/863365684.db2.gz YSOJKKYQGYCLIN-UHFFFAOYSA-N 1 2 382.265 3.907 20 30 GHEDLO C=CCn1c2ccccc2n(C[NH+]2CCC(OCCCOC)CC2)c1=S ZINC000172914828 864080370 /nfs/dbraw/zinc/08/03/70/864080370.db2.gz LXGZUBJTJVJRSL-UHFFFAOYSA-N 1 2 375.538 3.833 20 30 GHEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCc3cccc([N+](=O)[O-])c3C)c2)n1 ZINC000072073220 864434445 /nfs/dbraw/zinc/43/44/45/864434445.db2.gz FPHMMMQSPMZQTK-UHFFFAOYSA-N 1 2 393.447 3.602 20 30 GHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000476538634 881802254 /nfs/dbraw/zinc/80/22/54/881802254.db2.gz PSYLYVNLRCWOLH-UHFFFAOYSA-N 1 2 392.409 3.811 20 30 GHEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000475349034 864829216 /nfs/dbraw/zinc/82/92/16/864829216.db2.gz FXRAZJXMUGKGIV-LJQANCHMSA-N 1 2 381.867 3.706 20 30 GHEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1Cl ZINC000025949671 864837759 /nfs/dbraw/zinc/83/77/59/864837759.db2.gz XLGXGWFUMUSOSA-IBGZPJMESA-N 1 2 387.842 3.753 20 30 GHEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1Cl ZINC000025949671 864837771 /nfs/dbraw/zinc/83/77/71/864837771.db2.gz XLGXGWFUMUSOSA-IBGZPJMESA-N 1 2 387.842 3.753 20 30 GHEDLO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)c1nccs1 ZINC000185100496 865182359 /nfs/dbraw/zinc/18/23/59/865182359.db2.gz CUWURKZOLHQIQA-QGZVFWFLSA-N 1 2 397.504 3.754 20 30 GHEDLO COCCOc1ccc(C(=O)/C=C\c2c[nH+]c3ccc(Cl)cn23)cc1OC ZINC000737445413 865397058 /nfs/dbraw/zinc/39/70/58/865397058.db2.gz ZDNNQYYYSVXTOE-WAYWQWQTSA-N 1 2 386.835 3.918 20 30 GHEDLO N#Cc1cccc(OC2CC[NH+]([C@H]3CCCN(c4ccccc4F)C3=O)CC2)c1 ZINC000487477867 865432560 /nfs/dbraw/zinc/43/25/60/865432560.db2.gz ODDPNLSNKMPYCK-QFIPXVFZSA-N 1 2 393.462 3.736 20 30 GHEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)NC1(c2ccc(C#N)cc2)CCC1)c1ccccc1 ZINC000594227294 865477633 /nfs/dbraw/zinc/47/76/33/865477633.db2.gz MAQOVVIEPFUSNE-OAQYLSRUSA-N 1 2 399.498 3.954 20 30 GHEDLO CS(=O)(=O)c1cccc([C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)c2cc(F)ccc2F)c1 ZINC000555331749 865909488 /nfs/dbraw/zinc/90/94/88/865909488.db2.gz QNKXXOYWFSSYCZ-AUJRIZCKSA-N 1 2 390.455 3.740 20 30 GHEDLO Cc1cc(F)ccc1C1CC[NH+](CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000428760384 866480120 /nfs/dbraw/zinc/48/01/20/866480120.db2.gz RQLWZQHFKONKND-UHFFFAOYSA-N 1 2 386.492 3.659 20 30 GHEDLO C=CC[N@H+](CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)Cc1cccs1 ZINC000620643810 866912988 /nfs/dbraw/zinc/91/29/88/866912988.db2.gz NKZLTHYIDFNOEH-IBGZPJMESA-N 1 2 398.528 3.871 20 30 GHEDLO C=CC[N@@H+](CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)Cc1cccs1 ZINC000620643810 866913006 /nfs/dbraw/zinc/91/30/06/866913006.db2.gz NKZLTHYIDFNOEH-IBGZPJMESA-N 1 2 398.528 3.871 20 30 GHEDLO NC(=NOCc1cc(Cl)ccc1Cl)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000742356583 867229627 /nfs/dbraw/zinc/22/96/27/867229627.db2.gz FJHDZEYBKRCQQG-UHFFFAOYSA-N 1 2 394.302 3.663 20 30 GHEDLO CC(=[NH+]Nc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000920377988 882072732 /nfs/dbraw/zinc/07/27/32/882072732.db2.gz LOCNNSAGPONQKG-UHFFFAOYSA-N 1 2 388.537 3.666 20 30 GHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000742954212 867696048 /nfs/dbraw/zinc/69/60/48/867696048.db2.gz GMYIOLJYTTYQMU-INIZCTEOSA-N 1 2 393.434 3.543 20 30 GHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000742954212 867696051 /nfs/dbraw/zinc/69/60/51/867696051.db2.gz GMYIOLJYTTYQMU-INIZCTEOSA-N 1 2 393.434 3.543 20 30 GHEDLO CS(=O)(=O)c1cccc([C@@H]([NH2+]CC#Cc2ccccc2)c2ccc(F)cc2)c1 ZINC000479483450 867851180 /nfs/dbraw/zinc/85/11/80/867851180.db2.gz WXYQAOCADAVETE-QHCPKHFHSA-N 1 2 393.483 3.960 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)cc1 ZINC000021582138 868356105 /nfs/dbraw/zinc/35/61/05/868356105.db2.gz VNPIFFUHHSAZPM-UHFFFAOYSA-N 1 2 393.878 3.579 20 30 GHEDLO N#Cc1cc(Br)ccc1C[N@@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000553864241 868371206 /nfs/dbraw/zinc/37/12/06/868371206.db2.gz QCSNQYGCIPIZBH-UHFFFAOYSA-N 1 2 384.277 3.584 20 30 GHEDLO N#Cc1cc(Br)ccc1C[N@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000553864241 868371219 /nfs/dbraw/zinc/37/12/19/868371219.db2.gz QCSNQYGCIPIZBH-UHFFFAOYSA-N 1 2 384.277 3.584 20 30 GHEDLO C[C@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1)[NH+]1CCSCC1 ZINC000152115193 868475686 /nfs/dbraw/zinc/47/56/86/868475686.db2.gz OFXDUQKVHUBVNA-MRXNPFEDSA-N 1 2 381.501 3.513 20 30 GHEDLO CC(C)(CC#N)CNC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000457660227 868591956 /nfs/dbraw/zinc/59/19/56/868591956.db2.gz FSMIDIOPCDOYHI-INIZCTEOSA-N 1 2 380.895 3.855 20 30 GHEDLO N#CCCN(C(=O)CCC(=O)Nc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000609091867 869252212 /nfs/dbraw/zinc/25/22/12/869252212.db2.gz AIEDGUUINSEJAM-UHFFFAOYSA-N 1 2 387.443 3.538 20 30 GHEDLO Cc1cccc(-n2ccn(C[N@@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)c2=S)c1 ZINC000793589919 882294590 /nfs/dbraw/zinc/29/45/90/882294590.db2.gz JBOMVGGBFWKLBN-LJQANCHMSA-N 1 2 391.500 3.694 20 30 GHEDLO Cc1cccc(-n2ccn(C[N@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)c2=S)c1 ZINC000793589919 882294608 /nfs/dbraw/zinc/29/46/08/882294608.db2.gz JBOMVGGBFWKLBN-LJQANCHMSA-N 1 2 391.500 3.694 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@H]3c3c(F)cccc3Cl)CC2)cc1 ZINC000524851256 869675581 /nfs/dbraw/zinc/67/55/81/869675581.db2.gz VGDBFSJNJOXXPW-QZTJIDSGSA-N 1 2 397.881 3.799 20 30 GHEDLO Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000539829292 869865426 /nfs/dbraw/zinc/86/54/26/869865426.db2.gz MOSWOMGHZRTYNZ-WMZOPIPTSA-N 1 2 392.425 3.941 20 30 GHEDLO Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000539829292 869865437 /nfs/dbraw/zinc/86/54/37/869865437.db2.gz MOSWOMGHZRTYNZ-WMZOPIPTSA-N 1 2 392.425 3.941 20 30 GHEDLO CC[C@]1(c2ccccc2)NC(=O)N(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)C1=O ZINC000746032514 869959738 /nfs/dbraw/zinc/95/97/38/869959738.db2.gz AYQVBFHTERWOKA-HSZRJFAPSA-N 1 2 390.487 3.583 20 30 GHEDLO CC[C@]1(c2ccccc2)NC(=O)N(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)C1=O ZINC000746032514 869959747 /nfs/dbraw/zinc/95/97/47/869959747.db2.gz AYQVBFHTERWOKA-HSZRJFAPSA-N 1 2 390.487 3.583 20 30 GHEDLO C[C@H](NC(=O)Nc1ccccc1OCCn1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000525344784 870451465 /nfs/dbraw/zinc/45/14/65/870451465.db2.gz AEIBNDMCAZFDJH-INIZCTEOSA-N 1 2 375.432 3.716 20 30 GHEDLO C[C@H](CC#N)N(C)Cc1cc(Br)ccc1C[N@H+](C)[C@H](C)CC#N ZINC000249303807 870809035 /nfs/dbraw/zinc/80/90/35/870809035.db2.gz MKGIXIXYDVYFQN-HUUCEWRRSA-N 1 2 377.330 3.917 20 30 GHEDLO C[C@H](CC#N)N(C)Cc1cc(Br)ccc1C[N@@H+](C)[C@H](C)CC#N ZINC000249303807 870809044 /nfs/dbraw/zinc/80/90/44/870809044.db2.gz MKGIXIXYDVYFQN-HUUCEWRRSA-N 1 2 377.330 3.917 20 30 GHEDLO N#Cc1ccc(Cc2cnc(NC(=O)NCCCNc3cccc[nH+]3)s2)cc1 ZINC000509648658 871034309 /nfs/dbraw/zinc/03/43/09/871034309.db2.gz APVRVZJJXWMQEY-UHFFFAOYSA-N 1 2 392.488 3.624 20 30 GHEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000525949498 871749949 /nfs/dbraw/zinc/74/99/49/871749949.db2.gz MTSLEDBNYPFVAM-MRXNPFEDSA-N 1 2 382.895 3.529 20 30 GHEDLO CCCCCCCCOC(=O)N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001194740841 871901959 /nfs/dbraw/zinc/90/19/59/871901959.db2.gz RIZUUHFNXQSFLN-UHFFFAOYSA-N 1 2 379.549 3.821 20 30 GHEDLO CCCCCCCCOC(=O)N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001194740841 871901963 /nfs/dbraw/zinc/90/19/63/871901963.db2.gz RIZUUHFNXQSFLN-UHFFFAOYSA-N 1 2 379.549 3.821 20 30 GHEDLO CCCCCCCCOC(=O)N1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001194740363 871902084 /nfs/dbraw/zinc/90/20/84/871902084.db2.gz IECWMEWFPBQQGQ-UHFFFAOYSA-N 1 2 391.560 3.619 20 30 GHEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(NCc2cccnc2N2CCCC2)[nH+]1 ZINC001169855297 871946186 /nfs/dbraw/zinc/94/61/86/871946186.db2.gz BNVUYHUYBVXVCO-WPEGFHAJSA-N 1 2 399.564 3.878 20 30 GHEDLO N#Cc1ccc(CSCC(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)cc1 ZINC000552229429 872272404 /nfs/dbraw/zinc/27/24/04/872272404.db2.gz FEJLKSJKWXTDCL-WGSAOQKQSA-N 1 2 380.517 3.726 20 30 GHEDLO N#CCC1CCN(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000540987974 872682947 /nfs/dbraw/zinc/68/29/47/872682947.db2.gz DVNRBZXTSQDNNW-GOSISDBHSA-N 1 2 392.906 3.779 20 30 GHEDLO N#CCC1CCN(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000540987974 872682956 /nfs/dbraw/zinc/68/29/56/872682956.db2.gz DVNRBZXTSQDNNW-GOSISDBHSA-N 1 2 392.906 3.779 20 30 GHEDLO C=CC[N@H+](CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1)[C@@H](C)COC ZINC001196048411 872856646 /nfs/dbraw/zinc/85/66/46/872856646.db2.gz UODDHNBRBUNUMU-GHTZIAJQSA-N 1 2 395.503 3.789 20 30 GHEDLO C=CC[N@@H+](CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1)[C@@H](C)COC ZINC001196048411 872856665 /nfs/dbraw/zinc/85/66/65/872856665.db2.gz UODDHNBRBUNUMU-GHTZIAJQSA-N 1 2 395.503 3.789 20 30 GHEDLO C[C@H](c1cccc(NC(=O)NCc2ccc(C#N)c(Cl)c2)c1)[NH+]1CCOCC1 ZINC000619788336 873028861 /nfs/dbraw/zinc/02/88/61/873028861.db2.gz NCXQZJAXRONNHP-OAHLLOKOSA-N 1 2 398.894 3.927 20 30 GHEDLO N#Cc1ccccc1NC(=S)NC1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC001196344138 873045237 /nfs/dbraw/zinc/04/52/37/873045237.db2.gz VXDMREJZUYRPJI-UHFFFAOYSA-N 1 2 386.471 3.787 20 30 GHEDLO C=CCC[C@@H](c1ccc(C(F)(F)F)cc1)N1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000552740782 873102938 /nfs/dbraw/zinc/10/29/38/873102938.db2.gz VFABUOZJURPAPH-HOTGVXAUSA-N 1 2 392.381 3.599 20 30 GHEDLO C=CCC[C@@H](c1ccc(C(F)(F)F)cc1)N1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000552740782 873102951 /nfs/dbraw/zinc/10/29/51/873102951.db2.gz VFABUOZJURPAPH-HOTGVXAUSA-N 1 2 392.381 3.599 20 30 GHEDLO C#Cc1ccc(NC(=O)CC[N@@H+]2CCOc3cc(Br)ccc3C2)cc1 ZINC001196450989 873136288 /nfs/dbraw/zinc/13/62/88/873136288.db2.gz VXFSHPSDKHPEGF-UHFFFAOYSA-N 1 2 399.288 3.654 20 30 GHEDLO C#Cc1ccc(NC(=O)CC[N@H+]2CCOc3cc(Br)ccc3C2)cc1 ZINC001196450989 873136290 /nfs/dbraw/zinc/13/62/90/873136290.db2.gz VXFSHPSDKHPEGF-UHFFFAOYSA-N 1 2 399.288 3.654 20 30 GHEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000527481680 873181470 /nfs/dbraw/zinc/18/14/70/873181470.db2.gz VZDPOOZQJTTZDM-TVGZPFHWSA-N 1 2 377.532 3.980 20 30 GHEDLO CS(=O)(=O)c1cccc([C@@H]([NH2+]Cc2cccc(C#N)c2F)c2ccccc2)c1 ZINC000541294421 873297247 /nfs/dbraw/zinc/29/72/47/873297247.db2.gz ALCDFICEVAMNTM-QFIPXVFZSA-N 1 2 394.471 3.980 20 30 GHEDLO Cc1c(Cl)cnc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)c1C#N ZINC000541349075 873408585 /nfs/dbraw/zinc/40/85/85/873408585.db2.gz VMNXHECFKRRFKS-UHFFFAOYSA-N 1 2 377.879 3.917 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3cc4ccccc4s3)CC2)cc1 ZINC000448580068 873598620 /nfs/dbraw/zinc/59/86/20/873598620.db2.gz WQHFWYFMMRGCSG-UHFFFAOYSA-N 1 2 375.497 3.660 20 30 GHEDLO N#CCOc1cccc(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)c1 ZINC000768969506 873711966 /nfs/dbraw/zinc/71/19/66/873711966.db2.gz SULVHENTFPBIFB-RTWAWAEBSA-N 1 2 387.443 3.836 20 30 GHEDLO C[N@H+](CC(F)F)C1CCN(C(=O)c2cc(F)c(C(F)(F)F)cc2F)CC1 ZINC000804404567 882787778 /nfs/dbraw/zinc/78/77/78/882787778.db2.gz RPMDYESTUQFIFQ-UHFFFAOYSA-N 1 2 386.311 3.785 20 30 GHEDLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2cc(F)c(C(F)(F)F)cc2F)CC1 ZINC000804404567 882787789 /nfs/dbraw/zinc/78/77/89/882787789.db2.gz RPMDYESTUQFIFQ-UHFFFAOYSA-N 1 2 386.311 3.785 20 30 GHEDLO C#C[C@@H]([NH2+]Cc1csc(-c2ccc(Br)cc2)n1)[C@@H]1CCCO1 ZINC000775796375 874109783 /nfs/dbraw/zinc/10/97/83/874109783.db2.gz XNUFFUXRTOVLII-CVEARBPZSA-N 1 2 377.307 3.843 20 30 GHEDLO N#CC1(c2ccccn2)CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000369205738 874241902 /nfs/dbraw/zinc/24/19/02/874241902.db2.gz KTMDSGILORKIAL-UHFFFAOYSA-N 1 2 389.415 3.702 20 30 GHEDLO CC(=[NH+]Nc1ccc(F)c([N+](=O)[O-])c1)c1c(F)cccc1N1CCOCC1 ZINC000769830498 874314746 /nfs/dbraw/zinc/31/47/46/874314746.db2.gz OKLGOYCHJUVZKD-UHFFFAOYSA-N 1 2 376.363 3.546 20 30 GHEDLO CC(C)(C)OC(=O)NCc1ccc(C(N)=[NH+]OCc2cccc(Cl)n2)cc1 ZINC000769841627 874319752 /nfs/dbraw/zinc/31/97/52/874319752.db2.gz IFYJCHNXZMFGGO-UHFFFAOYSA-N 1 2 390.871 3.597 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000528503171 874639822 /nfs/dbraw/zinc/63/98/22/874639822.db2.gz DEPZAPVILVVZRS-LJQANCHMSA-N 1 2 392.858 3.748 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000528503171 874639831 /nfs/dbraw/zinc/63/98/31/874639831.db2.gz DEPZAPVILVVZRS-LJQANCHMSA-N 1 2 392.858 3.748 20 30 GHEDLO N#Cc1cccc(N2CC[NH+](Cc3cnc(-c4c(F)cccc4F)s3)CC2)n1 ZINC000449243734 874650596 /nfs/dbraw/zinc/65/05/96/874650596.db2.gz MTZNJJZXAAKPEU-UHFFFAOYSA-N 1 2 397.454 3.677 20 30 GHEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC000528560943 874707578 /nfs/dbraw/zinc/70/75/78/874707578.db2.gz PIONKMALFZFZLI-MSOLQXFVSA-N 1 2 387.277 3.507 20 30 GHEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC000528560943 874707582 /nfs/dbraw/zinc/70/75/82/874707582.db2.gz PIONKMALFZFZLI-MSOLQXFVSA-N 1 2 387.277 3.507 20 30 GHEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cccc(Br)c3F)C2)nc1 ZINC000449338089 874758046 /nfs/dbraw/zinc/75/80/46/874758046.db2.gz UMYPNLDFWGNJMQ-CQSZACIVSA-N 1 2 376.229 3.508 20 30 GHEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cccc(Br)c3F)C2)nc1 ZINC000449338089 874758056 /nfs/dbraw/zinc/75/80/56/874758056.db2.gz UMYPNLDFWGNJMQ-CQSZACIVSA-N 1 2 376.229 3.508 20 30 GHEDLO N#Cc1ccc(C2([NH2+]Cc3nc(-c4ccccc4F)no3)CCOCC2)cc1 ZINC000528778734 875049486 /nfs/dbraw/zinc/04/94/86/875049486.db2.gz MDJYLYNDOXOXRY-UHFFFAOYSA-N 1 2 378.407 3.543 20 30 GHEDLO C=CCOc1c(Br)cc(C[N@@H+]2CCOCC3(CC3)C2)cc1OC ZINC000542174309 875087868 /nfs/dbraw/zinc/08/78/68/875087868.db2.gz DQCISQUAEAVXFJ-UHFFFAOYSA-N 1 2 382.298 3.635 20 30 GHEDLO C=CCOc1c(Br)cc(C[N@H+]2CCOCC3(CC3)C2)cc1OC ZINC000542174309 875087876 /nfs/dbraw/zinc/08/78/76/875087876.db2.gz DQCISQUAEAVXFJ-UHFFFAOYSA-N 1 2 382.298 3.635 20 30 GHEDLO C[C@H](CC#N)N[NH+]=CC1=C(N2CCOCC2)/C(=C/c2ccc(Cl)cc2)CC1 ZINC000771886198 875514763 /nfs/dbraw/zinc/51/47/63/875514763.db2.gz ODFZHJFBZCWWTB-FYCMNAKYSA-N 1 2 384.911 3.981 20 30 GHEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3ccc(S(=O)(=O)C(F)F)cc3)n2c1 ZINC000771858201 875520835 /nfs/dbraw/zinc/52/08/35/875520835.db2.gz HKTBSIMDTJSKKK-VMPITWQZSA-N 1 2 376.384 3.535 20 30 GHEDLO NC(=[NH+]OCc1noc(C2CC2)n1)c1ccc(COc2ccccc2F)cc1 ZINC000109062730 876626405 /nfs/dbraw/zinc/62/64/05/876626405.db2.gz PNSMXJPRUKXGKY-UHFFFAOYSA-N 1 2 382.395 3.502 20 30 GHEDLO N#CCSCCCSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000174001445 876769140 /nfs/dbraw/zinc/76/91/40/876769140.db2.gz USWHISLWWHVWOD-UHFFFAOYSA-N 1 2 387.578 3.992 20 30 GHEDLO N#CC1(F)CCN(Cc2cc(Cl)cc(C[NH+]3CCC(F)(C#N)CC3)c2)CC1 ZINC000450972932 877150500 /nfs/dbraw/zinc/15/05/00/877150500.db2.gz JLKKBKDZJISWPX-UHFFFAOYSA-N 1 2 392.881 3.995 20 30 GHEDLO N#Cc1cccc(COc2cccc(C[N@H+]3CCOC[C@H]3[C@@H]3CCCC3=O)c2)c1 ZINC000530389128 877684845 /nfs/dbraw/zinc/68/48/45/877684845.db2.gz STUJBLLDEGSEEQ-GOTSBHOMSA-N 1 2 390.483 3.707 20 30 GHEDLO N#Cc1cccc(COc2cccc(C[N@@H+]3CCOC[C@H]3[C@@H]3CCCC3=O)c2)c1 ZINC000530389128 877684859 /nfs/dbraw/zinc/68/48/59/877684859.db2.gz STUJBLLDEGSEEQ-GOTSBHOMSA-N 1 2 390.483 3.707 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)CC2)cc1 ZINC000616173382 878629716 /nfs/dbraw/zinc/62/97/16/878629716.db2.gz VESUJTOTHQZAHP-BHDDXSALSA-N 1 2 380.536 3.744 20 30 GHEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000180314498 878775447 /nfs/dbraw/zinc/77/54/47/878775447.db2.gz YLJGCDNOZXRMOO-JLHYYAGUSA-N 1 2 380.469 3.947 20 30 GHEDLO C[C@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1c(F)cccc1F ZINC000538122866 878847663 /nfs/dbraw/zinc/84/76/63/878847663.db2.gz SZYWESLWSXQJBU-ZDUSSCGKSA-N 1 2 396.359 3.802 20 30 GHEDLO CC(C)(C)OC(=O)NCc1ccc(C(N)=[NH+]OCCC2SCCS2)cc1 ZINC000853690011 879222138 /nfs/dbraw/zinc/22/21/38/879222138.db2.gz YTTIQFZZJLKLIL-UHFFFAOYSA-N 1 2 397.566 3.544 20 30 GHEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cn(-c3ccccc3)nc2-c2cccnc2)n1 ZINC000789762031 879241610 /nfs/dbraw/zinc/24/16/10/879241610.db2.gz RDVFMFOHGSOYEH-UHFFFAOYSA-N 1 2 396.498 3.786 20 30 GHEDLO C#CCn1ccc(C[N@H+](CC)Cc2cn(-c3ccccc3)nc2-c2cccnc2)n1 ZINC000789762031 879241626 /nfs/dbraw/zinc/24/16/26/879241626.db2.gz RDVFMFOHGSOYEH-UHFFFAOYSA-N 1 2 396.498 3.786 20 30 GHEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2ccc(-n3cnc4ccccc43)cc2)n1 ZINC000789762030 879242000 /nfs/dbraw/zinc/24/20/00/879242000.db2.gz RBIOSHHUJPNZCP-UHFFFAOYSA-N 1 2 399.498 3.504 20 30 GHEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2ccc(-n3cnc4ccccc43)cc2)n1 ZINC000789762030 879242033 /nfs/dbraw/zinc/24/20/33/879242033.db2.gz RBIOSHHUJPNZCP-UHFFFAOYSA-N 1 2 399.498 3.504 20 30 GHEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000790272215 879584712 /nfs/dbraw/zinc/58/47/12/879584712.db2.gz UBJYSVGLKRROQG-OAQYLSRUSA-N 1 2 379.460 3.774 20 30 GHEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000790272215 879584724 /nfs/dbraw/zinc/58/47/24/879584724.db2.gz UBJYSVGLKRROQG-OAQYLSRUSA-N 1 2 379.460 3.774 20 30 GHEDLO N#Cc1ccc(S(=O)(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc1 ZINC000790420678 879702441 /nfs/dbraw/zinc/70/24/41/879702441.db2.gz CUOIVQAFCFDTNT-UHFFFAOYSA-N 1 2 379.441 3.526 20 30 GHEDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)[C@H](C)CO1 ZINC000854302741 879707452 /nfs/dbraw/zinc/70/74/52/879707452.db2.gz FYFZNPRVAYRLOY-JBYIUTFZSA-N 1 2 392.503 3.573 20 30 GHEDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)[C@H](C)CO1 ZINC000854302741 879707456 /nfs/dbraw/zinc/70/74/56/879707456.db2.gz FYFZNPRVAYRLOY-JBYIUTFZSA-N 1 2 392.503 3.573 20 30 GHEDLO C=C(C)COc1cc(C[NH+]2CCN([C@H](C)c3nccs3)CC2)ccc1OC ZINC000185617070 880635994 /nfs/dbraw/zinc/63/59/94/880635994.db2.gz HYKWVEXHGCZSOR-QGZVFWFLSA-N 1 2 387.549 3.985 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)c(OC(F)F)c1 ZINC000792385366 881072714 /nfs/dbraw/zinc/07/27/14/881072714.db2.gz LRGGFFVYOAVBRE-UHFFFAOYSA-N 1 2 377.366 3.737 20 30 GHEDLO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cc2c(cc1OCCOC)OCO2 ZINC000120008039 881216401 /nfs/dbraw/zinc/21/64/01/881216401.db2.gz AARAZVRVSRAWPD-UHFFFAOYSA-N 1 2 380.444 3.500 20 30 GHEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc2c(cc1OCCOC)OCO2 ZINC000120008039 881216418 /nfs/dbraw/zinc/21/64/18/881216418.db2.gz AARAZVRVSRAWPD-UHFFFAOYSA-N 1 2 380.444 3.500 20 30 GHEDLO CCC1(CC)C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC[S@@]1=O ZINC000187556991 881228482 /nfs/dbraw/zinc/22/84/82/881228482.db2.gz LTVPLANKEAUGMW-MHZLTWQESA-N 1 2 384.549 3.587 20 30 GHEDLO CCC1(CC)C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC[S@@]1=O ZINC000187556991 881228492 /nfs/dbraw/zinc/22/84/92/881228492.db2.gz LTVPLANKEAUGMW-MHZLTWQESA-N 1 2 384.549 3.587 20 30 GHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@](C)(C#N)CCc1ccccc1 ZINC000475754922 883218750 /nfs/dbraw/zinc/21/87/50/883218750.db2.gz KEFQCDGFYYVTPS-NRFANRHFSA-N 1 2 382.414 3.654 20 30 GHEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183384330 883263259 /nfs/dbraw/zinc/26/32/59/883263259.db2.gz XDEIMTINEHMKCY-KRWDZBQOSA-N 1 2 385.464 3.533 20 30 GHEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183384330 883263273 /nfs/dbraw/zinc/26/32/73/883263273.db2.gz XDEIMTINEHMKCY-KRWDZBQOSA-N 1 2 385.464 3.533 20 30 GHEDLO C#C[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Cl)cc1F ZINC000805003441 883548145 /nfs/dbraw/zinc/54/81/45/883548145.db2.gz PNRUEYDLYSWTLA-LJQANCHMSA-N 1 2 382.826 3.839 20 30 GHEDLO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000805773988 884054082 /nfs/dbraw/zinc/05/40/82/884054082.db2.gz YGFNLZLBXUMJJI-KRWDZBQOSA-N 1 2 379.888 3.733 20 30 GHEDLO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000805773988 884054094 /nfs/dbraw/zinc/05/40/94/884054094.db2.gz YGFNLZLBXUMJJI-KRWDZBQOSA-N 1 2 379.888 3.733 20 30 GHEDLO N#CCCCOc1cccc(C[NH+]2CCN(C(=O)CCC3CCCC3)CC2)c1 ZINC000130317408 884505036 /nfs/dbraw/zinc/50/50/36/884505036.db2.gz ZTPHTQVWEXNAFD-UHFFFAOYSA-N 1 2 383.536 3.984 20 30 GHEDLO COc1ccc(C[N@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)c(OC)c1 ZINC000051454949 884812339 /nfs/dbraw/zinc/81/23/39/884812339.db2.gz DIGCCIAWWDVKQQ-UHFFFAOYSA-N 1 2 395.503 3.699 20 30 GHEDLO COc1ccc(C[N@@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)c(OC)c1 ZINC000051454949 884812351 /nfs/dbraw/zinc/81/23/51/884812351.db2.gz DIGCCIAWWDVKQQ-UHFFFAOYSA-N 1 2 395.503 3.699 20 30 GHEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)C#Cc1ccccc1 ZINC000747379119 885326816 /nfs/dbraw/zinc/32/68/16/885326816.db2.gz DVODBAVNTYFLMS-UHFFFAOYSA-N 1 2 387.483 3.752 20 30 GHEDLO N#Cc1ccccc1COc1cccc(CN2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000508658689 885363543 /nfs/dbraw/zinc/36/35/43/885363543.db2.gz VEYJHZRRDISLGO-UHFFFAOYSA-N 1 2 398.510 3.850 20 30 GHEDLO C=CCn1c2nn(C[N@H+]3CC4(CCC4)C[C@H]3C)c(=S)n2c2ccccc2c1=O ZINC000762147401 885497956 /nfs/dbraw/zinc/49/79/56/885497956.db2.gz ZYZXIWUDJGTCMY-OAHLLOKOSA-N 1 2 395.532 3.588 20 30 GHEDLO C=CCn1c2nn(C[N@@H+]3CC4(CCC4)C[C@H]3C)c(=S)n2c2ccccc2c1=O ZINC000762147401 885497963 /nfs/dbraw/zinc/49/79/63/885497963.db2.gz ZYZXIWUDJGTCMY-OAHLLOKOSA-N 1 2 395.532 3.588 20 30 GHEDLO CCN(C(=O)C#Cc1ccccc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000747403951 885565142 /nfs/dbraw/zinc/56/51/42/885565142.db2.gz CLHVNTYJKYTCIA-UHFFFAOYSA-N 1 2 390.531 3.777 20 30 GHEDLO C=CCOc1ccc(C[NH+]2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cc1 ZINC000119405513 886662528 /nfs/dbraw/zinc/66/25/28/886662528.db2.gz SQKRMTFGMQNFHD-UHFFFAOYSA-N 1 2 393.531 3.625 20 30 GHEDLO Clc1nc(N2CCCC2)sc1C=[NH+]NCCCOCc1ccccc1 ZINC000863178254 886904889 /nfs/dbraw/zinc/90/48/89/886904889.db2.gz IVULSRLQRLTWOM-UHFFFAOYSA-N 1 2 378.929 3.927 20 30 GHEDLO C[C@H]([C@H](C)NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[NH+]1CCOCC1 ZINC000105022509 887310692 /nfs/dbraw/zinc/31/06/92/887310692.db2.gz DBMZLTZFTWUGFR-DLBZAZTESA-N 1 2 394.475 3.581 20 30 GHEDLO Cn1c(CC#N)nn(C[N@H+](Cc2ccccc2)[C@H]2CC(C)(C)OC2(C)C)c1=S ZINC000794639268 887670230 /nfs/dbraw/zinc/67/02/30/887670230.db2.gz KLOKMKOZKDGMOC-KRWDZBQOSA-N 1 2 399.564 3.823 20 30 GHEDLO Cn1c(CC#N)nn(C[N@@H+](Cc2ccccc2)[C@H]2CC(C)(C)OC2(C)C)c1=S ZINC000794639268 887670241 /nfs/dbraw/zinc/67/02/41/887670241.db2.gz KLOKMKOZKDGMOC-KRWDZBQOSA-N 1 2 399.564 3.823 20 30 GHEDLO Cc1c(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)nnn1-c1ccc(Cl)cc1 ZINC000794706799 887917861 /nfs/dbraw/zinc/91/78/61/887917861.db2.gz IBDKDLMJPUGHQE-HJWRWDBZSA-N 1 2 387.896 3.643 20 30 GHEDLO N#Cc1cccc(C[N@H+]2CCC[C@]23CCN(CCC(F)(F)F)C3=O)c1Cl ZINC001275308056 913204613 /nfs/dbraw/zinc/20/46/13/913204613.db2.gz JRWJVBGNARTNPM-QGZVFWFLSA-N 1 2 385.817 3.731 20 30 GHEDLO N#Cc1cccc(C[N@@H+]2CCC[C@]23CCN(CCC(F)(F)F)C3=O)c1Cl ZINC001275308056 913204633 /nfs/dbraw/zinc/20/46/33/913204633.db2.gz JRWJVBGNARTNPM-QGZVFWFLSA-N 1 2 385.817 3.731 20 30 GHEDLO Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCc1c[nH+]cn1C ZINC000475939798 888843645 /nfs/dbraw/zinc/84/36/45/888843645.db2.gz QJPUJEYCNKOUCT-UHFFFAOYSA-N 1 2 376.435 3.905 20 30 GHEDLO N#CC[C@@H]1CC[C@H](NC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000454483726 889160863 /nfs/dbraw/zinc/16/08/63/889160863.db2.gz KSCPFNJQLNDHOG-WBAXXEDZSA-N 1 2 392.906 3.825 20 30 GHEDLO N#CC[C@@H]1CC[C@H](NC(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000454483726 889160867 /nfs/dbraw/zinc/16/08/67/889160867.db2.gz KSCPFNJQLNDHOG-WBAXXEDZSA-N 1 2 392.906 3.825 20 30 GHEDLO N#Cc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccc(Br)cc3)C2)cc1 ZINC001184774461 913426015 /nfs/dbraw/zinc/42/60/15/913426015.db2.gz GNANQAHCLQTUMA-SFHVURJKSA-N 1 2 399.292 3.717 20 30 GHEDLO N#Cc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccc(Br)cc3)C2)cc1 ZINC001184774461 913426020 /nfs/dbraw/zinc/42/60/20/913426020.db2.gz GNANQAHCLQTUMA-SFHVURJKSA-N 1 2 399.292 3.717 20 30 GHEDLO S=C(NCCc1ccc(Cl)cc1)NN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000917028044 890760517 /nfs/dbraw/zinc/76/05/17/890760517.db2.gz MGKGYJLNKXZBHN-UHFFFAOYSA-N 1 2 383.908 3.566 20 30 GHEDLO N#Cc1cc(Br)ccc1C[NH2+][C@@H](CN1CCCC1=O)c1ccccc1 ZINC000287692424 913489641 /nfs/dbraw/zinc/48/96/41/913489641.db2.gz ITDFDLNFJGFQQW-IBGZPJMESA-N 1 2 398.304 3.774 20 30 GHEDLO C=CCC1(CNC(=O)N2CCC[C@@H]([N@H+](C)Cc3noc(C)n3)CC2)CCCC1 ZINC000455483090 891033392 /nfs/dbraw/zinc/03/33/92/891033392.db2.gz UHDSUBGGKDITJT-GOSISDBHSA-N 1 2 389.544 3.510 20 30 GHEDLO C=CCC1(CNC(=O)N2CCC[C@@H]([N@@H+](C)Cc3noc(C)n3)CC2)CCCC1 ZINC000455483090 891033405 /nfs/dbraw/zinc/03/34/05/891033405.db2.gz UHDSUBGGKDITJT-GOSISDBHSA-N 1 2 389.544 3.510 20 30 GHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 ZINC000813215165 891368852 /nfs/dbraw/zinc/36/88/52/891368852.db2.gz SZEHFASMNSAXLR-NSHDSACASA-N 1 2 394.303 3.913 20 30 GHEDLO N#Cc1ccc(I)c(Nc2ccc[nH+]c2N2CCCC2)c1 ZINC001184964514 913550911 /nfs/dbraw/zinc/55/09/11/913550911.db2.gz LMUBAGJWKMBGMF-UHFFFAOYSA-N 1 2 390.228 3.902 20 30 GHEDLO CC(C)Oc1cccc(CN2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])c1 ZINC000917141064 891454778 /nfs/dbraw/zinc/45/47/78/891454778.db2.gz IBEVIRNINVHAAO-UHFFFAOYSA-N 1 2 390.487 3.634 20 30 GHEDLO N#CCCc1ccc(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)cc1 ZINC001133750025 891603731 /nfs/dbraw/zinc/60/37/31/891603731.db2.gz CFVZLBPJABQNQA-UHFFFAOYSA-N 1 2 387.443 3.620 20 30 GHEDLO C[N@@H+]1CCO[C@H]([C@@H](Nc2c(C#N)nnc3ccccc32)c2ccc(Cl)cc2)C1 ZINC000497521752 891815714 /nfs/dbraw/zinc/81/57/14/891815714.db2.gz HJRCYPPZTOTJCR-PMACEKPBSA-N 1 2 393.878 3.639 20 30 GHEDLO C[N@H+]1CCO[C@H]([C@@H](Nc2c(C#N)nnc3ccccc32)c2ccc(Cl)cc2)C1 ZINC000497521752 891815716 /nfs/dbraw/zinc/81/57/16/891815716.db2.gz HJRCYPPZTOTJCR-PMACEKPBSA-N 1 2 393.878 3.639 20 30 GHEDLO C=CC[N@@H+](CCc1ccco1)Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000272224643 892893901 /nfs/dbraw/zinc/89/39/01/892893901.db2.gz COPZBVKBWUWIEB-UHFFFAOYSA-N 1 2 390.484 3.653 20 30 GHEDLO C=CC[N@H+](CCc1ccco1)Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1 ZINC000272224643 892893912 /nfs/dbraw/zinc/89/39/12/892893912.db2.gz COPZBVKBWUWIEB-UHFFFAOYSA-N 1 2 390.484 3.653 20 30 GHEDLO COC(=O)c1cccc(C[N@@H+](Cc2cccc(OC)c2)C[C@@H]2CCCO2)c1C#N ZINC000533777276 892941259 /nfs/dbraw/zinc/94/12/59/892941259.db2.gz XVTYMHHAAMCTKB-FQEVSTJZSA-N 1 2 394.471 3.535 20 30 GHEDLO COC(=O)c1cccc(C[N@H+](Cc2cccc(OC)c2)C[C@@H]2CCCO2)c1C#N ZINC000533777276 892941267 /nfs/dbraw/zinc/94/12/67/892941267.db2.gz XVTYMHHAAMCTKB-FQEVSTJZSA-N 1 2 394.471 3.535 20 30 GHEDLO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3cc(C#N)ccc3N(C)C)n2)c1 ZINC000877469989 893627467 /nfs/dbraw/zinc/62/74/67/893627467.db2.gz CGOSUYVPBVGSFU-AWEZNQCLSA-N 1 2 377.448 3.534 20 30 GHEDLO N#Cc1cnc(Cl)c(C[N@@H+]2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c1 ZINC000877490706 893642480 /nfs/dbraw/zinc/64/24/80/893642480.db2.gz DRQDFOXSXAEDQU-KRWDZBQOSA-N 1 2 398.894 3.745 20 30 GHEDLO N#Cc1cnc(Cl)c(C[N@H+]2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c1 ZINC000877490706 893642482 /nfs/dbraw/zinc/64/24/82/893642482.db2.gz DRQDFOXSXAEDQU-KRWDZBQOSA-N 1 2 398.894 3.745 20 30 GHEDLO COc1ccc([C@H]2C[N@H+](Cc3ccc(OC)c(OCCCC#N)c3)CCO2)cc1 ZINC000877757573 893795688 /nfs/dbraw/zinc/79/56/88/893795688.db2.gz NVVRBHBGLOEKAV-HSZRJFAPSA-N 1 2 396.487 3.960 20 30 GHEDLO COc1ccc([C@H]2C[N@@H+](Cc3ccc(OC)c(OCCCC#N)c3)CCO2)cc1 ZINC000877757573 893795696 /nfs/dbraw/zinc/79/56/96/893795696.db2.gz NVVRBHBGLOEKAV-HSZRJFAPSA-N 1 2 396.487 3.960 20 30 GHEDLO N#Cc1cc(NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c(F)cc1F ZINC000880712545 895825301 /nfs/dbraw/zinc/82/53/01/895825301.db2.gz QZGMUIJCLHXBMM-UHFFFAOYSA-N 1 2 385.418 3.781 20 30 GHEDLO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000565849751 895929638 /nfs/dbraw/zinc/92/96/38/895929638.db2.gz JKLBCDGVPZDWMP-QGZVFWFLSA-N 1 2 393.487 3.949 20 30 GHEDLO Cc1cc(F)c(C#N)cc1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000880989839 896050635 /nfs/dbraw/zinc/05/06/35/896050635.db2.gz JVAQJBUFPFJZQT-UHFFFAOYSA-N 1 2 381.455 3.950 20 30 GHEDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C ZINC000819520041 896807144 /nfs/dbraw/zinc/80/71/44/896807144.db2.gz SRHPKKHQNPHQBT-INIZCTEOSA-N 1 2 397.479 3.911 20 30 GHEDLO N#Cc1cccc(OCCCCC(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC000882872794 897060654 /nfs/dbraw/zinc/06/06/54/897060654.db2.gz MANHQWCQSJKRPA-JOCHJYFZSA-N 1 2 388.471 3.862 20 30 GHEDLO CCOc1ccc([C@@H](C)NC(=O)CCC/[NH+]=C/c2cccc(OC)c2O)cc1 ZINC000132446934 897790870 /nfs/dbraw/zinc/79/08/70/897790870.db2.gz HYZCVNFSMXSMOW-LGVXEURYSA-N 1 2 384.476 3.876 20 30 GHEDLO Cc1cc(N2CC[NH+]([C@H](C)c3ccc(Br)cc3)CC2)cc(C#N)n1 ZINC000569030161 898286387 /nfs/dbraw/zinc/28/63/87/898286387.db2.gz FNTJJKZOHSFUPM-OAHLLOKOSA-N 1 2 385.309 3.907 20 30 GHEDLO COC(=O)c1ccc(C(=[NH2+])Nc2cc(Cl)nc3c(F)cc(F)cc23)cc1 ZINC001170989110 898432522 /nfs/dbraw/zinc/43/25/22/898432522.db2.gz ZDZZKYPADBUPQD-UHFFFAOYSA-N 1 2 375.762 3.990 20 30 GHEDLO C=CCOc1ccc(-c2nn(C[N@H+]3CCC[C@H]3C[C@H](C)O)c(=S)o2)cc1 ZINC000155375246 898700452 /nfs/dbraw/zinc/70/04/52/898700452.db2.gz VLJDNTICBJOPIN-HOCLYGCPSA-N 1 2 375.494 3.630 20 30 GHEDLO C=CCOc1ccc(-c2nn(C[N@@H+]3CCC[C@H]3C[C@H](C)O)c(=S)o2)cc1 ZINC000155375246 898700460 /nfs/dbraw/zinc/70/04/60/898700460.db2.gz VLJDNTICBJOPIN-HOCLYGCPSA-N 1 2 375.494 3.630 20 30 GHEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccccc1-c1ccccc1 ZINC000570720088 899531080 /nfs/dbraw/zinc/53/10/80/899531080.db2.gz XWKSJAZKRRQMRU-UHFFFAOYSA-N 1 2 391.496 3.526 20 30 GHEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccccc1-c1ccccc1 ZINC000570720088 899531088 /nfs/dbraw/zinc/53/10/88/899531088.db2.gz XWKSJAZKRRQMRU-UHFFFAOYSA-N 1 2 391.496 3.526 20 30 GHEDLO C=CCOC[C@@H]1C[N@@H+](Cc2c[nH]c3cccc(F)c23)Cc2nnn(CC3CC3)c21 ZINC001136981429 899948088 /nfs/dbraw/zinc/94/80/88/899948088.db2.gz OLFPYPTUKGZAQW-KRWDZBQOSA-N 1 2 395.482 3.611 20 30 GHEDLO C=CCOC[C@@H]1C[N@H+](Cc2c[nH]c3cccc(F)c23)Cc2nnn(CC3CC3)c21 ZINC001136981429 899948091 /nfs/dbraw/zinc/94/80/91/899948091.db2.gz OLFPYPTUKGZAQW-KRWDZBQOSA-N 1 2 395.482 3.611 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1=S ZINC000884482874 900127363 /nfs/dbraw/zinc/12/73/63/900127363.db2.gz JAIJRZFQGAGKIJ-AEFFLSMTSA-N 1 2 388.512 3.865 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1=S ZINC000884482874 900127370 /nfs/dbraw/zinc/12/73/70/900127370.db2.gz JAIJRZFQGAGKIJ-AEFFLSMTSA-N 1 2 388.512 3.865 20 30 GHEDLO Cc1sc2[nH]c([C@H](C)[N@H+](C)C[C@H](O)c3cccc(C#N)c3)nc(=O)c2c1C ZINC000844365818 900776958 /nfs/dbraw/zinc/77/69/58/900776958.db2.gz IQBBLZIERVXRRE-LRDDRELGSA-N 1 2 382.489 3.612 20 30 GHEDLO Cc1sc2[nH]c([C@H](C)[N@@H+](C)C[C@H](O)c3cccc(C#N)c3)nc(=O)c2c1C ZINC000844365818 900776961 /nfs/dbraw/zinc/77/69/61/900776961.db2.gz IQBBLZIERVXRRE-LRDDRELGSA-N 1 2 382.489 3.612 20 30 GHEDLO N#Cc1cncc(C[NH+]2CCN(c3ccc(OCc4ccccc4)cc3)CC2)c1 ZINC001144086073 901030763 /nfs/dbraw/zinc/03/07/63/901030763.db2.gz LBEXYNRPBYOAKV-UHFFFAOYSA-N 1 2 384.483 3.854 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000574847260 901034213 /nfs/dbraw/zinc/03/42/13/901034213.db2.gz SVUHJBLYYMQULE-OAQYLSRUSA-N 1 2 381.863 3.620 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000574847260 901034225 /nfs/dbraw/zinc/03/42/25/901034225.db2.gz SVUHJBLYYMQULE-OAQYLSRUSA-N 1 2 381.863 3.620 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2cncc(C#N)c2)[C@@H](Cc2ccccc2)C1 ZINC001144079244 901045694 /nfs/dbraw/zinc/04/56/94/901045694.db2.gz DPUVEQQSRNNDIL-NRFANRHFSA-N 1 2 392.503 3.617 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2cncc(C#N)c2)[C@@H](Cc2ccccc2)C1 ZINC001144079244 901045706 /nfs/dbraw/zinc/04/57/06/901045706.db2.gz DPUVEQQSRNNDIL-NRFANRHFSA-N 1 2 392.503 3.617 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+]2CCc3ccccc3[C@H](C)C2)c1=S ZINC000844743799 901223539 /nfs/dbraw/zinc/22/35/39/901223539.db2.gz ZSALJZZOZAGGLY-MRXNPFEDSA-N 1 2 392.532 3.676 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+]2CCc3ccccc3[C@H](C)C2)c1=S ZINC000844743799 901223547 /nfs/dbraw/zinc/22/35/47/901223547.db2.gz ZSALJZZOZAGGLY-MRXNPFEDSA-N 1 2 392.532 3.676 20 30 GHEDLO C[C@H](CC(=O)[C@@H](C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)n1cc[nH+]c1 ZINC000845528508 902232943 /nfs/dbraw/zinc/23/29/43/902232943.db2.gz IDUYELIFFJNGOO-TYNCELHUSA-N 1 2 393.274 3.727 20 30 GHEDLO C=CCn1c(-c2cccc(OC)c2)nn(C[N@H+](C)C[C@H]2CCCOC2)c1=S ZINC000159027327 902463888 /nfs/dbraw/zinc/46/38/88/902463888.db2.gz DRWVAZKTMRMCEW-MRXNPFEDSA-N 1 2 388.537 3.592 20 30 GHEDLO C=CCn1c(-c2cccc(OC)c2)nn(C[N@@H+](C)C[C@H]2CCCOC2)c1=S ZINC000159027327 902463895 /nfs/dbraw/zinc/46/38/95/902463895.db2.gz DRWVAZKTMRMCEW-MRXNPFEDSA-N 1 2 388.537 3.592 20 30 GHEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)CSc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000264027917 902785340 /nfs/dbraw/zinc/78/53/40/902785340.db2.gz UFWHEDNXTNBXEE-IAGOWNOFSA-N 1 2 395.528 3.898 20 30 GHEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3cccc(OCC#N)c3)CC2)c1 ZINC000264151063 902877879 /nfs/dbraw/zinc/87/78/79/902877879.db2.gz QKHUOKMLSUKVFT-KRWDZBQOSA-N 1 2 394.475 3.508 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000578985631 904277563 /nfs/dbraw/zinc/27/75/63/904277563.db2.gz WWLYFUINHQEMHT-HOCLYGCPSA-N 1 2 381.501 3.589 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000578985631 904277577 /nfs/dbraw/zinc/27/75/77/904277577.db2.gz WWLYFUINHQEMHT-HOCLYGCPSA-N 1 2 381.501 3.589 20 30 GHEDLO C=CCOc1ccc(CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000579575992 904716147 /nfs/dbraw/zinc/71/61/47/904716147.db2.gz GCBFCZJIPXKEAV-UHFFFAOYSA-N 1 2 394.519 3.873 20 30 GHEDLO COC(=O)[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171969303 905160646 /nfs/dbraw/zinc/16/06/46/905160646.db2.gz IRJGKQDNRAZJIW-IFXJQAMLSA-N 1 2 390.405 3.882 20 30 GHEDLO Cc1nc(/C=C2\CN(c3ccccc3)C/C(=C\c3[nH]c(C)c(C)[nH+]3)C2=O)[nH]c1C ZINC000901467564 921136480 /nfs/dbraw/zinc/13/64/80/921136480.db2.gz SGHAIYOEIMMGHU-XOBNHNQQSA-N 1 2 387.487 3.923 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)cc1 ZINC001175873110 907811239 /nfs/dbraw/zinc/81/12/39/907811239.db2.gz MPGRTYMZSAMFRB-BQFCYCMXSA-N 1 2 397.441 3.672 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)cc1 ZINC001175873110 907811244 /nfs/dbraw/zinc/81/12/44/907811244.db2.gz MPGRTYMZSAMFRB-BQFCYCMXSA-N 1 2 397.441 3.672 20 30 GHEDLO C=CCn1cc(Nc2cccc(C[NH+]3CCN(C(=O)OC(C)(C)C)CC3)c2)cn1 ZINC001176548565 908173150 /nfs/dbraw/zinc/17/31/50/908173150.db2.gz HUYUFUNQHKRLNL-UHFFFAOYSA-N 1 2 397.523 3.865 20 30 GHEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc3c(C)nn(-c4ccccc4C)c3s2)C1 ZINC001177758469 908740762 /nfs/dbraw/zinc/74/07/62/908740762.db2.gz AJSPSIOSGARTEJ-KRWDZBQOSA-N 1 2 392.528 3.531 20 30 GHEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc3c(C)nn(-c4ccccc4C)c3s2)C1 ZINC001177758469 908740770 /nfs/dbraw/zinc/74/07/70/908740770.db2.gz AJSPSIOSGARTEJ-KRWDZBQOSA-N 1 2 392.528 3.531 20 30 GHEDLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000635185314 909177272 /nfs/dbraw/zinc/17/72/72/909177272.db2.gz UXAOHVDQZNCTKW-AWEZNQCLSA-N 1 2 389.299 3.563 20 30 GHEDLO CO[C@@H](C)c1nc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cs1 ZINC000267031646 909370983 /nfs/dbraw/zinc/37/09/83/909370983.db2.gz VIPKTBLWBFIETK-AWEZNQCLSA-N 1 2 384.505 3.573 20 30 GHEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000267470922 909515113 /nfs/dbraw/zinc/51/51/13/909515113.db2.gz URJUNIKQYVLSAT-UHFFFAOYSA-N 1 2 393.491 3.635 20 30 GHEDLO C[C@@H](C#N)OCCN1CC[NH+]([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000801917980 921623722 /nfs/dbraw/zinc/62/37/22/921623722.db2.gz UKWUDLNXIBKLMQ-AVRDEDQJSA-N 1 2 383.923 3.976 20 30 GHEDLO C#Cc1cnc(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+]2CCCCCC2)c(C#C)n1 ZINC001182243502 911324257 /nfs/dbraw/zinc/32/42/57/911324257.db2.gz IWEKJMDNDPQJTH-HXUWFJFHSA-N 1 2 392.890 3.648 20 30 GHEDLO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1nc(C(F)(F)F)cs1 ZINC000274411588 911327994 /nfs/dbraw/zinc/32/79/94/911327994.db2.gz SBKDFPCTUQOKCG-RISCZKNCSA-N 1 2 394.422 3.880 20 30 GHEDLO C[NH+](C)[C@@H](CNC(=O)COc1ccc(C#N)cc1)c1ccc(Cl)cc1Cl ZINC001182920647 912104395 /nfs/dbraw/zinc/10/43/95/912104395.db2.gz ULOUMEWLOLJACH-SFHVURJKSA-N 1 2 392.286 3.663 20 30 GHEDLO CCCCCCCCS(=O)(=O)NC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC001188030681 915723549 /nfs/dbraw/zinc/72/35/49/915723549.db2.gz RZSDPFBEGSXFLO-UHFFFAOYSA-N 1 2 391.581 3.803 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)N2CCC(CC#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000543778927 916088670 /nfs/dbraw/zinc/08/86/70/916088670.db2.gz CQJZPQROWFCCLB-RBUKOAKNSA-N 1 2 392.906 3.950 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)N2CCC(CC#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000543778927 916088691 /nfs/dbraw/zinc/08/86/91/916088691.db2.gz CQJZPQROWFCCLB-RBUKOAKNSA-N 1 2 392.906 3.950 20 30 GHEDLO N#CCc1cccc(C(=O)NC2C[NH+](C(c3ccccc3)c3ccccc3)C2)c1 ZINC001188682177 916106402 /nfs/dbraw/zinc/10/64/02/916106402.db2.gz HQSAGTLMBYAPRD-UHFFFAOYSA-N 1 2 381.479 3.956 20 30 GHEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1 ZINC000293423492 916194884 /nfs/dbraw/zinc/19/48/84/916194884.db2.gz HCCFJKUEUGLQPG-LBPRGKRZSA-N 1 2 394.422 3.553 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC([C@H](O)c3ccccc3C)CC2)c(C#N)c1C ZINC000796407507 916617074 /nfs/dbraw/zinc/61/70/74/916617074.db2.gz MBPXHHOPFFTEMA-IERDGZPVSA-N 1 2 395.503 3.849 20 30 GHEDLO N#CC[C@@H]1CC[C@H](NC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000295569221 917362633 /nfs/dbraw/zinc/36/26/33/917362633.db2.gz OVZJROLENOSMOA-JCGIZDLHSA-N 1 2 390.325 3.785 20 30 GHEDLO Cc1sc2nc(C[NH+]3CCCC3)nc(SCCO[C@H](C)C#N)c2c1C ZINC000802750560 922380840 /nfs/dbraw/zinc/38/08/40/922380840.db2.gz BNHOLJFFTDBCHO-GFCCVEGCSA-N 1 2 376.551 3.925 20 30 GHEDLO CC[C@@H]([NH2+]CC1(OCCO)CCC(C(F)F)CC1)c1cccc(C#N)c1O ZINC000903262525 922889938 /nfs/dbraw/zinc/88/99/38/922889938.db2.gz HFVOXDCYJZJBSH-GBXVCHKXSA-N 1 2 382.451 3.508 20 30 GHEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCCC[C@H]2c2nnc(C3CCOCC3)o2)cc1 ZINC000370157857 923912607 /nfs/dbraw/zinc/91/26/07/923912607.db2.gz AVBVFGFZKKNXJB-JXFKEZNVSA-N 1 2 396.491 3.982 20 30 GHEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCCC[C@H]2c2nnc(C3CCOCC3)o2)cc1 ZINC000370157857 923912617 /nfs/dbraw/zinc/91/26/17/923912617.db2.gz AVBVFGFZKKNXJB-JXFKEZNVSA-N 1 2 396.491 3.982 20 30 GHEDLO N#Cc1cccc(-n2ccc(C(=O)Nc3ccc(-n4cc[nH+]c4)c(Cl)c3)n2)c1 ZINC000409615263 924807427 /nfs/dbraw/zinc/80/74/27/924807427.db2.gz YSDQEAGATCJXCV-UHFFFAOYSA-N 1 2 388.818 3.835 20 30 GHEDLO C#CCCOc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000827558080 925806865 /nfs/dbraw/zinc/80/68/65/925806865.db2.gz USVNXAYWOCWIOR-LEWJYISDSA-N 1 2 384.426 3.542 20 30 GHEDLO C#CCCOc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000827558080 925806868 /nfs/dbraw/zinc/80/68/68/925806868.db2.gz USVNXAYWOCWIOR-LEWJYISDSA-N 1 2 384.426 3.542 20 30 GHEDLO C=C[C@](C)(CCOC)C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000682079321 926003576 /nfs/dbraw/zinc/00/35/76/926003576.db2.gz UDTVRGYPZABPNY-LJQANCHMSA-N 1 2 384.442 3.578 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)C[C@H](CC#N)c2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000373573421 926257480 /nfs/dbraw/zinc/25/74/80/926257480.db2.gz BNEMEQCXZRLJCV-XUEUYAKLSA-N 1 2 383.442 3.914 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)C[C@H](CC#N)c2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000373573421 926257485 /nfs/dbraw/zinc/25/74/85/926257485.db2.gz BNEMEQCXZRLJCV-XUEUYAKLSA-N 1 2 383.442 3.914 20 30 GHEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2ccc(-c3ncco3)cc2F)CC1 ZINC000411374153 926342193 /nfs/dbraw/zinc/34/21/93/926342193.db2.gz KSZAXKNPMVNEQJ-OAQYLSRUSA-N 1 2 376.435 3.863 20 30 GHEDLO CC(=NNc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000726426533 926659463 /nfs/dbraw/zinc/65/94/63/926659463.db2.gz SPOGTFKFLLLNRR-UHFFFAOYSA-N 1 2 390.415 3.705 20 30 GHEDLO CCCC[C@@H](ON=C(C)C)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000758282411 930001429 /nfs/dbraw/zinc/00/14/29/930001429.db2.gz DJNMOTZNVKFBIP-OAQYLSRUSA-N 1 2 388.556 3.809 20 30 GHEDLO CC[NH+](CC)[C@@H](C(=O)OC1CCN(CC#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000780440285 930519990 /nfs/dbraw/zinc/51/99/90/930519990.db2.gz KEIVJXJIEIKLTA-GOSISDBHSA-N 1 2 397.441 3.619 20 30 GHEDLO Cc1noc(C)c1CO[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000547294419 930890001 /nfs/dbraw/zinc/89/00/01/930890001.db2.gz RSHIPNLSPHYEJP-MRXNPFEDSA-N 1 2 377.391 3.556 20 30 GHEDLO Cc1noc(C)c1CO[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000547294419 930890002 /nfs/dbraw/zinc/89/00/02/930890002.db2.gz RSHIPNLSPHYEJP-MRXNPFEDSA-N 1 2 377.391 3.556 20 30 GHEDLO COc1cccc2c1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1)C2 ZINC000782527826 931257792 /nfs/dbraw/zinc/25/77/92/931257792.db2.gz VJKRPJOQBWBCCH-SFHVURJKSA-N 1 2 377.488 3.697 20 30 GHEDLO COc1cccc2c1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1)C2 ZINC000782527826 931257798 /nfs/dbraw/zinc/25/77/98/931257798.db2.gz VJKRPJOQBWBCCH-SFHVURJKSA-N 1 2 377.488 3.697 20 30 GHEDLO Cc1ccc(-c2noc(CO[NH+]=C(N)c3ccc(Br)cc3)n2)cc1 ZINC000782949794 931372801 /nfs/dbraw/zinc/37/28/01/931372801.db2.gz LSACEFQTCMCTRV-UHFFFAOYSA-N 1 2 387.237 3.645 20 30 GHEDLO C=CCOc1ccc(CNC(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000557431677 931423187 /nfs/dbraw/zinc/42/31/87/931423187.db2.gz PYNSEJVVWMIWMR-UHFFFAOYSA-N 1 2 390.487 3.538 20 30 GHEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H](C)c1cc2ccccc2o1 ZINC000558165381 931867757 /nfs/dbraw/zinc/86/77/57/931867757.db2.gz MBOCMIRHKUMIJY-HNNXBMFYSA-N 1 2 383.473 3.556 20 30 GHEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H](C)c1cc2ccccc2o1 ZINC000558165381 931867760 /nfs/dbraw/zinc/86/77/60/931867760.db2.gz MBOCMIRHKUMIJY-HNNXBMFYSA-N 1 2 383.473 3.556 20 30 GHEDLO CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@H](C)c1cc2ccccc2o1 ZINC000558165382 931867886 /nfs/dbraw/zinc/86/78/86/931867886.db2.gz MBOCMIRHKUMIJY-OAHLLOKOSA-N 1 2 383.473 3.556 20 30 GHEDLO CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@H](C)c1cc2ccccc2o1 ZINC000558165382 931867888 /nfs/dbraw/zinc/86/78/88/931867888.db2.gz MBOCMIRHKUMIJY-OAHLLOKOSA-N 1 2 383.473 3.556 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(N(C)c3ccccc3)nc2)c1 ZINC000798075000 932519070 /nfs/dbraw/zinc/51/90/70/932519070.db2.gz IUKGPHCLKVXXTL-UHFFFAOYSA-N 1 2 384.483 3.901 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(N(C)c3ccccc3)nc2)c1 ZINC000798075000 932519074 /nfs/dbraw/zinc/51/90/74/932519074.db2.gz IUKGPHCLKVXXTL-UHFFFAOYSA-N 1 2 384.483 3.901 20 30 GHEDLO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000798275732 932588057 /nfs/dbraw/zinc/58/80/57/932588057.db2.gz UDJRPWRQSXDQEG-AZUAARDMSA-N 1 2 384.524 3.526 20 30 GHEDLO COc1ccc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c2ccccc12 ZINC000798275354 932589008 /nfs/dbraw/zinc/58/90/08/932589008.db2.gz QHEGIJBFNROWPN-APWZRJJASA-N 1 2 381.476 3.697 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000799190134 932906807 /nfs/dbraw/zinc/90/68/07/932906807.db2.gz KQEJQGBRVIQLNP-SJORKVTESA-N 1 2 380.517 3.904 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000799190134 932906823 /nfs/dbraw/zinc/90/68/23/932906823.db2.gz KQEJQGBRVIQLNP-SJORKVTESA-N 1 2 380.517 3.904 20 30 GHEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+](C)[C@H]2CC[C@@H](SC)C2)c1=S ZINC001116292754 933460825 /nfs/dbraw/zinc/46/08/25/933460825.db2.gz DGWKLUOJURQNDO-LSDHHAIUSA-N 1 2 375.567 3.835 20 30 GHEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+](C)[C@H]2CC[C@@H](SC)C2)c1=S ZINC001116292754 933460835 /nfs/dbraw/zinc/46/08/35/933460835.db2.gz DGWKLUOJURQNDO-LSDHHAIUSA-N 1 2 375.567 3.835 20 30 GHEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)c(C#N)c1C ZINC001116345940 933497008 /nfs/dbraw/zinc/49/70/08/933497008.db2.gz IRKLBYZUIFZUAO-HNNXBMFYSA-N 1 2 393.516 3.931 20 30 GHEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)c(C#N)c1C ZINC001116345940 933497020 /nfs/dbraw/zinc/49/70/20/933497020.db2.gz IRKLBYZUIFZUAO-HNNXBMFYSA-N 1 2 393.516 3.931 20 30 GHEDLO Cc1cc(C[N@@H+]2CCCN(c3c(C#N)cnc4c(Cl)cccc43)CC2)no1 ZINC001118120908 934091372 /nfs/dbraw/zinc/09/13/72/934091372.db2.gz JWHXDWHVBVFYIK-UHFFFAOYSA-N 1 2 381.867 3.769 20 30 GHEDLO Cc1cc(C[N@H+]2CCCN(c3c(C#N)cnc4c(Cl)cccc43)CC2)no1 ZINC001118120908 934091383 /nfs/dbraw/zinc/09/13/83/934091383.db2.gz JWHXDWHVBVFYIK-UHFFFAOYSA-N 1 2 381.867 3.769 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC=C(c2ccccc2)C1 ZINC001121711903 934744986 /nfs/dbraw/zinc/74/49/86/934744986.db2.gz DKLODJUWDDNSQJ-UHFFFAOYSA-N 1 2 390.535 3.685 20 30 GHEDLO C=CCN(c1nnc(C2CC[NH+](CCC#N)CC2)n1Cc1ccccc1)C1CC1 ZINC001122077925 934816174 /nfs/dbraw/zinc/81/61/74/934816174.db2.gz UDTVYJXDTUGRSC-UHFFFAOYSA-N 1 2 390.535 3.574 20 30 GHEDLO CC(=O)N1CCC([N@H+](Cc2cncs2)Cc2ccc(C#N)cc2Cl)CC1 ZINC000562367240 934838612 /nfs/dbraw/zinc/83/86/12/934838612.db2.gz NHVLNKXZVJIONJ-UHFFFAOYSA-N 1 2 388.924 3.681 20 30 GHEDLO CC(=O)N1CCC([N@@H+](Cc2cncs2)Cc2ccc(C#N)cc2Cl)CC1 ZINC000562367240 934838616 /nfs/dbraw/zinc/83/86/16/934838616.db2.gz NHVLNKXZVJIONJ-UHFFFAOYSA-N 1 2 388.924 3.681 20 30 GHEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@@H]1c1cccc(F)c1 ZINC001122399444 934862104 /nfs/dbraw/zinc/86/21/04/934862104.db2.gz BLDIADKCIRWNIT-GOSISDBHSA-N 1 2 380.471 3.659 20 30 GHEDLO Cc1c(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cnn1-c1cc[nH+]cc1 ZINC001122499844 934883636 /nfs/dbraw/zinc/88/36/36/934883636.db2.gz LYYNNSCBQOGVRX-AWEZNQCLSA-N 1 2 392.369 3.811 20 30 GHEDLO C=C(C)Cn1c(C[C@@H](C)SC)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001122596488 934912675 /nfs/dbraw/zinc/91/26/75/934912675.db2.gz UQPGXGCYFXNBTI-MRXNPFEDSA-N 1 2 386.569 3.624 20 30 GHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2[nH]c(-c3ccccc3Cl)nc2c1 ZINC001137561673 935587989 /nfs/dbraw/zinc/58/79/89/935587989.db2.gz XDJBBHPDGWTSFT-IBGZPJMESA-N 1 2 378.863 3.919 20 30 GHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2[nH]c(-c3ccccc3Cl)nc2c1 ZINC001137561673 935587994 /nfs/dbraw/zinc/58/79/94/935587994.db2.gz XDJBBHPDGWTSFT-IBGZPJMESA-N 1 2 378.863 3.919 20 30 GHEDLO COc1ccc(Br)c(C[NH+]2CCN(c3ccccc3C#N)CC2)c1 ZINC001137904237 935858066 /nfs/dbraw/zinc/85/80/66/935858066.db2.gz TXNCZTJMLBYXNC-UHFFFAOYSA-N 1 2 386.293 3.652 20 30 GHEDLO CC[N@@H+]1CCC[C@H](Oc2c(Br)cc(C#N)cc2Br)C1 ZINC001227345375 1032383476 /nfs/dbraw/zinc/38/34/76/1032383476.db2.gz OOUNJGANKQMAEX-NSHDSACASA-N 1 2 388.103 3.946 20 30 GHEDLO CC[N@H+]1CCC[C@H](Oc2c(Br)cc(C#N)cc2Br)C1 ZINC001227345375 1032383489 /nfs/dbraw/zinc/38/34/89/1032383489.db2.gz OOUNJGANKQMAEX-NSHDSACASA-N 1 2 388.103 3.946 20 30 GHEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(O)c(C)cc1Br ZINC001277213611 1032437727 /nfs/dbraw/zinc/43/77/27/1032437727.db2.gz DTHMDFCMXJKPBD-LJQANCHMSA-N 1 2 393.325 3.606 20 30 GHEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(O)c(C)cc1Br ZINC001277213611 1032437732 /nfs/dbraw/zinc/43/77/32/1032437732.db2.gz DTHMDFCMXJKPBD-LJQANCHMSA-N 1 2 393.325 3.606 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000932358335 1018220743 /nfs/dbraw/zinc/22/07/43/1018220743.db2.gz WXJKGPNYCTYHDR-AUUYWEPGSA-N 1 2 381.505 3.550 20 30 GHEDLO C#Cc1cccnc1Nc1cccc(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001204316446 1032760329 /nfs/dbraw/zinc/76/03/29/1032760329.db2.gz LCLFKBZJXORGHI-UHFFFAOYSA-N 1 2 392.503 3.859 20 30 GHEDLO COc1ccccc1C[NH+]1CCN(C(=O)Nc2ccc(CCC#N)cc2)CC1 ZINC000932578063 1018481824 /nfs/dbraw/zinc/48/18/24/1018481824.db2.gz PJAQOBUJSYPQLO-UHFFFAOYSA-N 1 2 378.476 3.501 20 30 GHEDLO N#Cc1cncc(C[NH+]2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c1 ZINC000932942362 1018770972 /nfs/dbraw/zinc/77/09/72/1018770972.db2.gz YHJJVUWJFRNHGK-QWRGUYRKSA-N 1 2 385.258 3.556 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)NCC2CCC(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000566894400 1019260239 /nfs/dbraw/zinc/26/02/39/1019260239.db2.gz RXUITQNIGUADLK-IXZBZBRVSA-N 1 2 392.906 3.853 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)NCC2CCC(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000566894400 1019260249 /nfs/dbraw/zinc/26/02/49/1019260249.db2.gz RXUITQNIGUADLK-IXZBZBRVSA-N 1 2 392.906 3.853 20 30 GHEDLO C[N@H+](Cc1cn(C(=O)OC(C)(C)C)c2ccc(C#N)cc12)Cc1cncnc1 ZINC001140441921 1021717515 /nfs/dbraw/zinc/71/75/15/1021717515.db2.gz QANSUOPVVSVTMK-UHFFFAOYSA-N 1 2 377.448 3.718 20 30 GHEDLO C[N@@H+](Cc1cn(C(=O)OC(C)(C)C)c2ccc(C#N)cc12)Cc1cncnc1 ZINC001140441921 1021717530 /nfs/dbraw/zinc/71/75/30/1021717530.db2.gz QANSUOPVVSVTMK-UHFFFAOYSA-N 1 2 377.448 3.718 20 30 GHEDLO N#Cc1cccc(N2C[C@@]3(CC[N@@H+](Cc4c(F)cc(F)cc4F)C3)CC2=O)c1 ZINC001140531132 1021928047 /nfs/dbraw/zinc/92/80/47/1021928047.db2.gz DIOHWNZXWSVYHO-NRFANRHFSA-N 1 2 385.389 3.605 20 30 GHEDLO N#Cc1cccc(N2C[C@@]3(CC[N@H+](Cc4c(F)cc(F)cc4F)C3)CC2=O)c1 ZINC001140531132 1021928048 /nfs/dbraw/zinc/92/80/48/1021928048.db2.gz DIOHWNZXWSVYHO-NRFANRHFSA-N 1 2 385.389 3.605 20 30 GHEDLO CCN(Cc1cccc(C#N)c1Cl)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001140814883 1022613308 /nfs/dbraw/zinc/61/33/08/1022613308.db2.gz SOGXFRCFXPFIEH-OAQYLSRUSA-N 1 2 383.923 3.935 20 30 GHEDLO CCN(Cc1cccc(C#N)c1Cl)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001140814883 1022613312 /nfs/dbraw/zinc/61/33/12/1022613312.db2.gz SOGXFRCFXPFIEH-OAQYLSRUSA-N 1 2 383.923 3.935 20 30 GHEDLO C#CCN(C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CCCC1 ZINC000755098365 1023072681 /nfs/dbraw/zinc/07/26/81/1023072681.db2.gz IHCAIGOVGBYWFE-RBUKOAKNSA-N 1 2 377.891 3.812 20 30 GHEDLO C#CCN(C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CCCC1 ZINC000755098365 1023072689 /nfs/dbraw/zinc/07/26/89/1023072689.db2.gz IHCAIGOVGBYWFE-RBUKOAKNSA-N 1 2 377.891 3.812 20 30 GHEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001141167373 1023999637 /nfs/dbraw/zinc/99/96/37/1023999637.db2.gz JSVATDRIBTXHGX-OAHLLOKOSA-N 1 2 380.345 3.550 20 30 GHEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001141167373 1023999641 /nfs/dbraw/zinc/99/96/41/1023999641.db2.gz JSVATDRIBTXHGX-OAHLLOKOSA-N 1 2 380.345 3.550 20 30 GHEDLO C[Si](C)(C)C#Cc1nc(Br)cnc1Nc1ccn2cc[nH+]c2c1 ZINC001204958920 1033183346 /nfs/dbraw/zinc/18/33/46/1033183346.db2.gz DOQBSDGXFYIFKY-UHFFFAOYSA-N 1 2 386.329 3.859 20 30 GHEDLO COC[C@H]1C[N@H+](Cc2ccc(Oc3ccc(C#N)cc3)cc2)Cc2ncn(C)c21 ZINC001141291027 1024419665 /nfs/dbraw/zinc/41/96/65/1024419665.db2.gz BCGIBVPEDKSLRZ-LJQANCHMSA-N 1 2 388.471 3.830 20 30 GHEDLO COC[C@H]1C[N@@H+](Cc2ccc(Oc3ccc(C#N)cc3)cc2)Cc2ncn(C)c21 ZINC001141291027 1024419673 /nfs/dbraw/zinc/41/96/73/1024419673.db2.gz BCGIBVPEDKSLRZ-LJQANCHMSA-N 1 2 388.471 3.830 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1Cc1c(C)cc(OC)c(C)c1C ZINC001138724222 1025250892 /nfs/dbraw/zinc/25/08/92/1025250892.db2.gz CQDFECKSAKOIBX-HXUWFJFHSA-N 1 2 384.524 3.534 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1Cc1c(C)cc(OC)c(C)c1C ZINC001138724222 1025250905 /nfs/dbraw/zinc/25/09/05/1025250905.db2.gz CQDFECKSAKOIBX-HXUWFJFHSA-N 1 2 384.524 3.534 20 30 GHEDLO COC(=O)CCCCCCNc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(C)[nH+]1 ZINC001162429697 1025744856 /nfs/dbraw/zinc/74/48/56/1025744856.db2.gz QPZMUBLUIRCXNZ-SOKSQLDISA-N 1 2 381.542 3.807 20 30 GHEDLO C=CCOCc1ncn2c1C[N@H+](Cc1[nH]c(CCCC)nc1Cl)CCC2 ZINC001139177469 1026007150 /nfs/dbraw/zinc/00/71/50/1026007150.db2.gz FLLNLARQGQVJII-UHFFFAOYSA-N 1 2 377.920 3.711 20 30 GHEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1[nH]c(CCCC)nc1Cl)CCC2 ZINC001139177469 1026007167 /nfs/dbraw/zinc/00/71/67/1026007167.db2.gz FLLNLARQGQVJII-UHFFFAOYSA-N 1 2 377.920 3.711 20 30 GHEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cc3ccc(OC)cc3nc2Cl)C1 ZINC001139309723 1026165267 /nfs/dbraw/zinc/16/52/67/1026165267.db2.gz CPNIOANLHAGCIN-INIZCTEOSA-N 1 2 389.883 3.773 20 30 GHEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cc3ccc(OC)cc3nc2Cl)C1 ZINC001139309723 1026165272 /nfs/dbraw/zinc/16/52/72/1026165272.db2.gz CPNIOANLHAGCIN-INIZCTEOSA-N 1 2 389.883 3.773 20 30 GHEDLO COc1cc(C(F)(F)N2CC[N@H+](C)C[C@@H]2c2ccccc2)c(C#N)c(Cl)n1 ZINC001163672685 1026277021 /nfs/dbraw/zinc/27/70/21/1026277021.db2.gz OGJNXWBSHDECGY-MRXNPFEDSA-N 1 2 392.837 3.653 20 30 GHEDLO COc1cc(C(F)(F)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)c(C#N)c(Cl)n1 ZINC001163672685 1026277028 /nfs/dbraw/zinc/27/70/28/1026277028.db2.gz OGJNXWBSHDECGY-MRXNPFEDSA-N 1 2 392.837 3.653 20 30 GHEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cccc(Br)c1F)C2 ZINC001139532693 1026390495 /nfs/dbraw/zinc/39/04/95/1026390495.db2.gz MBRMDYHQICYPHX-YJBOKZPZSA-N 1 2 384.289 3.914 20 30 GHEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1cccc(Br)c1F)C2 ZINC001139532693 1026390507 /nfs/dbraw/zinc/39/05/07/1026390507.db2.gz MBRMDYHQICYPHX-YJBOKZPZSA-N 1 2 384.289 3.914 20 30 GHEDLO N#Cc1ccc(-c2cc(C(F)(F)N3CC[NH2+]CC(F)(F)C3)cnc2Cl)cc1 ZINC001164502398 1026537619 /nfs/dbraw/zinc/53/76/19/1026537619.db2.gz RWYLJZMZXUMALV-UHFFFAOYSA-N 1 2 398.791 3.863 20 30 GHEDLO Cc1ccc(C[N@@H+]2CCc3c(c(COCC4CC4)nn3CC3CC3)C2)cc1C#N ZINC001139723605 1026566351 /nfs/dbraw/zinc/56/63/51/1026566351.db2.gz CADFMGLYXIJJKQ-UHFFFAOYSA-N 1 2 390.531 3.958 20 30 GHEDLO Cc1ccc(C[N@H+]2CCc3c(c(COCC4CC4)nn3CC3CC3)C2)cc1C#N ZINC001139723605 1026566358 /nfs/dbraw/zinc/56/63/58/1026566358.db2.gz CADFMGLYXIJJKQ-UHFFFAOYSA-N 1 2 390.531 3.958 20 30 GHEDLO Cc1ccc(C[N@@H+]2CCc3c(c(COC(C)C)nn3CC3CC3)C2)cc1C#N ZINC001139723837 1026567490 /nfs/dbraw/zinc/56/74/90/1026567490.db2.gz IJTZWQGMSPSMJW-UHFFFAOYSA-N 1 2 378.520 3.957 20 30 GHEDLO Cc1ccc(C[N@H+]2CCc3c(c(COC(C)C)nn3CC3CC3)C2)cc1C#N ZINC001139723837 1026567496 /nfs/dbraw/zinc/56/74/96/1026567496.db2.gz IJTZWQGMSPSMJW-UHFFFAOYSA-N 1 2 378.520 3.957 20 30 GHEDLO N#Cc1ccc2cc[nH+]c(N3CCO[C@@H]4C[C@H](COc5ccccn5)C[C@H]43)c2c1 ZINC001166014123 1026893871 /nfs/dbraw/zinc/89/38/71/1026893871.db2.gz BYKXWQYHKRPQMF-DUXKGJEZSA-N 1 2 386.455 3.564 20 30 GHEDLO CC1(C)Cc2nc(N)sc2C(=[NH+]Nc2cc(CO)ccc2Br)C1 ZINC000841654121 1028802941 /nfs/dbraw/zinc/80/29/41/1028802941.db2.gz KQSCLWTXTWHMMB-UHFFFAOYSA-N 1 2 395.326 3.769 20 30 GHEDLO COc1ccc(C[NH+]2CCOCC2)cc1Nc1nc(C(F)(F)F)ccc1C#N ZINC001215547405 1029270756 /nfs/dbraw/zinc/27/07/56/1029270756.db2.gz SGZAYZISXNYFPT-UHFFFAOYSA-N 1 2 392.381 3.556 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](CN3C[C@H](C4CCCC4)CC3=O)CC2)c(F)c1 ZINC000842604035 1029408338 /nfs/dbraw/zinc/40/83/38/1029408338.db2.gz JXVLDHXZFNUKLS-GOSISDBHSA-N 1 2 385.483 3.537 20 30 GHEDLO Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCC[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000843396270 1029964847 /nfs/dbraw/zinc/96/48/47/1029964847.db2.gz IJYXNSQEHAVNFQ-QGZVFWFLSA-N 1 2 397.914 3.752 20 30 GHEDLO Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000843396270 1029964855 /nfs/dbraw/zinc/96/48/55/1029964855.db2.gz IJYXNSQEHAVNFQ-QGZVFWFLSA-N 1 2 397.914 3.752 20 30 GHEDLO N#Cc1ccc(O[C@H]2COCC[N@H+](Cc3ccccc3)C2)c(Br)c1 ZINC001225767443 1031591807 /nfs/dbraw/zinc/59/18/07/1031591807.db2.gz MFCJRMBSBSVQDW-QGZVFWFLSA-N 1 2 387.277 3.601 20 30 GHEDLO N#Cc1ccc(O[C@H]2COCC[N@@H+](Cc3ccccc3)C2)c(Br)c1 ZINC001225767443 1031591821 /nfs/dbraw/zinc/59/18/21/1031591821.db2.gz MFCJRMBSBSVQDW-QGZVFWFLSA-N 1 2 387.277 3.601 20 30 GHEDLO N#Cc1cc(C[N@@H+]2CCO[C@]3(CCC[C@H]3COCc3ccccn3)C2)ccc1F ZINC001205473351 1033428088 /nfs/dbraw/zinc/42/80/88/1033428088.db2.gz WLCHQICPBARGIM-NZQKXSOJSA-N 1 2 395.478 3.680 20 30 GHEDLO N#Cc1cc(C[N@H+]2CCO[C@]3(CCC[C@H]3COCc3ccccn3)C2)ccc1F ZINC001205473351 1033428095 /nfs/dbraw/zinc/42/80/95/1033428095.db2.gz WLCHQICPBARGIM-NZQKXSOJSA-N 1 2 395.478 3.680 20 30 GHEDLO CC(=O)c1c(O[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)ccc2ccc(=O)oc21 ZINC001229462293 1033495351 /nfs/dbraw/zinc/49/53/51/1033495351.db2.gz SGMCVEHENQJDBO-LJQANCHMSA-N 1 2 388.423 3.521 20 30 GHEDLO CC(=O)c1c(O[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)ccc2ccc(=O)oc21 ZINC001229462293 1033495360 /nfs/dbraw/zinc/49/53/60/1033495360.db2.gz SGMCVEHENQJDBO-LJQANCHMSA-N 1 2 388.423 3.521 20 30 GHEDLO C#CC[C@H]1CCC[N@@H+](Cc2c(F)ccc(I)c2F)C1 ZINC001206408809 1033830866 /nfs/dbraw/zinc/83/08/66/1033830866.db2.gz HABFPVDLUYNFEG-NSHDSACASA-N 1 2 375.200 3.805 20 30 GHEDLO C#CC[C@H]1CCC[N@H+](Cc2c(F)ccc(I)c2F)C1 ZINC001206408809 1033830878 /nfs/dbraw/zinc/83/08/78/1033830878.db2.gz HABFPVDLUYNFEG-NSHDSACASA-N 1 2 375.200 3.805 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1cc(C)c(Cl)cc1Cl)C2 ZINC001277444077 1033887395 /nfs/dbraw/zinc/88/73/95/1033887395.db2.gz ZQMLRGHJDYFALH-HXUWFJFHSA-N 1 2 397.346 3.929 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cc(C)c(Cl)cc1Cl)C2 ZINC001277444077 1033887416 /nfs/dbraw/zinc/88/74/16/1033887416.db2.gz ZQMLRGHJDYFALH-HXUWFJFHSA-N 1 2 397.346 3.929 20 30 GHEDLO COCC[C@H](C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1)NC(=O)OC(C)(C)C ZINC001461879620 1069828036 /nfs/dbraw/zinc/82/80/36/1069828036.db2.gz GUWKVYOIUQWYOE-VAMGGRTRSA-N 1 2 387.524 3.688 20 30 GHEDLO COCC[C@H](C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1)NC(=O)OC(C)(C)C ZINC001461879620 1069828052 /nfs/dbraw/zinc/82/80/52/1069828052.db2.gz GUWKVYOIUQWYOE-VAMGGRTRSA-N 1 2 387.524 3.688 20 30 GHEDLO N#Cc1cc(Cl)cc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)n1 ZINC001158546860 1034143731 /nfs/dbraw/zinc/14/37/31/1034143731.db2.gz QDBZYNCPQANZBR-MRXNPFEDSA-N 1 2 380.801 3.860 20 30 GHEDLO N#Cc1cc(Cl)cc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)n1 ZINC001158546860 1034143737 /nfs/dbraw/zinc/14/37/37/1034143737.db2.gz QDBZYNCPQANZBR-MRXNPFEDSA-N 1 2 380.801 3.860 20 30 GHEDLO N#Cc1cc(Cl)cnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC001158551106 1034148189 /nfs/dbraw/zinc/14/81/89/1034148189.db2.gz HFVDQZVEVVCASX-MRXNPFEDSA-N 1 2 380.801 3.860 20 30 GHEDLO N#Cc1cc(Cl)cnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC001158551106 1034148198 /nfs/dbraw/zinc/14/81/98/1034148198.db2.gz HFVDQZVEVVCASX-MRXNPFEDSA-N 1 2 380.801 3.860 20 30 GHEDLO C=CCN(CC[N@@H+]1CCc2c(cnn2-c2ccccc2)C1)C(=O)OC(C)(C)C ZINC001207204955 1034172912 /nfs/dbraw/zinc/17/29/12/1034172912.db2.gz BUGANNJISDZKAZ-UHFFFAOYSA-N 1 2 382.508 3.654 20 30 GHEDLO C=CCN(CC[N@H+]1CCc2c(cnn2-c2ccccc2)C1)C(=O)OC(C)(C)C ZINC001207204955 1034172931 /nfs/dbraw/zinc/17/29/31/1034172931.db2.gz BUGANNJISDZKAZ-UHFFFAOYSA-N 1 2 382.508 3.654 20 30 GHEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(OC)c(Cl)c(F)c1F ZINC001276522747 1034265326 /nfs/dbraw/zinc/26/53/26/1034265326.db2.gz PFQBVYOQZHIEBS-ZIAGYGMSSA-N 1 2 384.854 3.768 20 30 GHEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(OC)c(Cl)c(F)c1F ZINC001276522747 1034265342 /nfs/dbraw/zinc/26/53/42/1034265342.db2.gz PFQBVYOQZHIEBS-ZIAGYGMSSA-N 1 2 384.854 3.768 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+]2Cc2cc(C)cc(Br)c2O)C1=O ZINC001277541469 1034762651 /nfs/dbraw/zinc/76/26/51/1034762651.db2.gz YHKSQSYTMVRUII-LJQANCHMSA-N 1 2 393.325 3.606 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2cc(C)cc(Br)c2O)C1=O ZINC001277541469 1034762660 /nfs/dbraw/zinc/76/26/60/1034762660.db2.gz YHKSQSYTMVRUII-LJQANCHMSA-N 1 2 393.325 3.606 20 30 GHEDLO COc1ccc(NC(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1C#N ZINC001208405518 1034885065 /nfs/dbraw/zinc/88/50/65/1034885065.db2.gz AEWAQXGNVVSTNR-HXUWFJFHSA-N 1 2 389.459 3.943 20 30 GHEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2c(C)cc(F)cc2Br)C1=O ZINC001277596624 1035027523 /nfs/dbraw/zinc/02/75/23/1035027523.db2.gz HTQFWBYXBGMCDO-GOSISDBHSA-N 1 2 381.289 3.650 20 30 GHEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2c(C)cc(F)cc2Br)C1=O ZINC001277596624 1035027531 /nfs/dbraw/zinc/02/75/31/1035027531.db2.gz HTQFWBYXBGMCDO-GOSISDBHSA-N 1 2 381.289 3.650 20 30 GHEDLO CC(C)C[N@H+](Cc1c(C(=O)OC(C)(C)C)cnn1C)Cc1ccc(C#N)cc1 ZINC001461939206 1069903099 /nfs/dbraw/zinc/90/30/99/1069903099.db2.gz ZQFMFCJSODJZPU-UHFFFAOYSA-N 1 2 382.508 3.905 20 30 GHEDLO CC(C)C[N@@H+](Cc1c(C(=O)OC(C)(C)C)cnn1C)Cc1ccc(C#N)cc1 ZINC001461939206 1069903106 /nfs/dbraw/zinc/90/31/06/1069903106.db2.gz ZQFMFCJSODJZPU-UHFFFAOYSA-N 1 2 382.508 3.905 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ncc(C)cc1Br ZINC001277626051 1035151274 /nfs/dbraw/zinc/15/12/74/1035151274.db2.gz IDWXRPSEIPLPKS-IBGZPJMESA-N 1 2 392.341 3.686 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ncc(C)cc1Br ZINC001277626051 1035151278 /nfs/dbraw/zinc/15/12/78/1035151278.db2.gz IDWXRPSEIPLPKS-IBGZPJMESA-N 1 2 392.341 3.686 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232222489 1035170352 /nfs/dbraw/zinc/17/03/52/1035170352.db2.gz SFAJMKUAHIPKJH-NRFANRHFSA-N 1 2 399.498 3.819 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232222489 1035170356 /nfs/dbraw/zinc/17/03/56/1035170356.db2.gz SFAJMKUAHIPKJH-NRFANRHFSA-N 1 2 399.498 3.819 20 30 GHEDLO C[C@H](c1ccccc1)N(C(=O)C[NH2+]CCC#N)[C@H]1CC[C@H]1OCc1ccccc1 ZINC001161607753 1035271295 /nfs/dbraw/zinc/27/12/95/1035271295.db2.gz IHLOBXSUHIUJLW-WTIAFYNJSA-N 1 2 391.515 3.827 20 30 GHEDLO C=CCCCCC[N@@H+]1Cc2ncnn2C2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001209423065 1035271956 /nfs/dbraw/zinc/27/19/56/1035271956.db2.gz NGYOFAPICMUYNY-UHFFFAOYSA-N 1 2 389.544 3.566 20 30 GHEDLO C=CCCCCC[N@H+]1Cc2ncnn2C2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001209423065 1035271957 /nfs/dbraw/zinc/27/19/57/1035271957.db2.gz NGYOFAPICMUYNY-UHFFFAOYSA-N 1 2 389.544 3.566 20 30 GHEDLO N#Cc1c(F)c(I)ccc1Nc1cccc2[nH+]c[nH]c21 ZINC001213034539 1035283853 /nfs/dbraw/zinc/28/38/53/1035283853.db2.gz PILJWOLCQZVXRF-UHFFFAOYSA-N 1 2 378.148 3.922 20 30 GHEDLO Cc1nn(-c2cccc(C)c2)cc1C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC001461977342 1069925585 /nfs/dbraw/zinc/92/55/85/1069925585.db2.gz RWFHKCCNOTWJPE-UHFFFAOYSA-N 1 2 389.478 3.822 20 30 GHEDLO Cc1ccc(OCc2ccccc2)c(C[NH+]2CCN(c3nccnc3C#N)CC2)c1 ZINC001232378554 1038153048 /nfs/dbraw/zinc/15/30/48/1038153048.db2.gz JFDWHPYTEBXHHL-UHFFFAOYSA-N 1 2 399.498 3.558 20 30 GHEDLO CC(C)(C)OC(=O)Nc1cccc(C[NH+]2CCN(c3ccccc3C#N)CC2)n1 ZINC001232599425 1038379442 /nfs/dbraw/zinc/37/94/42/1038379442.db2.gz DSSYDNNEDJACEU-UHFFFAOYSA-N 1 2 393.491 3.622 20 30 GHEDLO Cc1cc(Br)ccc1N1CC[NH+](Cc2cc(C#N)ccc2O)CC1 ZINC001232678417 1038476295 /nfs/dbraw/zinc/47/62/95/1038476295.db2.gz YIUSLVBFZVGJHD-UHFFFAOYSA-N 1 2 386.293 3.657 20 30 GHEDLO COc1cc(Br)cc(OC)c1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC001232699656 1038501980 /nfs/dbraw/zinc/50/19/80/1038501980.db2.gz MSVSXPFZDAYFAV-UHFFFAOYSA-N 1 2 375.266 3.970 20 30 GHEDLO COc1cc(Br)cc(OC)c1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001232699656 1038501986 /nfs/dbraw/zinc/50/19/86/1038501986.db2.gz MSVSXPFZDAYFAV-UHFFFAOYSA-N 1 2 375.266 3.970 20 30 GHEDLO O[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(C(F)(F)F)nc2Cl)CC[C@@H]1F ZINC001232791721 1038559368 /nfs/dbraw/zinc/55/93/68/1038559368.db2.gz WPPROKGXPFVDCK-CABZTGNLSA-N 1 2 394.718 3.981 20 30 GHEDLO O[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C(F)(F)F)nc2Cl)CC[C@@H]1F ZINC001232791721 1038559370 /nfs/dbraw/zinc/55/93/70/1038559370.db2.gz WPPROKGXPFVDCK-CABZTGNLSA-N 1 2 394.718 3.981 20 30 GHEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+](Cc2ccc(Br)c(C#N)c2)C1 ZINC001232895938 1038690086 /nfs/dbraw/zinc/69/00/86/1038690086.db2.gz XJSQQLYGJAGZNH-AWEZNQCLSA-N 1 2 379.298 3.874 20 30 GHEDLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Br)c(C#N)c2)C1 ZINC001232895938 1038690093 /nfs/dbraw/zinc/69/00/93/1038690093.db2.gz XJSQQLYGJAGZNH-AWEZNQCLSA-N 1 2 379.298 3.874 20 30 GHEDLO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc(F)c(O)c1F)CC2 ZINC001232931325 1038714058 /nfs/dbraw/zinc/71/40/58/1038714058.db2.gz MIKGQELGFGVTAD-UHFFFAOYSA-N 1 2 380.435 3.671 20 30 GHEDLO Cc1ccc(C[N@@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)c(C#N)c1 ZINC001232966252 1038740059 /nfs/dbraw/zinc/74/00/59/1038740059.db2.gz OGQJNQCWYBYFLC-JTHBVZDNSA-N 1 2 377.488 3.712 20 30 GHEDLO Cc1ccc(C[N@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)c(C#N)c1 ZINC001232966252 1038740065 /nfs/dbraw/zinc/74/00/65/1038740065.db2.gz OGQJNQCWYBYFLC-JTHBVZDNSA-N 1 2 377.488 3.712 20 30 GHEDLO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1nc(C)sc1Br)CC2 ZINC001233152598 1038928299 /nfs/dbraw/zinc/92/82/99/1038928299.db2.gz FRECKETVQIUKSY-KRWDZBQOSA-N 1 2 398.370 3.747 20 30 GHEDLO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1nc(C)sc1Br)CC2 ZINC001233152598 1038928300 /nfs/dbraw/zinc/92/83/00/1038928300.db2.gz FRECKETVQIUKSY-KRWDZBQOSA-N 1 2 398.370 3.747 20 30 GHEDLO CC(C)(C)c1ccc(C(=O)OC[C@@H](O)C[N@H+](CCC#N)Cc2ccccc2)cc1 ZINC001253413951 1039609122 /nfs/dbraw/zinc/60/91/22/1039609122.db2.gz PAZKPWSFGJDQKC-QFIPXVFZSA-N 1 2 394.515 3.918 20 30 GHEDLO CC(C)(C)c1ccc(C(=O)OC[C@@H](O)C[N@@H+](CCC#N)Cc2ccccc2)cc1 ZINC001253413951 1039609135 /nfs/dbraw/zinc/60/91/35/1039609135.db2.gz PAZKPWSFGJDQKC-QFIPXVFZSA-N 1 2 394.515 3.918 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2cc3c[nH]nc3cc2Br)C1 ZINC001233900047 1039691758 /nfs/dbraw/zinc/69/17/58/1039691758.db2.gz ZHDJNZWUEKMZOT-INIZCTEOSA-N 1 2 397.276 3.850 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2cc3c[nH]nc3cc2Br)C1 ZINC001233900047 1039691770 /nfs/dbraw/zinc/69/17/70/1039691770.db2.gz ZHDJNZWUEKMZOT-INIZCTEOSA-N 1 2 397.276 3.850 20 30 GHEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3cc(O)cc(-c4cc5ccc(O)cc5o4)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234737094 1040263613 /nfs/dbraw/zinc/26/36/13/1040263613.db2.gz VAFPMTJNPMTIRH-NBKYIBQXSA-N 1 2 379.412 3.502 20 30 GHEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3cc(O)cc(-c4cc5ccc(O)cc5o4)c3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234737094 1040263632 /nfs/dbraw/zinc/26/36/32/1040263632.db2.gz VAFPMTJNPMTIRH-NBKYIBQXSA-N 1 2 379.412 3.502 20 30 GHEDLO C=C[C@@H]1C[C@@]1([NH2+][C@H]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2)C(=O)OCC ZINC001254734334 1040492690 /nfs/dbraw/zinc/49/26/90/1040492690.db2.gz TTWOVTRZVANQNK-JLHGSKIFSA-N 1 2 392.540 3.654 20 30 GHEDLO Cc1nn(-c2ccc(C)cc2)cc1C[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC001462516876 1070319846 /nfs/dbraw/zinc/31/98/46/1070319846.db2.gz PHNZGGPNNCNNJD-UHFFFAOYSA-N 1 2 389.478 3.822 20 30 GHEDLO CCCNC(=O)c1ccc(O[C@H]2CC[N@H+](Cc3c(F)cc(C#N)cc3F)C2)cc1 ZINC001235660655 1041110215 /nfs/dbraw/zinc/11/02/15/1041110215.db2.gz GYAIJTASACCGGY-SFHVURJKSA-N 1 2 399.441 3.630 20 30 GHEDLO CCCNC(=O)c1ccc(O[C@H]2CC[N@@H+](Cc3c(F)cc(C#N)cc3F)C2)cc1 ZINC001235660655 1041110243 /nfs/dbraw/zinc/11/02/43/1041110243.db2.gz GYAIJTASACCGGY-SFHVURJKSA-N 1 2 399.441 3.630 20 30 GHEDLO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cnc(C(F)(F)F)s3)C2)C1 ZINC001237947254 1042434545 /nfs/dbraw/zinc/43/45/45/1042434545.db2.gz MYVRUEUETKKCIS-MRXNPFEDSA-N 1 2 389.443 3.772 20 30 GHEDLO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](Cc3cnc(C(F)(F)F)s3)C2)C1 ZINC001237947254 1042434546 /nfs/dbraw/zinc/43/45/46/1042434546.db2.gz MYVRUEUETKKCIS-MRXNPFEDSA-N 1 2 389.443 3.772 20 30 GHEDLO CN(C)/C=[NH+]/c1ccc(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1C#N ZINC001239126209 1042769356 /nfs/dbraw/zinc/76/93/56/1042769356.db2.gz CSPHGTWSMHMCPP-HYARGMPZSA-N 1 2 384.505 3.523 20 30 GHEDLO C=CC[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](c2ccccc2)C1)C(=O)OC ZINC001256940469 1043764542 /nfs/dbraw/zinc/76/45/42/1043764542.db2.gz GAGFLXHODOIGIZ-QRVBRYPASA-N 1 2 388.508 3.835 20 30 GHEDLO C=C[C@H]1C[C@@]1([NH2+]C1CCC(C2CCC3(CC2)OCCO3)CC1)C(=O)OCC ZINC001257489547 1044016439 /nfs/dbraw/zinc/01/64/39/1044016439.db2.gz SNZZFFBSYKOFIZ-BBLWZBATSA-N 1 2 377.525 3.576 20 30 GHEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1[C@H](C)Cc1ccc(Cl)cc1Cl ZINC001258681250 1044707685 /nfs/dbraw/zinc/70/76/85/1044707685.db2.gz JXSOQZPWALBFCS-ACJLOTCBSA-N 1 2 395.334 3.855 20 30 GHEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1[C@H](C)Cc1ccc(Cl)cc1Cl ZINC001258681250 1044707703 /nfs/dbraw/zinc/70/77/03/1044707703.db2.gz JXSOQZPWALBFCS-ACJLOTCBSA-N 1 2 395.334 3.855 20 30 GHEDLO C/C(=C/C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C[NH+]1CCOCC1 ZINC001296262439 1045290135 /nfs/dbraw/zinc/29/01/35/1045290135.db2.gz PTXNCMVQOIUCDM-GDLUXTLDSA-N 1 2 389.499 3.681 20 30 GHEDLO CC(C)[C@@H](C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001298261477 1045757261 /nfs/dbraw/zinc/75/72/61/1045757261.db2.gz RWGBVRFFOWMBOX-QINHECLXSA-N 1 2 387.524 3.808 20 30 GHEDLO C=C1CCN(c2nnc(CC3CC3)n2Cc2ccc(N(CC)CC)[nH+]c2)CC1 ZINC001301089539 1046333752 /nfs/dbraw/zinc/33/37/52/1046333752.db2.gz YUZHUIFPGSDGCY-UHFFFAOYSA-N 1 2 380.540 3.677 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2Cc2ccccc2)nnc1N1CC[C@@H](C2CC2)C1 ZINC001262990410 1046473908 /nfs/dbraw/zinc/47/39/08/1046473908.db2.gz ANMKQADKAGIEJK-HXUWFJFHSA-N 1 2 388.519 3.536 20 30 GHEDLO C=CCN(c1nnc(CC(C)C)n1Cc1ccc(N2CCCC2)[nH+]c1)C1CC1 ZINC001301329968 1046493296 /nfs/dbraw/zinc/49/32/96/1046493296.db2.gz HQNUQICXIHIYDS-UHFFFAOYSA-N 1 2 380.540 3.675 20 30 GHEDLO CC(C)CCN(CCC#N)c1nnc(C[NH+]2CCCC2)n1Cc1cccs1 ZINC001263488835 1046885319 /nfs/dbraw/zinc/88/53/19/1046885319.db2.gz YFZICBRBXQUANH-UHFFFAOYSA-N 1 2 386.569 3.750 20 30 GHEDLO C[C@H](c1nnc(N2CCC[C@H](C#N)C2)n1CC1CC1)[N@H+](C)Cc1ccccc1 ZINC001263755790 1047095494 /nfs/dbraw/zinc/09/54/94/1047095494.db2.gz VOGQCRSWKMZQOV-YLJYHZDGSA-N 1 2 378.524 3.621 20 30 GHEDLO C[C@H](c1nnc(N2CCC[C@H](C#N)C2)n1CC1CC1)[N@@H+](C)Cc1ccccc1 ZINC001263755790 1047095511 /nfs/dbraw/zinc/09/55/11/1047095511.db2.gz VOGQCRSWKMZQOV-YLJYHZDGSA-N 1 2 378.524 3.621 20 30 GHEDLO C[C@H](c1nnc(N2CCC[C@@H](C#N)C2)n1CC1CC1)[N@H+](C)Cc1ccccc1 ZINC001263755789 1047095611 /nfs/dbraw/zinc/09/56/11/1047095611.db2.gz VOGQCRSWKMZQOV-XLIONFOSSA-N 1 2 378.524 3.621 20 30 GHEDLO C[C@H](c1nnc(N2CCC[C@@H](C#N)C2)n1CC1CC1)[N@@H+](C)Cc1ccccc1 ZINC001263755789 1047095621 /nfs/dbraw/zinc/09/56/21/1047095621.db2.gz VOGQCRSWKMZQOV-XLIONFOSSA-N 1 2 378.524 3.621 20 30 GHEDLO Cc1cn2c([nH+]1)[C@@H](Cn1c(-c3ccc(C)o3)nnc1N(C)C[C@@H](C)C#N)CCC2 ZINC001304607768 1047729902 /nfs/dbraw/zinc/72/99/02/1047729902.db2.gz FOPHFPNAZJTPBZ-WMLDXEAASA-N 1 2 393.495 3.525 20 30 GHEDLO Cn1cc(C[NH+]2CC3(CN(Cc4c(F)cc(Cl)cc4Cl)C3)C2)cc1C#N ZINC001279405768 1047795930 /nfs/dbraw/zinc/79/59/30/1047795930.db2.gz PUPHSBHOMLNKHL-UHFFFAOYSA-N 1 2 393.293 3.660 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@H](C)Sc2ccccc2)CC1 ZINC001286470137 1048334747 /nfs/dbraw/zinc/33/47/47/1048334747.db2.gz TYAAAOLLAVNUHV-SFHVURJKSA-N 1 2 397.592 3.512 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC(C)(C)CC)CC1 ZINC001286472748 1048335977 /nfs/dbraw/zinc/33/59/77/1048335977.db2.gz FGKMLVPLKPFFNG-UHFFFAOYSA-N 1 2 385.943 3.790 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2CC2(c3ccccc3)CCC2)CC1 ZINC001286472900 1048336557 /nfs/dbraw/zinc/33/65/57/1048336557.db2.gz WWTVOMDIRLFVDN-HXUWFJFHSA-N 1 2 391.563 3.669 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(CC)cc3)n2CC2CCCCC2)CC1 ZINC001286474768 1048336803 /nfs/dbraw/zinc/33/68/03/1048336803.db2.gz LEEPIEIYKIEGCW-UHFFFAOYSA-N 1 2 391.563 3.843 20 30 GHEDLO C=C(C)CN(CC)c1nnc(C2CC2)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001286577976 1048371673 /nfs/dbraw/zinc/37/16/73/1048371673.db2.gz CMAYCYNJXHXLQE-OAQYLSRUSA-N 1 2 395.551 3.631 20 30 GHEDLO C=CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1Cc1c[nH+]ccc1OC ZINC001286714470 1048471182 /nfs/dbraw/zinc/47/11/82/1048471182.db2.gz PZRJNVYJCAHUFI-IBGZPJMESA-N 1 2 377.492 3.894 20 30 GHEDLO C=CCN(CC=C)c1nnc(-c2ccc(OC)cc2)n1Cc1c[nH+]ccc1OC ZINC001286755573 1048508650 /nfs/dbraw/zinc/50/86/50/1048508650.db2.gz DPDCBIVUUJFMOI-UHFFFAOYSA-N 1 2 391.475 3.584 20 30 GHEDLO C#CCn1ccc(C[N@@H+](CCOC)Cc2cccc(NC(=O)OC(C)(C)C)c2)n1 ZINC001307736119 1049548266 /nfs/dbraw/zinc/54/82/66/1049548266.db2.gz JKDFMLOGSQELAV-UHFFFAOYSA-N 1 2 398.507 3.512 20 30 GHEDLO C#CCn1ccc(C[N@H+](CCOC)Cc2cccc(NC(=O)OC(C)(C)C)c2)n1 ZINC001307736119 1049548276 /nfs/dbraw/zinc/54/82/76/1049548276.db2.gz JKDFMLOGSQELAV-UHFFFAOYSA-N 1 2 398.507 3.512 20 30 GHEDLO CC#CC[N@H+](C)[C@@H](C)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC001307807476 1049605792 /nfs/dbraw/zinc/60/57/92/1049605792.db2.gz RBOOOAUYXRTORE-KXBFYZLASA-N 1 2 383.879 3.954 20 30 GHEDLO CC#CC[N@@H+](C)[C@@H](C)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC001307807476 1049605798 /nfs/dbraw/zinc/60/57/98/1049605798.db2.gz RBOOOAUYXRTORE-KXBFYZLASA-N 1 2 383.879 3.954 20 30 GHEDLO Cc1cn2c([nH+]1)[C@H](Cn1c(CC(C)C)nnc1N(CCC#N)CC1CC1)CCC2 ZINC001290295288 1049793655 /nfs/dbraw/zinc/79/36/55/1049793655.db2.gz OAHKIBQNZOEJMY-IBGZPJMESA-N 1 2 395.555 3.689 20 30 GHEDLO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000755043670 1050250370 /nfs/dbraw/zinc/25/03/70/1050250370.db2.gz ZYRMFAKRKQXXAR-OAHLLOKOSA-N 1 2 394.313 3.810 20 30 GHEDLO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+]1Cc1cc(C#N)ccc1Br ZINC000755043670 1050250386 /nfs/dbraw/zinc/25/03/86/1050250386.db2.gz ZYRMFAKRKQXXAR-OAHLLOKOSA-N 1 2 394.313 3.810 20 30 GHEDLO N#Cc1ccc(CSCc2cccc(C[NH+]3CCOCC3)c2)c([N+](=O)[O-])c1 ZINC001332539390 1051538277 /nfs/dbraw/zinc/53/82/77/1051538277.db2.gz XBXCEHZSMOSKNL-UHFFFAOYSA-N 1 2 383.473 3.732 20 30 GHEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)Nc3cc(C#N)c(F)cc3F)CC2)cc1 ZINC001311137800 1051896205 /nfs/dbraw/zinc/89/62/05/1051896205.db2.gz VKUPZIIYRDGBKD-UHFFFAOYSA-N 1 2 399.445 3.693 20 30 GHEDLO CCOc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(CCC#N)cc3)CC2)cc1 ZINC001311209220 1051942214 /nfs/dbraw/zinc/94/22/14/1051942214.db2.gz GSSZXCQUBWWLBG-UHFFFAOYSA-N 1 2 392.503 3.891 20 30 GHEDLO Cc1cccc(CCCn2c(-c3ccc(C#N)cc3)nnc2N(C)C[C@H](C)C#N)[nH+]1 ZINC001492525908 1052072561 /nfs/dbraw/zinc/07/25/61/1052072561.db2.gz ZEQWXDHUCCWQRX-QGZVFWFLSA-N 1 2 399.502 3.749 20 30 GHEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001311682366 1052326808 /nfs/dbraw/zinc/32/68/08/1052326808.db2.gz MGVCPOSGFUZBQD-IBGZPJMESA-N 1 2 378.451 3.998 20 30 GHEDLO C=CC[C@H]1CCCC[C@H]1NC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001313004167 1052931351 /nfs/dbraw/zinc/93/13/51/1052931351.db2.gz FEPPCEPOUAAEEP-RBUKOAKNSA-N 1 2 385.556 3.875 20 30 GHEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@H]1c1ccc(COC)o1 ZINC001342341174 1053116558 /nfs/dbraw/zinc/11/65/58/1053116558.db2.gz LZBNAZFLLSRXLD-IBGZPJMESA-N 1 2 399.539 3.921 20 30 GHEDLO CC(C)C[C@H](c1nnc(N2CCC(CC#N)CC2)n1CC(C)C)n1cc[nH+]c1 ZINC001342970129 1053467944 /nfs/dbraw/zinc/46/79/44/1053467944.db2.gz QFSHVUZSRRJUTA-LJQANCHMSA-N 1 2 383.544 3.896 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC(Cc2nccs2)CC1 ZINC001343458028 1053783317 /nfs/dbraw/zinc/78/33/17/1053783317.db2.gz URGFWPZLXYLXGT-KRWDZBQOSA-N 1 2 386.569 3.537 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC(Cc2nccs2)CC1 ZINC001343458028 1053783330 /nfs/dbraw/zinc/78/33/30/1053783330.db2.gz URGFWPZLXYLXGT-KRWDZBQOSA-N 1 2 386.569 3.537 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCc2sc(Cl)cc2C1 ZINC001343546282 1053864251 /nfs/dbraw/zinc/86/42/51/1053864251.db2.gz OWJZSJCHVRZOSR-AWEZNQCLSA-N 1 2 377.945 3.899 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCc2sc(Cl)cc2C1 ZINC001343546282 1053864269 /nfs/dbraw/zinc/86/42/69/1053864269.db2.gz OWJZSJCHVRZOSR-AWEZNQCLSA-N 1 2 377.945 3.899 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N(C[C@@H]1CCOC1)C1CC1 ZINC001343575727 1053900592 /nfs/dbraw/zinc/90/05/92/1053900592.db2.gz IYPCPAAKXWYENJ-AZUAARDMSA-N 1 2 398.555 3.692 20 30 GHEDLO COc1ccc(NC(=S)N[NH+]=Cc2ccc(N3CCCC3)cc2)cc1OC ZINC001317874818 1054286152 /nfs/dbraw/zinc/28/61/52/1054286152.db2.gz KRFQXZYQMNQJDU-UHFFFAOYSA-N 1 2 384.505 3.625 20 30 GHEDLO C=CCO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C1 ZINC001320899745 1056005656 /nfs/dbraw/zinc/00/56/56/1056005656.db2.gz WIEPQFPIVYPABH-OCCSQVGLSA-N 1 2 393.459 3.692 20 30 GHEDLO C=CCO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C1 ZINC001320899745 1056005668 /nfs/dbraw/zinc/00/56/68/1056005668.db2.gz WIEPQFPIVYPABH-OCCSQVGLSA-N 1 2 393.459 3.692 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCO[C@@H](c2ccccc2C)C1 ZINC001355930692 1057321078 /nfs/dbraw/zinc/32/10/78/1057321078.db2.gz ZJLNQRFUHGUBEO-VQTJNVASSA-N 1 2 381.524 3.507 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCO[C@@H](c2ccccc2C)C1 ZINC001355930692 1057321084 /nfs/dbraw/zinc/32/10/84/1057321084.db2.gz ZJLNQRFUHGUBEO-VQTJNVASSA-N 1 2 381.524 3.507 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@H]1c1cc(C)ccc1C ZINC001356152435 1057410009 /nfs/dbraw/zinc/41/00/09/1057410009.db2.gz DNBIBFNOCAQLHJ-IBGZPJMESA-N 1 2 376.508 3.747 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)C[C@@H](C)c1ccccc1 ZINC001356377317 1057493748 /nfs/dbraw/zinc/49/37/48/1057493748.db2.gz BCRZDLOAXMRZAL-GOSISDBHSA-N 1 2 380.540 3.631 20 30 GHEDLO Cn1c([C@H]2CCCC[N@@H+]2Cc2ccccc2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001338394760 1058546357 /nfs/dbraw/zinc/54/63/57/1058546357.db2.gz LJKKMBXJSRXLEV-DENIHFKCSA-N 1 2 378.524 3.672 20 30 GHEDLO Cn1c([C@H]2CCCC[N@H+]2Cc2ccccc2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001338394760 1058546371 /nfs/dbraw/zinc/54/63/71/1058546371.db2.gz LJKKMBXJSRXLEV-DENIHFKCSA-N 1 2 378.524 3.672 20 30 GHEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@H](COCC)C1 ZINC001338995535 1058917749 /nfs/dbraw/zinc/91/77/49/1058917749.db2.gz QZUWVERGHNNAFP-QUCCMNQESA-N 1 2 383.540 3.520 20 30 GHEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@H](COCC)C1 ZINC001338995535 1058917755 /nfs/dbraw/zinc/91/77/55/1058917755.db2.gz QZUWVERGHNNAFP-QUCCMNQESA-N 1 2 383.540 3.520 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2Cc2ccccc2)nnc1N1CC[C@@H](COC)C1 ZINC001339055729 1058941892 /nfs/dbraw/zinc/94/18/92/1058941892.db2.gz GAKKUSPWXSJJIW-RTWAWAEBSA-N 1 2 395.551 3.664 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@H+]2Cc2ccccc2)nnc1N1CC[C@@H](COC)C1 ZINC001339055729 1058941896 /nfs/dbraw/zinc/94/18/96/1058941896.db2.gz GAKKUSPWXSJJIW-RTWAWAEBSA-N 1 2 395.551 3.664 20 30 GHEDLO C=CCn1c([C@H](C)CCC#N)nnc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC001339501723 1059258991 /nfs/dbraw/zinc/25/89/91/1059258991.db2.gz VJCFHLONKRXJAB-QGZVFWFLSA-N 1 2 398.942 3.847 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@@H](COCc2ccccc2)C1 ZINC001339528727 1059280248 /nfs/dbraw/zinc/28/02/48/1059280248.db2.gz LNNQLIYLJBLDRG-RTWAWAEBSA-N 1 2 395.551 3.664 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@H](COCc2ccccc2)C1 ZINC001339528727 1059280267 /nfs/dbraw/zinc/28/02/67/1059280267.db2.gz LNNQLIYLJBLDRG-RTWAWAEBSA-N 1 2 395.551 3.664 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@]2(C1)OCc1ccccc12 ZINC001339528055 1059280309 /nfs/dbraw/zinc/28/03/09/1059280309.db2.gz AYSCMJVPAAWFBR-NZQKXSOJSA-N 1 2 393.535 3.647 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@]2(C1)OCc1ccccc12 ZINC001339528055 1059280323 /nfs/dbraw/zinc/28/03/23/1059280323.db2.gz AYSCMJVPAAWFBR-NZQKXSOJSA-N 1 2 393.535 3.647 20 30 GHEDLO C=CCn1c(C(F)F)nnc1N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC001339831138 1059506657 /nfs/dbraw/zinc/50/66/57/1059506657.db2.gz YEZRTVVEUNRHLU-UHFFFAOYSA-N 1 2 376.455 3.540 20 30 GHEDLO CC(C)C[C@H](C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)n1cc[nH+]c1 ZINC001446789264 1059857941 /nfs/dbraw/zinc/85/79/41/1059857941.db2.gz NMDKDBGNDDSFSE-QGZVFWFLSA-N 1 2 382.855 3.820 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N(C)Cc1cc(C#N)cs1 ZINC001340515884 1059958829 /nfs/dbraw/zinc/95/88/29/1059958829.db2.gz GTYWOGDIZIKWJA-GOSISDBHSA-N 1 2 395.536 3.866 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)[C@H](C)c1cccs1 ZINC001340628319 1060003441 /nfs/dbraw/zinc/00/34/41/1060003441.db2.gz XKRRJNRWSOULIZ-MRXNPFEDSA-N 1 2 384.553 3.816 20 30 GHEDLO C[C@@H]1C[C@H](C)CN1c1nnc(C2CC[NH+](CCC#N)CC2)n1Cc1ccccc1 ZINC001340661511 1060028283 /nfs/dbraw/zinc/02/82/83/1060028283.db2.gz PYTUMEPRQCYUQP-RBUKOAKNSA-N 1 2 392.551 3.654 20 30 GHEDLO C=C(C)Cn1c(-c2ccc(C)cc2)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC001341921078 1060951878 /nfs/dbraw/zinc/95/18/78/1060951878.db2.gz PAVJJLOGSYIZEY-UHFFFAOYSA-N 1 2 388.519 3.547 20 30 GHEDLO C=CCCOCC(=O)N1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC001454600727 1061875775 /nfs/dbraw/zinc/87/57/75/1061875775.db2.gz WKXIKCDRAAQHOP-UHFFFAOYSA-N 1 2 394.515 3.503 20 30 GHEDLO C=CC1(CC(=O)N2CC[NH+](CCOc3cccc(OC)c3)CC2)CCCCC1 ZINC001435627908 1062792216 /nfs/dbraw/zinc/79/22/16/1062792216.db2.gz WXVPJHFKTZHSNP-UHFFFAOYSA-N 1 2 386.536 3.745 20 30 GHEDLO CCn1c2ccc(C#N)cc2nc1NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC001458497583 1063848086 /nfs/dbraw/zinc/84/80/86/1063848086.db2.gz DVKBSIQDHQROHK-SFHVURJKSA-N 1 2 381.867 3.823 20 30 GHEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC001459409690 1064089849 /nfs/dbraw/zinc/08/98/49/1064089849.db2.gz YEXGRQWAGDKTRK-GOSISDBHSA-N 1 2 379.479 3.888 20 30 GHEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC001459409690 1064089859 /nfs/dbraw/zinc/08/98/59/1064089859.db2.gz YEXGRQWAGDKTRK-GOSISDBHSA-N 1 2 379.479 3.888 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1Cc2ccccc2[C@@H]1C ZINC001351948188 1064725093 /nfs/dbraw/zinc/72/50/93/1064725093.db2.gz FCYKJWFTGRDBQS-KRWDZBQOSA-N 1 2 376.508 3.638 20 30 GHEDLO C#Cc1cccc(N(C)C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000847126459 1064742043 /nfs/dbraw/zinc/74/20/43/1064742043.db2.gz WSHNGZJPAGYVFY-QZTJIDSGSA-N 1 2 377.488 3.945 20 30 GHEDLO C=CCCCCn1c(C2CCC2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001359201810 1067769954 /nfs/dbraw/zinc/76/99/54/1067769954.db2.gz ANABAVDMWKMZKY-UHFFFAOYSA-N 1 2 380.540 3.926 20 30 GHEDLO C=CCN(C)c1nnc([C@@H](C)CC)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001359231011 1067832764 /nfs/dbraw/zinc/83/27/64/1067832764.db2.gz LQEBYMFOLNZIFJ-FPOVZHCZSA-N 1 2 397.567 3.796 20 30 GHEDLO Cc1nc(NC(=O)[C@@H](C)[NH+]2CCC(Nc3ccccc3C#N)CC2)sc1C ZINC001473683810 1074085183 /nfs/dbraw/zinc/08/51/83/1074085183.db2.gz UPKKXVJPGUYGHR-CQSZACIVSA-N 1 2 383.521 3.535 20 30 GHEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCc3nc[nH]c3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC001473815578 1074157745 /nfs/dbraw/zinc/15/77/45/1074157745.db2.gz ZZWVCEIPNDUEBH-CTNGQTDRSA-N 1 2 378.863 3.616 20 30 GHEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCc3nc[nH]c3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC001473815578 1074157751 /nfs/dbraw/zinc/15/77/51/1074157751.db2.gz ZZWVCEIPNDUEBH-CTNGQTDRSA-N 1 2 378.863 3.616 20 30 GHEDLO Cc1cc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)ccc1C(F)(F)F ZINC001474424765 1074400972 /nfs/dbraw/zinc/40/09/72/1074400972.db2.gz PORCFBAKCLBQCZ-HOCLYGCPSA-N 1 2 383.414 3.863 20 30 GHEDLO C[C@@H](c1ccccc1)[NH+]1CCN(S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC001475626131 1074930152 /nfs/dbraw/zinc/93/01/52/1074930152.db2.gz SLNJYEOEFLXDFQ-SFHVURJKSA-N 1 2 397.544 3.555 20 30 GHEDLO N#Cc1ccc(C[N@@H+](Cc2ccc(-c3nn[nH]n3)o2)Cc2cccc(F)c2)cc1 ZINC000826384899 608612949 /nfs/dbraw/zinc/61/29/49/608612949.db2.gz ONARMCKRRDEALK-UHFFFAOYSA-N 1 2 388.406 3.673 20 30 GHEDLO N#Cc1ccc(C[N@H+](Cc2ccc(-c3nn[nH]n3)o2)Cc2cccc(F)c2)cc1 ZINC000826384899 608612950 /nfs/dbraw/zinc/61/29/50/608612950.db2.gz ONARMCKRRDEALK-UHFFFAOYSA-N 1 2 388.406 3.673 20 30 GHEDLO C=CC[NH+]1CCN(c2cc(Oc3ccnc(Cl)c3)c(F)cc2[N+](=O)[O-])CC1 ZINC001165031744 721867020 /nfs/dbraw/zinc/86/70/20/721867020.db2.gz TXSBQXNOWOGJDV-UHFFFAOYSA-N 1 2 392.818 3.883 20 30 GHEDLO C=CC[N@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccc(OC)cc1 ZINC000173233774 837606205 /nfs/dbraw/zinc/60/62/05/837606205.db2.gz GLYOELVADHHLMX-UHFFFAOYSA-N 1 2 381.501 3.938 20 30 GHEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccc(OC)cc1 ZINC000173233774 837606210 /nfs/dbraw/zinc/60/62/10/837606210.db2.gz GLYOELVADHHLMX-UHFFFAOYSA-N 1 2 381.501 3.938 20 30 GHEDLO COc1ccc([C@H](C)[NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)c(C)c1OC ZINC000583458427 834418222 /nfs/dbraw/zinc/41/82/22/834418222.db2.gz FJUWDKSEXZOCML-AWEZNQCLSA-N 1 2 378.432 3.785 20 30 GHEDLO C[C@@H](C(=O)N1c2ccccc2CC[C@@H]1C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000548798523 834499911 /nfs/dbraw/zinc/49/99/11/834499911.db2.gz CNHLZILYOOWUSU-OALUTQOASA-N 1 2 388.515 3.695 20 30 GHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](CC(F)F)C(C)C)c1C#N ZINC000135386007 834771217 /nfs/dbraw/zinc/77/12/17/834771217.db2.gz QBUKCYRKKXFESC-UHFFFAOYSA-N 1 2 392.450 3.922 20 30 GHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](CC(F)F)C(C)C)c1C#N ZINC000135386007 834771222 /nfs/dbraw/zinc/77/12/22/834771222.db2.gz QBUKCYRKKXFESC-UHFFFAOYSA-N 1 2 392.450 3.922 20 30 GHEDLO COc1ccc2c(c1)CCC[N@@H+](CC(=O)[C@H](C#N)c1nc3ccccc3s1)C2 ZINC000728575115 834953835 /nfs/dbraw/zinc/95/38/35/834953835.db2.gz QHNCBHPVAPVTQY-SFHVURJKSA-N 1 2 391.496 3.930 20 30 GHEDLO N#CCc1ccc(C[NH+]2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1 ZINC000544069911 835048859 /nfs/dbraw/zinc/04/88/59/835048859.db2.gz WHJLYXUFWDNVCX-UHFFFAOYSA-N 1 2 387.405 3.729 20 30 GHEDLO C=CCOc1ccccc1C[NH2+]Cc1cccc(Cl)c1S(=O)(=O)CC ZINC000187233225 835177496 /nfs/dbraw/zinc/17/74/96/835177496.db2.gz MTCFRBFCDQEGJV-UHFFFAOYSA-N 1 2 379.909 3.988 20 30 GHEDLO Cc1cccn2c(/C=C\C(=O)c3ccc(S(=O)(=O)CC(F)F)cc3)c[nH+]c12 ZINC000254964286 835418492 /nfs/dbraw/zinc/41/84/92/835418492.db2.gz GWBGTXMLDZGXSZ-TWGQIWQCSA-N 1 2 390.411 3.578 20 30 GHEDLO COc1ccc(C(N)=[NH+]OCc2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 ZINC000177051244 835586442 /nfs/dbraw/zinc/58/64/42/835586442.db2.gz FWQJGUYKDXXGIN-UHFFFAOYSA-N 1 2 392.337 3.601 20 30 GHEDLO C=CC[N@@H+](CC(=O)Nc1ccc(Br)cc1)Cc1cccc(C#N)c1 ZINC000063300854 835751032 /nfs/dbraw/zinc/75/10/32/835751032.db2.gz UMZMMOUXDZPIFT-UHFFFAOYSA-N 1 2 384.277 3.947 20 30 GHEDLO C=CC[N@H+](CC(=O)Nc1ccc(Br)cc1)Cc1cccc(C#N)c1 ZINC000063300854 835751042 /nfs/dbraw/zinc/75/10/42/835751042.db2.gz UMZMMOUXDZPIFT-UHFFFAOYSA-N 1 2 384.277 3.947 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000612174354 835778191 /nfs/dbraw/zinc/77/81/91/835778191.db2.gz FECCOCBUTRDEJY-CJNGLKHVSA-N 1 2 399.491 3.728 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000612174354 835778199 /nfs/dbraw/zinc/77/81/99/835778199.db2.gz FECCOCBUTRDEJY-CJNGLKHVSA-N 1 2 399.491 3.728 20 30 GHEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(NCc2ccc(-c3ncon3)cc2)[nH+]1 ZINC001167090125 835819476 /nfs/dbraw/zinc/81/94/76/835819476.db2.gz QOQJAAAYQFRWCF-HRHNZJPYSA-N 1 2 397.504 3.933 20 30 GHEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000134631938 835877595 /nfs/dbraw/zinc/87/75/95/835877595.db2.gz KWUXFVNPUUYIAW-UHFFFAOYSA-N 1 2 384.505 3.797 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2ccc(Cl)c(C#N)c2)[C@H](C)C1 ZINC000573189851 835890921 /nfs/dbraw/zinc/89/09/21/835890921.db2.gz VNLAOWJLCOQVEP-MRXNPFEDSA-N 1 2 397.906 3.957 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2ccc(Cl)c(C#N)c2)[C@H](C)C1 ZINC000573189851 835890928 /nfs/dbraw/zinc/89/09/28/835890928.db2.gz VNLAOWJLCOQVEP-MRXNPFEDSA-N 1 2 397.906 3.957 20 30 GHEDLO CCOc1cc(C[N@@H+]2CCC[C@@](C)(C#N)C2)ccc1OCC(=O)N1CCCCC1 ZINC000612406945 836185305 /nfs/dbraw/zinc/18/53/05/836185305.db2.gz XXIHIDXLENIRBB-QHCPKHFHSA-N 1 2 399.535 3.602 20 30 GHEDLO CCOc1cc(C[N@H+]2CCC[C@@](C)(C#N)C2)ccc1OCC(=O)N1CCCCC1 ZINC000612406945 836185309 /nfs/dbraw/zinc/18/53/09/836185309.db2.gz XXIHIDXLENIRBB-QHCPKHFHSA-N 1 2 399.535 3.602 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCOCC3(CCC3)C2)c1C#N ZINC000612746540 836708133 /nfs/dbraw/zinc/70/81/33/836708133.db2.gz URLBQFVZUMYGFE-UHFFFAOYSA-N 1 2 384.524 3.533 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCOCC3(CCC3)C2)c1C#N ZINC000612746540 836708141 /nfs/dbraw/zinc/70/81/41/836708141.db2.gz URLBQFVZUMYGFE-UHFFFAOYSA-N 1 2 384.524 3.533 20 30 GHEDLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1sccc1CC#N ZINC001266435652 836905199 /nfs/dbraw/zinc/90/51/99/836905199.db2.gz NAOCDSFMWUEHIC-UZLBHIALSA-N 1 2 396.560 3.890 20 30 GHEDLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1sccc1CC#N ZINC001266435652 836905212 /nfs/dbraw/zinc/90/52/12/836905212.db2.gz NAOCDSFMWUEHIC-UZLBHIALSA-N 1 2 396.560 3.890 20 30 GHEDLO Cc1nc(C2(NC(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCO3)CCCCCC2)no1 ZINC000328675996 838272249 /nfs/dbraw/zinc/27/22/49/838272249.db2.gz RHMPKSRXJIVBIX-IBGZPJMESA-N 1 2 398.507 3.785 20 30 GHEDLO Cc1nc(C2(NC(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)CCCCCC2)no1 ZINC000328675996 838272256 /nfs/dbraw/zinc/27/22/56/838272256.db2.gz RHMPKSRXJIVBIX-IBGZPJMESA-N 1 2 398.507 3.785 20 30 GHEDLO N#Cc1ccccc1COc1cccc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000378074206 838388814 /nfs/dbraw/zinc/38/88/14/838388814.db2.gz IQLZXHZPPKKUKL-UHFFFAOYSA-N 1 2 386.455 3.880 20 30 GHEDLO N#Cc1ccccc1COc1cccc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000378074206 838388824 /nfs/dbraw/zinc/38/88/24/838388824.db2.gz IQLZXHZPPKKUKL-UHFFFAOYSA-N 1 2 386.455 3.880 20 30 GHEDLO Cc1ccc(Cl)cc1NC(=O)CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782949278 838504010 /nfs/dbraw/zinc/50/40/10/838504010.db2.gz RTZKCTKKHIMHMX-UHFFFAOYSA-N 1 2 396.672 3.687 20 30 GHEDLO CO[C@H]1C[C@@H](C(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)[N@H+](C)C1 ZINC000329009901 844364904 /nfs/dbraw/zinc/36/49/04/844364904.db2.gz HSLXEMBINQKLQW-CMPWMSKVSA-N 1 2 378.538 3.575 20 30 GHEDLO CO[C@H]1C[C@@H](C(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)[N@@H+](C)C1 ZINC000329009901 844364919 /nfs/dbraw/zinc/36/49/19/844364919.db2.gz HSLXEMBINQKLQW-CMPWMSKVSA-N 1 2 378.538 3.575 20 30 GHEDLO CC1(C)C[C@H](NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c2ccc(F)cc2O1 ZINC000328708739 839210514 /nfs/dbraw/zinc/21/05/14/839210514.db2.gz FQHHYAWYPIDKLP-WBVHZDCISA-N 1 2 384.455 3.605 20 30 GHEDLO C[C@H](O[NH+]=C(N)c1ccc(OCc2ccccc2)cc1)c1nc(C2CC2)no1 ZINC000174127865 839464494 /nfs/dbraw/zinc/46/44/94/839464494.db2.gz VRHVGHGJUICUEF-AWEZNQCLSA-N 1 2 378.432 3.924 20 30 GHEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)N[C@H](CCCC#N)c2ccccc2)C1 ZINC000458808629 840284214 /nfs/dbraw/zinc/28/42/14/840284214.db2.gz ZGPMDHCAJGBJNC-AZUAARDMSA-N 1 2 379.508 3.819 20 30 GHEDLO N#Cc1cccc(OCc2cccc(C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)c2)c1 ZINC000121261039 840413856 /nfs/dbraw/zinc/41/38/56/840413856.db2.gz XSJFEVVPPYFFLB-HSZRJFAPSA-N 1 2 399.450 3.826 20 30 GHEDLO Cn1cc(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)c(C2CCCCC2)n1 ZINC000328769155 841088094 /nfs/dbraw/zinc/08/80/94/841088094.db2.gz QMHOLJFSXPVWHK-UHFFFAOYSA-N 1 2 395.551 3.852 20 30 GHEDLO C=CC[C@@H]1CCCC[C@H]1NC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000660292698 841231144 /nfs/dbraw/zinc/23/11/44/841231144.db2.gz KNKVXLOYLBOFGU-WIYYLYMNSA-N 1 2 398.551 3.524 20 30 GHEDLO Cc1cc(N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)nc(C2CC2)[nH+]1 ZINC000329248994 861201510 /nfs/dbraw/zinc/20/15/10/861201510.db2.gz WWUWVRYGFKDXKO-UHFFFAOYSA-N 1 2 379.508 3.689 20 30 GHEDLO C[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1ccc(F)c(F)c1 ZINC000603845659 861263160 /nfs/dbraw/zinc/26/31/60/861263160.db2.gz FRDQKKPCXBCIGD-UHFFFAOYSA-N 1 2 377.822 3.997 20 30 GHEDLO C[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1ccc(F)c(F)c1 ZINC000603845659 861263168 /nfs/dbraw/zinc/26/31/68/861263168.db2.gz FRDQKKPCXBCIGD-UHFFFAOYSA-N 1 2 377.822 3.997 20 30 GHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCN(C)c4ccccc4C3)n2)C1 ZINC000328812171 842094181 /nfs/dbraw/zinc/09/41/81/842094181.db2.gz BHUINLRQIRCBCE-INIZCTEOSA-N 1 2 399.564 3.873 20 30 GHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCN(C)c4ccccc4C3)n2)C1 ZINC000328812171 842094194 /nfs/dbraw/zinc/09/41/94/842094194.db2.gz BHUINLRQIRCBCE-INIZCTEOSA-N 1 2 399.564 3.873 20 30 GHEDLO COc1cc(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)cc(C(F)(F)F)c1 ZINC001143517331 842152629 /nfs/dbraw/zinc/15/26/29/842152629.db2.gz KGDPTMVOXGAIRP-UHFFFAOYSA-N 1 2 375.394 3.908 20 30 GHEDLO CC(C)(C)OC(=O)Nc1ccsc1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000891540758 842278257 /nfs/dbraw/zinc/27/82/57/842278257.db2.gz SMGFHGUEBJWMJS-UHFFFAOYSA-N 1 2 399.520 3.684 20 30 GHEDLO O=C(N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329337397 861299135 /nfs/dbraw/zinc/29/91/35/861299135.db2.gz MMIAOFIAGZMCID-RCCFBDPRSA-N 1 2 380.435 3.744 20 30 GHEDLO O=C(N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329337397 861299149 /nfs/dbraw/zinc/29/91/49/861299149.db2.gz MMIAOFIAGZMCID-RCCFBDPRSA-N 1 2 380.435 3.744 20 30 GHEDLO C[C@H](c1nc2ccccc2s1)[NH+]1CCN(c2ccc(C#N)cc2CO)CC1 ZINC000891586928 842369048 /nfs/dbraw/zinc/36/90/48/842369048.db2.gz LJQYJCSBYRJJHQ-OAHLLOKOSA-N 1 2 378.501 3.543 20 30 GHEDLO CC(C)(C)c1cc(NC(=O)CCCn2cc[nH+]c2)n(-c2ccc(C#N)cc2)n1 ZINC000585810887 842403467 /nfs/dbraw/zinc/40/34/67/842403467.db2.gz FTGVKHBQYUHCDT-UHFFFAOYSA-N 1 2 376.464 3.657 20 30 GHEDLO C=CCCC[C@@H](C)NC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000544681663 842553336 /nfs/dbraw/zinc/55/33/36/842553336.db2.gz DDHIHAJPUDMBBQ-CQSZACIVSA-N 1 2 393.329 3.992 20 30 GHEDLO Cc1sc(NC(=O)CN2CCC[C@H]2c2[nH]c3c([nH+]2)CCCC3)c(C#N)c1C ZINC000548350371 842747505 /nfs/dbraw/zinc/74/75/05/842747505.db2.gz KWUFUPWJRXMAFE-KRWDZBQOSA-N 1 2 383.521 3.614 20 30 GHEDLO C=CCn1c(SCC[N@@H+]2CCO[C@@H](C)C2)nnc1-c1ccc(Cl)cc1 ZINC000188246843 842847146 /nfs/dbraw/zinc/84/71/46/842847146.db2.gz DSDMBWMLMXZBNO-AWEZNQCLSA-N 1 2 378.929 3.597 20 30 GHEDLO C=CCn1c(SCC[N@H+]2CCO[C@@H](C)C2)nnc1-c1ccc(Cl)cc1 ZINC000188246843 842847152 /nfs/dbraw/zinc/84/71/52/842847152.db2.gz DSDMBWMLMXZBNO-AWEZNQCLSA-N 1 2 378.929 3.597 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1C#N ZINC000603903378 861359372 /nfs/dbraw/zinc/35/93/72/861359372.db2.gz XRFNNFCYCRGBDK-QGZVFWFLSA-N 1 2 394.523 3.633 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1C#N ZINC000603903378 861359390 /nfs/dbraw/zinc/35/93/90/861359390.db2.gz XRFNNFCYCRGBDK-QGZVFWFLSA-N 1 2 394.523 3.633 20 30 GHEDLO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+]([C@@H]2CCCN(c3ccccc3F)C2=O)C1 ZINC000329391388 861368105 /nfs/dbraw/zinc/36/81/05/861368105.db2.gz SSBTXPXSPAIUQG-DNVCBOLYSA-N 1 2 399.470 3.532 20 30 GHEDLO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+]([C@@H]2CCCN(c3ccccc3F)C2=O)C1 ZINC000329391388 861368118 /nfs/dbraw/zinc/36/81/18/861368118.db2.gz SSBTXPXSPAIUQG-DNVCBOLYSA-N 1 2 399.470 3.532 20 30 GHEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279577173 843142990 /nfs/dbraw/zinc/14/29/90/843142990.db2.gz RYXQAVKBGRPZGB-UHFFFAOYSA-N 1 2 392.503 3.655 20 30 GHEDLO C=CCN(Cc1ccccc1)C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000512229504 843151737 /nfs/dbraw/zinc/15/17/37/843151737.db2.gz SDABXSHYCZNLQN-UHFFFAOYSA-N 1 2 388.471 3.740 20 30 GHEDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc(Br)c3)C2)[nH]1 ZINC000329429917 861408312 /nfs/dbraw/zinc/40/83/12/861408312.db2.gz HYWLQEOGMBYMFM-DGCLKSJQSA-N 1 2 392.301 3.732 20 30 GHEDLO Cc1nnc([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc(Br)c3)C2)[nH]1 ZINC000329429917 861408316 /nfs/dbraw/zinc/40/83/16/861408316.db2.gz HYWLQEOGMBYMFM-DGCLKSJQSA-N 1 2 392.301 3.732 20 30 GHEDLO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1C ZINC000599637438 861432645 /nfs/dbraw/zinc/43/26/45/861432645.db2.gz VBDIFMCAQYEIRY-QGZVFWFLSA-N 1 2 378.314 3.657 20 30 GHEDLO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1c1ccc(Br)cc1C ZINC000599637438 861432647 /nfs/dbraw/zinc/43/26/47/861432647.db2.gz VBDIFMCAQYEIRY-QGZVFWFLSA-N 1 2 378.314 3.657 20 30 GHEDLO CC[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@@H](C)c1ccc(F)cc1 ZINC000728914214 843914155 /nfs/dbraw/zinc/91/41/55/843914155.db2.gz DDXQPTBYNBBTEA-KSSFIOAISA-N 1 2 392.434 3.734 20 30 GHEDLO CC[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@@H](C)c1ccc(F)cc1 ZINC000728914214 843914160 /nfs/dbraw/zinc/91/41/60/843914160.db2.gz DDXQPTBYNBBTEA-KSSFIOAISA-N 1 2 392.434 3.734 20 30 GHEDLO C=CCNC(=O)C[NH2+][C@H](c1ccc(Br)cc1)c1ccccc1F ZINC000181161804 844820167 /nfs/dbraw/zinc/82/01/67/844820167.db2.gz MXVXKVGTKQOGME-GOSISDBHSA-N 1 2 377.257 3.569 20 30 GHEDLO C[C@@H]([NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1c(F)cncc1F ZINC000513247270 845118278 /nfs/dbraw/zinc/11/82/78/845118278.db2.gz MGIZSWVQQRJPGC-QWHCGFSZSA-N 1 2 390.459 3.901 20 30 GHEDLO C=CCOc1cccc(NC(=O)N2CC[NH+](Cc3ccc(OCC)cc3)CC2)c1 ZINC000511002481 845456235 /nfs/dbraw/zinc/45/62/35/845456235.db2.gz SMJBPWWKPDKTPW-UHFFFAOYSA-N 1 2 395.503 4.000 20 30 GHEDLO N#Cc1ccc(C2=CC[N@H+](CCCS(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000502543819 846182374 /nfs/dbraw/zinc/18/23/74/846182374.db2.gz KSSIMNSOTJRBEX-UHFFFAOYSA-N 1 2 384.476 3.650 20 30 GHEDLO N#Cc1ccc(C2=CC[N@@H+](CCCS(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000502543819 846182379 /nfs/dbraw/zinc/18/23/79/846182379.db2.gz KSSIMNSOTJRBEX-UHFFFAOYSA-N 1 2 384.476 3.650 20 30 GHEDLO CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C\c2c[nH+]c3ccc(C)cn23)cc1 ZINC000255479445 846374786 /nfs/dbraw/zinc/37/47/86/846374786.db2.gz IVZZZQPOPFTBQV-XFXZXTDPSA-N 1 2 397.500 3.569 20 30 GHEDLO Cc1cc(F)cc2c1C[N@H+]([C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)CC2 ZINC000502895734 846587931 /nfs/dbraw/zinc/58/79/31/846587931.db2.gz QJDGDGDMAKDTSG-MRXNPFEDSA-N 1 2 383.442 3.967 20 30 GHEDLO Cc1cc(F)cc2c1C[N@@H+]([C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)CC2 ZINC000502895734 846587933 /nfs/dbraw/zinc/58/79/33/846587933.db2.gz QJDGDGDMAKDTSG-MRXNPFEDSA-N 1 2 383.442 3.967 20 30 GHEDLO COCC[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccccc1 ZINC000016585190 846671061 /nfs/dbraw/zinc/67/10/61/846671061.db2.gz VEJNYXVFPVAWRW-UHFFFAOYSA-N 1 2 397.544 3.976 20 30 GHEDLO COCC[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccccc1 ZINC000016585190 846671067 /nfs/dbraw/zinc/67/10/67/846671067.db2.gz VEJNYXVFPVAWRW-UHFFFAOYSA-N 1 2 397.544 3.976 20 30 GHEDLO C[C@]1(NC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CCO[C@@H]1C1CC1 ZINC000329606855 861756954 /nfs/dbraw/zinc/75/69/54/861756954.db2.gz IEDNGQHQXXUMMX-KNQAVFIVSA-N 1 2 380.492 3.979 20 30 GHEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)Nc3ccc(OC(F)F)cc3)CC2)cc1 ZINC000502507382 847948647 /nfs/dbraw/zinc/94/86/47/847948647.db2.gz MZEYJOQDSIVCIZ-UHFFFAOYSA-N 1 2 383.398 3.887 20 30 GHEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)Nc3ccc(OC(F)F)cc3)CC2)cc1 ZINC000502507382 847948658 /nfs/dbraw/zinc/94/86/58/847948658.db2.gz MZEYJOQDSIVCIZ-UHFFFAOYSA-N 1 2 383.398 3.887 20 30 GHEDLO CN(C(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1)c1nc2ccccc2s1 ZINC000502522595 847965019 /nfs/dbraw/zinc/96/50/19/847965019.db2.gz MPVBDMCJJCDXRZ-UHFFFAOYSA-N 1 2 388.496 3.920 20 30 GHEDLO CN(C(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1)c1nc2ccccc2s1 ZINC000502522595 847965025 /nfs/dbraw/zinc/96/50/25/847965025.db2.gz MPVBDMCJJCDXRZ-UHFFFAOYSA-N 1 2 388.496 3.920 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1OC ZINC000628169181 848531556 /nfs/dbraw/zinc/53/15/56/848531556.db2.gz TWMOSKLYHPQWES-CZUORRHYSA-N 1 2 379.806 3.801 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1OC ZINC000628169181 848531571 /nfs/dbraw/zinc/53/15/71/848531571.db2.gz TWMOSKLYHPQWES-CZUORRHYSA-N 1 2 379.806 3.801 20 30 GHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000583130338 849138229 /nfs/dbraw/zinc/13/82/29/849138229.db2.gz LJSFIHHAUCLAJV-UWJYYQICSA-N 1 2 375.472 3.739 20 30 GHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000583130338 849138233 /nfs/dbraw/zinc/13/82/33/849138233.db2.gz LJSFIHHAUCLAJV-UWJYYQICSA-N 1 2 375.472 3.739 20 30 GHEDLO CCC[C@@H]([NH2+]Cc1nc(C#N)cs1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000514636051 850084261 /nfs/dbraw/zinc/08/42/61/850084261.db2.gz KIWSCLXEBOMZDQ-GOSISDBHSA-N 1 2 383.521 3.512 20 30 GHEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000435242746 850261401 /nfs/dbraw/zinc/26/14/01/850261401.db2.gz NPWVOEPUHYPVEA-LJQANCHMSA-N 1 2 393.487 3.552 20 30 GHEDLO CC(C)(CCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000604400285 862140470 /nfs/dbraw/zinc/14/04/70/862140470.db2.gz IZCIZBOASKVOGZ-UHFFFAOYSA-N 1 2 390.531 3.753 20 30 GHEDLO CC(C)Oc1ccc(NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1C#N ZINC000435545781 850633828 /nfs/dbraw/zinc/63/38/28/850633828.db2.gz MEXXMTIQADZWCX-UHFFFAOYSA-N 1 2 375.432 3.853 20 30 GHEDLO N#Cc1ccccc1COc1cccc(C(=O)NCC[NH+]2Cc3ccccc3C2)c1 ZINC000604481314 862223382 /nfs/dbraw/zinc/22/33/82/862223382.db2.gz BRQAIPFZMMAOGW-UHFFFAOYSA-N 1 2 397.478 3.883 20 30 GHEDLO CC[N@H+](Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000505786306 851420152 /nfs/dbraw/zinc/42/01/52/851420152.db2.gz YVBNSUHMMNYMSN-INIZCTEOSA-N 1 2 398.470 3.976 20 30 GHEDLO CC[N@@H+](Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000505786306 851420156 /nfs/dbraw/zinc/42/01/56/851420156.db2.gz YVBNSUHMMNYMSN-INIZCTEOSA-N 1 2 398.470 3.976 20 30 GHEDLO COc1cc(C#N)ccc1C[N@@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000120698155 851494079 /nfs/dbraw/zinc/49/40/79/851494079.db2.gz VBGWQGNVJUXDGC-UHFFFAOYSA-N 1 2 383.879 3.568 20 30 GHEDLO COc1cc(C#N)ccc1C[N@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000120698155 851494083 /nfs/dbraw/zinc/49/40/83/851494083.db2.gz VBGWQGNVJUXDGC-UHFFFAOYSA-N 1 2 383.879 3.568 20 30 GHEDLO [O-]C(=[NH+][C@@H]1c2ccccc2CC12CCOCC2)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329749488 862287654 /nfs/dbraw/zinc/28/76/54/862287654.db2.gz UILPGDSPQDFALQ-HXUWFJFHSA-N 1 2 380.492 3.597 20 30 GHEDLO C=CCCCS(=O)(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000489640138 852503056 /nfs/dbraw/zinc/50/30/56/852503056.db2.gz IIVAJPYNUNQRRR-UHFFFAOYSA-N 1 2 391.364 3.843 20 30 GHEDLO Cc1ccc(-c2cc(C[NH+]3CCN(c4ccc(C#N)cc4F)CC3)on2)cc1 ZINC000507184571 852635266 /nfs/dbraw/zinc/63/52/66/852635266.db2.gz SXAJLMVGVSCHLL-UHFFFAOYSA-N 1 2 376.435 3.983 20 30 GHEDLO N#Cc1cscc1C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000550282075 852644613 /nfs/dbraw/zinc/64/46/13/852644613.db2.gz PJCLPCXCZKXVJA-UHFFFAOYSA-N 1 2 376.445 3.509 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)c2ccccc2)c(OC(F)F)c1 ZINC000437840572 852781984 /nfs/dbraw/zinc/78/19/84/852781984.db2.gz MFYNWZICOLJRSK-IBGZPJMESA-N 1 2 399.441 3.944 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)c2ccccc2)c(OC(F)F)c1 ZINC000437840572 852781989 /nfs/dbraw/zinc/78/19/89/852781989.db2.gz MFYNWZICOLJRSK-IBGZPJMESA-N 1 2 399.441 3.944 20 30 GHEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000425736488 852812985 /nfs/dbraw/zinc/81/29/85/852812985.db2.gz HDJFIANMAZAFQP-MRXNPFEDSA-N 1 2 396.922 3.972 20 30 GHEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000425736488 852812988 /nfs/dbraw/zinc/81/29/88/852812988.db2.gz HDJFIANMAZAFQP-MRXNPFEDSA-N 1 2 396.922 3.972 20 30 GHEDLO C[C@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[NH+]1CCC(C)(C#N)CC1 ZINC000506023309 852985525 /nfs/dbraw/zinc/98/55/25/852985525.db2.gz VZXHDKWYOWNDFG-OAHLLOKOSA-N 1 2 396.516 3.953 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C)c1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000506069202 853272000 /nfs/dbraw/zinc/27/20/00/853272000.db2.gz BQGSATSHGCKJSG-UHFFFAOYSA-N 1 2 385.515 3.679 20 30 GHEDLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)CO[C@H]3CCCC[C@H]3C)c2)CC1 ZINC000329997022 862491516 /nfs/dbraw/zinc/49/15/16/862491516.db2.gz PVCHXTMYSGXMDA-UTKZUKDTSA-N 1 2 387.524 3.534 20 30 GHEDLO Cc1sc(NC(=O)C[NH+]2CCC3(CC2)OCCc2ccccc23)c(C#N)c1C ZINC000571262244 853821243 /nfs/dbraw/zinc/82/12/43/853821243.db2.gz SAFQKVQUUMHATB-UHFFFAOYSA-N 1 2 395.528 3.739 20 30 GHEDLO Cc1nc(CC2CC2)oc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000330033554 862520648 /nfs/dbraw/zinc/52/06/48/862520648.db2.gz VQCTUAHKPQOQRU-AEFFLSMTSA-N 1 2 375.419 3.964 20 30 GHEDLO Cc1nc(CC2CC2)oc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000330033554 862520661 /nfs/dbraw/zinc/52/06/61/862520661.db2.gz VQCTUAHKPQOQRU-AEFFLSMTSA-N 1 2 375.419 3.964 20 30 GHEDLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nnc(-c3cccc(C#N)c3)o2)c(OC)c1 ZINC000441245389 854020790 /nfs/dbraw/zinc/02/07/90/854020790.db2.gz MPZJYPUMIIBXAX-IBGZPJMESA-N 1 2 390.443 3.963 20 30 GHEDLO COc1ccc([C@@H]2CCC[N@H+]2Cc2nnc(-c3cccc(C#N)c3)o2)c(OC)c1 ZINC000441245389 854020797 /nfs/dbraw/zinc/02/07/97/854020797.db2.gz MPZJYPUMIIBXAX-IBGZPJMESA-N 1 2 390.443 3.963 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCC23CCOCC3)[C@@H]1c1ccc(F)c(F)c1 ZINC000328651318 854489871 /nfs/dbraw/zinc/48/98/71/854489871.db2.gz JOMNTQIWLPCHBK-OTWHNJEPSA-N 1 2 393.478 3.563 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCCC23CCOCC3)[C@@H]1c1ccc(F)c(F)c1 ZINC000328651318 854489874 /nfs/dbraw/zinc/48/98/74/854489874.db2.gz JOMNTQIWLPCHBK-OTWHNJEPSA-N 1 2 393.478 3.563 20 30 GHEDLO Cc1ncc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)s1 ZINC000328817463 854548383 /nfs/dbraw/zinc/54/83/83/854548383.db2.gz GWTKLZQPUDTSCU-CVEARBPZSA-N 1 2 382.892 3.693 20 30 GHEDLO Cc1ncc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)s1 ZINC000328817463 854548387 /nfs/dbraw/zinc/54/83/87/854548387.db2.gz GWTKLZQPUDTSCU-CVEARBPZSA-N 1 2 382.892 3.693 20 30 GHEDLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CC[C@@H](C2CCOCC2)C1 ZINC000328826682 854552821 /nfs/dbraw/zinc/55/28/21/854552821.db2.gz SGVUPHDBRUJJHR-GOSISDBHSA-N 1 2 392.503 3.896 20 30 GHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[C@H](C4CCOCC4)C3)n2)C1 ZINC000328856391 854580033 /nfs/dbraw/zinc/58/00/33/854580033.db2.gz UFNFXTHACFKUCB-RDJZCZTQSA-N 1 2 392.569 3.669 20 30 GHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[C@H](C4CCOCC4)C3)n2)C1 ZINC000328856391 854580041 /nfs/dbraw/zinc/58/00/41/854580041.db2.gz UFNFXTHACFKUCB-RDJZCZTQSA-N 1 2 392.569 3.669 20 30 GHEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)c2csc3c2CCCC3)CCC(=O)N1C1CC1 ZINC000328993721 854644373 /nfs/dbraw/zinc/64/43/73/854644373.db2.gz GDPDPYMTLFHNDM-OXQOHEQNSA-N 1 2 398.532 3.560 20 30 GHEDLO CC(C)N1C(=O)N[C@@H]2C[N@@H+](CC(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)CC[C@@H]21 ZINC000328998444 854646644 /nfs/dbraw/zinc/64/66/44/854646644.db2.gz GCEAULHNEQGHGJ-DQLDELGASA-N 1 2 398.551 3.664 20 30 GHEDLO CC(C)N1C(=O)N[C@@H]2C[N@H+](CC(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)CC[C@@H]21 ZINC000328998444 854646647 /nfs/dbraw/zinc/64/66/47/854646647.db2.gz GCEAULHNEQGHGJ-DQLDELGASA-N 1 2 398.551 3.664 20 30 GHEDLO O=C(C[N@@H+]1CCS[C@@H]2COCC[C@H]21)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000330179690 862637459 /nfs/dbraw/zinc/63/74/59/862637459.db2.gz MQEKTHIMZZDIBS-HZPDHXFCSA-N 1 2 393.509 3.744 20 30 GHEDLO O=C(C[N@H+]1CCS[C@@H]2COCC[C@H]21)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000330179690 862637465 /nfs/dbraw/zinc/63/74/65/862637465.db2.gz MQEKTHIMZZDIBS-HZPDHXFCSA-N 1 2 393.509 3.744 20 30 GHEDLO C[C@H]1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)C[C@H]1n1cc[nH+]c1 ZINC000123083501 855607294 /nfs/dbraw/zinc/60/72/94/855607294.db2.gz ASAKOOGQYRWDNZ-QFBILLFUSA-N 1 2 390.443 3.650 20 30 GHEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N[C@@H]2CCOC3(CCC3)C2)C[C@@H](C)O1 ZINC000330259719 862701390 /nfs/dbraw/zinc/70/13/90/862701390.db2.gz NPGDRDFEDHPCQC-ZHALLVOQSA-N 1 2 387.524 3.723 20 30 GHEDLO N#Cc1nccnc1N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000301762733 855754984 /nfs/dbraw/zinc/75/49/84/855754984.db2.gz DOEUGJZBEPYARW-NRFANRHFSA-N 1 2 389.890 3.913 20 30 GHEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000465753431 855859504 /nfs/dbraw/zinc/85/95/04/855859504.db2.gz QDQHEHOUNZZYHO-UNMCSNQZSA-N 1 2 385.471 3.854 20 30 GHEDLO C[C@@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)Cn1cc[nH+]c1 ZINC000153783703 856101094 /nfs/dbraw/zinc/10/10/94/856101094.db2.gz YCJZAOGWTQPMGV-INIZCTEOSA-N 1 2 376.485 3.972 20 30 GHEDLO C[C@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000674460015 856305884 /nfs/dbraw/zinc/30/58/84/856305884.db2.gz ALFGOCWNUXCVAQ-WQAKAFBOSA-N 1 2 386.311 3.503 20 30 GHEDLO C[C@H](C(=O)NCc1ccc(F)cc1)[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000674460015 856305897 /nfs/dbraw/zinc/30/58/97/856305897.db2.gz ALFGOCWNUXCVAQ-WQAKAFBOSA-N 1 2 386.311 3.503 20 30 GHEDLO Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CC[NH+](CCCCC#N)CC1 ZINC000058372286 856680676 /nfs/dbraw/zinc/68/06/76/856680676.db2.gz ZFPWRXWVIWTTDX-UHFFFAOYSA-N 1 2 391.581 3.601 20 30 GHEDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)CC2)cc1 ZINC000181418802 862871392 /nfs/dbraw/zinc/87/13/92/862871392.db2.gz HVSLNVRKNQFETH-UHFFFAOYSA-N 1 2 389.499 3.598 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1Cl ZINC000008318393 857110422 /nfs/dbraw/zinc/11/04/22/857110422.db2.gz CVIXMPDVSDBULE-GOSISDBHSA-N 1 2 397.862 3.758 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1Cl ZINC000008318393 857110430 /nfs/dbraw/zinc/11/04/30/857110430.db2.gz CVIXMPDVSDBULE-GOSISDBHSA-N 1 2 397.862 3.758 20 30 GHEDLO CSc1c(F)cc(NC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)cc1F ZINC000330321547 862903078 /nfs/dbraw/zinc/90/30/78/862903078.db2.gz GBAHZMRGXDLLLU-BMIGLBTASA-N 1 2 382.436 3.666 20 30 GHEDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccc1 ZINC000330333325 862974042 /nfs/dbraw/zinc/97/40/42/862974042.db2.gz YHFIKZMJGIACGK-NMLBUPMWSA-N 1 2 392.503 3.628 20 30 GHEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168597103 858081671 /nfs/dbraw/zinc/08/16/71/858081671.db2.gz RJWZLEUNJYWEKV-AKIFATBCSA-N 1 2 395.499 3.845 20 30 GHEDLO COc1cc(C[NH+]2CCN(Cc3csc(C(C)(C)C)n3)CC2)ccc1C#N ZINC000442803973 858144583 /nfs/dbraw/zinc/14/45/83/858144583.db2.gz VOWNTVWVIZQBIK-UHFFFAOYSA-N 1 2 384.549 3.639 20 30 GHEDLO N#CCCCCC(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000594421492 858184580 /nfs/dbraw/zinc/18/45/80/858184580.db2.gz XDTIYGSLAWKCOX-UHFFFAOYSA-N 1 2 389.297 3.758 20 30 GHEDLO C[N@H+](Cc1ccc2nc(NS(=O)(=O)c3ccc(C#N)cc3)sc2c1)C1CC1 ZINC000594729867 858266929 /nfs/dbraw/zinc/26/69/29/858266929.db2.gz YDQCOSYKQROFRU-UHFFFAOYSA-N 1 2 398.513 3.563 20 30 GHEDLO C[N@@H+](Cc1ccc2nc(NS(=O)(=O)c3ccc(C#N)cc3)sc2c1)C1CC1 ZINC000594729867 858266937 /nfs/dbraw/zinc/26/69/37/858266937.db2.gz YDQCOSYKQROFRU-UHFFFAOYSA-N 1 2 398.513 3.563 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(C4CCC4)cn3)CC2)cc1 ZINC000574900871 858390463 /nfs/dbraw/zinc/39/04/63/858390463.db2.gz XRRSNHXJITUQSM-UHFFFAOYSA-N 1 2 375.476 3.570 20 30 GHEDLO COc1ccc(-c2csc(NC(=O)[C@@H](C)[N@@H+]3CCC[C@H](CC#N)C3)n2)cc1 ZINC000595619504 858619912 /nfs/dbraw/zinc/61/99/12/858619912.db2.gz CAWIPKJIWFWXKY-HUUCEWRRSA-N 1 2 384.505 3.771 20 30 GHEDLO COc1ccc(-c2csc(NC(=O)[C@@H](C)[N@H+]3CCC[C@H](CC#N)C3)n2)cc1 ZINC000595619504 858619915 /nfs/dbraw/zinc/61/99/15/858619915.db2.gz CAWIPKJIWFWXKY-HUUCEWRRSA-N 1 2 384.505 3.771 20 30 GHEDLO COc1cccc([C@]2(C)CC[N@H+](CC(=O)Nc3sc(C)c(C)c3C#N)C2)c1 ZINC000595763464 858663476 /nfs/dbraw/zinc/66/34/76/858663476.db2.gz DVPKVRHACHDGBK-OAQYLSRUSA-N 1 2 383.517 3.847 20 30 GHEDLO COc1cccc([C@]2(C)CC[N@@H+](CC(=O)Nc3sc(C)c(C)c3C#N)C2)c1 ZINC000595763464 858663479 /nfs/dbraw/zinc/66/34/79/858663479.db2.gz DVPKVRHACHDGBK-OAQYLSRUSA-N 1 2 383.517 3.847 20 30 GHEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCCc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000596673445 858985746 /nfs/dbraw/zinc/98/57/46/858985746.db2.gz IRXGIUDKQAJSOX-QZTJIDSGSA-N 1 2 392.503 3.532 20 30 GHEDLO N#CC1(CNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CCCCC1 ZINC000596861186 859141915 /nfs/dbraw/zinc/14/19/15/859141915.db2.gz FDRYDRUBGGUZCK-UXHICEINSA-N 1 2 377.492 3.885 20 30 GHEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000443643501 859142086 /nfs/dbraw/zinc/14/20/86/859142086.db2.gz VWNQNZBCFWHEIS-JXXFODFXSA-N 1 2 377.916 3.626 20 30 GHEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000443643501 859142091 /nfs/dbraw/zinc/14/20/91/859142091.db2.gz VWNQNZBCFWHEIS-JXXFODFXSA-N 1 2 377.916 3.626 20 30 GHEDLO CCOC1CC[NH+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)CC1 ZINC000060485368 859332212 /nfs/dbraw/zinc/33/22/12/859332212.db2.gz VKJUABGQXMNDKM-UHFFFAOYSA-N 1 2 386.540 3.921 20 30 GHEDLO N#Cc1sccc1N1CC[NH+](Cc2ccccc2OCc2cccnc2)CC1 ZINC000597184007 859343607 /nfs/dbraw/zinc/34/36/07/859343607.db2.gz QHRABYNAPQICPE-UHFFFAOYSA-N 1 2 390.512 3.916 20 30 GHEDLO CC(C)(CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1)[NH+]1CCOCC1 ZINC000069203130 859387466 /nfs/dbraw/zinc/38/74/66/859387466.db2.gz ZYAWECXDXPKQRV-UHFFFAOYSA-N 1 2 394.475 3.583 20 30 GHEDLO C#CC[C@]1(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CCCN1C(=O)OC(C)(C)C ZINC000764339178 859400606 /nfs/dbraw/zinc/40/06/06/859400606.db2.gz VYBPIDSAEHIAHQ-JOCHJYFZSA-N 1 2 394.475 3.604 20 30 GHEDLO COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000161109770 859601930 /nfs/dbraw/zinc/60/19/30/859601930.db2.gz BHXNRXBSQLQPRD-MRXNPFEDSA-N 1 2 388.427 3.757 20 30 GHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCC[C@H]2C(F)F)c1C#N ZINC000611180652 859635244 /nfs/dbraw/zinc/63/52/44/859635244.db2.gz CJPNSANYNGCXRZ-KRWDZBQOSA-N 1 2 390.434 3.676 20 30 GHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCC[C@H]2C(F)F)c1C#N ZINC000611180652 859635249 /nfs/dbraw/zinc/63/52/49/859635249.db2.gz CJPNSANYNGCXRZ-KRWDZBQOSA-N 1 2 390.434 3.676 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c1C#N ZINC000611347587 859723398 /nfs/dbraw/zinc/72/33/98/859723398.db2.gz HEWNKQVLAIMKTQ-NRFANRHFSA-N 1 2 394.519 3.603 20 30 GHEDLO C=CCn1c(-c2cccc(OC)c2)nn(C[N@H+](CC)C[C@H]2CCOC2)c1=S ZINC000765008848 859735834 /nfs/dbraw/zinc/73/58/34/859735834.db2.gz JCFXZYTUYLDQEX-MRXNPFEDSA-N 1 2 388.537 3.592 20 30 GHEDLO C=CCn1c(-c2cccc(OC)c2)nn(C[N@@H+](CC)C[C@H]2CCOC2)c1=S ZINC000765008848 859735841 /nfs/dbraw/zinc/73/58/41/859735841.db2.gz JCFXZYTUYLDQEX-MRXNPFEDSA-N 1 2 388.537 3.592 20 30 GHEDLO C[C@@H](c1ccncc1)[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000611530651 859802130 /nfs/dbraw/zinc/80/21/30/859802130.db2.gz HJQVXFHNRGRRSY-HNAYVOBHSA-N 1 2 385.309 3.788 20 30 GHEDLO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161335048 859863671 /nfs/dbraw/zinc/86/36/71/859863671.db2.gz ZLBIMCUECUTPCT-IBGZPJMESA-N 1 2 386.455 3.843 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000602855964 860316368 /nfs/dbraw/zinc/31/63/68/860316368.db2.gz QTJRKNXZHSKASK-GDBMZVCRSA-N 1 2 380.517 3.710 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000602855964 860316376 /nfs/dbraw/zinc/31/63/76/860316376.db2.gz QTJRKNXZHSKASK-GDBMZVCRSA-N 1 2 380.517 3.710 20 30 GHEDLO Cc1nsc(N2CC[NH+](Cc3ccc(Cl)c4cccnc34)CC2)c1C#N ZINC000329778870 860431963 /nfs/dbraw/zinc/43/19/63/860431963.db2.gz LNFVEQXGRUSVII-UHFFFAOYSA-N 1 2 383.908 3.847 20 30 GHEDLO Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000329190341 861122545 /nfs/dbraw/zinc/12/25/45/861122545.db2.gz QZNDCQNJULTTKY-SFHVURJKSA-N 1 2 389.588 3.660 20 30 GHEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ncc(C2CCCCC2)s1 ZINC000329234430 861180142 /nfs/dbraw/zinc/18/01/42/861180142.db2.gz HTGNYPSIYMKHPP-HOCLYGCPSA-N 1 2 378.542 3.531 20 30 GHEDLO Cc1nc(NCc2cccc(C(=O)N[C@H](CCCC#N)c3ccccc3)c2)cc[nH+]1 ZINC000487455592 863081715 /nfs/dbraw/zinc/08/17/15/863081715.db2.gz NJRXHNUFSLYGSK-JOCHJYFZSA-N 1 2 399.498 3.984 20 30 GHEDLO CC(C)COC[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccco1 ZINC000184185852 864189776 /nfs/dbraw/zinc/18/97/76/864189776.db2.gz NVEILKDMZXPHOJ-KRWDZBQOSA-N 1 2 375.856 3.747 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186163172 864375400 /nfs/dbraw/zinc/37/54/00/864375400.db2.gz LSHKUXCGTLHMOT-AWEZNQCLSA-N 1 2 377.513 3.983 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186163172 864375418 /nfs/dbraw/zinc/37/54/18/864375418.db2.gz LSHKUXCGTLHMOT-AWEZNQCLSA-N 1 2 377.513 3.983 20 30 GHEDLO COc1ccc(CC(N)=[NH+]OCc2cc(Cl)ccc2OCC#N)cc1OC ZINC000735303193 864717233 /nfs/dbraw/zinc/71/72/33/864717233.db2.gz NMGKUGWYUZZWRN-UHFFFAOYSA-N 1 2 389.839 3.501 20 30 GHEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000475346836 864835713 /nfs/dbraw/zinc/83/57/13/864835713.db2.gz IWPFJSYINIRBPS-FQEVSTJZSA-N 1 2 392.894 3.508 20 30 GHEDLO CCN(C)c1ccc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cn1 ZINC000475354379 864842513 /nfs/dbraw/zinc/84/25/13/864842513.db2.gz YRHCDVBBTDDPEE-HXUWFJFHSA-N 1 2 383.927 3.574 20 30 GHEDLO CC(=O)Nc1ccccc1C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000475358366 864850953 /nfs/dbraw/zinc/85/09/53/864850953.db2.gz MXEMZBMZXVIYPL-OAQYLSRUSA-N 1 2 382.895 3.681 20 30 GHEDLO C=CCC1(NC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)CCOCC1 ZINC000665626244 865032751 /nfs/dbraw/zinc/03/27/51/865032751.db2.gz UABNCAZRLNXZPX-QZTJIDSGSA-N 1 2 387.524 3.543 20 30 GHEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@H](C)Cc3ccc(C#N)cc3)CC2)c1 ZINC000594281035 865683504 /nfs/dbraw/zinc/68/35/04/865683504.db2.gz AQOXVLHHGUSTBF-OALUTQOASA-N 1 2 391.515 3.651 20 30 GHEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@H](C)Cc3ccc(C#N)cc3)CC2)c1 ZINC000594281038 865684875 /nfs/dbraw/zinc/68/48/75/865684875.db2.gz AQOXVLHHGUSTBF-RTBURBONSA-N 1 2 391.515 3.651 20 30 GHEDLO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000920228322 881917212 /nfs/dbraw/zinc/91/72/12/881917212.db2.gz HPDJLUGXVUDUCT-UHFFFAOYSA-N 1 2 389.390 3.505 20 30 GHEDLO CCc1ccccc1O[C@@H](C)C(=O)N1CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000609915912 866141098 /nfs/dbraw/zinc/14/10/98/866141098.db2.gz WPOCGFAQWJEARZ-MOPGFXCFSA-N 1 2 391.515 3.793 20 30 GHEDLO CC[N@H+](C)[C@H](C(=O)O[C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000741150478 866291080 /nfs/dbraw/zinc/29/10/80/866291080.db2.gz HESHSWCDWOAAIN-RXVVDRJESA-N 1 2 393.487 3.558 20 30 GHEDLO CC[N@@H+](C)[C@H](C(=O)O[C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000741150478 866291088 /nfs/dbraw/zinc/29/10/88/866291088.db2.gz HESHSWCDWOAAIN-RXVVDRJESA-N 1 2 393.487 3.558 20 30 GHEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CC=C(c2ccccc2C(F)(F)F)CC1)C1CC1 ZINC000153638723 866998052 /nfs/dbraw/zinc/99/80/52/866998052.db2.gz WUQGRZHAYQQOIZ-IBGZPJMESA-N 1 2 377.410 3.603 20 30 GHEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CC=C(c2ccccc2C(F)(F)F)CC1)C1CC1 ZINC000153638723 866998061 /nfs/dbraw/zinc/99/80/61/866998061.db2.gz WUQGRZHAYQQOIZ-IBGZPJMESA-N 1 2 377.410 3.603 20 30 GHEDLO C[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1nc2ccccc2n1C(F)F ZINC000444657197 867012938 /nfs/dbraw/zinc/01/29/38/867012938.db2.gz BONRTCOYWZHGNQ-JTQLQIEISA-N 1 2 375.404 3.654 20 30 GHEDLO C=CCc1cc(OCC)cc(C[N@@H+]2CCN(Cc3cccc(F)c3)C(=O)C2)c1O ZINC000742154883 867107651 /nfs/dbraw/zinc/10/76/51/867107651.db2.gz DDVWGUNSALQIPD-UHFFFAOYSA-N 1 2 398.478 3.503 20 30 GHEDLO C=CCc1cc(OCC)cc(C[N@H+]2CCN(Cc3cccc(F)c3)C(=O)C2)c1O ZINC000742154883 867107663 /nfs/dbraw/zinc/10/76/63/867107663.db2.gz DDVWGUNSALQIPD-UHFFFAOYSA-N 1 2 398.478 3.503 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(OC2CCCC2)CC1 ZINC000195325399 882063772 /nfs/dbraw/zinc/06/37/72/882063772.db2.gz KQVQPNDSTKKSCS-CQSZACIVSA-N 1 2 387.549 3.859 20 30 GHEDLO N#Cc1ccc(OC(F)F)c(NC(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000523765588 867915289 /nfs/dbraw/zinc/91/52/89/867915289.db2.gz GGFFNUCSHAWTQG-UHFFFAOYSA-N 1 2 383.358 3.667 20 30 GHEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)c1C#N ZINC000535207847 868349727 /nfs/dbraw/zinc/34/97/27/868349727.db2.gz SEPWEIHRLFCEFI-KRWDZBQOSA-N 1 2 380.419 3.579 20 30 GHEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)c1C#N ZINC000535207847 868349739 /nfs/dbraw/zinc/34/97/39/868349739.db2.gz SEPWEIHRLFCEFI-KRWDZBQOSA-N 1 2 380.419 3.579 20 30 GHEDLO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000152108103 868351495 /nfs/dbraw/zinc/35/14/95/868351495.db2.gz RJXHMDKIIKPJFC-QGZVFWFLSA-N 1 2 395.528 3.822 20 30 GHEDLO COc1ccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)cc1OC(F)F ZINC000155258084 868414395 /nfs/dbraw/zinc/41/43/95/868414395.db2.gz YDZYRYSQMJSPRN-SFHVURJKSA-N 1 2 387.430 3.679 20 30 GHEDLO CCc1nc2c(s1)[C@H]([N@H+](C)Cn1cc3c(c(C#N)c1=O)CCCC3)CCC2 ZINC000793503752 882249765 /nfs/dbraw/zinc/24/97/65/882249765.db2.gz KGVCTZZXQJRPCC-GOSISDBHSA-N 1 2 382.533 3.585 20 30 GHEDLO CCc1nc2c(s1)[C@H]([N@@H+](C)Cn1cc3c(c(C#N)c1=O)CCCC3)CCC2 ZINC000793503752 882249774 /nfs/dbraw/zinc/24/97/74/882249774.db2.gz KGVCTZZXQJRPCC-GOSISDBHSA-N 1 2 382.533 3.585 20 30 GHEDLO C=CCn1c(COc2ccc(Cl)cc2)nnc1SCCn1cc[nH+]c1 ZINC000121844982 882264898 /nfs/dbraw/zinc/26/48/98/882264898.db2.gz CRANBIUHDJNSCC-UHFFFAOYSA-N 1 2 375.885 3.685 20 30 GHEDLO CC[N@H+](C)[C@@H](C(=O)O[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1ccccc1 ZINC000745099629 869288748 /nfs/dbraw/zinc/28/87/48/869288748.db2.gz YIKSYYDEBGTZNB-YDJSWOFHSA-N 1 2 399.535 3.542 20 30 GHEDLO CC[N@@H+](C)[C@@H](C(=O)O[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1ccccc1 ZINC000745099629 869288762 /nfs/dbraw/zinc/28/87/62/869288762.db2.gz YIKSYYDEBGTZNB-YDJSWOFHSA-N 1 2 399.535 3.542 20 30 GHEDLO N#CCOc1ccc(CC(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc1 ZINC000171846908 870302629 /nfs/dbraw/zinc/30/26/29/870302629.db2.gz DFLIVIISYRPQMA-UHFFFAOYSA-N 1 2 386.455 3.970 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3ccc4ccccc4c3)CC2)cc1 ZINC000525307933 870323616 /nfs/dbraw/zinc/32/36/16/870323616.db2.gz MNXZEEVWKYGXHC-UHFFFAOYSA-N 1 2 384.483 3.739 20 30 GHEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1c(C)nn(CCC(=O)OC)c1C ZINC000506127148 870878704 /nfs/dbraw/zinc/87/87/04/870878704.db2.gz YDZVYVBNAGQFCE-UHFFFAOYSA-N 1 2 381.929 3.966 20 30 GHEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1c(C)nn(CCC(=O)OC)c1C ZINC000506127148 870878713 /nfs/dbraw/zinc/87/87/13/870878713.db2.gz YDZVYVBNAGQFCE-UHFFFAOYSA-N 1 2 381.929 3.966 20 30 GHEDLO N#Cc1sc(N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)nc1Cl ZINC000804328398 871583485 /nfs/dbraw/zinc/58/34/85/871583485.db2.gz NMSYTSHEMQWLEP-UHFFFAOYSA-N 1 2 383.304 3.523 20 30 GHEDLO C#Cc1cccc(NC(=O)NC(=O)C[N@H+]2CC=C(c3cccc(Cl)c3)CC2)c1 ZINC001169901565 871992083 /nfs/dbraw/zinc/99/20/83/871992083.db2.gz VQQDGCYDFNOBQI-UHFFFAOYSA-N 1 2 393.874 3.759 20 30 GHEDLO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CC=C(c3cccc(Cl)c3)CC2)c1 ZINC001169901565 871992090 /nfs/dbraw/zinc/99/20/90/871992090.db2.gz VQQDGCYDFNOBQI-UHFFFAOYSA-N 1 2 393.874 3.759 20 30 GHEDLO CC(C)(C)OC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC001194907979 872024781 /nfs/dbraw/zinc/02/47/81/872024781.db2.gz ZSVPKSJCVZSEJW-SFHVURJKSA-N 1 2 379.298 3.874 20 30 GHEDLO CC(C)(C)OC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC001194907979 872024799 /nfs/dbraw/zinc/02/47/99/872024799.db2.gz ZSVPKSJCVZSEJW-SFHVURJKSA-N 1 2 379.298 3.874 20 30 GHEDLO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000618840819 872048032 /nfs/dbraw/zinc/04/80/32/872048032.db2.gz LTOPYELZISMKGJ-VABKMULXSA-N 1 2 397.482 3.970 20 30 GHEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000477854601 872068098 /nfs/dbraw/zinc/06/80/98/872068098.db2.gz BRSXTKIWEZLWPU-GOSISDBHSA-N 1 2 387.499 3.886 20 30 GHEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCOC2(C1)CCCCCC2 ZINC000477854601 872068122 /nfs/dbraw/zinc/06/81/22/872068122.db2.gz BRSXTKIWEZLWPU-GOSISDBHSA-N 1 2 387.499 3.886 20 30 GHEDLO COc1ccc([C@H]([NH2+]CC(=O)NC2(C#N)CCC2)c2ccccc2Cl)c(C)c1 ZINC000527118134 872703197 /nfs/dbraw/zinc/70/31/97/872703197.db2.gz AJJLDXJSUYHZTE-NRFANRHFSA-N 1 2 397.906 3.899 20 30 GHEDLO N#Cc1ccc(CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1Cl ZINC000619756845 872969183 /nfs/dbraw/zinc/96/91/83/872969183.db2.gz ZTPUSVRVQPJTKO-UHFFFAOYSA-N 1 2 383.814 3.536 20 30 GHEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(CCc3ccccc3)CC2)cc1 ZINC000478438099 872996896 /nfs/dbraw/zinc/99/68/96/872996896.db2.gz WTNAWKWVIZWZHP-UHFFFAOYSA-N 1 2 382.529 3.677 20 30 GHEDLO COc1cc(C[NH+]2CCN([C@H](C#N)c3ccc(Cl)cc3)CC2)cc(OC)c1 ZINC000619847308 873074276 /nfs/dbraw/zinc/07/42/76/873074276.db2.gz QYJDDKGVFRNTFL-OAQYLSRUSA-N 1 2 385.895 3.740 20 30 GHEDLO Cc1ccccc1C[N@@H+]1CCO[C@H](c2noc(CC3(C#N)CCCCC3)n2)C1 ZINC000867179887 873168671 /nfs/dbraw/zinc/16/86/71/873168671.db2.gz DBUYCVVFZPWAHC-IBGZPJMESA-N 1 2 380.492 3.968 20 30 GHEDLO Cc1ccccc1C[N@H+]1CCO[C@H](c2noc(CC3(C#N)CCCCC3)n2)C1 ZINC000867179887 873168676 /nfs/dbraw/zinc/16/86/76/873168676.db2.gz DBUYCVVFZPWAHC-IBGZPJMESA-N 1 2 380.492 3.968 20 30 GHEDLO N#Cc1cccc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1Br ZINC000448726563 873823646 /nfs/dbraw/zinc/82/36/46/873823646.db2.gz RQCBIXNIMQCEBQ-UHFFFAOYSA-N 1 2 399.292 3.636 20 30 GHEDLO CC(C)(C)OC(=O)N1CCN(c2ccc(NCc3ccc(C#N)s3)[nH+]c2)CC1 ZINC000769409496 874029595 /nfs/dbraw/zinc/02/95/95/874029595.db2.gz UVUKUYONZUWQES-UHFFFAOYSA-N 1 2 399.520 3.684 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000177475543 882804329 /nfs/dbraw/zinc/80/43/29/882804329.db2.gz CZNBJLAAFUUBKN-SFHVURJKSA-N 1 2 390.549 3.563 20 30 GHEDLO C[C@H]1CN(c2ccccc2C=[NH+]Nc2ccnc(Br)c2)CCO1 ZINC000769803423 874296813 /nfs/dbraw/zinc/29/68/13/874296813.db2.gz MWXWHWPPDYHNNG-ZDUSSCGKSA-N 1 2 375.270 3.515 20 30 GHEDLO C[C@H](C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000449049182 874419131 /nfs/dbraw/zinc/41/91/31/874419131.db2.gz RCUWLILEMGTJKD-YHYVQYDKSA-N 1 2 382.529 3.965 20 30 GHEDLO C[C@H](C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000449049182 874419140 /nfs/dbraw/zinc/41/91/40/874419140.db2.gz RCUWLILEMGTJKD-YHYVQYDKSA-N 1 2 382.529 3.965 20 30 GHEDLO N#Cc1ccc(CSc2nnc(NC(=O)c3cccc4[nH+]ccn43)s2)cc1 ZINC000770054600 874429085 /nfs/dbraw/zinc/42/90/85/874429085.db2.gz FACMBHHUKNADGS-UHFFFAOYSA-N 1 2 392.469 3.602 20 30 GHEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(SC(F)(F)F)cc1 ZINC000770307538 874589411 /nfs/dbraw/zinc/58/94/11/874589411.db2.gz YNPFQNZTHZZGPB-ZDUSSCGKSA-N 1 2 393.438 3.671 20 30 GHEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(SC(F)(F)F)cc1 ZINC000770307538 874589416 /nfs/dbraw/zinc/58/94/16/874589416.db2.gz YNPFQNZTHZZGPB-ZDUSSCGKSA-N 1 2 393.438 3.671 20 30 GHEDLO O=C(OCCC#Cc1ccc(C[NH+]2CCOCC2)cc1)c1cc2ccsc2[nH]1 ZINC000770859523 874891245 /nfs/dbraw/zinc/89/12/45/874891245.db2.gz SQDPWIYBTAMFKN-UHFFFAOYSA-N 1 2 394.496 3.660 20 30 GHEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC#N)cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542092323 874933137 /nfs/dbraw/zinc/93/31/37/874933137.db2.gz CNQAPYFSDPKIKN-UYAOXDASSA-N 1 2 387.405 3.735 20 30 GHEDLO CC[N@H+]1CC[C@@H](NC(=O)c2ccc(CC#N)cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542092323 874933144 /nfs/dbraw/zinc/93/31/44/874933144.db2.gz CNQAPYFSDPKIKN-UYAOXDASSA-N 1 2 387.405 3.735 20 30 GHEDLO C[C@H](C#N)CN[NH+]=CC1=C(N2CCOCC2)/C(=C\c2ccc(Cl)cc2)CC1 ZINC000771097774 875037187 /nfs/dbraw/zinc/03/71/87/875037187.db2.gz JAOQZRMJXIOYNT-YMRHMBBHSA-N 1 2 384.911 3.839 20 30 GHEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000746513491 875454927 /nfs/dbraw/zinc/45/49/27/875454927.db2.gz JUFHNFLJGRKTCR-HNNXBMFYSA-N 1 2 384.398 3.536 20 30 GHEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000746513491 875454934 /nfs/dbraw/zinc/45/49/34/875454934.db2.gz JUFHNFLJGRKTCR-HNNXBMFYSA-N 1 2 384.398 3.536 20 30 GHEDLO N#CC1(NC(=O)C[N@H+]2CC[C@@H](c3cccc(Br)c3)C2)CCCCC1 ZINC000451564420 878159874 /nfs/dbraw/zinc/15/98/74/878159874.db2.gz GKJJNKZZPYWGFA-MRXNPFEDSA-N 1 2 390.325 3.581 20 30 GHEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@@H](c3cccc(Br)c3)C2)CCCCC1 ZINC000451564420 878159881 /nfs/dbraw/zinc/15/98/81/878159881.db2.gz GKJJNKZZPYWGFA-MRXNPFEDSA-N 1 2 390.325 3.581 20 30 GHEDLO CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)CO[NH+]=C(N)Cc2cccnc2)cc1 ZINC000179921484 878183229 /nfs/dbraw/zinc/18/32/29/878183229.db2.gz IQNSRCADHSAGAA-FQEVSTJZSA-N 1 2 394.519 3.574 20 30 GHEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](CCC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000852327934 878243705 /nfs/dbraw/zinc/24/37/05/878243705.db2.gz WRSNUGCKBIDQLW-XUZZJYLKSA-N 1 2 388.515 3.523 20 30 GHEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](CCC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000852327934 878243718 /nfs/dbraw/zinc/24/37/18/878243718.db2.gz WRSNUGCKBIDQLW-XUZZJYLKSA-N 1 2 388.515 3.523 20 30 GHEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000852333058 878251338 /nfs/dbraw/zinc/25/13/38/878251338.db2.gz YNMTYABZSZKTCZ-ICSRJNTNSA-N 1 2 389.421 3.561 20 30 GHEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000852333058 878251356 /nfs/dbraw/zinc/25/13/56/878251356.db2.gz YNMTYABZSZKTCZ-ICSRJNTNSA-N 1 2 389.421 3.561 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)Nc2cccc(CC#N)c2)[C@H](C)C1 ZINC000455911275 878365742 /nfs/dbraw/zinc/36/57/42/878365742.db2.gz VSQPVDHSLVNKNZ-GOSISDBHSA-N 1 2 392.503 3.890 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)Nc2cccc(CC#N)c2)[C@H](C)C1 ZINC000455911275 878365758 /nfs/dbraw/zinc/36/57/58/878365758.db2.gz VSQPVDHSLVNKNZ-GOSISDBHSA-N 1 2 392.503 3.890 20 30 GHEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCOC[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000451797962 878515618 /nfs/dbraw/zinc/51/56/18/878515618.db2.gz LAOXGCZMBGHTSP-LJQANCHMSA-N 1 2 387.842 3.753 20 30 GHEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCOC[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000451797962 878515635 /nfs/dbraw/zinc/51/56/35/878515635.db2.gz LAOXGCZMBGHTSP-LJQANCHMSA-N 1 2 387.842 3.753 20 30 GHEDLO C=C(C)Cn1c(C2CC2)nnc1N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000460809131 878601656 /nfs/dbraw/zinc/60/16/56/878601656.db2.gz LQEUGGITAHJYLX-UHFFFAOYSA-N 1 2 380.540 3.870 20 30 GHEDLO COC(=O)c1ccc(N[NH+]=Cc2ccc(N3CCC(O)CC3)cc2)cc1Cl ZINC000853332180 878972731 /nfs/dbraw/zinc/97/27/31/878972731.db2.gz FNESAUHZXQHRBY-UHFFFAOYSA-N 1 2 387.867 3.534 20 30 GHEDLO C=CC[C@H]1CCC[N@@H+](Cn2nc([C@@H]3COc4ccccc4O3)n(C)c2=S)C1 ZINC000853536263 879096181 /nfs/dbraw/zinc/09/61/81/879096181.db2.gz QXSGQLCVEXQFTO-YJBOKZPZSA-N 1 2 386.521 3.709 20 30 GHEDLO C=CC[C@H]1CCC[N@H+](Cn2nc([C@@H]3COc4ccccc4O3)n(C)c2=S)C1 ZINC000853536263 879096196 /nfs/dbraw/zinc/09/61/96/879096196.db2.gz QXSGQLCVEXQFTO-YJBOKZPZSA-N 1 2 386.521 3.709 20 30 GHEDLO N#CCCn1cc(C(=O)C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c2ccccc21 ZINC000285752825 912421556 /nfs/dbraw/zinc/42/15/56/912421556.db2.gz YWUPJAFMCIBAMP-IBGZPJMESA-N 1 2 393.409 3.517 20 30 GHEDLO N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c2ccccc21 ZINC000285752825 912421560 /nfs/dbraw/zinc/42/15/60/912421560.db2.gz YWUPJAFMCIBAMP-IBGZPJMESA-N 1 2 393.409 3.517 20 30 GHEDLO C=CCn1c(-c2ccco2)nn(C[N@@H+](CCOC)[C@H]2CC[C@@H](C)C2)c1=S ZINC000790480609 879754392 /nfs/dbraw/zinc/75/43/92/879754392.db2.gz STWCLDRTTFOCBO-CVEARBPZSA-N 1 2 376.526 3.955 20 30 GHEDLO C=CCn1c(-c2ccco2)nn(C[N@H+](CCOC)[C@H]2CC[C@@H](C)C2)c1=S ZINC000790480609 879754412 /nfs/dbraw/zinc/75/44/12/879754412.db2.gz STWCLDRTTFOCBO-CVEARBPZSA-N 1 2 376.526 3.955 20 30 GHEDLO Cc1nc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)sc1SCC#N ZINC000609492135 883256594 /nfs/dbraw/zinc/25/65/94/883256594.db2.gz DOGCSYLWICDAAQ-ZDUSSCGKSA-N 1 2 380.926 3.962 20 30 GHEDLO C[N@@H+](Cc1ccc(F)cc1C#N)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000609710695 883567763 /nfs/dbraw/zinc/56/77/63/883567763.db2.gz NNUITEUEUIUANE-INIZCTEOSA-N 1 2 382.357 3.588 20 30 GHEDLO C[N@H+](Cc1ccc(F)cc1C#N)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000609710695 883567771 /nfs/dbraw/zinc/56/77/71/883567771.db2.gz NNUITEUEUIUANE-INIZCTEOSA-N 1 2 382.357 3.588 20 30 GHEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(C)(C)c3ccc(C#N)cc3)CC2)c1 ZINC000859199365 883655358 /nfs/dbraw/zinc/65/53/58/883655358.db2.gz OEAKUJCSGGROQH-GOSISDBHSA-N 1 2 391.515 3.750 20 30 GHEDLO C#CCOc1ccc(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1 ZINC000761736624 883888097 /nfs/dbraw/zinc/88/80/97/883888097.db2.gz OTCAJWVPXNZEAR-VXKWHMMOSA-N 1 2 386.455 3.945 20 30 GHEDLO C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000805785863 884070692 /nfs/dbraw/zinc/07/06/92/884070692.db2.gz KDYDTSPKPBCBBU-GHTZIAJQSA-N 1 2 381.545 3.771 20 30 GHEDLO C[C@H](NC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)c1cccc(C#N)c1 ZINC000610351854 884088566 /nfs/dbraw/zinc/08/85/66/884088566.db2.gz KCSYTYSKTKNPNA-MAUKXSAKSA-N 1 2 398.457 3.861 20 30 GHEDLO C[C@H](NC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)c1cccc(C#N)c1 ZINC000610351854 884088578 /nfs/dbraw/zinc/08/85/78/884088578.db2.gz KCSYTYSKTKNPNA-MAUKXSAKSA-N 1 2 398.457 3.861 20 30 GHEDLO N#Cc1ccc(C2([NH2+]Cc3nnc(-c4cccc(F)c4)o3)CCOCC2)cc1 ZINC000859882124 884144880 /nfs/dbraw/zinc/14/48/80/884144880.db2.gz OBYIOBNDCMJOKJ-UHFFFAOYSA-N 1 2 378.407 3.543 20 30 GHEDLO O=C(NCC#Cc1cccc(C(F)(F)F)c1)NCCCCNc1cccc[nH+]1 ZINC000105101769 884214955 /nfs/dbraw/zinc/21/49/55/884214955.db2.gz FFWSYMMMSZDLLX-UHFFFAOYSA-N 1 2 390.409 3.643 20 30 GHEDLO C[C@@]1(C#N)CCCN(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000612124945 884266520 /nfs/dbraw/zinc/26/65/20/884266520.db2.gz WPIMWKUBWUSLHM-XLIONFOSSA-N 1 2 392.906 3.779 20 30 GHEDLO C[C@@]1(C#N)CCCN(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000612124945 884266534 /nfs/dbraw/zinc/26/65/34/884266534.db2.gz WPIMWKUBWUSLHM-XLIONFOSSA-N 1 2 392.906 3.779 20 30 GHEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CCSCc2ccccc2)CC1=O ZINC000914596555 884272778 /nfs/dbraw/zinc/27/27/78/884272778.db2.gz SCVMXCZOXYUHKS-UHFFFAOYSA-N 1 2 392.528 3.580 20 30 GHEDLO C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)CCC1(F)F ZINC001183828455 912835133 /nfs/dbraw/zinc/83/51/33/912835133.db2.gz HNRDFPNZMJYMCB-APWZRJJASA-N 1 2 375.463 3.807 20 30 GHEDLO C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)CCC1(F)F ZINC001183828455 912835147 /nfs/dbraw/zinc/83/51/47/912835147.db2.gz HNRDFPNZMJYMCB-APWZRJJASA-N 1 2 375.463 3.807 20 30 GHEDLO COCC[N@H+](CC(=O)N[C@H](c1cccs1)C(C)(C)C)Cc1ccc(C#N)cc1 ZINC000532408263 884627254 /nfs/dbraw/zinc/62/72/54/884627254.db2.gz XLPRVHVVTRIIRZ-OAQYLSRUSA-N 1 2 399.560 3.972 20 30 GHEDLO COCC[N@@H+](CC(=O)N[C@H](c1cccs1)C(C)(C)C)Cc1ccc(C#N)cc1 ZINC000532408263 884627263 /nfs/dbraw/zinc/62/72/63/884627263.db2.gz XLPRVHVVTRIIRZ-OAQYLSRUSA-N 1 2 399.560 3.972 20 30 GHEDLO COc1ccc2c(c1)[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N)CC2 ZINC001183842009 912846550 /nfs/dbraw/zinc/84/65/50/912846550.db2.gz QMLQODQHZGHMMQ-XZOQPEGZSA-N 1 2 389.499 3.725 20 30 GHEDLO COc1ccc2c(c1)[C@@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N)CC2 ZINC001183842009 912846568 /nfs/dbraw/zinc/84/65/68/912846568.db2.gz QMLQODQHZGHMMQ-XZOQPEGZSA-N 1 2 389.499 3.725 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[C@H]3c3cccc(Cl)c3)CC2)cc1 ZINC000498582114 884930485 /nfs/dbraw/zinc/93/04/85/884930485.db2.gz CXYGFRWQFMWBSE-SFTDATJTSA-N 1 2 379.891 3.660 20 30 GHEDLO CCCC(C#N)(CCC)NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000106421694 885056934 /nfs/dbraw/zinc/05/69/34/885056934.db2.gz ZEFCZLQQBBFCAY-UHFFFAOYSA-N 1 2 381.480 3.504 20 30 GHEDLO COc1cncc(CO[NH+]=C(N)c2ccc(COc3ccccc3F)cc2)c1 ZINC000808255357 886155814 /nfs/dbraw/zinc/15/58/14/886155814.db2.gz IUYSIVNRMHLHIE-UHFFFAOYSA-N 1 2 381.407 3.645 20 30 GHEDLO C=CCOc1cccc(C[NH+]2CCN(CC(=O)Nc3c(C)cccc3C)CC2)c1 ZINC000119409996 886666576 /nfs/dbraw/zinc/66/65/76/886666576.db2.gz LRRBGPJSCHRNOI-UHFFFAOYSA-N 1 2 393.531 3.625 20 30 GHEDLO N#Cc1ccc(-c2ccn(C[N@H+]3CCC[C@@]4(CC(=O)c5ccccc5O4)C3)n2)cc1 ZINC000863299802 887013205 /nfs/dbraw/zinc/01/32/05/887013205.db2.gz UXNVRDHWTLIDDF-XMMPIXPASA-N 1 2 398.466 3.879 20 30 GHEDLO N#Cc1ccc(-c2ccn(C[N@@H+]3CCC[C@@]4(CC(=O)c5ccccc5O4)C3)n2)cc1 ZINC000863299802 887013222 /nfs/dbraw/zinc/01/32/22/887013222.db2.gz UXNVRDHWTLIDDF-XMMPIXPASA-N 1 2 398.466 3.879 20 30 GHEDLO Cc1cc(C[NH+]2CCN(c3c(C#N)cnc4c(F)ccc(Cl)c43)CC2)on1 ZINC000193714045 887291107 /nfs/dbraw/zinc/29/11/07/887291107.db2.gz KUXJYQDQPBHAMW-UHFFFAOYSA-N 1 2 385.830 3.518 20 30 GHEDLO C[NH+](C)Cc1cnc(/C=C2\COc3c(Br)cccc3C2=O)s1 ZINC000794699425 887889036 /nfs/dbraw/zinc/88/90/36/887889036.db2.gz MCPMRJQLCKKFBF-UXBLZVDNSA-N 1 2 379.279 3.626 20 30 GHEDLO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000194133108 888057986 /nfs/dbraw/zinc/05/79/86/888057986.db2.gz QUDRBWNXBRAFPM-UHFFFAOYSA-N 1 2 391.450 3.696 20 30 GHEDLO CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000810532913 888607084 /nfs/dbraw/zinc/60/70/84/888607084.db2.gz WKVJRFNPNLYVDI-PGRDOPGGSA-N 1 2 387.499 3.889 20 30 GHEDLO CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)cc1 ZINC000810532913 888607092 /nfs/dbraw/zinc/60/70/92/888607092.db2.gz WKVJRFNPNLYVDI-PGRDOPGGSA-N 1 2 387.499 3.889 20 30 GHEDLO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3ccc(O[C@@H](C)C#N)cc3)n2)c1 ZINC000237351984 888688494 /nfs/dbraw/zinc/68/84/94/888688494.db2.gz ORXMMXJDAHLDHZ-LSDHHAIUSA-N 1 2 378.432 3.887 20 30 GHEDLO CCCCCCCCCCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000916160402 888776483 /nfs/dbraw/zinc/77/64/83/888776483.db2.gz JJFPPDUINXKSPI-UHFFFAOYSA-N 1 2 386.544 3.543 20 30 GHEDLO C[C@@H]([NH2+][C@@H](CCO)c1ccccc1Br)c1cccc(C#N)c1O ZINC000866335095 888835622 /nfs/dbraw/zinc/83/56/22/888835622.db2.gz DNECHLPBQYINOI-PXAZEXFGSA-N 1 2 375.266 3.801 20 30 GHEDLO COc1ccccc1N=C1SCCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000916313462 888915717 /nfs/dbraw/zinc/91/57/17/888915717.db2.gz JSPBFOMFAOGMFG-UHFFFAOYSA-N 1 2 392.484 3.817 20 30 GHEDLO CCOc1ccc(C[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C(C)C)cc1 ZINC000533147854 889888562 /nfs/dbraw/zinc/88/85/62/889888562.db2.gz AVXODBIDIHTEOK-UHFFFAOYSA-N 1 2 386.517 3.641 20 30 GHEDLO CCOc1ccc(C[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C(C)C)cc1 ZINC000533147854 889888568 /nfs/dbraw/zinc/88/85/68/889888568.db2.gz AVXODBIDIHTEOK-UHFFFAOYSA-N 1 2 386.517 3.641 20 30 GHEDLO CC(C)[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)C[C@](C)(c2ccc(F)cc2)C1=O ZINC000811738348 889935180 /nfs/dbraw/zinc/93/51/80/889935180.db2.gz YIURWRROZCFUFO-HSZRJFAPSA-N 1 2 393.462 3.582 20 30 GHEDLO CC(C)[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)C[C@](C)(c2ccc(F)cc2)C1=O ZINC000811738348 889935188 /nfs/dbraw/zinc/93/51/88/889935188.db2.gz YIURWRROZCFUFO-HSZRJFAPSA-N 1 2 393.462 3.582 20 30 GHEDLO C=CCn1c(=S)n(CN2CCn3c[nH+]cc3C2)nc1-c1ccc(Cl)cc1 ZINC000811787584 889999740 /nfs/dbraw/zinc/99/97/40/889999740.db2.gz PWZBNDJITTTWAZ-UHFFFAOYSA-N 1 2 386.912 3.590 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCN(C)c2ccccc2C1 ZINC000533277146 890151711 /nfs/dbraw/zinc/15/17/11/890151711.db2.gz VUJYFSMSPZUFDV-KRWDZBQOSA-N 1 2 394.544 3.829 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCN(C)c2ccccc2C1 ZINC000533277146 890151724 /nfs/dbraw/zinc/15/17/24/890151724.db2.gz VUJYFSMSPZUFDV-KRWDZBQOSA-N 1 2 394.544 3.829 20 30 GHEDLO COc1ccc(C[N@@H+]2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)cc1C#N ZINC000533539516 890801555 /nfs/dbraw/zinc/80/15/55/890801555.db2.gz RHCCHGATRCQXQO-IBGZPJMESA-N 1 2 389.455 3.707 20 30 GHEDLO COc1ccc(C[N@H+]2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)cc1C#N ZINC000533539516 890801568 /nfs/dbraw/zinc/80/15/68/890801568.db2.gz RHCCHGATRCQXQO-IBGZPJMESA-N 1 2 389.455 3.707 20 30 GHEDLO C[C@@H](O[NH+]=C(N)Cc1ccc(Cl)cc1)C(=O)Nc1ccccc1OC(F)F ZINC000106067285 891245274 /nfs/dbraw/zinc/24/52/74/891245274.db2.gz XFGPNSWHSSCVLX-LLVKDONJSA-N 1 2 397.809 3.800 20 30 GHEDLO CO[C@@]1(C(F)(F)F)CCC[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000614925034 891604044 /nfs/dbraw/zinc/60/40/44/891604044.db2.gz SDHFUKVRUSQCLC-IBGZPJMESA-N 1 2 397.441 3.593 20 30 GHEDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000614925034 891604055 /nfs/dbraw/zinc/60/40/55/891604055.db2.gz SDHFUKVRUSQCLC-IBGZPJMESA-N 1 2 397.441 3.593 20 30 GHEDLO C=CCn1c(=S)n(C[N@@H+]2CCC[C@H](c3ccccc3)C2)nc1-c1cnccn1 ZINC000814225953 892418236 /nfs/dbraw/zinc/41/82/36/892418236.db2.gz MLLNKQTWNUKSAC-SFHVURJKSA-N 1 2 392.532 3.894 20 30 GHEDLO C=CCn1c(=S)n(C[N@H+]2CCC[C@H](c3ccccc3)C2)nc1-c1cnccn1 ZINC000814225953 892418241 /nfs/dbraw/zinc/41/82/41/892418241.db2.gz MLLNKQTWNUKSAC-SFHVURJKSA-N 1 2 392.532 3.894 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](Cc2nc(C)no2)C1 ZINC000933580840 893087731 /nfs/dbraw/zinc/08/77/31/893087731.db2.gz OCFUQXBQWBAFIL-MRXNPFEDSA-N 1 2 386.521 3.549 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](Cc2nc(C)no2)C1 ZINC000933580840 893087752 /nfs/dbraw/zinc/08/77/52/893087752.db2.gz OCFUQXBQWBAFIL-MRXNPFEDSA-N 1 2 386.521 3.549 20 30 GHEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cnc(C#N)c(Cl)c2)CC1 ZINC000455793828 893284395 /nfs/dbraw/zinc/28/43/95/893284395.db2.gz SHYNNFQCIFJMPC-GFCCVEGCSA-N 1 2 375.885 3.579 20 30 GHEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(C(=O)c2ccccc2Cl)CC1 ZINC000934425104 893632144 /nfs/dbraw/zinc/63/21/44/893632144.db2.gz JCGWICASKOMSPK-YCRPNKLZSA-N 1 2 389.927 3.678 20 30 GHEDLO N#Cc1cnc(Cl)c(C[NH2+][C@@H]2CCOc3c(Br)cccc32)c1 ZINC000877498489 893647152 /nfs/dbraw/zinc/64/71/52/893647152.db2.gz PYWRSMCQRWYYGC-CQSZACIVSA-N 1 2 378.657 3.983 20 30 GHEDLO COc1ccc([C@@H]2C[N@H+](Cc3ccc(OC)c(OCCCC#N)c3)CCO2)cc1 ZINC000877757574 893795868 /nfs/dbraw/zinc/79/58/68/893795868.db2.gz NVVRBHBGLOEKAV-QHCPKHFHSA-N 1 2 396.487 3.960 20 30 GHEDLO COc1ccc([C@@H]2C[N@@H+](Cc3ccc(OC)c(OCCCC#N)c3)CCO2)cc1 ZINC000877757574 893795873 /nfs/dbraw/zinc/79/58/73/893795873.db2.gz NVVRBHBGLOEKAV-QHCPKHFHSA-N 1 2 396.487 3.960 20 30 GHEDLO CCOC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000459714692 894137602 /nfs/dbraw/zinc/13/76/02/894137602.db2.gz OOYATOQWUNGMHX-IAGOWNOFSA-N 1 2 375.538 3.910 20 30 GHEDLO CCOC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000459714692 894137606 /nfs/dbraw/zinc/13/76/06/894137606.db2.gz OOYATOQWUNGMHX-IAGOWNOFSA-N 1 2 375.538 3.910 20 30 GHEDLO C=CCOC(=O)[C@@H](Cc1ccc(OC(C)(C)C)cc1)[NH2+][C@@H]1CCCOCC1 ZINC001170801198 894168976 /nfs/dbraw/zinc/16/89/76/894168976.db2.gz QKUCOJYUISBMGE-UYAOXDASSA-N 1 2 375.509 3.663 20 30 GHEDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)c1O ZINC000748049960 894597652 /nfs/dbraw/zinc/59/76/52/894597652.db2.gz YNJMIAYNSFMHES-UHFFFAOYSA-N 1 2 383.879 3.832 20 30 GHEDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)c1O ZINC000748049960 894597659 /nfs/dbraw/zinc/59/76/59/894597659.db2.gz YNJMIAYNSFMHES-UHFFFAOYSA-N 1 2 383.879 3.832 20 30 GHEDLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)Nc2cc(C)n(CCC#N)n2)CC1 ZINC000879078376 894823900 /nfs/dbraw/zinc/82/39/00/894823900.db2.gz PWLDOALKLMMTBW-LJQANCHMSA-N 1 2 398.486 3.545 20 30 GHEDLO CCn1nc(C)c(C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)c1C ZINC000879118575 894847221 /nfs/dbraw/zinc/84/72/21/894847221.db2.gz OZHARQOZKDBYBT-IBGZPJMESA-N 1 2 381.524 3.595 20 30 GHEDLO CCn1nc(C)c(C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)c1C ZINC000879118575 894847229 /nfs/dbraw/zinc/84/72/29/894847229.db2.gz OZHARQOZKDBYBT-IBGZPJMESA-N 1 2 381.524 3.595 20 30 GHEDLO CC(C)O[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000564562846 895083795 /nfs/dbraw/zinc/08/37/95/895083795.db2.gz DTIVQPRXIBYANP-LSDHHAIUSA-N 1 2 375.538 3.715 20 30 GHEDLO CC(C)O[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000564562846 895083816 /nfs/dbraw/zinc/08/38/16/895083816.db2.gz DTIVQPRXIBYANP-LSDHHAIUSA-N 1 2 375.538 3.715 20 30 GHEDLO Brc1ccc(C=NOCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000817378525 895553289 /nfs/dbraw/zinc/55/32/89/895553289.db2.gz YHMXERQOLLYYCJ-UHFFFAOYSA-N 1 2 389.293 3.832 20 30 GHEDLO N#Cc1ccc(CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)s1 ZINC000565475221 895661900 /nfs/dbraw/zinc/66/19/00/895661900.db2.gz YPSICYUVUCJDEO-RTBURBONSA-N 1 2 377.473 3.544 20 30 GHEDLO C#CCC1(O)CC[NH+](CC(=O)Nc2ccccc2Oc2ccc(C)cc2)CC1 ZINC000880482053 895724927 /nfs/dbraw/zinc/72/49/27/895724927.db2.gz WGGSSFDXUCUMBX-UHFFFAOYSA-N 1 2 378.472 3.576 20 30 GHEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@@H]2CCOC3(CCCCC3)C2)CC1=O ZINC000128456085 895730078 /nfs/dbraw/zinc/73/00/78/895730078.db2.gz MLUXCGYUARVAKD-MRXNPFEDSA-N 1 2 394.519 3.528 20 30 GHEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(NCC(F)(F)c2ccccn2)[nH+]1 ZINC001170906506 896214378 /nfs/dbraw/zinc/21/43/78/896214378.db2.gz AHLUWENROVQMSG-BBZDMTTGSA-N 1 2 380.464 3.870 20 30 GHEDLO Cc1cccn2c(/C=C/C(=O)c3ccc(S(=O)(=O)CC(F)F)cc3)c[nH+]c12 ZINC000132750365 897893490 /nfs/dbraw/zinc/89/34/90/897893490.db2.gz GWBGTXMLDZGXSZ-RMKNXTFCSA-N 1 2 390.411 3.578 20 30 GHEDLO N#CCCN(C(=O)C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1)c1cccc(Cl)c1 ZINC000569412841 898636487 /nfs/dbraw/zinc/63/64/87/898636487.db2.gz MMRBMPJAWGYAKG-QUCCMNQESA-N 1 2 387.911 3.620 20 30 GHEDLO N#CCCN(C(=O)C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1)c1cccc(Cl)c1 ZINC000569412841 898636495 /nfs/dbraw/zinc/63/64/95/898636495.db2.gz MMRBMPJAWGYAKG-QUCCMNQESA-N 1 2 387.911 3.620 20 30 GHEDLO Cc1ccc2[nH+]c(CSCC(=O)Nc3ncccc3OCCCC#N)cn2c1 ZINC000114685404 899106053 /nfs/dbraw/zinc/10/60/53/899106053.db2.gz BYYFYGREZJKKRK-UHFFFAOYSA-N 1 2 395.488 3.592 20 30 GHEDLO Cc1cc(N2CCN(C(=O)c3ccc(C(C)(C)C#N)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000332409580 899645970 /nfs/dbraw/zinc/64/59/70/899645970.db2.gz ZQDBKNWGJQHTOC-UHFFFAOYSA-N 1 2 391.519 3.672 20 30 GHEDLO CC[C@H](C)CN(C)c1ccc(F)cc1C[NH+]1CCC(C#N)(C(=O)OC)CC1 ZINC000824866775 899844582 /nfs/dbraw/zinc/84/45/82/899844582.db2.gz HUBLLQHFQLDPKO-INIZCTEOSA-N 1 2 375.488 3.587 20 30 GHEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CC[C@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001143724558 900444064 /nfs/dbraw/zinc/44/40/64/900444064.db2.gz QEQLDEABQFTYNB-IOMROCGXSA-N 1 2 383.879 3.808 20 30 GHEDLO N#Cc1cccc(Cl)c1C[N@H+]1CC[C@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001143724558 900444069 /nfs/dbraw/zinc/44/40/69/900444069.db2.gz QEQLDEABQFTYNB-IOMROCGXSA-N 1 2 383.879 3.808 20 30 GHEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000573407766 900501257 /nfs/dbraw/zinc/50/12/57/900501257.db2.gz ZRRSXIHPOWMMRH-UHFFFAOYSA-N 1 2 399.857 3.580 20 30 GHEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000573407766 900501268 /nfs/dbraw/zinc/50/12/68/900501268.db2.gz ZRRSXIHPOWMMRH-UHFFFAOYSA-N 1 2 399.857 3.580 20 30 GHEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000045490715 900739909 /nfs/dbraw/zinc/73/99/09/900739909.db2.gz GZMRVMDUZDKMQY-UHFFFAOYSA-N 1 2 377.492 3.675 20 30 GHEDLO COCCN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000844354253 900751163 /nfs/dbraw/zinc/75/11/63/900751163.db2.gz JBRJTHFVXJTWPP-UHFFFAOYSA-N 1 2 391.487 3.545 20 30 GHEDLO C[C@H](CC(=O)O[C@@H](C)C(=O)/C=C1\N(C)c2ccccc2C1(C)C)n1cc[nH+]c1 ZINC000845279446 902005082 /nfs/dbraw/zinc/00/50/82/902005082.db2.gz WNPLHTPNLGLYHD-ZHWGIVQOSA-N 1 2 381.476 3.647 20 30 GHEDLO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H](Cc1ccc(O)cc1)C(=O)OC(C)(C)C ZINC001171183261 902176008 /nfs/dbraw/zinc/17/60/08/902176008.db2.gz CADRNNOIOZNPDF-KKSFZXQISA-N 1 2 380.488 3.737 20 30 GHEDLO N#CC[C@@H]1CCCN(C(=O)[C@H](c2cccc(Br)c2)[NH+]2CCCC2)C1 ZINC001147059866 903678813 /nfs/dbraw/zinc/67/88/13/903678813.db2.gz CDULMFIQGPDGHV-YJBOKZPZSA-N 1 2 390.325 3.738 20 30 GHEDLO C#Cc1ccc(NC(=O)CC[N@@H+]2CCc3nc[nH]c3[C@H]2c2ccc(F)cc2)cc1 ZINC001175175429 907419929 /nfs/dbraw/zinc/41/99/29/907419929.db2.gz SUEAZIJWWZOVLV-HSZRJFAPSA-N 1 2 388.446 3.506 20 30 GHEDLO C#Cc1ccc(NC(=O)CC[N@H+]2CCc3nc[nH]c3[C@H]2c2ccc(F)cc2)cc1 ZINC001175175429 907419937 /nfs/dbraw/zinc/41/99/37/907419937.db2.gz SUEAZIJWWZOVLV-HSZRJFAPSA-N 1 2 388.446 3.506 20 30 GHEDLO N#Cc1cc(CNc2[nH]c3ccc(I)cc3[nH+]2)cs1 ZINC001179222008 909420288 /nfs/dbraw/zinc/42/02/88/909420288.db2.gz CIHOKZFAGKLZLY-UHFFFAOYSA-N 1 2 380.214 3.713 20 30 GHEDLO N#Cc1cc(CNc2[nH]c3cc(I)ccc3[nH+]2)cs1 ZINC001179222008 909420295 /nfs/dbraw/zinc/42/02/95/909420295.db2.gz CIHOKZFAGKLZLY-UHFFFAOYSA-N 1 2 380.214 3.713 20 30 GHEDLO C[C@H]1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000268420304 909870973 /nfs/dbraw/zinc/87/09/73/909870973.db2.gz VVTRUGHALFPXQG-LRDDRELGSA-N 1 2 377.370 3.889 20 30 GHEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)Nc1cccc(OCCCC#N)c1 ZINC000269277340 910202427 /nfs/dbraw/zinc/20/24/27/910202427.db2.gz OKKHAPHDKWTQMZ-UHFFFAOYSA-N 1 2 395.463 3.553 20 30 GHEDLO COc1cccc([C@@H](C)N2CC[NH+](Cc3ccc(O[C@H](C)C#N)cc3)CC2)c1 ZINC000093078616 912048045 /nfs/dbraw/zinc/04/80/45/912048045.db2.gz WCIMGDUQTANTDL-RTBURBONSA-N 1 2 379.504 3.865 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000796384662 915357573 /nfs/dbraw/zinc/35/75/73/915357573.db2.gz PUSZYSZZOSSULU-SFHVURJKSA-N 1 2 397.519 3.777 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000796384662 915357590 /nfs/dbraw/zinc/35/75/90/915357590.db2.gz PUSZYSZZOSSULU-SFHVURJKSA-N 1 2 397.519 3.777 20 30 GHEDLO C[N@@H+]1[C@@H](C(=O)Nc2sc3c(c2C#N)CCC3)C[C@]2(C)COc3ccccc3[C@H]12 ZINC001187623846 915391891 /nfs/dbraw/zinc/39/18/91/915391891.db2.gz JKSIHGCKGIEJDP-GTCCEBARSA-N 1 2 393.512 3.891 20 30 GHEDLO C[N@H+]1[C@@H](C(=O)Nc2sc3c(c2C#N)CCC3)C[C@]2(C)COc3ccccc3[C@H]12 ZINC001187623846 915391906 /nfs/dbraw/zinc/39/19/06/915391906.db2.gz JKSIHGCKGIEJDP-GTCCEBARSA-N 1 2 393.512 3.891 20 30 GHEDLO N#Cc1ccc(-c2ccc(C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)cc2)cc1F ZINC001188712208 916143324 /nfs/dbraw/zinc/14/33/24/916143324.db2.gz XVDWNJMWYPSFBT-HXUWFJFHSA-N 1 2 386.430 3.768 20 30 GHEDLO C[Si](C)(C)C#Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)cc1 ZINC001189169443 916466930 /nfs/dbraw/zinc/46/69/30/916466930.db2.gz FTRXMVCJUYHPRF-IBGZPJMESA-N 1 2 390.550 3.861 20 30 GHEDLO O=C(c1cc(F)c(F)c(C(F)(F)F)c1)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001189350736 916590722 /nfs/dbraw/zinc/59/07/22/916590722.db2.gz YNIWRZNFUMKWLF-ZDUSSCGKSA-N 1 2 398.322 3.929 20 30 GHEDLO Cc1ccccc1[C@@H](O)C1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000796417677 916801732 /nfs/dbraw/zinc/80/17/32/916801732.db2.gz MKKBERVIMAIQJB-QFIPXVFZSA-N 1 2 397.906 3.904 20 30 GHEDLO COc1cc(C#N)ccc1C(=O)N1CC[NH+](Cc2ccc(C(C)(C)C)cc2)CC1 ZINC001192255661 918541740 /nfs/dbraw/zinc/54/17/40/918541740.db2.gz FZPFEZXXSFRAAN-UHFFFAOYSA-N 1 2 391.515 3.822 20 30 GHEDLO COC(=O)C[N@H+](Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1)C(C)C ZINC000116877824 919522655 /nfs/dbraw/zinc/52/26/55/919522655.db2.gz LREUPFMWDOSRSD-UHFFFAOYSA-N 1 2 382.460 3.529 20 30 GHEDLO COC(=O)C[N@@H+](Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1)C(C)C ZINC000116877824 919522659 /nfs/dbraw/zinc/52/26/59/919522659.db2.gz LREUPFMWDOSRSD-UHFFFAOYSA-N 1 2 382.460 3.529 20 30 GHEDLO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000297817788 919817234 /nfs/dbraw/zinc/81/72/34/919817234.db2.gz IXEUHVDAKIEWRM-GOSISDBHSA-N 1 2 399.965 3.701 20 30 GHEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000297817788 919817245 /nfs/dbraw/zinc/81/72/45/919817245.db2.gz IXEUHVDAKIEWRM-GOSISDBHSA-N 1 2 399.965 3.701 20 30 GHEDLO C/C(=C\C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C[NH+]1CCOCC1 ZINC000900191797 919990357 /nfs/dbraw/zinc/99/03/57/919990357.db2.gz HZTOTXCSAGCTRG-LXKWBGADSA-N 1 2 375.472 3.559 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000368792949 922878554 /nfs/dbraw/zinc/87/85/54/922878554.db2.gz REIDVIKMJUOSGD-WMZOPIPTSA-N 1 2 387.549 3.910 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000368792949 922878571 /nfs/dbraw/zinc/87/85/71/922878571.db2.gz REIDVIKMJUOSGD-WMZOPIPTSA-N 1 2 387.549 3.910 20 30 GHEDLO C#CC[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC)Cc1ccccc1 ZINC000796638087 926383267 /nfs/dbraw/zinc/38/32/67/926383267.db2.gz FQOGWCMDKXEEFD-JOCHJYFZSA-N 1 2 392.499 3.503 20 30 GHEDLO C#CC[N@H+](CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC)Cc1ccccc1 ZINC000796638087 926383273 /nfs/dbraw/zinc/38/32/73/926383273.db2.gz FQOGWCMDKXEEFD-JOCHJYFZSA-N 1 2 392.499 3.503 20 30 GHEDLO CC(C)Oc1ccc(NC(=S)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000726440979 926664337 /nfs/dbraw/zinc/66/43/37/926664337.db2.gz IWAPZNLKRMJWHM-UHFFFAOYSA-N 1 2 394.544 3.860 20 30 GHEDLO C=CCn1c(-c2cccc(C)c2)nn(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1=S ZINC000749799251 927280139 /nfs/dbraw/zinc/28/01/39/927280139.db2.gz VPDZOWBOPANXQW-MOPGFXCFSA-N 1 2 384.549 3.891 20 30 GHEDLO C=CCn1c(-c2cccc(C)c2)nn(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1=S ZINC000749799251 927280150 /nfs/dbraw/zinc/28/01/50/927280150.db2.gz VPDZOWBOPANXQW-MOPGFXCFSA-N 1 2 384.549 3.891 20 30 GHEDLO C#CCC[NH+]1CCN(C(=O)[C@H](C)Sc2ccnc3cc(Cl)ccc32)CC1 ZINC000749937365 927359269 /nfs/dbraw/zinc/35/92/69/927359269.db2.gz LIRBQECLRHBVGZ-HNNXBMFYSA-N 1 2 387.936 3.536 20 30 GHEDLO C=CCn1c(COc2ccccc2F)nn(C[NH+]2C[C@H](C)[C@@H](C)C2)c1=S ZINC000751930924 928488012 /nfs/dbraw/zinc/48/80/12/928488012.db2.gz VSYOSURBWSTGLC-GJZGRUSLSA-N 1 2 376.501 3.863 20 30 GHEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)CC1 ZINC000780536331 930542991 /nfs/dbraw/zinc/54/29/91/930542991.db2.gz PCXGPYVGGZBEPI-UHFFFAOYSA-N 1 2 392.377 3.626 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+]2CC[C@@H](c3ccc(C)cc3)C2)c1=S ZINC000784024702 931758447 /nfs/dbraw/zinc/75/84/47/931758447.db2.gz HASYPSJDOAMFTF-GOSISDBHSA-N 1 2 392.532 3.813 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+]2CC[C@@H](c3ccc(C)cc3)C2)c1=S ZINC000784024702 931758454 /nfs/dbraw/zinc/75/84/54/931758454.db2.gz HASYPSJDOAMFTF-GOSISDBHSA-N 1 2 392.532 3.813 20 30 GHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)O[C@H](C)COc1cccc(C#N)c1 ZINC000796709282 932038527 /nfs/dbraw/zinc/03/85/27/932038527.db2.gz CJGMAADNBKXLJX-GFCCVEGCSA-N 1 2 385.370 3.505 20 30 GHEDLO C=C(C)Cn1c(-c2sccc2C)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000558963058 932341075 /nfs/dbraw/zinc/34/10/75/932341075.db2.gz MBLKGIVUJAWKGN-UHFFFAOYSA-N 1 2 380.521 3.613 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(c2ncco2)CC1 ZINC000931446770 934563825 /nfs/dbraw/zinc/56/38/25/934563825.db2.gz YFQRHFLXANHSSK-HNNXBMFYSA-N 1 2 384.505 3.744 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@H](Cc2nccs2)C1 ZINC001121510539 934679631 /nfs/dbraw/zinc/67/96/31/934679631.db2.gz YDMZBEFANXQIAL-IRXDYDNUSA-N 1 2 386.569 3.537 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@H](Cc2nccs2)C1 ZINC001121510539 934679637 /nfs/dbraw/zinc/67/96/37/934679637.db2.gz YDMZBEFANXQIAL-IRXDYDNUSA-N 1 2 386.569 3.537 20 30 GHEDLO C=CCn1c([C@@H]2C[C@@H]2OCCCC)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001121566299 934699750 /nfs/dbraw/zinc/69/97/50/934699750.db2.gz REEMDFJLYAAXAJ-MOPGFXCFSA-N 1 2 396.539 3.613 20 30 GHEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC2(C1)CCOCC2 ZINC001121581056 934704926 /nfs/dbraw/zinc/70/49/26/934704926.db2.gz GQVKPNDLVBQDGE-LJQANCHMSA-N 1 2 395.551 3.664 20 30 GHEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC2(C1)CCOCC2 ZINC001121581056 934704932 /nfs/dbraw/zinc/70/49/32/934704932.db2.gz GQVKPNDLVBQDGE-LJQANCHMSA-N 1 2 395.551 3.664 20 30 GHEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@@H](OC(C)C)C1 ZINC001121581144 934705225 /nfs/dbraw/zinc/70/52/25/934705225.db2.gz IFFKAISQUMMAIQ-UYAOXDASSA-N 1 2 383.540 3.661 20 30 GHEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@@H](OC(C)C)C1 ZINC001121581144 934705228 /nfs/dbraw/zinc/70/52/28/934705228.db2.gz IFFKAISQUMMAIQ-UYAOXDASSA-N 1 2 383.540 3.661 20 30 GHEDLO CCn1c([C@@H](C)CCC#N)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001121870174 934781694 /nfs/dbraw/zinc/78/16/94/934781694.db2.gz PUEYCOZATQKKCT-INIZCTEOSA-N 1 2 386.931 3.681 20 30 GHEDLO C[N@@H+]1CCCC[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1Cc1ccccc1 ZINC001122082094 934817433 /nfs/dbraw/zinc/81/74/33/934817433.db2.gz XHIVMSUKXRJXBZ-LJQANCHMSA-N 1 2 378.524 3.613 20 30 GHEDLO C[N@H+]1CCCC[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1Cc1ccccc1 ZINC001122082094 934817435 /nfs/dbraw/zinc/81/74/35/934817435.db2.gz XHIVMSUKXRJXBZ-LJQANCHMSA-N 1 2 378.524 3.613 20 30 GHEDLO CC(C)c1ccc(-c2noc(C[N@@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)n2)cc1 ZINC000562379130 934842566 /nfs/dbraw/zinc/84/25/66/934842566.db2.gz MBJQNAAAGHPNKT-IBGZPJMESA-N 1 2 389.459 3.780 20 30 GHEDLO CC(C)c1ccc(-c2noc(C[N@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)n2)cc1 ZINC000562379130 934842570 /nfs/dbraw/zinc/84/25/70/934842570.db2.gz MBJQNAAAGHPNKT-IBGZPJMESA-N 1 2 389.459 3.780 20 30 GHEDLO C=C(C)Cn1c(Nc2cnn(C3CCCC3)c2)nnc1[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001122543754 934895399 /nfs/dbraw/zinc/89/53/99/934895399.db2.gz OGYIJTAPKCMZDM-IBGZPJMESA-N 1 2 399.543 3.691 20 30 GHEDLO C=C(C)Cn1c(Nc2cnn(C3CCCC3)c2)nnc1[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001122543754 934895403 /nfs/dbraw/zinc/89/54/03/934895403.db2.gz OGYIJTAPKCMZDM-IBGZPJMESA-N 1 2 399.543 3.691 20 30 GHEDLO CC(C)C[C@H]1CCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CC2CC2)C1 ZINC001123633587 935242544 /nfs/dbraw/zinc/24/25/44/935242544.db2.gz UUIKHIXAHOXJHY-LJQANCHMSA-N 1 2 384.572 3.654 20 30 GHEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001124890337 935486214 /nfs/dbraw/zinc/48/62/14/935486214.db2.gz OVIQZASSELYKQE-UHFFFAOYSA-N 1 2 389.415 3.705 20 30 GHEDLO Cc1ccc(O[C@@H]2C[C@@H]3C[N@H+]([C@@H](C)Cc4cccc(C#N)c4)CCN3C2)cc1 ZINC001171221537 1014961834 /nfs/dbraw/zinc/96/18/34/1014961834.db2.gz OSIAYQAEKYNCGA-BPUDTRNYSA-N 1 2 375.516 3.635 20 30 GHEDLO Cc1ccc(O[C@@H]2C[C@@H]3C[N@@H+]([C@@H](C)Cc4cccc(C#N)c4)CCN3C2)cc1 ZINC001171221537 1014961838 /nfs/dbraw/zinc/96/18/38/1014961838.db2.gz OSIAYQAEKYNCGA-BPUDTRNYSA-N 1 2 375.516 3.635 20 30 GHEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H]3CC(=O)c3cccs3)o2)c1 ZINC000468288038 1015549523 /nfs/dbraw/zinc/54/95/23/1015549523.db2.gz SERVYVIVZBCFRC-MRXNPFEDSA-N 1 2 378.457 3.907 20 30 GHEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H]3CC(=O)c3cccs3)o2)c1 ZINC000468288038 1015549527 /nfs/dbraw/zinc/54/95/27/1015549527.db2.gz SERVYVIVZBCFRC-MRXNPFEDSA-N 1 2 378.457 3.907 20 30 GHEDLO CCOC(=O)[C@@H]1CCCc2sc(NC(=O)c3cccc4[nH+]ccn43)c(C#N)c21 ZINC001154517140 1032157736 /nfs/dbraw/zinc/15/77/36/1032157736.db2.gz CLUYVPHDFDJERW-GFCCVEGCSA-N 1 2 394.456 3.503 20 30 GHEDLO C[C@H]([NH2+][C@H](c1ncccn1)C1CC1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000932360924 1018224171 /nfs/dbraw/zinc/22/41/71/1018224171.db2.gz IMBBDLQNNCRUAX-UGSOOPFHSA-N 1 2 395.532 3.747 20 30 GHEDLO Cc1nc(C#N)c(Nc2cccc(C[NH+]3CCN(C(=O)OC(C)(C)C)CC3)c2)o1 ZINC001204317151 1032760776 /nfs/dbraw/zinc/76/07/76/1032760776.db2.gz SWKCSVAKQCHYND-UHFFFAOYSA-N 1 2 397.479 3.651 20 30 GHEDLO C=CCc1cc(OC)c(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(OC)c1 ZINC001228427286 1032930799 /nfs/dbraw/zinc/93/07/99/1032930799.db2.gz GMFNMMVZNCKTJS-HXUWFJFHSA-N 1 2 383.488 3.712 20 30 GHEDLO C=CCc1cc(OC)c(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(OC)c1 ZINC001228427286 1032930803 /nfs/dbraw/zinc/93/08/03/1032930803.db2.gz GMFNMMVZNCKTJS-HXUWFJFHSA-N 1 2 383.488 3.712 20 30 GHEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000096969251 1021148047 /nfs/dbraw/zinc/14/80/47/1021148047.db2.gz JBNIHTDLIBQPQA-SFHVURJKSA-N 1 2 377.488 3.790 20 30 GHEDLO N#Cc1cccc(C[N@H+]2Cc3cncn3C[C@@H](COc3cccnc3)C2)c1Cl ZINC001140813888 1022611773 /nfs/dbraw/zinc/61/17/73/1022611773.db2.gz UWDUZOQGAMSENE-INIZCTEOSA-N 1 2 393.878 3.514 20 30 GHEDLO N#Cc1cccc(C[N@@H+]2Cc3cncn3C[C@@H](COc3cccnc3)C2)c1Cl ZINC001140813888 1022611774 /nfs/dbraw/zinc/61/17/74/1022611774.db2.gz UWDUZOQGAMSENE-INIZCTEOSA-N 1 2 393.878 3.514 20 30 GHEDLO Cc1nc(NCc2cccc(C(=O)OCCOc3cccc(C#N)c3)c2)cc[nH+]1 ZINC000754956448 1022983368 /nfs/dbraw/zinc/98/33/68/1022983368.db2.gz NIPIRKOZGWHDJA-UHFFFAOYSA-N 1 2 388.427 3.505 20 30 GHEDLO CC(C)c1[nH+]c(C=Nn2cnc3sc4c(c3c2=O)CCCC4)c2ccccn21 ZINC000755488485 1023269313 /nfs/dbraw/zinc/26/93/13/1023269313.db2.gz PVNYNWKDJOGSSW-UHFFFAOYSA-N 1 2 391.500 3.990 20 30 GHEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cc3cc(OC)ccc3nc2Cl)C1 ZINC001141067051 1023416951 /nfs/dbraw/zinc/41/69/51/1023416951.db2.gz PULBUZJZMFVGJW-MRXNPFEDSA-N 1 2 389.883 3.773 20 30 GHEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc3cc(OC)ccc3nc2Cl)C1 ZINC001141067051 1023416956 /nfs/dbraw/zinc/41/69/56/1023416956.db2.gz PULBUZJZMFVGJW-MRXNPFEDSA-N 1 2 389.883 3.773 20 30 GHEDLO C=CCn1c2nn(C[N@H+]3CCC(CC)(CC)C3)c(=S)n2c2ccccc2c1=O ZINC000755930941 1023440661 /nfs/dbraw/zinc/44/06/61/1023440661.db2.gz LJDCMZCOFZJACO-UHFFFAOYSA-N 1 2 397.548 3.836 20 30 GHEDLO C=CCn1c2nn(C[N@@H+]3CCC(CC)(CC)C3)c(=S)n2c2ccccc2c1=O ZINC000755930941 1023440666 /nfs/dbraw/zinc/44/06/66/1023440666.db2.gz LJDCMZCOFZJACO-UHFFFAOYSA-N 1 2 397.548 3.836 20 30 GHEDLO N#Cc1cnn(-c2ccc(Br)cc2)c1Nc1ccn2cc[nH+]c2c1 ZINC001204965901 1033185555 /nfs/dbraw/zinc/18/55/55/1033185555.db2.gz JQJZQFKYCVMFSX-UHFFFAOYSA-N 1 2 379.221 3.898 20 30 GHEDLO C=CCCOCCNc1[nH+]cnc2c1cnn2-c1cccc(Br)c1 ZINC001162988034 1025998710 /nfs/dbraw/zinc/99/87/10/1025998710.db2.gz SDBKCRATHQBAAS-UHFFFAOYSA-N 1 2 388.269 3.583 20 30 GHEDLO N#Cc1ccc(Br)c(CN2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)c1 ZINC001141664680 1026184223 /nfs/dbraw/zinc/18/42/23/1026184223.db2.gz WEARERFGZVIUDL-MRXNPFEDSA-N 1 2 384.268 3.626 20 30 GHEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cccc(Br)c1F)C2 ZINC001139532691 1026390841 /nfs/dbraw/zinc/39/08/41/1026390841.db2.gz MBRMDYHQICYPHX-MAUKXSAKSA-N 1 2 384.289 3.914 20 30 GHEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cccc(Br)c1F)C2 ZINC001139532691 1026390855 /nfs/dbraw/zinc/39/08/55/1026390855.db2.gz MBRMDYHQICYPHX-MAUKXSAKSA-N 1 2 384.289 3.914 20 30 GHEDLO COc1ccc(C(=O)NC2CC[NH+](Cc3cccc(Cl)c3C#N)CC2)cc1 ZINC001139690486 1026542174 /nfs/dbraw/zinc/54/21/74/1026542174.db2.gz CAMDLQNEKSOSLG-UHFFFAOYSA-N 1 2 383.879 3.615 20 30 GHEDLO N#Cc1c(Cl)cccc1C[NH+]1CCC2(CC1)NC(=O)C[C@@H]2c1ccccc1 ZINC001139689825 1026542319 /nfs/dbraw/zinc/54/23/19/1026542319.db2.gz VFUXXWXQJCGDMS-LJQANCHMSA-N 1 2 379.891 3.850 20 30 GHEDLO N#Cc1cc(F)cc(C[N@@H+]2CCO[C@]3(CCC[C@H]3COCc3ccccn3)C2)c1 ZINC001139876502 1026691234 /nfs/dbraw/zinc/69/12/34/1026691234.db2.gz AOHARRGZKFTVOK-NZQKXSOJSA-N 1 2 395.478 3.680 20 30 GHEDLO N#Cc1cc(F)cc(C[N@H+]2CCO[C@]3(CCC[C@H]3COCc3ccccn3)C2)c1 ZINC001139876502 1026691247 /nfs/dbraw/zinc/69/12/47/1026691247.db2.gz AOHARRGZKFTVOK-NZQKXSOJSA-N 1 2 395.478 3.680 20 30 GHEDLO COC(=O)/C=C/c1cc(C)c[nH+]c1N1CCC(Cc2ccc(C#N)cc2)CC1 ZINC001166767267 1027077859 /nfs/dbraw/zinc/07/78/59/1027077859.db2.gz VNGHGBTVEPOYTG-BQYQJAHWSA-N 1 2 375.472 3.907 20 30 GHEDLO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1nc(C(F)(F)F)cs1)C2 ZINC001141758246 1027133176 /nfs/dbraw/zinc/13/31/76/1027133176.db2.gz CVFADAMZHTUBSZ-ZBFHGGJFSA-N 1 2 376.444 3.736 20 30 GHEDLO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1nc(C(F)(F)F)cs1)C2 ZINC001141758246 1027133186 /nfs/dbraw/zinc/13/31/86/1027133186.db2.gz CVFADAMZHTUBSZ-ZBFHGGJFSA-N 1 2 376.444 3.736 20 30 GHEDLO N#C[C@@H]1C[NH2+]CCN1Cc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC001210120686 1027346303 /nfs/dbraw/zinc/34/63/03/1027346303.db2.gz HEOVVKBQNZDHRN-CQSZACIVSA-N 1 2 396.800 3.843 20 30 GHEDLO N#Cc1ccc(CN2CCO[C@H](c3[nH+]cn4c3cccc4Br)C2)cc1 ZINC001203900286 1027692979 /nfs/dbraw/zinc/69/29/79/1027692979.db2.gz YGKGOXZUSLPLIZ-KRWDZBQOSA-N 1 2 397.276 3.542 20 30 GHEDLO CC(C)(C)OC(=O)N1CCN(c2[nH+]cccc2Nc2cccc(C#N)c2F)CC1 ZINC001216413263 1029631237 /nfs/dbraw/zinc/63/12/37/1029631237.db2.gz KLKJLEHUDYFXHQ-UHFFFAOYSA-N 1 2 397.454 3.893 20 30 GHEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1c(OC)cc(C)cc1OC)CCO2 ZINC001143141837 1029865413 /nfs/dbraw/zinc/86/54/13/1029865413.db2.gz GGNXJZJYSHVLTF-XMSQKQJNSA-N 1 2 375.509 3.586 20 30 GHEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1c(OC)cc(C)cc1OC)CCO2 ZINC001143141837 1029865421 /nfs/dbraw/zinc/86/54/21/1029865421.db2.gz GGNXJZJYSHVLTF-XMSQKQJNSA-N 1 2 375.509 3.586 20 30 GHEDLO CN(C[C@@H]1CCC[N@H+](Cc2c(F)ccc(C#N)c2F)C1)C(=O)OC(C)(C)C ZINC001143165077 1029877243 /nfs/dbraw/zinc/87/72/43/1029877243.db2.gz ULTDPAQKXDGGBP-AWEZNQCLSA-N 1 2 379.451 3.915 20 30 GHEDLO CN(C[C@@H]1CCC[N@@H+](Cc2c(F)ccc(C#N)c2F)C1)C(=O)OC(C)(C)C ZINC001143165077 1029877249 /nfs/dbraw/zinc/87/72/49/1029877249.db2.gz ULTDPAQKXDGGBP-AWEZNQCLSA-N 1 2 379.451 3.915 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@@H]2C[N@H+](Cc3c(F)ccc(C#N)c3F)C[C@@H]21 ZINC001143166601 1029877953 /nfs/dbraw/zinc/87/79/53/1029877953.db2.gz LOJLYOSRMFMCHR-PBHICJAKSA-N 1 2 377.435 3.668 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@@H]2C[N@@H+](Cc3c(F)ccc(C#N)c3F)C[C@@H]21 ZINC001143166601 1029877958 /nfs/dbraw/zinc/87/79/58/1029877958.db2.gz LOJLYOSRMFMCHR-PBHICJAKSA-N 1 2 377.435 3.668 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](Cc3c(F)ccc(C#N)c3F)CC[C@H]21 ZINC001143166986 1029878195 /nfs/dbraw/zinc/87/81/95/1029878195.db2.gz OFCBGHMPEOCOGS-WMLDXEAASA-N 1 2 377.435 3.668 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](Cc3c(F)ccc(C#N)c3F)CC[C@H]21 ZINC001143166986 1029878202 /nfs/dbraw/zinc/87/82/02/1029878202.db2.gz OFCBGHMPEOCOGS-WMLDXEAASA-N 1 2 377.435 3.668 20 30 GHEDLO Cc1ccc(N2CCC[C@H](O/C(=N\O)c3ccccc3Br)C2)[nH+]c1 ZINC001223885876 1030788727 /nfs/dbraw/zinc/78/87/27/1030788727.db2.gz OXNQYYDJVVEGRP-DLFJBECYSA-N 1 2 390.281 3.974 20 30 GHEDLO COc1ccc(OC)c(/C(=N/O)O[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C)c1 ZINC001223889064 1030792188 /nfs/dbraw/zinc/79/21/88/1030792188.db2.gz VNROWVRIAMFNSJ-UIXCTVBOSA-N 1 2 384.476 3.767 20 30 GHEDLO COc1ccc(OC)c(/C(=N/O)O[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)c1 ZINC001223889064 1030792203 /nfs/dbraw/zinc/79/22/03/1030792203.db2.gz VNROWVRIAMFNSJ-UIXCTVBOSA-N 1 2 384.476 3.767 20 30 GHEDLO C=CCc1ccc(O[C@@H]2CC[NH2+][C@@H]2C(=O)OC)c(-c2ccc(O)c(CC=C)c2)c1 ZINC001218346727 1030905318 /nfs/dbraw/zinc/90/53/18/1030905318.db2.gz MFSANRXOEVZWBO-PKTZIBPZSA-N 1 2 393.483 3.799 20 30 GHEDLO N#Cc1ccc(OCCO[C@H]2CCC[N@@H+](Cc3cnc(Cl)s3)C2)cc1 ZINC001224287512 1030955886 /nfs/dbraw/zinc/95/58/86/1030955886.db2.gz YBTZDOVNWDFBMC-INIZCTEOSA-N 1 2 377.897 3.728 20 30 GHEDLO N#Cc1ccc(OCCO[C@H]2CCC[N@H+](Cc3cnc(Cl)s3)C2)cc1 ZINC001224287512 1030955889 /nfs/dbraw/zinc/95/58/89/1030955889.db2.gz YBTZDOVNWDFBMC-INIZCTEOSA-N 1 2 377.897 3.728 20 30 GHEDLO COC(=O)[C@H]1CC[C@@H](Oc2nc(C)c(-c3ccc4[nH+]ccn4c3)cc2C#N)CC1 ZINC001229768160 1033699566 /nfs/dbraw/zinc/69/95/66/1033699566.db2.gz KHSGLFPVVCAQMT-RHNCMZPLSA-N 1 2 390.443 3.687 20 30 GHEDLO C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2nc(=O)[nH]c(CN3CCCC3=[NH2+])c2Cl)O1 ZINC001230091755 1033895802 /nfs/dbraw/zinc/89/58/02/1033895802.db2.gz MPHNAXGKQFPYRZ-ORAYPTAESA-N 1 2 394.903 3.690 20 30 GHEDLO COc1ccc(C[NH+]2CCOCC2)cc1-c1ccccc1C1(C#N)CCOCC1 ZINC001206539222 1033899047 /nfs/dbraw/zinc/89/90/47/1033899047.db2.gz GCBSIWUTHIQPEI-UHFFFAOYSA-N 1 2 392.499 3.766 20 30 GHEDLO N#CCCCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(Cl)c(F)cc1F)CC2 ZINC001276495496 1034003664 /nfs/dbraw/zinc/00/36/64/1034003664.db2.gz UQLVHKVEBHWILB-CQSZACIVSA-N 1 2 381.854 3.640 20 30 GHEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1c(C(F)(F)F)nc3sccn13)CC2 ZINC001231428654 1034576359 /nfs/dbraw/zinc/57/63/59/1034576359.db2.gz CGRPEDZXSKOYRS-UHFFFAOYSA-N 1 2 398.454 3.558 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2cc(C)cc(Br)c2O)C1=O ZINC001277541468 1034763328 /nfs/dbraw/zinc/76/33/28/1034763328.db2.gz YHKSQSYTMVRUII-IBGZPJMESA-N 1 2 393.325 3.606 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2cc(C)cc(Br)c2O)C1=O ZINC001277541468 1034763340 /nfs/dbraw/zinc/76/33/40/1034763340.db2.gz YHKSQSYTMVRUII-IBGZPJMESA-N 1 2 393.325 3.606 20 30 GHEDLO COc1cc(C#N)ccc1C[NH+]1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC001231620631 1034777499 /nfs/dbraw/zinc/77/74/99/1034777499.db2.gz HAJFJLAPDZPYDW-UHFFFAOYSA-N 1 2 389.421 3.903 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(Br)c(O)c1 ZINC001277550747 1034834754 /nfs/dbraw/zinc/83/47/54/1034834754.db2.gz FNQMTHKAHUESAR-IBGZPJMESA-N 1 2 393.325 3.688 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(Br)c(O)c1 ZINC001277550747 1034834765 /nfs/dbraw/zinc/83/47/65/1034834765.db2.gz FNQMTHKAHUESAR-IBGZPJMESA-N 1 2 393.325 3.688 20 30 GHEDLO Cc1nc(-c2ccccc2)ncc1C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC001231801093 1034918223 /nfs/dbraw/zinc/91/82/23/1034918223.db2.gz URPYJBLDFWYVJZ-UHFFFAOYSA-N 1 2 387.462 3.785 20 30 GHEDLO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ncc(Br)cc1F)C2 ZINC001231986573 1035025297 /nfs/dbraw/zinc/02/52/97/1035025297.db2.gz UUVBFMLBRHOVRF-QZTJIDSGSA-N 1 2 399.304 3.557 20 30 GHEDLO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1ncc(Br)cc1F)C2 ZINC001231986573 1035025307 /nfs/dbraw/zinc/02/53/07/1035025307.db2.gz UUVBFMLBRHOVRF-QZTJIDSGSA-N 1 2 399.304 3.557 20 30 GHEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2c(C)cc(F)cc2Br)C1=O ZINC001277596625 1035028235 /nfs/dbraw/zinc/02/82/35/1035028235.db2.gz HTQFWBYXBGMCDO-SFHVURJKSA-N 1 2 381.289 3.650 20 30 GHEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2c(C)cc(F)cc2Br)C1=O ZINC001277596625 1035028246 /nfs/dbraw/zinc/02/82/46/1035028246.db2.gz HTQFWBYXBGMCDO-SFHVURJKSA-N 1 2 381.289 3.650 20 30 GHEDLO N#Cc1ccnc(C[NH+]2CCC(C#N)(c3ccc(Br)cc3)CC2)c1 ZINC001232481088 1038261190 /nfs/dbraw/zinc/26/11/90/1038261190.db2.gz UIVNQCXTAWVNDZ-UHFFFAOYSA-N 1 2 381.277 3.773 20 30 GHEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1cccc(Br)c1N)CCO2 ZINC001232524824 1038289310 /nfs/dbraw/zinc/28/93/10/1038289310.db2.gz FYQLISNSYZOVEH-VQIMIIECSA-N 1 2 395.341 3.605 20 30 GHEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1cccc(Br)c1N)CCO2 ZINC001232524824 1038289319 /nfs/dbraw/zinc/28/93/19/1038289319.db2.gz FYQLISNSYZOVEH-VQIMIIECSA-N 1 2 395.341 3.605 20 30 GHEDLO C=CCCCNC(=S)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001247739455 1038356861 /nfs/dbraw/zinc/35/68/61/1038356861.db2.gz OWJGRNVVJHSFOQ-UHFFFAOYSA-N 1 2 387.471 3.544 20 30 GHEDLO CCOC(=O)c1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)c(Cl)c1 ZINC001232592900 1038367511 /nfs/dbraw/zinc/36/75/11/1038367511.db2.gz YZDZPVWWZKTGMQ-UHFFFAOYSA-N 1 2 383.879 3.711 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@@H](F)[C@]2(CC[N@H+](Cc3cc(F)ccc3C#N)C2)C1 ZINC001232889993 1038675503 /nfs/dbraw/zinc/67/55/03/1038675503.db2.gz WJUQFEDJGRSPAB-NQIIRXRSSA-N 1 2 391.462 3.868 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@@H](F)[C@]2(CC[N@@H+](Cc3cc(F)ccc3C#N)C2)C1 ZINC001232889993 1038675508 /nfs/dbraw/zinc/67/55/08/1038675508.db2.gz WJUQFEDJGRSPAB-NQIIRXRSSA-N 1 2 391.462 3.868 20 30 GHEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCCN(c2ncccc2C(F)(F)F)CC1 ZINC001232891362 1038681884 /nfs/dbraw/zinc/68/18/84/1038681884.db2.gz DSLCOXMLFDTEJO-UHFFFAOYSA-N 1 2 378.373 3.823 20 30 GHEDLO N#Cc1ccc(F)cc1C[N@H+]1CCCN(c2ncccc2C(F)(F)F)CC1 ZINC001232891362 1038681885 /nfs/dbraw/zinc/68/18/85/1038681885.db2.gz DSLCOXMLFDTEJO-UHFFFAOYSA-N 1 2 378.373 3.823 20 30 GHEDLO N#Cc1cc(CN2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)ccc1Br ZINC001232896492 1038689979 /nfs/dbraw/zinc/68/99/79/1038689979.db2.gz CUHLWDFFYDLPHH-INIZCTEOSA-N 1 2 384.268 3.626 20 30 GHEDLO CC(=O)N(C(C)C)C1CC[NH+](Cc2ccc(Br)c(C#N)c2)CC1 ZINC001232896865 1038691255 /nfs/dbraw/zinc/69/12/55/1038691255.db2.gz AIEVFCSHHWIJIV-UHFFFAOYSA-N 1 2 378.314 3.542 20 30 GHEDLO Cc1ccc(C[N@@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)c(C#N)c1 ZINC001232964893 1038738775 /nfs/dbraw/zinc/73/87/75/1038738775.db2.gz DNLXIWZZRVXHCI-JTHBVZDNSA-N 1 2 377.488 3.712 20 30 GHEDLO Cc1ccc(C[N@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)c(C#N)c1 ZINC001232964893 1038738783 /nfs/dbraw/zinc/73/87/83/1038738783.db2.gz DNLXIWZZRVXHCI-JTHBVZDNSA-N 1 2 377.488 3.712 20 30 GHEDLO COc1cc(Br)cn2ncc(C[N@@H+]3CCc4cc(C#N)ccc4C3)c12 ZINC001233021820 1038773970 /nfs/dbraw/zinc/77/39/70/1038773970.db2.gz HAWNJZSLEDYBPN-UHFFFAOYSA-N 1 2 397.276 3.535 20 30 GHEDLO COc1cc(Br)cn2ncc(C[N@H+]3CCc4cc(C#N)ccc4C3)c12 ZINC001233021820 1038773978 /nfs/dbraw/zinc/77/39/78/1038773978.db2.gz HAWNJZSLEDYBPN-UHFFFAOYSA-N 1 2 397.276 3.535 20 30 GHEDLO C[C@H](Oc1ncc(C(F)(F)F)cc1C#N)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001233505927 1039396756 /nfs/dbraw/zinc/39/67/56/1039396756.db2.gz ACLVAZFKWUPCGL-KBXCAEBGSA-N 1 2 391.393 3.640 20 30 GHEDLO C[C@H](Oc1ncc(C(F)(F)F)cc1C#N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001233505927 1039396766 /nfs/dbraw/zinc/39/67/66/1039396766.db2.gz ACLVAZFKWUPCGL-KBXCAEBGSA-N 1 2 391.393 3.640 20 30 GHEDLO C=CCCCCCC[C@@H](O)C[N@@H+]1Cc2nnn(CC3CC3)c2[C@H](COCC)C1 ZINC001253234833 1039489679 /nfs/dbraw/zinc/48/96/79/1039489679.db2.gz FYJPMYRPUXGKPP-VQTJNVASSA-N 1 2 390.572 3.511 20 30 GHEDLO C=CCCCCCC[C@@H](O)C[N@H+]1Cc2nnn(CC3CC3)c2[C@H](COCC)C1 ZINC001253234833 1039489687 /nfs/dbraw/zinc/48/96/87/1039489687.db2.gz FYJPMYRPUXGKPP-VQTJNVASSA-N 1 2 390.572 3.511 20 30 GHEDLO N#CCCCN1CC[C@@]2(CCC[N@H+]2Cc2cc3sccc3nc2Cl)C1=O ZINC001277867097 1040147375 /nfs/dbraw/zinc/14/73/75/1040147375.db2.gz RKQAFXAAMHJWHU-IBGZPJMESA-N 1 2 388.924 3.820 20 30 GHEDLO N#CCCCN1CC[C@@]2(CCC[N@@H+]2Cc2cc3sccc3nc2Cl)C1=O ZINC001277867097 1040147387 /nfs/dbraw/zinc/14/73/87/1040147387.db2.gz RKQAFXAAMHJWHU-IBGZPJMESA-N 1 2 388.924 3.820 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC2(CC[C@@H]([N@@H+]3CC[C@H]4SC(=O)C=C4C3)C2)CC1 ZINC001254748217 1040506517 /nfs/dbraw/zinc/50/65/17/1040506517.db2.gz HKVOMROKUGPSJD-IAGOWNOFSA-N 1 2 392.565 3.830 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC2(CC[C@@H]([N@H+]3CC[C@H]4SC(=O)C=C4C3)C2)CC1 ZINC001254748217 1040506534 /nfs/dbraw/zinc/50/65/34/1040506534.db2.gz HKVOMROKUGPSJD-IAGOWNOFSA-N 1 2 392.565 3.830 20 30 GHEDLO CC(C)c1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccccc3C#N)CC2)cc1 ZINC001255381790 1040973275 /nfs/dbraw/zinc/97/32/75/1040973275.db2.gz MQOPXIYLVBYLST-UHFFFAOYSA-N 1 2 397.544 3.625 20 30 GHEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1c(C)cncc1Br)CCO2 ZINC001235644386 1041082379 /nfs/dbraw/zinc/08/23/79/1041082379.db2.gz KHDHTBOSGBDVPS-QFBILLFUSA-N 1 2 395.341 3.726 20 30 GHEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1c(C)cncc1Br)CCO2 ZINC001235644386 1041082400 /nfs/dbraw/zinc/08/24/00/1041082400.db2.gz KHDHTBOSGBDVPS-QFBILLFUSA-N 1 2 395.341 3.726 20 30 GHEDLO N#Cc1cc(F)c(C[NH+]2CCC(N3Cc4ccccc4NC3=O)CC2)c(F)c1 ZINC001235656452 1041106136 /nfs/dbraw/zinc/10/61/36/1041106136.db2.gz DZAAMQLLMASPNA-UHFFFAOYSA-N 1 2 382.414 3.849 20 30 GHEDLO N#Cc1cc(F)c(C[N@H+](Cc2ccccc2)[C@@H]2CCCN3C(=O)OC[C@H]23)c(F)c1 ZINC001235658158 1041106451 /nfs/dbraw/zinc/10/64/51/1041106451.db2.gz HMQBGVOPUBRERV-NHCUHLMSSA-N 1 2 397.425 3.822 20 30 GHEDLO N#Cc1cc(F)c(C[N@@H+](Cc2ccccc2)[C@@H]2CCCN3C(=O)OC[C@H]23)c(F)c1 ZINC001235658158 1041106463 /nfs/dbraw/zinc/10/64/63/1041106463.db2.gz HMQBGVOPUBRERV-NHCUHLMSSA-N 1 2 397.425 3.822 20 30 GHEDLO C=CCOCc1ncn2c1C[N@H+](Cc1ccc(O)c(OC(F)(F)F)c1)CCC2 ZINC001235664252 1041117401 /nfs/dbraw/zinc/11/74/01/1041117401.db2.gz HGGNBNPEQMEFDS-UHFFFAOYSA-N 1 2 397.397 3.596 20 30 GHEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1ccc(O)c(OC(F)(F)F)c1)CCC2 ZINC001235664252 1041117419 /nfs/dbraw/zinc/11/74/19/1041117419.db2.gz HGGNBNPEQMEFDS-UHFFFAOYSA-N 1 2 397.397 3.596 20 30 GHEDLO N#CCCCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c(O)ccc(Cl)c1Cl ZINC001277993297 1041801151 /nfs/dbraw/zinc/80/11/51/1041801151.db2.gz XFHAORQKGRQTBR-LJQANCHMSA-N 1 2 396.318 3.960 20 30 GHEDLO N#CCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c(O)ccc(Cl)c1Cl ZINC001277993297 1041801157 /nfs/dbraw/zinc/80/11/57/1041801157.db2.gz XFHAORQKGRQTBR-LJQANCHMSA-N 1 2 396.318 3.960 20 30 GHEDLO Cn1cc(C[N@@H+]2CCc3onc(COc4ccccn4)c3C2)c2cc(C#N)ccc21 ZINC001237468677 1042221039 /nfs/dbraw/zinc/22/10/39/1042221039.db2.gz NQZZUBIZGADSAE-UHFFFAOYSA-N 1 2 399.454 3.570 20 30 GHEDLO Cn1cc(C[N@H+]2CCc3onc(COc4ccccn4)c3C2)c2cc(C#N)ccc21 ZINC001237468677 1042221043 /nfs/dbraw/zinc/22/10/43/1042221043.db2.gz NQZZUBIZGADSAE-UHFFFAOYSA-N 1 2 399.454 3.570 20 30 GHEDLO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cn2cc(C#N)ccc2n1 ZINC001237616715 1042283041 /nfs/dbraw/zinc/28/30/41/1042283041.db2.gz GEVPHODKDCSQBA-UHOSZYNNSA-N 1 2 380.492 3.681 20 30 GHEDLO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cn2cc(C#N)ccc2n1 ZINC001237616715 1042283046 /nfs/dbraw/zinc/28/30/46/1042283046.db2.gz GEVPHODKDCSQBA-UHOSZYNNSA-N 1 2 380.492 3.681 20 30 GHEDLO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)cc1 ZINC001238084374 1042486690 /nfs/dbraw/zinc/48/66/90/1042486690.db2.gz IDFDIJGJIADSDH-UHFFFAOYSA-N 1 2 383.879 3.711 20 30 GHEDLO CCN(Cc1ccc(C#N)cc1Cl)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001238089048 1042488067 /nfs/dbraw/zinc/48/80/67/1042488067.db2.gz OLTVTYIPBNPGDO-NRFANRHFSA-N 1 2 383.923 3.935 20 30 GHEDLO CCN(Cc1ccc(C#N)cc1Cl)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001238089048 1042488069 /nfs/dbraw/zinc/48/80/69/1042488069.db2.gz OLTVTYIPBNPGDO-NRFANRHFSA-N 1 2 383.923 3.935 20 30 GHEDLO CCc1cc(C[N@@H+]2CCOCC23CCN(C(=O)OC(C)(C)C)CC3)ccc1C#N ZINC001238761146 1042717688 /nfs/dbraw/zinc/71/76/88/1042717688.db2.gz SLHSRJUUYSCZTQ-UHFFFAOYSA-N 1 2 399.535 3.723 20 30 GHEDLO CCc1cc(C[N@H+]2CCOCC23CCN(C(=O)OC(C)(C)C)CC3)ccc1C#N ZINC001238761146 1042717695 /nfs/dbraw/zinc/71/76/95/1042717695.db2.gz SLHSRJUUYSCZTQ-UHFFFAOYSA-N 1 2 399.535 3.723 20 30 GHEDLO N#CC1CCC([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)OCc2ccccc2)CC1 ZINC001256956269 1043772462 /nfs/dbraw/zinc/77/24/62/1043772462.db2.gz OGGMQODCRZZMTM-ZNIKRAEXSA-N 1 2 378.472 3.719 20 30 GHEDLO C#C[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(Br)cc1 ZINC001298538300 1045860815 /nfs/dbraw/zinc/86/08/15/1045860815.db2.gz HFSDCAZIIAQVNT-LJQANCHMSA-N 1 2 394.272 3.798 20 30 GHEDLO CCCCCCCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001298908511 1045983069 /nfs/dbraw/zinc/98/30/69/1045983069.db2.gz MHVVENAZEMHFBD-LJQANCHMSA-N 1 2 395.588 3.891 20 30 GHEDLO C=CCN(C)c1nnc(CC(C)(C)C)n1C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC001301296552 1046461155 /nfs/dbraw/zinc/46/11/55/1046461155.db2.gz ISBKJFHUJMQZGM-HXUWFJFHSA-N 1 2 397.567 3.562 20 30 GHEDLO C=CCN(C)c1nnc(CCc2ccccc2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001301305652 1046467343 /nfs/dbraw/zinc/46/73/43/1046467343.db2.gz JVXVUSJFKHVBKE-HXUWFJFHSA-N 1 2 390.535 3.768 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2Cc2ccccc2)nnc1N1CC[C@H](C2CC2)C1 ZINC001262990409 1046473950 /nfs/dbraw/zinc/47/39/50/1046473950.db2.gz ANMKQADKAGIEJK-FQEVSTJZSA-N 1 2 388.519 3.536 20 30 GHEDLO C=CCN(CCc1ccccc1)c1nnc(C)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001301399380 1046526158 /nfs/dbraw/zinc/52/61/58/1046526158.db2.gz LCCLBEQLLYEXHD-NRFANRHFSA-N 1 2 390.535 3.904 20 30 GHEDLO C[N@@H+]1CCCC[C@H]1c1nnc(N2CCC[C@H](CC#N)C2)n1CCc1ccccc1 ZINC001263184945 1046626038 /nfs/dbraw/zinc/62/60/38/1046626038.db2.gz KFXJDPLKTIFZNI-RTWAWAEBSA-N 1 2 392.551 3.808 20 30 GHEDLO C[N@H+]1CCCC[C@H]1c1nnc(N2CCC[C@H](CC#N)C2)n1CCc1ccccc1 ZINC001263184945 1046626049 /nfs/dbraw/zinc/62/60/49/1046626049.db2.gz KFXJDPLKTIFZNI-RTWAWAEBSA-N 1 2 392.551 3.808 20 30 GHEDLO CC(C)C[C@H](c1nnc(N(C)[C@H]2CCC[C@@H]2C#N)n1CC(C)C)n1cc[nH+]c1 ZINC001263412985 1046795426 /nfs/dbraw/zinc/79/54/26/1046795426.db2.gz NPNQTQHTRZVWBV-CEXWTWQISA-N 1 2 383.544 3.895 20 30 GHEDLO CC(C)Cc1nnc(N(C)[C@H](C)CC#N)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001302832038 1047129924 /nfs/dbraw/zinc/12/99/24/1047129924.db2.gz CFVSZALBTLNQMS-GOSISDBHSA-N 1 2 391.523 3.508 20 30 GHEDLO C=CCN(CC=C)c1nnc(-c2ccccc2F)n1Cc1c[nH+]ccc1OC ZINC001286754348 1048507066 /nfs/dbraw/zinc/50/70/66/1048507066.db2.gz VCBRDZHGMYUZDA-UHFFFAOYSA-N 1 2 379.439 3.715 20 30 GHEDLO C=CCN(CC=C)c1nnc(-c2cccnc2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001286755357 1048508781 /nfs/dbraw/zinc/50/87/81/1048508781.db2.gz VRMROPFDJRMIQQ-LJQANCHMSA-N 1 2 389.507 3.601 20 30 GHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CC[C@H]3[C@@H](C2)C3(F)F)c1C#N ZINC001307596299 1049433911 /nfs/dbraw/zinc/43/39/11/1049433911.db2.gz JAMHZXWVJKKXTB-RBUKOAKNSA-N 1 2 398.457 3.550 20 30 GHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CC[C@H]3[C@@H](C2)C3(F)F)c1C#N ZINC001307596299 1049433918 /nfs/dbraw/zinc/43/39/18/1049433918.db2.gz JAMHZXWVJKKXTB-RBUKOAKNSA-N 1 2 398.457 3.550 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCCC[C@@]23CCOC3)c1C#N ZINC001308166706 1049897108 /nfs/dbraw/zinc/89/71/08/1049897108.db2.gz KGXUBLJPCDNJKU-QFIPXVFZSA-N 1 2 384.524 3.675 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCCC[C@@]23CCOC3)c1C#N ZINC001308166706 1049897113 /nfs/dbraw/zinc/89/71/13/1049897113.db2.gz KGXUBLJPCDNJKU-QFIPXVFZSA-N 1 2 384.524 3.675 20 30 GHEDLO CC(C)(C)OC(=O)NC(C)(C)c1cc(C[NH2+]CC2(C#N)CCCCC2)on1 ZINC001308867197 1050130575 /nfs/dbraw/zinc/13/05/75/1050130575.db2.gz LMNRQKFMFXMVRH-UHFFFAOYSA-N 1 2 376.501 3.998 20 30 GHEDLO CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000754991485 1050213281 /nfs/dbraw/zinc/21/32/81/1050213281.db2.gz QZPFIPVBGWAHNJ-HNNXBMFYSA-N 1 2 394.313 3.810 20 30 GHEDLO CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000754991485 1050213293 /nfs/dbraw/zinc/21/32/93/1050213293.db2.gz QZPFIPVBGWAHNJ-HNNXBMFYSA-N 1 2 394.313 3.810 20 30 GHEDLO C#Cc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(Cl)c1 ZINC001311258604 1051973450 /nfs/dbraw/zinc/97/34/50/1051973450.db2.gz NJIGKGSCXXQKSY-UHFFFAOYSA-N 1 2 378.863 3.543 20 30 GHEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1Cc2ccccc2[C@H]1C ZINC001342354251 1053124676 /nfs/dbraw/zinc/12/46/76/1053124676.db2.gz GKMVYWNTRNXRRX-XLIONFOSSA-N 1 2 381.524 3.717 20 30 GHEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1Cc2ccccc2[C@H]1C ZINC001342354251 1053124682 /nfs/dbraw/zinc/12/46/82/1053124682.db2.gz GKMVYWNTRNXRRX-XLIONFOSSA-N 1 2 381.524 3.717 20 30 GHEDLO C=C(C)Cn1c(CCCC#N)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001342760357 1053341655 /nfs/dbraw/zinc/34/16/55/1053341655.db2.gz BSSBMMDKPMQAAA-UHFFFAOYSA-N 1 2 398.942 3.676 20 30 GHEDLO C[N@@H+]1CCCC[C@H]1c1nnc(N(CCC#N)CC2CC2)n1Cc1ccccc1 ZINC001343722534 1053986054 /nfs/dbraw/zinc/98/60/54/1053986054.db2.gz SGRBTFGVKRSNJP-FQEVSTJZSA-N 1 2 378.524 3.613 20 30 GHEDLO C[N@H+]1CCCC[C@H]1c1nnc(N(CCC#N)CC2CC2)n1Cc1ccccc1 ZINC001343722534 1053986062 /nfs/dbraw/zinc/98/60/62/1053986062.db2.gz SGRBTFGVKRSNJP-FQEVSTJZSA-N 1 2 378.524 3.613 20 30 GHEDLO C=C(C)Cn1c([C@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1Cc2ccccc2[C@@H]1C ZINC001343780180 1054023020 /nfs/dbraw/zinc/02/30/20/1054023020.db2.gz KPGPYTCXFQNBDT-HFSMHLIXSA-N 1 2 393.535 3.861 20 30 GHEDLO C=C(C)Cn1c([C@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1Cc2ccccc2[C@@H]1C ZINC001343780180 1054023036 /nfs/dbraw/zinc/02/30/36/1054023036.db2.gz KPGPYTCXFQNBDT-HFSMHLIXSA-N 1 2 393.535 3.861 20 30 GHEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCCC2(CC2)CC1 ZINC001343947567 1054136237 /nfs/dbraw/zinc/13/62/37/1054136237.db2.gz PSAWGVGZKOCUAW-MOPGFXCFSA-N 1 2 385.556 3.551 20 30 GHEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCCC2(CC2)CC1 ZINC001343947567 1054136247 /nfs/dbraw/zinc/13/62/47/1054136247.db2.gz PSAWGVGZKOCUAW-MOPGFXCFSA-N 1 2 385.556 3.551 20 30 GHEDLO C=C1CCN(c2nnc([C@H](C)[N@H+](C)Cc3ccccc3)n2C[C@@H]2CCOC2)CC1 ZINC001345411737 1055028969 /nfs/dbraw/zinc/02/89/69/1055028969.db2.gz HQOWOLIWDAIKIV-FPOVZHCZSA-N 1 2 395.551 3.664 20 30 GHEDLO C=C1CCN(c2nnc([C@H](C)[N@@H+](C)Cc3ccccc3)n2C[C@@H]2CCOC2)CC1 ZINC001345411737 1055028979 /nfs/dbraw/zinc/02/89/79/1055028979.db2.gz HQOWOLIWDAIKIV-FPOVZHCZSA-N 1 2 395.551 3.664 20 30 GHEDLO CC(C)Oc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccncc2)cc1C#N ZINC001319324108 1055182275 /nfs/dbraw/zinc/18/22/75/1055182275.db2.gz GLGSXFXSNNOUGQ-FQEVSTJZSA-N 1 2 378.476 3.734 20 30 GHEDLO CC(C)Oc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccncc2)cc1C#N ZINC001319324108 1055182281 /nfs/dbraw/zinc/18/22/81/1055182281.db2.gz GLGSXFXSNNOUGQ-FQEVSTJZSA-N 1 2 378.476 3.734 20 30 GHEDLO N#Cc1ccc(C(=O)O[C@@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)[nH]1 ZINC001345759732 1055245496 /nfs/dbraw/zinc/24/54/96/1055245496.db2.gz JEKMGXFBZYUBPF-INIZCTEOSA-N 1 2 375.215 3.988 20 30 GHEDLO CCOc1ccc(C[N@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)cc1OC ZINC001322159759 1056544847 /nfs/dbraw/zinc/54/48/47/1056544847.db2.gz SPEHJRQTKVXPRU-UHFFFAOYSA-N 1 2 378.432 3.648 20 30 GHEDLO CCOc1ccc(C[N@@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)cc1OC ZINC001322159759 1056544864 /nfs/dbraw/zinc/54/48/64/1056544864.db2.gz SPEHJRQTKVXPRU-UHFFFAOYSA-N 1 2 378.432 3.648 20 30 GHEDLO C#CCN(CC)c1nnc(-c2ccc(CC)cc2)n1CCCNc1cccc[nH+]1 ZINC001300611963 1056647981 /nfs/dbraw/zinc/64/79/81/1056647981.db2.gz PHDTVAZPOHCBBF-UHFFFAOYSA-N 1 2 388.519 3.864 20 30 GHEDLO CN(C)c1[nH+]cccc1/C=C\C(=O)c1ccccc1I ZINC001323544314 1056983847 /nfs/dbraw/zinc/98/38/47/1056983847.db2.gz GOJWSFIPYFVUII-KTKRTIGZSA-N 1 2 378.213 3.648 20 30 GHEDLO CN(c1nnc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)n1C)[C@@H]1CCC[C@@H]1C#N ZINC001355554766 1057211529 /nfs/dbraw/zinc/21/15/29/1057211529.db2.gz XEJDDXBLKJVNIX-AQNXPRMDSA-N 1 2 378.524 3.671 20 30 GHEDLO CN(c1nnc([C@@H]2CCCC[N@H+]2Cc2ccccc2)n1C)[C@@H]1CCC[C@@H]1C#N ZINC001355554766 1057211534 /nfs/dbraw/zinc/21/15/34/1057211534.db2.gz XEJDDXBLKJVNIX-AQNXPRMDSA-N 1 2 378.524 3.671 20 30 GHEDLO C=CCn1c(CC(C)(C)C#N)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001355919774 1057315172 /nfs/dbraw/zinc/31/51/72/1057315172.db2.gz LKFSSKROSYZQIL-UHFFFAOYSA-N 1 2 398.942 3.532 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](CN3C[C@@H](c4ccccc4)CC3=O)CC2)c(F)c1 ZINC001325859135 1057374586 /nfs/dbraw/zinc/37/45/86/1057374586.db2.gz CPWOJRMJAJFYLO-IBGZPJMESA-N 1 2 393.462 3.514 20 30 GHEDLO CCN(Cc1ccccc1F)c1nnc(C2CC[NH+](CCC#N)CC2)n1CC ZINC001356378234 1057494495 /nfs/dbraw/zinc/49/44/95/1057494495.db2.gz JIOCPVKJNSMNSM-UHFFFAOYSA-N 1 2 384.503 3.557 20 30 GHEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N(C)CC1=CCSC1 ZINC001338994451 1058916700 /nfs/dbraw/zinc/91/67/00/1058916700.db2.gz CNAZZXZIHQNPBO-QGZVFWFLSA-N 1 2 383.565 3.767 20 30 GHEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N(C)CC1=CCSC1 ZINC001338994451 1058916702 /nfs/dbraw/zinc/91/67/02/1058916702.db2.gz CNAZZXZIHQNPBO-QGZVFWFLSA-N 1 2 383.565 3.767 20 30 GHEDLO CC1(C)CN(C(=O)C(=O)/C=C\c2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001443551598 1059149285 /nfs/dbraw/zinc/14/92/85/1059149285.db2.gz NTTCIHUYOYNZNY-RAXLEYEMSA-N 1 2 380.463 3.531 20 30 GHEDLO CC1(C)CN(C(=O)C(=O)/C=C\c2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC001443551598 1059149293 /nfs/dbraw/zinc/14/92/93/1059149293.db2.gz NTTCIHUYOYNZNY-RAXLEYEMSA-N 1 2 380.463 3.531 20 30 GHEDLO CCS[C@@H]1CCCCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CC)C1 ZINC001339368906 1059149688 /nfs/dbraw/zinc/14/96/88/1059149688.db2.gz VOYRYFXZDQBRQH-GOSISDBHSA-N 1 2 390.601 3.503 20 30 GHEDLO CCc1ccc(C[NH+]2CCN(C(=O)c3ccc4c(C#N)c[nH]c4c3)CC2)s1 ZINC001444345691 1059312874 /nfs/dbraw/zinc/31/28/74/1059312874.db2.gz XGEZVRPAIDUCLM-UHFFFAOYSA-N 1 2 378.501 3.621 20 30 GHEDLO CCn1c([C@@H](C)CCC#N)nnc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001339597936 1059334060 /nfs/dbraw/zinc/33/40/60/1059334060.db2.gz XRKSRXOMILCGBP-INIZCTEOSA-N 1 2 386.931 3.681 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC[C@@H](C(C)(C)O)C1 ZINC001339773790 1059459020 /nfs/dbraw/zinc/45/90/20/1059459020.db2.gz FNCWVQIZTXPTNE-AZUAARDMSA-N 1 2 397.567 3.644 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC[C@@H](C(C)(C)O)C1 ZINC001339773790 1059459029 /nfs/dbraw/zinc/45/90/29/1059459029.db2.gz FNCWVQIZTXPTNE-AZUAARDMSA-N 1 2 397.567 3.644 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@]2(CC2(F)F)C1 ZINC001339775813 1059461451 /nfs/dbraw/zinc/46/14/51/1059461451.db2.gz ZVMLOKMDEFRVGL-JXFKEZNVSA-N 1 2 387.478 3.893 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@]2(CC2(F)F)C1 ZINC001339775813 1059461466 /nfs/dbraw/zinc/46/14/66/1059461466.db2.gz ZVMLOKMDEFRVGL-JXFKEZNVSA-N 1 2 387.478 3.893 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC(OCC2CC2)CC1 ZINC001339796858 1059479333 /nfs/dbraw/zinc/47/93/33/1059479333.db2.gz YJFLBIOPEONWOX-HXUWFJFHSA-N 1 2 398.555 3.692 20 30 GHEDLO N#C[C@H]1C[C@H]1C(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001446532206 1059792801 /nfs/dbraw/zinc/79/28/01/1059792801.db2.gz XFFMXXURGDPNLO-HMXCVIKNSA-N 1 2 379.891 3.733 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@@H+]2Cc2ccccc2)nnc1N1CCC(OC)CC1 ZINC001340428830 1059927559 /nfs/dbraw/zinc/92/75/59/1059927559.db2.gz SKMBJIACDLINQZ-OAQYLSRUSA-N 1 2 395.551 3.807 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@H+]2Cc2ccccc2)nnc1N1CCC(OC)CC1 ZINC001340428830 1059927564 /nfs/dbraw/zinc/92/75/64/1059927564.db2.gz SKMBJIACDLINQZ-OAQYLSRUSA-N 1 2 395.551 3.807 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC(F)(F)C[C@@H]1C ZINC001340641641 1060012422 /nfs/dbraw/zinc/01/24/22/1060012422.db2.gz POBRXYFIYBIALH-JKSUJKDBSA-N 1 2 378.471 3.920 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC(F)(F)C[C@H]1C ZINC001340641640 1060013616 /nfs/dbraw/zinc/01/36/16/1060013616.db2.gz POBRXYFIYBIALH-HZPDHXFCSA-N 1 2 378.471 3.920 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N(C)Cc1nc2ccccc2s1 ZINC001342003774 1060991097 /nfs/dbraw/zinc/99/10/97/1060991097.db2.gz NJDXJXNZTQDYSH-MRXNPFEDSA-N 1 2 382.537 3.867 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N(C)Cc1nc2ccccc2s1 ZINC001342003774 1060991104 /nfs/dbraw/zinc/99/11/04/1060991104.db2.gz NJDXJXNZTQDYSH-MRXNPFEDSA-N 1 2 382.537 3.867 20 30 GHEDLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(C(=O)NCc2cc(C#N)ccc2F)C1 ZINC001342011779 1060995077 /nfs/dbraw/zinc/99/50/77/1060995077.db2.gz MTMAWFYPUUWRMH-MRXNPFEDSA-N 1 2 383.471 3.738 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC[C@@H](CC#N)C1 ZINC001342032610 1061008428 /nfs/dbraw/zinc/00/84/28/1061008428.db2.gz GYVCZJQNDUZUPO-RBUKOAKNSA-N 1 2 381.528 3.816 20 30 GHEDLO C[C@@H]1CCCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2Cc2ccccc2)C1 ZINC001342265581 1061188234 /nfs/dbraw/zinc/18/82/34/1061188234.db2.gz OGRJUJUSRIXWKY-LJQANCHMSA-N 1 2 392.551 3.656 20 30 GHEDLO C[C@@H]1CCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2Cc2cccs2)[C@@H]1C ZINC001345970907 1061251990 /nfs/dbraw/zinc/25/19/90/1061251990.db2.gz WRWXBOXXSBYISZ-IAGOWNOFSA-N 1 2 398.580 3.716 20 30 GHEDLO Cc1cn2c([nH+]1)[C@@H](Cn1c(CC(C)(C)C)nnc1N(C)C[C@H](C)C#N)CCC2 ZINC001492628437 1061829459 /nfs/dbraw/zinc/82/94/59/1061829459.db2.gz FWTXBUFJTJDPQH-NVXWUHKLSA-N 1 2 383.544 3.545 20 30 GHEDLO N#Cc1cc(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)cs1 ZINC001435053023 1062247234 /nfs/dbraw/zinc/24/72/34/1062247234.db2.gz UJBAJTAAIZCEJR-UHFFFAOYSA-N 1 2 376.445 3.509 20 30 GHEDLO C=C[C@H](CC)CC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC001459043641 1063988741 /nfs/dbraw/zinc/98/87/41/1063988741.db2.gz METXEIHYBVDEAQ-CQSZACIVSA-N 1 2 380.330 3.742 20 30 GHEDLO C=CCC[C@@H](C(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC001438557108 1064069278 /nfs/dbraw/zinc/06/92/78/1064069278.db2.gz QBGONAULTKEBMB-HXUWFJFHSA-N 1 2 386.536 3.659 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC(OC2CCCCC2)CC1 ZINC001351615249 1064533429 /nfs/dbraw/zinc/53/34/29/1064533429.db2.gz HONBOSOJCNXXTD-HXUWFJFHSA-N 1 2 387.572 3.939 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC(OC2CCCCC2)CC1 ZINC001351615249 1064533445 /nfs/dbraw/zinc/53/34/45/1064533445.db2.gz HONBOSOJCNXXTD-HXUWFJFHSA-N 1 2 387.572 3.939 20 30 GHEDLO CC[NH+](CC)Cc1csc(NC(=O)c2ccc(Br)cc2C#N)n1 ZINC001300052700 1065130112 /nfs/dbraw/zinc/13/01/12/1065130112.db2.gz FCGAGPGRDZVCFU-UHFFFAOYSA-N 1 2 393.310 3.871 20 30 GHEDLO N#Cc1ccccc1C(F)(F)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC001466146950 1065998183 /nfs/dbraw/zinc/99/81/83/1065998183.db2.gz XKMDWKOMIVZITJ-UHFFFAOYSA-N 1 2 384.430 3.742 20 30 GHEDLO C=CCN(CC=C)c1nnc(-c2ccccc2OC)n1Cc1c[nH+]ccc1OC ZINC001359269958 1067935893 /nfs/dbraw/zinc/93/58/93/1067935893.db2.gz WBUSARKERUCZGM-UHFFFAOYSA-N 1 2 391.475 3.584 20 30 GHEDLO COc1nscc1C[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001460874221 1069243483 /nfs/dbraw/zinc/24/34/83/1069243483.db2.gz DSHFNRQNKCVNHJ-YUMQZZPRSA-N 1 2 396.303 3.755 20 30 GHEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC001478806338 1078991033 /nfs/dbraw/zinc/99/10/33/1078991033.db2.gz WGVODQITJGUWCO-QFIPXVFZSA-N 1 2 393.531 3.710 20 30 GHEDLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2ccccc2OCC#N)CC1 ZINC001471707265 1073190323 /nfs/dbraw/zinc/19/03/23/1073190323.db2.gz CCHKWEZUVLBOBO-HXUWFJFHSA-N 1 2 381.451 3.637 20 30 GHEDLO COC(=O)[C@H](c1cccc(C#N)c1)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC001473188877 1073843064 /nfs/dbraw/zinc/84/30/64/1073843064.db2.gz KODIDQBNGWXYPP-IERDGZPVSA-N 1 2 397.906 3.805 20 30 GHEDLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(C#N)ccc1Br ZINC001473701536 1074095899 /nfs/dbraw/zinc/09/58/99/1074095899.db2.gz KHQDZZRCSHBXDI-WFASDCNBSA-N 1 2 394.313 3.808 20 30 GHEDLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1cc(C#N)ccc1Br ZINC001473701536 1074095903 /nfs/dbraw/zinc/09/59/03/1074095903.db2.gz KHQDZZRCSHBXDI-WFASDCNBSA-N 1 2 394.313 3.808 20 30 GHEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(-c2ccc(Br)cc2)cc1 ZINC000414107115 837576247 /nfs/dbraw/zinc/57/62/47/837576247.db2.gz JODYIWOHKNKSLQ-GOSISDBHSA-N 1 2 389.293 3.701 20 30 GHEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(-c2ccc(Br)cc2)cc1 ZINC000414107115 837576256 /nfs/dbraw/zinc/57/62/56/837576256.db2.gz JODYIWOHKNKSLQ-GOSISDBHSA-N 1 2 389.293 3.701 20 30 GHEDLO CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000329168612 834500257 /nfs/dbraw/zinc/50/02/57/834500257.db2.gz JEGSPSPUGDFODT-HIFRSBDPSA-N 1 2 396.582 3.665 20 30 GHEDLO Cc1cccc([C@@H](CNc2nc3cc(Cl)ccn3c2C#N)[NH+]2CCOCC2)c1 ZINC000584418010 834559467 /nfs/dbraw/zinc/55/94/67/834559467.db2.gz VDENZVRYSMVQEX-LJQANCHMSA-N 1 2 395.894 3.653 20 30 GHEDLO C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278641991 835677041 /nfs/dbraw/zinc/67/70/41/835677041.db2.gz DJOANWVMTWKYRI-MRXNPFEDSA-N 1 2 393.491 3.922 20 30 GHEDLO N#CCCCCNC(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000179650589 835709887 /nfs/dbraw/zinc/70/98/87/835709887.db2.gz JEWBAIZKHPQRKK-UHFFFAOYSA-N 1 2 383.323 3.557 20 30 GHEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000164935460 835762852 /nfs/dbraw/zinc/76/28/52/835762852.db2.gz FBFUWWCEXIVKMZ-KRWDZBQOSA-N 1 2 381.480 3.566 20 30 GHEDLO N#Cc1cc(F)ccc1C[N@H+]1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000573179620 835862022 /nfs/dbraw/zinc/86/20/22/835862022.db2.gz FARXCIXZEYHSEN-UHFFFAOYSA-N 1 2 389.430 3.516 20 30 GHEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000573179620 835862028 /nfs/dbraw/zinc/86/20/28/835862028.db2.gz FARXCIXZEYHSEN-UHFFFAOYSA-N 1 2 389.430 3.516 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)cc1OC ZINC000628254631 836087328 /nfs/dbraw/zinc/08/73/28/836087328.db2.gz JEUQRECVMHTSTO-AVYPCKFXSA-N 1 2 381.900 3.682 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)cc1OC ZINC000628254631 836087338 /nfs/dbraw/zinc/08/73/38/836087338.db2.gz JEUQRECVMHTSTO-AVYPCKFXSA-N 1 2 381.900 3.682 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)c2cccc(F)c2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000187225120 836240135 /nfs/dbraw/zinc/24/01/35/836240135.db2.gz RJMOOXPODJTZQF-MSOLQXFVSA-N 1 2 375.806 3.665 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)c2cccc(F)c2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000187225120 836240141 /nfs/dbraw/zinc/24/01/41/836240141.db2.gz RJMOOXPODJTZQF-MSOLQXFVSA-N 1 2 375.806 3.665 20 30 GHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCC3CCC(C#N)CC3)n2)C1 ZINC000570004342 836266381 /nfs/dbraw/zinc/26/63/81/836266381.db2.gz SNSSIDGWXVTBLF-FHERZECASA-N 1 2 375.542 3.826 20 30 GHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCC3CCC(C#N)CC3)n2)C1 ZINC000570004342 836266392 /nfs/dbraw/zinc/26/63/92/836266392.db2.gz SNSSIDGWXVTBLF-FHERZECASA-N 1 2 375.542 3.826 20 30 GHEDLO COc1ccc(CC(N)=[NH+]OCc2coc(-c3ccc(F)cc3)n2)cc1OC ZINC000065948636 836323507 /nfs/dbraw/zinc/32/35/07/836323507.db2.gz IBQJLGXJTMYOEW-UHFFFAOYSA-N 1 2 385.395 3.529 20 30 GHEDLO C=CCn1c(CC)nnc1N1CC[NH+]([C@H](CC)c2ccc(F)cc2F)CC1 ZINC000548948343 836512913 /nfs/dbraw/zinc/51/29/13/836512913.db2.gz NHWWECUDFBHFDQ-GOSISDBHSA-N 1 2 375.467 3.578 20 30 GHEDLO C=CC[C@H](C(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1)c1ccccc1 ZINC001266449479 836999592 /nfs/dbraw/zinc/99/95/92/836999592.db2.gz RKYGPCAGHJTKNE-QHCPKHFHSA-N 1 2 394.515 3.578 20 30 GHEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2nc3c(cc2C#N)COCC3)CC1 ZINC000584510479 837146895 /nfs/dbraw/zinc/14/68/95/837146895.db2.gz FAGQZTDXSVGXKZ-OAHLLOKOSA-N 1 2 382.895 3.563 20 30 GHEDLO C=CCSCCNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000430448455 837843101 /nfs/dbraw/zinc/84/31/01/837843101.db2.gz LOMIYVZJWRMYCA-UHFFFAOYSA-N 1 2 378.929 3.668 20 30 GHEDLO C=C(C)Cn1c(CC2CCCCC2)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000549320057 837850148 /nfs/dbraw/zinc/85/01/48/837850148.db2.gz GXNYKQTVSPWUCR-UHFFFAOYSA-N 1 2 394.567 3.694 20 30 GHEDLO C=CCOCc1ncn2c1C[N@H+](Cc1c(F)c(F)ccc1OCC)CCC2 ZINC001143488728 839115731 /nfs/dbraw/zinc/11/57/31/839115731.db2.gz SZVCKEVASWAGAB-UHFFFAOYSA-N 1 2 377.435 3.669 20 30 GHEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1c(F)c(F)ccc1OCC)CCC2 ZINC001143488728 839115737 /nfs/dbraw/zinc/11/57/37/839115737.db2.gz SZVCKEVASWAGAB-UHFFFAOYSA-N 1 2 377.435 3.669 20 30 GHEDLO C[C@](CO)([NH2+]Cc1ccc(Cl)cc1C#N)c1ccc(Br)cc1 ZINC000511560203 839309571 /nfs/dbraw/zinc/30/95/71/839309571.db2.gz DZMDIVYAGRGXBC-QGZVFWFLSA-N 1 2 379.685 3.971 20 30 GHEDLO N#Cc1cscc1C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000432064890 840580480 /nfs/dbraw/zinc/58/04/80/840580480.db2.gz UQGUPZZYUOPXGM-UHFFFAOYSA-N 1 2 380.498 3.887 20 30 GHEDLO N#Cc1cscc1C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000432064890 840580491 /nfs/dbraw/zinc/58/04/91/840580491.db2.gz UQGUPZZYUOPXGM-UHFFFAOYSA-N 1 2 380.498 3.887 20 30 GHEDLO C[N@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)Nc1ccc(F)cc1C#N)CC2 ZINC000276033247 840777419 /nfs/dbraw/zinc/77/74/19/840777419.db2.gz RMUKCASCYIHOJF-KRWDZBQOSA-N 1 2 399.495 3.672 20 30 GHEDLO C[N@@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)Nc1ccc(F)cc1C#N)CC2 ZINC000276033247 840777429 /nfs/dbraw/zinc/77/74/29/840777429.db2.gz RMUKCASCYIHOJF-KRWDZBQOSA-N 1 2 399.495 3.672 20 30 GHEDLO COc1cc(C[NH+]2CCN(c3ccccc3C#N)CC2)cc(C(F)(F)F)c1 ZINC001143512268 840898258 /nfs/dbraw/zinc/89/82/58/840898258.db2.gz XEUQMFDYRPVCMQ-UHFFFAOYSA-N 1 2 375.394 3.908 20 30 GHEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3ccc(Br)cc3F)CC2)nc1 ZINC001204554084 840949397 /nfs/dbraw/zinc/94/93/97/840949397.db2.gz KTEMXVBILDSYNZ-UHFFFAOYSA-N 1 2 389.272 3.567 20 30 GHEDLO N#Cc1ccc(N2CCC[N@H+](Cc3ccc(Br)cc3F)CC2)nc1 ZINC001204554084 840949405 /nfs/dbraw/zinc/94/94/05/840949405.db2.gz KTEMXVBILDSYNZ-UHFFFAOYSA-N 1 2 389.272 3.567 20 30 GHEDLO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000124822256 841017620 /nfs/dbraw/zinc/01/76/20/841017620.db2.gz IFLAPRXMVUGVQJ-OAHLLOKOSA-N 1 2 387.534 3.515 20 30 GHEDLO CCC[N@H+]1CCC[C@@H]1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000124822256 841017624 /nfs/dbraw/zinc/01/76/24/841017624.db2.gz IFLAPRXMVUGVQJ-OAHLLOKOSA-N 1 2 387.534 3.515 20 30 GHEDLO O=C(NCCc1nc2ccccc2n1C(F)F)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329306668 861266685 /nfs/dbraw/zinc/26/66/85/861266685.db2.gz YSQOAMSETDHIDF-KRWDZBQOSA-N 1 2 392.450 3.574 20 30 GHEDLO O=C(NCCc1nc2ccccc2n1C(F)F)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329306668 861266699 /nfs/dbraw/zinc/26/66/99/861266699.db2.gz YSQOAMSETDHIDF-KRWDZBQOSA-N 1 2 392.450 3.574 20 30 GHEDLO COc1ccc(C#N)cc1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279026068 842480721 /nfs/dbraw/zinc/48/07/21/842480721.db2.gz IBEKPGQIMXRNNG-UHFFFAOYSA-N 1 2 379.464 3.511 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000512192260 842960110 /nfs/dbraw/zinc/96/01/10/842960110.db2.gz AXJNMZKBIYBVEG-HNNXBMFYSA-N 1 2 376.884 3.508 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000512192260 842960115 /nfs/dbraw/zinc/96/01/15/842960115.db2.gz AXJNMZKBIYBVEG-HNNXBMFYSA-N 1 2 376.884 3.508 20 30 GHEDLO N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(c4c[nH]c[nH+]4)CC3)cn2)c1 ZINC000610583837 843182578 /nfs/dbraw/zinc/18/25/78/843182578.db2.gz JWEHOXQCVQPCBX-UHFFFAOYSA-N 1 2 388.431 3.880 20 30 GHEDLO N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(c4c[nH+]c[nH]4)CC3)cn2)c1 ZINC000610583837 843182582 /nfs/dbraw/zinc/18/25/82/843182582.db2.gz JWEHOXQCVQPCBX-UHFFFAOYSA-N 1 2 388.431 3.880 20 30 GHEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)c(C#N)c1C ZINC000430958403 843253191 /nfs/dbraw/zinc/25/31/91/843253191.db2.gz XSGRRAHNLPRZBL-IBGZPJMESA-N 1 2 397.544 3.899 20 30 GHEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)c(C#N)c1C ZINC000430958403 843253203 /nfs/dbraw/zinc/25/32/03/843253203.db2.gz XSGRRAHNLPRZBL-IBGZPJMESA-N 1 2 397.544 3.899 20 30 GHEDLO CCCOc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000510753110 843394503 /nfs/dbraw/zinc/39/45/03/843394503.db2.gz PYICWFGXZGKZDF-UHFFFAOYSA-N 1 2 378.476 3.697 20 30 GHEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000924761135 861435667 /nfs/dbraw/zinc/43/56/67/861435667.db2.gz OTODBEGMRMWNHW-UHFFFAOYSA-N 1 2 384.958 3.817 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](CC(=O)c3c[nH]c4ccccc43)CC2)c(F)c1 ZINC000512832475 843829450 /nfs/dbraw/zinc/82/94/50/843829450.db2.gz HXWFVKWWPWLQND-UHFFFAOYSA-N 1 2 377.419 3.905 20 30 GHEDLO Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599676811 861473497 /nfs/dbraw/zinc/47/34/97/861473497.db2.gz GGEDIAQMSQTGSB-UHFFFAOYSA-N 1 2 398.304 3.820 20 30 GHEDLO Cc1cc(Br)ccc1NC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599676811 861473504 /nfs/dbraw/zinc/47/35/04/861473504.db2.gz GGEDIAQMSQTGSB-UHFFFAOYSA-N 1 2 398.304 3.820 20 30 GHEDLO N#Cc1c(F)cccc1C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000614465108 844904324 /nfs/dbraw/zinc/90/43/24/844904324.db2.gz WOUPKSOXMWSHAU-UHFFFAOYSA-N 1 2 391.368 3.674 20 30 GHEDLO CCc1ccc([C@H]2C[C@H](C)CC[N@@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)o1 ZINC000477997352 844988273 /nfs/dbraw/zinc/98/82/73/844988273.db2.gz CNWRFIDYIHEIBD-OXQOHEQNSA-N 1 2 386.517 3.961 20 30 GHEDLO CCc1ccc([C@H]2C[C@H](C)CC[N@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)o1 ZINC000477997352 844988278 /nfs/dbraw/zinc/98/82/78/844988278.db2.gz CNWRFIDYIHEIBD-OXQOHEQNSA-N 1 2 386.517 3.961 20 30 GHEDLO N#Cc1cc(C[N@H+]2CCC[C@@H]2c2ccccc2I)ccn1 ZINC000610993543 845072561 /nfs/dbraw/zinc/07/25/61/845072561.db2.gz WZUVWQNOKMIYNV-QGZVFWFLSA-N 1 2 389.240 3.895 20 30 GHEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H]2c2ccccc2I)ccn1 ZINC000610993543 845072567 /nfs/dbraw/zinc/07/25/67/845072567.db2.gz WZUVWQNOKMIYNV-QGZVFWFLSA-N 1 2 389.240 3.895 20 30 GHEDLO C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000673733611 861529574 /nfs/dbraw/zinc/52/95/74/861529574.db2.gz INCYIQVOWNBYMM-UHFFFAOYSA-N 1 2 385.427 3.875 20 30 GHEDLO C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000413833808 845522688 /nfs/dbraw/zinc/52/26/88/845522688.db2.gz KYOUEJYNCAOERT-SIKLNZKXSA-N 1 2 378.520 3.657 20 30 GHEDLO CSc1cccc(NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c1 ZINC000512798569 845553464 /nfs/dbraw/zinc/55/34/64/845553464.db2.gz XJMJHIIUHXOKJK-UHFFFAOYSA-N 1 2 399.491 3.901 20 30 GHEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000280087628 846286563 /nfs/dbraw/zinc/28/65/63/846286563.db2.gz LEARLMZWXYIRHC-UHFFFAOYSA-N 1 2 377.448 3.525 20 30 GHEDLO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](CCC(F)(F)F)CC1 ZINC000501047206 846574450 /nfs/dbraw/zinc/57/44/50/846574450.db2.gz NHVVKSWRAULYJM-CQSZACIVSA-N 1 2 376.220 3.584 20 30 GHEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000419621166 846689822 /nfs/dbraw/zinc/68/98/22/846689822.db2.gz RJEDJKIAEAVMNY-HXUWFJFHSA-N 1 2 379.508 3.816 20 30 GHEDLO COC(=O)c1cc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc(C(=O)OC)c1 ZINC000501206483 846742405 /nfs/dbraw/zinc/74/24/05/846742405.db2.gz SAPDSKBXPGUXTN-NHCUHLMSSA-N 1 2 392.455 3.532 20 30 GHEDLO COC(=O)c1cc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc(C(=O)OC)c1 ZINC000501206483 846742416 /nfs/dbraw/zinc/74/24/16/846742416.db2.gz SAPDSKBXPGUXTN-NHCUHLMSSA-N 1 2 392.455 3.532 20 30 GHEDLO COC(=O)c1cc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc(C(=O)OC)c1 ZINC000501206482 846742696 /nfs/dbraw/zinc/74/26/96/846742696.db2.gz SAPDSKBXPGUXTN-LEWJYISDSA-N 1 2 392.455 3.532 20 30 GHEDLO COC(=O)c1cc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc(C(=O)OC)c1 ZINC000501206482 846742699 /nfs/dbraw/zinc/74/26/99/846742699.db2.gz SAPDSKBXPGUXTN-LEWJYISDSA-N 1 2 392.455 3.532 20 30 GHEDLO CCc1oc2ccccc2c1C[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000478419943 847076793 /nfs/dbraw/zinc/07/67/93/847076793.db2.gz WADDCRKORCDABJ-UHFFFAOYSA-N 1 2 382.485 3.773 20 30 GHEDLO CCc1oc2ccccc2c1C[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000478419943 847076799 /nfs/dbraw/zinc/07/67/99/847076799.db2.gz WADDCRKORCDABJ-UHFFFAOYSA-N 1 2 382.485 3.773 20 30 GHEDLO C=CCOc1c(Br)cc(C[N@@H+]2CCCO[C@@H](CF)C2)cc1OC ZINC000414474069 847462213 /nfs/dbraw/zinc/46/22/13/847462213.db2.gz CJUTVAAGYGQQDO-AWEZNQCLSA-N 1 2 388.277 3.583 20 30 GHEDLO C=CCOc1c(Br)cc(C[N@H+]2CCCO[C@@H](CF)C2)cc1OC ZINC000414474069 847462222 /nfs/dbraw/zinc/46/22/22/847462222.db2.gz CJUTVAAGYGQQDO-AWEZNQCLSA-N 1 2 388.277 3.583 20 30 GHEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2Cc2ccccc2Cl)c1 ZINC000513784511 847483331 /nfs/dbraw/zinc/48/33/31/847483331.db2.gz SSQVXPFWLFRUFI-SFHVURJKSA-N 1 2 388.920 3.692 20 30 GHEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2Cc2ccccc2Cl)c1 ZINC000513784511 847483341 /nfs/dbraw/zinc/48/33/41/847483341.db2.gz SSQVXPFWLFRUFI-SFHVURJKSA-N 1 2 388.920 3.692 20 30 GHEDLO CC(=O)N1CC[NH+](Cc2ccccc2N=Cc2c(O)ccc3ccccc32)CC1 ZINC000588534471 847808518 /nfs/dbraw/zinc/80/85/18/847808518.db2.gz BAMKNSBAROHILN-UHFFFAOYSA-N 1 2 387.483 3.960 20 30 GHEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)Nc3ccccc3OC(F)F)CC2)cc1 ZINC000502506463 847947453 /nfs/dbraw/zinc/94/74/53/847947453.db2.gz KOIGOYXGIJCFLZ-UHFFFAOYSA-N 1 2 383.398 3.887 20 30 GHEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)Nc3ccccc3OC(F)F)CC2)cc1 ZINC000502506463 847947456 /nfs/dbraw/zinc/94/74/56/847947456.db2.gz KOIGOYXGIJCFLZ-UHFFFAOYSA-N 1 2 383.398 3.887 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+]2CCC[C@H]2C[C@@H](C)O)c1=S ZINC000155460170 849520542 /nfs/dbraw/zinc/52/05/42/849520542.db2.gz JXPMCYPNZRYVNF-PBHICJAKSA-N 1 2 376.501 3.599 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)c1=S ZINC000155460170 849520545 /nfs/dbraw/zinc/52/05/45/849520545.db2.gz JXPMCYPNZRYVNF-PBHICJAKSA-N 1 2 376.501 3.599 20 30 GHEDLO C=CCn1c(=S)n(C[N@@H+]2CCC[C@@H]2C2CC2)nc1[C@H]1COc2ccccc2O1 ZINC000728563395 849656778 /nfs/dbraw/zinc/65/67/78/849656778.db2.gz TWYZPIGBDLLCOG-VQIMIIECSA-N 1 2 398.532 3.944 20 30 GHEDLO C=CCn1c(=S)n(C[N@H+]2CCC[C@@H]2C2CC2)nc1[C@H]1COc2ccccc2O1 ZINC000728563395 849656782 /nfs/dbraw/zinc/65/67/82/849656782.db2.gz TWYZPIGBDLLCOG-VQIMIIECSA-N 1 2 398.532 3.944 20 30 GHEDLO C[C@@H](Cc1ccccc1Cl)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000513809290 849920242 /nfs/dbraw/zinc/92/02/42/849920242.db2.gz HZDAJTINYIPFKT-KRWDZBQOSA-N 1 2 381.907 3.735 20 30 GHEDLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C#N)cs1 ZINC000439782949 850387622 /nfs/dbraw/zinc/38/76/22/850387622.db2.gz OAJHNRYBRHMOMC-DNVCBOLYSA-N 1 2 382.533 3.696 20 30 GHEDLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C#N)cs1 ZINC000439782949 850387639 /nfs/dbraw/zinc/38/76/39/850387639.db2.gz OAJHNRYBRHMOMC-DNVCBOLYSA-N 1 2 382.533 3.696 20 30 GHEDLO Cc1ccc([C@@H]([NH2+]CC#Cc2cccc(Cl)c2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000435910558 850979656 /nfs/dbraw/zinc/97/96/56/850979656.db2.gz XRVVBQYBIDGUDC-UZLBHIALSA-N 1 2 375.921 3.764 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000550096503 851536225 /nfs/dbraw/zinc/53/62/25/851536225.db2.gz LMQWJOUOZIVQHW-IIBYNOLFSA-N 1 2 386.467 3.651 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000550096503 851536236 /nfs/dbraw/zinc/53/62/36/851536236.db2.gz LMQWJOUOZIVQHW-IIBYNOLFSA-N 1 2 386.467 3.651 20 30 GHEDLO C#CCOc1cccc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)c1 ZINC000732433328 862290774 /nfs/dbraw/zinc/29/07/74/862290774.db2.gz HDGFZZHNUZJFNP-QGZVFWFLSA-N 1 2 399.441 3.763 20 30 GHEDLO C#CCOc1cccc(NC(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)c1 ZINC000732433328 862290792 /nfs/dbraw/zinc/29/07/92/862290792.db2.gz HDGFZZHNUZJFNP-QGZVFWFLSA-N 1 2 399.441 3.763 20 30 GHEDLO CC(C)(C)c1nnc(NC(=O)C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)s1 ZINC000329771705 862312020 /nfs/dbraw/zinc/31/20/20/862312020.db2.gz GXRHKMPHZCTSEY-HNNXBMFYSA-N 1 2 385.537 3.561 20 30 GHEDLO CC(C)(C)c1nnc(NC(=O)C[N@H+]2CCCN3c4ccccc4C[C@H]3C2)s1 ZINC000329771705 862312038 /nfs/dbraw/zinc/31/20/38/862312038.db2.gz GXRHKMPHZCTSEY-HNNXBMFYSA-N 1 2 385.537 3.561 20 30 GHEDLO N#Cc1ccc(C2(NC(=O)c3ccc(NCCn4cc[nH+]c4)cc3)CCC2)cc1 ZINC000912060424 852045973 /nfs/dbraw/zinc/04/59/73/852045973.db2.gz UAXJNFBBSTZDSE-UHFFFAOYSA-N 1 2 385.471 3.676 20 30 GHEDLO CC[N@@H+]1CC[C@@H](NC(=O)N2CCC(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180810291 862353890 /nfs/dbraw/zinc/35/38/90/862353890.db2.gz SGWXJXPVZOOHSG-MSOLQXFVSA-N 1 2 378.879 3.560 20 30 GHEDLO CC[N@H+]1CC[C@@H](NC(=O)N2CCC(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180810291 862353908 /nfs/dbraw/zinc/35/39/08/862353908.db2.gz SGWXJXPVZOOHSG-MSOLQXFVSA-N 1 2 378.879 3.560 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)Cc2ccc(OC)c(F)c2)cc1 ZINC000029065226 852482584 /nfs/dbraw/zinc/48/25/84/852482584.db2.gz HCSSGGCUOBEKFM-UHFFFAOYSA-N 1 2 399.466 3.612 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2ccc(OC)c(F)c2)cc1 ZINC000029065226 852482590 /nfs/dbraw/zinc/48/25/90/852482590.db2.gz HCSSGGCUOBEKFM-UHFFFAOYSA-N 1 2 399.466 3.612 20 30 GHEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000505906238 852547397 /nfs/dbraw/zinc/54/73/97/852547397.db2.gz MQNCYZNLAXCEQB-DZFTYQQFSA-N 1 2 397.482 3.860 20 30 GHEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000505906238 852547408 /nfs/dbraw/zinc/54/74/08/852547408.db2.gz MQNCYZNLAXCEQB-DZFTYQQFSA-N 1 2 397.482 3.860 20 30 GHEDLO C[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C[C@@H]1OCCc2ccccc21 ZINC000507238120 852696942 /nfs/dbraw/zinc/69/69/42/852696942.db2.gz WBYKJHJPDOKVGA-DEOSSOPVSA-N 1 2 387.483 3.983 20 30 GHEDLO C[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C[C@@H]1OCCc2ccccc21 ZINC000507238120 852696944 /nfs/dbraw/zinc/69/69/44/852696944.db2.gz WBYKJHJPDOKVGA-DEOSSOPVSA-N 1 2 387.483 3.983 20 30 GHEDLO C[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C[C@H]1OCCc2ccccc21 ZINC000507238134 852697046 /nfs/dbraw/zinc/69/70/46/852697046.db2.gz WBYKJHJPDOKVGA-XMMPIXPASA-N 1 2 387.483 3.983 20 30 GHEDLO C[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C[C@H]1OCCc2ccccc21 ZINC000507238134 852697053 /nfs/dbraw/zinc/69/70/53/852697053.db2.gz WBYKJHJPDOKVGA-XMMPIXPASA-N 1 2 387.483 3.983 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)c(OC(F)F)c1 ZINC000437840574 852752284 /nfs/dbraw/zinc/75/22/84/852752284.db2.gz MFYNWZICOLJRSK-LJQANCHMSA-N 1 2 399.441 3.944 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)c(OC(F)F)c1 ZINC000437840574 852752290 /nfs/dbraw/zinc/75/22/90/852752290.db2.gz MFYNWZICOLJRSK-LJQANCHMSA-N 1 2 399.441 3.944 20 30 GHEDLO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507284589 852753178 /nfs/dbraw/zinc/75/31/78/852753178.db2.gz LJUVUDNKZUJZQI-KRWDZBQOSA-N 1 2 396.922 3.553 20 30 GHEDLO Cc1nc(CC(C)C)c(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000473854602 852756053 /nfs/dbraw/zinc/75/60/53/852756053.db2.gz ZMTZRKIYQFOMMA-UHFFFAOYSA-N 1 2 397.548 3.871 20 30 GHEDLO C[C@]1(O)CCCN(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000329900274 862408212 /nfs/dbraw/zinc/40/82/12/862408212.db2.gz GAZOWSFYGGQYQM-XLIONFOSSA-N 1 2 397.922 3.767 20 30 GHEDLO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC([O-])=[NH+][C@@H]2CCCC[C@@H]2n2cccn2)C1 ZINC000329949017 862448816 /nfs/dbraw/zinc/44/88/16/862448816.db2.gz LFAWVWNQEPKJRK-PMXSJFBMSA-N 1 2 381.524 3.706 20 30 GHEDLO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC([O-])=[NH+][C@@H]2CCCC[C@@H]2n2cccn2)C1 ZINC000329949017 862448821 /nfs/dbraw/zinc/44/88/21/862448821.db2.gz LFAWVWNQEPKJRK-PMXSJFBMSA-N 1 2 381.524 3.706 20 30 GHEDLO C=CCc1cc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3F)C2)c(O)c(OC)c1 ZINC000186952741 862449873 /nfs/dbraw/zinc/44/98/73/862449873.db2.gz VEVIVRBUCVNAEH-FQEVSTJZSA-N 1 2 375.415 3.981 20 30 GHEDLO C=CCc1cc(C[N@H+]2CCO[C@H](c3ccc(F)cc3F)C2)c(O)c(OC)c1 ZINC000186952741 862449886 /nfs/dbraw/zinc/44/98/86/862449886.db2.gz VEVIVRBUCVNAEH-FQEVSTJZSA-N 1 2 375.415 3.981 20 30 GHEDLO C[C@@H](Oc1ccccc1C#N)C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000029780580 853473797 /nfs/dbraw/zinc/47/37/97/853473797.db2.gz ADLOKBOBNDCOFV-HUUCEWRRSA-N 1 2 384.505 3.653 20 30 GHEDLO C[C@@H](Oc1ccccc1C#N)C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000029780580 853473801 /nfs/dbraw/zinc/47/38/01/853473801.db2.gz ADLOKBOBNDCOFV-HUUCEWRRSA-N 1 2 384.505 3.653 20 30 GHEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CCO[C@H](c3cccs3)C1)C2 ZINC000329977631 862472643 /nfs/dbraw/zinc/47/26/43/862472643.db2.gz ZVGQWQJSRXMGNE-GJZGRUSLSA-N 1 2 388.537 3.544 20 30 GHEDLO N#Cc1ccccc1Oc1ccc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)cc1Cl ZINC000587036182 853626895 /nfs/dbraw/zinc/62/68/95/853626895.db2.gz MCFYUHOEIRYESA-MRXNPFEDSA-N 1 2 392.846 3.945 20 30 GHEDLO O=C(N[C@@H]1CCOc2c(Br)cccc21)[C@H]1CCn2cc[nH+]c2C1 ZINC000328652853 854490412 /nfs/dbraw/zinc/49/04/12/854490412.db2.gz KSTLKKIOUKHCOW-SMDDNHRTSA-N 1 2 376.254 3.688 20 30 GHEDLO Cc1ccc(-c2noc(CN3CC[NH+]([C@H](C)c4cccc(C#N)c4)CC3)n2)cc1 ZINC000186288142 854842534 /nfs/dbraw/zinc/84/25/34/854842534.db2.gz WXOVYUQNDLJYJI-GOSISDBHSA-N 1 2 387.487 3.796 20 30 GHEDLO Cc1ccc(-c2csc(NC(=O)C[N@@H+]3CCS[C@@H]4COCC[C@@H]43)n2)cc1 ZINC000330172955 862633482 /nfs/dbraw/zinc/63/34/82/862633482.db2.gz GXQCXQHLGQKSQK-DLBZAZTESA-N 1 2 389.546 3.913 20 30 GHEDLO Cc1ccc(-c2csc(NC(=O)C[N@H+]3CCS[C@@H]4COCC[C@@H]43)n2)cc1 ZINC000330172955 862633486 /nfs/dbraw/zinc/63/34/86/862633486.db2.gz GXQCXQHLGQKSQK-DLBZAZTESA-N 1 2 389.546 3.913 20 30 GHEDLO C#Cc1cccc(N(c2ccc[nH+]c2N)c2ncnc3cc(OC)c(N)cc32)c1 ZINC001212410229 855114747 /nfs/dbraw/zinc/11/47/47/855114747.db2.gz ILVBZSMYXSNGAH-UHFFFAOYSA-N 1 2 382.427 3.649 20 30 GHEDLO Cc1cccn2cc(CCNC(=O)N[C@H](CCCC#N)c3ccccc3)[nH+]c12 ZINC000590070519 855274693 /nfs/dbraw/zinc/27/46/93/855274693.db2.gz BKHHFGYQXRWSCF-HXUWFJFHSA-N 1 2 375.476 3.920 20 30 GHEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCc3sc(Cl)cc32)CCO1 ZINC000330247842 862692794 /nfs/dbraw/zinc/69/27/94/862692794.db2.gz ZAPKYOVOVCKPOZ-KYOSRNDESA-N 1 2 394.928 3.936 20 30 GHEDLO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000465753429 855859193 /nfs/dbraw/zinc/85/91/93/855859193.db2.gz QDQHEHOUNZZYHO-IRLDBZIGSA-N 1 2 385.471 3.854 20 30 GHEDLO N#Cc1ccc(CN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C2CC2)cc1 ZINC000171319422 856087314 /nfs/dbraw/zinc/08/73/14/856087314.db2.gz YXMKFTOGTSFBDV-UHFFFAOYSA-N 1 2 389.434 3.757 20 30 GHEDLO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000158012988 862781686 /nfs/dbraw/zinc/78/16/86/862781686.db2.gz WGXIVBPTJLBUOK-PZJWPPBQSA-N 1 2 380.513 3.991 20 30 GHEDLO CCOCC[NH+]1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)CC1 ZINC000110921773 856707128 /nfs/dbraw/zinc/70/71/28/856707128.db2.gz HAQFAALIGMHOGJ-UHFFFAOYSA-N 1 2 395.528 3.504 20 30 GHEDLO C[C@H](C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1)[N@@H+]1CCc2ccccc2C1 ZINC000760973613 856866227 /nfs/dbraw/zinc/86/62/27/856866227.db2.gz MFXAEHFOKDZKQP-BEFAXECRSA-N 1 2 388.496 3.828 20 30 GHEDLO C[C@H](C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1)[N@H+]1CCc2ccccc2C1 ZINC000760973613 856866238 /nfs/dbraw/zinc/86/62/38/856866238.db2.gz MFXAEHFOKDZKQP-BEFAXECRSA-N 1 2 388.496 3.828 20 30 GHEDLO COCC[N@H+](CC(=O)Nc1ccccc1C(C)(C)C)Cc1ccc(C#N)cc1 ZINC000063754144 857051634 /nfs/dbraw/zinc/05/16/34/857051634.db2.gz NRZSOMAOYVZWQK-UHFFFAOYSA-N 1 2 379.504 3.943 20 30 GHEDLO COCC[N@@H+](CC(=O)Nc1ccccc1C(C)(C)C)Cc1ccc(C#N)cc1 ZINC000063754144 857051637 /nfs/dbraw/zinc/05/16/37/857051637.db2.gz NRZSOMAOYVZWQK-UHFFFAOYSA-N 1 2 379.504 3.943 20 30 GHEDLO Cc1cc(-c2ccc3c(CC#N)c[nH]c3c2)ccc1OCC[NH+]1CCOCC1 ZINC000592986426 857175469 /nfs/dbraw/zinc/17/54/69/857175469.db2.gz NRWAZDRJURUYMR-UHFFFAOYSA-N 1 2 375.472 3.920 20 30 GHEDLO C[C@H](c1nc(-c2cccs2)no1)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000112701379 857189040 /nfs/dbraw/zinc/18/90/40/857189040.db2.gz OXIWVDZGOPKFDW-OAHLLOKOSA-N 1 2 379.489 3.549 20 30 GHEDLO CC(C)C[C@@H](NC(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1)c1ccccc1 ZINC000574174119 857261214 /nfs/dbraw/zinc/26/12/14/857261214.db2.gz HQUNCJQJPAYNLS-OAQYLSRUSA-N 1 2 390.531 3.842 20 30 GHEDLO COc1ccc(C#N)cc1NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282244552 857528856 /nfs/dbraw/zinc/52/88/56/857528856.db2.gz ARNAUUFOXBRKGN-INIZCTEOSA-N 1 2 379.464 3.511 20 30 GHEDLO N#Cc1ccccc1COc1cccc(C(=O)NCCCNc2cccc[nH+]2)c1 ZINC000115161219 858417767 /nfs/dbraw/zinc/41/77/67/858417767.db2.gz ORGLPYSZKJXHEW-UHFFFAOYSA-N 1 2 386.455 3.764 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H](CC(F)(F)F)O1 ZINC000595893381 858708914 /nfs/dbraw/zinc/70/89/14/858708914.db2.gz WLEXASGEGHAFHX-CXAGYDPISA-N 1 2 378.398 3.500 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H](CC(F)(F)F)O1 ZINC000595893381 858708915 /nfs/dbraw/zinc/70/89/15/858708915.db2.gz WLEXASGEGHAFHX-CXAGYDPISA-N 1 2 378.398 3.500 20 30 GHEDLO C[C@H](C#N)C[N@H+](C)CCOc1c(Br)cccc1Br ZINC000482680256 858768285 /nfs/dbraw/zinc/76/82/85/858768285.db2.gz PSCVVKFFUHHTQT-SNVBAGLBSA-N 1 2 376.092 3.682 20 30 GHEDLO C[C@H](C#N)C[N@@H+](C)CCOc1c(Br)cccc1Br ZINC000482680256 858768289 /nfs/dbraw/zinc/76/82/89/858768289.db2.gz PSCVVKFFUHHTQT-SNVBAGLBSA-N 1 2 376.092 3.682 20 30 GHEDLO Cc1cc(N2CCSC[C@@H](C)C2)c(C#N)c(N2CCSC[C@H](C)C2)[nH+]1 ZINC000596205282 858830561 /nfs/dbraw/zinc/83/05/61/858830561.db2.gz HPOYCQIARSMGOU-LSDHHAIUSA-N 1 2 376.595 3.640 20 30 GHEDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)[C@@H](C)CO1 ZINC000596699951 859016153 /nfs/dbraw/zinc/01/61/53/859016153.db2.gz VCEDHJJHTRZSDD-DLBZAZTESA-N 1 2 394.475 3.581 20 30 GHEDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)[C@@H](C)CO1 ZINC000596699951 859016163 /nfs/dbraw/zinc/01/61/63/859016163.db2.gz VCEDHJJHTRZSDD-DLBZAZTESA-N 1 2 394.475 3.581 20 30 GHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCC1(C#N)CCCCC1 ZINC000596861332 859141883 /nfs/dbraw/zinc/14/18/83/859141883.db2.gz JIGNBZCXBWVEQO-UHFFFAOYSA-N 1 2 383.540 3.804 20 30 GHEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 ZINC000611124826 859618649 /nfs/dbraw/zinc/61/86/49/859618649.db2.gz BMNFQSDNZDERKE-INIZCTEOSA-N 1 2 388.431 3.500 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCc3cc(C)ccc3C2)cc1 ZINC000483973912 859734770 /nfs/dbraw/zinc/73/47/70/859734770.db2.gz CNUNYSBBDKNOJX-UHFFFAOYSA-N 1 2 377.488 3.699 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCc3cc(C)ccc3C2)cc1 ZINC000483973912 859734773 /nfs/dbraw/zinc/73/47/73/859734773.db2.gz CNUNYSBBDKNOJX-UHFFFAOYSA-N 1 2 377.488 3.699 20 30 GHEDLO C=CCOc1ccc(-c2nn(CN3CCC[C@H](n4cc[nH+]c4)C3)c(=S)o2)cc1 ZINC000765008797 859734885 /nfs/dbraw/zinc/73/48/85/859734885.db2.gz BSPNDSMWDQDPMY-KRWDZBQOSA-N 1 2 397.504 3.928 20 30 GHEDLO CCOC(=O)c1c[nH+]c2ccccc2c1N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000761239181 859851771 /nfs/dbraw/zinc/85/17/71/859851771.db2.gz BKUVEKYKYLJSMV-OAQYLSRUSA-N 1 2 387.439 3.861 20 30 GHEDLO N#Cc1ccc(Cc2cnc(NC(=O)NCc3ccn4cc[nH+]c4c3)s2)cc1 ZINC000474345278 859890052 /nfs/dbraw/zinc/89/00/52/859890052.db2.gz NGCGRBFODMFGQW-UHFFFAOYSA-N 1 2 388.456 3.575 20 30 GHEDLO C=CC(C)(C)CC(=O)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1 ZINC001125137074 860938534 /nfs/dbraw/zinc/93/85/34/860938534.db2.gz NGIYYKRGTAASHU-UHFFFAOYSA-N 1 2 396.510 3.766 20 30 GHEDLO N#Cc1cc(F)ccc1NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000126287813 861011457 /nfs/dbraw/zinc/01/14/57/861011457.db2.gz OSDCUXONXZSFQC-UXHICEINSA-N 1 2 375.407 3.944 20 30 GHEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000606841637 863871893 /nfs/dbraw/zinc/87/18/93/863871893.db2.gz CVHGCLASRVSSBZ-HNNXBMFYSA-N 1 2 379.382 3.944 20 30 GHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1 ZINC000733991743 863906582 /nfs/dbraw/zinc/90/65/82/863906582.db2.gz PFWRMIAAUNQUDT-INIZCTEOSA-N 1 2 389.377 3.929 20 30 GHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2cccc(C(F)(F)F)n2)cc1 ZINC000733991743 863906593 /nfs/dbraw/zinc/90/65/93/863906593.db2.gz PFWRMIAAUNQUDT-INIZCTEOSA-N 1 2 389.377 3.929 20 30 GHEDLO N#Cc1ccc(CN2CC[NH+]([C@H](CO)c3ccc(Cl)cc3)CC2)c(Cl)c1 ZINC000615224785 863961889 /nfs/dbraw/zinc/96/18/89/863961889.db2.gz FHZIBVWASBQFEK-HXUWFJFHSA-N 1 2 390.314 3.716 20 30 GHEDLO Cc1cc(C#N)cc(NC(=O)N(Cc2ccccc2)[C@H](C)C[NH+]2CCOCC2)c1 ZINC000455982277 865946894 /nfs/dbraw/zinc/94/68/94/865946894.db2.gz HYKDCJLLZMYJJI-LJQANCHMSA-N 1 2 392.503 3.622 20 30 GHEDLO CC[N@H+](C)[C@@H](C(=O)O[C@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000741150479 866292003 /nfs/dbraw/zinc/29/20/03/866292003.db2.gz HESHSWCDWOAAIN-WIYYLYMNSA-N 1 2 393.487 3.558 20 30 GHEDLO CC[N@@H+](C)[C@@H](C(=O)O[C@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000741150479 866292017 /nfs/dbraw/zinc/29/20/17/866292017.db2.gz HESHSWCDWOAAIN-WIYYLYMNSA-N 1 2 393.487 3.558 20 30 GHEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)N(C)CC(=O)Nc1ccccc1CC ZINC000552836848 866327757 /nfs/dbraw/zinc/32/77/57/866327757.db2.gz XODDZZCYSPLECV-QGZVFWFLSA-N 1 2 399.560 3.784 20 30 GHEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)N(C)CC(=O)Nc1ccccc1CC ZINC000552836848 866327769 /nfs/dbraw/zinc/32/77/69/866327769.db2.gz XODDZZCYSPLECV-QGZVFWFLSA-N 1 2 399.560 3.784 20 30 GHEDLO C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)Cc1ccc([S@@](C)=O)cc1 ZINC000154638430 867519235 /nfs/dbraw/zinc/51/92/35/867519235.db2.gz CSYIFQBXISZHPB-SANMLTNESA-N 1 2 381.419 3.806 20 30 GHEDLO C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)Cc1ccc([S@@](C)=O)cc1 ZINC000154638430 867519244 /nfs/dbraw/zinc/51/92/44/867519244.db2.gz CSYIFQBXISZHPB-SANMLTNESA-N 1 2 381.419 3.806 20 30 GHEDLO C[C@H]1C(=O)N(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)[C@@H]1c1ccccc1 ZINC000743362231 868113692 /nfs/dbraw/zinc/11/36/92/868113692.db2.gz JQWMDVMPORCSPF-VGSWGCGISA-N 1 2 375.472 3.579 20 30 GHEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@H](c3ccccc3)OC[C@H]2C)c(OC)c1 ZINC000524177899 868659572 /nfs/dbraw/zinc/65/95/72/868659572.db2.gz QKOXDVLQYRTFMM-MEKIYTOJSA-N 1 2 397.515 3.625 20 30 GHEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2C[C@H](c3ccccc3)OC[C@H]2C)c(OC)c1 ZINC000524177899 868659583 /nfs/dbraw/zinc/65/95/83/868659583.db2.gz QKOXDVLQYRTFMM-MEKIYTOJSA-N 1 2 397.515 3.625 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cn(CCC#N)nc2-c2ccccc2)c1 ZINC000092142952 882281169 /nfs/dbraw/zinc/28/11/69/882281169.db2.gz IKOWVUXLIVDWFG-UHFFFAOYSA-N 1 2 397.482 3.516 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cn(CCC#N)nc2-c2ccccc2)c1 ZINC000092142952 882281176 /nfs/dbraw/zinc/28/11/76/882281176.db2.gz IKOWVUXLIVDWFG-UHFFFAOYSA-N 1 2 397.482 3.516 20 30 GHEDLO C=CC[N@@H+](CCOC)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000191142292 882366904 /nfs/dbraw/zinc/36/69/04/882366904.db2.gz HZGKGVAVVPJRBJ-MRXNPFEDSA-N 1 2 389.546 3.622 20 30 GHEDLO C=CC[N@H+](CCOC)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000191142292 882366922 /nfs/dbraw/zinc/36/69/22/882366922.db2.gz HZGKGVAVVPJRBJ-MRXNPFEDSA-N 1 2 389.546 3.622 20 30 GHEDLO C=CCc1cc(CNc2[nH+]cnc3c2cnn3C(C)(C)C)cc(OC)c1OC ZINC000766404689 870704551 /nfs/dbraw/zinc/70/45/51/870704551.db2.gz RUKMIYVITXUNHR-UHFFFAOYSA-N 1 2 381.480 3.939 20 30 GHEDLO C[C@@H](C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc(C#N)c1 ZINC000463594699 872117575 /nfs/dbraw/zinc/11/75/75/872117575.db2.gz VXRVBWMDNBYGDZ-KZNAEPCWSA-N 1 2 377.488 3.910 20 30 GHEDLO COc1ccc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1OCCCC#N ZINC000093443798 872191206 /nfs/dbraw/zinc/19/12/06/872191206.db2.gz QXBIEIKSZNZWJI-UHFFFAOYSA-N 1 2 381.432 3.844 20 30 GHEDLO COc1ccc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1OCCCC#N ZINC000093443798 872191211 /nfs/dbraw/zinc/19/12/11/872191211.db2.gz QXBIEIKSZNZWJI-UHFFFAOYSA-N 1 2 381.432 3.844 20 30 GHEDLO C[C@@H](NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1cccc(C#N)c1 ZINC000619033315 872247425 /nfs/dbraw/zinc/24/74/25/872247425.db2.gz WZAISJCTXQZJIE-MRXNPFEDSA-N 1 2 377.492 3.741 20 30 GHEDLO C=CCOc1cc(OC)ccc1C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000463673215 872306740 /nfs/dbraw/zinc/30/67/40/872306740.db2.gz PAMNOSLJPQLXKQ-INIZCTEOSA-N 1 2 386.517 3.841 20 30 GHEDLO C=CC[N@H+](CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1)[C@H](C)COC ZINC001196048414 872856208 /nfs/dbraw/zinc/85/62/08/872856208.db2.gz UODDHNBRBUNUMU-WIYYLYMNSA-N 1 2 395.503 3.789 20 30 GHEDLO C=CC[N@@H+](CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1)[C@H](C)COC ZINC001196048414 872856217 /nfs/dbraw/zinc/85/62/17/872856217.db2.gz UODDHNBRBUNUMU-WIYYLYMNSA-N 1 2 395.503 3.789 20 30 GHEDLO C[C@H](NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1cccc(C#N)c1 ZINC000619695952 872884673 /nfs/dbraw/zinc/88/46/73/872884673.db2.gz ZBJUXPOHRHSHIL-QFBILLFUSA-N 1 2 377.492 3.741 20 30 GHEDLO N#Cc1ccc(CSc2ccccc2C(=O)N2CCc3[nH+]ccn3CC2)cc1 ZINC001196159230 872919166 /nfs/dbraw/zinc/91/91/66/872919166.db2.gz ZBXMTDGRHDQFAH-UHFFFAOYSA-N 1 2 388.496 3.746 20 30 GHEDLO N#Cc1ccc(CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1Cl ZINC000619749876 872986083 /nfs/dbraw/zinc/98/60/83/872986083.db2.gz CDZZEHJUADQPGO-UHFFFAOYSA-N 1 2 389.912 3.976 20 30 GHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858013061 882720229 /nfs/dbraw/zinc/72/02/29/882720229.db2.gz GILZVXYJRBLJBS-JXFKEZNVSA-N 1 2 390.487 3.701 20 30 GHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858013061 882720239 /nfs/dbraw/zinc/72/02/39/882720239.db2.gz GILZVXYJRBLJBS-JXFKEZNVSA-N 1 2 390.487 3.701 20 30 GHEDLO CC[C@@H]1C[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)CCS1 ZINC000464790363 874503669 /nfs/dbraw/zinc/50/36/69/874503669.db2.gz QPTWANOHZVPNIL-LJQANCHMSA-N 1 2 396.560 3.791 20 30 GHEDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)CCS1 ZINC000464790363 874503681 /nfs/dbraw/zinc/50/36/81/874503681.db2.gz QPTWANOHZVPNIL-LJQANCHMSA-N 1 2 396.560 3.791 20 30 GHEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000770688538 874838473 /nfs/dbraw/zinc/83/84/73/874838473.db2.gz MMPPZBYJCDXGHI-PNZYDNNZSA-N 1 2 388.511 3.998 20 30 GHEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000770688538 874838487 /nfs/dbraw/zinc/83/84/87/874838487.db2.gz MMPPZBYJCDXGHI-PNZYDNNZSA-N 1 2 388.511 3.998 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1CCN(c2[nH+]cccc2Nc2ccc(C#N)cc2F)C1 ZINC001201561192 875753344 /nfs/dbraw/zinc/75/33/44/875753344.db2.gz FTOKTERWMIRXMZ-OAHLLOKOSA-N 1 2 397.454 3.939 20 30 GHEDLO C=CCn1c(-c2ccccc2F)nn(CN2CCC(n3cc[nH+]c3)CC2)c1=S ZINC000152100315 876834028 /nfs/dbraw/zinc/83/40/28/876834028.db2.gz PBFRBERFOPFFQB-UHFFFAOYSA-N 1 2 398.511 3.897 20 30 GHEDLO CC(C)[C@H]([NH2+]Cc1cc(C#N)ccc1Br)c1nnc2ccccn21 ZINC000492604391 877173954 /nfs/dbraw/zinc/17/39/54/877173954.db2.gz FAZANCAVBKAEAA-KRWDZBQOSA-N 1 2 384.281 3.850 20 30 GHEDLO C=C(C)C[C@@H](C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787390948 877389512 /nfs/dbraw/zinc/38/95/12/877389512.db2.gz VDSCJJMDHUJMDC-CQSZACIVSA-N 1 2 380.330 3.742 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC3(CC2)OCCc2ccsc23)c(C#N)c1C ZINC000492973268 877915613 /nfs/dbraw/zinc/91/56/13/877915613.db2.gz PYGDKOZSCTYQLQ-AWEZNQCLSA-N 1 2 399.516 3.721 20 30 GHEDLO C[N@@H+](Cc1ncc(Br)cc1Cl)C[C@@H](O)c1cccc(C#N)c1 ZINC000852210509 878143520 /nfs/dbraw/zinc/14/35/20/878143520.db2.gz GXQRUMFBHMNEHJ-MRXNPFEDSA-N 1 2 380.673 3.535 20 30 GHEDLO C[N@H+](Cc1ncc(Br)cc1Cl)C[C@@H](O)c1cccc(C#N)c1 ZINC000852210509 878143532 /nfs/dbraw/zinc/14/35/32/878143532.db2.gz GXQRUMFBHMNEHJ-MRXNPFEDSA-N 1 2 380.673 3.535 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)c(C)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538030121 878700059 /nfs/dbraw/zinc/70/00/59/878700059.db2.gz VWVYAGAYKORDHS-HKUYNNGSSA-N 1 2 386.858 3.620 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)c(C)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538030121 878700072 /nfs/dbraw/zinc/70/00/72/878700072.db2.gz VWVYAGAYKORDHS-HKUYNNGSSA-N 1 2 386.858 3.620 20 30 GHEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)c(C)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538030122 878700252 /nfs/dbraw/zinc/70/02/52/878700252.db2.gz VWVYAGAYKORDHS-IEBWSBKVSA-N 1 2 386.858 3.620 20 30 GHEDLO CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)c(C)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538030122 878700262 /nfs/dbraw/zinc/70/02/62/878700262.db2.gz VWVYAGAYKORDHS-IEBWSBKVSA-N 1 2 386.858 3.620 20 30 GHEDLO Cn1cc[nH+]c1NN=Cc1cc(Br)ccc1OCc1ccccn1 ZINC000790300466 879606014 /nfs/dbraw/zinc/60/60/14/879606014.db2.gz YVOXXSLZWYQXGB-UHFFFAOYSA-N 1 2 386.253 3.603 20 30 GHEDLO N#Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CC=C(c4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC000531441798 879861399 /nfs/dbraw/zinc/86/13/99/879861399.db2.gz BAHPZKFXAWMMGT-FQEVSTJZSA-N 1 2 391.858 3.633 20 30 GHEDLO N#Cc1ccc(N2C(=O)C[C@H]([N@H+]3CC=C(c4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC000531441798 879861418 /nfs/dbraw/zinc/86/14/18/879861418.db2.gz BAHPZKFXAWMMGT-FQEVSTJZSA-N 1 2 391.858 3.633 20 30 GHEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1cc(Cl)cn1C ZINC000120115895 881269122 /nfs/dbraw/zinc/26/91/22/881269122.db2.gz PZXSVSVNPOUUBY-CQSZACIVSA-N 1 2 376.863 3.585 20 30 GHEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120115895 881269134 /nfs/dbraw/zinc/26/91/34/881269134.db2.gz PZXSVSVNPOUUBY-CQSZACIVSA-N 1 2 376.863 3.585 20 30 GHEDLO NC(=[NH+]OCc1csc(C2CC2)n1)c1ccc(OCc2cccnc2)cc1 ZINC000153172868 883202668 /nfs/dbraw/zinc/20/26/68/883202668.db2.gz HWBWJHGOMRZYQO-UHFFFAOYSA-N 1 2 380.473 3.832 20 30 GHEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](C/C=C\c2ccc(F)cc2)CC1 ZINC000508642537 883510928 /nfs/dbraw/zinc/51/09/28/883510928.db2.gz ADHCIBJXKVOKOT-IWQZZHSRSA-N 1 2 378.407 3.781 20 30 GHEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000609683428 883540711 /nfs/dbraw/zinc/54/07/11/883540711.db2.gz VPONBZFGOQAOJZ-UHFFFAOYSA-N 1 2 375.432 3.853 20 30 GHEDLO C#C[C@H](NC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccc(Cl)cc1F ZINC000805775510 884056352 /nfs/dbraw/zinc/05/63/52/884056352.db2.gz HIHABZKVKDZMLY-SFHVURJKSA-N 1 2 391.899 3.742 20 30 GHEDLO COc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1Cl ZINC000761758117 884073131 /nfs/dbraw/zinc/07/31/31/884073131.db2.gz QGBGXLFYWLNVLG-HXUWFJFHSA-N 1 2 399.878 3.622 20 30 GHEDLO COc1ccc(NC(=O)CC[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1Cl ZINC000761758117 884073142 /nfs/dbraw/zinc/07/31/42/884073142.db2.gz QGBGXLFYWLNVLG-HXUWFJFHSA-N 1 2 399.878 3.622 20 30 GHEDLO Cn1cc(N[NH+]=CC2=C(N3CCOCC3)C(=Cc3ccc(Cl)cc3)CC2)cn1 ZINC000761864324 884896866 /nfs/dbraw/zinc/89/68/66/884896866.db2.gz HTGPWTWPRMSBKW-SWQCHLMMSA-N 1 2 397.910 3.935 20 30 GHEDLO Cc1[nH]c2ccc(C#N)cc2c1CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001183887275 912874523 /nfs/dbraw/zinc/87/45/23/912874523.db2.gz IVFWROBJURDGFX-VMPITWQZSA-N 1 2 398.510 3.748 20 30 GHEDLO CC(C)c1ccc(OCCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000498582352 884927963 /nfs/dbraw/zinc/92/79/63/884927963.db2.gz DLEILSJSSAEIHE-UHFFFAOYSA-N 1 2 391.515 3.795 20 30 GHEDLO N#Cc1cccc(NC(=O)C[N@@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000532551946 886016766 /nfs/dbraw/zinc/01/67/66/886016766.db2.gz JOUWKXKULWYQEN-UHFFFAOYSA-N 1 2 392.286 3.688 20 30 GHEDLO N#Cc1cccc(NC(=O)C[N@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000532551946 886016773 /nfs/dbraw/zinc/01/67/73/886016773.db2.gz JOUWKXKULWYQEN-UHFFFAOYSA-N 1 2 392.286 3.688 20 30 GHEDLO C=CCSc1ccccc1NC(=O)CN1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000118835625 886278391 /nfs/dbraw/zinc/27/83/91/886278391.db2.gz JBIOSASRKPBOJT-GOSISDBHSA-N 1 2 396.560 3.677 20 30 GHEDLO Cc1cc(C(N)=[NH+]OCC(=O)N[C@H](c2cccs2)C(C)(C)C)ccc1F ZINC000762708861 886746383 /nfs/dbraw/zinc/74/63/83/886746383.db2.gz HAENFEMKEPXNSJ-QGZVFWFLSA-N 1 2 377.485 3.736 20 30 GHEDLO C[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccc(C#N)cc1 ZINC000536534191 886835072 /nfs/dbraw/zinc/83/50/72/886835072.db2.gz SACVMAYSSVFYBT-MRFFXTKBSA-N 1 2 384.430 3.642 20 30 GHEDLO C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccc(C#N)cc1 ZINC000536534191 886835084 /nfs/dbraw/zinc/83/50/84/886835084.db2.gz SACVMAYSSVFYBT-MRFFXTKBSA-N 1 2 384.430 3.642 20 30 GHEDLO CCn1cc([C@@H](O)C[N@H+](Cc2ccccc2)Cc2cccc(F)c2C#N)cn1 ZINC000794529294 887127975 /nfs/dbraw/zinc/12/79/75/887127975.db2.gz COHRXFSNOLVZPH-QFIPXVFZSA-N 1 2 378.451 3.650 20 30 GHEDLO CCn1cc([C@@H](O)C[N@@H+](Cc2ccccc2)Cc2cccc(F)c2C#N)cn1 ZINC000794529294 887127978 /nfs/dbraw/zinc/12/79/78/887127978.db2.gz COHRXFSNOLVZPH-QFIPXVFZSA-N 1 2 378.451 3.650 20 30 GHEDLO N#Cc1ccc(OC(F)F)c(NC(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000105036603 887295301 /nfs/dbraw/zinc/29/53/01/887295301.db2.gz VHPNALVWEZDJSI-UHFFFAOYSA-N 1 2 375.379 3.568 20 30 GHEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH2+]C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000459347506 887535954 /nfs/dbraw/zinc/53/59/54/887535954.db2.gz FYXSFGGQTLOWPD-UHFFFAOYSA-N 1 2 379.416 3.797 20 30 GHEDLO COc1ccccc1COC1CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459367475 887743549 /nfs/dbraw/zinc/74/35/49/887743549.db2.gz FIVDSQFBQLWURV-UHFFFAOYSA-N 1 2 381.432 3.656 20 30 GHEDLO C#CC[C@@H]([NH2+]Cc1cn(-c2ccccc2Br)nn1)c1ccccc1 ZINC000810150790 888239480 /nfs/dbraw/zinc/23/94/80/888239480.db2.gz LJRVPYWIBFLXTQ-GOSISDBHSA-N 1 2 381.277 3.884 20 30 GHEDLO C#C[C@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000811854155 890048183 /nfs/dbraw/zinc/04/81/83/890048183.db2.gz HMOALNPGPQARNV-FQEVSTJZSA-N 1 2 378.863 3.759 20 30 GHEDLO N#Cc1ccc(NC(=O)N2CC[NH+](CCCC(=O)c3ccc(F)cc3)CC2)cc1 ZINC001184749244 913410418 /nfs/dbraw/zinc/41/04/18/913410418.db2.gz DOVXTFLVZMLQRX-UHFFFAOYSA-N 1 2 394.450 3.510 20 30 GHEDLO CC1(C)C[N@H+](CC#Cc2ccc(F)cc2)CCN1CC#Cc1ccc(F)cc1 ZINC000126556716 890590928 /nfs/dbraw/zinc/59/09/28/890590928.db2.gz INTSBCREOBOLSV-UHFFFAOYSA-N 1 2 378.466 3.764 20 30 GHEDLO CC1(C)C[N@@H+](CC#Cc2ccc(F)cc2)CCN1CC#Cc1ccc(F)cc1 ZINC000126556716 890590942 /nfs/dbraw/zinc/59/09/42/890590942.db2.gz INTSBCREOBOLSV-UHFFFAOYSA-N 1 2 378.466 3.764 20 30 GHEDLO CC1(C)CN(CC#Cc2ccc(F)cc2)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000126556716 890590954 /nfs/dbraw/zinc/59/09/54/890590954.db2.gz INTSBCREOBOLSV-UHFFFAOYSA-N 1 2 378.466 3.764 20 30 GHEDLO CC1(C)CN(CC#Cc2ccc(F)cc2)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000126556716 890590968 /nfs/dbraw/zinc/59/09/68/890590968.db2.gz INTSBCREOBOLSV-UHFFFAOYSA-N 1 2 378.466 3.764 20 30 GHEDLO CCN(C[C@H](C)C#N)C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000126913969 890815659 /nfs/dbraw/zinc/81/56/59/890815659.db2.gz MSOVQRYNKJGXNQ-RHSMWYFYSA-N 1 2 378.314 3.594 20 30 GHEDLO C#C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccc(F)cc1 ZINC000812895989 891111744 /nfs/dbraw/zinc/11/17/44/891111744.db2.gz SFIZCWZRBAWKRY-SLFFLAALSA-N 1 2 387.405 3.523 20 30 GHEDLO C#C[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccc(F)cc1 ZINC000812895989 891111746 /nfs/dbraw/zinc/11/17/46/891111746.db2.gz SFIZCWZRBAWKRY-SLFFLAALSA-N 1 2 387.405 3.523 20 30 GHEDLO C=C[C@@H](CC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1)c1ccccc1 ZINC000128093988 891412357 /nfs/dbraw/zinc/41/23/57/891412357.db2.gz YHRMDAQOCHIURN-IBGZPJMESA-N 1 2 391.515 3.566 20 30 GHEDLO COc1ccc([C@@H]2CCCCCN2C(=O)CO[NH+]=C(N)c2ccc(F)cc2)cc1 ZINC000774800448 913557081 /nfs/dbraw/zinc/55/70/81/913557081.db2.gz ZMVWNKWXJODANX-FQEVSTJZSA-N 1 2 399.466 3.615 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCCN(c3ccc(C)cc3)CC2)c(C#N)c1C ZINC000917211854 891629765 /nfs/dbraw/zinc/62/97/65/891629765.db2.gz LXSMVXJWXASQEY-KRWDZBQOSA-N 1 2 380.492 3.616 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCCN(c3ccc(C)cc3)CC2)c(C#N)c1C ZINC000917211854 891629770 /nfs/dbraw/zinc/62/97/70/891629770.db2.gz LXSMVXJWXASQEY-KRWDZBQOSA-N 1 2 380.492 3.616 20 30 GHEDLO C=CCCc1ccc(S(=O)(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC001185012737 913578845 /nfs/dbraw/zinc/57/88/45/913578845.db2.gz ZPTFNYKOVDLCKC-UHFFFAOYSA-N 1 2 381.501 3.529 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000121954957 891966125 /nfs/dbraw/zinc/96/61/25/891966125.db2.gz GNQDVRUDFHOVKA-OAQYLSRUSA-N 1 2 383.879 3.596 20 30 GHEDLO Cc1ccc(N2CCC(O/C(=N\O)c3ccccc3Br)CC2)[nH+]c1 ZINC001223885708 892257416 /nfs/dbraw/zinc/25/74/16/892257416.db2.gz HAQZCTXWNJMXSJ-UZYVYHOESA-N 1 2 390.281 3.974 20 30 GHEDLO CCN(CC)C(=O)COc1ccc(C(=O)/C=C/c2c[nH+]c3c(C)cccn23)cc1 ZINC000125302449 892461762 /nfs/dbraw/zinc/46/17/62/892461762.db2.gz QIXWCTCHCCIFHZ-JLHYYAGUSA-N 1 2 391.471 3.786 20 30 GHEDLO Cc1cccn2c(/C=C/C(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)c[nH+]c12 ZINC000125367304 892549492 /nfs/dbraw/zinc/54/94/92/892549492.db2.gz CDXPCDNNDCFPAT-VOTSOKGWSA-N 1 2 380.360 3.972 20 30 GHEDLO Cn1nccc1[C@@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCO1 ZINC000933539725 893067621 /nfs/dbraw/zinc/06/76/21/893067621.db2.gz UBEPZLMDRXQPCZ-QHCPKHFHSA-N 1 2 386.499 3.693 20 30 GHEDLO Cn1nccc1[C@@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCO1 ZINC000933539725 893067641 /nfs/dbraw/zinc/06/76/41/893067641.db2.gz UBEPZLMDRXQPCZ-QHCPKHFHSA-N 1 2 386.499 3.693 20 30 GHEDLO N#Cc1ccc([C@@H]2C[N@H+](CCCc3nc(-c4cccs4)no3)CCO2)cc1 ZINC000933623644 893106261 /nfs/dbraw/zinc/10/62/61/893106261.db2.gz DJUZQHKCYFFMNC-KRWDZBQOSA-N 1 2 380.473 3.676 20 30 GHEDLO N#Cc1ccc([C@@H]2C[N@@H+](CCCc3nc(-c4cccs4)no3)CCO2)cc1 ZINC000933623644 893106266 /nfs/dbraw/zinc/10/62/66/893106266.db2.gz DJUZQHKCYFFMNC-KRWDZBQOSA-N 1 2 380.473 3.676 20 30 GHEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000455762400 893228554 /nfs/dbraw/zinc/22/85/54/893228554.db2.gz BELSHJJQBWEONK-UHFFFAOYSA-N 1 2 381.480 3.932 20 30 GHEDLO CN(C)c1ncc(C=[NH+]Nc2c(Br)cccc2Br)cn1 ZINC000814924306 893274813 /nfs/dbraw/zinc/27/48/13/893274813.db2.gz JSXYGRLDBRAKTP-UHFFFAOYSA-N 1 2 399.090 3.514 20 30 GHEDLO C[N@H+](Cc1ccc(C#N)cc1Br)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000778221655 893380480 /nfs/dbraw/zinc/38/04/80/893380480.db2.gz VZCLSESZYYHARP-OAHLLOKOSA-N 1 2 394.313 3.762 20 30 GHEDLO C[N@@H+](Cc1ccc(C#N)cc1Br)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000778221655 893380498 /nfs/dbraw/zinc/38/04/98/893380498.db2.gz VZCLSESZYYHARP-OAHLLOKOSA-N 1 2 394.313 3.762 20 30 GHEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)c2ccccc2Cl)CC1 ZINC000934425102 893632419 /nfs/dbraw/zinc/63/24/19/893632419.db2.gz JCGWICASKOMSPK-VFNWGFHPSA-N 1 2 389.927 3.678 20 30 GHEDLO N#Cc1ccc(OC2CCC([NH2+]Cc3cc(Cl)c(F)cc3O)CC2)nc1 ZINC000816558599 894944620 /nfs/dbraw/zinc/94/46/20/894944620.db2.gz GDZSKFWDOOOMJH-UHFFFAOYSA-N 1 2 375.831 3.931 20 30 GHEDLO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](c2ncc[nH]2)c2ccccc2)ccc1OC ZINC000127907926 895192343 /nfs/dbraw/zinc/19/23/43/895192343.db2.gz YSLHKIVYPWJZCZ-NQIIRXRSSA-N 1 2 376.460 3.978 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)n2)C1 ZINC000564710768 895202036 /nfs/dbraw/zinc/20/20/36/895202036.db2.gz OFQBTGOMNWOHDG-MDASCCDHSA-N 1 2 380.517 3.989 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)n2)C1 ZINC000564710768 895202052 /nfs/dbraw/zinc/20/20/52/895202052.db2.gz OFQBTGOMNWOHDG-MDASCCDHSA-N 1 2 380.517 3.989 20 30 GHEDLO COC[C@@H](C)n1c(C)cc(C(=O)C[N@@H+]2CCc3c(CC#N)cccc3C2)c1C ZINC000626129999 895395461 /nfs/dbraw/zinc/39/54/61/895395461.db2.gz FXFASOKTYMAXNB-QGZVFWFLSA-N 1 2 379.504 3.619 20 30 GHEDLO COC[C@@H](C)n1c(C)cc(C(=O)C[N@H+]2CCc3c(CC#N)cccc3C2)c1C ZINC000626129999 895395477 /nfs/dbraw/zinc/39/54/77/895395477.db2.gz FXFASOKTYMAXNB-QGZVFWFLSA-N 1 2 379.504 3.619 20 30 GHEDLO N#Cc1c(N2CC[NH+](Cc3ccc(Cl)s3)CC2)nc2cc(Cl)ccn12 ZINC000565379337 895577106 /nfs/dbraw/zinc/57/71/06/895577106.db2.gz AWJVKHBDUUTUQG-UHFFFAOYSA-N 1 2 392.315 3.896 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@@H](c3nccs3)C2)c1C#N ZINC000880319107 895634883 /nfs/dbraw/zinc/63/48/83/895634883.db2.gz TYQFSYCMMJVRGL-MRXNPFEDSA-N 1 2 397.548 3.976 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC[C@@H](c3nccs3)C2)c1C#N ZINC000880319107 895634886 /nfs/dbraw/zinc/63/48/86/895634886.db2.gz TYQFSYCMMJVRGL-MRXNPFEDSA-N 1 2 397.548 3.976 20 30 GHEDLO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000565849750 895929210 /nfs/dbraw/zinc/92/92/10/895929210.db2.gz JKLBCDGVPZDWMP-KRWDZBQOSA-N 1 2 393.487 3.949 20 30 GHEDLO C[N@@H+]1CCO[C@H]([C@@H](Nc2ncc3c(c2C#N)CCC3)c2ccc(Cl)cc2)C1 ZINC000566135650 896133333 /nfs/dbraw/zinc/13/33/33/896133333.db2.gz NQIYOJOPCSOLEA-PMACEKPBSA-N 1 2 382.895 3.579 20 30 GHEDLO C[N@H+]1CCO[C@H]([C@@H](Nc2ncc3c(c2C#N)CCC3)c2ccc(Cl)cc2)C1 ZINC000566135650 896133336 /nfs/dbraw/zinc/13/33/36/896133336.db2.gz NQIYOJOPCSOLEA-PMACEKPBSA-N 1 2 382.895 3.579 20 30 GHEDLO COc1cc(CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)ccc1C#N ZINC000567033906 896817599 /nfs/dbraw/zinc/81/75/99/896817599.db2.gz HLARDSKTSRCTSK-UHFFFAOYSA-N 1 2 399.454 3.804 20 30 GHEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000567607487 897291455 /nfs/dbraw/zinc/29/14/55/897291455.db2.gz XXSFZIAMKZLUQZ-QZHFEQFPSA-N 1 2 395.906 3.505 20 30 GHEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000567607487 897291467 /nfs/dbraw/zinc/29/14/67/897291467.db2.gz XXSFZIAMKZLUQZ-QZHFEQFPSA-N 1 2 395.906 3.505 20 30 GHEDLO Cc1sc2nc(C[NH+](C)C)nc(NC(=N)c3ccc4ccccc4n3)c2c1C ZINC001171046126 899397455 /nfs/dbraw/zinc/39/74/55/899397455.db2.gz IWYSXPZUCLHYIA-UHFFFAOYSA-N 1 2 390.516 3.955 20 30 GHEDLO C#CC[N@H+](Cc1cnn2c1CCC2)[C@@H]1CCOc2ccc(Br)cc21 ZINC000824802811 899817566 /nfs/dbraw/zinc/81/75/66/899817566.db2.gz PUIHBUGLKUKUDZ-GOSISDBHSA-N 1 2 386.293 3.551 20 30 GHEDLO C#CC[N@@H+](Cc1cnn2c1CCC2)[C@@H]1CCOc2ccc(Br)cc21 ZINC000824802811 899817574 /nfs/dbraw/zinc/81/75/74/899817574.db2.gz PUIHBUGLKUKUDZ-GOSISDBHSA-N 1 2 386.293 3.551 20 30 GHEDLO N#Cc1cccc(C[NH2+]Cc2ncc(Br)cc2Br)c1 ZINC000135293788 900217725 /nfs/dbraw/zinc/21/77/25/900217725.db2.gz FDOKWUUQYCZRAR-UHFFFAOYSA-N 1 2 381.071 3.768 20 30 GHEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CCC[C@@]2(C[C@H](OCc3ccncc3)CO2)C1 ZINC001143723925 900442450 /nfs/dbraw/zinc/44/24/50/900442450.db2.gz KJXFDWVVPVEHKU-SIKLNZKXSA-N 1 2 397.906 3.947 20 30 GHEDLO N#Cc1cccc(Cl)c1C[N@H+]1CCC[C@@]2(C[C@H](OCc3ccncc3)CO2)C1 ZINC001143723925 900442459 /nfs/dbraw/zinc/44/24/59/900442459.db2.gz KJXFDWVVPVEHKU-SIKLNZKXSA-N 1 2 397.906 3.947 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844437583 900858362 /nfs/dbraw/zinc/85/83/62/900858362.db2.gz NXLURBLKJSREQX-RDTXWAMCSA-N 1 2 379.476 3.998 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844437583 900858366 /nfs/dbraw/zinc/85/83/66/900858366.db2.gz NXLURBLKJSREQX-RDTXWAMCSA-N 1 2 379.476 3.998 20 30 GHEDLO COc1cccc(C[C@H]2CN(CC3(CC#N)CC3)CC[N@@H+]2CC2(CC#N)CC2)c1 ZINC000886386699 900972858 /nfs/dbraw/zinc/97/28/58/900972858.db2.gz DAYBTYVGMLEDME-NRFANRHFSA-N 1 2 392.547 3.612 20 30 GHEDLO COc1cccc(C[C@H]2CN(CC3(CC#N)CC3)CC[N@H+]2CC2(CC#N)CC2)c1 ZINC000886386699 900972866 /nfs/dbraw/zinc/97/28/66/900972866.db2.gz DAYBTYVGMLEDME-NRFANRHFSA-N 1 2 392.547 3.612 20 30 GHEDLO Cc1[nH]c(C2CCN(CC(=O)N(CCC#N)c3cccc(C)c3C)CC2)[nH+]c1C ZINC000886667601 901215460 /nfs/dbraw/zinc/21/54/60/901215460.db2.gz DJOPZWCRZYSHQY-UHFFFAOYSA-N 1 2 393.535 3.770 20 30 GHEDLO CSc1ccc([C@H](C)NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000047054851 901276111 /nfs/dbraw/zinc/27/61/11/901276111.db2.gz FMPBXFUGAWKTSS-KRWDZBQOSA-N 1 2 394.544 3.869 20 30 GHEDLO COCC[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccc(C)c(C)c1 ZINC000887108428 901440346 /nfs/dbraw/zinc/44/03/46/901440346.db2.gz ISSBPPLXMAGRFB-UHFFFAOYSA-N 1 2 376.460 3.874 20 30 GHEDLO COCC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccc(C)c(C)c1 ZINC000887108428 901440358 /nfs/dbraw/zinc/44/03/58/901440358.db2.gz ISSBPPLXMAGRFB-UHFFFAOYSA-N 1 2 376.460 3.874 20 30 GHEDLO Cc1ccc([C@@H](CNc2nc3cc(Cl)ccn3c2C#N)[NH+]2CCOCC2)cc1 ZINC000575929261 901483873 /nfs/dbraw/zinc/48/38/73/901483873.db2.gz UUTIRGMECZZYPV-LJQANCHMSA-N 1 2 395.894 3.653 20 30 GHEDLO N#Cc1ccc(COC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000845120706 901803304 /nfs/dbraw/zinc/80/33/04/901803304.db2.gz BEGRVJHYIRRMBS-IBGZPJMESA-N 1 2 379.416 3.564 20 30 GHEDLO N#Cc1ccc(COC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000845120706 901803312 /nfs/dbraw/zinc/80/33/12/901803312.db2.gz BEGRVJHYIRRMBS-IBGZPJMESA-N 1 2 379.416 3.564 20 30 GHEDLO C=CCc1cc(C[N@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc(OC)c1O ZINC000125901125 902264985 /nfs/dbraw/zinc/26/49/85/902264985.db2.gz MYKUQGVFPUPFIB-OAHLLOKOSA-N 1 2 389.517 3.726 20 30 GHEDLO C=CCc1cc(C[N@@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc(OC)c1O ZINC000125901125 902264996 /nfs/dbraw/zinc/26/49/96/902264996.db2.gz MYKUQGVFPUPFIB-OAHLLOKOSA-N 1 2 389.517 3.726 20 30 GHEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)C1=O ZINC000577589876 902925874 /nfs/dbraw/zinc/92/58/74/902925874.db2.gz TVDHSIUOOUHAAQ-KGLIPLIRSA-N 1 2 383.439 3.780 20 30 GHEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)C1=O ZINC000577589876 902925883 /nfs/dbraw/zinc/92/58/83/902925883.db2.gz TVDHSIUOOUHAAQ-KGLIPLIRSA-N 1 2 383.439 3.780 20 30 GHEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(c2ccc3cccnc3n2)CC1 ZINC000847035608 903388367 /nfs/dbraw/zinc/38/83/67/903388367.db2.gz RJQUCSDSIDOBSE-OAQYLSRUSA-N 1 2 386.455 3.595 20 30 GHEDLO C[C@H](c1nnc(Sc2cc(C#N)ncn2)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000578480666 903885560 /nfs/dbraw/zinc/88/55/60/903885560.db2.gz QVHPIMNWFWWJDB-OAHLLOKOSA-N 1 2 391.504 3.627 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH+]1CCC(CC(F)(F)F)CC1 ZINC000578652167 904028405 /nfs/dbraw/zinc/02/84/05/904028405.db2.gz BKIBVLQIVUDFMR-HNNXBMFYSA-N 1 2 397.441 3.995 20 30 GHEDLO C=CCn1c(-c2cccc(Cl)c2)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000578965867 904264010 /nfs/dbraw/zinc/26/40/10/904264010.db2.gz GVQCJMAEDIDPMU-UHFFFAOYSA-N 1 2 394.910 3.502 20 30 GHEDLO N#Cc1ccc(CN(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)C2CC2)cc1 ZINC000890255658 904962860 /nfs/dbraw/zinc/96/28/60/904962860.db2.gz WMJYZFKTMNYWJF-QFIPXVFZSA-N 1 2 385.471 3.870 20 30 GHEDLO CCOC(=O)c1c(C[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)occ1C(F)(F)F ZINC001171791714 905049488 /nfs/dbraw/zinc/04/94/88/905049488.db2.gz NYGICTRYIOMLMT-OAHLLOKOSA-N 1 2 396.365 3.512 20 30 GHEDLO CCOC(=O)c1c(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)occ1C(F)(F)F ZINC001171791714 905049494 /nfs/dbraw/zinc/04/94/94/905049494.db2.gz NYGICTRYIOMLMT-OAHLLOKOSA-N 1 2 396.365 3.512 20 30 GHEDLO CC(C)c1noc([C@@H](C)O[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)n1 ZINC000174116174 905205882 /nfs/dbraw/zinc/20/58/82/905205882.db2.gz QNGUTSWOGVECKN-CQSZACIVSA-N 1 2 381.436 3.565 20 30 GHEDLO C#CCCOc1ccc(C[NH2+][C@@H](C)c2nc(-c3cccc(OC)c3)no2)cc1 ZINC000174656507 905317912 /nfs/dbraw/zinc/31/79/12/905317912.db2.gz ZMRVXFSCXDURIQ-INIZCTEOSA-N 1 2 377.444 3.998 20 30 GHEDLO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](Cc1ccc(O)cc1)C(=O)OC(C)(C)C ZINC001172301565 905455280 /nfs/dbraw/zinc/45/52/80/905455280.db2.gz RIMCQVZBMGZEFA-KKSFZXQISA-N 1 2 380.488 3.737 20 30 GHEDLO CC[C@@H](C#N)OC(=O)c1cccnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000779222028 905458917 /nfs/dbraw/zinc/45/89/17/905458917.db2.gz SKSORTFJZSUKGJ-SFHVURJKSA-N 1 2 398.894 3.516 20 30 GHEDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000177730273 906206576 /nfs/dbraw/zinc/20/65/76/906206576.db2.gz BRGXJAQREDFNJR-ZBSNKRKSSA-N 1 2 389.908 3.581 20 30 GHEDLO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000177730273 906206588 /nfs/dbraw/zinc/20/65/88/906206588.db2.gz BRGXJAQREDFNJR-ZBSNKRKSSA-N 1 2 389.908 3.581 20 30 GHEDLO CCCC[N@H+](CC#N)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC001173398664 906424855 /nfs/dbraw/zinc/42/48/55/906424855.db2.gz BYPTYYYYQMMWQO-UHFFFAOYSA-N 1 2 378.314 3.679 20 30 GHEDLO CCCC[N@@H+](CC#N)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC001173398664 906424858 /nfs/dbraw/zinc/42/48/58/906424858.db2.gz BYPTYYYYQMMWQO-UHFFFAOYSA-N 1 2 378.314 3.679 20 30 GHEDLO N#Cc1cc(Br)c(Cl)cc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC001174979991 907329943 /nfs/dbraw/zinc/32/99/43/907329943.db2.gz LKZOWKJEDWCGPP-UHFFFAOYSA-N 1 2 393.672 3.949 20 30 GHEDLO COC(=O)[C@@]1(C)C[C@H](OC)C[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC001175250155 907452524 /nfs/dbraw/zinc/45/25/24/907452524.db2.gz NZZMRIZBPNYSAR-JTHBVZDNSA-N 1 2 392.499 3.539 20 30 GHEDLO COC(=O)[C@@]1(C)C[C@H](OC)C[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC001175250155 907452529 /nfs/dbraw/zinc/45/25/29/907452529.db2.gz NZZMRIZBPNYSAR-JTHBVZDNSA-N 1 2 392.499 3.539 20 30 GHEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000184125326 907521175 /nfs/dbraw/zinc/52/11/75/907521175.db2.gz FAASDOJHRSENME-HOTGVXAUSA-N 1 2 384.505 3.950 20 30 GHEDLO C[C@H]1CN(Cc2ccccc2)C[C@]2(CC[N@H+](Cc3cccc(C#N)c3F)C2)O1 ZINC001175686487 907693469 /nfs/dbraw/zinc/69/34/69/907693469.db2.gz FSDSQVNNNZJILZ-FDDCHVKYSA-N 1 2 379.479 3.563 20 30 GHEDLO C[C@H]1CN(Cc2ccccc2)C[C@]2(CC[N@@H+](Cc3cccc(C#N)c3F)C2)O1 ZINC001175686487 907693473 /nfs/dbraw/zinc/69/34/73/907693473.db2.gz FSDSQVNNNZJILZ-FDDCHVKYSA-N 1 2 379.479 3.563 20 30 GHEDLO CC(C)(C)OCc1cc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)no1 ZINC000186825444 907990490 /nfs/dbraw/zinc/99/04/90/907990490.db2.gz JBOMJCUHICIOLK-UHFFFAOYSA-N 1 2 382.508 3.616 20 30 GHEDLO C=CCCn1cc(C[NH2+]Cc2cccc(NC(=O)c3ccc(C)cc3)c2)nn1 ZINC001177416316 908568281 /nfs/dbraw/zinc/56/82/81/908568281.db2.gz MKPJERGICYKHBH-UHFFFAOYSA-N 1 2 375.476 3.705 20 30 GHEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635923484 909383458 /nfs/dbraw/zinc/38/34/58/909383458.db2.gz XMOHBJNIBVPXFU-UHFFFAOYSA-N 1 2 379.464 3.574 20 30 GHEDLO C[NH+](C)Cc1nc(CNC(=O)c2ccccc2Sc2ccccc2C#N)co1 ZINC001179127863 909392874 /nfs/dbraw/zinc/39/28/74/909392874.db2.gz BMEGHMWZSBRGPW-UHFFFAOYSA-N 1 2 392.484 3.689 20 30 GHEDLO N#C[C@@H](Cc1ccc(F)cc1F)OC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000774311108 911639748 /nfs/dbraw/zinc/63/97/48/911639748.db2.gz LHVIXPQTELWOMT-TZIWHRDSSA-N 1 2 384.426 3.997 20 30 GHEDLO N#C[C@@H](Cc1ccc(F)cc1F)OC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000774311108 911639758 /nfs/dbraw/zinc/63/97/58/911639758.db2.gz LHVIXPQTELWOMT-TZIWHRDSSA-N 1 2 384.426 3.997 20 30 GHEDLO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000284069881 911740567 /nfs/dbraw/zinc/74/05/67/911740567.db2.gz KPGXUJOXXYNPNG-HXUWFJFHSA-N 1 2 386.492 3.524 20 30 GHEDLO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000284069881 911740587 /nfs/dbraw/zinc/74/05/87/911740587.db2.gz KPGXUJOXXYNPNG-HXUWFJFHSA-N 1 2 386.492 3.524 20 30 GHEDLO C#C[C@@H]([NH2+]Cc1csc(-c2cccc(Br)c2)n1)[C@H]1CCCO1 ZINC000775341112 917076921 /nfs/dbraw/zinc/07/69/21/917076921.db2.gz JYJGOUQGNVDDEH-HZPDHXFCSA-N 1 2 377.307 3.843 20 30 GHEDLO CCCCCCCCNC(=O)N1CCC2(CC1)c1ncc(C)n1CC[N@H+]2CC ZINC001191059990 917731023 /nfs/dbraw/zinc/73/10/23/917731023.db2.gz NJLUDCUOCDARRL-UHFFFAOYSA-N 1 2 389.588 3.888 20 30 GHEDLO CCCCCCCCNC(=O)N1CCC2(CC1)c1ncc(C)n1CC[N@@H+]2CC ZINC001191059990 917731033 /nfs/dbraw/zinc/73/10/33/917731033.db2.gz NJLUDCUOCDARRL-UHFFFAOYSA-N 1 2 389.588 3.888 20 30 GHEDLO COc1cccc(F)c1[C@H](C)[NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000775460472 918012216 /nfs/dbraw/zinc/01/22/16/918012216.db2.gz VGEDIRKXRGJWLW-DZGCQCFKSA-N 1 2 390.418 3.722 20 30 GHEDLO COc1cc([C@@H](C)[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)ccc1OC1CCCC1 ZINC000115597169 919456946 /nfs/dbraw/zinc/45/69/46/919456946.db2.gz KEIMCRQREYIYTE-IVZQSRNASA-N 1 2 393.487 3.765 20 30 GHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000119126194 919606306 /nfs/dbraw/zinc/60/63/06/919606306.db2.gz UKOSCBZLYYEEDX-QGZVFWFLSA-N 1 2 398.507 3.770 20 30 GHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]([C@H](C)c1ccco1)C1CC1 ZINC000119126194 919606332 /nfs/dbraw/zinc/60/63/32/919606332.db2.gz UKOSCBZLYYEEDX-QGZVFWFLSA-N 1 2 398.507 3.770 20 30 GHEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000369825012 923648662 /nfs/dbraw/zinc/64/86/62/923648662.db2.gz FPKJKWMZSFHALP-KRWDZBQOSA-N 1 2 395.484 3.807 20 30 GHEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000369825012 923648671 /nfs/dbraw/zinc/64/86/71/923648671.db2.gz FPKJKWMZSFHALP-KRWDZBQOSA-N 1 2 395.484 3.807 20 30 GHEDLO C=CC[N@H+](CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)Cc1cccs1 ZINC000009977835 923695541 /nfs/dbraw/zinc/69/55/41/923695541.db2.gz SHDHVKKNMOZCOR-UHFFFAOYSA-N 1 2 397.544 3.613 20 30 GHEDLO C=CC[N@@H+](CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)Cc1cccs1 ZINC000009977835 923695558 /nfs/dbraw/zinc/69/55/58/923695558.db2.gz SHDHVKKNMOZCOR-UHFFFAOYSA-N 1 2 397.544 3.613 20 30 GHEDLO C=CCn1c2nn(C[N@H+]3CCC[C@H]3CC(C)C)c(=S)n2c2ccccc2c1=O ZINC000748792366 923830875 /nfs/dbraw/zinc/83/08/75/923830875.db2.gz LLZOCYDUPBQBJC-INIZCTEOSA-N 1 2 397.548 3.834 20 30 GHEDLO C=CCn1c2nn(C[N@@H+]3CCC[C@H]3CC(C)C)c(=S)n2c2ccccc2c1=O ZINC000748792366 923830881 /nfs/dbraw/zinc/83/08/81/923830881.db2.gz LLZOCYDUPBQBJC-INIZCTEOSA-N 1 2 397.548 3.834 20 30 GHEDLO C[C@H](C#N)Oc1ccc(C[N@@H+]2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)cc1 ZINC000826889238 924322939 /nfs/dbraw/zinc/32/29/39/924322939.db2.gz SDCQDSOQRQTCKX-CYBMUJFWSA-N 1 2 389.377 3.994 20 30 GHEDLO C[C@H](C#N)Oc1ccc(C[N@H+]2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)cc1 ZINC000826889238 924322945 /nfs/dbraw/zinc/32/29/45/924322945.db2.gz SDCQDSOQRQTCKX-CYBMUJFWSA-N 1 2 389.377 3.994 20 30 GHEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(C(F)(F)F)ccc1Cl ZINC001276081853 925349723 /nfs/dbraw/zinc/34/97/23/925349723.db2.gz YMQHCFZGBXPGMR-GOSISDBHSA-N 1 2 384.829 3.949 20 30 GHEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(C(F)(F)F)ccc1Cl ZINC001276081853 925349729 /nfs/dbraw/zinc/34/97/29/925349729.db2.gz YMQHCFZGBXPGMR-GOSISDBHSA-N 1 2 384.829 3.949 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)c(Br)c1 ZINC000411977786 926970551 /nfs/dbraw/zinc/97/05/51/926970551.db2.gz GPKBKYDQQHNITC-HXUWFJFHSA-N 1 2 397.272 3.931 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)c(Br)c1 ZINC000411977786 926970559 /nfs/dbraw/zinc/97/05/59/926970559.db2.gz GPKBKYDQQHNITC-HXUWFJFHSA-N 1 2 397.272 3.931 20 30 GHEDLO C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(C#N)(c2ccccn2)CC1)c1ccc(Cl)cc1 ZINC000374292348 926990215 /nfs/dbraw/zinc/99/02/15/926990215.db2.gz NDOHWUVKDJGXFK-SJORKVTESA-N 1 2 396.922 3.858 20 30 GHEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)cc1Cl ZINC000412037411 927022410 /nfs/dbraw/zinc/02/24/10/927022410.db2.gz IKSDOEUKQRPRAK-UHFFFAOYSA-N 1 2 377.897 3.969 20 30 GHEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)cc1Cl ZINC000412037411 927022425 /nfs/dbraw/zinc/02/24/25/927022425.db2.gz IKSDOEUKQRPRAK-UHFFFAOYSA-N 1 2 377.897 3.969 20 30 GHEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000374360164 927051649 /nfs/dbraw/zinc/05/16/49/927051649.db2.gz MWDCQGSVHACJQC-HXUWFJFHSA-N 1 2 386.455 3.500 20 30 GHEDLO C[C@H](O)[C@H]1CCN(c2cc(NCc3ccc(-c4ccccc4C#N)cc3)[nH+]cn2)C1 ZINC000413229569 928344810 /nfs/dbraw/zinc/34/48/10/928344810.db2.gz RFJDOAFCIUZBES-UWJYYQICSA-N 1 2 399.498 3.834 20 30 GHEDLO C[C@H](O)[C@H]1CCN(c2cc(NCc3ccc(-c4ccccc4C#N)cc3)nc[nH+]2)C1 ZINC000413229569 928344820 /nfs/dbraw/zinc/34/48/20/928344820.db2.gz RFJDOAFCIUZBES-UWJYYQICSA-N 1 2 399.498 3.834 20 30 GHEDLO C#CCCSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(OC(F)F)cc1 ZINC000751743724 928357285 /nfs/dbraw/zinc/35/72/85/928357285.db2.gz ZVWAACBICVJSDY-UHFFFAOYSA-N 1 2 392.475 3.970 20 30 GHEDLO COc1cc(C#N)ccc1NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000545999692 929759655 /nfs/dbraw/zinc/75/96/55/929759655.db2.gz ULGQIZUPSMPYLU-FQEVSTJZSA-N 1 2 389.459 3.943 20 30 GHEDLO N#Cc1cccn(C[NH+]2CCC(COc3cc(Cl)cc(Cl)c3)CC2)c1=O ZINC000758223825 929979351 /nfs/dbraw/zinc/97/93/51/929979351.db2.gz NOMICZAFUAGCGC-UHFFFAOYSA-N 1 2 392.286 3.775 20 30 GHEDLO N#Cc1cccn(C[NH+]2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)c1=O ZINC000758239306 929983714 /nfs/dbraw/zinc/98/37/14/929983714.db2.gz XWSMDIQKWGNPOC-UHFFFAOYSA-N 1 2 392.286 3.665 20 30 GHEDLO Cc1cccn2cc(Cc3noc(CSCc4ccc(C#N)cc4)n3)[nH+]c12 ZINC000546392244 930117417 /nfs/dbraw/zinc/11/74/17/930117417.db2.gz SULNGDKCOVMCMH-UHFFFAOYSA-N 1 2 375.457 3.922 20 30 GHEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000759771901 930483974 /nfs/dbraw/zinc/48/39/74/930483974.db2.gz FAIKZDRQSGFZFM-QGZVFWFLSA-N 1 2 378.948 3.838 20 30 GHEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000759771901 930483981 /nfs/dbraw/zinc/48/39/81/930483981.db2.gz FAIKZDRQSGFZFM-QGZVFWFLSA-N 1 2 378.948 3.838 20 30 GHEDLO COc1ccc2c(c1)C[N@@H+](CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)CC2 ZINC000470359917 930560372 /nfs/dbraw/zinc/56/03/72/930560372.db2.gz VNOPUWFOXPVLHD-UHFFFAOYSA-N 1 2 397.906 3.962 20 30 GHEDLO COc1ccc2c(c1)C[N@H+](CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)CC2 ZINC000470359917 930560374 /nfs/dbraw/zinc/56/03/74/930560374.db2.gz VNOPUWFOXPVLHD-UHFFFAOYSA-N 1 2 397.906 3.962 20 30 GHEDLO CC[C@@H]([NH2+]CC1CCN(C(=O)c2ccccc2)CC1)c1cccc(C#N)c1O ZINC000925109052 931650042 /nfs/dbraw/zinc/65/00/42/931650042.db2.gz VFYOVGWGUADAOI-OAQYLSRUSA-N 1 2 377.488 3.857 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@]3(C2)CCc2ccccc2O3)c(C#N)c1C ZINC000558466647 932018761 /nfs/dbraw/zinc/01/87/61/932018761.db2.gz PQZKAGVGENFKFJ-OYHNWAKOSA-N 1 2 379.460 3.565 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)c(C#N)c1C ZINC000558466647 932018770 /nfs/dbraw/zinc/01/87/70/932018770.db2.gz PQZKAGVGENFKFJ-OYHNWAKOSA-N 1 2 379.460 3.565 20 30 GHEDLO CCCc1c(NC(=O)Nc2ccn3cc[nH+]c3c2)cnn1-c1cccc(C#N)c1 ZINC000558496800 932035165 /nfs/dbraw/zinc/03/51/65/932035165.db2.gz MXSSRPYJYQDXDV-UHFFFAOYSA-N 1 2 385.431 3.988 20 30 GHEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@H]2C[C@H](c3cccc(F)c3)C2)CC1=O ZINC000797784805 932407071 /nfs/dbraw/zinc/40/70/71/932407071.db2.gz JDVSSHOFLHQLSD-JCNLHEQBSA-N 1 2 390.462 3.731 20 30 GHEDLO Cc1ccc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1Br ZINC000798274366 932587473 /nfs/dbraw/zinc/58/74/73/932587473.db2.gz CPVLNAOGJORLAW-ZBFHGGJFSA-N 1 2 394.313 3.606 20 30 GHEDLO C=CCOc1ccccc1CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000559518756 932718176 /nfs/dbraw/zinc/71/81/76/932718176.db2.gz CLHHUJYNNTVWPK-UHFFFAOYSA-N 1 2 394.519 3.873 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799190132 932906491 /nfs/dbraw/zinc/90/64/91/932906491.db2.gz KQEJQGBRVIQLNP-IAGOWNOFSA-N 1 2 380.517 3.904 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799190132 932906496 /nfs/dbraw/zinc/90/64/96/932906496.db2.gz KQEJQGBRVIQLNP-IAGOWNOFSA-N 1 2 380.517 3.904 20 30 GHEDLO CN(C)c1ccc(C#N)cc1CN1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000929066880 933225054 /nfs/dbraw/zinc/22/50/54/933225054.db2.gz FBWUUHOEXJPPBA-UHFFFAOYSA-N 1 2 385.515 3.622 20 30 GHEDLO COC(=O)c1cccc(CSCc2cccc(C[NH+]3CCOCC3)c2)c1C#N ZINC001118055070 934083041 /nfs/dbraw/zinc/08/30/41/934083041.db2.gz DGMQQWZIEITTAY-UHFFFAOYSA-N 1 2 396.512 3.610 20 30 GHEDLO C=CCn1c([C@H](O)CCCCC)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001121577573 934703449 /nfs/dbraw/zinc/70/34/49/934703449.db2.gz BOLWOOYECRJONZ-GOSISDBHSA-N 1 2 384.528 3.554 20 30 GHEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC[C@@H](COC)C1 ZINC001121580808 934705200 /nfs/dbraw/zinc/70/52/00/934705200.db2.gz FGWKPZIDRZUBMY-UYAOXDASSA-N 1 2 383.540 3.520 20 30 GHEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC[C@@H](COC)C1 ZINC001121580808 934705205 /nfs/dbraw/zinc/70/52/05/934705205.db2.gz FGWKPZIDRZUBMY-UYAOXDASSA-N 1 2 383.540 3.520 20 30 GHEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC[C@H](OCC)C1 ZINC001121581254 934705251 /nfs/dbraw/zinc/70/52/51/934705251.db2.gz LAMCFQQWRKRPLS-QUCCMNQESA-N 1 2 383.540 3.662 20 30 GHEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC[C@H](OCC)C1 ZINC001121581254 934705254 /nfs/dbraw/zinc/70/52/54/934705254.db2.gz LAMCFQQWRKRPLS-QUCCMNQESA-N 1 2 383.540 3.662 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)[C@@H]1CCc2ccccc21 ZINC001121684798 934738331 /nfs/dbraw/zinc/73/83/31/934738331.db2.gz SGADWECJXYCDFA-OAQYLSRUSA-N 1 2 390.535 3.681 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@@H](c2ccccc2)[C@@H]1C ZINC001121799878 934767411 /nfs/dbraw/zinc/76/74/11/934767411.db2.gz BTBUMUNYHFSOCQ-GHTZIAJQSA-N 1 2 392.551 3.773 20 30 GHEDLO C=CC[C@@H]1CCCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CC(=C)C)C1 ZINC001122441875 934870827 /nfs/dbraw/zinc/87/08/27/934870827.db2.gz WOUQZPAZNBPBLI-LJQANCHMSA-N 1 2 382.556 3.740 20 30 GHEDLO Cc1ccc2c(c1Br)C[N@@H+](CCC(=O)Nc1ccccc1C#N)C2 ZINC000595874227 1014732244 /nfs/dbraw/zinc/73/22/44/1014732244.db2.gz RJYKOKHKKXTBHB-UHFFFAOYSA-N 1 2 384.277 3.974 20 30 GHEDLO Cc1ccc2c(c1Br)C[N@H+](CCC(=O)Nc1ccccc1C#N)C2 ZINC000595874227 1014732254 /nfs/dbraw/zinc/73/22/54/1014732254.db2.gz RJYKOKHKKXTBHB-UHFFFAOYSA-N 1 2 384.277 3.974 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccnc(OCC)c1Cl ZINC001277222766 1032476863 /nfs/dbraw/zinc/47/68/63/1032476863.db2.gz AAACDDXGRFXTIA-HXUWFJFHSA-N 1 2 377.916 3.667 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccnc(OCC)c1Cl ZINC001277222766 1032476865 /nfs/dbraw/zinc/47/68/65/1032476865.db2.gz AAACDDXGRFXTIA-HXUWFJFHSA-N 1 2 377.916 3.667 20 30 GHEDLO C[N@@H+]1CC[C@H](Oc2ccc(C=CC(O)=CC(=O)C=Cc3ccc(O)cc3)cc2)C1 ZINC001227593835 1032477975 /nfs/dbraw/zinc/47/79/75/1032477975.db2.gz STVWIEPFHQCORH-QHYPBZIUSA-N 1 2 391.467 3.730 20 30 GHEDLO C[N@H+]1CC[C@H](Oc2ccc(C=CC(O)=CC(=O)C=Cc3ccc(O)cc3)cc2)C1 ZINC001227593835 1032477979 /nfs/dbraw/zinc/47/79/79/1032477979.db2.gz STVWIEPFHQCORH-QHYPBZIUSA-N 1 2 391.467 3.730 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@H](c2ncccn2)C2CC2)c1C#N ZINC000932361696 1018225704 /nfs/dbraw/zinc/22/57/04/1018225704.db2.gz NPKAUDDIHNYGNA-FQEVSTJZSA-N 1 2 392.507 3.561 20 30 GHEDLO CCOc1cc(C[NH+]2CCN(c3cnccc3C#N)CC2)ccc1OCC(C)C ZINC000568942994 1019453519 /nfs/dbraw/zinc/45/35/19/1019453519.db2.gz HYSIEYGKRMWVEG-UHFFFAOYSA-N 1 2 394.519 3.709 20 30 GHEDLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc(C#N)c1 ZINC000155793385 1019553108 /nfs/dbraw/zinc/55/31/08/1019553108.db2.gz XHPMDQHAISGXJH-JTSKRJEESA-N 1 2 376.504 3.634 20 30 GHEDLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc(C#N)c1 ZINC000155793385 1019553122 /nfs/dbraw/zinc/55/31/22/1019553122.db2.gz XHPMDQHAISGXJH-JTSKRJEESA-N 1 2 376.504 3.634 20 30 GHEDLO C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000578620464 1020350520 /nfs/dbraw/zinc/35/05/20/1020350520.db2.gz VMIHPZFTNGGYDX-UHFFFAOYSA-N 1 2 394.910 3.896 20 30 GHEDLO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1cc(Br)cc(Br)c1O ZINC000834887512 1021620053 /nfs/dbraw/zinc/62/00/53/1021620053.db2.gz HFTNOALLWVLQNO-WQHBLYJGSA-N 1 2 391.103 3.911 20 30 GHEDLO CC(C)(C)OC(=O)n1cc(CN2CCc3[nH+]ccn3CC2)c2cc(C#N)ccc21 ZINC001140440952 1021715371 /nfs/dbraw/zinc/71/53/71/1021715371.db2.gz ICRBILMPOBNFGW-UHFFFAOYSA-N 1 2 391.475 3.551 20 30 GHEDLO CC(C)(C)OC(=O)n1cc(C[N@@H+]2CCOC[C@@H]2C2CC2)c2cc(C#N)ccc21 ZINC001140441343 1021716648 /nfs/dbraw/zinc/71/66/48/1021716648.db2.gz OGZSNMVIZRLUHE-HXUWFJFHSA-N 1 2 381.476 3.907 20 30 GHEDLO CC(C)(C)OC(=O)n1cc(C[N@H+]2CCOC[C@@H]2C2CC2)c2cc(C#N)ccc21 ZINC001140441343 1021716656 /nfs/dbraw/zinc/71/66/56/1021716656.db2.gz OGZSNMVIZRLUHE-HXUWFJFHSA-N 1 2 381.476 3.907 20 30 GHEDLO CC[C@@H]([NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)c1nc(C)cs1 ZINC000754321880 1022619753 /nfs/dbraw/zinc/61/97/53/1022619753.db2.gz DCWMHZUALMHKMS-LSDHHAIUSA-N 1 2 377.473 3.730 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@H+]2CCCN(C(=O)OCC)CC2)cc1OC ZINC001204755453 1033069410 /nfs/dbraw/zinc/06/94/10/1033069410.db2.gz DFIZITFJKJIZHV-UHFFFAOYSA-N 1 2 382.888 3.578 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CCCN(C(=O)OCC)CC2)cc1OC ZINC001204755453 1033069421 /nfs/dbraw/zinc/06/94/21/1033069421.db2.gz DFIZITFJKJIZHV-UHFFFAOYSA-N 1 2 382.888 3.578 20 30 GHEDLO C=CCc1cc(OC)cc(C[N@@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)c1O ZINC000754726161 1022860303 /nfs/dbraw/zinc/86/03/03/1022860303.db2.gz DYZUUNZYYHPGKK-FQEVSTJZSA-N 1 2 375.415 3.981 20 30 GHEDLO C=CCc1cc(OC)cc(C[N@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)c1O ZINC000754726161 1022860320 /nfs/dbraw/zinc/86/03/20/1022860320.db2.gz DYZUUNZYYHPGKK-FQEVSTJZSA-N 1 2 375.415 3.981 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1Cc1ccccc1-c1cccs1 ZINC001141093464 1023473623 /nfs/dbraw/zinc/47/36/23/1023473623.db2.gz BDIZMYQRAPVMMM-LJQANCHMSA-N 1 2 380.517 3.846 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1Cc1ccccc1-c1cccs1 ZINC001141093464 1023473635 /nfs/dbraw/zinc/47/36/35/1023473635.db2.gz BDIZMYQRAPVMMM-LJQANCHMSA-N 1 2 380.517 3.846 20 30 GHEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3cc(C(F)(F)F)ccc3OC)C2)CC1 ZINC001141199336 1024112625 /nfs/dbraw/zinc/11/26/25/1024112625.db2.gz FFSQFGQYVKAMSL-UHFFFAOYSA-N 1 2 398.425 3.934 20 30 GHEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC001141298152 1024443509 /nfs/dbraw/zinc/44/35/09/1024443509.db2.gz LNXAOFVXQDVHNE-UHFFFAOYSA-N 1 2 375.428 3.629 20 30 GHEDLO C=C(C)COc1ccccc1C[N@@H+]1CCO[C@H]2[C@H](Oc3ccccn3)CC[C@@H]21 ZINC001138662034 1025182239 /nfs/dbraw/zinc/18/22/39/1025182239.db2.gz NHJDBIKJNBXKBM-XKCSPQBFSA-N 1 2 380.488 3.847 20 30 GHEDLO C=C(C)COc1ccccc1C[N@H+]1CCO[C@H]2[C@H](Oc3ccccn3)CC[C@@H]21 ZINC001138662034 1025182245 /nfs/dbraw/zinc/18/22/45/1025182245.db2.gz NHJDBIKJNBXKBM-XKCSPQBFSA-N 1 2 380.488 3.847 20 30 GHEDLO N#Cc1cc(C(F)(F)F)cc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1 ZINC001161970307 1025515797 /nfs/dbraw/zinc/51/57/97/1025515797.db2.gz FFJDKTJVJVBGRJ-UHFFFAOYSA-N 1 2 380.801 3.948 20 30 GHEDLO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1[nH]c(CCCC)nc1Cl)C2 ZINC001139178618 1026009986 /nfs/dbraw/zinc/00/99/86/1026009986.db2.gz XLPKMSROAKAORV-FQEVSTJZSA-N 1 2 378.948 3.939 20 30 GHEDLO C=CCN1C(=O)CCC[C@@]12CCC[N@H+](Cc1[nH]c(CCCC)nc1Cl)C2 ZINC001139178618 1026010001 /nfs/dbraw/zinc/01/00/01/1026010001.db2.gz XLPKMSROAKAORV-FQEVSTJZSA-N 1 2 378.948 3.939 20 30 GHEDLO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cc(Cl)cnc3Cl)C2)C1 ZINC001139354349 1026226195 /nfs/dbraw/zinc/22/61/95/1026226195.db2.gz QCWMPVVRMVPRPB-GOSISDBHSA-N 1 2 384.307 3.999 20 30 GHEDLO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](Cc3cc(Cl)cnc3Cl)C2)C1 ZINC001139354349 1026226207 /nfs/dbraw/zinc/22/62/07/1026226207.db2.gz QCWMPVVRMVPRPB-GOSISDBHSA-N 1 2 384.307 3.999 20 30 GHEDLO N#Cc1ccnc(-c2ccc(CN3CC[C@@H]([NH+]4CCCC4)C(F)(F)C3)cc2)c1 ZINC001139404557 1026275978 /nfs/dbraw/zinc/27/59/78/1026275978.db2.gz OLKWCTKKXPNQLZ-OAQYLSRUSA-N 1 2 382.458 3.926 20 30 GHEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1CC[C@@H](c2cccc(Br)c2)C1=O ZINC000839961985 1026376657 /nfs/dbraw/zinc/37/66/57/1026376657.db2.gz ZLRJUCXBZWPCAN-IBGZPJMESA-N 1 2 398.304 3.726 20 30 GHEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1CC[C@@H](c2cccc(Br)c2)C1=O ZINC000839961985 1026376667 /nfs/dbraw/zinc/37/66/67/1026376667.db2.gz ZLRJUCXBZWPCAN-IBGZPJMESA-N 1 2 398.304 3.726 20 30 GHEDLO N#Cc1ccc(F)c(C[N@@H+]2CCO[C@]3(CCC[C@H]3COCc3cccnc3)C2)c1 ZINC001139646925 1026508295 /nfs/dbraw/zinc/50/82/95/1026508295.db2.gz AWUQNIRLXUSMAN-JTHBVZDNSA-N 1 2 395.478 3.680 20 30 GHEDLO N#Cc1ccc(F)c(C[N@H+]2CCO[C@]3(CCC[C@H]3COCc3cccnc3)C2)c1 ZINC001139646925 1026508302 /nfs/dbraw/zinc/50/83/02/1026508302.db2.gz AWUQNIRLXUSMAN-JTHBVZDNSA-N 1 2 395.478 3.680 20 30 GHEDLO N#Cc1c(Cl)cccc1CN1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001139689450 1026541160 /nfs/dbraw/zinc/54/11/60/1026541160.db2.gz ZWCYTOFQGXLTMW-MRXNPFEDSA-N 1 2 393.878 3.514 20 30 GHEDLO Cc1ccc2c(n1)N(Cc1ccncc1)CC[N@@H+](Cc1cc(F)cc(C#N)c1)C2 ZINC001139876622 1026692279 /nfs/dbraw/zinc/69/22/79/1026692279.db2.gz GTSIPSJZNMIVCN-UHFFFAOYSA-N 1 2 387.462 3.818 20 30 GHEDLO Cc1ccc2c(n1)N(Cc1ccncc1)CC[N@H+](Cc1cc(F)cc(C#N)c1)C2 ZINC001139876622 1026692283 /nfs/dbraw/zinc/69/22/83/1026692283.db2.gz GTSIPSJZNMIVCN-UHFFFAOYSA-N 1 2 387.462 3.818 20 30 GHEDLO N#Cc1ccc(CN2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c(F)c1 ZINC001140136799 1026910448 /nfs/dbraw/zinc/91/04/48/1026910448.db2.gz NTJOJNKQZNXBIV-UHFFFAOYSA-N 1 2 385.508 3.626 20 30 GHEDLO N#Cc1ccc(CN2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c(F)c1 ZINC001140136799 1026910453 /nfs/dbraw/zinc/91/04/53/1026910453.db2.gz NTJOJNKQZNXBIV-UHFFFAOYSA-N 1 2 385.508 3.626 20 30 GHEDLO N#Cc1ccc2cc[nH+]c(N3CCC4(CCC(=O)N4Cc4ccncc4)CC3)c2c1 ZINC001166123279 1026923949 /nfs/dbraw/zinc/92/39/49/1026923949.db2.gz AAACAASVUGOKKT-UHFFFAOYSA-N 1 2 397.482 3.663 20 30 GHEDLO CC(=O)N1CC[C@@]2(c3ccccc3)CCN(c3[nH+]ccc4ccc(C#N)cc43)C[C@H]12 ZINC001166220521 1026946465 /nfs/dbraw/zinc/94/64/65/1026946465.db2.gz ZOLJWWMVUFSYOF-UKILVPOCSA-N 1 2 396.494 3.875 20 30 GHEDLO C=CCOC[C@H]1CCC[C@@]12CN(c1[nH+]ccc3cc(OC)c(F)cc31)CCO2 ZINC001166370525 1026987309 /nfs/dbraw/zinc/98/73/09/1026987309.db2.gz QVPOIIOFCZIADA-VGOFRKELSA-N 1 2 386.467 3.961 20 30 GHEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC001141813331 1027346109 /nfs/dbraw/zinc/34/61/09/1027346109.db2.gz JFFUAYMPWAJWCX-INIZCTEOSA-N 1 2 390.325 3.545 20 30 GHEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC001141813331 1027346127 /nfs/dbraw/zinc/34/61/27/1027346127.db2.gz JFFUAYMPWAJWCX-INIZCTEOSA-N 1 2 390.325 3.545 20 30 GHEDLO COc1cc(C[N@H+](C)Cc2cc(Br)ccc2C#N)cc(OC)c1 ZINC001141900793 1027621615 /nfs/dbraw/zinc/62/16/15/1027621615.db2.gz GMAIRASVABOZBG-UHFFFAOYSA-N 1 2 375.266 3.970 20 30 GHEDLO COc1cc(C[N@@H+](C)Cc2cc(Br)ccc2C#N)cc(OC)c1 ZINC001141900793 1027621618 /nfs/dbraw/zinc/62/16/18/1027621618.db2.gz GMAIRASVABOZBG-UHFFFAOYSA-N 1 2 375.266 3.970 20 30 GHEDLO N#Cc1csc(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)n1 ZINC001203855846 1027662523 /nfs/dbraw/zinc/66/25/23/1027662523.db2.gz FADZCBXAQAAGPC-UHFFFAOYSA-N 1 2 386.484 3.611 20 30 GHEDLO CCCC[N@H+](CCC#N)Cc1cc(I)c(O)c(OC)c1 ZINC001204117140 1027888335 /nfs/dbraw/zinc/88/83/35/1027888335.db2.gz NKBBUBKVMDPVLJ-UHFFFAOYSA-N 1 2 388.249 3.521 20 30 GHEDLO CCCC[N@@H+](CCC#N)Cc1cc(I)c(O)c(OC)c1 ZINC001204117140 1027888358 /nfs/dbraw/zinc/88/83/58/1027888358.db2.gz NKBBUBKVMDPVLJ-UHFFFAOYSA-N 1 2 388.249 3.521 20 30 GHEDLO C=CCOC[C@@H]1C[N@@H+](Cc2c(C)cc(OC)cc2C)Cc2nnn(CC3CC3)c21 ZINC001142936918 1029717542 /nfs/dbraw/zinc/71/75/42/1029717542.db2.gz VLDOHRBWCHCYAD-IBGZPJMESA-N 1 2 396.535 3.616 20 30 GHEDLO C=CCOC[C@@H]1C[N@H+](Cc2c(C)cc(OC)cc2C)Cc2nnn(CC3CC3)c21 ZINC001142936918 1029717551 /nfs/dbraw/zinc/71/75/51/1029717551.db2.gz VLDOHRBWCHCYAD-IBGZPJMESA-N 1 2 396.535 3.616 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@H+](Cc3c(F)ccc(C#N)c3F)C2)C1 ZINC001143167276 1029879031 /nfs/dbraw/zinc/87/90/31/1029879031.db2.gz RYRCJGPNGNVVDL-FQEVSTJZSA-N 1 2 377.435 3.669 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@@H+](Cc3c(F)ccc(C#N)c3F)C2)C1 ZINC001143167276 1029879036 /nfs/dbraw/zinc/87/90/36/1029879036.db2.gz RYRCJGPNGNVVDL-FQEVSTJZSA-N 1 2 377.435 3.669 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2ccc(OC)c(Cl)c2OC)C1=O ZINC001276860016 1030389391 /nfs/dbraw/zinc/38/93/91/1030389391.db2.gz CRGQETVOCFPKKF-HXUWFJFHSA-N 1 2 378.900 3.500 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+]2Cc2ccc(OC)c(Cl)c2OC)C1=O ZINC001276860016 1030389404 /nfs/dbraw/zinc/38/94/04/1030389404.db2.gz CRGQETVOCFPKKF-HXUWFJFHSA-N 1 2 378.900 3.500 20 30 GHEDLO COc1ccc(OC)c(/C(=N/O)O[C@H]2CC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC001223891382 1030796078 /nfs/dbraw/zinc/79/60/78/1030796078.db2.gz IRTGTTPHHVDGDS-HZSHHLKBSA-N 1 2 390.867 3.784 20 30 GHEDLO COc1ccc(OC)c(/C(=N/O)O[C@H]2CC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC001223891382 1030796098 /nfs/dbraw/zinc/79/60/98/1030796098.db2.gz IRTGTTPHHVDGDS-HZSHHLKBSA-N 1 2 390.867 3.784 20 30 GHEDLO COc1ccc(OC)c(/C(=N/O)O[C@H]2CCC[N@H+](Cc3ccccc3F)C2)c1 ZINC001223892057 1030796455 /nfs/dbraw/zinc/79/64/55/1030796455.db2.gz ZZCVPEZSFNLEIE-JHGXHUTESA-N 1 2 388.439 3.660 20 30 GHEDLO COc1ccc(OC)c(/C(=N/O)O[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)c1 ZINC001223892057 1030796474 /nfs/dbraw/zinc/79/64/74/1030796474.db2.gz ZZCVPEZSFNLEIE-JHGXHUTESA-N 1 2 388.439 3.660 20 30 GHEDLO N#CCCCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccsc1Br ZINC001276773208 1030797439 /nfs/dbraw/zinc/79/74/39/1030797439.db2.gz AVKXQEKTKNCBEM-KRWDZBQOSA-N 1 2 396.354 3.771 20 30 GHEDLO N#CCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccsc1Br ZINC001276773208 1030797451 /nfs/dbraw/zinc/79/74/51/1030797451.db2.gz AVKXQEKTKNCBEM-KRWDZBQOSA-N 1 2 396.354 3.771 20 30 GHEDLO CCn1c2ccccc2nc1N1CCN(c2[nH+]ccc3ccc(C#N)cc32)CC1 ZINC001158034625 1033874772 /nfs/dbraw/zinc/87/47/72/1033874772.db2.gz GIXBUXXSTXOXAC-UHFFFAOYSA-N 1 2 382.471 3.803 20 30 GHEDLO N#Cc1c(Cl)ccnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001158547597 1034145149 /nfs/dbraw/zinc/14/51/49/1034145149.db2.gz WMIWQYUNUYAPSW-INIZCTEOSA-N 1 2 380.801 3.860 20 30 GHEDLO N#Cc1c(Cl)ccnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001158547597 1034145161 /nfs/dbraw/zinc/14/51/61/1034145161.db2.gz WMIWQYUNUYAPSW-INIZCTEOSA-N 1 2 380.801 3.860 20 30 GHEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2csc(-c3ccc(Cl)cc3)n2)C1=O ZINC001277487864 1034406304 /nfs/dbraw/zinc/40/63/04/1034406304.db2.gz QWBWNCSKCHPTDZ-FQEVSTJZSA-N 1 2 385.920 3.664 20 30 GHEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2csc(-c3ccc(Cl)cc3)n2)C1=O ZINC001277487864 1034406317 /nfs/dbraw/zinc/40/63/17/1034406317.db2.gz QWBWNCSKCHPTDZ-FQEVSTJZSA-N 1 2 385.920 3.664 20 30 GHEDLO CCOC[C@@H]1C[N@H+](Cc2ccccc2C#Cc2ccccc2)Cc2ncn(C)c21 ZINC001231577578 1034727671 /nfs/dbraw/zinc/72/76/71/1034727671.db2.gz YADARXXDDNMPOY-QHCPKHFHSA-N 1 2 385.511 3.956 20 30 GHEDLO CCOC[C@@H]1C[N@@H+](Cc2ccccc2C#Cc2ccccc2)Cc2ncn(C)c21 ZINC001231577578 1034727684 /nfs/dbraw/zinc/72/76/84/1034727684.db2.gz YADARXXDDNMPOY-QHCPKHFHSA-N 1 2 385.511 3.956 20 30 GHEDLO N#Cc1cccc2c1CC[C@H]2Nc1cc(N2CCN(c3ccccc3)CC2)nc[nH+]1 ZINC001159919114 1034786310 /nfs/dbraw/zinc/78/63/10/1034786310.db2.gz RIFBMJNXSPRHBU-JOCHJYFZSA-N 1 2 396.498 3.774 20 30 GHEDLO N#Cc1cccc2c1CC[C@H]2Nc1cc(N2CCN(c3ccccc3)CC2)[nH+]cn1 ZINC001159919114 1034786326 /nfs/dbraw/zinc/78/63/26/1034786326.db2.gz RIFBMJNXSPRHBU-JOCHJYFZSA-N 1 2 396.498 3.774 20 30 GHEDLO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1nc(Br)ccc1F)C2 ZINC001231940056 1034999607 /nfs/dbraw/zinc/99/96/07/1034999607.db2.gz GHYFQTIPQIOYAK-AEFFLSMTSA-N 1 2 399.304 3.557 20 30 GHEDLO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1nc(Br)ccc1F)C2 ZINC001231940056 1034999611 /nfs/dbraw/zinc/99/96/11/1034999611.db2.gz GHYFQTIPQIOYAK-AEFFLSMTSA-N 1 2 399.304 3.557 20 30 GHEDLO C=CCN1C(=O)CCC12CC[NH+](CC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)CC2 ZINC001209086759 1035168310 /nfs/dbraw/zinc/16/83/10/1035168310.db2.gz VFBLMZJRBHUXAB-HSALFYBXSA-N 1 2 390.568 3.633 20 30 GHEDLO C=CCOCc1ncn2c1C[N@H+](Cc1cccn1Cc1ccccc1)CCC2 ZINC001232237227 1035177926 /nfs/dbraw/zinc/17/79/26/1035177926.db2.gz XXVUCIABRHHUKK-UHFFFAOYSA-N 1 2 376.504 3.841 20 30 GHEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1cccn1Cc1ccccc1)CCC2 ZINC001232237227 1035177928 /nfs/dbraw/zinc/17/79/28/1035177928.db2.gz XXVUCIABRHHUKK-UHFFFAOYSA-N 1 2 376.504 3.841 20 30 GHEDLO Cc1nn(-c2ccccc2C)c(C)c1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001462019798 1069949418 /nfs/dbraw/zinc/94/94/18/1069949418.db2.gz WWNBCENDUWITJV-UHFFFAOYSA-N 1 2 399.542 3.987 20 30 GHEDLO C=CCCCC[N@@H+](C)Cc1ccc(OC)c(I)c1O ZINC001248498527 1035916148 /nfs/dbraw/zinc/91/61/48/1035916148.db2.gz DFKKWWRLEJVITA-UHFFFAOYSA-N 1 2 375.250 3.794 20 30 GHEDLO C=CCCCC[N@H+](C)Cc1ccc(OC)c(I)c1O ZINC001248498527 1035916151 /nfs/dbraw/zinc/91/61/51/1035916151.db2.gz DFKKWWRLEJVITA-UHFFFAOYSA-N 1 2 375.250 3.794 20 30 GHEDLO C[C@@H](OC(C)(C)C)[C@H]([NH3+])c1nc(-c2ccc(Br)cc2C#N)no1 ZINC001247639108 1038286543 /nfs/dbraw/zinc/28/65/43/1038286543.db2.gz PRDZTQWWZQROKN-RNCFNFMXSA-N 1 2 379.258 3.574 20 30 GHEDLO COCC[N@H+](Cc1ccc(Cl)cc1C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001232608293 1038392325 /nfs/dbraw/zinc/39/23/25/1038392325.db2.gz GFINWBFOIKJQJX-GOSISDBHSA-N 1 2 393.915 3.669 20 30 GHEDLO COCC[N@@H+](Cc1ccc(Cl)cc1C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001232608293 1038392330 /nfs/dbraw/zinc/39/23/30/1038392330.db2.gz GFINWBFOIKJQJX-GOSISDBHSA-N 1 2 393.915 3.669 20 30 GHEDLO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3C#N)CC2)cc1 ZINC001232608814 1038394319 /nfs/dbraw/zinc/39/43/19/1038394319.db2.gz VBDOLJQEKLMYKE-UHFFFAOYSA-N 1 2 393.878 3.869 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(Br)nc1C ZINC001277689968 1038404298 /nfs/dbraw/zinc/40/42/98/1038404298.db2.gz BRJVOSSVQVZWOV-LJQANCHMSA-N 1 2 392.341 3.686 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(Br)nc1C ZINC001277689968 1038404302 /nfs/dbraw/zinc/40/43/02/1038404302.db2.gz BRJVOSSVQVZWOV-LJQANCHMSA-N 1 2 392.341 3.686 20 30 GHEDLO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(Br)c(C#N)c1 ZINC001232895262 1038687875 /nfs/dbraw/zinc/68/78/75/1038687875.db2.gz KRJFYAARNWFCEF-HNNXBMFYSA-N 1 2 394.313 3.810 20 30 GHEDLO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(Br)c(C#N)c1 ZINC001232895262 1038687879 /nfs/dbraw/zinc/68/78/79/1038687879.db2.gz KRJFYAARNWFCEF-HNNXBMFYSA-N 1 2 394.313 3.810 20 30 GHEDLO N#Cc1cc(C[NH+]2CCC(NC(=O)C3CCCC3)CC2)ccc1Br ZINC001232896058 1038690071 /nfs/dbraw/zinc/69/00/71/1038690071.db2.gz ZNCUDQGZFLXSOK-UHFFFAOYSA-N 1 2 390.325 3.592 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3ncoc3[C@H]3CCCO3)n2)C1 ZINC000329462023 1039104552 /nfs/dbraw/zinc/10/45/52/1039104552.db2.gz PYCGQSAACDPONA-TZMCWYRMSA-N 1 2 376.482 3.851 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ncoc3[C@H]3CCCO3)n2)C1 ZINC000329462023 1039104554 /nfs/dbraw/zinc/10/45/54/1039104554.db2.gz PYCGQSAACDPONA-TZMCWYRMSA-N 1 2 376.482 3.851 20 30 GHEDLO COc1cc2nc(C)sc2cc1NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000330162641 1039196611 /nfs/dbraw/zinc/19/66/11/1039196611.db2.gz USHHSNFKYUKMKJ-CQSZACIVSA-N 1 2 399.520 3.847 20 30 GHEDLO C=CCO[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC001254558710 1040328850 /nfs/dbraw/zinc/32/88/50/1040328850.db2.gz WIUMUPVOKBFOKI-IBGZPJMESA-N 1 2 384.524 3.697 20 30 GHEDLO C=CCO[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC001254558710 1040328865 /nfs/dbraw/zinc/32/88/65/1040328865.db2.gz WIUMUPVOKBFOKI-IBGZPJMESA-N 1 2 384.524 3.697 20 30 GHEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1c(C)cncc1Br)CCO2 ZINC001235644387 1041081350 /nfs/dbraw/zinc/08/13/50/1041081350.db2.gz KHDHTBOSGBDVPS-VQIMIIECSA-N 1 2 395.341 3.726 20 30 GHEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1c(C)cncc1Br)CCO2 ZINC001235644387 1041081365 /nfs/dbraw/zinc/08/13/65/1041081365.db2.gz KHDHTBOSGBDVPS-VQIMIIECSA-N 1 2 395.341 3.726 20 30 GHEDLO COc1cccc(Br)c1C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC001236674667 1041821436 /nfs/dbraw/zinc/82/14/36/1041821436.db2.gz YAGNWHNPTMNSHW-UHFFFAOYSA-N 1 2 386.293 3.652 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(-n4cccn4)c(Cl)c3)CC2)c(F)c1 ZINC001236904712 1041949282 /nfs/dbraw/zinc/94/92/82/1041949282.db2.gz PMVQSCJAYQLYBQ-UHFFFAOYSA-N 1 2 395.869 3.859 20 30 GHEDLO COc1cc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)ccc1C(F)F ZINC001237281161 1042121511 /nfs/dbraw/zinc/12/15/11/1042121511.db2.gz RULUEUKVTCBTMD-UHFFFAOYSA-N 1 2 375.394 3.966 20 30 GHEDLO Cn1cc(C[NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)c2cc(C#N)ccc21 ZINC001237470384 1042222154 /nfs/dbraw/zinc/22/21/54/1042222154.db2.gz BWGHGVIWLJWZGN-UHFFFAOYSA-N 1 2 392.890 3.661 20 30 GHEDLO COc1ccc(C(F)(F)F)c(C[NH+]2CCN(c3ccccc3C#N)CC2)c1 ZINC001238050363 1042474572 /nfs/dbraw/zinc/47/45/72/1042474572.db2.gz DYQVGEKVXXQFNU-UHFFFAOYSA-N 1 2 375.394 3.908 20 30 GHEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2cc(C)c(Br)cc2C)CC1 ZINC001238284944 1042540888 /nfs/dbraw/zinc/54/08/88/1042540888.db2.gz KMRRJFKGDMBPAP-UHFFFAOYSA-N 1 2 379.298 3.735 20 30 GHEDLO COC[C@@H]1C[N@H+](Cc2ccc(C#N)c(OC)c2)Cc2cn(CC3CCCC3)nc21 ZINC001238405326 1042586480 /nfs/dbraw/zinc/58/64/80/1042586480.db2.gz DFTQYZQOBGMXJB-NRFANRHFSA-N 1 2 394.519 3.699 20 30 GHEDLO COC[C@@H]1C[N@@H+](Cc2ccc(C#N)c(OC)c2)Cc2cn(CC3CCCC3)nc21 ZINC001238405326 1042586483 /nfs/dbraw/zinc/58/64/83/1042586483.db2.gz DFTQYZQOBGMXJB-NRFANRHFSA-N 1 2 394.519 3.699 20 30 GHEDLO C=CCOCc1ncn2c1C[N@H+](Cc1cc(F)cc(N3CCCC3)c1)CCC2 ZINC001238704318 1042692947 /nfs/dbraw/zinc/69/29/47/1042692947.db2.gz PSMDIONGBGVHRQ-UHFFFAOYSA-N 1 2 384.499 3.731 20 30 GHEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1cc(F)cc(N3CCCC3)c1)CCC2 ZINC001238704318 1042692950 /nfs/dbraw/zinc/69/29/50/1042692950.db2.gz PSMDIONGBGVHRQ-UHFFFAOYSA-N 1 2 384.499 3.731 20 30 GHEDLO CCCCCCCCNC(=S)Nc1c2c(nn1C(=O)OCC)C(C)(C)[NH2+]C2 ZINC001239377449 1042816412 /nfs/dbraw/zinc/81/64/12/1042816412.db2.gz LIVNNWPGYNNDTC-UHFFFAOYSA-N 1 2 395.573 3.873 20 30 GHEDLO C/C(=N\[S@](=O)C(C)(C)C)c1ccc(-c2ccc(C[NH+]3CCOCC3)nc2)cc1 ZINC001239597266 1042838504 /nfs/dbraw/zinc/83/85/04/1042838504.db2.gz FGWORPNZPNVYNC-AZUOUTSGSA-N 1 2 399.560 3.852 20 30 GHEDLO N#Cc1ccccc1C(F)(F)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001298411743 1045804191 /nfs/dbraw/zinc/80/41/91/1045804191.db2.gz BCYNKBITVHUNCA-UHFFFAOYSA-N 1 2 386.789 3.806 20 30 GHEDLO Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)cs1 ZINC001261640454 1046048949 /nfs/dbraw/zinc/04/89/49/1046048949.db2.gz GGINONPGVGCPQA-INIZCTEOSA-N 1 2 380.517 3.633 20 30 GHEDLO Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[N@H+]2CCC[C@@H](CC#N)C2)cs1 ZINC001261640454 1046048965 /nfs/dbraw/zinc/04/89/65/1046048965.db2.gz GGINONPGVGCPQA-INIZCTEOSA-N 1 2 380.517 3.633 20 30 GHEDLO Cc1ccc(CN2CC3(CC[N@H+]3Cc3cc(C#N)n(C)c3)C2)c(Cl)c1Cl ZINC001279301478 1047760207 /nfs/dbraw/zinc/76/02/07/1047760207.db2.gz JETWVFJTWHIQLS-UHFFFAOYSA-N 1 2 389.330 3.972 20 30 GHEDLO Cc1ccc(CN2CC3(CC[N@@H+]3Cc3cc(C#N)n(C)c3)C2)c(Cl)c1Cl ZINC001279301478 1047760214 /nfs/dbraw/zinc/76/02/14/1047760214.db2.gz JETWVFJTWHIQLS-UHFFFAOYSA-N 1 2 389.330 3.972 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(CC)cc3)n2CC(C)(C)C(C)C)CC1 ZINC001286474683 1048336012 /nfs/dbraw/zinc/33/60/12/1048336012.db2.gz JVCMGYUVTYTODL-UHFFFAOYSA-N 1 2 393.579 3.945 20 30 GHEDLO C=C(C)CN(CC)c1nnc(-c2ccccn2)n1CCc1cn2ccccc2[nH+]1 ZINC001286570918 1048370333 /nfs/dbraw/zinc/37/03/33/1048370333.db2.gz DSVLUSTZSLKKHR-UHFFFAOYSA-N 1 2 387.491 3.633 20 30 GHEDLO C=CCn1ncc2ccc(NC(=O)c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)cc21 ZINC001289390522 1049460899 /nfs/dbraw/zinc/46/08/99/1049460899.db2.gz KPTYDSNLNBADHJ-UHFFFAOYSA-N 1 2 388.387 3.569 20 30 GHEDLO CCOc1cc(N2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] ZINC001307733949 1049545712 /nfs/dbraw/zinc/54/57/12/1049545712.db2.gz IBKQVPNVHCARCS-UHFFFAOYSA-N 1 2 399.878 3.821 20 30 GHEDLO C=CCn1c(=S)n(C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)nc1-c1cccnc1 ZINC001330058535 1050948054 /nfs/dbraw/zinc/94/80/54/1050948054.db2.gz BSEXACKRLKNCDP-RTBURBONSA-N 1 2 399.564 3.901 20 30 GHEDLO C=CCn1c(=S)n(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)nc1-c1cccnc1 ZINC001330058535 1050948061 /nfs/dbraw/zinc/94/80/61/1050948061.db2.gz BSEXACKRLKNCDP-RTBURBONSA-N 1 2 399.564 3.901 20 30 GHEDLO CC[C@H]([NH2+]CCNC(=O)c1ccccc1C(F)(F)F)c1cccc(C#N)c1O ZINC001332867292 1051587328 /nfs/dbraw/zinc/58/73/28/1051587328.db2.gz XCXFUKZABQAHEO-KRWDZBQOSA-N 1 2 391.393 3.753 20 30 GHEDLO C=CCOc1ccccc1CNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001312000088 1052522153 /nfs/dbraw/zinc/52/21/53/1052522153.db2.gz IXPJYDHFNKSJID-HXUWFJFHSA-N 1 2 376.460 3.689 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 ZINC001342299671 1053085109 /nfs/dbraw/zinc/08/51/09/1053085109.db2.gz QSRGKWGBEDSAGZ-JBACZVJFSA-N 1 2 395.551 3.805 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 ZINC001342299671 1053085126 /nfs/dbraw/zinc/08/51/26/1053085126.db2.gz QSRGKWGBEDSAGZ-JBACZVJFSA-N 1 2 395.551 3.805 20 30 GHEDLO C=C(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1Cc2ccccc2[C@H]1C ZINC001342354256 1053124641 /nfs/dbraw/zinc/12/46/41/1053124641.db2.gz GKMVYWNTRNXRRX-YLJYHZDGSA-N 1 2 381.524 3.717 20 30 GHEDLO C=C(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1Cc2ccccc2[C@H]1C ZINC001342354256 1053124645 /nfs/dbraw/zinc/12/46/45/1053124645.db2.gz GKMVYWNTRNXRRX-YLJYHZDGSA-N 1 2 381.524 3.717 20 30 GHEDLO CC(C)Cn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC(C#N)CC1 ZINC001343011152 1053496688 /nfs/dbraw/zinc/49/66/88/1053496688.db2.gz LQBHJEHASVDTQM-SFHVURJKSA-N 1 2 380.540 3.867 20 30 GHEDLO CC(C)Cn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC(C#N)CC1 ZINC001343011152 1053496696 /nfs/dbraw/zinc/49/66/96/1053496696.db2.gz LQBHJEHASVDTQM-SFHVURJKSA-N 1 2 380.540 3.867 20 30 GHEDLO C=C(C)Cn1c(CCCC#N)nnc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001343538441 1053854911 /nfs/dbraw/zinc/85/49/11/1053854911.db2.gz IAQSPFZIBCTZQE-UHFFFAOYSA-N 1 2 398.942 3.676 20 30 GHEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCc2ccsc2C1 ZINC001343545706 1053863679 /nfs/dbraw/zinc/86/36/79/1053863679.db2.gz FCXPPBYMLANXER-UHFFFAOYSA-N 1 2 396.564 3.571 20 30 GHEDLO C=C(C)CN(C)c1nnc([C@@H](C)[N@H+](C)Cc2ccccc2)n1C[C@@H]1CCOC1 ZINC001344430578 1054459552 /nfs/dbraw/zinc/45/95/52/1054459552.db2.gz CWNCECUGFUGVMX-QUCCMNQESA-N 1 2 383.540 3.520 20 30 GHEDLO C=C(C)CN(C)c1nnc([C@@H](C)[N@@H+](C)Cc2ccccc2)n1C[C@@H]1CCOC1 ZINC001344430578 1054459563 /nfs/dbraw/zinc/45/95/63/1054459563.db2.gz CWNCECUGFUGVMX-QUCCMNQESA-N 1 2 383.540 3.520 20 30 GHEDLO CCC[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12 ZINC001318785292 1054873326 /nfs/dbraw/zinc/87/33/26/1054873326.db2.gz OXMZQIJLAOHNLL-HXUWFJFHSA-N 1 2 381.476 3.545 20 30 GHEDLO CCC[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12 ZINC001318785292 1054873337 /nfs/dbraw/zinc/87/33/37/1054873337.db2.gz OXMZQIJLAOHNLL-HXUWFJFHSA-N 1 2 381.476 3.545 20 30 GHEDLO C=C1CCN(c2nnc([C@H](C)[N@H+](C)Cc3ccccc3)n2C[C@H]2CCOC2)CC1 ZINC001345411738 1055028688 /nfs/dbraw/zinc/02/86/88/1055028688.db2.gz HQOWOLIWDAIKIV-PZJWPPBQSA-N 1 2 395.551 3.664 20 30 GHEDLO C=C1CCN(c2nnc([C@H](C)[N@@H+](C)Cc3ccccc3)n2C[C@H]2CCOC2)CC1 ZINC001345411738 1055028703 /nfs/dbraw/zinc/02/87/03/1055028703.db2.gz HQOWOLIWDAIKIV-PZJWPPBQSA-N 1 2 395.551 3.664 20 30 GHEDLO N#CCOc1ccc(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1 ZINC001319335071 1055188979 /nfs/dbraw/zinc/18/89/79/1055188979.db2.gz CDGNJJDTFOBKQY-NHCUHLMSSA-N 1 2 387.443 3.836 20 30 GHEDLO N#Cc1cc(Br)ccc1CC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC001354540959 1056758505 /nfs/dbraw/zinc/75/85/05/1056758505.db2.gz BMBIPKYVXBSVHG-UHFFFAOYSA-N 1 2 381.233 3.688 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2[C@H]2C[C@H](c3ccccc3Cl)C2)CC1 ZINC001300681854 1056857484 /nfs/dbraw/zinc/85/74/84/1056857484.db2.gz DEQOFCNAFYXOFH-IYARVYRRSA-N 1 2 397.954 3.929 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2C[C@H](C)c2ccc(C)cc2)CC1 ZINC001300682180 1056858482 /nfs/dbraw/zinc/85/84/82/1056858482.db2.gz HZTOQXAGPGQFAJ-PMACEKPBSA-N 1 2 379.552 3.659 20 30 GHEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1Cc2ccc(O)cc2C1 ZINC001356075988 1057379618 /nfs/dbraw/zinc/37/96/18/1057379618.db2.gz SXBCIUOYMKWTJB-QGZVFWFLSA-N 1 2 389.503 3.883 20 30 GHEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1Cc2ccc(O)cc2C1 ZINC001356075988 1057379620 /nfs/dbraw/zinc/37/96/20/1057379620.db2.gz SXBCIUOYMKWTJB-QGZVFWFLSA-N 1 2 389.503 3.883 20 30 GHEDLO COC(=O)/C=C\c1ccc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)o1 ZINC000848908476 1057413484 /nfs/dbraw/zinc/41/34/84/1057413484.db2.gz VKYVHVSAZIOSCW-AQWUKCDYSA-N 1 2 399.878 3.502 20 30 GHEDLO C=C(C)Cn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC[C@@H](COC)C1 ZINC001356200509 1057426299 /nfs/dbraw/zinc/42/62/99/1057426299.db2.gz STPBVWBKRXKCHR-TZIWHRDSSA-N 1 2 397.567 3.910 20 30 GHEDLO C=C(C)Cn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC[C@@H](COC)C1 ZINC001356200509 1057426303 /nfs/dbraw/zinc/42/63/03/1057426303.db2.gz STPBVWBKRXKCHR-TZIWHRDSSA-N 1 2 397.567 3.910 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)C[C@H](C)c1ccccc1 ZINC001356377318 1057493351 /nfs/dbraw/zinc/49/33/51/1057493351.db2.gz BCRZDLOAXMRZAL-SFHVURJKSA-N 1 2 380.540 3.631 20 30 GHEDLO N#CCCCOc1cccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccncc2)c1 ZINC001338806168 1058797333 /nfs/dbraw/zinc/79/73/33/1058797333.db2.gz KIUMBBXSLVSJCM-OAQYLSRUSA-N 1 2 378.476 3.757 20 30 GHEDLO N#CCCCOc1cccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccncc2)c1 ZINC001338806168 1058797348 /nfs/dbraw/zinc/79/73/48/1058797348.db2.gz KIUMBBXSLVSJCM-OAQYLSRUSA-N 1 2 378.476 3.757 20 30 GHEDLO Cc1cccc([C@@H]2CCCN2c2nnc(C3CC[NH+](CCC#N)CC3)n2C)c1 ZINC001338923215 1058882720 /nfs/dbraw/zinc/88/27/20/1058882720.db2.gz DYVMDVNHLMAYBR-FQEVSTJZSA-N 1 2 378.524 3.558 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@@H](C2CCC2)C1 ZINC001338993990 1058916918 /nfs/dbraw/zinc/91/69/18/1058916918.db2.gz AEFPTKKCCMHKDE-HXUWFJFHSA-N 1 2 382.556 3.574 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(Cc1ccco1)C(C)C ZINC001338994979 1058917908 /nfs/dbraw/zinc/91/79/08/1058917908.db2.gz KUKLNAWTEBKDCO-UHFFFAOYSA-N 1 2 382.512 3.565 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@H](C2CCCC2)C1 ZINC001339777009 1059463300 /nfs/dbraw/zinc/46/33/00/1059463300.db2.gz KMRUZALRDZBMNM-FQEVSTJZSA-N 1 2 382.556 3.574 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC(=Cc2ccccc2F)CC1 ZINC001339880927 1059534795 /nfs/dbraw/zinc/53/47/95/1059534795.db2.gz YPOIFTJDCZGAIM-UHFFFAOYSA-N 1 2 392.482 3.611 20 30 GHEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC[C@H](COCC)C1 ZINC001340491676 1059951431 /nfs/dbraw/zinc/95/14/31/1059951431.db2.gz RJXKFLWEURTXDS-CTNGQTDRSA-N 1 2 397.567 3.910 20 30 GHEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC[C@H](COCC)C1 ZINC001340491676 1059951435 /nfs/dbraw/zinc/95/14/35/1059951435.db2.gz RJXKFLWEURTXDS-CTNGQTDRSA-N 1 2 397.567 3.910 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2Cc2ccccc2)nnc1N1C[C@H]2[C@@H](C1)C2(F)F ZINC001340556785 1059974420 /nfs/dbraw/zinc/97/44/20/1059974420.db2.gz WQCDNSROSSEJJY-OTWHNJEPSA-N 1 2 399.489 3.893 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@H+]2Cc2ccccc2)nnc1N1C[C@H]2[C@@H](C1)C2(F)F ZINC001340556785 1059974425 /nfs/dbraw/zinc/97/44/25/1059974425.db2.gz WQCDNSROSSEJJY-OTWHNJEPSA-N 1 2 399.489 3.893 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)[C@@H]1CCc2ccccc21 ZINC001340911063 1060241767 /nfs/dbraw/zinc/24/17/67/1060241767.db2.gz OWHMQMCRBMLHFZ-HXUWFJFHSA-N 1 2 378.524 3.515 20 30 GHEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@H]1c1cccc(OC)c1 ZINC001341756646 1060865269 /nfs/dbraw/zinc/86/52/69/1060865269.db2.gz YHEFIIQXNFFOIV-IBGZPJMESA-N 1 2 392.507 3.529 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N(C)Cc1ccns1 ZINC001341931833 1060956303 /nfs/dbraw/zinc/95/63/03/1060956303.db2.gz QILMIOYDAHOXFT-QGZVFWFLSA-N 1 2 385.541 3.779 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N(C)Cc1nc2ccccc2s1 ZINC001342003773 1060991240 /nfs/dbraw/zinc/99/12/40/1060991240.db2.gz NJDXJXNZTQDYSH-INIZCTEOSA-N 1 2 382.537 3.867 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N(C)Cc1nc2ccccc2s1 ZINC001342003773 1060991244 /nfs/dbraw/zinc/99/12/44/1060991244.db2.gz NJDXJXNZTQDYSH-INIZCTEOSA-N 1 2 382.537 3.867 20 30 GHEDLO CN(CCC1CC1)c1nnc(C2CC[NH+](CCC#N)CC2)n1Cc1ccccc1 ZINC001342162542 1061098014 /nfs/dbraw/zinc/09/80/14/1061098014.db2.gz JIWXBRMZIXSFCP-UHFFFAOYSA-N 1 2 392.551 3.656 20 30 GHEDLO C=CCn1cnn(C[N@H+]2CCC[C@H](C)[C@@H]2CCNC(=O)OC(C)(C)C)c1=S ZINC001346128199 1061385372 /nfs/dbraw/zinc/38/53/72/1061385372.db2.gz PWGJFYZDJUNCFD-HOTGVXAUSA-N 1 2 395.573 3.573 20 30 GHEDLO C=CCn1cnn(C[N@@H+]2CCC[C@H](C)[C@@H]2CCNC(=O)OC(C)(C)C)c1=S ZINC001346128199 1061385390 /nfs/dbraw/zinc/38/53/90/1061385390.db2.gz PWGJFYZDJUNCFD-HOTGVXAUSA-N 1 2 395.573 3.573 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC001346188081 1061437117 /nfs/dbraw/zinc/43/71/17/1061437117.db2.gz PXFIIMYWOOEKBF-BPQIPLTHSA-N 1 2 387.553 3.649 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC001346188081 1061437125 /nfs/dbraw/zinc/43/71/25/1061437125.db2.gz PXFIIMYWOOEKBF-BPQIPLTHSA-N 1 2 387.553 3.649 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCS[C@H](c2ccccc2)C1 ZINC001346188035 1061437512 /nfs/dbraw/zinc/43/75/12/1061437512.db2.gz ORYRJTSLYDFHIG-OALUTQOASA-N 1 2 383.565 3.915 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCS[C@H](c2ccccc2)C1 ZINC001346188035 1061437515 /nfs/dbraw/zinc/43/75/15/1061437515.db2.gz ORYRJTSLYDFHIG-OALUTQOASA-N 1 2 383.565 3.915 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N(C)Cc1cnn(CC)c1 ZINC001346220440 1061458453 /nfs/dbraw/zinc/45/84/53/1061458453.db2.gz MVXPTODQTCUGTP-LJQANCHMSA-N 1 2 396.543 3.539 20 30 GHEDLO C=C(Cl)CSc1nc(C)c(CC(=O)NCc2[nH]c3c([nH+]2)CCCC3)s1 ZINC001456245441 1062575326 /nfs/dbraw/zinc/57/53/26/1062575326.db2.gz XSGKPFKUTADAIT-UHFFFAOYSA-N 1 2 396.969 3.757 20 30 GHEDLO CC(C)C[C@H](c1nnc(N2CCC[C@@H](CC#N)C2)n1CC1CC1)n1cc[nH+]c1 ZINC001348072069 1062906362 /nfs/dbraw/zinc/90/63/62/1062906362.db2.gz HFONJPLTRSBAAL-PKOBYXMFSA-N 1 2 381.528 3.650 20 30 GHEDLO Cc1cc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)cc(C)c1C#N ZINC001435751572 1062910486 /nfs/dbraw/zinc/91/04/86/1062910486.db2.gz WDQZUPDYODMDNN-NHCUHLMSSA-N 1 2 397.906 3.630 20 30 GHEDLO Cc1cc(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)cc(C)c1C#N ZINC001435751572 1062910492 /nfs/dbraw/zinc/91/04/92/1062910492.db2.gz WDQZUPDYODMDNN-NHCUHLMSSA-N 1 2 397.906 3.630 20 30 GHEDLO C[C@@H]1C[C@@H](C)N(c2nnc(C3CC[NH+](CCC#N)CC3)n2Cc2cccs2)C1 ZINC001348392527 1063046533 /nfs/dbraw/zinc/04/65/33/1063046533.db2.gz QZMIZEQCWMFCTB-IAGOWNOFSA-N 1 2 398.580 3.716 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCN(c3ccc(C)cc3)CC2)cc1 ZINC001459796756 1064221354 /nfs/dbraw/zinc/22/13/54/1064221354.db2.gz GESXYKFGZHJWFG-NRFANRHFSA-N 1 2 390.531 3.761 20 30 GHEDLO Cc1nc(NC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)sc1SCC#N ZINC001464742830 1065186551 /nfs/dbraw/zinc/18/65/51/1065186551.db2.gz AGBHSDYNQZONRL-UHFFFAOYSA-N 1 2 398.517 3.628 20 30 GHEDLO N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(c4c[nH]c[nH+]4)CC3)cc2)nc1 ZINC001465431730 1065607874 /nfs/dbraw/zinc/60/78/74/1065607874.db2.gz PDDBXPBDXGGUGF-UHFFFAOYSA-N 1 2 388.431 3.880 20 30 GHEDLO N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(c4c[nH+]c[nH]4)CC3)cc2)nc1 ZINC001465431730 1065607882 /nfs/dbraw/zinc/60/78/82/1065607882.db2.gz PDDBXPBDXGGUGF-UHFFFAOYSA-N 1 2 388.431 3.880 20 30 GHEDLO Cn1cc[nH+]c1C[C@H](NC(=O)Nc1nc(Cl)c(C#N)s1)c1ccccc1 ZINC001466806098 1066326599 /nfs/dbraw/zinc/32/65/99/1066326599.db2.gz IECDEVXWLSBJPW-LBPRGKRZSA-N 1 2 386.868 3.507 20 30 GHEDLO CC1(C#N)CCN(c2nnc(C[NH+]3CCCCC3)n2CCc2ccccc2)CC1 ZINC001358059518 1067382875 /nfs/dbraw/zinc/38/28/75/1067382875.db2.gz GXRBQWFAFHKDFH-UHFFFAOYSA-N 1 2 392.551 3.637 20 30 GHEDLO C#C[C@H]1CCCN(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC001467629526 1067391117 /nfs/dbraw/zinc/39/11/17/1067391117.db2.gz IGKYPWJLZQPGOI-MAUKXSAKSA-N 1 2 377.891 3.671 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2[C@H]2C[C@H](c3ccccc3C)C2)CC1 ZINC001359028730 1067658630 /nfs/dbraw/zinc/65/86/30/1067658630.db2.gz CLPSJQFDYZBHRQ-JBACZVJFSA-N 1 2 391.563 3.974 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC(=C)Cl)CC1 ZINC001359031842 1067659435 /nfs/dbraw/zinc/65/94/35/1067659435.db2.gz RIQYRVASVUUDPJ-UHFFFAOYSA-N 1 2 397.954 3.750 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2[C@@H]2C[C@@H]2C)CC1 ZINC001359032235 1067659537 /nfs/dbraw/zinc/65/95/37/1067659537.db2.gz HBOMAWHQIVUNSB-SUMWQHHRSA-N 1 2 390.318 3.588 20 30 GHEDLO C[C@@H](CC#N)N(C)c1nnc(CC2CCCC2)n1CCc1cn2ccccc2[nH+]1 ZINC001360481669 1068527591 /nfs/dbraw/zinc/52/75/91/1068527591.db2.gz USGSHHUMKLHNFB-KRWDZBQOSA-N 1 2 391.523 3.640 20 30 GHEDLO CC1(C)CN(c2ccc(Cl)cc2)CC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC001460173109 1068830729 /nfs/dbraw/zinc/83/07/29/1068830729.db2.gz PFSFUSVXASIOJQ-UHFFFAOYSA-N 1 2 382.895 3.751 20 30 GHEDLO CC1(C)CN(c2ccc(Cl)cc2)CC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC001460173109 1068830740 /nfs/dbraw/zinc/83/07/40/1068830740.db2.gz PFSFUSVXASIOJQ-UHFFFAOYSA-N 1 2 382.895 3.751 20 30 GHEDLO N#Cc1ccc(C2CC[NH+](CC(=O)Nc3nc4ccc(F)cc4s3)CC2)nc1 ZINC001460500464 1068980605 /nfs/dbraw/zinc/98/06/05/1068980605.db2.gz JYBUXTFIGFZMJI-UHFFFAOYSA-N 1 2 395.463 3.520 20 30 GHEDLO C=C(Br)C[N@@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC001460880848 1069249162 /nfs/dbraw/zinc/24/91/62/1069249162.db2.gz RCHRQRZSLAKPKR-CQSZACIVSA-N 1 2 375.104 3.641 20 30 GHEDLO C=C(Br)C[N@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC001460880848 1069249154 /nfs/dbraw/zinc/24/91/54/1069249154.db2.gz RCHRQRZSLAKPKR-CQSZACIVSA-N 1 2 375.104 3.641 20 30 GHEDLO N#Cc1ccc(CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1F ZINC001470522639 1072607303 /nfs/dbraw/zinc/60/73/03/1072607303.db2.gz LOYYGCLJCLXQFR-LEWJYISDSA-N 1 2 389.434 3.622 20 30 GHEDLO N#CC1(CC(=O)N2CC[NH+](Cc3cccc(OCc4ccccc4)c3)CC2)CC1 ZINC001470985841 1072867395 /nfs/dbraw/zinc/86/73/95/1072867395.db2.gz LTHPUHMRWWYIIT-UHFFFAOYSA-N 1 2 389.499 3.604 20 30 GHEDLO C#C[C@H](NC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)c1ccc(F)cc1 ZINC001478893549 1079017502 /nfs/dbraw/zinc/01/75/02/1079017502.db2.gz ISTXVLJBTRSBFS-AZYNXAEESA-N 1 2 377.463 3.541 20 30 GHEDLO C=C(Br)C[N@@H+](CCC(=O)OC)Cc1cccc(Br)c1 ZINC001473379583 1073940937 /nfs/dbraw/zinc/94/09/37/1073940937.db2.gz ZVKNZVGWRSTQPQ-UHFFFAOYSA-N 1 2 391.103 3.723 20 30 GHEDLO C=C(Br)C[N@H+](CCC(=O)OC)Cc1cccc(Br)c1 ZINC001473379583 1073940938 /nfs/dbraw/zinc/94/09/38/1073940938.db2.gz ZVKNZVGWRSTQPQ-UHFFFAOYSA-N 1 2 391.103 3.723 20 30 GHEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCCC[C@H]2Cc2ccccc2F)c1 ZINC001473619594 1074052180 /nfs/dbraw/zinc/05/21/80/1074052180.db2.gz HTCPGRVAILXQDJ-IBGZPJMESA-N 1 2 386.492 3.568 20 30 GHEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCCC[C@H]2Cc2ccccc2F)c1 ZINC001473619594 1074052188 /nfs/dbraw/zinc/05/21/88/1074052188.db2.gz HTCPGRVAILXQDJ-IBGZPJMESA-N 1 2 386.492 3.568 20 30 GHEDLO COc1cccc2c(C[NH2+][C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cccc12 ZINC001474425162 1074401325 /nfs/dbraw/zinc/40/13/25/1074401325.db2.gz ZRDZKVJGAIMDHV-QFBILLFUSA-N 1 2 381.476 3.697 20 30 GHEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000735418648 598289976 /nfs/dbraw/zinc/28/99/76/598289976.db2.gz HXDILGWFQDPBEZ-HNNXBMFYSA-N 1 2 387.447 3.666 20 30 GHEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000735418648 598289977 /nfs/dbraw/zinc/28/99/77/598289977.db2.gz HXDILGWFQDPBEZ-HNNXBMFYSA-N 1 2 387.447 3.666 20 30 GHEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cn1ccc(-c2ccc(F)cc2)n1 ZINC000735426280 598722188 /nfs/dbraw/zinc/72/21/88/598722188.db2.gz OJOSKQSKLAVHHI-UHFFFAOYSA-N 1 2 389.438 3.515 20 30 GHEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cn1ccc(-c2ccc(F)cc2)n1 ZINC000735426280 598722189 /nfs/dbraw/zinc/72/21/89/598722189.db2.gz OJOSKQSKLAVHHI-UHFFFAOYSA-N 1 2 389.438 3.515 20 30 GHEDLO C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000376511898 837758289 /nfs/dbraw/zinc/75/82/89/837758289.db2.gz PHFUBYNUEQTCOQ-NHCUHLMSSA-N 1 2 390.531 3.743 20 30 GHEDLO C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000376511897 837758491 /nfs/dbraw/zinc/75/84/91/837758491.db2.gz PHFUBYNUEQTCOQ-LEWJYISDSA-N 1 2 390.531 3.743 20 30 GHEDLO C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000548798525 834499695 /nfs/dbraw/zinc/49/96/95/834499695.db2.gz CNHLZILYOOWUSU-RTBURBONSA-N 1 2 388.515 3.695 20 30 GHEDLO N#Cc1ccccc1NC(=O)CC[N@H+]1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000583543891 834610770 /nfs/dbraw/zinc/61/07/70/834610770.db2.gz DFLVJCUYWATUDZ-UHFFFAOYSA-N 1 2 376.435 3.956 20 30 GHEDLO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000583543891 834610782 /nfs/dbraw/zinc/61/07/82/834610782.db2.gz DFLVJCUYWATUDZ-UHFFFAOYSA-N 1 2 376.435 3.956 20 30 GHEDLO CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000329298125 834781971 /nfs/dbraw/zinc/78/19/71/834781971.db2.gz UJRSXFCEKVIZHC-IBGZPJMESA-N 1 2 387.524 3.534 20 30 GHEDLO C[NH+](C)Cc1cc(NS(=O)(=O)c2ccc(C#N)cc2Cl)ccc1Cl ZINC000500784109 844013266 /nfs/dbraw/zinc/01/32/66/844013266.db2.gz ABBZYLCTHQHDSM-UHFFFAOYSA-N 1 2 384.288 3.727 20 30 GHEDLO Cc1cc(N2CCN(c3c(C#N)cnc4c(C)cccc43)CC2)nc(C(C)C)[nH+]1 ZINC000610211333 835132888 /nfs/dbraw/zinc/13/28/88/835132888.db2.gz NQYAFZWNAYHLRY-UHFFFAOYSA-N 1 2 386.503 3.963 20 30 GHEDLO C=CCOc1ccc(-c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)cc1 ZINC000500813941 844036596 /nfs/dbraw/zinc/03/65/96/844036596.db2.gz IMQJZZMLGDZQAW-HXUWFJFHSA-N 1 2 377.444 3.875 20 30 GHEDLO C=CCOc1ccc(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)cc1 ZINC000500813941 844036604 /nfs/dbraw/zinc/03/66/04/844036604.db2.gz IMQJZZMLGDZQAW-HXUWFJFHSA-N 1 2 377.444 3.875 20 30 GHEDLO N#Cc1cccc(OCc2cccc(C(=O)NCCCNc3cccc[nH+]3)c2)c1 ZINC000136162556 835312000 /nfs/dbraw/zinc/31/20/00/835312000.db2.gz QQMVRFBHZKXLGO-UHFFFAOYSA-N 1 2 386.455 3.764 20 30 GHEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c1 ZINC000134447086 835724597 /nfs/dbraw/zinc/72/45/97/835724597.db2.gz NHGXBYYSGBXECU-ZDUSSCGKSA-N 1 2 394.422 3.852 20 30 GHEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c1 ZINC000134447086 835724603 /nfs/dbraw/zinc/72/46/03/835724603.db2.gz NHGXBYYSGBXECU-ZDUSSCGKSA-N 1 2 394.422 3.852 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cc1 ZINC000134464623 835740982 /nfs/dbraw/zinc/74/09/82/835740982.db2.gz IIGYLQXXNVHAEV-CYBMUJFWSA-N 1 2 394.422 3.852 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cc1 ZINC000134464623 835740984 /nfs/dbraw/zinc/74/09/84/835740984.db2.gz IIGYLQXXNVHAEV-CYBMUJFWSA-N 1 2 394.422 3.852 20 30 GHEDLO N#CCCCOc1cccc(C[NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)c1 ZINC000179933696 835928876 /nfs/dbraw/zinc/92/88/76/835928876.db2.gz HXXPWWQHNJSBSX-UHFFFAOYSA-N 1 2 397.906 3.981 20 30 GHEDLO N#Cc1ccccc1-c1ccc(CNC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000179869618 836156864 /nfs/dbraw/zinc/15/68/64/836156864.db2.gz UXXBTOXJSNJWQV-UHFFFAOYSA-N 1 2 397.482 3.652 20 30 GHEDLO CCC[N@H+](CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)CC(F)F ZINC000472435040 836305895 /nfs/dbraw/zinc/30/58/95/836305895.db2.gz RSMTUBDKDHXVQJ-UHFFFAOYSA-N 1 2 392.450 3.924 20 30 GHEDLO CCC[N@@H+](CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)CC(F)F ZINC000472435040 836305904 /nfs/dbraw/zinc/30/59/04/836305904.db2.gz RSMTUBDKDHXVQJ-UHFFFAOYSA-N 1 2 392.450 3.924 20 30 GHEDLO N#Cc1c[nH]c(C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000175569426 836711085 /nfs/dbraw/zinc/71/10/85/836711085.db2.gz BNBQRJFOKWCDSW-UHFFFAOYSA-N 1 2 381.439 3.728 20 30 GHEDLO C[C@@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000175580918 836715703 /nfs/dbraw/zinc/71/57/03/836715703.db2.gz AEZMWTFNLDTWEU-SJORKVTESA-N 1 2 395.528 3.548 20 30 GHEDLO N#CCSc1cccc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)c1 ZINC000175683489 836945668 /nfs/dbraw/zinc/94/56/68/836945668.db2.gz LRGPMHCKBPQUAN-UHFFFAOYSA-N 1 2 378.457 3.830 20 30 GHEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000161102201 844233301 /nfs/dbraw/zinc/23/33/01/844233301.db2.gz FYIXWPGEZUOWQR-NRFANRHFSA-N 1 2 391.450 3.604 20 30 GHEDLO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000161102201 844233310 /nfs/dbraw/zinc/23/33/10/844233310.db2.gz FYIXWPGEZUOWQR-NRFANRHFSA-N 1 2 391.450 3.604 20 30 GHEDLO COc1cccc(Nc2cc(I)c3[nH+]ccn3c2)c1C#N ZINC001210121473 837324720 /nfs/dbraw/zinc/32/47/20/837324720.db2.gz CFNVFYOXTSPQHC-UHFFFAOYSA-N 1 2 390.184 3.563 20 30 GHEDLO Cc1ccc2[nH+]cc(/C=C\C(=O)c3ccc(S(=O)(=O)CC(F)F)cc3)n2c1 ZINC000255157958 838612998 /nfs/dbraw/zinc/61/29/98/838612998.db2.gz INVHBKBFNCMUFL-YVMONPNESA-N 1 2 390.411 3.578 20 30 GHEDLO C[C@H]([NH2+]Cc1nnnn1CC(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000377198117 839080711 /nfs/dbraw/zinc/08/07/11/839080711.db2.gz SMTABONJEZZSDJ-ZDUSSCGKSA-N 1 2 386.381 3.625 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)N2CCC(C)(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000378599613 839404822 /nfs/dbraw/zinc/40/48/22/839404822.db2.gz XGJRJNRDYPFPPW-IRXDYDNUSA-N 1 2 378.879 3.560 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)N2CCC(C)(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000378599613 839404826 /nfs/dbraw/zinc/40/48/26/839404826.db2.gz XGJRJNRDYPFPPW-IRXDYDNUSA-N 1 2 378.879 3.560 20 30 GHEDLO C=CCn1c(-c2ccoc2)nnc1N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000580485290 839658972 /nfs/dbraw/zinc/65/89/72/839658972.db2.gz XYMAIAOXYBHEAF-UHFFFAOYSA-N 1 2 392.507 3.862 20 30 GHEDLO C=C(C)Cn1c(CC)nnc1N1CC[NH+]([C@H](CC)c2ccc(F)cc2F)CC1 ZINC000549261704 839671324 /nfs/dbraw/zinc/67/13/24/839671324.db2.gz UEOVNGJTOOVRCC-LJQANCHMSA-N 1 2 389.494 3.968 20 30 GHEDLO CC(C)(C#N)c1ccc(C[NH+]2CCN(c3nnc(C(F)(F)F)s3)CC2)cc1 ZINC000614415639 844466133 /nfs/dbraw/zinc/46/61/33/844466133.db2.gz HBJMDAVMJRHUAK-UHFFFAOYSA-N 1 2 395.454 3.680 20 30 GHEDLO N#CCCC1CC[NH+](Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000581129542 840764673 /nfs/dbraw/zinc/76/46/73/840764673.db2.gz WTKWFWOZFQRLKB-UHFFFAOYSA-N 1 2 398.820 3.850 20 30 GHEDLO COc1cccc(C=C2CC[NH+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)c1 ZINC000473026676 840820111 /nfs/dbraw/zinc/82/01/11/840820111.db2.gz YELUXFATKDOIBN-QHCPKHFHSA-N 1 2 387.483 3.852 20 30 GHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c1C#N ZINC000125358599 841421240 /nfs/dbraw/zinc/42/12/40/841421240.db2.gz CXMPJRDRGGRHLF-HXUWFJFHSA-N 1 2 391.475 3.722 20 30 GHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc[nH]2)c1C#N ZINC000125358599 841421243 /nfs/dbraw/zinc/42/12/43/841421243.db2.gz CXMPJRDRGGRHLF-HXUWFJFHSA-N 1 2 391.475 3.722 20 30 GHEDLO CC1(C)CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599468850 861217103 /nfs/dbraw/zinc/21/71/03/861217103.db2.gz QSSGWZPXFMKHIO-RBUKOAKNSA-N 1 2 392.927 3.563 20 30 GHEDLO CC1(C)CO[C@@H](c2cccc(Cl)c2)C[N@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599468850 861217115 /nfs/dbraw/zinc/21/71/15/861217115.db2.gz QSSGWZPXFMKHIO-RBUKOAKNSA-N 1 2 392.927 3.563 20 30 GHEDLO O=C(NCc1nc(C(F)(F)F)n[nH]1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000330100911 841724953 /nfs/dbraw/zinc/72/49/53/841724953.db2.gz DXRGMUYPQAVISI-LBPRGKRZSA-N 1 2 396.417 3.787 20 30 GHEDLO O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000329274689 861232331 /nfs/dbraw/zinc/23/23/31/861232331.db2.gz JMTKDCLEZQCOOI-UHFFFAOYSA-N 1 2 384.524 3.610 20 30 GHEDLO CC(C)(CNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[NH+]1CCOCC1 ZINC000098024271 842208868 /nfs/dbraw/zinc/20/88/68/842208868.db2.gz RRVBGFQKQFPJIM-UHFFFAOYSA-N 1 2 394.475 3.583 20 30 GHEDLO C[C@@H](O[NH+]=C(N)Cc1ccccc1Cl)C(=O)NCc1ccccc1Cl ZINC000097571166 842574264 /nfs/dbraw/zinc/57/42/64/842574264.db2.gz BRRCSAGJIXYVGW-GFCCVEGCSA-N 1 2 380.275 3.530 20 30 GHEDLO N#Cc1ccc(C2CCN(C(=O)NCc3ccccc3Cn3cc[nH+]c3)CC2)cc1 ZINC000891688211 842646460 /nfs/dbraw/zinc/64/64/60/842646460.db2.gz JWXGTJNSGWKZBS-UHFFFAOYSA-N 1 2 399.498 3.892 20 30 GHEDLO N#Cc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)c1F ZINC000510600154 843021335 /nfs/dbraw/zinc/02/13/35/843021335.db2.gz RDIZWPWZJSCNCL-OAQYLSRUSA-N 1 2 379.479 3.801 20 30 GHEDLO N#Cc1cccc(C[N@H+]2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)c1F ZINC000510600154 843021348 /nfs/dbraw/zinc/02/13/48/843021348.db2.gz RDIZWPWZJSCNCL-OAQYLSRUSA-N 1 2 379.479 3.801 20 30 GHEDLO N#CCCn1cc(C[N@@H+]2CCc3[nH]c4ccccc4c3C2)c(-c2ccncc2)n1 ZINC000279380499 843030989 /nfs/dbraw/zinc/03/09/89/843030989.db2.gz KCKDBELPVYDDAG-UHFFFAOYSA-N 1 2 382.471 3.898 20 30 GHEDLO N#CCCn1cc(C[N@H+]2CCc3[nH]c4ccccc4c3C2)c(-c2ccncc2)n1 ZINC000279380499 843030998 /nfs/dbraw/zinc/03/09/98/843030998.db2.gz KCKDBELPVYDDAG-UHFFFAOYSA-N 1 2 382.471 3.898 20 30 GHEDLO C[C@@H](c1cccc(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)c1)[NH+]1CCOCC1 ZINC000481441914 861398784 /nfs/dbraw/zinc/39/87/84/861398784.db2.gz WRYFYTPZZZHWTG-KRWDZBQOSA-N 1 2 393.487 3.748 20 30 GHEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)Nc3ccc(F)c(C#N)c3)CC2)cc1 ZINC000176092903 843307432 /nfs/dbraw/zinc/30/74/32/843307432.db2.gz HTTQKOQIDYIVNK-UHFFFAOYSA-N 1 2 381.455 3.554 20 30 GHEDLO Cc1nnc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc(Br)c3)C2)[nH]1 ZINC000329429918 861408101 /nfs/dbraw/zinc/40/81/01/861408101.db2.gz HYWLQEOGMBYMFM-WCQYABFASA-N 1 2 392.301 3.732 20 30 GHEDLO Cc1nnc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc(Br)c3)C2)[nH]1 ZINC000329429918 861408106 /nfs/dbraw/zinc/40/81/06/861408106.db2.gz HYWLQEOGMBYMFM-WCQYABFASA-N 1 2 392.301 3.732 20 30 GHEDLO COc1ccc(C(=O)CC[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cc1 ZINC000510759726 843414069 /nfs/dbraw/zinc/41/40/69/843414069.db2.gz AKFKWQWNHXUDAQ-OAQYLSRUSA-N 1 2 397.906 3.804 20 30 GHEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000510878818 843697013 /nfs/dbraw/zinc/69/70/13/843697013.db2.gz OYKMGYRDTYRGSZ-UHFFFAOYSA-N 1 2 386.455 3.736 20 30 GHEDLO Cc1[nH+]cc(CN2CCN(c3cccc(F)c3C#N)CC2)n1-c1ccccc1 ZINC000509533897 843797485 /nfs/dbraw/zinc/79/74/85/843797485.db2.gz URVAEZUKTQFZFV-UHFFFAOYSA-N 1 2 375.451 3.514 20 30 GHEDLO Cc1ncc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)n1-c1ccccc1 ZINC000509533897 843797493 /nfs/dbraw/zinc/79/74/93/843797493.db2.gz URVAEZUKTQFZFV-UHFFFAOYSA-N 1 2 375.451 3.514 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000512818730 843814284 /nfs/dbraw/zinc/81/42/84/843814284.db2.gz XZOROZKYSZVTQC-CHWSQXEVSA-N 1 2 397.491 3.777 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000512818730 843814295 /nfs/dbraw/zinc/81/42/95/843814295.db2.gz XZOROZKYSZVTQC-CHWSQXEVSA-N 1 2 397.491 3.777 20 30 GHEDLO COc1ccc([C@H]([NH2+][C@H](C)C(=O)NC2(C#N)CCCCC2)c2ccco2)cc1 ZINC000419286081 843865876 /nfs/dbraw/zinc/86/58/76/843865876.db2.gz NSWIOPRSBLYAJJ-UZLBHIALSA-N 1 2 381.476 3.698 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000512852840 843875445 /nfs/dbraw/zinc/87/54/45/843875445.db2.gz YKDDNKDIKHTWBO-ZIAGYGMSSA-N 1 2 383.464 3.580 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000512852840 843875456 /nfs/dbraw/zinc/87/54/56/843875456.db2.gz YKDDNKDIKHTWBO-ZIAGYGMSSA-N 1 2 383.464 3.580 20 30 GHEDLO CCOc1ccc([C@@H]2CCC[N@@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000176197545 844820143 /nfs/dbraw/zinc/82/01/43/844820143.db2.gz IYCFUSPIKCLZTR-NRFANRHFSA-N 1 2 384.501 3.568 20 30 GHEDLO CCOc1ccc([C@@H]2CCC[N@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000176197545 844820146 /nfs/dbraw/zinc/82/01/46/844820146.db2.gz IYCFUSPIKCLZTR-NRFANRHFSA-N 1 2 384.501 3.568 20 30 GHEDLO CC(C)(C#N)c1ccc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 ZINC000614171390 844849446 /nfs/dbraw/zinc/84/94/46/844849446.db2.gz VTHCXSJLQSJYGA-UHFFFAOYSA-N 1 2 375.476 3.547 20 30 GHEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(Sc3ccc(Cl)cc3)CC2)cc1 ZINC000134858006 845228852 /nfs/dbraw/zinc/22/88/52/845228852.db2.gz XCIQZEVDDLLDMH-LJQANCHMSA-N 1 2 385.920 3.995 20 30 GHEDLO Cc1cccc(C)c1NC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512802308 845568360 /nfs/dbraw/zinc/56/83/60/845568360.db2.gz SEVSAHQISPXNQT-UHFFFAOYSA-N 1 2 381.451 3.796 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)CSc3ccc(C#N)cc3)n2)C1 ZINC000119641260 845735989 /nfs/dbraw/zinc/73/59/89/845735989.db2.gz BSJGLSBLPXETOB-CQSZACIVSA-N 1 2 386.546 3.977 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)CSc3ccc(C#N)cc3)n2)C1 ZINC000119641260 845735995 /nfs/dbraw/zinc/73/59/95/845735995.db2.gz BSJGLSBLPXETOB-CQSZACIVSA-N 1 2 386.546 3.977 20 30 GHEDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502549292 846188293 /nfs/dbraw/zinc/18/82/93/846188293.db2.gz VCZNZZXBZFTMFR-HNNXBMFYSA-N 1 2 376.416 3.583 20 30 GHEDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502549292 846188301 /nfs/dbraw/zinc/18/83/01/846188301.db2.gz VCZNZZXBZFTMFR-HNNXBMFYSA-N 1 2 376.416 3.583 20 30 GHEDLO CC(C)(C(=O)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1)c1cc(F)cc(C#N)c1 ZINC001168741910 861664792 /nfs/dbraw/zinc/66/47/92/861664792.db2.gz GWHLGGZGLFTURH-LJQANCHMSA-N 1 2 385.870 3.801 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)c2ncc(C#N)cc2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000551815243 846528135 /nfs/dbraw/zinc/52/81/35/846528135.db2.gz SJGPPQHWFUJJJG-PKOBYXMFSA-N 1 2 386.858 3.620 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)c2ncc(C#N)cc2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000551815243 846528144 /nfs/dbraw/zinc/52/81/44/846528144.db2.gz SJGPPQHWFUJJJG-PKOBYXMFSA-N 1 2 386.858 3.620 20 30 GHEDLO COCC1=CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)CC1 ZINC000185859784 861720947 /nfs/dbraw/zinc/72/09/47/861720947.db2.gz MQBVMYMQLHPDEV-UHFFFAOYSA-N 1 2 384.524 3.699 20 30 GHEDLO COCC1=CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)CC1 ZINC000185859784 861720958 /nfs/dbraw/zinc/72/09/58/861720958.db2.gz MQBVMYMQLHPDEV-UHFFFAOYSA-N 1 2 384.524 3.699 20 30 GHEDLO N#Cc1cccc(OCC[NH+]2CCN(C(=O)c3cccc4ccccc43)CC2)c1 ZINC000051590879 846838937 /nfs/dbraw/zinc/83/89/37/846838937.db2.gz XMMPNULVRLBRAT-UHFFFAOYSA-N 1 2 385.467 3.548 20 30 GHEDLO Cc1c(C#N)cccc1NC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000178568043 847084143 /nfs/dbraw/zinc/08/41/43/847084143.db2.gz VPXUZAYNTXZGEG-UHFFFAOYSA-N 1 2 377.492 3.723 20 30 GHEDLO Cc1cc(Br)cn2c(CN(CCC#N)Cc3ccccn3)c[nH+]c12 ZINC000273522697 847362929 /nfs/dbraw/zinc/36/29/29/847362929.db2.gz QUGNPESUYNRABC-UHFFFAOYSA-N 1 2 384.281 3.716 20 30 GHEDLO Cc1cc(F)ccc1N1CCC[C@H](NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000329656889 861919263 /nfs/dbraw/zinc/91/92/63/861919263.db2.gz MWUKOTMFYFBGJV-SFHVURJKSA-N 1 2 385.487 3.620 20 30 GHEDLO C=CCOc1ccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cc1OC ZINC000434990952 849977833 /nfs/dbraw/zinc/97/78/33/849977833.db2.gz LRKVPJGCJWDXTH-OAQYLSRUSA-N 1 2 377.488 3.642 20 30 GHEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N2CCC(CCC#N)CC2)C[C@H](C)O1 ZINC000514600159 850042958 /nfs/dbraw/zinc/04/29/58/850042958.db2.gz MGTQNQWRCTVYHD-ROUUACIJSA-N 1 2 384.524 3.843 20 30 GHEDLO CCC[C@H]([NH2+]Cc1nc(C#N)cs1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000514636052 850084423 /nfs/dbraw/zinc/08/44/23/850084423.db2.gz KIWSCLXEBOMZDQ-SFHVURJKSA-N 1 2 383.521 3.512 20 30 GHEDLO C[C@@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000514738281 850220977 /nfs/dbraw/zinc/22/09/77/850220977.db2.gz XJLFIYKEPYLDJP-OAHLLOKOSA-N 1 2 393.878 3.972 20 30 GHEDLO C[C@@H]1CN(c2cccc(Cl)c2)CC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000514738281 850220986 /nfs/dbraw/zinc/22/09/86/850220986.db2.gz XJLFIYKEPYLDJP-OAHLLOKOSA-N 1 2 393.878 3.972 20 30 GHEDLO C=CCn1cc(C[NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)nn1 ZINC000424166298 850273330 /nfs/dbraw/zinc/27/33/30/850273330.db2.gz AFOWANGBLAYYEV-UHFFFAOYSA-N 1 2 375.192 3.535 20 30 GHEDLO C=CCC1(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)CCOCC1 ZINC000424644530 850596259 /nfs/dbraw/zinc/59/62/59/850596259.db2.gz MWQXETQIHIXWSM-UHFFFAOYSA-N 1 2 393.491 3.635 20 30 GHEDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3cc(C#N)ccc3Cl)CC2)cc1 ZINC000505200811 850709105 /nfs/dbraw/zinc/70/91/05/850709105.db2.gz FUIUXGDTGMVODN-UHFFFAOYSA-N 1 2 383.879 3.568 20 30 GHEDLO CC[C@H](C)c1ccc(S(=O)(=O)N2CC[NH+](CC(C)(C)CCC#N)CC2)cc1 ZINC000506808787 850964770 /nfs/dbraw/zinc/96/47/70/850964770.db2.gz ZORUCRSLVAOYQZ-SFHVURJKSA-N 1 2 391.581 3.836 20 30 GHEDLO N#Cc1cccc(OCCCCC(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)c1 ZINC000513997900 851099554 /nfs/dbraw/zinc/09/95/54/851099554.db2.gz XCPHHHBSFIUOPO-NRFANRHFSA-N 1 2 397.906 3.934 20 30 GHEDLO Cc1oc(C#N)cc1C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000436067080 851165517 /nfs/dbraw/zinc/16/55/17/851165517.db2.gz FDEMPRYMXPHAIM-KRWDZBQOSA-N 1 2 375.831 3.819 20 30 GHEDLO C#CCOc1ccc(NC(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)cc1 ZINC000732433676 862290876 /nfs/dbraw/zinc/29/08/76/862290876.db2.gz NPSALOSLMFZWNG-KRWDZBQOSA-N 1 2 399.441 3.763 20 30 GHEDLO C#CCOc1ccc(NC(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)cc1 ZINC000732433676 862290888 /nfs/dbraw/zinc/29/08/88/862290888.db2.gz NPSALOSLMFZWNG-KRWDZBQOSA-N 1 2 399.441 3.763 20 30 GHEDLO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2C#N)CC1)c1ccc(Cl)cc1 ZINC000507295597 852758770 /nfs/dbraw/zinc/75/87/70/852758770.db2.gz IMJPKKNROPTCAI-IAGOWNOFSA-N 1 2 396.922 3.600 20 30 GHEDLO COCc1cc(Cl)ccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000425732899 852803009 /nfs/dbraw/zinc/80/30/09/852803009.db2.gz IFKBSRQDGKJRDM-UHFFFAOYSA-N 1 2 398.894 3.708 20 30 GHEDLO N#Cc1ccc(C2CCN(C(=O)C[C@@H](c3[nH]cc[nH+]3)c3ccccc3)CC2)nc1 ZINC000912929902 852896525 /nfs/dbraw/zinc/89/65/25/852896525.db2.gz VFLVRLFQFNKZRR-HXUWFJFHSA-N 1 2 385.471 3.605 20 30 GHEDLO C[C@@H](CC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)NC(=O)C1CCCC1 ZINC000329900526 862408598 /nfs/dbraw/zinc/40/85/98/862408598.db2.gz NVAGKYKBACJTQN-INIZCTEOSA-N 1 2 386.540 3.851 20 30 GHEDLO O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)N2CCC[C@]3(CCCOC3)C2)c1 ZINC000329912773 862418540 /nfs/dbraw/zinc/41/85/40/862418540.db2.gz BLQMXGMCXUQZDT-QFIPXVFZSA-N 1 2 396.491 3.594 20 30 GHEDLO O=C(C[N@H+]1CCSC[C@@H]1CCO)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000329923460 862428428 /nfs/dbraw/zinc/42/84/28/862428428.db2.gz ULARELQGGHREKO-INIZCTEOSA-N 1 2 392.521 3.506 20 30 GHEDLO O=C(C[N@@H+]1CCSC[C@@H]1CCO)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000329923460 862428431 /nfs/dbraw/zinc/42/84/31/862428431.db2.gz ULARELQGGHREKO-INIZCTEOSA-N 1 2 392.521 3.506 20 30 GHEDLO CCOCCOc1ccc(Br)cc1C[NH+]1CCC(C)(C#N)CC1 ZINC000507708514 853209917 /nfs/dbraw/zinc/20/99/17/853209917.db2.gz MXEMOKKIFZYBKB-UHFFFAOYSA-N 1 2 381.314 3.990 20 30 GHEDLO Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000517074376 853308866 /nfs/dbraw/zinc/30/88/66/853308866.db2.gz NBEOIDGYTQFUPR-IBGZPJMESA-N 1 2 388.446 3.998 20 30 GHEDLO CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C/c2c[nH+]c3ccc(C)cn23)cc1 ZINC000151386988 853372528 /nfs/dbraw/zinc/37/25/28/853372528.db2.gz IVZZZQPOPFTBQV-FMIVXFBMSA-N 1 2 397.500 3.569 20 30 GHEDLO C=CCOc1ccc(C[NH+]2CCN(C(=O)c3ccccc3OCC)CC2)cc1 ZINC000506567549 853625263 /nfs/dbraw/zinc/62/52/63/853625263.db2.gz GQXLAQOKNFYPFT-UHFFFAOYSA-N 1 2 380.488 3.608 20 30 GHEDLO N#Cc1ccnc(N2CC[NH+](Cc3cc(-c4ccc(Cl)cc4)no3)CC2)c1 ZINC000044714743 853811320 /nfs/dbraw/zinc/81/13/20/853811320.db2.gz DDTSWJXFDHJRGW-UHFFFAOYSA-N 1 2 379.851 3.584 20 30 GHEDLO CCCOc1ccc2c(c1)CC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)C2 ZINC000441077441 853876131 /nfs/dbraw/zinc/87/61/31/853876131.db2.gz HAHXNKFYIWAUHL-UHFFFAOYSA-N 1 2 377.488 3.780 20 30 GHEDLO CCCOc1ccc2c(c1)CC[N@H+](CC(=O)N(CCC#N)c1ccccc1)C2 ZINC000441077441 853876136 /nfs/dbraw/zinc/87/61/36/853876136.db2.gz HAHXNKFYIWAUHL-UHFFFAOYSA-N 1 2 377.488 3.780 20 30 GHEDLO COc1cc(OC)c2ncc(C#N)c(NCCc3cn4cccc(C)c4[nH+]3)c2c1 ZINC000587990007 854059643 /nfs/dbraw/zinc/05/96/43/854059643.db2.gz PMTNTVJXOGBOCJ-UHFFFAOYSA-N 1 2 387.443 3.734 20 30 GHEDLO N#CCc1cccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000520347371 854114913 /nfs/dbraw/zinc/11/49/13/854114913.db2.gz ZMLHXYGDNCPGGV-LJQANCHMSA-N 1 2 385.870 3.940 20 30 GHEDLO N#CCc1cccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000520347371 854114917 /nfs/dbraw/zinc/11/49/17/854114917.db2.gz ZMLHXYGDNCPGGV-LJQANCHMSA-N 1 2 385.870 3.940 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCCc3cccc(C#N)c3)n2)C1 ZINC000572010376 854353754 /nfs/dbraw/zinc/35/37/54/854353754.db2.gz OBXSYSPBBHJPER-OAHLLOKOSA-N 1 2 383.521 3.611 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCCc3cccc(C#N)c3)n2)C1 ZINC000572010376 854353760 /nfs/dbraw/zinc/35/37/60/854353760.db2.gz OBXSYSPBBHJPER-OAHLLOKOSA-N 1 2 383.521 3.611 20 30 GHEDLO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000330088347 862564487 /nfs/dbraw/zinc/56/44/87/862564487.db2.gz NXOXLUGAPZNKMU-BXUZGUMPSA-N 1 2 393.274 3.514 20 30 GHEDLO O=C(C[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1)Nc1nc2c(s1)CCC2 ZINC000328623528 854485467 /nfs/dbraw/zinc/48/54/67/854485467.db2.gz YYAUXQWGSMODMP-SNVBAGLBSA-N 1 2 399.442 3.841 20 30 GHEDLO O=C(C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1)Nc1nc2c(s1)CCC2 ZINC000328623528 854485471 /nfs/dbraw/zinc/48/54/71/854485471.db2.gz YYAUXQWGSMODMP-SNVBAGLBSA-N 1 2 399.442 3.841 20 30 GHEDLO O=C(Nc1ccc(F)cc1)c1nnc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)s1 ZINC000328835606 854568741 /nfs/dbraw/zinc/56/87/41/854568741.db2.gz MJYIIIHTDUBVPQ-AWEZNQCLSA-N 1 2 390.484 3.562 20 30 GHEDLO O=C(Nc1ccc(F)cc1)c1nnc(C[N@H+]2CC[C@H](C3CCOCC3)C2)s1 ZINC000328835606 854568748 /nfs/dbraw/zinc/56/87/48/854568748.db2.gz MJYIIIHTDUBVPQ-AWEZNQCLSA-N 1 2 390.484 3.562 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCCC[C@@H]2C(N)=O)[C@H]1c1ccc(F)c(F)c1 ZINC000328948526 854613434 /nfs/dbraw/zinc/61/34/34/854613434.db2.gz KNJAZLCKLBEHPI-HNONPPJISA-N 1 2 394.466 3.698 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCCCC[C@@H]2C(N)=O)[C@H]1c1ccc(F)c(F)c1 ZINC000328948526 854613443 /nfs/dbraw/zinc/61/34/43/854613443.db2.gz KNJAZLCKLBEHPI-HNONPPJISA-N 1 2 394.466 3.698 20 30 GHEDLO COc1ccc([C@H](NC(=O)C[N@@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)C(C)C)cc1 ZINC000330139788 862607460 /nfs/dbraw/zinc/60/74/60/862607460.db2.gz WMAGAHRIMCHPHM-MTNREXPMSA-N 1 2 390.524 3.619 20 30 GHEDLO COc1ccc([C@H](NC(=O)C[N@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)C(C)C)cc1 ZINC000330139788 862607469 /nfs/dbraw/zinc/60/74/69/862607469.db2.gz WMAGAHRIMCHPHM-MTNREXPMSA-N 1 2 390.524 3.619 20 30 GHEDLO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000589517511 854974574 /nfs/dbraw/zinc/97/45/74/854974574.db2.gz DQSWSODILLEDLA-UHFFFAOYSA-N 1 2 381.423 3.777 20 30 GHEDLO CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000589517511 854974586 /nfs/dbraw/zinc/97/45/86/854974586.db2.gz DQSWSODILLEDLA-UHFFFAOYSA-N 1 2 381.423 3.777 20 30 GHEDLO N#Cc1cc(Oc2ccc(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccn3)cc2)ccn1 ZINC000589959110 855206917 /nfs/dbraw/zinc/20/69/17/855206917.db2.gz IIZMWLSBYUBKMJ-QFIPXVFZSA-N 1 2 399.454 3.744 20 30 GHEDLO N#Cc1cc(Oc2ccc(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccccn3)cc2)ccn1 ZINC000589959110 855206923 /nfs/dbraw/zinc/20/69/23/855206923.db2.gz IIZMWLSBYUBKMJ-QFIPXVFZSA-N 1 2 399.454 3.744 20 30 GHEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000590638834 855523922 /nfs/dbraw/zinc/52/39/22/855523922.db2.gz UJDGXKCDCCLMMI-UHFFFAOYSA-N 1 2 383.839 3.540 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N[C@@H]2CCOC3(CCC3)C2)C[C@H](C)O1 ZINC000330259720 862700847 /nfs/dbraw/zinc/70/08/47/862700847.db2.gz NPGDRDFEDHPCQC-ZIFCJYIRSA-N 1 2 387.524 3.723 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N[C@@H]2CCOC3(CCC3)C2)C[C@H](C)O1 ZINC000330259720 862700861 /nfs/dbraw/zinc/70/08/61/862700861.db2.gz NPGDRDFEDHPCQC-ZIFCJYIRSA-N 1 2 387.524 3.723 20 30 GHEDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000330264553 862705654 /nfs/dbraw/zinc/70/56/54/862705654.db2.gz YBUXYUQAWZTLRV-XUVXKRRUSA-N 1 2 392.503 3.979 20 30 GHEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1 ZINC000128959043 856014054 /nfs/dbraw/zinc/01/40/54/856014054.db2.gz BTDHXJZFVKSMRA-INIZCTEOSA-N 1 2 383.517 3.683 20 30 GHEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000129018187 856612374 /nfs/dbraw/zinc/61/23/74/856612374.db2.gz BFXUUFDIGWZQHJ-INIZCTEOSA-N 1 2 385.558 3.758 20 30 GHEDLO CS(=O)(=O)c1cccc([C@H]([NH2+]Cc2ccc(C#N)cc2F)c2ccccc2)c1 ZINC000172943103 856675532 /nfs/dbraw/zinc/67/55/32/856675532.db2.gz WIHUBVUYIKIGIZ-JOCHJYFZSA-N 1 2 394.471 3.980 20 30 GHEDLO C[C@H](Oc1ccccc1C#N)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000509207280 862829572 /nfs/dbraw/zinc/82/95/72/862829572.db2.gz ADLOKBOBNDCOFV-GJZGRUSLSA-N 1 2 384.505 3.653 20 30 GHEDLO C[C@H](Oc1ccccc1C#N)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000509207280 862829587 /nfs/dbraw/zinc/82/95/87/862829587.db2.gz ADLOKBOBNDCOFV-GJZGRUSLSA-N 1 2 384.505 3.653 20 30 GHEDLO C[N@@H+](Cc1cccc(F)c1C#N)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000428228727 857241191 /nfs/dbraw/zinc/24/11/91/857241191.db2.gz LOCPUJOZXAIZTQ-CQSZACIVSA-N 1 2 382.357 3.588 20 30 GHEDLO C[N@H+](Cc1cccc(F)c1C#N)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000428228727 857241198 /nfs/dbraw/zinc/24/11/98/857241198.db2.gz LOCPUJOZXAIZTQ-CQSZACIVSA-N 1 2 382.357 3.588 20 30 GHEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000066178075 857992133 /nfs/dbraw/zinc/99/21/33/857992133.db2.gz IPQDRQNKYQMZQH-UHFFFAOYSA-N 1 2 387.487 3.923 20 30 GHEDLO CCCCOc1ccc(C[NH+]2CCN(c3cnccc3C#N)CC2)cc1OCC ZINC000574586222 858070950 /nfs/dbraw/zinc/07/09/50/858070950.db2.gz QKCUAIHGGVTHEP-UHFFFAOYSA-N 1 2 394.519 3.853 20 30 GHEDLO Cc1ccc(CN(C)c2cc(C)[nH+]c(N(C)Cc3ccc(C)cn3)c2C#N)nc1 ZINC000596206194 858830309 /nfs/dbraw/zinc/83/03/09/858830309.db2.gz ILIIFBZDZGNVQR-UHFFFAOYSA-N 1 2 386.503 3.941 20 30 GHEDLO C=CCOc1c(Cl)cc(C[NH2+]Cc2nc3c(s2)COCC3)cc1OC ZINC000922960916 858900322 /nfs/dbraw/zinc/90/03/22/858900322.db2.gz VMDBCPUYVJQHPK-UHFFFAOYSA-N 1 2 380.897 3.732 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](c2noc(Cc3c(F)cccc3C#N)n2)O1 ZINC000596614309 858968316 /nfs/dbraw/zinc/96/83/16/858968316.db2.gz VQFPPRJNKIDWHM-FOIQADDNSA-N 1 2 392.434 3.633 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](c2noc(Cc3c(F)cccc3C#N)n2)O1 ZINC000596614309 858968330 /nfs/dbraw/zinc/96/83/30/858968330.db2.gz VQFPPRJNKIDWHM-FOIQADDNSA-N 1 2 392.434 3.633 20 30 GHEDLO C=CC[N@H+](Cc1nccn1-c1ccccc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000483272603 859245314 /nfs/dbraw/zinc/24/53/14/859245314.db2.gz RFJPACQJTGBSKD-SFHVURJKSA-N 1 2 385.475 3.597 20 30 GHEDLO C=CC[N@@H+](Cc1nccn1-c1ccccc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000483272603 859245323 /nfs/dbraw/zinc/24/53/23/859245323.db2.gz RFJPACQJTGBSKD-SFHVURJKSA-N 1 2 385.475 3.597 20 30 GHEDLO C[N@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000597085066 859275293 /nfs/dbraw/zinc/27/52/93/859275293.db2.gz BHBOTGKFVCVAAP-SFHVURJKSA-N 1 2 398.304 3.663 20 30 GHEDLO C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000597085066 859275301 /nfs/dbraw/zinc/27/53/01/859275301.db2.gz BHBOTGKFVCVAAP-SFHVURJKSA-N 1 2 398.304 3.663 20 30 GHEDLO COc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000597175245 859336391 /nfs/dbraw/zinc/33/63/91/859336391.db2.gz XIKVRUOTNKOHLA-LBPRGKRZSA-N 1 2 387.358 3.670 20 30 GHEDLO COc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000597175245 859336402 /nfs/dbraw/zinc/33/64/02/859336402.db2.gz XIKVRUOTNKOHLA-LBPRGKRZSA-N 1 2 387.358 3.670 20 30 GHEDLO N#Cc1ccc(-c2cc(N3CC[NH+](Cc4cnc(C5CC5)s4)CC3)n[nH]2)cc1 ZINC000597202676 859358893 /nfs/dbraw/zinc/35/88/93/859358893.db2.gz IBVVRKUACLEWRI-UHFFFAOYSA-N 1 2 390.516 3.604 20 30 GHEDLO CCOc1cc(C[N@@H+]2CC[C@](C)(C#N)C2)ccc1OCC(=O)Nc1ccccc1 ZINC000597231132 859365529 /nfs/dbraw/zinc/36/55/29/859365529.db2.gz WPBDNTFLFVBUQF-HSZRJFAPSA-N 1 2 393.487 3.838 20 30 GHEDLO CCOc1cc(C[N@H+]2CC[C@](C)(C#N)C2)ccc1OCC(=O)Nc1ccccc1 ZINC000597231132 859365535 /nfs/dbraw/zinc/36/55/35/859365535.db2.gz WPBDNTFLFVBUQF-HSZRJFAPSA-N 1 2 393.487 3.838 20 30 GHEDLO N#Cc1cc(Cl)c(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)c(Cl)c1 ZINC000611096823 859608945 /nfs/dbraw/zinc/60/89/45/859608945.db2.gz KPLOPDCBTXXEBF-UHFFFAOYSA-N 1 2 390.270 3.950 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)Cc1c(C)nc2sccn21 ZINC000474274499 859743197 /nfs/dbraw/zinc/74/31/97/859743197.db2.gz GGQUWIPSUJNRGO-HNNXBMFYSA-N 1 2 388.562 3.801 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)Cc1c(C)nc2sccn21 ZINC000474274499 859743205 /nfs/dbraw/zinc/74/32/05/859743205.db2.gz GGQUWIPSUJNRGO-HNNXBMFYSA-N 1 2 388.562 3.801 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](C(F)(F)F)CC[C@@H]2C)cc1 ZINC000611554344 859802885 /nfs/dbraw/zinc/80/28/85/859802885.db2.gz MEOVBEDWIQAJDR-HOTGVXAUSA-N 1 2 397.441 3.995 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](C(F)(F)F)CC[C@@H]2C)cc1 ZINC000611554344 859802890 /nfs/dbraw/zinc/80/28/90/859802890.db2.gz MEOVBEDWIQAJDR-HOTGVXAUSA-N 1 2 397.441 3.995 20 30 GHEDLO CCOc1ccc(C[NH+]2CCN(C(=O)C[C@H](CC#N)c3ccccc3)CC2)cc1 ZINC000474415891 860014233 /nfs/dbraw/zinc/01/42/33/860014233.db2.gz RMKVXPGDKLPINB-QFIPXVFZSA-N 1 2 391.515 3.817 20 30 GHEDLO N#Cc1ccc(N[NH+]=Cc2ccc(N3CCOCC3)c(F)c2)cc1C(F)(F)F ZINC000727257557 860017836 /nfs/dbraw/zinc/01/78/36/860017836.db2.gz RWQLYMQUHWEUMQ-UHFFFAOYSA-N 1 2 392.356 3.999 20 30 GHEDLO C#Cc1cccc(NC(=S)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000765521692 860062855 /nfs/dbraw/zinc/06/28/55/860062855.db2.gz SWBSELJDHSJKAH-PMACEKPBSA-N 1 2 399.947 3.680 20 30 GHEDLO C#Cc1cccc(NC(=S)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000765521692 860062862 /nfs/dbraw/zinc/06/28/62/860062862.db2.gz SWBSELJDHSJKAH-PMACEKPBSA-N 1 2 399.947 3.680 20 30 GHEDLO C=CCOc1c(Cl)cc(C[NH2+]Cc2nc(CN(C)C)cs2)cc1OC ZINC000922487882 860066200 /nfs/dbraw/zinc/06/62/00/860066200.db2.gz WVJSZFSZZIRIGW-UHFFFAOYSA-N 1 2 381.929 3.721 20 30 GHEDLO Fc1cccc(Cl)c1C[NH+]1CCC(=NNCCOCC(F)(F)F)CC1 ZINC000765600874 860296078 /nfs/dbraw/zinc/29/60/78/860296078.db2.gz TUJJOBPNHTUUOQ-UHFFFAOYSA-N 1 2 381.801 3.599 20 30 GHEDLO C[C@@H](c1nnc(-c2ccc3ccccc3c2)o1)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602851908 860314199 /nfs/dbraw/zinc/31/41/99/860314199.db2.gz YDSNCHSSZJHBOG-BBWFWOEESA-N 1 2 375.476 3.869 20 30 GHEDLO C[C@@H](c1nnc(-c2ccc3ccccc3c2)o1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602851908 860314207 /nfs/dbraw/zinc/31/42/07/860314207.db2.gz YDSNCHSSZJHBOG-BBWFWOEESA-N 1 2 375.476 3.869 20 30 GHEDLO C#CCC[NH+]1CCN(C(=O)[C@@H](Sc2ccccc2F)c2ccccc2)CC1 ZINC000729972374 860478381 /nfs/dbraw/zinc/47/83/81/860478381.db2.gz YNHJGTJDLLBZKE-NRFANRHFSA-N 1 2 382.504 3.827 20 30 GHEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000474690871 860641714 /nfs/dbraw/zinc/64/17/14/860641714.db2.gz GDPQFBKFOGXXNN-UHFFFAOYSA-N 1 2 382.414 3.933 20 30 GHEDLO Cc1noc([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3nc4ccc(F)cc4s3)C2)n1 ZINC000329022850 860953578 /nfs/dbraw/zinc/95/35/78/860953578.db2.gz IMXYPRYXIQSTIR-ONGXEEELSA-N 1 2 375.429 3.593 20 30 GHEDLO Cc1noc([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3nc4ccc(F)cc4s3)C2)n1 ZINC000329022850 860953591 /nfs/dbraw/zinc/95/35/91/860953591.db2.gz IMXYPRYXIQSTIR-ONGXEEELSA-N 1 2 375.429 3.593 20 30 GHEDLO CCC(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000329108313 861024178 /nfs/dbraw/zinc/02/41/78/861024178.db2.gz PLJVSNAWQPXCBG-QGZVFWFLSA-N 1 2 384.505 3.786 20 30 GHEDLO Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000329190340 861122244 /nfs/dbraw/zinc/12/22/44/861122244.db2.gz QZNDCQNJULTTKY-GOSISDBHSA-N 1 2 389.588 3.660 20 30 GHEDLO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1cc(Cl)ccc1OCC#N ZINC000735307085 864718424 /nfs/dbraw/zinc/71/84/24/864718424.db2.gz ZXIZICAUWVKMJU-UHFFFAOYSA-N 1 2 389.858 3.520 20 30 GHEDLO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1cc(Cl)ccc1OCC#N ZINC000735307085 864718428 /nfs/dbraw/zinc/71/84/28/864718428.db2.gz ZXIZICAUWVKMJU-UHFFFAOYSA-N 1 2 389.858 3.520 20 30 GHEDLO C[N@H+](Cc1cc(Cl)ccc1OCC#N)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000735310750 864735715 /nfs/dbraw/zinc/73/57/15/864735715.db2.gz DVHKBQLKTBVAMM-LJQANCHMSA-N 1 2 383.879 3.870 20 30 GHEDLO C[N@@H+](Cc1cc(Cl)ccc1OCC#N)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000735310750 864735719 /nfs/dbraw/zinc/73/57/19/864735719.db2.gz DVHKBQLKTBVAMM-LJQANCHMSA-N 1 2 383.879 3.870 20 30 GHEDLO CCC(CC)([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C(=O)OC ZINC000554846525 865010134 /nfs/dbraw/zinc/01/01/34/865010134.db2.gz ABUJFILEBAOXDP-UHFFFAOYSA-N 1 2 391.537 3.539 20 30 GHEDLO C[C@@H](O[NH+]=C(N)c1ccc(OCc2ccccc2)cc1)c1nc(C2CC2)no1 ZINC000174127875 865475828 /nfs/dbraw/zinc/47/58/28/865475828.db2.gz VRHVGHGJUICUEF-CQSZACIVSA-N 1 2 378.432 3.924 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)N2Cc3ccc(C#N)cc3C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000594234338 865501107 /nfs/dbraw/zinc/50/11/07/865501107.db2.gz VWEORDNCCGRQNB-VQTJNVASSA-N 1 2 398.869 3.821 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)N2Cc3ccc(C#N)cc3C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000594234338 865501117 /nfs/dbraw/zinc/50/11/17/865501117.db2.gz VWEORDNCCGRQNB-VQTJNVASSA-N 1 2 398.869 3.821 20 30 GHEDLO Cc1ccc(C[C@H](C)N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])s1 ZINC000738561395 865551634 /nfs/dbraw/zinc/55/16/34/865551634.db2.gz SHCSJZAFOLJFMY-ZDUSSCGKSA-N 1 2 380.517 3.647 20 30 GHEDLO CC[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1F ZINC000594250527 865605645 /nfs/dbraw/zinc/60/56/45/865605645.db2.gz KZVLPVNSBKIKRV-OAQYLSRUSA-N 1 2 380.467 3.676 20 30 GHEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000067523801 866191664 /nfs/dbraw/zinc/19/16/64/866191664.db2.gz IYEFIHWPJGSJQF-NRFANRHFSA-N 1 2 392.434 3.603 20 30 GHEDLO CC[N@H+](C)[C@H](C(=O)O[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000741150683 866290137 /nfs/dbraw/zinc/29/01/37/866290137.db2.gz LAXPMCHMTORJEO-KUHUBIRLSA-N 1 2 399.878 3.775 20 30 GHEDLO CC[N@@H+](C)[C@H](C(=O)O[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000741150683 866290154 /nfs/dbraw/zinc/29/01/54/866290154.db2.gz LAXPMCHMTORJEO-KUHUBIRLSA-N 1 2 399.878 3.775 20 30 GHEDLO FC(F)(F)c1ccccc1N[NH+]=Cc1c(N2CCOCC2)nc2ccccn21 ZINC000741811309 866807460 /nfs/dbraw/zinc/80/74/60/866807460.db2.gz RMSMUVHCZBCAFU-UHFFFAOYSA-N 1 2 389.381 3.636 20 30 GHEDLO COC(=O)c1cccc(C[N@H+](C)Cc2ccc(OC)c(OC(F)F)c2)c1C#N ZINC000534490328 866912249 /nfs/dbraw/zinc/91/22/49/866912249.db2.gz DAQJDFXFPSBEEY-UHFFFAOYSA-N 1 2 390.386 3.587 20 30 GHEDLO COC(=O)c1cccc(C[N@@H+](C)Cc2ccc(OC)c(OC(F)F)c2)c1C#N ZINC000534490328 866912263 /nfs/dbraw/zinc/91/22/63/866912263.db2.gz DAQJDFXFPSBEEY-UHFFFAOYSA-N 1 2 390.386 3.587 20 30 GHEDLO C=CC[N@@H+](C)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(OC)c(OC)c1 ZINC000121528835 882151669 /nfs/dbraw/zinc/15/16/69/882151669.db2.gz DRVFXCKAFWOFSA-KRWDZBQOSA-N 1 2 399.516 3.561 20 30 GHEDLO C=CC[N@H+](C)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(OC)c(OC)c1 ZINC000121528835 882151679 /nfs/dbraw/zinc/15/16/79/882151679.db2.gz DRVFXCKAFWOFSA-KRWDZBQOSA-N 1 2 399.516 3.561 20 30 GHEDLO C[C@@H]1C(=O)N(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)[C@@H]1c1ccccc1 ZINC000743363590 868114976 /nfs/dbraw/zinc/11/49/76/868114976.db2.gz VJQCRJHMYHJOCM-JTSKRJEESA-N 1 2 375.472 3.579 20 30 GHEDLO CC(C)(CC#N)CNC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000457660229 868592270 /nfs/dbraw/zinc/59/22/70/868592270.db2.gz FSMIDIOPCDOYHI-MRXNPFEDSA-N 1 2 380.895 3.855 20 30 GHEDLO C[N@@H+](Cc1cccc(OC(F)(F)F)c1)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793503342 882251654 /nfs/dbraw/zinc/25/16/54/882251654.db2.gz HQUZSCJGLDEJSY-UHFFFAOYSA-N 1 2 391.393 3.587 20 30 GHEDLO C[N@H+](Cc1cccc(OC(F)(F)F)c1)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793503342 882251670 /nfs/dbraw/zinc/25/16/70/882251670.db2.gz HQUZSCJGLDEJSY-UHFFFAOYSA-N 1 2 391.393 3.587 20 30 GHEDLO C=CCN(CCc1ccccc1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000524452045 869101668 /nfs/dbraw/zinc/10/16/68/869101668.db2.gz UEYJRIGMLAXWSI-UHFFFAOYSA-N 1 2 376.416 3.651 20 30 GHEDLO CC(C)[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)N[C@@]2(C[C@@H](C)CC(C)(C)C2)C1=O ZINC000746033814 869960703 /nfs/dbraw/zinc/96/07/03/869960703.db2.gz UVPLHQHIKIMOCC-GAJHUEQPSA-N 1 2 396.535 3.863 20 30 GHEDLO CC(C)[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)N[C@@]2(C[C@@H](C)CC(C)(C)C2)C1=O ZINC000746033814 869960708 /nfs/dbraw/zinc/96/07/08/869960708.db2.gz UVPLHQHIKIMOCC-GAJHUEQPSA-N 1 2 396.535 3.863 20 30 GHEDLO N#Cc1cccc(C(=O)Nc2ccc3c(c2)CC[C@@H]([NH+]2CCCC2)CC3)c1O ZINC001193652268 871216823 /nfs/dbraw/zinc/21/68/23/871216823.db2.gz BFUPQNNLJXQYBF-FQEVSTJZSA-N 1 2 375.472 3.859 20 30 GHEDLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1ccccc1Oc1ccccc1C#N ZINC000447657072 872042279 /nfs/dbraw/zinc/04/22/79/872042279.db2.gz DCLAMHDOBLMKBI-UHFFFAOYSA-N 1 2 393.487 3.533 20 30 GHEDLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1ccccc1Oc1ccccc1C#N ZINC000447657072 872042300 /nfs/dbraw/zinc/04/23/00/872042300.db2.gz DCLAMHDOBLMKBI-UHFFFAOYSA-N 1 2 393.487 3.533 20 30 GHEDLO N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000618852123 872076011 /nfs/dbraw/zinc/07/60/11/872076011.db2.gz RZFAZVYOPYEFEQ-ASFVYERGSA-N 1 2 386.499 3.586 20 30 GHEDLO N#Cc1ccc(N2CCC[C@H]([N@H+](Cc3ccccc3[N+](=O)[O-])C3CC3)C2=O)cc1 ZINC000447891646 872486598 /nfs/dbraw/zinc/48/65/98/872486598.db2.gz RFZKFCWBWXIPQR-NRFANRHFSA-N 1 2 390.443 3.626 20 30 GHEDLO N#Cc1ccc(N2CCC[C@H]([N@@H+](Cc3ccccc3[N+](=O)[O-])C3CC3)C2=O)cc1 ZINC000447891646 872486604 /nfs/dbraw/zinc/48/66/04/872486604.db2.gz RFZKFCWBWXIPQR-NRFANRHFSA-N 1 2 390.443 3.626 20 30 GHEDLO N#CCC1CCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000541048943 872830134 /nfs/dbraw/zinc/83/01/34/872830134.db2.gz ZKJBOMUTNNOXGV-GOSISDBHSA-N 1 2 390.325 3.738 20 30 GHEDLO N#Cc1ccc([C@@H](O)C[NH+]2CCN(c3c(Cl)cccc3Cl)CC2)cc1 ZINC000767929827 872963539 /nfs/dbraw/zinc/96/35/39/872963539.db2.gz BFZGHYOWZVFFCP-SFHVURJKSA-N 1 2 376.287 3.721 20 30 GHEDLO C=CCCc1ccc(S(=O)(=O)N2CC[NH2+][C@H](c3ccc(CC)cc3)C2)cc1 ZINC001196226481 872964933 /nfs/dbraw/zinc/96/49/33/872964933.db2.gz BETDXKOVFRXBSY-QFIPXVFZSA-N 1 2 384.545 3.703 20 30 GHEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[NH2+]C1(c2nccs2)CCCC1 ZINC000746493529 873095692 /nfs/dbraw/zinc/09/56/92/873095692.db2.gz YYULWASGHVCKFF-HNNXBMFYSA-N 1 2 389.484 3.739 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(OCc4ccccc4)nc3)CC2)cc1 ZINC001197041008 873534713 /nfs/dbraw/zinc/53/47/13/873534713.db2.gz FFOHUVAGNJHNAJ-UHFFFAOYSA-N 1 2 384.483 3.854 20 30 GHEDLO N#Cc1ccc(-c2ccc(C(=O)N3CC[N@@H+]4CCc5ccccc5[C@@H]4C3)o2)cc1 ZINC001197392999 873763930 /nfs/dbraw/zinc/76/39/30/873763930.db2.gz FOHMDEVYXBPMHW-NRFANRHFSA-N 1 2 383.451 3.873 20 30 GHEDLO N#Cc1ccc(-c2ccc(C(=O)N3CC[N@H+]4CCc5ccccc5[C@@H]4C3)o2)cc1 ZINC001197392999 873763932 /nfs/dbraw/zinc/76/39/32/873763932.db2.gz FOHMDEVYXBPMHW-NRFANRHFSA-N 1 2 383.451 3.873 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(c3ccc(C#N)cc3)CC2)c(C#N)c1C ZINC001198210760 874275273 /nfs/dbraw/zinc/27/52/73/874275273.db2.gz LOYOCGVFAMLKGZ-HNNXBMFYSA-N 1 2 376.460 3.846 20 30 GHEDLO CC(C)(C)OC(=O)NCc1ccc(C(N)=[NH+]OCc2ccc(Cl)cn2)cc1 ZINC000769842261 874320782 /nfs/dbraw/zinc/32/07/82/874320782.db2.gz LFEFFMSLWJBJOE-UHFFFAOYSA-N 1 2 390.871 3.597 20 30 GHEDLO Cn1cc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c(-c2ccc(F)cc2)n1 ZINC000449040108 874384338 /nfs/dbraw/zinc/38/43/38/874384338.db2.gz GJAZGQDAZIQEHO-OAQYLSRUSA-N 1 2 376.435 3.671 20 30 GHEDLO Cn1cc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c(-c2ccc(F)cc2)n1 ZINC000449040108 874384352 /nfs/dbraw/zinc/38/43/52/874384352.db2.gz GJAZGQDAZIQEHO-OAQYLSRUSA-N 1 2 376.435 3.671 20 30 GHEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cc(F)c(C(F)(F)F)cc3F)C2)nc1 ZINC000428815976 874595007 /nfs/dbraw/zinc/59/50/07/874595007.db2.gz WISCXICEOMWDDR-CYBMUJFWSA-N 1 2 383.320 3.904 20 30 GHEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cc(F)c(C(F)(F)F)cc3F)C2)nc1 ZINC000428815976 874595016 /nfs/dbraw/zinc/59/50/16/874595016.db2.gz WISCXICEOMWDDR-CYBMUJFWSA-N 1 2 383.320 3.904 20 30 GHEDLO N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3Cc4c[nH+]cn4C3)cc2Cl)cc1 ZINC001198757948 874617237 /nfs/dbraw/zinc/61/72/37/874617237.db2.gz BYJXZEGTUBSZOI-OAHLLOKOSA-N 1 2 393.834 3.947 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC#N)cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542092315 874933069 /nfs/dbraw/zinc/93/30/69/874933069.db2.gz CNQAPYFSDPKIKN-AZUAARDMSA-N 1 2 387.405 3.735 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)c2ccc(CC#N)cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542092315 874933078 /nfs/dbraw/zinc/93/30/78/874933078.db2.gz CNQAPYFSDPKIKN-AZUAARDMSA-N 1 2 387.405 3.735 20 30 GHEDLO C=CCn1c(=S)n(C[N@@H+]2CCC[C@@H]2c2ccccc2)nc1-c1cnccn1 ZINC000151660764 875746342 /nfs/dbraw/zinc/74/63/42/875746342.db2.gz OBPXUSHJHKIAAD-GOSISDBHSA-N 1 2 378.505 3.852 20 30 GHEDLO C=CCn1c(=S)n(C[N@H+]2CCC[C@@H]2c2ccccc2)nc1-c1cnccn1 ZINC000151660764 875746351 /nfs/dbraw/zinc/74/63/51/875746351.db2.gz OBPXUSHJHKIAAD-GOSISDBHSA-N 1 2 378.505 3.852 20 30 GHEDLO CCC[C@@H]([NH2+]Cc1cc(C#N)ccc1Br)c1nnc2ccccn21 ZINC000491603622 875837315 /nfs/dbraw/zinc/83/73/15/875837315.db2.gz FIFLYIPLAXLKRQ-MRXNPFEDSA-N 1 2 384.281 3.994 20 30 GHEDLO CCCCCCCCCCS(=O)(=O)Nc1c[nH+]ccc1N1CCOCC1 ZINC001201834823 875896288 /nfs/dbraw/zinc/89/62/88/875896288.db2.gz XBRXHGIPCHDAEA-UHFFFAOYSA-N 1 2 383.558 3.801 20 30 GHEDLO CS(=O)(=O)c1cccc(N[NH+]=Cc2c(Cl)cccc2N2CCCC2)c1 ZINC000776261988 876083643 /nfs/dbraw/zinc/08/36/43/876083643.db2.gz VEEYAPBZEJUESY-UHFFFAOYSA-N 1 2 377.897 3.790 20 30 GHEDLO CC[C@H](Nc1nc(Cl)c(C#N)s1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000804553404 883017548 /nfs/dbraw/zinc/01/75/48/883017548.db2.gz RPUMEAPDMVFGPR-LSDHHAIUSA-N 1 2 376.913 3.760 20 30 GHEDLO CC[C@H](Nc1nc(Cl)c(C#N)s1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000804553404 883017563 /nfs/dbraw/zinc/01/75/63/883017563.db2.gz RPUMEAPDMVFGPR-LSDHHAIUSA-N 1 2 376.913 3.760 20 30 GHEDLO Cc1ccc(NC(=O)CO[NH+]=C(N)c2ccc(OCc3ccccc3)cc2)cc1 ZINC000109438740 877083682 /nfs/dbraw/zinc/08/36/82/877083682.db2.gz LEURSGSPSFYPBZ-UHFFFAOYSA-N 1 2 389.455 3.850 20 30 GHEDLO C=CCC1(C(=O)Nc2cccc(C[NH+]3CCN(C(C)=O)CC3)c2)CCCCC1 ZINC000450973046 877150581 /nfs/dbraw/zinc/15/05/81/877150581.db2.gz SBTLUYSCNOABCN-UHFFFAOYSA-N 1 2 383.536 3.816 20 30 GHEDLO Cc1noc(C)c1C[NH+](CCOc1ccc(C#N)cc1)Cc1c(C)noc1C ZINC000609916018 877181796 /nfs/dbraw/zinc/18/17/96/877181796.db2.gz YZJLZGYNCBUMSU-UHFFFAOYSA-N 1 2 380.448 3.849 20 30 GHEDLO Cc1cccc(O[C@@H](C)C(=O)N2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000609916120 877182872 /nfs/dbraw/zinc/18/28/72/877182872.db2.gz HITLQVXLPFDNIW-OALUTQOASA-N 1 2 377.488 3.539 20 30 GHEDLO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CC[C@@](F)(C#N)C2)n1 ZINC000615531005 877821644 /nfs/dbraw/zinc/82/16/44/877821644.db2.gz MHWWJIKUIJDKGT-HXUWFJFHSA-N 1 2 381.480 3.862 20 30 GHEDLO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852324812 878240520 /nfs/dbraw/zinc/24/05/20/878240520.db2.gz CALUWCUQTLDFLX-NRFANRHFSA-N 1 2 398.894 3.630 20 30 GHEDLO COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852324812 878240529 /nfs/dbraw/zinc/24/05/29/878240529.db2.gz CALUWCUQTLDFLX-NRFANRHFSA-N 1 2 398.894 3.630 20 30 GHEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000616132557 878562746 /nfs/dbraw/zinc/56/27/46/878562746.db2.gz OZMIABUEXPKTKO-MOPGFXCFSA-N 1 2 394.494 3.672 20 30 GHEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000616132557 878562767 /nfs/dbraw/zinc/56/27/67/878562767.db2.gz OZMIABUEXPKTKO-MOPGFXCFSA-N 1 2 394.494 3.672 20 30 GHEDLO CCOC(=O)C[N@H+](CCC(=O)Nc1sccc1C#N)[C@H](C)c1ccccc1 ZINC000180167341 878594684 /nfs/dbraw/zinc/59/46/84/878594684.db2.gz QIILTIWHFDWUIZ-OAHLLOKOSA-N 1 2 385.489 3.575 20 30 GHEDLO CCOC(=O)C[N@@H+](CCC(=O)Nc1sccc1C#N)[C@H](C)c1ccccc1 ZINC000180167341 878594696 /nfs/dbraw/zinc/59/46/96/878594696.db2.gz QIILTIWHFDWUIZ-OAHLLOKOSA-N 1 2 385.489 3.575 20 30 GHEDLO CC1(C)C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@H]1c1cccnc1 ZINC000854041753 879470269 /nfs/dbraw/zinc/47/02/69/879470269.db2.gz QBJJWQQUCYHIKB-UWJYYQICSA-N 1 2 383.455 3.702 20 30 GHEDLO CC1(C)C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@H]1c1cccnc1 ZINC000854041753 879470277 /nfs/dbraw/zinc/47/02/77/879470277.db2.gz QBJJWQQUCYHIKB-UWJYYQICSA-N 1 2 383.455 3.702 20 30 GHEDLO CC[C@H](C)N1CC[C@@]2(CCC[N@@H+]2Cc2cc(C#N)ccc2Br)C1=O ZINC001275192475 912574596 /nfs/dbraw/zinc/57/45/96/912574596.db2.gz QGCBDMKCWZFSGZ-LIRRHRJNSA-N 1 2 390.325 3.686 20 30 GHEDLO CC[C@H](C)N1CC[C@@]2(CCC[N@H+]2Cc2cc(C#N)ccc2Br)C1=O ZINC001275192475 912574601 /nfs/dbraw/zinc/57/46/01/912574601.db2.gz QGCBDMKCWZFSGZ-LIRRHRJNSA-N 1 2 390.325 3.686 20 30 GHEDLO N#Cc1ccc(N2CC[NH+]([C@@H](CO)c3ccc(Cl)cc3)CC2)cc1Cl ZINC000609564162 883346357 /nfs/dbraw/zinc/34/63/57/883346357.db2.gz OADIYRLYCLBZNJ-IBGZPJMESA-N 1 2 376.287 3.721 20 30 GHEDLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(F)c(C#N)c1 ZINC000551261542 883569834 /nfs/dbraw/zinc/56/98/34/883569834.db2.gz LCGQBWSDTBTWRB-OPAMFIHVSA-N 1 2 394.494 3.774 20 30 GHEDLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(F)c(C#N)c1 ZINC000551261542 883569859 /nfs/dbraw/zinc/56/98/59/883569859.db2.gz LCGQBWSDTBTWRB-OPAMFIHVSA-N 1 2 394.494 3.774 20 30 GHEDLO C[C@H](c1cccc(NC(=O)C(C)(C)c2ccc(C#N)cc2)c1)[NH+]1CCOCC1 ZINC000859212094 883664620 /nfs/dbraw/zinc/66/46/20/883664620.db2.gz DVBOLKDAJPQQJO-QGZVFWFLSA-N 1 2 377.488 3.868 20 30 GHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(Cc2cccc(OC)c2)CC1 ZINC000612123115 884240031 /nfs/dbraw/zinc/24/00/31/884240031.db2.gz KFKOPRHYECPMJH-QFIPXVFZSA-N 1 2 378.472 3.736 20 30 GHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000476207371 884249427 /nfs/dbraw/zinc/24/94/27/884249427.db2.gz SKZHJNOLDDFWJF-UZLBHIALSA-N 1 2 394.425 3.921 20 30 GHEDLO CC1(C)OCCC12CCN(C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N)CC2 ZINC001183834854 912839588 /nfs/dbraw/zinc/83/95/88/912839588.db2.gz IQHVZGSWIJSBPZ-OAQYLSRUSA-N 1 2 395.547 3.720 20 30 GHEDLO CC1(C)OCCC12CCN(C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C#N)CC2 ZINC001183834854 912839592 /nfs/dbraw/zinc/83/95/92/912839592.db2.gz IQHVZGSWIJSBPZ-OAQYLSRUSA-N 1 2 395.547 3.720 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)NCCCOc1cccc(F)c1 ZINC001183840990 912844642 /nfs/dbraw/zinc/84/46/42/912844642.db2.gz KUSCDUJKQIWXLB-JOCHJYFZSA-N 1 2 395.478 3.637 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)NCCCOc1cccc(F)c1 ZINC001183840990 912844662 /nfs/dbraw/zinc/84/46/62/912844662.db2.gz KUSCDUJKQIWXLB-JOCHJYFZSA-N 1 2 395.478 3.637 20 30 GHEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000537528205 885009767 /nfs/dbraw/zinc/00/97/67/885009767.db2.gz QLQVMSGJKIYFDP-LQZXRHCMSA-N 1 2 381.442 3.855 20 30 GHEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000537528205 885009781 /nfs/dbraw/zinc/00/97/81/885009781.db2.gz QLQVMSGJKIYFDP-LQZXRHCMSA-N 1 2 381.442 3.855 20 30 GHEDLO CN(c1ccccc1)c1ccc(CN(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000610931063 885508651 /nfs/dbraw/zinc/50/86/51/885508651.db2.gz WMOUDTXKPBNRQB-UHFFFAOYSA-N 1 2 378.520 3.502 20 30 GHEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000807949509 885889095 /nfs/dbraw/zinc/88/90/95/885889095.db2.gz ZQTIEQPZHMDPJN-QAPCUYQASA-N 1 2 392.503 3.770 20 30 GHEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000807949509 885889109 /nfs/dbraw/zinc/88/91/09/885889109.db2.gz ZQTIEQPZHMDPJN-QAPCUYQASA-N 1 2 392.503 3.770 20 30 GHEDLO CC(C)(C)[C@@H]1CC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1O ZINC000495475343 885898725 /nfs/dbraw/zinc/89/87/25/885898725.db2.gz JTCHZOZXWHEEAI-SJORKVTESA-N 1 2 389.565 3.556 20 30 GHEDLO CC(C)(C)[C@@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1O ZINC000495475343 885898736 /nfs/dbraw/zinc/89/87/36/885898736.db2.gz JTCHZOZXWHEEAI-SJORKVTESA-N 1 2 389.565 3.556 20 30 GHEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000532570690 886137109 /nfs/dbraw/zinc/13/71/09/886137109.db2.gz BXBRMBTWHICOST-YJBOKZPZSA-N 1 2 379.435 3.619 20 30 GHEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000532570690 886137121 /nfs/dbraw/zinc/13/71/21/886137121.db2.gz BXBRMBTWHICOST-YJBOKZPZSA-N 1 2 379.435 3.619 20 30 GHEDLO COc1cc(C[N@H+](C)Cc2cccc(C#N)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000026328519 887544662 /nfs/dbraw/zinc/54/46/62/887544662.db2.gz PHSCHLXINRDUEY-UHFFFAOYSA-N 1 2 377.347 3.708 20 30 GHEDLO COc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)c([N+](=O)[O-])cc1OC(F)F ZINC000026328519 887544671 /nfs/dbraw/zinc/54/46/71/887544671.db2.gz PHSCHLXINRDUEY-UHFFFAOYSA-N 1 2 377.347 3.708 20 30 GHEDLO C#C[C@H]([NH2+]Cc1ccc(O[C@@H](C)C(=O)OC)cc1)c1ccc(Cl)cc1F ZINC000809699277 887680039 /nfs/dbraw/zinc/68/00/39/887680039.db2.gz NEGPMDGWHWZNKY-DJJJIMSYSA-N 1 2 375.827 3.884 20 30 GHEDLO N#Cc1ccc(C[NH2+]Cc2nc3ccccn3c2Br)cc1Cl ZINC000809663925 887688240 /nfs/dbraw/zinc/68/82/40/887688240.db2.gz YQFFQBPUFYKKPY-UHFFFAOYSA-N 1 2 375.657 3.912 20 30 GHEDLO Cc1c(C(=O)/C=C/c2ncc(C[NH+](C)C)s2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000794708623 887926097 /nfs/dbraw/zinc/92/60/97/887926097.db2.gz SUNAVNMMJIRNJA-AATRIKPKSA-N 1 2 390.421 3.534 20 30 GHEDLO C[C@H](c1nc2ccccc2s1)N1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000763233774 888377013 /nfs/dbraw/zinc/37/70/13/888377013.db2.gz NYJRXXYUIAPXQI-UZLBHIALSA-N 1 2 392.528 3.580 20 30 GHEDLO C[N@H+](CC(F)F)C1CCN(C(=O)c2c(F)cc(C(F)(F)F)cc2F)CC1 ZINC000810450678 888528715 /nfs/dbraw/zinc/52/87/15/888528715.db2.gz RSQKOCWBDBYBEJ-UHFFFAOYSA-N 1 2 386.311 3.785 20 30 GHEDLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2c(F)cc(C(F)(F)F)cc2F)CC1 ZINC000810450678 888528725 /nfs/dbraw/zinc/52/87/25/888528725.db2.gz RSQKOCWBDBYBEJ-UHFFFAOYSA-N 1 2 386.311 3.785 20 30 GHEDLO N#CCOc1ccc(C[N@H+]2CCCC[C@@H]2c2nnc(CC(F)(F)F)o2)cc1 ZINC000287363986 913289854 /nfs/dbraw/zinc/28/98/54/913289854.db2.gz MBBRJNDSSKLGEQ-OAHLLOKOSA-N 1 2 380.370 3.804 20 30 GHEDLO N#CCOc1ccc(C[N@@H+]2CCCC[C@@H]2c2nnc(CC(F)(F)F)o2)cc1 ZINC000287363986 913289869 /nfs/dbraw/zinc/28/98/69/913289869.db2.gz MBBRJNDSSKLGEQ-OAHLLOKOSA-N 1 2 380.370 3.804 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCc2ccc(C#N)c(F)c2)C[C@H](C)O1 ZINC000454497736 889138977 /nfs/dbraw/zinc/13/89/77/889138977.db2.gz CYOGIQCVOUGNNB-IYBDPMFKSA-N 1 2 396.466 3.628 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCc2ccc(C#N)c(F)c2)C[C@H](C)O1 ZINC000454497736 889138985 /nfs/dbraw/zinc/13/89/85/889138985.db2.gz CYOGIQCVOUGNNB-IYBDPMFKSA-N 1 2 396.466 3.628 20 30 GHEDLO CC(C)[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccccc1F ZINC000532928965 889304638 /nfs/dbraw/zinc/30/46/38/889304638.db2.gz JOGLGXZIDAXRCH-UHFFFAOYSA-N 1 2 391.450 3.732 20 30 GHEDLO CC(C)[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccccc1F ZINC000532928965 889304648 /nfs/dbraw/zinc/30/46/48/889304648.db2.gz JOGLGXZIDAXRCH-UHFFFAOYSA-N 1 2 391.450 3.732 20 30 GHEDLO CC(C)c1ccc(OC2CC[NH+]([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000532918924 889327134 /nfs/dbraw/zinc/32/71/34/889327134.db2.gz DIDGXZLERFJRMW-QFIPXVFZSA-N 1 2 377.488 3.751 20 30 GHEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]O[C@H](C)c3nc(C(C)(C)C)no3)c2)n1 ZINC000122234741 889527708 /nfs/dbraw/zinc/52/77/08/889527708.db2.gz CWXRXHVJMDYPQQ-OAHLLOKOSA-N 1 2 396.495 3.627 20 30 GHEDLO C#C[C@@H]([NH2+]C1CC(C(=O)OC(C)C)(C(=O)OC(C)C)C1)c1ccc(Cl)cc1 ZINC000811516091 889669604 /nfs/dbraw/zinc/66/96/04/889669604.db2.gz DYZIYHMEUKWESD-GOSISDBHSA-N 1 2 391.895 3.656 20 30 GHEDLO C=CC[NH+](CC=C)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccco1 ZINC000533239341 890050734 /nfs/dbraw/zinc/05/07/34/890050734.db2.gz WMZWQHGZZMZNTI-FQEVSTJZSA-N 1 2 379.460 3.640 20 30 GHEDLO N#CCn1c(=O)c2ccccc2nc1C[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC000917138711 891440130 /nfs/dbraw/zinc/44/01/30/891440130.db2.gz RORYRXROGNLFCF-UHFFFAOYSA-N 1 2 390.462 3.514 20 30 GHEDLO CC(C)n1cnnc1[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000287893585 913581115 /nfs/dbraw/zinc/58/11/15/913581115.db2.gz UKEYETZGGNZNTG-OAHLLOKOSA-N 1 2 388.313 3.873 20 30 GHEDLO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000287893585 913581122 /nfs/dbraw/zinc/58/11/22/913581122.db2.gz UKEYETZGGNZNTG-OAHLLOKOSA-N 1 2 388.313 3.873 20 30 GHEDLO C#CC[C@@H]([NH2+]Cc1nc2sc(C(=O)OCC)c(C)c2c(N)n1)c1ccccc1 ZINC000271725198 892868435 /nfs/dbraw/zinc/86/84/35/892868435.db2.gz RAGNWYVTDPJVDR-OAHLLOKOSA-N 1 2 394.500 3.613 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](Cc2nc(C)no2)C1 ZINC000933580839 893087369 /nfs/dbraw/zinc/08/73/69/893087369.db2.gz OCFUQXBQWBAFIL-INIZCTEOSA-N 1 2 386.521 3.549 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](Cc2nc(C)no2)C1 ZINC000933580839 893087389 /nfs/dbraw/zinc/08/73/89/893087389.db2.gz OCFUQXBQWBAFIL-INIZCTEOSA-N 1 2 386.521 3.549 20 30 GHEDLO O=C(C[NH+]1CCC2(CC1)CC(=O)C=CO2)Nc1cccc(Oc2ccccc2)c1 ZINC000933649913 893115392 /nfs/dbraw/zinc/11/53/92/893115392.db2.gz JIEWMNLQOKGHKZ-UHFFFAOYSA-N 1 2 392.455 3.755 20 30 GHEDLO CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)[N@H+](C)Cc2cc(C#N)cs2)c1 ZINC000933776425 893211081 /nfs/dbraw/zinc/21/10/81/893211081.db2.gz XZVXLBVECDUNTF-HNNXBMFYSA-N 1 2 398.532 3.561 20 30 GHEDLO CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cc(C#N)cs2)c1 ZINC000933776425 893211089 /nfs/dbraw/zinc/21/10/89/893211089.db2.gz XZVXLBVECDUNTF-HNNXBMFYSA-N 1 2 398.532 3.561 20 30 GHEDLO CCOc1ccc(Cl)c(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000455784662 893270854 /nfs/dbraw/zinc/27/08/54/893270854.db2.gz WSZISGZRYDAPIE-UHFFFAOYSA-N 1 2 398.894 3.960 20 30 GHEDLO C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2cc(C#N)cnc2Cl)CC1 ZINC000876683558 893288231 /nfs/dbraw/zinc/28/82/31/893288231.db2.gz VHUKXAWHERWPJM-ZDUSSCGKSA-N 1 2 378.904 3.732 20 30 GHEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459628665 893927266 /nfs/dbraw/zinc/92/72/66/893927266.db2.gz GCYLQCDGEMMSIH-INIZCTEOSA-N 1 2 383.370 3.647 20 30 GHEDLO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459628665 893927275 /nfs/dbraw/zinc/92/72/75/893927275.db2.gz GCYLQCDGEMMSIH-INIZCTEOSA-N 1 2 383.370 3.647 20 30 GHEDLO N#Cc1cc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1OC(F)(F)F ZINC000563857811 894267519 /nfs/dbraw/zinc/26/75/19/894267519.db2.gz KOHOYTUDNBEUFG-OAHLLOKOSA-N 1 2 392.337 3.537 20 30 GHEDLO C[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc(NC(=O)C2CC2)cc1 ZINC000537051897 894268506 /nfs/dbraw/zinc/26/85/06/894268506.db2.gz LIVCTCOKRSFVFN-CQSZACIVSA-N 1 2 387.443 3.808 20 30 GHEDLO Cc1cccc([C@H](C)NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000564048979 894518099 /nfs/dbraw/zinc/51/80/99/894518099.db2.gz DJQWAHMRIUSQFS-IBGZPJMESA-N 1 2 376.504 3.764 20 30 GHEDLO CC[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1cccc(OC)c1OC ZINC000879464984 895074857 /nfs/dbraw/zinc/07/48/57/895074857.db2.gz YSNLOEQZENJZHF-KRWDZBQOSA-N 1 2 378.432 3.866 20 30 GHEDLO C=CCC[C@@H](NC(=O)C(=O)N(C)CCCc1[nH+]ccn1CCC)c1ccccc1 ZINC000289347411 914152892 /nfs/dbraw/zinc/15/28/92/914152892.db2.gz LAQUQBLBGNRJPN-HXUWFJFHSA-N 1 2 396.535 3.508 20 30 GHEDLO O[C@@H](C[NH2+][C@H](c1cccnc1)c1ccc(F)cc1F)C(F)(F)C(F)(F)F ZINC000883361128 897534099 /nfs/dbraw/zinc/53/40/99/897534099.db2.gz UWNJYRABLLYBEF-UONOGXRCSA-N 1 2 382.279 3.597 20 30 GHEDLO CC(C)c1nnc(CO[NH+]=C(N)c2ccc(COc3ccccc3F)cc2)o1 ZINC000132107542 897669556 /nfs/dbraw/zinc/66/95/56/897669556.db2.gz DMBQWRFVPIXDKM-UHFFFAOYSA-N 1 2 384.411 3.748 20 30 GHEDLO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000805760613 897765524 /nfs/dbraw/zinc/76/55/24/897765524.db2.gz HPEXGCKVJXFYSN-QGZVFWFLSA-N 1 2 379.888 3.685 20 30 GHEDLO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000805760613 897765530 /nfs/dbraw/zinc/76/55/30/897765530.db2.gz HPEXGCKVJXFYSN-QGZVFWFLSA-N 1 2 379.888 3.685 20 30 GHEDLO Cc1nc(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)sc1SCC#N ZINC000568643692 898003404 /nfs/dbraw/zinc/00/34/04/898003404.db2.gz UJGHGGYJVKHFLX-CYBMUJFWSA-N 1 2 380.926 3.962 20 30 GHEDLO N#Cc1ccc(C[NH2+]Cc2cc(Br)sc2Br)nc1 ZINC001202656415 898905730 /nfs/dbraw/zinc/90/57/30/898905730.db2.gz VFMUTPSVYMRJJJ-UHFFFAOYSA-N 1 2 387.100 3.830 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000570635285 899457967 /nfs/dbraw/zinc/45/79/67/899457967.db2.gz AUHHOPNEJYXWJN-IBGZPJMESA-N 1 2 393.447 3.643 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000570635285 899457976 /nfs/dbraw/zinc/45/79/76/899457976.db2.gz AUHHOPNEJYXWJN-IBGZPJMESA-N 1 2 393.447 3.643 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000119939553 899707374 /nfs/dbraw/zinc/70/73/74/899707374.db2.gz GXLXBBUZSZNDPU-JKSUJKDBSA-N 1 2 381.505 3.876 20 30 GHEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc(Oc3ccc(OC)cc3)cc2)CC1 ZINC000824871618 899878413 /nfs/dbraw/zinc/87/84/13/899878413.db2.gz IKQTVUFFMGSRDP-UHFFFAOYSA-N 1 2 380.444 3.766 20 30 GHEDLO NC(=O)c1ccc(OC(F)(F)F)c(NC(=[NH2+])c2ccc3cc(O)ccc3c2)c1 ZINC001171186117 902218201 /nfs/dbraw/zinc/21/82/01/902218201.db2.gz OATQKLCWSGYZLR-UHFFFAOYSA-N 1 2 389.333 3.580 20 30 GHEDLO COc1ncc(C[NH+]2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)cc1F ZINC001144466255 902237219 /nfs/dbraw/zinc/23/72/19/902237219.db2.gz MEGUIKPAISVSHV-UHFFFAOYSA-N 1 2 375.831 3.798 20 30 GHEDLO C#Cc1ccc(C[N@@H+]2CCO[C@H](c3ncn4c3cccc4Br)C2)cc1 ZINC001144568411 902399789 /nfs/dbraw/zinc/39/97/89/902399789.db2.gz UQGMMVWDDGGBJF-SFHVURJKSA-N 1 2 396.288 3.652 20 30 GHEDLO C#Cc1ccc(C[N@H+]2CCO[C@H](c3ncn4c3cccc4Br)C2)cc1 ZINC001144568411 902399800 /nfs/dbraw/zinc/39/98/00/902399800.db2.gz UQGMMVWDDGGBJF-SFHVURJKSA-N 1 2 396.288 3.652 20 30 GHEDLO C#Cc1ccc(CN2CCO[C@H](c3[nH+]cn4c3cccc4Br)C2)cc1 ZINC001144568411 902399807 /nfs/dbraw/zinc/39/98/07/902399807.db2.gz UQGMMVWDDGGBJF-SFHVURJKSA-N 1 2 396.288 3.652 20 30 GHEDLO CC(C)N1C(=O)C[C@H]([NH2+]Cc2nc(C#N)cs2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000577105910 902505994 /nfs/dbraw/zinc/50/59/94/902505994.db2.gz FVVVWLNTNWIPHF-MAUKXSAKSA-N 1 2 392.887 3.647 20 30 GHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)[C@@H](C)c2cccnc2)c1C#N ZINC000127717374 902539271 /nfs/dbraw/zinc/53/92/71/902539271.db2.gz YQHJWXIDKGTEHW-KRWDZBQOSA-N 1 2 391.475 3.644 20 30 GHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)[C@@H](C)c2cccnc2)c1C#N ZINC000127717374 902539282 /nfs/dbraw/zinc/53/92/82/902539282.db2.gz YQHJWXIDKGTEHW-KRWDZBQOSA-N 1 2 391.475 3.644 20 30 GHEDLO N#CCc1ccc(CS(=O)(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)cc1 ZINC000577849815 903268187 /nfs/dbraw/zinc/26/81/87/903268187.db2.gz HDXPYJFAMQAEOI-UHFFFAOYSA-N 1 2 380.473 3.838 20 30 GHEDLO N#Cc1ccc(C(F)(F)F)nc1NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000601240094 903495567 /nfs/dbraw/zinc/49/55/67/903495567.db2.gz GIDPBOPQFXXXGL-UHFFFAOYSA-N 1 2 379.411 3.532 20 30 GHEDLO N#Cc1ccccc1OCc1cccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000265299896 903786789 /nfs/dbraw/zinc/78/67/89/903786789.db2.gz PIAMBRUZQOMATK-FQEVSTJZSA-N 1 2 386.455 3.880 20 30 GHEDLO N#Cc1csc(C[N@H+]2CCC[C@H](Nc3cccc(Br)c3)C2)n1 ZINC000579047802 904312646 /nfs/dbraw/zinc/31/26/46/904312646.db2.gz IUXDJCXYTQTAGV-AWEZNQCLSA-N 1 2 377.311 3.854 20 30 GHEDLO N#Cc1csc(C[N@@H+]2CCC[C@H](Nc3cccc(Br)c3)C2)n1 ZINC000579047802 904312661 /nfs/dbraw/zinc/31/26/61/904312661.db2.gz IUXDJCXYTQTAGV-AWEZNQCLSA-N 1 2 377.311 3.854 20 30 GHEDLO C=CCOc1ccccc1[C@H](C)Nc1ccc(OCC[NH+]2CCOCC2)nc1 ZINC001171375947 904403282 /nfs/dbraw/zinc/40/32/82/904403282.db2.gz JEUMPGYJYKTQBG-SFHVURJKSA-N 1 2 383.492 3.531 20 30 GHEDLO C[N@@H+](Cc1ccc(C#N)cc1)CN1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000773288851 904686784 /nfs/dbraw/zinc/68/67/84/904686784.db2.gz BBAWVMMMEIDICA-UHFFFAOYSA-N 1 2 388.393 3.909 20 30 GHEDLO C[N@H+](Cc1ccc(C#N)cc1)CN1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000773288851 904686790 /nfs/dbraw/zinc/68/67/90/904686790.db2.gz BBAWVMMMEIDICA-UHFFFAOYSA-N 1 2 388.393 3.909 20 30 GHEDLO C#CCOc1ccccc1NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000188057246 904866119 /nfs/dbraw/zinc/86/61/19/904866119.db2.gz ASZDLNUTAIFICR-IRLDBZIGSA-N 1 2 386.455 3.945 20 30 GHEDLO COC(=O)[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171969297 905160632 /nfs/dbraw/zinc/16/06/32/905160632.db2.gz IRJGKQDNRAZJIW-AUUYWEPGSA-N 1 2 390.405 3.882 20 30 GHEDLO C=CCOC(=O)[C@@H](Cc1ccc(OC(C)(C)C)cc1)[NH2+][C@H](C)CCOCC ZINC001172420651 905537153 /nfs/dbraw/zinc/53/71/53/905537153.db2.gz LZFQJJRIOTVNLG-YLJYHZDGSA-N 1 2 377.525 3.909 20 30 GHEDLO COc1cccc([C@H]([NH2+]Cc2cc(C#N)n(C)c2)c2cc(F)ccc2OC)c1 ZINC000191265483 906819699 /nfs/dbraw/zinc/81/96/99/906819699.db2.gz ZGKJMHNSKSLSDM-QFIPXVFZSA-N 1 2 379.435 3.932 20 30 GHEDLO C[C@@H](c1ccc(Br)cc1)N1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000191403737 906955269 /nfs/dbraw/zinc/95/52/69/906955269.db2.gz WHIXMCNVIIMDHQ-HNNXBMFYSA-N 1 2 387.325 3.538 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[NH+](Cc2ccc(Nc3cnccc3C#N)cc2)CC1 ZINC001176040989 907899224 /nfs/dbraw/zinc/89/92/24/907899224.db2.gz ZJFRWBHQCXNNHP-UHFFFAOYSA-N 1 2 393.491 3.750 20 30 GHEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CC=C(c4ccc(Cl)nc4)CC3)C2=O)cc1 ZINC000773665205 908560830 /nfs/dbraw/zinc/56/08/30/908560830.db2.gz VWBVDHYMTKPVHZ-IBGZPJMESA-N 1 2 378.863 3.501 20 30 GHEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CC=C(c4ccc(Cl)nc4)CC3)C2=O)cc1 ZINC000773665205 908560838 /nfs/dbraw/zinc/56/08/38/908560838.db2.gz VWBVDHYMTKPVHZ-IBGZPJMESA-N 1 2 378.863 3.501 20 30 GHEDLO CC(=NNc1cc[nH+]cc1)c1cc(Br)cc(Br)c1O ZINC000779809663 908815565 /nfs/dbraw/zinc/81/55/65/908815565.db2.gz RQQJMBZFANXIES-UHFFFAOYSA-N 1 2 385.059 3.570 20 30 GHEDLO O=C(NCC#Cc1cccc(C(F)(F)F)c1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000194824451 908930710 /nfs/dbraw/zinc/93/07/10/908930710.db2.gz HEKBORCAGLIXAS-UHFFFAOYSA-N 1 2 398.388 3.742 20 30 GHEDLO N#Cc1ccc(C[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C2CC2)cc1 ZINC000194968197 908945785 /nfs/dbraw/zinc/94/57/85/908945785.db2.gz XQUUMZKRIQXBHD-UHFFFAOYSA-N 1 2 384.823 3.723 20 30 GHEDLO N#Cc1ccc(C[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C2CC2)cc1 ZINC000194968197 908945796 /nfs/dbraw/zinc/94/57/96/908945796.db2.gz XQUUMZKRIQXBHD-UHFFFAOYSA-N 1 2 384.823 3.723 20 30 GHEDLO C#CCCOc1ccc(CNC2(c3noc(C[NH+](CC)CC)n3)CCCC2)cc1 ZINC000266149638 909020677 /nfs/dbraw/zinc/02/06/77/909020677.db2.gz JYFOHCYYEITESW-UHFFFAOYSA-N 1 2 396.535 3.873 20 30 GHEDLO N#Cc1cc(Cl)ccc1COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000780034989 909306642 /nfs/dbraw/zinc/30/66/42/909306642.db2.gz NKYLFBUUEVJIJC-HXUWFJFHSA-N 1 2 384.863 3.546 20 30 GHEDLO N#Cc1cc(Cl)ccc1COC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000780034989 909306658 /nfs/dbraw/zinc/30/66/58/909306658.db2.gz NKYLFBUUEVJIJC-HXUWFJFHSA-N 1 2 384.863 3.546 20 30 GHEDLO C=CCOc1ccc(C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2ccccc2)cc1OC ZINC000245721502 909857602 /nfs/dbraw/zinc/85/76/02/909857602.db2.gz DJJNBDHXIMWKDA-LEWJYISDSA-N 1 2 383.488 3.585 20 30 GHEDLO C=CCOc1ccc(C[N@H+]2CCOC[C@@H]2C[C@@H](O)c2ccccc2)cc1OC ZINC000245721502 909857621 /nfs/dbraw/zinc/85/76/21/909857621.db2.gz DJJNBDHXIMWKDA-LEWJYISDSA-N 1 2 383.488 3.585 20 30 GHEDLO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(F)c(C#N)c1)c1ccc(Cl)cc1Cl ZINC001181193663 910604245 /nfs/dbraw/zinc/60/42/45/910604245.db2.gz GBKOQIKTRZPSLL-SFHVURJKSA-N 1 2 394.277 3.966 20 30 GHEDLO Cc1cc(C#N)ccc1C(=O)NCCc1cn(Cc2ccc(Cl)cc2)c[nH+]1 ZINC001181359981 910724398 /nfs/dbraw/zinc/72/43/98/910724398.db2.gz KGFRAPIPNKPBRW-UHFFFAOYSA-N 1 2 378.863 3.737 20 30 GHEDLO C#C[C@@H]([NH2+]Cc1ccc(C(=O)OC)c(Br)c1)c1ccc(F)cc1 ZINC001182021244 911155524 /nfs/dbraw/zinc/15/55/24/911155524.db2.gz UQMWUOUXFZJWAE-QGZVFWFLSA-N 1 2 376.225 3.839 20 30 GHEDLO C[C@@H](C#N)OCC[N@H+](CC(=O)Nc1ccccc1F)Cc1ccc(Cl)cc1 ZINC000801930233 921643495 /nfs/dbraw/zinc/64/34/95/921643495.db2.gz JWRSOGOAWAXMFT-HNNXBMFYSA-N 1 2 389.858 3.848 20 30 GHEDLO C[C@@H](C#N)OCC[N@@H+](CC(=O)Nc1ccccc1F)Cc1ccc(Cl)cc1 ZINC000801930233 921643501 /nfs/dbraw/zinc/64/35/01/921643501.db2.gz JWRSOGOAWAXMFT-HNNXBMFYSA-N 1 2 389.858 3.848 20 30 GHEDLO C[C@H](C#N)Oc1ccc(C[NH+]2CCN(C(=O)CCC3CCCCC3)CC2)cc1 ZINC000092162292 911431549 /nfs/dbraw/zinc/43/15/49/911431549.db2.gz CBUVUFCPJAOLRN-LJQANCHMSA-N 1 2 383.536 3.982 20 30 GHEDLO C[C@H](C#N)Oc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)cc1 ZINC000775182198 916061026 /nfs/dbraw/zinc/06/10/26/916061026.db2.gz SFYMSOWWYHEFSR-MRXNPFEDSA-N 1 2 380.879 3.825 20 30 GHEDLO COc1ccc(C#N)c(C(=O)NC[C@H](c2ccc(Cl)cc2Cl)[NH+](C)C)c1 ZINC001189095313 916400087 /nfs/dbraw/zinc/40/00/87/916400087.db2.gz LGVCRFHZQCJKLJ-GOSISDBHSA-N 1 2 392.286 3.906 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(Cc3nc([C@@H]4C[C@@H]4C)no3)CC2)c1C ZINC000649782979 916407998 /nfs/dbraw/zinc/40/79/98/916407998.db2.gz VIJXGRIBPQQXFQ-HNAYVOBHSA-N 1 2 396.535 3.935 20 30 GHEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000363289112 918035850 /nfs/dbraw/zinc/03/58/50/918035850.db2.gz RLUAPAWJUWILDU-MOPGFXCFSA-N 1 2 378.863 3.620 20 30 GHEDLO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000363289112 918035867 /nfs/dbraw/zinc/03/58/67/918035867.db2.gz RLUAPAWJUWILDU-MOPGFXCFSA-N 1 2 378.863 3.620 20 30 GHEDLO CC(C)CN1CC[C@]2(CCC[N@@H+]2Cc2ccc(C#N)cc2Br)C1=O ZINC001275979368 920644225 /nfs/dbraw/zinc/64/42/25/920644225.db2.gz HCTJGTIQFKVNSA-LJQANCHMSA-N 1 2 390.325 3.544 20 30 GHEDLO CC(C)CN1CC[C@]2(CCC[N@H+]2Cc2ccc(C#N)cc2Br)C1=O ZINC001275979368 920644233 /nfs/dbraw/zinc/64/42/33/920644233.db2.gz HCTJGTIQFKVNSA-LJQANCHMSA-N 1 2 390.325 3.544 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@@H]([NH2+]CC1(C#N)CC1)c1ccccc1O2 ZINC000903106075 922777160 /nfs/dbraw/zinc/77/71/60/922777160.db2.gz MINTVXOBCXYVBY-VGOFRKELSA-N 1 2 383.492 3.783 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000368787459 922873751 /nfs/dbraw/zinc/87/37/51/922873751.db2.gz WDGXYYRFXBNAJA-AEFFLSMTSA-N 1 2 387.549 3.768 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000368787459 922873768 /nfs/dbraw/zinc/87/37/68/922873768.db2.gz WDGXYYRFXBNAJA-AEFFLSMTSA-N 1 2 387.549 3.768 20 30 GHEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(O)(c2scnc2Br)CC1 ZINC000369702216 923553834 /nfs/dbraw/zinc/55/38/34/923553834.db2.gz HSWYIWYFGYXUHN-LBPRGKRZSA-N 1 2 392.322 3.822 20 30 GHEDLO COc1cc(Br)ccc1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000370534048 924152389 /nfs/dbraw/zinc/15/23/89/924152389.db2.gz QRLNIZIBPSRPEA-UHFFFAOYSA-N 1 2 386.293 3.910 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@](OC)(C(F)(F)F)C1 ZINC000682039923 925990013 /nfs/dbraw/zinc/99/00/13/925990013.db2.gz JFUBDXYPGGJUFY-WMLDXEAASA-N 1 2 390.471 3.695 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@](OC)(C(F)(F)F)C1 ZINC000682039923 925990021 /nfs/dbraw/zinc/99/00/21/925990021.db2.gz JFUBDXYPGGJUFY-WMLDXEAASA-N 1 2 390.471 3.695 20 30 GHEDLO CCC[N@H+](Cc1ccccc1Br)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000411202679 926202331 /nfs/dbraw/zinc/20/23/31/926202331.db2.gz OVLQNNBAFONHBA-AWEZNQCLSA-N 1 2 378.314 3.612 20 30 GHEDLO CCC[N@@H+](Cc1ccccc1Br)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000411202679 926202336 /nfs/dbraw/zinc/20/23/36/926202336.db2.gz OVLQNNBAFONHBA-AWEZNQCLSA-N 1 2 378.314 3.612 20 30 GHEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000682785927 926246667 /nfs/dbraw/zinc/24/66/67/926246667.db2.gz QTLMZVXLORKRRG-SFHVURJKSA-N 1 2 380.492 3.537 20 30 GHEDLO N#CCCCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c(Cl)cc(O)cc1Cl ZINC001276165356 926419532 /nfs/dbraw/zinc/41/95/32/926419532.db2.gz WESTZIIGPKFXEJ-LJQANCHMSA-N 1 2 396.318 3.960 20 30 GHEDLO N#CCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c(Cl)cc(O)cc1Cl ZINC001276165356 926419537 /nfs/dbraw/zinc/41/95/37/926419537.db2.gz WESTZIIGPKFXEJ-LJQANCHMSA-N 1 2 396.318 3.960 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000373960790 926596205 /nfs/dbraw/zinc/59/62/05/926596205.db2.gz WTTSWTLKHTUNES-SJORKVTESA-N 1 2 395.532 3.546 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000373960790 926596217 /nfs/dbraw/zinc/59/62/17/926596217.db2.gz WTTSWTLKHTUNES-SJORKVTESA-N 1 2 395.532 3.546 20 30 GHEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H](CCC(=O)OC(C)(C)C)C2)c(C#N)c1C ZINC000412060581 927057849 /nfs/dbraw/zinc/05/78/49/927057849.db2.gz GGEOGSLTUDMEDH-INIZCTEOSA-N 1 2 389.496 3.541 20 30 GHEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H](CCC(=O)OC(C)(C)C)C2)c(C#N)c1C ZINC000412060581 927057863 /nfs/dbraw/zinc/05/78/63/927057863.db2.gz GGEOGSLTUDMEDH-INIZCTEOSA-N 1 2 389.496 3.541 20 30 GHEDLO Cc1sc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@H](O)c2ccccc2)c(C#N)c1C ZINC000750043440 927402821 /nfs/dbraw/zinc/40/28/21/927402821.db2.gz CBZMISKPYVLALQ-UYAOXDASSA-N 1 2 383.517 3.763 20 30 GHEDLO Cc1sc(NC(=O)C[N@H+]2CCCC[C@@H]2[C@H](O)c2ccccc2)c(C#N)c1C ZINC000750043440 927402824 /nfs/dbraw/zinc/40/28/24/927402824.db2.gz CBZMISKPYVLALQ-UYAOXDASSA-N 1 2 383.517 3.763 20 30 GHEDLO CON=Cc1ccc(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cc1 ZINC000750448116 927640595 /nfs/dbraw/zinc/64/05/95/927640595.db2.gz YVQHCWQVXLVGRO-NRFANRHFSA-N 1 2 376.460 3.652 20 30 GHEDLO C[C@@H]1CN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC[N@@H+]1Cc1ccccc1 ZINC000412700480 927747380 /nfs/dbraw/zinc/74/73/80/927747380.db2.gz QTWAOKUFWQHPOA-QGZVFWFLSA-N 1 2 386.455 3.560 20 30 GHEDLO C[C@@H]1CN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC[N@H+]1Cc1ccccc1 ZINC000412700480 927747385 /nfs/dbraw/zinc/74/73/85/927747385.db2.gz QTWAOKUFWQHPOA-QGZVFWFLSA-N 1 2 386.455 3.560 20 30 GHEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)c1ncc(C#N)cc1F ZINC000413191849 928307779 /nfs/dbraw/zinc/30/77/79/928307779.db2.gz HTNOZFNOVYKHRM-UHFFFAOYSA-N 1 2 379.439 3.784 20 30 GHEDLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000752332808 928768978 /nfs/dbraw/zinc/76/89/78/928768978.db2.gz QHZUJZVQRGQZDF-HNNXBMFYSA-N 1 2 381.423 3.601 20 30 GHEDLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000752332808 928768989 /nfs/dbraw/zinc/76/89/89/928768989.db2.gz QHZUJZVQRGQZDF-HNNXBMFYSA-N 1 2 381.423 3.601 20 30 GHEDLO CC(C)c1nn(-c2ccccc2)c(Cl)c1C=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1 ZINC000753933244 929598667 /nfs/dbraw/zinc/59/86/67/929598667.db2.gz DMIORGYAYBIXER-CALCHBBNSA-N 1 2 384.915 3.843 20 30 GHEDLO C[C@@H](CCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000545960646 929722471 /nfs/dbraw/zinc/72/24/71/929722471.db2.gz NMNUAZPTGLDGRG-IBGZPJMESA-N 1 2 376.504 3.579 20 30 GHEDLO C=CCOCC[NH2+][C@@H](C)c1cc(Br)cc(Br)c1O ZINC000757636246 929752813 /nfs/dbraw/zinc/75/28/13/929752813.db2.gz ABRNVFHQOUFSSW-VIFPVBQESA-N 1 2 379.092 3.770 20 30 GHEDLO C[N@H+](Cn1cccc(C#N)c1=O)[C@H]1CCSc2ccc(Br)cc21 ZINC000758219602 929978133 /nfs/dbraw/zinc/97/81/33/929978133.db2.gz ILKLRHWFQYRLTG-HNNXBMFYSA-N 1 2 390.306 3.609 20 30 GHEDLO C[N@@H+](Cn1cccc(C#N)c1=O)[C@H]1CCSc2ccc(Br)cc21 ZINC000758219602 929978140 /nfs/dbraw/zinc/97/81/40/929978140.db2.gz ILKLRHWFQYRLTG-HNNXBMFYSA-N 1 2 390.306 3.609 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C(F)(F)c3ccccc3F)CC2)cc1 ZINC000759208977 930309897 /nfs/dbraw/zinc/30/98/97/930309897.db2.gz JMAWCAPFZLPHAJ-UHFFFAOYSA-N 1 2 387.405 3.524 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C(F)(F)c3ccccc3F)CC2)cc1 ZINC000759208977 930309902 /nfs/dbraw/zinc/30/99/02/930309902.db2.gz JMAWCAPFZLPHAJ-UHFFFAOYSA-N 1 2 387.405 3.524 20 30 GHEDLO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000759771899 930483733 /nfs/dbraw/zinc/48/37/33/930483733.db2.gz FAIKZDRQSGFZFM-KRWDZBQOSA-N 1 2 378.948 3.838 20 30 GHEDLO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000759771899 930483738 /nfs/dbraw/zinc/48/37/38/930483738.db2.gz FAIKZDRQSGFZFM-KRWDZBQOSA-N 1 2 378.948 3.838 20 30 GHEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](CCC(=O)c2ccc(F)cc2)CC1 ZINC000471009659 931092378 /nfs/dbraw/zinc/09/23/78/931092378.db2.gz WJIJSIAULITTOI-FQEVSTJZSA-N 1 2 385.870 3.934 20 30 GHEDLO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+]2CCC23CCC3)cc1 ZINC000471026236 931103309 /nfs/dbraw/zinc/10/33/09/931103309.db2.gz VJEXVGKWZMJCQW-UHFFFAOYSA-N 1 2 378.476 3.541 20 30 GHEDLO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+]2CCC23CCC3)cc1 ZINC000471026236 931103313 /nfs/dbraw/zinc/10/33/13/931103313.db2.gz VJEXVGKWZMJCQW-UHFFFAOYSA-N 1 2 378.476 3.541 20 30 GHEDLO CCc1oc2ccccc2c1C[N@H+](C)Cc1nc2ccccc2c(=O)n1CC#N ZINC000782395251 931205518 /nfs/dbraw/zinc/20/55/18/931205518.db2.gz RTOWHPBEOHESJE-UHFFFAOYSA-N 1 2 386.455 3.861 20 30 GHEDLO CCc1oc2ccccc2c1C[N@@H+](C)Cc1nc2ccccc2c(=O)n1CC#N ZINC000782395251 931205521 /nfs/dbraw/zinc/20/55/21/931205521.db2.gz RTOWHPBEOHESJE-UHFFFAOYSA-N 1 2 386.455 3.861 20 30 GHEDLO Cc1cc(Br)cn2c(C=C3CCc4[nH]c(=O)ccc4C3=O)c[nH+]c12 ZINC000783709553 931625185 /nfs/dbraw/zinc/62/51/85/931625185.db2.gz PRFNBDMJKBHUSE-XFFZJAGNSA-N 1 2 384.233 3.718 20 30 GHEDLO S=C1N=NC(CSc2ccccc2)N1N=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000783860889 931695994 /nfs/dbraw/zinc/69/59/94/931695994.db2.gz HLMWHUIPJDCYOJ-UHFFFAOYSA-N 1 2 398.542 3.989 20 30 GHEDLO Cc1sc2nc(C[N@H+](C)CCOCc3ccc(C#N)cc3)[nH]c(=O)c2c1C ZINC000558173637 931872021 /nfs/dbraw/zinc/87/20/21/931872021.db2.gz RLNZLQFKGDCLSK-UHFFFAOYSA-N 1 2 382.489 3.534 20 30 GHEDLO Cc1sc2nc(C[N@@H+](C)CCOCc3ccc(C#N)cc3)[nH]c(=O)c2c1C ZINC000558173637 931872026 /nfs/dbraw/zinc/87/20/26/931872026.db2.gz RLNZLQFKGDCLSK-UHFFFAOYSA-N 1 2 382.489 3.534 20 30 GHEDLO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H]([NH2+]Cc2cccc(-c3cccnc3)c2)C1 ZINC000798275281 932589030 /nfs/dbraw/zinc/58/90/30/932589030.db2.gz PLGXWPAJNBKFSQ-VQTJNVASSA-N 1 2 378.476 3.597 20 30 GHEDLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1C#N ZINC000799301960 932944162 /nfs/dbraw/zinc/94/41/62/932944162.db2.gz WTGWHJUIPNLPSY-UHFFFAOYSA-N 1 2 387.405 3.844 20 30 GHEDLO C#C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1Cc1cccnc1)c1ccc(Cl)cc1F ZINC001117291164 933920900 /nfs/dbraw/zinc/92/09/00/933920900.db2.gz XFJKPJZOEGRPCL-VQTJNVASSA-N 1 2 385.870 3.719 20 30 GHEDLO C#C[C@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1cccnc1)c1ccc(Cl)cc1F ZINC001117291164 933920908 /nfs/dbraw/zinc/92/09/08/933920908.db2.gz XFJKPJZOEGRPCL-VQTJNVASSA-N 1 2 385.870 3.719 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@H](C/C=C/C)C1 ZINC001121584818 934707592 /nfs/dbraw/zinc/70/75/92/934707592.db2.gz YCSZJIGAGLNMFU-JUGMSXHOSA-N 1 2 382.556 3.740 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1Cc2cccc(Cl)c2C1 ZINC001121684388 934738149 /nfs/dbraw/zinc/73/81/49/934738149.db2.gz JXVWCMUFUXZHCJ-UHFFFAOYSA-N 1 2 396.926 3.731 20 30 GHEDLO CC[C@H]1c2ccccc2CN1c1nnc(C2CC[NH+](CCC#N)CC2)n1CC ZINC001121711965 934745096 /nfs/dbraw/zinc/74/50/96/934745096.db2.gz HDAAZXPBIGQOGC-FQEVSTJZSA-N 1 2 378.524 3.862 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 ZINC001122444371 934871568 /nfs/dbraw/zinc/87/15/68/934871568.db2.gz ACHGUVBTIDNIDZ-ZCNNSNEGSA-N 1 2 398.555 3.834 20 30 GHEDLO N#Cc1cccc(N2CC[NH+](Cc3ccc(C#N)cc3Br)CC2)c1 ZINC001137638978 935654294 /nfs/dbraw/zinc/65/42/94/935654294.db2.gz FAYPFXFYIGNDOR-UHFFFAOYSA-N 1 2 381.277 3.515 20 30 GHEDLO C[C@]12C[NH+](Cc3ccccc3)C[C@]1(C)C[NH+]([C@H](C(=O)[O-])c1ccc(C#N)cc1)C2 ZINC001594088968 998028725 /nfs/dbraw/zinc/02/87/25/998028725.db2.gz UNNXUOMDXLXDMK-QPTUXGOLSA-N 1 2 389.499 3.528 20 30 GHEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(Cl)cc3C(=O)Nc3ccccc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227540649 1032457403 /nfs/dbraw/zinc/45/74/03/1032457403.db2.gz JJXPQRIEKCDJFM-MXHDYAKMSA-N 1 2 384.863 3.584 20 30 GHEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc(Cl)cc3C(=O)Nc3ccccc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001227540649 1032457406 /nfs/dbraw/zinc/45/74/06/1032457406.db2.gz JJXPQRIEKCDJFM-MXHDYAKMSA-N 1 2 384.863 3.584 20 30 GHEDLO C=CCOc1ccc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)cc1OC ZINC000560515877 1017649479 /nfs/dbraw/zinc/64/94/79/1017649479.db2.gz MQUFYQWRIKCGLC-IYARVYRRSA-N 1 2 381.476 3.808 20 30 GHEDLO Fc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)ccn1 ZINC000932941508 1018769323 /nfs/dbraw/zinc/76/93/23/1018769323.db2.gz VWAUKQYKNWYQAI-DTORHVGOSA-N 1 2 378.238 3.824 20 30 GHEDLO Fc1cc(C[N@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)ccn1 ZINC000932941508 1018769334 /nfs/dbraw/zinc/76/93/34/1018769334.db2.gz VWAUKQYKNWYQAI-DTORHVGOSA-N 1 2 378.238 3.824 20 30 GHEDLO Fc1cncc(C[NH+]2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c1 ZINC000932945107 1018776516 /nfs/dbraw/zinc/77/65/16/1018776516.db2.gz RKCAVFGXBSLFRK-NXEZZACHSA-N 1 2 378.238 3.824 20 30 GHEDLO C=CCn1ncc2ccc(NC(=O)N3CCC(Nc4cccc[nH+]4)CC3)cc21 ZINC000933086979 1018842342 /nfs/dbraw/zinc/84/23/42/1018842342.db2.gz VCGDXWVKVHBRPA-UHFFFAOYSA-N 1 2 376.464 3.726 20 30 GHEDLO CC(C)(C)OC(=O)N1CCN(c2ccc(NC3=CC[C@H](C#N)CC3)c[nH+]2)CC1 ZINC001212854710 1019468273 /nfs/dbraw/zinc/46/82/73/1019468273.db2.gz KLPXFAZJPNQWFF-INIZCTEOSA-N 1 2 383.496 3.758 20 30 GHEDLO COc1cccc([C@H](C)N2CC[NH+](Cc3cc(C#N)ccc3N(C)C)CC2)c1 ZINC001204441526 1032879707 /nfs/dbraw/zinc/87/97/07/1032879707.db2.gz ODCHJDSYTPUZFI-SFHVURJKSA-N 1 2 378.520 3.512 20 30 GHEDLO CCc1ccccc1O[C@H](C)C(=O)N1CC[NH+](Cc2ccc(C#N)c(C)c2)CC1 ZINC001204488395 1032921786 /nfs/dbraw/zinc/92/17/86/1032921786.db2.gz MXZGINNAINDRDF-LJQANCHMSA-N 1 2 391.515 3.541 20 30 GHEDLO C[C@H](c1ccccc1)N(Cc1ccc(C#N)cc1)c1cc[nH+]c(N2CCOCC2)n1 ZINC001156225426 1032932254 /nfs/dbraw/zinc/93/22/54/1032932254.db2.gz ASQZCKQFTBBSKE-LJQANCHMSA-N 1 2 399.498 3.953 20 30 GHEDLO C=CC[NH+](CC=C)CC(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC000096969252 1021147962 /nfs/dbraw/zinc/14/79/62/1021147962.db2.gz JBNIHTDLIBQPQA-GOSISDBHSA-N 1 2 377.488 3.790 20 30 GHEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1ccc(Br)cc1N)CCO2 ZINC001140224611 1021188916 /nfs/dbraw/zinc/18/89/16/1021188916.db2.gz ZPAVNUCUDCRKAQ-QFBILLFUSA-N 1 2 395.341 3.605 20 30 GHEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1ccc(Br)cc1N)CCO2 ZINC001140224611 1021188922 /nfs/dbraw/zinc/18/89/22/1021188922.db2.gz ZPAVNUCUDCRKAQ-QFBILLFUSA-N 1 2 395.341 3.605 20 30 GHEDLO C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(Cl)nc(C(F)(F)F)c1)CC2 ZINC001277315707 1032998030 /nfs/dbraw/zinc/99/80/30/1032998030.db2.gz MGHZKXZOHVGEGM-CYBMUJFWSA-N 1 2 387.833 3.658 20 30 GHEDLO COC(=O)c1cc(N[NH+]=Cc2sc(N3CCCC3)nc2Cl)ccc1F ZINC000835010776 1021767347 /nfs/dbraw/zinc/76/73/47/1021767347.db2.gz AJPNAHOLLPCQAH-UHFFFAOYSA-N 1 2 382.848 3.768 20 30 GHEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Cl)nc(C(F)(F)F)c1 ZINC001277316501 1033019285 /nfs/dbraw/zinc/01/92/85/1033019285.db2.gz VUEYZFIWAGDUDK-ZIAGYGMSSA-N 1 2 387.833 3.895 20 30 GHEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(Cl)nc(C(F)(F)F)c1 ZINC001277316501 1033019297 /nfs/dbraw/zinc/01/92/97/1033019297.db2.gz VUEYZFIWAGDUDK-ZIAGYGMSSA-N 1 2 387.833 3.895 20 30 GHEDLO CC[C@H](C#N)Oc1cc(CNc2nc(N(C)C)c3ccccc3[nH+]2)ccc1OC ZINC000827623919 1022300989 /nfs/dbraw/zinc/30/09/89/1022300989.db2.gz UHGPOYWRSWUYNJ-MRXNPFEDSA-N 1 2 391.475 3.997 20 30 GHEDLO N#Cc1c(F)cc(C[NH+]2CCC(N3Cc4ccccc4NC3=O)CC2)cc1F ZINC001140754213 1022438899 /nfs/dbraw/zinc/43/88/99/1022438899.db2.gz QUKXMVNQYIBKSK-UHFFFAOYSA-N 1 2 382.414 3.849 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)/C=C\c2ccccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000754903705 1022958823 /nfs/dbraw/zinc/95/88/23/1022958823.db2.gz UYITVFLOIZSBJD-KTMUDYLSSA-N 1 2 383.854 3.926 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)/C=C\c2ccccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000754903705 1022958827 /nfs/dbraw/zinc/95/88/27/1022958827.db2.gz UYITVFLOIZSBJD-KTMUDYLSSA-N 1 2 383.854 3.926 20 30 GHEDLO Cc1cc(C(O)=CONC(=[NH2+])c2ccc(Cl)cc2)c(C)n1CC(F)(F)F ZINC000836842742 1023402603 /nfs/dbraw/zinc/40/26/03/1023402603.db2.gz SXVWUZOEQOEWBJ-UHFFFAOYSA-N 1 2 387.789 3.840 20 30 GHEDLO COc1ccc(C[NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)cc1C#N ZINC000756035513 1023487548 /nfs/dbraw/zinc/48/75/48/1023487548.db2.gz UWPXNIPWQRMQDH-UHFFFAOYSA-N 1 2 388.258 3.744 20 30 GHEDLO C=CCn1c(-c2ccccc2F)nn(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c1=S ZINC000756890586 1023847801 /nfs/dbraw/zinc/84/78/01/1023847801.db2.gz TTZSGWONUFCXMD-QAPCUYQASA-N 1 2 388.512 3.865 20 30 GHEDLO C=CCn1c(-c2ccccc2F)nn(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c1=S ZINC000756890586 1023847806 /nfs/dbraw/zinc/84/78/06/1023847806.db2.gz TTZSGWONUFCXMD-QAPCUYQASA-N 1 2 388.512 3.865 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c1=S ZINC000756892867 1023849066 /nfs/dbraw/zinc/84/90/66/1023849066.db2.gz YRXLZDYPYWCWCU-AEFFLSMTSA-N 1 2 388.512 3.865 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c1=S ZINC000756892867 1023849071 /nfs/dbraw/zinc/84/90/71/1023849071.db2.gz YRXLZDYPYWCWCU-AEFFLSMTSA-N 1 2 388.512 3.865 20 30 GHEDLO C#CC[C@H](NC(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1)c1ccccc1 ZINC000757058571 1023922211 /nfs/dbraw/zinc/92/22/11/1023922211.db2.gz HRGDSLPDPCIYIU-QHCPKHFHSA-N 1 2 391.515 3.677 20 30 GHEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001141164006 1023990649 /nfs/dbraw/zinc/99/06/49/1023990649.db2.gz YPCHWCVZZCHULF-RBBKRZOGSA-N 1 2 381.451 3.542 20 30 GHEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001141164006 1023990651 /nfs/dbraw/zinc/99/06/51/1023990651.db2.gz YPCHWCVZZCHULF-RBBKRZOGSA-N 1 2 381.451 3.542 20 30 GHEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H]2OCCC[C@]2(COc2ncccc2F)C1 ZINC001141164928 1023992859 /nfs/dbraw/zinc/99/28/59/1023992859.db2.gz NJORPSVUKBHMDW-IFMALSPDSA-N 1 2 399.441 3.682 20 30 GHEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@H]2OCCC[C@]2(COc2ncccc2F)C1 ZINC001141164928 1023992863 /nfs/dbraw/zinc/99/28/63/1023992863.db2.gz NJORPSVUKBHMDW-IFMALSPDSA-N 1 2 399.441 3.682 20 30 GHEDLO N#Cc1cccc([C@H](NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)C(F)(F)F)c1 ZINC000831095361 1024352144 /nfs/dbraw/zinc/35/21/44/1024352144.db2.gz CGMTXGXZIYCHII-OCCSQVGLSA-N 1 2 390.287 3.668 20 30 GHEDLO N#Cc1ccnc(N2CC[NH+](Cc3c[nH]c4ccc(Br)cc34)CC2)c1 ZINC001138319712 1024652148 /nfs/dbraw/zinc/65/21/48/1024652148.db2.gz AYILMUCVXVAVLJ-UHFFFAOYSA-N 1 2 396.292 3.519 20 30 GHEDLO C#CCOc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](CC)C2)cc1OC ZINC001138345235 1024706391 /nfs/dbraw/zinc/70/63/91/1024706391.db2.gz AIPGVOHWTAHLKF-SFHVURJKSA-N 1 2 388.508 3.539 20 30 GHEDLO C#CCOc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](CC)C2)cc1OC ZINC001138345235 1024706405 /nfs/dbraw/zinc/70/64/05/1024706405.db2.gz AIPGVOHWTAHLKF-SFHVURJKSA-N 1 2 388.508 3.539 20 30 GHEDLO COC(=O)C1(C#N)CC[NH+](Cc2cccc3c(Br)cccc23)CC1 ZINC000831699607 1024753760 /nfs/dbraw/zinc/75/37/60/1024753760.db2.gz RNMDSDALOIMUSA-UHFFFAOYSA-N 1 2 387.277 3.881 20 30 GHEDLO N#Cc1ccc(-c2nnc(C[NH+]3CCC(Oc4ccc(Cl)cn4)CC3)o2)cc1 ZINC000839202718 1025721796 /nfs/dbraw/zinc/72/17/96/1025721796.db2.gz MUHKDNPGCDDJSJ-UHFFFAOYSA-N 1 2 395.850 3.700 20 30 GHEDLO C=CCOc1ccccc1C[N@H+]1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001139027735 1025793872 /nfs/dbraw/zinc/79/38/72/1025793872.db2.gz ACEKYTBULCEVHM-LJQANCHMSA-N 1 2 390.487 3.554 20 30 GHEDLO C=CCOc1ccccc1C[N@@H+]1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001139027735 1025793888 /nfs/dbraw/zinc/79/38/88/1025793888.db2.gz ACEKYTBULCEVHM-LJQANCHMSA-N 1 2 390.487 3.554 20 30 GHEDLO C=CCOc1ccccc1C[N@H+]1Cc2cncn2C[C@H](COc2ccccn2)C1 ZINC001139032481 1025803749 /nfs/dbraw/zinc/80/37/49/1025803749.db2.gz PDQALTAHDNBGHO-LJQANCHMSA-N 1 2 390.487 3.554 20 30 GHEDLO C=CCOc1ccccc1C[N@@H+]1Cc2cncn2C[C@H](COc2ccccn2)C1 ZINC001139032481 1025803770 /nfs/dbraw/zinc/80/37/70/1025803770.db2.gz PDQALTAHDNBGHO-LJQANCHMSA-N 1 2 390.487 3.554 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(c3cccc(OC(F)(F)F)c3)CC2)cc1F ZINC001139531341 1026389774 /nfs/dbraw/zinc/38/97/74/1026389774.db2.gz XBQXJSHSQCVUNT-UHFFFAOYSA-N 1 2 379.357 3.918 20 30 GHEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3cccc(Br)c3F)CC2)nc1 ZINC001139534096 1026393076 /nfs/dbraw/zinc/39/30/76/1026393076.db2.gz BQLZRTXBHRCYAU-UHFFFAOYSA-N 1 2 389.272 3.567 20 30 GHEDLO N#Cc1ccc(N2CCC[N@H+](Cc3cccc(Br)c3F)CC2)nc1 ZINC001139534096 1026393087 /nfs/dbraw/zinc/39/30/87/1026393087.db2.gz BQLZRTXBHRCYAU-UHFFFAOYSA-N 1 2 389.272 3.567 20 30 GHEDLO N#Cc1c(Cl)cccc1C[N@@H+]1CCC[C@@]2(C[C@H](OCc3cccnc3)CO2)C1 ZINC001139688477 1026539894 /nfs/dbraw/zinc/53/98/94/1026539894.db2.gz MOXARYIAQHZZEM-SIKLNZKXSA-N 1 2 397.906 3.947 20 30 GHEDLO N#Cc1c(Cl)cccc1C[N@H+]1CCC[C@@]2(C[C@H](OCc3cccnc3)CO2)C1 ZINC001139688477 1026539904 /nfs/dbraw/zinc/53/99/04/1026539904.db2.gz MOXARYIAQHZZEM-SIKLNZKXSA-N 1 2 397.906 3.947 20 30 GHEDLO N#Cc1c(Cl)cccc1C[N@H+]1CC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC001139689084 1026541211 /nfs/dbraw/zinc/54/12/11/1026541211.db2.gz IIPSNXLWEVCRBD-YWZLYKJASA-N 1 2 387.842 3.558 20 30 GHEDLO N#Cc1c(Cl)cccc1C[N@@H+]1CC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC001139689084 1026541218 /nfs/dbraw/zinc/54/12/18/1026541218.db2.gz IIPSNXLWEVCRBD-YWZLYKJASA-N 1 2 387.842 3.558 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2ccc(Br)cc2C#N)CCC[C@@]1(O)C(F)(F)F ZINC001141807278 1027335156 /nfs/dbraw/zinc/33/51/56/1027335156.db2.gz BKDUYGCTPCPENW-ABAIWWIYSA-N 1 2 391.231 3.846 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2C#N)CCC[C@@]1(O)C(F)(F)F ZINC001141807278 1027335161 /nfs/dbraw/zinc/33/51/61/1027335161.db2.gz BKDUYGCTPCPENW-ABAIWWIYSA-N 1 2 391.231 3.846 20 30 GHEDLO N#Cc1ccc(Br)cc1C[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC001141903177 1027627218 /nfs/dbraw/zinc/62/72/18/1027627218.db2.gz UMVRLHFDNNTMFV-UHFFFAOYSA-N 1 2 390.325 3.545 20 30 GHEDLO Cc1cccc(N2CCCN(Cc3cc(Br)ccc3C#N)CC2)[nH+]1 ZINC001141905298 1027632638 /nfs/dbraw/zinc/63/26/38/1027632638.db2.gz ZEMRBRQRWBYBBI-UHFFFAOYSA-N 1 2 385.309 3.737 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCc3c(c(COc4ccccn4)nn3CC3CC3)C2)cc1 ZINC001203904098 1027696251 /nfs/dbraw/zinc/69/62/51/1027696251.db2.gz VOSLWKIZRVRHJH-UHFFFAOYSA-N 1 2 399.498 3.697 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCc3c(c(COc4ccccn4)nn3CC3CC3)C2)cc1 ZINC001203904098 1027696259 /nfs/dbraw/zinc/69/62/59/1027696259.db2.gz VOSLWKIZRVRHJH-UHFFFAOYSA-N 1 2 399.498 3.697 20 30 GHEDLO COC(=O)[C@H]1CC[N@H+](Cc2ccc(C#N)c(SC)n2)[C@H](c2ccccc2)C1 ZINC001141946055 1027726236 /nfs/dbraw/zinc/72/62/36/1027726236.db2.gz XULPODKUZCCYDZ-LPHOPBHVSA-N 1 2 381.501 3.801 20 30 GHEDLO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(C#N)c(SC)n2)[C@H](c2ccccc2)C1 ZINC001141946055 1027726247 /nfs/dbraw/zinc/72/62/47/1027726247.db2.gz XULPODKUZCCYDZ-LPHOPBHVSA-N 1 2 381.501 3.801 20 30 GHEDLO C=CCCc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)cc1 ZINC001210996614 1027744737 /nfs/dbraw/zinc/74/47/37/1027744737.db2.gz SOUFKHQZQNAHRE-NHCUHLMSSA-N 1 2 388.508 3.668 20 30 GHEDLO C=CCCc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)cc1 ZINC001210996614 1027744756 /nfs/dbraw/zinc/74/47/56/1027744756.db2.gz SOUFKHQZQNAHRE-NHCUHLMSSA-N 1 2 388.508 3.668 20 30 GHEDLO N#Cc1ccc(Nc2ccc(OCC[NH+]3CCOCC3)cc2F)cc1Cl ZINC001213482920 1028215879 /nfs/dbraw/zinc/21/58/79/1028215879.db2.gz CFJXZBBRNLXDSJ-UHFFFAOYSA-N 1 2 375.831 3.805 20 30 GHEDLO COc1ccc(Nc2cc(I)c3[nH+]ccn3c2)cc1C#N ZINC001214996627 1028988450 /nfs/dbraw/zinc/98/84/50/1028988450.db2.gz GYDZVZQQKWQNAZ-UHFFFAOYSA-N 1 2 390.184 3.563 20 30 GHEDLO C#CC[C@@H]1CCC[N@@H+](Cn2nc(-c3cccc(OC)c3)n(CC=C)c2=S)C1 ZINC000842630209 1029434689 /nfs/dbraw/zinc/43/46/89/1029434689.db2.gz ZVRQHIKBKBHIBW-QGZVFWFLSA-N 1 2 382.533 3.968 20 30 GHEDLO C#CC[C@@H]1CCC[N@H+](Cn2nc(-c3cccc(OC)c3)n(CC=C)c2=S)C1 ZINC000842630209 1029434705 /nfs/dbraw/zinc/43/47/05/1029434705.db2.gz ZVRQHIKBKBHIBW-QGZVFWFLSA-N 1 2 382.533 3.968 20 30 GHEDLO N#Cc1cccc(Nc2cncnc2[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1F ZINC001216412664 1029631734 /nfs/dbraw/zinc/63/17/34/1029631734.db2.gz LFYODHUMDLGXLN-HXUWFJFHSA-N 1 2 389.434 3.804 20 30 GHEDLO N#Cc1cccc(Nc2cncnc2[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1F ZINC001216412664 1029631747 /nfs/dbraw/zinc/63/17/47/1029631747.db2.gz LFYODHUMDLGXLN-HXUWFJFHSA-N 1 2 389.434 3.804 20 30 GHEDLO Cc1ccc(N2C[C@]3(CC[N@H+](Cc4c(F)ccc(C#N)c4F)C3)CC2=O)cc1 ZINC001143170491 1029880601 /nfs/dbraw/zinc/88/06/01/1029880601.db2.gz HINXLQIGSKMJFP-JOCHJYFZSA-N 1 2 381.426 3.774 20 30 GHEDLO Cc1ccc(N2C[C@]3(CC[N@@H+](Cc4c(F)ccc(C#N)c4F)C3)CC2=O)cc1 ZINC001143170491 1029880607 /nfs/dbraw/zinc/88/06/07/1029880607.db2.gz HINXLQIGSKMJFP-JOCHJYFZSA-N 1 2 381.426 3.774 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1c(F)ccc(C#N)c1F)C2 ZINC001143174527 1029883978 /nfs/dbraw/zinc/88/39/78/1029883978.db2.gz SGKITJFTNRPFTD-ZSBFGKGUSA-N 1 2 377.435 3.572 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1c(F)ccc(C#N)c1F)C2 ZINC001143174527 1029883985 /nfs/dbraw/zinc/88/39/85/1029883985.db2.gz SGKITJFTNRPFTD-ZSBFGKGUSA-N 1 2 377.435 3.572 20 30 GHEDLO COc1cc(O)cc(O[C@@H]2CC[NH2+]CC2(F)F)c1C(=O)/C=C/c1ccccc1 ZINC001218011599 1030721699 /nfs/dbraw/zinc/72/16/99/1030721699.db2.gz WWVBHGVWHWIBJB-IHHMQQGQSA-N 1 2 389.398 3.673 20 30 GHEDLO CC(C)(CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC001224361869 1030976043 /nfs/dbraw/zinc/97/60/43/1030976043.db2.gz LYVAKOYRFZRSTH-UHFFFAOYSA-N 1 2 382.552 3.992 20 30 GHEDLO C[C@H](C(=O)Nc1ccc(C2CC2)c(C#N)c1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001153381467 1031566637 /nfs/dbraw/zinc/56/66/37/1031566637.db2.gz MEKXYXSJHDWVGC-MRXNPFEDSA-N 1 2 392.478 3.724 20 30 GHEDLO N#Cc1cccc([C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C(F)(F)F)c1 ZINC001219912285 1031689159 /nfs/dbraw/zinc/68/91/59/1031689159.db2.gz OIYSWHHTFPWXNY-GOSISDBHSA-N 1 2 399.376 3.847 20 30 GHEDLO Nc1[nH]c2cc(C(=O)NC3=C(c4ccccc4)C(=O)c4ccccc43)ccc2[nH+]1 ZINC001156979214 1033354291 /nfs/dbraw/zinc/35/42/91/1033354291.db2.gz JQMPVKPSBWSGEZ-UHFFFAOYSA-N 1 2 380.407 3.640 20 30 GHEDLO N#Cc1nc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)ccc1Cl ZINC001158546857 1034143463 /nfs/dbraw/zinc/14/34/63/1034143463.db2.gz QCXMOOANEQRBPV-MRXNPFEDSA-N 1 2 380.801 3.860 20 30 GHEDLO N#Cc1nc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)ccc1Cl ZINC001158546857 1034143470 /nfs/dbraw/zinc/14/34/70/1034143470.db2.gz QCXMOOANEQRBPV-MRXNPFEDSA-N 1 2 380.801 3.860 20 30 GHEDLO N#Cc1cc2c(nc1N1CC[N@@H+](Cc3ccccc3)C[C@@H]1C(F)(F)F)CCC2 ZINC001158552674 1034151215 /nfs/dbraw/zinc/15/12/15/1034151215.db2.gz SQZAGDWMTVVGDQ-LJQANCHMSA-N 1 2 386.421 3.695 20 30 GHEDLO N#Cc1cc2c(nc1N1CC[N@H+](Cc3ccccc3)C[C@@H]1C(F)(F)F)CCC2 ZINC001158552674 1034151220 /nfs/dbraw/zinc/15/12/20/1034151220.db2.gz SQZAGDWMTVVGDQ-LJQANCHMSA-N 1 2 386.421 3.695 20 30 GHEDLO CN(CCC#N)c1ccc(C[NH+]2CCN(C(=O)c3ccccc3Cl)CC2)cc1 ZINC001231820627 1034928505 /nfs/dbraw/zinc/92/85/05/1034928505.db2.gz QFWODZHFQDALFT-UHFFFAOYSA-N 1 2 396.922 3.648 20 30 GHEDLO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3cc(Cl)cnc3F)CC2)C1 ZINC001231993038 1035029400 /nfs/dbraw/zinc/02/94/00/1035029400.db2.gz RJWKWKLGZLYTBW-UHFFFAOYSA-N 1 2 381.879 3.875 20 30 GHEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1nc(Cl)ccc1Br)CC2 ZINC001232058150 1035069195 /nfs/dbraw/zinc/06/91/95/1035069195.db2.gz APDHFSCWZGBFGB-UHFFFAOYSA-N 1 2 398.732 3.641 20 30 GHEDLO N#Cc1cc(Br)ccc1-c1noc([C@@H]2[NH2+]CCc3ccccc32)n1 ZINC001248332705 1035760445 /nfs/dbraw/zinc/76/04/45/1035760445.db2.gz OUNQCAQFMZKQJC-MRXNPFEDSA-N 1 2 381.233 3.606 20 30 GHEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(-c2ccccc2C[NH+]2CCOCC2)n1 ZINC001241990293 1035779889 /nfs/dbraw/zinc/77/98/89/1035779889.db2.gz SWIVPSIQEGOUBE-SIHJWBFKSA-N 1 2 399.560 3.770 20 30 GHEDLO COCc1c(C)cc(C)c(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1C ZINC001462063534 1069975226 /nfs/dbraw/zinc/97/52/26/1069975226.db2.gz VMQAUIWFYOLVFZ-YLJYHZDGSA-N 1 2 387.524 3.607 20 30 GHEDLO C=CCCCCCC[C@H](O)CNc1c2c(nn1C(=O)OCC)C(C)(C)[NH2+]C2 ZINC001245991837 1037114826 /nfs/dbraw/zinc/11/48/26/1037114826.db2.gz AUNANBMOIWEBLT-HNNXBMFYSA-N 1 2 378.517 3.525 20 30 GHEDLO COc1cccc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3C#N)CC2)c1 ZINC001232608541 1038394597 /nfs/dbraw/zinc/39/45/97/1038394597.db2.gz MDDOZLNDDSFHPA-UHFFFAOYSA-N 1 2 383.879 3.615 20 30 GHEDLO CCc1noc(C2CC[NH+](Cc3ccc(Br)c(C#N)c3)CC2)n1 ZINC001232899139 1038696231 /nfs/dbraw/zinc/69/62/31/1038696231.db2.gz MXAOPBWZQXUGOM-UHFFFAOYSA-N 1 2 375.270 3.646 20 30 GHEDLO Cc1ccc(C[N@@H+]2CCO[C@]3(CCC[C@H]3COCc3ccncc3)C2)c(C#N)c1 ZINC001232965212 1038739304 /nfs/dbraw/zinc/73/93/04/1038739304.db2.gz QNFCJKWTSFBOOW-BJKOFHAPSA-N 1 2 391.515 3.850 20 30 GHEDLO Cc1ccc(C[N@H+]2CCO[C@]3(CCC[C@H]3COCc3ccncc3)C2)c(C#N)c1 ZINC001232965212 1038739309 /nfs/dbraw/zinc/73/93/09/1038739309.db2.gz QNFCJKWTSFBOOW-BJKOFHAPSA-N 1 2 391.515 3.850 20 30 GHEDLO CCCCCCCC[C@H](O)C[N@H+]1Cc2nnn(CC3CC3)c2[C@@H](COCC)C1 ZINC001252126356 1038874553 /nfs/dbraw/zinc/87/45/53/1038874553.db2.gz OXNSYAXNPPPQHE-UXHICEINSA-N 1 2 392.588 3.735 20 30 GHEDLO CCCCCCCC[C@H](O)C[N@@H+]1Cc2nnn(CC3CC3)c2[C@@H](COCC)C1 ZINC001252126356 1038874569 /nfs/dbraw/zinc/87/45/69/1038874569.db2.gz OXNSYAXNPPPQHE-UXHICEINSA-N 1 2 392.588 3.735 20 30 GHEDLO C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(N(C)C)c(C#N)c1F ZINC001233102205 1038883194 /nfs/dbraw/zinc/88/31/94/1038883194.db2.gz SBKJHLAYZKWSJP-HOCLYGCPSA-N 1 2 390.503 3.641 20 30 GHEDLO C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(N(C)C)c(C#N)c1F ZINC001233102205 1038883219 /nfs/dbraw/zinc/88/32/19/1038883219.db2.gz SBKJHLAYZKWSJP-HOCLYGCPSA-N 1 2 390.503 3.641 20 30 GHEDLO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3c(Cl)ncnc3Cl)C2)CC1 ZINC001233406695 1039254928 /nfs/dbraw/zinc/25/49/28/1039254928.db2.gz ABJHQCBRPCUECA-UHFFFAOYSA-N 1 2 399.322 3.784 20 30 GHEDLO C=CCOC(=O)N1CCC2(CCC[N@H+](Cc3c(Cl)ncnc3Cl)C2)CC1 ZINC001233406695 1039254940 /nfs/dbraw/zinc/25/49/40/1039254940.db2.gz ABJHQCBRPCUECA-UHFFFAOYSA-N 1 2 399.322 3.784 20 30 GHEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1ccn(C(=O)OC(C)(C)C)c1)CCO2 ZINC001233431699 1039305932 /nfs/dbraw/zinc/30/59/32/1039305932.db2.gz IOSPKABXSZGGNT-SIKLNZKXSA-N 1 2 390.524 3.845 20 30 GHEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1ccn(C(=O)OC(C)(C)C)c1)CCO2 ZINC001233431699 1039305944 /nfs/dbraw/zinc/30/59/44/1039305944.db2.gz IOSPKABXSZGGNT-SIKLNZKXSA-N 1 2 390.524 3.845 20 30 GHEDLO CCCCCCCCCC[C@H](O)C[N@H+]1Cc2nnn(CC)c2[C@H](COC)C1 ZINC001252979340 1039309394 /nfs/dbraw/zinc/30/93/94/1039309394.db2.gz KPWRKSCKGYIHEO-OALUTQOASA-N 1 2 380.577 3.735 20 30 GHEDLO CCCCCCCCCC[C@H](O)C[N@@H+]1Cc2nnn(CC)c2[C@H](COC)C1 ZINC001252979340 1039309418 /nfs/dbraw/zinc/30/94/18/1039309418.db2.gz KPWRKSCKGYIHEO-OALUTQOASA-N 1 2 380.577 3.735 20 30 GHEDLO COc1cc(O)c(C(=O)/C=C/c2ccccc2)c(O[C@H]2CCc3[nH+]ccn3C2)c1 ZINC001233823137 1039643533 /nfs/dbraw/zinc/64/35/33/1039643533.db2.gz PKDNDFPAOJYIFS-LKUPDRCFSA-N 1 2 390.439 3.887 20 30 GHEDLO Cn1cc(CO[NH+]=C(N)c2ccc(OCc3ccccc3)cc2)c(C(F)F)n1 ZINC001255046917 1040750017 /nfs/dbraw/zinc/75/00/17/1040750017.db2.gz PWHQHQBDHWKRJP-UHFFFAOYSA-N 1 2 386.402 3.774 20 30 GHEDLO CC[C@@H](CC#N)[NH2+]Cc1c[nH]c(=S)n1[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001255154712 1040877910 /nfs/dbraw/zinc/87/79/10/1040877910.db2.gz GBLYRJHOTSJXHD-GJZGRUSLSA-N 1 2 376.476 3.962 20 30 GHEDLO N#Cc1ccc(CN2CCC[C@]3(C2)C[N@H+](CCCC(F)(F)F)CCO3)s1 ZINC001278925889 1041684737 /nfs/dbraw/zinc/68/47/37/1041684737.db2.gz RPIOCZQTOHRPHO-QGZVFWFLSA-N 1 2 387.471 3.629 20 30 GHEDLO N#Cc1ccc(CN2CCC[C@]3(C2)C[N@@H+](CCCC(F)(F)F)CCO3)s1 ZINC001278925889 1041684740 /nfs/dbraw/zinc/68/47/40/1041684740.db2.gz RPIOCZQTOHRPHO-QGZVFWFLSA-N 1 2 387.471 3.629 20 30 GHEDLO C=CCOC[C@H]1C[N@H+](Cc2cccc3ccoc32)Cc2nnn(CC3CC3)c21 ZINC001236730503 1041862309 /nfs/dbraw/zinc/86/23/09/1041862309.db2.gz GNZAKEXOHRSDJK-LJQANCHMSA-N 1 2 378.476 3.736 20 30 GHEDLO C=CCOC[C@H]1C[N@@H+](Cc2cccc3ccoc32)Cc2nnn(CC3CC3)c21 ZINC001236730503 1041862312 /nfs/dbraw/zinc/86/23/12/1041862312.db2.gz GNZAKEXOHRSDJK-LJQANCHMSA-N 1 2 378.476 3.736 20 30 GHEDLO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccc(OC)c(Cl)c3O)C2)C1 ZINC001236804079 1041905637 /nfs/dbraw/zinc/90/56/37/1041905637.db2.gz WYVXENXFZWFQGS-FQEVSTJZSA-N 1 2 394.899 3.665 20 30 GHEDLO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](Cc3ccc(OC)c(Cl)c3O)C2)C1 ZINC001236804079 1041905640 /nfs/dbraw/zinc/90/56/40/1041905640.db2.gz WYVXENXFZWFQGS-FQEVSTJZSA-N 1 2 394.899 3.665 20 30 GHEDLO Cc1cccc(NC(=O)NC2CC[NH+](Cc3cc(C#N)c(F)cc3F)CC2)c1 ZINC001237537672 1042255347 /nfs/dbraw/zinc/25/53/47/1042255347.db2.gz PQNGZBCABPSOEC-UHFFFAOYSA-N 1 2 384.430 3.931 20 30 GHEDLO Cn1c2ccccc2n(C2CC[NH+](Cc3cc(Cl)cc(C#N)c3)CC2)c1=O ZINC001237752177 1042354411 /nfs/dbraw/zinc/35/44/11/1042354411.db2.gz SRPIDLPNZKUGFG-UHFFFAOYSA-N 1 2 380.879 3.702 20 30 GHEDLO N#Cc1cccc(N2C[C@@]3(CC[N@@H+](Cc4cc(F)c(O)c(Cl)c4)C3)CC2=O)c1 ZINC001237988415 1042445595 /nfs/dbraw/zinc/44/55/95/1042445595.db2.gz IAALOJUDAZBOFQ-NRFANRHFSA-N 1 2 399.853 3.685 20 30 GHEDLO N#Cc1cccc(N2C[C@@]3(CC[N@H+](Cc4cc(F)c(O)c(Cl)c4)C3)CC2=O)c1 ZINC001237988415 1042445597 /nfs/dbraw/zinc/44/55/97/1042445597.db2.gz IAALOJUDAZBOFQ-NRFANRHFSA-N 1 2 399.853 3.685 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](N3Cc4c(cccc4F)C3=O)C2)c(Cl)c1 ZINC001238083909 1042486119 /nfs/dbraw/zinc/48/61/19/1042486119.db2.gz DDJDGSOORWVHHT-MRXNPFEDSA-N 1 2 383.854 3.971 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](N3Cc4c(cccc4F)C3=O)C2)c(Cl)c1 ZINC001238083909 1042486123 /nfs/dbraw/zinc/48/61/23/1042486123.db2.gz DDJDGSOORWVHHT-MRXNPFEDSA-N 1 2 383.854 3.971 20 30 GHEDLO N#CCC[N@H+](Cc1cccnc1)C1CCN(c2ncccc2C(F)(F)F)CC1 ZINC001256888016 1043723530 /nfs/dbraw/zinc/72/35/30/1043723530.db2.gz ULBUFYJIEASWCW-UHFFFAOYSA-N 1 2 389.425 3.880 20 30 GHEDLO N#CCC[N@@H+](Cc1cccnc1)C1CCN(c2ncccc2C(F)(F)F)CC1 ZINC001256888016 1043723539 /nfs/dbraw/zinc/72/35/39/1043723539.db2.gz ULBUFYJIEASWCW-UHFFFAOYSA-N 1 2 389.425 3.880 20 30 GHEDLO Cc1[nH+]ccn1Cc1ccc(NS(=O)(=O)c2ccc(C#N)cc2Cl)cc1 ZINC001259112506 1044967139 /nfs/dbraw/zinc/96/71/39/1044967139.db2.gz OGXCKXOHHRPDDM-UHFFFAOYSA-N 1 2 386.864 3.566 20 30 GHEDLO CN(c1nnc(-c2cccc(C#N)c2)n1CCCNc1cccc[nH+]1)C1CCC1 ZINC001298135289 1045711141 /nfs/dbraw/zinc/71/11/41/1045711141.db2.gz WUJMGKKPYCRSSQ-UHFFFAOYSA-N 1 2 387.491 3.703 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@H]([C@@H]2CCCO2)C1 ZINC001262977808 1046462506 /nfs/dbraw/zinc/46/25/06/1046462506.db2.gz OPJVFPBEMOMOTE-JBACZVJFSA-N 1 2 395.551 3.662 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@H]([C@@H]2CCCO2)C1 ZINC001262977808 1046462512 /nfs/dbraw/zinc/46/25/12/1046462512.db2.gz OPJVFPBEMOMOTE-JBACZVJFSA-N 1 2 395.551 3.662 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@H]1c1cccs1 ZINC001262977563 1046462650 /nfs/dbraw/zinc/46/26/50/1046462650.db2.gz IYKGPMLZMSRZEZ-SFHVURJKSA-N 1 2 396.564 3.960 20 30 GHEDLO C=CCN(C)c1nnc(Cc2ccc(F)cc2)n1CCCNc1cccc[nH+]1 ZINC001301299221 1046463256 /nfs/dbraw/zinc/46/32/56/1046463256.db2.gz DXIOJGFJEBDVIE-UHFFFAOYSA-N 1 2 380.471 3.527 20 30 GHEDLO C=C(C)Cn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC=C(COC)CC1 ZINC001263300824 1046698033 /nfs/dbraw/zinc/69/80/33/1046698033.db2.gz ARQDPHNVUNNKQY-LJQANCHMSA-N 1 2 395.551 3.830 20 30 GHEDLO C=C(C)Cn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC=C(COC)CC1 ZINC001263300824 1046698043 /nfs/dbraw/zinc/69/80/43/1046698043.db2.gz ARQDPHNVUNNKQY-LJQANCHMSA-N 1 2 395.551 3.830 20 30 GHEDLO CC(C)Cn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC[C@@H](C#N)C1 ZINC001263417756 1046799000 /nfs/dbraw/zinc/79/90/00/1046799000.db2.gz MWGJABCHENLHEQ-QUCCMNQESA-N 1 2 380.540 3.867 20 30 GHEDLO CC(C)Cn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC[C@@H](C#N)C1 ZINC001263417756 1046799013 /nfs/dbraw/zinc/79/90/13/1046799013.db2.gz MWGJABCHENLHEQ-QUCCMNQESA-N 1 2 380.540 3.867 20 30 GHEDLO CC(C)Cn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC[C@H](C#N)C1 ZINC001263417754 1046799833 /nfs/dbraw/zinc/79/98/33/1046799833.db2.gz MWGJABCHENLHEQ-AZUAARDMSA-N 1 2 380.540 3.867 20 30 GHEDLO CC(C)Cn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC[C@H](C#N)C1 ZINC001263417754 1046799841 /nfs/dbraw/zinc/79/98/41/1046799841.db2.gz MWGJABCHENLHEQ-AZUAARDMSA-N 1 2 380.540 3.867 20 30 GHEDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1 ZINC001304192937 1047610178 /nfs/dbraw/zinc/61/01/78/1047610178.db2.gz KQGJFEPKUNDFSX-QHCPKHFHSA-N 1 2 389.499 3.547 20 30 GHEDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1 ZINC001304192937 1047610182 /nfs/dbraw/zinc/61/01/82/1047610182.db2.gz KQGJFEPKUNDFSX-QHCPKHFHSA-N 1 2 389.499 3.547 20 30 GHEDLO CCCCCCC/C=C/C[NH+]1CC2(CCN2C(=O)Cn2cc(Cl)cn2)C1 ZINC001279481267 1047820059 /nfs/dbraw/zinc/82/00/59/1047820059.db2.gz OCFIJPNCYYRNJC-CMDGGOBGSA-N 1 2 378.948 3.740 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2=CCCCC2)CC1 ZINC001286475391 1048335818 /nfs/dbraw/zinc/33/58/18/1048335818.db2.gz YKGXRODLGYPPBS-UHFFFAOYSA-N 1 2 395.938 3.854 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(C3CCCC3)n2CCCCc2ccccc2)CC1 ZINC001286480301 1048336050 /nfs/dbraw/zinc/33/60/50/1048336050.db2.gz VIERGCJOLKMZAM-UHFFFAOYSA-N 1 2 391.563 3.714 20 30 GHEDLO C=CCN(c1nnc(CC)n1C[C@H](c1c(F)cccc1F)[NH+](C)C)C1CC1 ZINC001286735944 1048494608 /nfs/dbraw/zinc/49/46/08/1048494608.db2.gz TYRMSYSVTXLNTB-QGZVFWFLSA-N 1 2 375.467 3.576 20 30 GHEDLO Cc1cc(N2CCN(c3cc(C(F)(F)F)cc(C#N)n3)CC2)nc(C(C)C)[nH+]1 ZINC001306916967 1048958387 /nfs/dbraw/zinc/95/83/87/1048958387.db2.gz AQBKXQYHPABZAK-UHFFFAOYSA-N 1 2 390.413 3.521 20 30 GHEDLO CCO[C@@H]1C[N@H+](Cc2ccc(Cl)cc2C#N)C[C@H]1CNC(=O)OC(C)(C)C ZINC001307900999 1049678526 /nfs/dbraw/zinc/67/85/26/1049678526.db2.gz VGMNWEBAFBFCIQ-SJLPKXTDSA-N 1 2 393.915 3.573 20 30 GHEDLO CCO[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2C#N)C[C@H]1CNC(=O)OC(C)(C)C ZINC001307900999 1049678529 /nfs/dbraw/zinc/67/85/29/1049678529.db2.gz VGMNWEBAFBFCIQ-SJLPKXTDSA-N 1 2 393.915 3.573 20 30 GHEDLO COC(=O)c1cnc(CC2CC[NH+](Cc3ccc(Cl)cc3C#N)CC2)s1 ZINC001308042336 1049792544 /nfs/dbraw/zinc/79/25/44/1049792544.db2.gz DPMZZFDJLXQJNX-UHFFFAOYSA-N 1 2 389.908 3.909 20 30 GHEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CC[C@@H](C)[C@H]1c1ccccc1 ZINC001343420871 1053762226 /nfs/dbraw/zinc/76/22/26/1053762226.db2.gz VWHDNZQTWZVPSS-UTKZUKDTSA-N 1 2 376.508 3.766 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC(OC2CCCCC2)CC1 ZINC001343457394 1053782860 /nfs/dbraw/zinc/78/28/60/1053782860.db2.gz OFANWMUWPAHLQM-HXUWFJFHSA-N 1 2 387.572 3.939 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC(OC2CCCCC2)CC1 ZINC001343457394 1053782867 /nfs/dbraw/zinc/78/28/67/1053782867.db2.gz OFANWMUWPAHLQM-HXUWFJFHSA-N 1 2 387.572 3.939 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N(C)Cc1ccccn1 ZINC001343495811 1053812231 /nfs/dbraw/zinc/81/22/31/1053812231.db2.gz TYCQTCOJDVBKIJ-LJQANCHMSA-N 1 2 379.512 3.718 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCO[C@](C)(CC)C1 ZINC001343496312 1053812527 /nfs/dbraw/zinc/81/25/27/1053812527.db2.gz YJUFQQICTZXKTP-WIYYLYMNSA-N 1 2 386.544 3.692 20 30 GHEDLO C#CC[C@H]1CCCN(c2nnc([C@H]3CCCC[N@H+]3C)n2Cc2cccs2)C1 ZINC001344787743 1054743013 /nfs/dbraw/zinc/74/30/13/1054743013.db2.gz YBJWCYJZSBCFAD-PKOBYXMFSA-N 1 2 383.565 3.784 20 30 GHEDLO C#CC[C@H]1CCCN(c2nnc([C@H]3CCCC[N@@H+]3C)n2Cc2cccs2)C1 ZINC001344787743 1054743027 /nfs/dbraw/zinc/74/30/27/1054743027.db2.gz YBJWCYJZSBCFAD-PKOBYXMFSA-N 1 2 383.565 3.784 20 30 GHEDLO C=C[C@H](C(=O)NC1(c2noc(C[NH+](CC)CC)n2)CCCC1)c1ccccc1 ZINC001345680746 1055202224 /nfs/dbraw/zinc/20/22/24/1055202224.db2.gz KJHBVPDBRNPYKA-SFHVURJKSA-N 1 2 382.508 3.767 20 30 GHEDLO C=CCO[C@@H]1CCN(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC001320064971 1055631337 /nfs/dbraw/zinc/63/13/37/1055631337.db2.gz YBFDKDPRGAXETF-CRAIPNDOSA-N 1 2 395.906 3.603 20 30 GHEDLO N#Cc1cccc(CNC(=O)[C@H](c2cccc(Br)c2)[NH+]2CCCC2)c1 ZINC001354171768 1056393070 /nfs/dbraw/zinc/39/30/70/1056393070.db2.gz VYFGTYLLQGNLBB-IBGZPJMESA-N 1 2 398.304 3.774 20 30 GHEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001354236496 1056458144 /nfs/dbraw/zinc/45/81/44/1056458144.db2.gz YVMBHSWEJXYXQY-UHFFFAOYSA-N 1 2 389.415 3.703 20 30 GHEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1Cc2ccc(Cl)cc2C1 ZINC001355875339 1057302134 /nfs/dbraw/zinc/30/21/34/1057302134.db2.gz BAZNBVKKDIWOCX-RTBURBONSA-N 1 2 399.926 3.564 20 30 GHEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1Cc2ccc(Cl)cc2C1 ZINC001355875339 1057302141 /nfs/dbraw/zinc/30/21/41/1057302141.db2.gz BAZNBVKKDIWOCX-RTBURBONSA-N 1 2 399.926 3.564 20 30 GHEDLO N#Cc1cccc(-c2nnc(-c3cccc(NC(=O)CCn4cc[nH+]c4)c3)o2)c1 ZINC001326304331 1057452425 /nfs/dbraw/zinc/45/24/25/1057452425.db2.gz XVXYCGPTKCKHSL-UHFFFAOYSA-N 1 2 384.399 3.501 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC001338896180 1058866058 /nfs/dbraw/zinc/86/60/58/1058866058.db2.gz QJSRSRUBCAHTOR-PXNSSMCTSA-N 1 2 397.571 3.851 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC001338896180 1058866084 /nfs/dbraw/zinc/86/60/84/1058866084.db2.gz QJSRSRUBCAHTOR-PXNSSMCTSA-N 1 2 397.571 3.851 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@H](c2cc(C(C)C)n[nH]2)C1 ZINC001338896180 1058866111 /nfs/dbraw/zinc/86/61/11/1058866111.db2.gz QJSRSRUBCAHTOR-PXNSSMCTSA-N 1 2 397.571 3.851 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@H](c2cc(C(C)C)n[nH]2)C1 ZINC001338896180 1058866135 /nfs/dbraw/zinc/86/61/35/1058866135.db2.gz QJSRSRUBCAHTOR-PXNSSMCTSA-N 1 2 397.571 3.851 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCCC(F)(F)CC1 ZINC001339135740 1058975281 /nfs/dbraw/zinc/97/52/81/1058975281.db2.gz MYOGNDTWWWEFAM-MRXNPFEDSA-N 1 2 378.471 3.922 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@@H](C)[C@H]1c1ccccc1 ZINC001339367714 1059147564 /nfs/dbraw/zinc/14/75/64/1059147564.db2.gz KZJBCSCEMAMKMO-NQIIRXRSSA-N 1 2 392.551 3.979 20 30 GHEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@@H](c2ccccc2)CC1 ZINC001339630315 1059357987 /nfs/dbraw/zinc/35/79/87/1059357987.db2.gz WWVXPHBMHXNIGY-HXUWFJFHSA-N 1 2 392.551 3.682 20 30 GHEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N(C)Cc1nccs1 ZINC001339775062 1059458867 /nfs/dbraw/zinc/45/88/67/1059458867.db2.gz RDFODHXXOCHBSO-MRXNPFEDSA-N 1 2 382.537 3.750 20 30 GHEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N(C)Cc1nccs1 ZINC001339775062 1059458873 /nfs/dbraw/zinc/45/88/73/1059458873.db2.gz RDFODHXXOCHBSO-MRXNPFEDSA-N 1 2 382.537 3.750 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@@]2(CC2(F)F)C1 ZINC001339775814 1059461604 /nfs/dbraw/zinc/46/16/04/1059461604.db2.gz ZVMLOKMDEFRVGL-OXJNMPFZSA-N 1 2 387.478 3.893 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@@]2(CC2(F)F)C1 ZINC001339775814 1059461614 /nfs/dbraw/zinc/46/16/14/1059461614.db2.gz ZVMLOKMDEFRVGL-OXJNMPFZSA-N 1 2 387.478 3.893 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCc2ccsc2[C@@H]1C ZINC001340152262 1059729643 /nfs/dbraw/zinc/72/96/43/1059729643.db2.gz MRMZKSMEYBMIRI-HNNXBMFYSA-N 1 2 384.553 3.576 20 30 GHEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC[C@@H](COCC)C1 ZINC001340491679 1059950996 /nfs/dbraw/zinc/95/09/96/1059950996.db2.gz RJXKFLWEURTXDS-TZIWHRDSSA-N 1 2 397.567 3.910 20 30 GHEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC[C@@H](COCC)C1 ZINC001340491679 1059951003 /nfs/dbraw/zinc/95/10/03/1059951003.db2.gz RJXKFLWEURTXDS-TZIWHRDSSA-N 1 2 397.567 3.910 20 30 GHEDLO C=C(C)Cn1c(Cc2[nH+]ccn2Cc2ccccc2)nnc1N1CC[C@H]2C[C@H]2C1 ZINC001341868487 1060930309 /nfs/dbraw/zinc/93/03/09/1060930309.db2.gz PSSKUJATFMLHON-PMACEKPBSA-N 1 2 388.519 3.536 20 30 GHEDLO C[C@@H]1CN(c2nnc(C3CC[NH+](CCC#N)CC3)n2Cc2ccccc2)C[C@H]1C ZINC001342161844 1061096037 /nfs/dbraw/zinc/09/60/37/1061096037.db2.gz CKYXXSWZPLDJEW-RTBURBONSA-N 1 2 392.551 3.512 20 30 GHEDLO Cc1cn2c([nH+]1)[C@@H](Cn1c(CC3CCCC3)nnc1N(C)[C@@H](C)CC#N)CCC2 ZINC001492628459 1061829555 /nfs/dbraw/zinc/82/95/55/1061829555.db2.gz GFDXKQYFVUJPJW-PKOBYXMFSA-N 1 2 395.555 3.832 20 30 GHEDLO COc1cccc(Nc2nnc(C3CC[NH+](CCC#N)CC3)n2CC2CC2)c1 ZINC001347964082 1062810735 /nfs/dbraw/zinc/81/07/35/1062810735.db2.gz BULZIHQIXBJLBJ-UHFFFAOYSA-N 1 2 380.496 3.533 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)Cc1cc(C)ccc1F ZINC001351949857 1064726312 /nfs/dbraw/zinc/72/63/12/1064726312.db2.gz TYOMMKJRUMJEJY-UHFFFAOYSA-N 1 2 396.514 3.641 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC[C@@H](COCC)C1 ZINC001351981863 1064746450 /nfs/dbraw/zinc/74/64/50/1064746450.db2.gz UMGDNCJSNPEHJZ-RTBURBONSA-N 1 2 386.544 3.549 20 30 GHEDLO C=CCn1c([C@@H](OC)C2CCCC2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001351993528 1064752149 /nfs/dbraw/zinc/75/21/49/1064752149.db2.gz WAVKNXFPKRPQJJ-FQEVSTJZSA-N 1 2 396.539 3.818 20 30 GHEDLO C#C[C@@H]1CCCN(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC001467629529 1067391356 /nfs/dbraw/zinc/39/13/56/1067391356.db2.gz IGKYPWJLZQPGOI-QAPCUYQASA-N 1 2 377.891 3.671 20 30 GHEDLO C#C[C@H](C)N(C)c1nnc(CC(C)(C)C)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001358892311 1067598854 /nfs/dbraw/zinc/59/88/54/1067598854.db2.gz WWJCZYTUMDALPW-SFHVURJKSA-N 1 2 390.535 3.618 20 30 GHEDLO C=CCN(Cc1cccs1)c1nnc(C2CC2)n1Cc1c[nH+]ccc1OC ZINC001359263206 1067925639 /nfs/dbraw/zinc/92/56/39/1067925639.db2.gz UJXKPMMVOTUUMX-UHFFFAOYSA-N 1 2 381.505 3.862 20 30 GHEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001460197058 1068854946 /nfs/dbraw/zinc/85/49/46/1068854946.db2.gz NTOBINCOCPFZKH-RTWAWAEBSA-N 1 2 398.528 3.510 20 30 GHEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001460197058 1068854957 /nfs/dbraw/zinc/85/49/57/1068854957.db2.gz NTOBINCOCPFZKH-RTWAWAEBSA-N 1 2 398.528 3.510 20 30 GHEDLO C=CCCCN(CC)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC001478351605 1078827469 /nfs/dbraw/zinc/82/74/69/1078827469.db2.gz GEJPHYNGFGFFII-RBUKOAKNSA-N 1 2 379.932 3.709 20 30 GHEDLO C=CCCCN(CC)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC001478351605 1078827472 /nfs/dbraw/zinc/82/74/72/1078827472.db2.gz GEJPHYNGFGFFII-RBUKOAKNSA-N 1 2 379.932 3.709 20 30 GHEDLO C[N@H+](Cc1cc(C#N)cs1)[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC001460845036 1069214996 /nfs/dbraw/zinc/21/49/96/1069214996.db2.gz AIKDNDAFMWUNRF-KRWDZBQOSA-N 1 2 391.443 3.849 20 30 GHEDLO C[N@@H+](Cc1cc(C#N)cs1)[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC001460845036 1069215007 /nfs/dbraw/zinc/21/50/07/1069215007.db2.gz AIKDNDAFMWUNRF-KRWDZBQOSA-N 1 2 391.443 3.849 20 30 GHEDLO N#Cc1ccc(CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1F ZINC001470522640 1072607047 /nfs/dbraw/zinc/60/70/47/1072607047.db2.gz LOYYGCLJCLXQFR-NHCUHLMSSA-N 1 2 389.434 3.622 20 30 GHEDLO N#Cc1ccc(CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1F ZINC001470522645 1072607420 /nfs/dbraw/zinc/60/74/20/1072607420.db2.gz LOYYGCLJCLXQFR-SFTDATJTSA-N 1 2 389.434 3.622 20 30 GHEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001470557712 1072625074 /nfs/dbraw/zinc/62/50/74/1072625074.db2.gz KMSJHVHNZAOGAR-FGZHOGPDSA-N 1 2 385.471 3.873 20 30 GHEDLO N#Cc1ccc2[nH]c(NC(=O)[C@@H]3CCCC[N@@H+]3Cc3cccc(F)c3)nc2c1 ZINC001470719955 1072705302 /nfs/dbraw/zinc/70/53/02/1072705302.db2.gz YYPXGWZNMNAXAG-IBGZPJMESA-N 1 2 377.423 3.567 20 30 GHEDLO N#Cc1ccc2[nH]c(NC(=O)[C@@H]3CCCC[N@H+]3Cc3cccc(F)c3)nc2c1 ZINC001470719955 1072705295 /nfs/dbraw/zinc/70/52/95/1072705295.db2.gz YYPXGWZNMNAXAG-IBGZPJMESA-N 1 2 377.423 3.567 20 30 GHEDLO CCC(CC)(CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC001471133015 1072935045 /nfs/dbraw/zinc/93/50/45/1072935045.db2.gz OCDAUXNYDFWVJD-UHFFFAOYSA-N 1 2 396.457 3.754 20 30 GHEDLO C#CC[N@@H+](CC(=O)NCCc1cccc(Cl)c1Cl)Cc1ccccc1 ZINC001473454030 1073971462 /nfs/dbraw/zinc/97/14/62/1073971462.db2.gz MWRGHHZAGHETKB-UHFFFAOYSA-N 1 2 375.299 3.788 20 30 GHEDLO C#CC[N@H+](CC(=O)NCCc1cccc(Cl)c1Cl)Cc1ccccc1 ZINC001473454030 1073971463 /nfs/dbraw/zinc/97/14/63/1073971463.db2.gz MWRGHHZAGHETKB-UHFFFAOYSA-N 1 2 375.299 3.788 20 30 GHEDLO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2nc3c(cc2C#N)COCC3)CC1 ZINC000580756097 837400916 /nfs/dbraw/zinc/40/09/16/837400916.db2.gz HQALLFMMTACDAM-OAQYLSRUSA-N 1 2 398.457 3.577 20 30 GHEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2ccccc2OC2CC2)CC1 ZINC000581277676 837492406 /nfs/dbraw/zinc/49/24/06/837492406.db2.gz OTVBMSWLEIGMKC-UHFFFAOYSA-N 1 2 390.443 3.670 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179113527 834897873 /nfs/dbraw/zinc/89/78/73/834897873.db2.gz WLNOEVFIXLAOJH-MOPGFXCFSA-N 1 2 386.858 3.595 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)NCc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179113527 834897877 /nfs/dbraw/zinc/89/78/77/834897877.db2.gz WLNOEVFIXLAOJH-MOPGFXCFSA-N 1 2 386.858 3.595 20 30 GHEDLO C[N@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000583724946 834935487 /nfs/dbraw/zinc/93/54/87/834935487.db2.gz LGZHUJUUCDBWPG-UHFFFAOYSA-N 1 2 383.320 3.926 20 30 GHEDLO C[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000583724946 834935492 /nfs/dbraw/zinc/93/54/92/834935492.db2.gz LGZHUJUUCDBWPG-UHFFFAOYSA-N 1 2 383.320 3.926 20 30 GHEDLO C[N@H+](CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)Cc1ccc(C#N)cc1 ZINC000052580717 835031182 /nfs/dbraw/zinc/03/11/82/835031182.db2.gz BCHHNMRYAOVWSV-UHFFFAOYSA-N 1 2 387.365 3.524 20 30 GHEDLO C[N@@H+](CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)Cc1ccc(C#N)cc1 ZINC000052580717 835031190 /nfs/dbraw/zinc/03/11/90/835031190.db2.gz BCHHNMRYAOVWSV-UHFFFAOYSA-N 1 2 387.365 3.524 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2ccc(C#N)c(Cl)c2)[C@H](C)C1 ZINC000548845009 835149930 /nfs/dbraw/zinc/14/99/30/835149930.db2.gz VIMDIDDUWYTKHQ-MRXNPFEDSA-N 1 2 397.906 3.957 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2ccc(C#N)c(Cl)c2)[C@H](C)C1 ZINC000548845009 835149934 /nfs/dbraw/zinc/14/99/34/835149934.db2.gz VIMDIDDUWYTKHQ-MRXNPFEDSA-N 1 2 397.906 3.957 20 30 GHEDLO O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC000329593140 835317391 /nfs/dbraw/zinc/31/73/91/835317391.db2.gz OFQCYZYVMKWIFU-KRWDZBQOSA-N 1 2 399.516 3.689 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2ccc(Cl)c(C#N)c2)[C@@H](C)C1 ZINC000573189850 835890072 /nfs/dbraw/zinc/89/00/72/835890072.db2.gz VNLAOWJLCOQVEP-INIZCTEOSA-N 1 2 397.906 3.957 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2ccc(Cl)c(C#N)c2)[C@@H](C)C1 ZINC000573189850 835890076 /nfs/dbraw/zinc/89/00/76/835890076.db2.gz VNLAOWJLCOQVEP-INIZCTEOSA-N 1 2 397.906 3.957 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000548905476 835925064 /nfs/dbraw/zinc/92/50/64/835925064.db2.gz OCXRYYNQZABLBB-LIRRHRJNSA-N 1 2 395.528 3.681 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000548905476 835925066 /nfs/dbraw/zinc/92/50/66/835925066.db2.gz OCXRYYNQZABLBB-LIRRHRJNSA-N 1 2 395.528 3.681 20 30 GHEDLO Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000364469173 836021987 /nfs/dbraw/zinc/02/19/87/836021987.db2.gz YKSZTKVKLRQFOG-IBGZPJMESA-N 1 2 388.446 3.998 20 30 GHEDLO N#Cc1ccccc1COc1cccc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000120759352 836281314 /nfs/dbraw/zinc/28/13/14/836281314.db2.gz ZYCKAZFRRSWNSZ-HSZRJFAPSA-N 1 2 399.450 3.826 20 30 GHEDLO COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000510238978 836920483 /nfs/dbraw/zinc/92/04/83/836920483.db2.gz JFWRJKKMPZMSKR-UWJYYQICSA-N 1 2 398.528 3.814 20 30 GHEDLO COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000510238978 836920490 /nfs/dbraw/zinc/92/04/90/836920490.db2.gz JFWRJKKMPZMSKR-UWJYYQICSA-N 1 2 398.528 3.814 20 30 GHEDLO Cn1cc(C[N@@H+]2CCO[C@@H](c3ccccc3F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180060083 836980633 /nfs/dbraw/zinc/98/06/33/836980633.db2.gz LVNAMGSDKNFLDM-OAQYLSRUSA-N 1 2 376.435 3.671 20 30 GHEDLO Cn1cc(C[N@H+]2CCO[C@@H](c3ccccc3F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180060083 836980644 /nfs/dbraw/zinc/98/06/44/836980644.db2.gz LVNAMGSDKNFLDM-OAQYLSRUSA-N 1 2 376.435 3.671 20 30 GHEDLO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCc1ccc(N)[nH+]c1 ZINC000548974878 837098835 /nfs/dbraw/zinc/09/88/35/837098835.db2.gz RXRWGKKYACQTAP-UHFFFAOYSA-N 1 2 387.443 3.575 20 30 GHEDLO Cc1c(C#N)cccc1NC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000431744331 837281844 /nfs/dbraw/zinc/28/18/44/837281844.db2.gz MDMXYCGCVBLLKJ-MRXNPFEDSA-N 1 2 384.430 3.931 20 30 GHEDLO Cc1c(C#N)cccc1NC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000431744331 837281855 /nfs/dbraw/zinc/28/18/55/837281855.db2.gz MDMXYCGCVBLLKJ-MRXNPFEDSA-N 1 2 384.430 3.931 20 30 GHEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cc(Br)ccc1F)C2 ZINC001204495744 837929605 /nfs/dbraw/zinc/92/96/05/837929605.db2.gz CCROPNRTIZMFLJ-WMZOPIPTSA-N 1 2 384.289 3.914 20 30 GHEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1cc(Br)ccc1F)C2 ZINC001204495744 837929615 /nfs/dbraw/zinc/92/96/15/837929615.db2.gz CCROPNRTIZMFLJ-WMZOPIPTSA-N 1 2 384.289 3.914 20 30 GHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1cc(C)c(N(C)C)cc1C#N ZINC000415704644 838016065 /nfs/dbraw/zinc/01/60/65/838016065.db2.gz KEFJEKZHMCPMKO-UHFFFAOYSA-N 1 2 383.402 3.508 20 30 GHEDLO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000609079136 838067800 /nfs/dbraw/zinc/06/78/00/838067800.db2.gz LCIHYJGUZDSZBZ-QGZVFWFLSA-N 1 2 389.459 3.852 20 30 GHEDLO CC(C)c1nn(-c2ccccc2)cc1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000122900318 838683860 /nfs/dbraw/zinc/68/38/60/838683860.db2.gz SWBVDMTVXYLQKD-UHFFFAOYSA-N 1 2 386.503 3.585 20 30 GHEDLO C=C(C)CN(Cc1ccccc1)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000471521274 838685857 /nfs/dbraw/zinc/68/58/57/838685857.db2.gz IKPXXCHRGMMXOL-UHFFFAOYSA-N 1 2 393.531 3.807 20 30 GHEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C#N)ccc1Br ZINC000549423390 838952092 /nfs/dbraw/zinc/95/20/92/838952092.db2.gz UMCICEXGYLQARX-SJORKVTESA-N 1 2 383.293 3.875 20 30 GHEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C#N)ccc1Br ZINC000549423390 838952097 /nfs/dbraw/zinc/95/20/97/838952097.db2.gz UMCICEXGYLQARX-SJORKVTESA-N 1 2 383.293 3.875 20 30 GHEDLO COC(=O)c1sc2ncc(C(=O)/C=C\c3c[nH+]c4ccccn34)cc2c1C ZINC000255207142 839528972 /nfs/dbraw/zinc/52/89/72/839528972.db2.gz JIZAKFCIUNZLGL-SREVYHEPSA-N 1 2 377.425 3.935 20 30 GHEDLO C=C(C)Cn1c(CC)nnc1N1CC[NH+]([C@@H](CC)c2ccc(F)cc2F)CC1 ZINC000549261703 839671389 /nfs/dbraw/zinc/67/13/89/839671389.db2.gz UEOVNGJTOOVRCC-IBGZPJMESA-N 1 2 389.494 3.968 20 30 GHEDLO Cc1oc(NC(=O)C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccco2)c(C#N)c1C ZINC000156718473 840485457 /nfs/dbraw/zinc/48/54/57/840485457.db2.gz XJBSEFROGAFMIT-IBGZPJMESA-N 1 2 393.443 3.535 20 30 GHEDLO Cc1oc(NC(=O)C[N@H+](Cc2ccccc2)C[C@H](O)c2ccco2)c(C#N)c1C ZINC000156718473 840485461 /nfs/dbraw/zinc/48/54/61/840485461.db2.gz XJBSEFROGAFMIT-IBGZPJMESA-N 1 2 393.443 3.535 20 30 GHEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@@H](c3ccccc3)C2)nc1-c1cnccn1 ZINC000157010693 840992010 /nfs/dbraw/zinc/99/20/10/840992010.db2.gz SEWMYIQHHPPMDE-QGZVFWFLSA-N 1 2 378.505 3.504 20 30 GHEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@@H](c3ccccc3)C2)nc1-c1cnccn1 ZINC000157010693 840992027 /nfs/dbraw/zinc/99/20/27/840992027.db2.gz SEWMYIQHHPPMDE-QGZVFWFLSA-N 1 2 378.505 3.504 20 30 GHEDLO Cc1cc(C)c2ncc(C#N)c(N3CCC[N@H+](Cc4cscn4)CC3)c2c1 ZINC000301409783 841179080 /nfs/dbraw/zinc/17/90/80/841179080.db2.gz OGAHJPCEVMQIFU-UHFFFAOYSA-N 1 2 377.517 3.892 20 30 GHEDLO Cc1cc(C)c2ncc(C#N)c(N3CCC[N@@H+](Cc4cscn4)CC3)c2c1 ZINC000301409783 841179084 /nfs/dbraw/zinc/17/90/84/841179084.db2.gz OGAHJPCEVMQIFU-UHFFFAOYSA-N 1 2 377.517 3.892 20 30 GHEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(Cl)ccc2OCc2cccnc2)C1=O ZINC000500015525 841261284 /nfs/dbraw/zinc/26/12/84/841261284.db2.gz DLKNRKYXFXWYNF-LJQANCHMSA-N 1 2 385.895 3.533 20 30 GHEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(Cl)ccc2OCc2cccnc2)C1=O ZINC000500015525 841261292 /nfs/dbraw/zinc/26/12/92/841261292.db2.gz DLKNRKYXFXWYNF-LJQANCHMSA-N 1 2 385.895 3.533 20 30 GHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc[nH]2)c1C#N ZINC000125358743 841420302 /nfs/dbraw/zinc/42/03/02/841420302.db2.gz CXMPJRDRGGRHLF-FQEVSTJZSA-N 1 2 391.475 3.722 20 30 GHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCC[C@H]2c2ccc[nH]2)c1C#N ZINC000125358743 841420313 /nfs/dbraw/zinc/42/03/13/841420313.db2.gz CXMPJRDRGGRHLF-FQEVSTJZSA-N 1 2 391.475 3.722 20 30 GHEDLO C=CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc(C)c(OC)c3)CC2)cc1 ZINC000510452606 842057634 /nfs/dbraw/zinc/05/76/34/842057634.db2.gz AUPKKWOLIYAPNN-UHFFFAOYSA-N 1 2 380.488 3.526 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000171028641 861267166 /nfs/dbraw/zinc/26/71/66/861267166.db2.gz HKYFOFDMGODHKZ-UHFFFAOYSA-N 1 2 375.388 3.649 20 30 GHEDLO N#CCOc1ccc(/C=C/C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000278933407 842137937 /nfs/dbraw/zinc/13/79/37/842137937.db2.gz KGBDEKCHNKSYBQ-RMKNXTFCSA-N 1 2 390.487 3.541 20 30 GHEDLO CC(C)CC[N@@H+]1Cc2cccc(NS(=O)(=O)c3cccc(CC#N)c3)c2C1 ZINC000585722716 842215807 /nfs/dbraw/zinc/21/58/07/842215807.db2.gz IPFZBVYHEQZRHS-UHFFFAOYSA-N 1 2 383.517 3.915 20 30 GHEDLO CC(C)CC[N@H+]1Cc2cccc(NS(=O)(=O)c3cccc(CC#N)c3)c2C1 ZINC000585722716 842215817 /nfs/dbraw/zinc/21/58/17/842215817.db2.gz IPFZBVYHEQZRHS-UHFFFAOYSA-N 1 2 383.517 3.915 20 30 GHEDLO N#Cc1cccc(NC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)n1 ZINC000570160796 842267023 /nfs/dbraw/zinc/26/70/23/842267023.db2.gz LQSFHSWCDCMGCX-MRXNPFEDSA-N 1 2 387.846 3.704 20 30 GHEDLO C=CCNC(=O)[C@@H](C)Sc1nnc([C@@H](C)[NH+]2CCCCC2)n1-c1ccccc1 ZINC000025744062 842431185 /nfs/dbraw/zinc/43/11/85/842431185.db2.gz MCWHMHGOSLHMGU-IAGOWNOFSA-N 1 2 399.564 3.597 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000512165684 842704819 /nfs/dbraw/zinc/70/48/19/842704819.db2.gz HMHFOWCOZRHWNT-LJQANCHMSA-N 1 2 392.858 3.748 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000512165684 842704828 /nfs/dbraw/zinc/70/48/28/842704828.db2.gz HMHFOWCOZRHWNT-LJQANCHMSA-N 1 2 392.858 3.748 20 30 GHEDLO Cc1sc(NC(=O)CN2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)c(C#N)c1C ZINC000548350373 842747223 /nfs/dbraw/zinc/74/72/23/842747223.db2.gz KWUFUPWJRXMAFE-QGZVFWFLSA-N 1 2 383.521 3.614 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](CN3C[C@@H](c4cccc(F)c4)CC3=O)CC2)cc1 ZINC000728903796 842963319 /nfs/dbraw/zinc/96/33/19/842963319.db2.gz ZIQTUYSLBSKNEM-IBGZPJMESA-N 1 2 393.462 3.514 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000512201772 843077793 /nfs/dbraw/zinc/07/77/93/843077793.db2.gz ZXSQAMFUSBAVRX-AWEZNQCLSA-N 1 2 394.418 3.779 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000512201772 843077804 /nfs/dbraw/zinc/07/78/04/843077804.db2.gz ZXSQAMFUSBAVRX-AWEZNQCLSA-N 1 2 394.418 3.779 20 30 GHEDLO C[N@@H+](CC#Cc1ccc(Cl)cc1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430928985 843201611 /nfs/dbraw/zinc/20/16/11/843201611.db2.gz VVSMCTCELAXIHN-UHFFFAOYSA-N 1 2 387.999 3.820 20 30 GHEDLO Cc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000599637810 861432783 /nfs/dbraw/zinc/43/27/83/861432783.db2.gz VRMMWKJJRLQLJW-PKOBYXMFSA-N 1 2 390.325 3.703 20 30 GHEDLO Cc1cc(Br)ccc1[C@@H]1CCC[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000599637810 861432787 /nfs/dbraw/zinc/43/27/87/861432787.db2.gz VRMMWKJJRLQLJW-PKOBYXMFSA-N 1 2 390.325 3.703 20 30 GHEDLO N#C[C@@H](C(=O)C[N@H+](C1CC1)[C@@H]1CCc2ccccc21)c1nc2ccccc2c(=O)[nH]1 ZINC000728913613 843654788 /nfs/dbraw/zinc/65/47/88/843654788.db2.gz DFMSXORBZWLOLP-PZJWPPBQSA-N 1 2 398.466 3.664 20 30 GHEDLO N#C[C@@H](C(=O)C[N@@H+](C1CC1)[C@@H]1CCc2ccccc21)c1nc2ccccc2c(=O)[nH]1 ZINC000728913613 843654791 /nfs/dbraw/zinc/65/47/91/843654791.db2.gz DFMSXORBZWLOLP-PZJWPPBQSA-N 1 2 398.466 3.664 20 30 GHEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000433253335 843937698 /nfs/dbraw/zinc/93/76/98/843937698.db2.gz FNRCGCWIKRISAR-HXUWFJFHSA-N 1 2 393.491 3.783 20 30 GHEDLO N#Cc1cccnc1N1CC[NH+](Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000247654041 844754520 /nfs/dbraw/zinc/75/45/20/844754520.db2.gz OKWDFKNGRGKIHN-UHFFFAOYSA-N 1 2 379.851 3.584 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(c2cnn(C)c2)CC1 ZINC000329516930 861572922 /nfs/dbraw/zinc/57/29/22/861572922.db2.gz PDHIKBAZOPCJSR-ZDUSSCGKSA-N 1 2 383.521 3.698 20 30 GHEDLO CCc1cccc(NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c1 ZINC000512812373 845618716 /nfs/dbraw/zinc/61/87/16/845618716.db2.gz STLOTNHUJHHIKJ-UHFFFAOYSA-N 1 2 381.451 3.742 20 30 GHEDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cccc1[N+](=O)[O-] ZINC000502547769 846187685 /nfs/dbraw/zinc/18/76/85/846187685.db2.gz DYENRWJQGJAEHS-INIZCTEOSA-N 1 2 390.443 3.891 20 30 GHEDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cccc1[N+](=O)[O-] ZINC000502547769 846187690 /nfs/dbraw/zinc/18/76/90/846187690.db2.gz DYENRWJQGJAEHS-INIZCTEOSA-N 1 2 390.443 3.891 20 30 GHEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 ZINC000367016652 846374093 /nfs/dbraw/zinc/37/40/93/846374093.db2.gz LLQUONRRFRGXII-LBPRGKRZSA-N 1 2 393.369 3.602 20 30 GHEDLO COc1ccc(C[N@H+](C)CC(=O)Nc2c(Cl)cccc2Cl)cc1C#N ZINC000134976122 846462615 /nfs/dbraw/zinc/46/26/15/846462615.db2.gz PYFGPKZSLMIBCV-UHFFFAOYSA-N 1 2 378.259 3.944 20 30 GHEDLO COc1ccc(C[N@@H+](C)CC(=O)Nc2c(Cl)cccc2Cl)cc1C#N ZINC000134976122 846462624 /nfs/dbraw/zinc/46/26/24/846462624.db2.gz PYFGPKZSLMIBCV-UHFFFAOYSA-N 1 2 378.259 3.944 20 30 GHEDLO CCC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H](C)c1ccccc1OC ZINC000478412059 847072216 /nfs/dbraw/zinc/07/22/16/847072216.db2.gz BQEMTTCTMRKSEA-KRWDZBQOSA-N 1 2 386.517 3.814 20 30 GHEDLO CCC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H](C)c1ccccc1OC ZINC000478412059 847072224 /nfs/dbraw/zinc/07/22/24/847072224.db2.gz BQEMTTCTMRKSEA-KRWDZBQOSA-N 1 2 386.517 3.814 20 30 GHEDLO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3cncc(Br)c3)CC2)c1 ZINC000502198970 847600331 /nfs/dbraw/zinc/60/03/31/847600331.db2.gz XCTFSCCDGJCHHQ-UHFFFAOYSA-N 1 2 399.292 3.566 20 30 GHEDLO CCCOc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1F ZINC000599923558 861910223 /nfs/dbraw/zinc/91/02/23/861910223.db2.gz KCZAVHHGQGAKCP-UHFFFAOYSA-N 1 2 396.466 3.836 20 30 GHEDLO N#CCc1ccc(Oc2ccc(C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)cc2)cc1 ZINC000511211810 848617441 /nfs/dbraw/zinc/61/74/41/848617441.db2.gz ALRBCVNAIMCQMM-HXUWFJFHSA-N 1 2 398.466 3.949 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)Nc2ccc(C#N)c(F)c2)[C@@H](C)C1 ZINC000582994675 848843414 /nfs/dbraw/zinc/84/34/14/848843414.db2.gz MYTBRCDMMWYVEW-INIZCTEOSA-N 1 2 396.466 3.834 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)Nc2ccc(C#N)c(F)c2)[C@@H](C)C1 ZINC000582994675 848843419 /nfs/dbraw/zinc/84/34/19/848843419.db2.gz MYTBRCDMMWYVEW-INIZCTEOSA-N 1 2 396.466 3.834 20 30 GHEDLO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@H](c3ccccc3C)C2)c(OC)c1 ZINC000525637080 849061814 /nfs/dbraw/zinc/06/18/14/849061814.db2.gz XWSYVXKXJIZAJT-RDPSFJRHSA-N 1 2 397.515 3.545 20 30 GHEDLO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@H](c3ccccc3C)C2)c(OC)c1 ZINC000525637080 849061826 /nfs/dbraw/zinc/06/18/26/849061826.db2.gz XWSYVXKXJIZAJT-RDPSFJRHSA-N 1 2 397.515 3.545 20 30 GHEDLO CSc1cc2c(cc1C[NH+]1CCN([C@@H](C#N)c3ccccc3)CC1)OCCO2 ZINC000434979358 849965369 /nfs/dbraw/zinc/96/53/69/849965369.db2.gz SKBREMPTSCVVCG-IBGZPJMESA-N 1 2 395.528 3.562 20 30 GHEDLO Cc1ccc(COc2ccc(CN(CCC#N)CC[NH+]3CCOCC3)cc2)cc1 ZINC000434980313 849966350 /nfs/dbraw/zinc/96/63/50/849966350.db2.gz CTPHDPMKQQJFKR-UHFFFAOYSA-N 1 2 393.531 3.622 20 30 GHEDLO Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000434988935 849975803 /nfs/dbraw/zinc/97/58/03/849975803.db2.gz YDTIVTDPBWBBBP-RUZDIDTESA-N 1 2 399.542 3.931 20 30 GHEDLO N#Cc1ccccc1/C=C/C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000732140086 862104939 /nfs/dbraw/zinc/10/49/39/862104939.db2.gz ZBJDRQJIARLKCV-DOJUMQAQSA-N 1 2 381.426 3.630 20 30 GHEDLO N#Cc1ccccc1/C=C/C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000732140086 862104947 /nfs/dbraw/zinc/10/49/47/862104947.db2.gz ZBJDRQJIARLKCV-DOJUMQAQSA-N 1 2 381.426 3.630 20 30 GHEDLO C=CCOc1ccc(C[NH+]2CCN(Cc3nc(-c4cccs4)no3)CC2)cc1 ZINC000506647864 850283112 /nfs/dbraw/zinc/28/31/12/850283112.db2.gz YBCLNIAMYUTFPI-UHFFFAOYSA-N 1 2 396.516 3.681 20 30 GHEDLO N#Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000518926952 850370115 /nfs/dbraw/zinc/37/01/15/850370115.db2.gz ZEZGPAXXBDECAM-HNNXBMFYSA-N 1 2 389.818 3.730 20 30 GHEDLO N#Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000518926952 850370124 /nfs/dbraw/zinc/37/01/24/850370124.db2.gz ZEZGPAXXBDECAM-HNNXBMFYSA-N 1 2 389.818 3.730 20 30 GHEDLO C=C(C)C(C)(C)C(=O)N1CC[NH+](CCCc2nc(-c3ccc(C)cc3)no2)CC1 ZINC000424586134 850539656 /nfs/dbraw/zinc/53/96/56/850539656.db2.gz RKDWDGOONNWEJX-UHFFFAOYSA-N 1 2 396.535 3.724 20 30 GHEDLO C=CCC1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CCOCC1 ZINC000424672258 850628347 /nfs/dbraw/zinc/62/83/47/850628347.db2.gz YLUUWASPMKNWNL-GOSISDBHSA-N 1 2 394.918 3.933 20 30 GHEDLO C=CCC1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CCOCC1 ZINC000424672258 850628353 /nfs/dbraw/zinc/62/83/53/850628353.db2.gz YLUUWASPMKNWNL-GOSISDBHSA-N 1 2 394.918 3.933 20 30 GHEDLO C=CCC[C@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000487580387 850738990 /nfs/dbraw/zinc/73/89/90/850738990.db2.gz AFSVKBBOJZSTNG-GOTSBHOMSA-N 1 2 378.516 3.754 20 30 GHEDLO C=CCC[C@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000487580387 850738997 /nfs/dbraw/zinc/73/89/97/850738997.db2.gz AFSVKBBOJZSTNG-GOTSBHOMSA-N 1 2 378.516 3.754 20 30 GHEDLO N#Cc1ccc(OCC[NH+]2CCN(C(=O)c3cccc4ccccc43)CC2)cc1 ZINC000027893601 850784320 /nfs/dbraw/zinc/78/43/20/850784320.db2.gz AQFDABSGOZLKGF-UHFFFAOYSA-N 1 2 385.467 3.548 20 30 GHEDLO Cc1ccc([C@H]([NH2+]CC#Cc2cccc(Cl)c2)[C@H](C)S(C)(=O)=O)cc1 ZINC000435910556 850979875 /nfs/dbraw/zinc/97/98/75/850979875.db2.gz XRVVBQYBIDGUDC-OXJNMPFZSA-N 1 2 375.921 3.764 20 30 GHEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000440322893 851064365 /nfs/dbraw/zinc/06/43/65/851064365.db2.gz FTNJLHNIXJTDPC-KXBFYZLASA-N 1 2 396.318 3.645 20 30 GHEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000440322893 851064376 /nfs/dbraw/zinc/06/43/76/851064376.db2.gz FTNJLHNIXJTDPC-KXBFYZLASA-N 1 2 396.318 3.645 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](Cc3ccn(-c4ccc(F)cc4)n3)CC2)cc1 ZINC000481774003 862230731 /nfs/dbraw/zinc/23/07/31/862230731.db2.gz DNVUWCVSPHFIGP-UHFFFAOYSA-N 1 2 376.435 3.926 20 30 GHEDLO CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000505828854 851964697 /nfs/dbraw/zinc/96/46/97/851964697.db2.gz YPHFNCNGTIRSDV-VXKWHMMOSA-N 1 2 391.515 3.566 20 30 GHEDLO CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000505828854 851964706 /nfs/dbraw/zinc/96/47/06/851964706.db2.gz YPHFNCNGTIRSDV-VXKWHMMOSA-N 1 2 391.515 3.566 20 30 GHEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C1 ZINC000455762787 862312087 /nfs/dbraw/zinc/31/20/87/862312087.db2.gz BLNUQSVBJVSRMB-HNNXBMFYSA-N 1 2 381.480 3.881 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CCCc4sccc43)CC2)cc1 ZINC000329818448 862342975 /nfs/dbraw/zinc/34/29/75/862342975.db2.gz FSJFGBQXAWAMFV-IBGZPJMESA-N 1 2 380.517 3.729 20 30 GHEDLO CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH+]2CCN(c3ccccc3C#N)CC2)cc1 ZINC000507298457 852760366 /nfs/dbraw/zinc/76/03/66/852760366.db2.gz TYKDQHUIZYKQBW-OALUTQOASA-N 1 2 390.531 3.509 20 30 GHEDLO O=C1C=COC2(CCN(c3cc[nH+]c4c(Br)ccc(F)c34)CC2)C1 ZINC000896882855 862482776 /nfs/dbraw/zinc/48/27/76/862482776.db2.gz VNOORDYIBQLNHY-UHFFFAOYSA-N 1 2 391.240 3.979 20 30 GHEDLO C#CC[NH+]1CCN(Cn2nc(-c3ccc(C(C)(C)C)cc3)n(CC)c2=S)CC1 ZINC000044756549 853853589 /nfs/dbraw/zinc/85/35/89/853853589.db2.gz MDTFUQSVQMFBOZ-UHFFFAOYSA-N 1 2 397.592 3.607 20 30 GHEDLO N#Cc1cnc2ccc(OC(F)F)cc2c1NCCCCNc1cccc[nH+]1 ZINC000520316443 854079539 /nfs/dbraw/zinc/07/95/39/854079539.db2.gz NNEWSIANCHFNTM-UHFFFAOYSA-N 1 2 383.402 3.829 20 30 GHEDLO C[C@](C#N)(NC(=O)C[NH2+][C@@H](c1ccc(F)cc1)c1ccccc1Cl)C1CC1 ZINC000055873691 854199430 /nfs/dbraw/zinc/19/94/30/854199430.db2.gz WRNYLKMYTXZPQH-LEWJYISDSA-N 1 2 385.870 3.967 20 30 GHEDLO CC(C)(CCC#N)CNC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000588753858 854423823 /nfs/dbraw/zinc/42/38/23/854423823.db2.gz LJOPCBZJILENEN-UHFFFAOYSA-N 1 2 396.457 3.863 20 30 GHEDLO CC(=O)N1CCCC[C@@H]1C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000328819559 854549452 /nfs/dbraw/zinc/54/94/52/854549452.db2.gz PNVCFVDASYYIBV-MSOLQXFVSA-N 1 2 395.906 3.974 20 30 GHEDLO Cc1cc(C)c(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c(=O)[nH]1 ZINC000328844865 854573268 /nfs/dbraw/zinc/57/32/68/854573268.db2.gz QBSJBJLGHXEENP-WBVHZDCISA-N 1 2 377.847 3.947 20 30 GHEDLO Cc1cc(C)c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c(=O)[nH]1 ZINC000328844865 854573273 /nfs/dbraw/zinc/57/32/73/854573273.db2.gz QBSJBJLGHXEENP-WBVHZDCISA-N 1 2 377.847 3.947 20 30 GHEDLO CO[C@]1(C)CCCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC000330111102 862581695 /nfs/dbraw/zinc/58/16/95/862581695.db2.gz QXRBXFKDXPXUJX-HNAYVOBHSA-N 1 2 380.558 3.812 20 30 GHEDLO CO[C@]1(C)CCCN(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC000330111102 862581709 /nfs/dbraw/zinc/58/17/09/862581709.db2.gz QXRBXFKDXPXUJX-HNAYVOBHSA-N 1 2 380.558 3.812 20 30 GHEDLO CC(C)[C@@H](NC(=O)C[N@@H+]1CCOCC12CCCC2)c1ccc2c(c1)OCCO2 ZINC000328911070 854619640 /nfs/dbraw/zinc/61/96/40/854619640.db2.gz GBOTXMGXRXGZPG-OAQYLSRUSA-N 1 2 388.508 3.756 20 30 GHEDLO CC(C)[C@@H](NC(=O)C[N@H+]1CCOCC12CCCC2)c1ccc2c(c1)OCCO2 ZINC000328911070 854619648 /nfs/dbraw/zinc/61/96/48/854619648.db2.gz GBOTXMGXRXGZPG-OAQYLSRUSA-N 1 2 388.508 3.756 20 30 GHEDLO CC(C)N1C(=O)N[C@@H]2C[N@@H+](CC(=O)N[C@H](C)c3ccc4c(c3)CCCC4)CC[C@@H]21 ZINC000328998445 854646273 /nfs/dbraw/zinc/64/62/73/854646273.db2.gz GCEAULHNEQGHGJ-HBGVWJBISA-N 1 2 398.551 3.664 20 30 GHEDLO CC(C)N1C(=O)N[C@@H]2C[N@H+](CC(=O)N[C@H](C)c3ccc4c(c3)CCCC4)CC[C@@H]21 ZINC000328998445 854646283 /nfs/dbraw/zinc/64/62/83/854646283.db2.gz GCEAULHNEQGHGJ-HBGVWJBISA-N 1 2 398.551 3.664 20 30 GHEDLO C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330131280 862601014 /nfs/dbraw/zinc/60/10/14/862601014.db2.gz POOJVOUHIIUBEL-HBUWYVDXSA-N 1 2 386.414 3.952 20 30 GHEDLO C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330131280 862601019 /nfs/dbraw/zinc/60/10/19/862601019.db2.gz POOJVOUHIIUBEL-HBUWYVDXSA-N 1 2 386.414 3.952 20 30 GHEDLO Cc1ncccc1C[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000589258047 854763311 /nfs/dbraw/zinc/76/33/11/854763311.db2.gz SUEVFYLTFPNQRW-IBGZPJMESA-N 1 2 385.309 3.535 20 30 GHEDLO C[C@@H](NC(=O)C[N@H+]1CC=C(c2cccc(Cl)c2)CC1)C(=O)N1CCCCC1 ZINC000330138011 862605972 /nfs/dbraw/zinc/60/59/72/862605972.db2.gz IDOBISPCPAEYEK-MRXNPFEDSA-N 1 2 389.927 3.787 20 30 GHEDLO C[C@@H](NC(=O)C[N@@H+]1CC=C(c2cccc(Cl)c2)CC1)C(=O)N1CCCCC1 ZINC000330138011 862605982 /nfs/dbraw/zinc/60/59/82/862605982.db2.gz IDOBISPCPAEYEK-MRXNPFEDSA-N 1 2 389.927 3.787 20 30 GHEDLO CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3cccc(CC#N)c3)c2C1 ZINC000589589254 855073195 /nfs/dbraw/zinc/07/31/95/855073195.db2.gz HAPZSUCMENATJA-MRXNPFEDSA-N 1 2 383.517 3.914 20 30 GHEDLO CC(C)[C@@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3cccc(CC#N)c3)c2C1 ZINC000589589254 855073207 /nfs/dbraw/zinc/07/32/07/855073207.db2.gz HAPZSUCMENATJA-MRXNPFEDSA-N 1 2 383.517 3.914 20 30 GHEDLO Cc1[nH]c2ccccc2c1C1CCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330197748 862654330 /nfs/dbraw/zinc/65/43/30/862654330.db2.gz SFKGCUILLITPCF-KRWDZBQOSA-N 1 2 377.492 3.781 20 30 GHEDLO C[C@H]1CCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)C[C@H]1n1cc[nH+]c1 ZINC000130130286 855245680 /nfs/dbraw/zinc/24/56/80/855245680.db2.gz RAYCGCOJNGKILA-PGRDOPGGSA-N 1 2 385.471 3.793 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130874609 855335191 /nfs/dbraw/zinc/33/51/91/855335191.db2.gz HNORWKYVHQPZJG-UHFFFAOYSA-N 1 2 384.823 3.723 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130874609 855335196 /nfs/dbraw/zinc/33/51/96/855335196.db2.gz HNORWKYVHQPZJG-UHFFFAOYSA-N 1 2 384.823 3.723 20 30 GHEDLO CC(C)C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1cccc(C#N)n1 ZINC000590464648 855412528 /nfs/dbraw/zinc/41/25/28/855412528.db2.gz NAAABHDWMPGUJB-FQEVSTJZSA-N 1 2 396.922 3.979 20 30 GHEDLO CC(C)C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1cccc(C#N)n1 ZINC000590464648 855412530 /nfs/dbraw/zinc/41/25/30/855412530.db2.gz NAAABHDWMPGUJB-FQEVSTJZSA-N 1 2 396.922 3.979 20 30 GHEDLO CC1(C)[C@H](NC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)[C@@H]2CCO[C@@H]21 ZINC000330263553 862704358 /nfs/dbraw/zinc/70/43/58/862704358.db2.gz WRKWJMXEAOEOQJ-OTWHNJEPSA-N 1 2 380.492 3.835 20 30 GHEDLO Cc1nc(NCc2cccc(C(=O)N(CC(C)C)c3ccc(C#N)cc3)c2)cc[nH+]1 ZINC000543552281 862707222 /nfs/dbraw/zinc/70/72/22/862707222.db2.gz SWIRKTDCOGXQHX-UHFFFAOYSA-N 1 2 399.498 3.994 20 30 GHEDLO C[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccc(Br)s1 ZINC000058017315 855961433 /nfs/dbraw/zinc/96/14/33/855961433.db2.gz MZTJPLVMGQWEEB-UHFFFAOYSA-N 1 2 392.322 3.889 20 30 GHEDLO C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccc(Br)s1 ZINC000058017315 855961442 /nfs/dbraw/zinc/96/14/42/855961442.db2.gz MZTJPLVMGQWEEB-UHFFFAOYSA-N 1 2 392.322 3.889 20 30 GHEDLO CC[C@H]1C[N@H+](CCNC(=O)c2ccc(Sc3ccccc3C#N)cc2)CCO1 ZINC000427719168 856632172 /nfs/dbraw/zinc/63/21/72/856632172.db2.gz AXGUWHXKKNWFDU-IBGZPJMESA-N 1 2 395.528 3.550 20 30 GHEDLO CC[C@H]1C[N@@H+](CCNC(=O)c2ccc(Sc3ccccc3C#N)cc2)CCO1 ZINC000427719168 856632180 /nfs/dbraw/zinc/63/21/80/856632180.db2.gz AXGUWHXKKNWFDU-IBGZPJMESA-N 1 2 395.528 3.550 20 30 GHEDLO CCC[C@@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3cnc(C)c(C#N)c3)c2C1 ZINC000427764220 856707298 /nfs/dbraw/zinc/70/72/98/856707298.db2.gz LGKAZHAJWVTVFJ-CQSZACIVSA-N 1 2 384.505 3.567 20 30 GHEDLO CCC[C@@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3cnc(C)c(C#N)c3)c2C1 ZINC000427764220 856707302 /nfs/dbraw/zinc/70/73/02/856707302.db2.gz LGKAZHAJWVTVFJ-CQSZACIVSA-N 1 2 384.505 3.567 20 30 GHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](C)[C@H](C)c2ccccn2)c1C#N ZINC000091704592 856717304 /nfs/dbraw/zinc/71/73/04/856717304.db2.gz BRWRVAIFKKLPGM-GOSISDBHSA-N 1 2 387.487 3.992 20 30 GHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](C)[C@H](C)c2ccccn2)c1C#N ZINC000091704592 856717313 /nfs/dbraw/zinc/71/73/13/856717313.db2.gz BRWRVAIFKKLPGM-GOSISDBHSA-N 1 2 387.487 3.992 20 30 GHEDLO N#Cc1ccc(S(=O)(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)cc1F ZINC000427792499 856719486 /nfs/dbraw/zinc/71/94/86/856719486.db2.gz JHBBHJNEBZPXQX-UHFFFAOYSA-N 1 2 396.447 3.698 20 30 GHEDLO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCO[C@@H](COCC3CC3)C2)c1 ZINC000485732901 857006960 /nfs/dbraw/zinc/00/69/60/857006960.db2.gz ZBATVILPYIAVMG-XMMPIXPASA-N 1 2 392.499 3.765 20 30 GHEDLO N#Cc1ccccc1COc1cccc(C[N@H+]2CCO[C@@H](COCC3CC3)C2)c1 ZINC000485732901 857006971 /nfs/dbraw/zinc/00/69/71/857006971.db2.gz ZBATVILPYIAVMG-XMMPIXPASA-N 1 2 392.499 3.765 20 30 GHEDLO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000508243226 857093147 /nfs/dbraw/zinc/09/31/47/857093147.db2.gz PDDOQGOORDWYBY-OAHLLOKOSA-N 1 2 391.431 3.766 20 30 GHEDLO Cc1c2cc(C#N)ccc2sc1C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000428110805 857125533 /nfs/dbraw/zinc/12/55/33/857125533.db2.gz IREUCNKLMBFASA-OKILXGFUSA-N 1 2 385.533 3.699 20 30 GHEDLO Cc1c2cc(C#N)ccc2sc1C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000428110805 857125535 /nfs/dbraw/zinc/12/55/35/857125535.db2.gz IREUCNKLMBFASA-OKILXGFUSA-N 1 2 385.533 3.699 20 30 GHEDLO N#Cc1ccc(C(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)o1 ZINC000428165430 857148783 /nfs/dbraw/zinc/14/87/83/857148783.db2.gz NZJDCJRNOMSHAU-SFHVURJKSA-N 1 2 377.469 3.742 20 30 GHEDLO N#Cc1ccc(C(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)o1 ZINC000428165430 857148786 /nfs/dbraw/zinc/14/87/86/857148786.db2.gz NZJDCJRNOMSHAU-SFHVURJKSA-N 1 2 377.469 3.742 20 30 GHEDLO N#Cc1ccc(N2CC[C@@H]([NH+]3CCC(c4c(F)cccc4F)CC3)C2=O)cc1 ZINC000485872151 857173335 /nfs/dbraw/zinc/17/33/35/857173335.db2.gz RTIROSHGUBREPS-HXUWFJFHSA-N 1 2 381.426 3.821 20 30 GHEDLO C[C@@H]1CCc2ccccc2N1CCC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000330335847 862981403 /nfs/dbraw/zinc/98/14/03/862981403.db2.gz RXIAZMMDOGYSPV-HGHGUNKESA-N 1 2 382.508 3.828 20 30 GHEDLO COc1cc(C[N@@H+]2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)ccc1C#N ZINC000442884781 858206359 /nfs/dbraw/zinc/20/63/59/858206359.db2.gz KYMWYDSXSRFXDG-LJQANCHMSA-N 1 2 389.455 3.707 20 30 GHEDLO COc1cc(C[N@H+]2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)ccc1C#N ZINC000442884781 858206366 /nfs/dbraw/zinc/20/63/66/858206366.db2.gz KYMWYDSXSRFXDG-LJQANCHMSA-N 1 2 389.455 3.707 20 30 GHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1 ZINC000595844472 858692429 /nfs/dbraw/zinc/69/24/29/858692429.db2.gz FTFFOLUCIRKRMX-MCIONIFRSA-N 1 2 387.505 3.714 20 30 GHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1 ZINC000595844472 858692433 /nfs/dbraw/zinc/69/24/33/858692433.db2.gz FTFFOLUCIRKRMX-MCIONIFRSA-N 1 2 387.505 3.714 20 30 GHEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)c2cc(C#N)nc(CC)n2)cc1 ZINC000596167559 858811148 /nfs/dbraw/zinc/81/11/48/858811148.db2.gz KQLJGZNUIUPTDD-UHFFFAOYSA-N 1 2 390.491 3.603 20 30 GHEDLO C[N@H+](Cc1ccccc1OC(F)(F)F)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000025254748 859206275 /nfs/dbraw/zinc/20/62/75/859206275.db2.gz ZVVFEQGLLUMTPT-KRWDZBQOSA-N 1 2 389.377 3.694 20 30 GHEDLO C[N@@H+](Cc1ccccc1OC(F)(F)F)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000025254748 859206284 /nfs/dbraw/zinc/20/62/84/859206284.db2.gz ZVVFEQGLLUMTPT-KRWDZBQOSA-N 1 2 389.377 3.694 20 30 GHEDLO CCCNc1ccc(CN2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])cc1 ZINC000765980659 859318885 /nfs/dbraw/zinc/31/88/85/859318885.db2.gz CFIBMAMKZYJXLN-UHFFFAOYSA-N 1 2 389.503 3.668 20 30 GHEDLO Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000597205316 859361489 /nfs/dbraw/zinc/36/14/89/859361489.db2.gz IQFTYBUUZTZRKG-LJQANCHMSA-N 1 2 388.446 3.998 20 30 GHEDLO COc1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000597230869 859364666 /nfs/dbraw/zinc/36/46/66/859364666.db2.gz UNCXMGDHZMDFBR-OAQYLSRUSA-N 1 2 381.432 3.918 20 30 GHEDLO COc1ccc(C[N@H+]2CC[C@](C)(C#N)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000597230869 859364673 /nfs/dbraw/zinc/36/46/73/859364673.db2.gz UNCXMGDHZMDFBR-OAQYLSRUSA-N 1 2 381.432 3.918 20 30 GHEDLO CC(C[NH+]1Cc2ccccc2C1)N=Nc1nc(-c2ccccn2)nc2c1CCC2 ZINC000792636508 881419807 /nfs/dbraw/zinc/41/98/07/881419807.db2.gz ZMQDWLIYGDGGLX-UHFFFAOYSA-N 1 2 384.487 3.831 20 30 GHEDLO C[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)c1nc(-c2ccc(Br)cc2)no1 ZINC000483658709 859516663 /nfs/dbraw/zinc/51/66/63/859516663.db2.gz VASXAFISSILFPM-LLVKDONJSA-N 1 2 386.253 3.560 20 30 GHEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC000611124990 859618723 /nfs/dbraw/zinc/61/87/23/859618723.db2.gz SDXLMOLBLGXHHM-INIZCTEOSA-N 1 2 388.431 3.500 20 30 GHEDLO C#CCOc1cc(F)ccc1NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000765192186 859822934 /nfs/dbraw/zinc/82/29/34/859822934.db2.gz OBTVLBGKGMNHQW-OAHLLOKOSA-N 1 2 387.480 3.810 20 30 GHEDLO COC(=O)c1cccc(C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)c1C#N ZINC000543470540 859832394 /nfs/dbraw/zinc/83/23/94/859832394.db2.gz UXWFVYNKJCSTDT-AWEZNQCLSA-N 1 2 392.434 3.829 20 30 GHEDLO COc1ccc(C[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])[C@H](C)CCCO)cc1 ZINC000602966772 860398545 /nfs/dbraw/zinc/39/85/45/860398545.db2.gz QUEBBFCSXLPGJD-MRXNPFEDSA-N 1 2 383.448 3.638 20 30 GHEDLO COc1ccc(C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])[C@H](C)CCCO)cc1 ZINC000602966772 860398547 /nfs/dbraw/zinc/39/85/47/860398547.db2.gz QUEBBFCSXLPGJD-MRXNPFEDSA-N 1 2 383.448 3.638 20 30 GHEDLO CC1(C)C[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H](C(F)(F)F)O1 ZINC000428933404 860422402 /nfs/dbraw/zinc/42/24/02/860422402.db2.gz UPNNAPSSCOWBCJ-AWEZNQCLSA-N 1 2 389.805 3.582 20 30 GHEDLO CC1(C)C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H](C(F)(F)F)O1 ZINC000428933404 860422412 /nfs/dbraw/zinc/42/24/12/860422412.db2.gz UPNNAPSSCOWBCJ-AWEZNQCLSA-N 1 2 389.805 3.582 20 30 GHEDLO CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000603160567 860517036 /nfs/dbraw/zinc/51/70/36/860517036.db2.gz ZDWOYCYECSFSRQ-YADHBBJMSA-N 1 2 399.498 3.541 20 30 GHEDLO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)Cc1ccccn1 ZINC000125388898 860653715 /nfs/dbraw/zinc/65/37/15/860653715.db2.gz JYZAGLUKADOFFI-UHFFFAOYSA-N 1 2 387.487 3.821 20 30 GHEDLO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)Cc1ccccn1 ZINC000125388898 860653716 /nfs/dbraw/zinc/65/37/16/860653716.db2.gz JYZAGLUKADOFFI-UHFFFAOYSA-N 1 2 387.487 3.821 20 30 GHEDLO C=C(C)Cn1c(-c2cc(C)cs2)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000624996782 860683546 /nfs/dbraw/zinc/68/35/46/860683546.db2.gz LZRRVLWRRMNHED-UHFFFAOYSA-N 1 2 394.548 3.608 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2cc(Br)ccc2C#N)CCC[C@@]1(O)C(F)(F)F ZINC001141894962 860781171 /nfs/dbraw/zinc/78/11/71/860781171.db2.gz WEFFUWQPIOIGIH-ABAIWWIYSA-N 1 2 391.231 3.846 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2cc(Br)ccc2C#N)CCC[C@@]1(O)C(F)(F)F ZINC001141894962 860781180 /nfs/dbraw/zinc/78/11/80/860781180.db2.gz WEFFUWQPIOIGIH-ABAIWWIYSA-N 1 2 391.231 3.846 20 30 GHEDLO C=CCOc1c(Cl)cc(C[NH2+]Cc2nnc3n2CCCCC3)cc1OC ZINC000623339851 860899824 /nfs/dbraw/zinc/89/98/24/860899824.db2.gz MQILJPCDNNORET-UHFFFAOYSA-N 1 2 376.888 3.521 20 30 GHEDLO Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000329008636 860944332 /nfs/dbraw/zinc/94/43/32/860944332.db2.gz YXKYOECYGNIBCS-OWOPXTPDSA-N 1 2 376.451 3.821 20 30 GHEDLO Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000329008636 860944341 /nfs/dbraw/zinc/94/43/41/860944341.db2.gz YXKYOECYGNIBCS-OWOPXTPDSA-N 1 2 376.451 3.821 20 30 GHEDLO CC(=O)N1CC[N@H+](CC(=O)N[C@H]2CCCc3ccccc32)CC12CCCCC2 ZINC000329060388 860983328 /nfs/dbraw/zinc/98/33/28/860983328.db2.gz UOTVNBOOQLVADH-NRFANRHFSA-N 1 2 383.536 3.888 20 30 GHEDLO CC(=O)N1CC[N@@H+](CC(=O)N[C@H]2CCCc3ccccc32)CC12CCCCC2 ZINC000329060388 860983336 /nfs/dbraw/zinc/98/33/36/860983336.db2.gz UOTVNBOOQLVADH-NRFANRHFSA-N 1 2 383.536 3.888 20 30 GHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccc(C)cc2OC)c(F)c1 ZINC000730280121 860998560 /nfs/dbraw/zinc/99/85/60/860998560.db2.gz KJSAIZBSBOZFTB-SFHVURJKSA-N 1 2 382.435 3.971 20 30 GHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccc(C)cc2OC)c(F)c1 ZINC000730280121 860998565 /nfs/dbraw/zinc/99/85/65/860998565.db2.gz KJSAIZBSBOZFTB-SFHVURJKSA-N 1 2 382.435 3.971 20 30 GHEDLO COc1ccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)cc1OC1CC1 ZINC000600107785 861002700 /nfs/dbraw/zinc/00/27/00/861002700.db2.gz XJURLKIKBYRDNM-NRFANRHFSA-N 1 2 377.488 3.619 20 30 GHEDLO Cc1ccc(C[NH+]2CCN([C@H](C)c3nc(-c4cccs4)no3)CC2)cc1C#N ZINC000599293545 861034803 /nfs/dbraw/zinc/03/48/03/861034803.db2.gz YNGOAYRLMYPSQB-MRXNPFEDSA-N 1 2 393.516 3.857 20 30 GHEDLO CCO[C@H](C)c1nc(CN2CC[NH+](Cc3ccc(C)c(C#N)c3)CC2)cs1 ZINC000599300609 861042428 /nfs/dbraw/zinc/04/24/28/861042428.db2.gz UFDSKMRNSDRTSM-QGZVFWFLSA-N 1 2 384.549 3.739 20 30 GHEDLO CCC[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000603747703 861117242 /nfs/dbraw/zinc/11/72/42/861117242.db2.gz XVZWJLPIXFHIDK-QFIPXVFZSA-N 1 2 376.504 3.927 20 30 GHEDLO N#CC1CCC(CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CC1 ZINC000281601238 863263038 /nfs/dbraw/zinc/26/30/38/863263038.db2.gz AIKXOWKEURYJBR-QGWLNKKWSA-N 1 2 377.492 3.741 20 30 GHEDLO N#Cc1ccccc1COc1cccc(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)c1 ZINC000475120739 864226650 /nfs/dbraw/zinc/22/66/50/864226650.db2.gz PZJQPOORNLANLG-XZOQPEGZSA-N 1 2 390.483 3.707 20 30 GHEDLO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)c1 ZINC000475120739 864226666 /nfs/dbraw/zinc/22/66/66/864226666.db2.gz PZJQPOORNLANLG-XZOQPEGZSA-N 1 2 390.483 3.707 20 30 GHEDLO Cc1[nH+]cc(CN=Nc2cncc(Cl)n2)n1-c1ccc(Br)cc1 ZINC000734978884 864573929 /nfs/dbraw/zinc/57/39/29/864573929.db2.gz WUGIAGOYBLLBPS-UHFFFAOYSA-N 1 2 391.660 3.833 20 30 GHEDLO C[N@H+](Cc1cc(Cl)ccc1OCC#N)[C@H]1CCN(c2ccccc2F)C1=O ZINC000735310925 864735810 /nfs/dbraw/zinc/73/58/10/864735810.db2.gz HALIFXDQGHTLSA-SFHVURJKSA-N 1 2 387.842 3.619 20 30 GHEDLO C[N@@H+](Cc1cc(Cl)ccc1OCC#N)[C@H]1CCN(c2ccccc2F)C1=O ZINC000735310925 864735816 /nfs/dbraw/zinc/73/58/16/864735816.db2.gz HALIFXDQGHTLSA-SFHVURJKSA-N 1 2 387.842 3.619 20 30 GHEDLO CC(C)N(C)c1ccc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)cn1 ZINC000475336407 864809080 /nfs/dbraw/zinc/80/90/80/864809080.db2.gz OHCXGJSBDICUME-NRFANRHFSA-N 1 2 397.954 3.962 20 30 GHEDLO CC(=NNC(=S)Nc1ccc(C)cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735610662 864880114 /nfs/dbraw/zinc/88/01/14/864880114.db2.gz RQXYEAIRPKOLEW-HXUWFJFHSA-N 1 2 382.533 3.558 20 30 GHEDLO CC(=NNC(=S)Nc1ccc(C)cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735610662 864880116 /nfs/dbraw/zinc/88/01/16/864880116.db2.gz RQXYEAIRPKOLEW-HXUWFJFHSA-N 1 2 382.533 3.558 20 30 GHEDLO COC[C@@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1)c1ccc(C)o1 ZINC000184740047 864893745 /nfs/dbraw/zinc/89/37/45/864893745.db2.gz LCJHDMHTVGIXQP-UYAOXDASSA-N 1 2 383.492 3.817 20 30 GHEDLO CCc1ccc([C@@H](COC)[NH2+][C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)o1 ZINC000184782219 864924488 /nfs/dbraw/zinc/92/44/88/864924488.db2.gz MCZXCVJNSVAWLR-MLGOLLRUSA-N 1 2 387.505 3.568 20 30 GHEDLO CC[C@@H]([NH2+][C@H](C)C(=O)NC1(C#N)CCCCC1)c1nc(C(F)(F)F)cs1 ZINC000173221246 865777575 /nfs/dbraw/zinc/77/75/75/865777575.db2.gz DLZVMYGQPNQPNR-VXGBXAGGSA-N 1 2 388.459 3.934 20 30 GHEDLO C[C@@H](C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12)[NH+]1CCCCCC1 ZINC000741032128 866170729 /nfs/dbraw/zinc/17/07/29/866170729.db2.gz AOBKBHTZPHRQPA-KRWDZBQOSA-N 1 2 381.476 3.545 20 30 GHEDLO C=CCC1(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)CCCCC1 ZINC000456364257 866542721 /nfs/dbraw/zinc/54/27/21/866542721.db2.gz JGPNNWQMGNHLSG-UHFFFAOYSA-N 1 2 380.492 3.921 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444688634 867067517 /nfs/dbraw/zinc/06/75/17/867067517.db2.gz COKJRQHMRIRIKI-HNNXBMFYSA-N 1 2 387.430 3.741 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444688634 867067529 /nfs/dbraw/zinc/06/75/29/867067529.db2.gz COKJRQHMRIRIKI-HNNXBMFYSA-N 1 2 387.430 3.741 20 30 GHEDLO COc1ccc(C[NH+]2CCN(Cc3ccsc3)CC2)cc1OCCCC#N ZINC000535068226 868092290 /nfs/dbraw/zinc/09/22/90/868092290.db2.gz VLVHCECYFJDOCL-UHFFFAOYSA-N 1 2 385.533 3.757 20 30 GHEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c1C#N ZINC000535207848 868349251 /nfs/dbraw/zinc/34/92/51/868349251.db2.gz SEPWEIHRLFCEFI-QGZVFWFLSA-N 1 2 380.419 3.579 20 30 GHEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c1C#N ZINC000535207848 868349263 /nfs/dbraw/zinc/34/92/63/868349263.db2.gz SEPWEIHRLFCEFI-QGZVFWFLSA-N 1 2 380.419 3.579 20 30 GHEDLO C=CCOc1ccc(CNC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000553901695 868416657 /nfs/dbraw/zinc/41/66/57/868416657.db2.gz OLMJADTVORCSOT-LJQANCHMSA-N 1 2 394.519 3.873 20 30 GHEDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)(C)c1ccccc1 ZINC000524426130 869066128 /nfs/dbraw/zinc/06/61/28/869066128.db2.gz QLRDNODAIYKUHE-IBGZPJMESA-N 1 2 390.531 3.752 20 30 GHEDLO C[C@@H](C(=O)N1CCC2(C[C@H]2[N@H+](C)Cc2nccs2)CC1)c1cccc(C#N)c1 ZINC000462559573 869652147 /nfs/dbraw/zinc/65/21/47/869652147.db2.gz YMISZHXDAZCJJW-VQIMIIECSA-N 1 2 394.544 3.631 20 30 GHEDLO C[C@@H](C(=O)N1CCC2(C[C@H]2[N@@H+](C)Cc2nccs2)CC1)c1cccc(C#N)c1 ZINC000462559573 869652149 /nfs/dbraw/zinc/65/21/49/869652149.db2.gz YMISZHXDAZCJJW-VQIMIIECSA-N 1 2 394.544 3.631 20 30 GHEDLO C[C@@H](C(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)c1cccc(C#N)c1 ZINC000462552308 869665160 /nfs/dbraw/zinc/66/51/60/869665160.db2.gz ODJVHVRROIAXEY-MNEFBYGVSA-N 1 2 385.508 3.794 20 30 GHEDLO C[C@@H](C(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)c1cccc(C#N)c1 ZINC000462552308 869665162 /nfs/dbraw/zinc/66/51/62/869665162.db2.gz ODJVHVRROIAXEY-MNEFBYGVSA-N 1 2 385.508 3.794 20 30 GHEDLO CC(C)[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)N[C@](C)(C2CCCCC2)C1=O ZINC000746032611 869960008 /nfs/dbraw/zinc/96/00/08/869960008.db2.gz BBHWLSAWJPUMCI-JOCHJYFZSA-N 1 2 382.508 3.617 20 30 GHEDLO CC(C)[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)N[C@](C)(C2CCCCC2)C1=O ZINC000746032611 869960016 /nfs/dbraw/zinc/96/00/16/869960016.db2.gz BBHWLSAWJPUMCI-JOCHJYFZSA-N 1 2 382.508 3.617 20 30 GHEDLO CCOC(=O)[C@H](c1ccc(Cl)cc1)[N@H+](CC)C[C@@H](O)CC1(C#N)CCC1 ZINC001192525135 870486429 /nfs/dbraw/zinc/48/64/29/870486429.db2.gz IIALQUBXIITOMR-ROUUACIJSA-N 1 2 378.900 3.711 20 30 GHEDLO CCOC(=O)[C@H](c1ccc(Cl)cc1)[N@@H+](CC)C[C@@H](O)CC1(C#N)CCC1 ZINC001192525135 870486439 /nfs/dbraw/zinc/48/64/39/870486439.db2.gz IIALQUBXIITOMR-ROUUACIJSA-N 1 2 378.900 3.711 20 30 GHEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000538783847 870644859 /nfs/dbraw/zinc/64/48/59/870644859.db2.gz LKYTZCPGDUKYPX-INIZCTEOSA-N 1 2 391.450 3.626 20 30 GHEDLO N#Cc1cccc([C@H](O)C[N@@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC001169216356 871311302 /nfs/dbraw/zinc/31/13/02/871311302.db2.gz HVUQKJUERNOGSI-MOPGFXCFSA-N 1 2 376.378 3.684 20 30 GHEDLO N#Cc1cccc([C@H](O)C[N@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c1 ZINC001169216356 871311325 /nfs/dbraw/zinc/31/13/25/871311325.db2.gz HVUQKJUERNOGSI-MOPGFXCFSA-N 1 2 376.378 3.684 20 30 GHEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3csc(CCc4ccccc4)n3)C2)nc1 ZINC000428810848 871553433 /nfs/dbraw/zinc/55/34/33/871553433.db2.gz YTXCMRUZTPNHRT-HXUWFJFHSA-N 1 2 390.512 3.848 20 30 GHEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3csc(CCc4ccccc4)n3)C2)nc1 ZINC000428810848 871553445 /nfs/dbraw/zinc/55/34/45/871553445.db2.gz YTXCMRUZTPNHRT-HXUWFJFHSA-N 1 2 390.512 3.848 20 30 GHEDLO C=CCOc1cc(OC)ccc1C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000463673216 872306945 /nfs/dbraw/zinc/30/69/45/872306945.db2.gz PAMNOSLJPQLXKQ-MRXNPFEDSA-N 1 2 386.517 3.841 20 30 GHEDLO C=CCOc1cc(OC)ccc1C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000463711352 872379422 /nfs/dbraw/zinc/37/94/22/872379422.db2.gz ZXOLXUUIYDTLJI-KRWDZBQOSA-N 1 2 396.487 3.906 20 30 GHEDLO N#CCC1CC[NH+](CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)CC1 ZINC000541024093 872744319 /nfs/dbraw/zinc/74/43/19/872744319.db2.gz KESAKROTVHSPLX-UHFFFAOYSA-N 1 2 376.432 3.652 20 30 GHEDLO CCn1cc(C2CC[NH+]([C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)CC2)cn1 ZINC000195501607 882650090 /nfs/dbraw/zinc/65/00/90/882650090.db2.gz JUNSZJVFBRQHSR-CQSZACIVSA-N 1 2 397.548 3.531 20 30 GHEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)C2 ZINC000527248348 872868901 /nfs/dbraw/zinc/86/89/01/872868901.db2.gz XEJDDBZZZYVQFH-OPYAIIAOSA-N 1 2 376.504 3.936 20 30 GHEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)CC2 ZINC000527248348 872868913 /nfs/dbraw/zinc/86/89/13/872868913.db2.gz XEJDDBZZZYVQFH-OPYAIIAOSA-N 1 2 376.504 3.936 20 30 GHEDLO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000619734657 872932335 /nfs/dbraw/zinc/93/23/35/872932335.db2.gz IFGBTFSNAHCZND-NQIIRXRSSA-N 1 2 389.503 3.668 20 30 GHEDLO C[C@@H](CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1c[nH]c2ccccc21 ZINC000491307654 872944297 /nfs/dbraw/zinc/94/42/97/872944297.db2.gz GITGGKSRWOPKCT-SFHVURJKSA-N 1 2 386.499 3.878 20 30 GHEDLO CCC[N@H+](CC(=O)NC1(C#N)CCC1)[C@@H](C)c1ccccc1Br ZINC000527377201 873115000 /nfs/dbraw/zinc/11/50/00/873115000.db2.gz LHYONBDFYJGENA-AWEZNQCLSA-N 1 2 378.314 3.785 20 30 GHEDLO CCC[N@@H+](CC(=O)NC1(C#N)CCC1)[C@@H](C)c1ccccc1Br ZINC000527377201 873115006 /nfs/dbraw/zinc/11/50/06/873115006.db2.gz LHYONBDFYJGENA-AWEZNQCLSA-N 1 2 378.314 3.785 20 30 GHEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000921209825 882692681 /nfs/dbraw/zinc/69/26/81/882692681.db2.gz RNJMBIVIIKNVOC-KRWDZBQOSA-N 1 2 385.533 3.600 20 30 GHEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000921209825 882692688 /nfs/dbraw/zinc/69/26/88/882692688.db2.gz RNJMBIVIIKNVOC-KRWDZBQOSA-N 1 2 385.533 3.600 20 30 GHEDLO C#CCCOc1ccc(C[NH+]2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000768236742 873185993 /nfs/dbraw/zinc/18/59/93/873185993.db2.gz JOOIGEIQUFDIDG-UHFFFAOYSA-N 1 2 382.891 3.700 20 30 GHEDLO C[C@@H](C#N)Oc1ccc(C[NH+]2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)cc1 ZINC000153127950 882745520 /nfs/dbraw/zinc/74/55/20/882745520.db2.gz NAWMDRGNMTVEQM-KRWDZBQOSA-N 1 2 397.906 3.518 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(OC)c(O[C@H](C)CC)c2)c1 ZINC000768915838 873685106 /nfs/dbraw/zinc/68/51/06/873685106.db2.gz PGLOIDKVTGBVPB-QGZVFWFLSA-N 1 2 380.488 3.924 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(OC)c(O[C@H](C)CC)c2)c1 ZINC000768915838 873685109 /nfs/dbraw/zinc/68/51/09/873685109.db2.gz PGLOIDKVTGBVPB-QGZVFWFLSA-N 1 2 380.488 3.924 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2csc(CC)n2)cc1 ZINC000541645277 874040343 /nfs/dbraw/zinc/04/03/43/874040343.db2.gz YDAYEDHQQYWXKT-HNNXBMFYSA-N 1 2 386.521 3.702 20 30 GHEDLO C#C[C@H]([NH2+]Cc1csc(-c2ccc(Br)cc2)n1)[C@@H]1CCCO1 ZINC000775796376 874109656 /nfs/dbraw/zinc/10/96/56/874109656.db2.gz XNUFFUXRTOVLII-HOTGVXAUSA-N 1 2 377.307 3.843 20 30 GHEDLO C[NH+](C)c1ccc(N2CCC(N=Nc3ccnc(Br)c3)CC2)cc1 ZINC000769804738 874298154 /nfs/dbraw/zinc/29/81/54/874298154.db2.gz VBAWRXATQOIAAU-UHFFFAOYSA-N 1 2 388.313 3.978 20 30 GHEDLO CC(C)(C)n1ncc2c1nc(N=NC1CCCC[C@@H]1[NH+]1CCCCCC1)[nH]c2=O ZINC000769811678 874301664 /nfs/dbraw/zinc/30/16/64/874301664.db2.gz CASVHYQPQCBTCD-KRWDZBQOSA-N 1 2 399.543 3.873 20 30 GHEDLO C=CC[NH+]1CCN(C(=O)c2cccc(OCc3nc(C(C)(C)C)cs3)c2)CC1 ZINC001198307503 874368208 /nfs/dbraw/zinc/36/82/08/874368208.db2.gz MVCAZZAWOIWNJF-UHFFFAOYSA-N 1 2 399.560 3.963 20 30 GHEDLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2ccc(C)c(C)c2)nc1 ZINC001198597131 874506962 /nfs/dbraw/zinc/50/69/62/874506962.db2.gz QVFVQYULYAKUEX-QFIPXVFZSA-N 1 2 392.503 3.791 20 30 GHEDLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2ccc(C)c(C)c2)nc1 ZINC001198597131 874506970 /nfs/dbraw/zinc/50/69/70/874506970.db2.gz QVFVQYULYAKUEX-QFIPXVFZSA-N 1 2 392.503 3.791 20 30 GHEDLO C=CC1CCN(C(=O)N[C@H]2CC[N@@H+](CC)[C@@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC000542048229 874851571 /nfs/dbraw/zinc/85/15/71/874851571.db2.gz VTKRJYSEFROQAT-PKOBYXMFSA-N 1 2 381.442 3.847 20 30 GHEDLO C=CC1CCN(C(=O)N[C@H]2CC[N@H+](CC)[C@@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC000542048229 874851585 /nfs/dbraw/zinc/85/15/85/874851585.db2.gz VTKRJYSEFROQAT-PKOBYXMFSA-N 1 2 381.442 3.847 20 30 GHEDLO FC(F)Sc1ccc(NC(=S)NN=Cc2cccc3[nH+]ccn32)cc1 ZINC000771090260 875035189 /nfs/dbraw/zinc/03/51/89/875035189.db2.gz UKDZPFBYBCWHMN-UHFFFAOYSA-N 1 2 377.445 3.970 20 30 GHEDLO C=CCn1c(=S)n(C[N@@H+]2CCC[C@H]2c2ccccc2)nc1-c1cnccn1 ZINC000151660862 875746535 /nfs/dbraw/zinc/74/65/35/875746535.db2.gz OBPXUSHJHKIAAD-SFHVURJKSA-N 1 2 378.505 3.852 20 30 GHEDLO C=CCn1c(=S)n(C[N@H+]2CCC[C@H]2c2ccccc2)nc1-c1cnccn1 ZINC000151660862 875746540 /nfs/dbraw/zinc/74/65/40/875746540.db2.gz OBPXUSHJHKIAAD-SFHVURJKSA-N 1 2 378.505 3.852 20 30 GHEDLO N#Cc1cc(Br)cnc1NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000450324827 876287690 /nfs/dbraw/zinc/28/76/90/876287690.db2.gz RGDGUNWVBDKEQY-UHFFFAOYSA-N 1 2 386.297 3.525 20 30 GHEDLO C=CCCS(=O)(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC000551554441 877423872 /nfs/dbraw/zinc/42/38/72/877423872.db2.gz YZCOLPFRJVTCTN-HNNXBMFYSA-N 1 2 398.878 3.761 20 30 GHEDLO C=CCCS(=O)(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC000551554441 877423878 /nfs/dbraw/zinc/42/38/78/877423878.db2.gz YZCOLPFRJVTCTN-HNNXBMFYSA-N 1 2 398.878 3.761 20 30 GHEDLO CC(C)(C)[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)Cc1ccsc1 ZINC000852311599 878228890 /nfs/dbraw/zinc/22/88/90/878228890.db2.gz KBZDLAQJERIXEW-MRXNPFEDSA-N 1 2 394.500 3.874 20 30 GHEDLO CC(C)(C)[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)Cc1ccsc1 ZINC000852311599 878228908 /nfs/dbraw/zinc/22/89/08/878228908.db2.gz KBZDLAQJERIXEW-MRXNPFEDSA-N 1 2 394.500 3.874 20 30 GHEDLO Cc1cc(C(=O)C[N@@H+]2CCC[C@H](CC#N)C2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000852318827 878234829 /nfs/dbraw/zinc/23/48/29/878234829.db2.gz CEEHMHGRYZBPHC-GOSISDBHSA-N 1 2 393.487 3.690 20 30 GHEDLO Cc1cc(C(=O)C[N@H+]2CCC[C@H](CC#N)C2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000852318827 878234845 /nfs/dbraw/zinc/23/48/45/878234845.db2.gz CEEHMHGRYZBPHC-GOSISDBHSA-N 1 2 393.487 3.690 20 30 GHEDLO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000068322365 878332365 /nfs/dbraw/zinc/33/23/65/878332365.db2.gz VUGABIZYAWLVCA-AWEZNQCLSA-N 1 2 395.413 3.654 20 30 GHEDLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000068322365 878332381 /nfs/dbraw/zinc/33/23/81/878332381.db2.gz VUGABIZYAWLVCA-AWEZNQCLSA-N 1 2 395.413 3.654 20 30 GHEDLO N#Cc1cccc(OCc2ccoc2C(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000068421619 878488327 /nfs/dbraw/zinc/48/83/27/878488327.db2.gz ZNSGTUKYKNHMCP-UHFFFAOYSA-N 1 2 390.443 3.747 20 30 GHEDLO C[C@@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1c(F)cccc1F ZINC000538122865 878848014 /nfs/dbraw/zinc/84/80/14/878848014.db2.gz SZYWESLWSXQJBU-CYBMUJFWSA-N 1 2 396.359 3.802 20 30 GHEDLO C#CCn1ccc(C[N@@H+](CCOC)[C@H](C)c2ccc(OC(F)(F)F)cc2)n1 ZINC000789323246 878854845 /nfs/dbraw/zinc/85/48/45/878854845.db2.gz XTRYQZJMEVPEQM-OAHLLOKOSA-N 1 2 381.398 3.625 20 30 GHEDLO C#CCn1ccc(C[N@H+](CCOC)[C@H](C)c2ccc(OC(F)(F)F)cc2)n1 ZINC000789323246 878854857 /nfs/dbraw/zinc/85/48/57/878854857.db2.gz XTRYQZJMEVPEQM-OAHLLOKOSA-N 1 2 381.398 3.625 20 30 GHEDLO C#CCOc1ccccc1C[NH+]1CCN(Cc2csc([C@@H](C)OCC)n2)CC1 ZINC000093737072 912408275 /nfs/dbraw/zinc/40/82/75/912408275.db2.gz GEVVMOAFJBNLGH-GOSISDBHSA-N 1 2 399.560 3.570 20 30 GHEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@H](C3CCCCC3)C2)nc1-c1cnccn1 ZINC000853555485 879111662 /nfs/dbraw/zinc/11/16/62/879111662.db2.gz XCKKQHFGRZZVLE-KRWDZBQOSA-N 1 2 384.553 3.917 20 30 GHEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@H](C3CCCCC3)C2)nc1-c1cnccn1 ZINC000853555485 879111680 /nfs/dbraw/zinc/11/16/80/879111680.db2.gz XCKKQHFGRZZVLE-KRWDZBQOSA-N 1 2 384.553 3.917 20 30 GHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1nc([C@@H]2COc3ccccc3O2)n(C)c1=S ZINC000853599585 879157210 /nfs/dbraw/zinc/15/72/10/879157210.db2.gz SFKSAPKNCIYYHF-DAYGRLMNSA-N 1 2 384.505 3.604 20 30 GHEDLO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1nc([C@@H]2COc3ccccc3O2)n(C)c1=S ZINC000853599585 879157212 /nfs/dbraw/zinc/15/72/12/879157212.db2.gz SFKSAPKNCIYYHF-DAYGRLMNSA-N 1 2 384.505 3.604 20 30 GHEDLO C#CCn1ccc(C[N@@H+](CC)Cc2cccc(OCc3ccccc3C#N)c2)n1 ZINC000789758536 879237677 /nfs/dbraw/zinc/23/76/77/879237677.db2.gz MJAIWUGLWGPYEO-UHFFFAOYSA-N 1 2 384.483 3.989 20 30 GHEDLO C#CCn1ccc(C[N@H+](CC)Cc2cccc(OCc3ccccc3C#N)c2)n1 ZINC000789758536 879237686 /nfs/dbraw/zinc/23/76/86/879237686.db2.gz MJAIWUGLWGPYEO-UHFFFAOYSA-N 1 2 384.483 3.989 20 30 GHEDLO C[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1c(F)cncc1F ZINC000285859625 912474843 /nfs/dbraw/zinc/47/48/43/912474843.db2.gz XMIIWRXCXKLAAC-LBPRGKRZSA-N 1 2 378.810 3.611 20 30 GHEDLO CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000461364589 879673248 /nfs/dbraw/zinc/67/32/48/879673248.db2.gz WBPSRBXZLARXMK-GOSISDBHSA-N 1 2 382.895 3.751 20 30 GHEDLO CC[C@@H]1CN(c2ccccc2)CC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000461364589 879673263 /nfs/dbraw/zinc/67/32/63/879673263.db2.gz WBPSRBXZLARXMK-GOSISDBHSA-N 1 2 382.895 3.751 20 30 GHEDLO COc1ccc2c(c1)C[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@H](c1ccccc1)C2 ZINC000246886328 879839820 /nfs/dbraw/zinc/83/98/20/879839820.db2.gz BEECUCMDWPTDPJ-UPVQGACJSA-N 1 2 391.515 3.849 20 30 GHEDLO COc1ccc2c(c1)C[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@H](c1ccccc1)C2 ZINC000246886328 879839834 /nfs/dbraw/zinc/83/98/34/879839834.db2.gz BEECUCMDWPTDPJ-UPVQGACJSA-N 1 2 391.515 3.849 20 30 GHEDLO N#CCn1c(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc2ccccc21 ZINC000609166273 879963841 /nfs/dbraw/zinc/96/38/41/879963841.db2.gz PBQOVILWEPBCOT-UHFFFAOYSA-N 1 2 379.489 3.860 20 30 GHEDLO CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000184016587 880204726 /nfs/dbraw/zinc/20/47/26/880204726.db2.gz NGPNVHHYHAPAED-GOSISDBHSA-N 1 2 394.544 3.842 20 30 GHEDLO CC[C@@H]1CN(c2ccccc2)CC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000184016587 880204738 /nfs/dbraw/zinc/20/47/38/880204738.db2.gz NGPNVHHYHAPAED-GOSISDBHSA-N 1 2 394.544 3.842 20 30 GHEDLO CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000113972616 881020028 /nfs/dbraw/zinc/02/00/28/881020028.db2.gz GIDDFNDWCABCJG-FQEVSTJZSA-N 1 2 389.459 3.553 20 30 GHEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2cc(F)c(C)c(Br)c2)C1=O ZINC001275212804 912645289 /nfs/dbraw/zinc/64/52/89/912645289.db2.gz LUEKKRIGHDCAOK-GOSISDBHSA-N 1 2 381.289 3.650 20 30 GHEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2cc(F)c(C)c(Br)c2)C1=O ZINC001275212804 912645292 /nfs/dbraw/zinc/64/52/92/912645292.db2.gz LUEKKRIGHDCAOK-GOSISDBHSA-N 1 2 381.289 3.650 20 30 GHEDLO CCCCCCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804764215 883338970 /nfs/dbraw/zinc/33/89/70/883338970.db2.gz VJPKXPJGZAHCML-SFHVURJKSA-N 1 2 381.561 3.501 20 30 GHEDLO N#Cc1cc(Cl)ccc1N1CC[NH+]([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000609564222 883345795 /nfs/dbraw/zinc/34/57/95/883345795.db2.gz XQXICJQEMJLBRB-IBGZPJMESA-N 1 2 376.287 3.721 20 30 GHEDLO C#C[C@@H](NC(=O)NCc1[nH+]cc(C)c(OC)c1C)c1ccc(Cl)cc1F ZINC000805028967 883540754 /nfs/dbraw/zinc/54/07/54/883540754.db2.gz FBFPYCAFHLQEGG-MRXNPFEDSA-N 1 2 375.831 3.673 20 30 GHEDLO N#CCCCCCC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000805161915 883639453 /nfs/dbraw/zinc/63/94/53/883639453.db2.gz ZRXILBKELODLDI-UHFFFAOYSA-N 1 2 383.414 3.703 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000054392655 883696000 /nfs/dbraw/zinc/69/60/00/883696000.db2.gz RKWMCWZTXATPST-MRXNPFEDSA-N 1 2 397.544 3.668 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000054392655 883696007 /nfs/dbraw/zinc/69/60/07/883696007.db2.gz RKWMCWZTXATPST-MRXNPFEDSA-N 1 2 397.544 3.668 20 30 GHEDLO C[C@H](C(=O)N[C@@H](C#N)c1ccccc1Br)[N@@H+]1CCc2ccccc2C1 ZINC000609875971 883765202 /nfs/dbraw/zinc/76/52/02/883765202.db2.gz LBBKBFSCGKLEQW-KUHUBIRLSA-N 1 2 398.304 3.577 20 30 GHEDLO C[C@H](C(=O)N[C@@H](C#N)c1ccccc1Br)[N@H+]1CCc2ccccc2C1 ZINC000609875971 883765212 /nfs/dbraw/zinc/76/52/12/883765212.db2.gz LBBKBFSCGKLEQW-KUHUBIRLSA-N 1 2 398.304 3.577 20 30 GHEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000444915957 884101178 /nfs/dbraw/zinc/10/11/78/884101178.db2.gz ZHYJCCXQUQLXAN-ZDUSSCGKSA-N 1 2 377.370 3.722 20 30 GHEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C2CCC(C(F)(F)F)CC2)CC1=O ZINC000914595967 884271368 /nfs/dbraw/zinc/27/13/68/884271368.db2.gz GBSAXJUBKZHHQY-UHFFFAOYSA-N 1 2 392.425 3.767 20 30 GHEDLO C#CC[C@H](Cc1ccccc1)OC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000805997656 884285405 /nfs/dbraw/zinc/28/54/05/884285405.db2.gz CAIVZZYBZDQBJV-OAQYLSRUSA-N 1 2 382.529 3.841 20 30 GHEDLO N#Cc1ccc(OC(F)F)c(NC(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000102803171 884467589 /nfs/dbraw/zinc/46/75/89/884467589.db2.gz UCPAOHSMASXMKZ-UHFFFAOYSA-N 1 2 383.358 3.667 20 30 GHEDLO C#CC[C@H](Cc1ccccc1)NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000806260953 884513009 /nfs/dbraw/zinc/51/30/09/884513009.db2.gz YEWSIZATJUSSRI-DENIHFKCSA-N 1 2 391.515 3.836 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)NCc1cncc2ccccc21 ZINC001183840660 912844241 /nfs/dbraw/zinc/84/42/41/912844241.db2.gz TVOBNBDXOSYTMA-HSZRJFAPSA-N 1 2 384.483 3.777 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)NCc1cncc2ccccc21 ZINC001183840660 912844254 /nfs/dbraw/zinc/84/42/54/912844254.db2.gz TVOBNBDXOSYTMA-HSZRJFAPSA-N 1 2 384.483 3.777 20 30 GHEDLO CC(C)(C#N)c1ccccc1C[NH+]1CCN(C(=O)OCc2ccccc2)CC1 ZINC001168285319 884662582 /nfs/dbraw/zinc/66/25/82/884662582.db2.gz SQELWKPTYSOIIK-UHFFFAOYSA-N 1 2 377.488 3.942 20 30 GHEDLO C[N@H+](CCOc1cccc(C#N)c1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000051536666 884905245 /nfs/dbraw/zinc/90/52/45/884905245.db2.gz ZZMOCBXIYWHMCG-UHFFFAOYSA-N 1 2 378.259 3.814 20 30 GHEDLO C[N@@H+](CCOc1cccc(C#N)c1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000051536666 884905274 /nfs/dbraw/zinc/90/52/74/884905274.db2.gz ZZMOCBXIYWHMCG-UHFFFAOYSA-N 1 2 378.259 3.814 20 30 GHEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2sccc2C#N)cc1 ZINC000104450771 885429047 /nfs/dbraw/zinc/42/90/47/885429047.db2.gz SYQJRVDBBRTSBO-UHFFFAOYSA-N 1 2 394.500 3.948 20 30 GHEDLO COc1ccc(-c2nc(SCCC[NH+]3CCCCC3)[nH]c(=O)c2C#N)cc1 ZINC000808249077 886146489 /nfs/dbraw/zinc/14/64/89/886146489.db2.gz XIAJJLSTLSDTLO-UHFFFAOYSA-N 1 2 384.505 3.698 20 30 GHEDLO C=CCSc1ccccc1NC(=O)CN1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000118835622 886278170 /nfs/dbraw/zinc/27/81/70/886278170.db2.gz JBIOSASRKPBOJT-SFHVURJKSA-N 1 2 396.560 3.677 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](Cc3nccn3-c3ccccc3)CC2)c(F)c1 ZINC000556842532 886326982 /nfs/dbraw/zinc/32/69/82/886326982.db2.gz SUXHWXPAJXTXHR-UHFFFAOYSA-N 1 2 376.435 3.926 20 30 GHEDLO N#CCC[C@@H](NC(=O)NCCc1[nH+]ccn1Cc1ccccc1)c1ccccc1 ZINC000131945154 886611612 /nfs/dbraw/zinc/61/16/12/886611612.db2.gz BGUZXYZGDPAJOJ-OAQYLSRUSA-N 1 2 387.487 3.818 20 30 GHEDLO C[C@@H](c1nnc(SCc2cncc(C#N)c2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000915465373 886715186 /nfs/dbraw/zinc/71/51/86/886715186.db2.gz ASBPXPIFVXKGII-ZDUSSCGKSA-N 1 2 382.468 3.588 20 30 GHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1 ZINC000762722139 886764153 /nfs/dbraw/zinc/76/41/53/886764153.db2.gz CQBBLNNBBPXMJW-ZDUSSCGKSA-N 1 2 395.208 3.971 20 30 GHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1 ZINC000762722139 886764171 /nfs/dbraw/zinc/76/41/71/886764171.db2.gz CQBBLNNBBPXMJW-ZDUSSCGKSA-N 1 2 395.208 3.971 20 30 GHEDLO CCOCCCn1c(N[NH+]=C(CC)c2ccc(N)cc2)nc2ccccc2c1=O ZINC000863074577 886868087 /nfs/dbraw/zinc/86/80/87/886868087.db2.gz DVDATDNPVSJZIO-UHFFFAOYSA-N 1 2 393.491 3.632 20 30 GHEDLO C=CCn1c2nn(C[N@@H+]3CCCC4(CC4)CC3)c(=S)n2c2ccccc2c1=O ZINC000863331260 887035546 /nfs/dbraw/zinc/03/55/46/887035546.db2.gz YGNKWXLVBIJRBX-UHFFFAOYSA-N 1 2 395.532 3.590 20 30 GHEDLO C=CCn1c2nn(C[N@H+]3CCCC4(CC4)CC3)c(=S)n2c2ccccc2c1=O ZINC000863331260 887035558 /nfs/dbraw/zinc/03/55/58/887035558.db2.gz YGNKWXLVBIJRBX-UHFFFAOYSA-N 1 2 395.532 3.590 20 30 GHEDLO C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000105016787 887225499 /nfs/dbraw/zinc/22/54/99/887225499.db2.gz WXDIQEZDZFVGHE-SJORKVTESA-N 1 2 394.475 3.581 20 30 GHEDLO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3cccc(Br)n3)CC2)c1 ZINC000272431810 887478165 /nfs/dbraw/zinc/47/81/65/887478165.db2.gz QTRVKKBAFUBPQG-UHFFFAOYSA-N 1 2 399.292 3.566 20 30 GHEDLO C#CCOc1ccc(C[NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)cc1 ZINC000119731876 887481888 /nfs/dbraw/zinc/48/18/88/887481888.db2.gz UBWLGSDXVAWJOG-UHFFFAOYSA-N 1 2 397.276 3.536 20 30 GHEDLO C#CC[C@]1(C(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)CCCN1C(=O)OC(C)(C)C ZINC000809571103 887550689 /nfs/dbraw/zinc/55/06/89/887550689.db2.gz JZZVAILJQAUOKV-OAQYLSRUSA-N 1 2 382.464 3.603 20 30 GHEDLO C=CCOc1ccccc1C[NH+]1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000536634797 888467879 /nfs/dbraw/zinc/46/78/79/888467879.db2.gz MKOUHAUPAPKEIB-UHFFFAOYSA-N 1 2 390.487 3.619 20 30 GHEDLO CCOc1ccc(NC(=S)N[NH+]=Cc2ccc(N(C)CCC#N)cc2)cc1 ZINC000915926902 888563245 /nfs/dbraw/zinc/56/32/45/888563245.db2.gz SAGBSAHEJBVBBR-UHFFFAOYSA-N 1 2 381.505 3.756 20 30 GHEDLO CC(C)(CCC#N)CNC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000496651880 888977462 /nfs/dbraw/zinc/97/74/62/888977462.db2.gz QAWLWQXKYWZOEE-HNNXBMFYSA-N 1 2 378.467 3.558 20 30 GHEDLO CC(C)(CCC#N)CNC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000496651880 888977476 /nfs/dbraw/zinc/97/74/76/888977476.db2.gz QAWLWQXKYWZOEE-HNNXBMFYSA-N 1 2 378.467 3.558 20 30 GHEDLO Cc1noc(C)c1CCO[NH+]=C(N)c1ccc(COc2ccccc2F)cc1 ZINC000774756280 913305892 /nfs/dbraw/zinc/30/58/92/913305892.db2.gz KJVCKGWYRURFMZ-UHFFFAOYSA-N 1 2 383.423 3.889 20 30 GHEDLO C=CCn1c(-c2ccco2)nn(CN2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1=S ZINC000121655993 889075770 /nfs/dbraw/zinc/07/57/70/889075770.db2.gz YVHRCIYCQPXRMD-HOTGVXAUSA-N 1 2 384.509 3.597 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCN(C)c2ccccc2C1 ZINC000533277147 890151124 /nfs/dbraw/zinc/15/11/24/890151124.db2.gz VUJYFSMSPZUFDV-QGZVFWFLSA-N 1 2 394.544 3.829 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCN(C)c2ccccc2C1 ZINC000533277147 890151140 /nfs/dbraw/zinc/15/11/40/890151140.db2.gz VUJYFSMSPZUFDV-QGZVFWFLSA-N 1 2 394.544 3.829 20 30 GHEDLO C#CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCc2ccccc21 ZINC000917119440 891301304 /nfs/dbraw/zinc/30/13/04/891301304.db2.gz FRCJKXAZCQCJFN-LJQANCHMSA-N 1 2 383.835 3.809 20 30 GHEDLO C#CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCc2ccccc21 ZINC000917119440 891301322 /nfs/dbraw/zinc/30/13/22/891301322.db2.gz FRCJKXAZCQCJFN-LJQANCHMSA-N 1 2 383.835 3.809 20 30 GHEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCc2ccc(C#N)cc2F)C[C@@H](C)O1 ZINC000609253670 891562378 /nfs/dbraw/zinc/56/23/78/891562378.db2.gz RDQBJVFKRWOOTQ-HZPDHXFCSA-N 1 2 396.466 3.628 20 30 GHEDLO CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cc(C#N)cs2)c1 ZINC000933776426 893210683 /nfs/dbraw/zinc/21/06/83/893210683.db2.gz XZVXLBVECDUNTF-OAHLLOKOSA-N 1 2 398.532 3.561 20 30 GHEDLO CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cc(C#N)cs2)c1 ZINC000933776426 893210699 /nfs/dbraw/zinc/21/06/99/893210699.db2.gz XZVXLBVECDUNTF-OAHLLOKOSA-N 1 2 398.532 3.561 20 30 GHEDLO Cc1nc2ccccc2n1C1CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459445457 893536483 /nfs/dbraw/zinc/53/64/83/893536483.db2.gz OIEYGOFEZOJYLA-UHFFFAOYSA-N 1 2 375.432 3.962 20 30 GHEDLO C=CC[N@@H+](CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccco1)C1CC1 ZINC000536742031 893673291 /nfs/dbraw/zinc/67/32/91/893673291.db2.gz NGAXQOWPRXCRIT-HXUWFJFHSA-N 1 2 379.460 3.616 20 30 GHEDLO C=CC[N@H+](CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccco1)C1CC1 ZINC000536742031 893673299 /nfs/dbraw/zinc/67/32/99/893673299.db2.gz NGAXQOWPRXCRIT-HXUWFJFHSA-N 1 2 379.460 3.616 20 30 GHEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000288537680 913798323 /nfs/dbraw/zinc/79/83/23/913798323.db2.gz WHKLRQDYGHOITN-UHFFFAOYSA-N 1 2 395.478 3.754 20 30 GHEDLO C=CCN(CCc1ccco1)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000498282000 893918540 /nfs/dbraw/zinc/91/85/40/893918540.db2.gz PSJKJXBLDXGSQT-PMACEKPBSA-N 1 2 389.446 3.743 20 30 GHEDLO C=CCN(CCc1ccco1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000498282000 893918556 /nfs/dbraw/zinc/91/85/56/893918556.db2.gz PSJKJXBLDXGSQT-PMACEKPBSA-N 1 2 389.446 3.743 20 30 GHEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C[C@H](CC#N)c1ccccc1 ZINC000476087155 895146721 /nfs/dbraw/zinc/14/67/21/895146721.db2.gz UEESPWQLWCXAKU-NRFANRHFSA-N 1 2 377.488 3.853 20 30 GHEDLO CC[C@@H](C)n1c2ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc2nc1C(F)(F)F ZINC000564867482 895288871 /nfs/dbraw/zinc/28/88/71/895288871.db2.gz FFABQDBLKJMXGK-UKRRQHHQSA-N 1 2 397.445 3.644 20 30 GHEDLO CC[C@@H](C)n1c2ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc2nc1C(F)(F)F ZINC000564867482 895288882 /nfs/dbraw/zinc/28/88/82/895288882.db2.gz FFABQDBLKJMXGK-UKRRQHHQSA-N 1 2 397.445 3.644 20 30 GHEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N(Cc1ccccc1)c1nc2c(s1)CCCC2 ZINC000565172155 895438861 /nfs/dbraw/zinc/43/88/61/895438861.db2.gz PDYRQDQJEXKTHO-KRWDZBQOSA-N 1 2 382.533 3.837 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)NCC2(CC#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000565399342 895595474 /nfs/dbraw/zinc/59/54/74/895595474.db2.gz HZPIIDFBQUJWRZ-IRXDYDNUSA-N 1 2 378.879 3.607 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)NCC2(CC#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000565399342 895595482 /nfs/dbraw/zinc/59/54/82/895595482.db2.gz HZPIIDFBQUJWRZ-IRXDYDNUSA-N 1 2 378.879 3.607 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000565841604 895923989 /nfs/dbraw/zinc/92/39/89/895923989.db2.gz GIYDBZDLPXYXHJ-SFHVURJKSA-N 1 2 390.487 3.515 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCC=C(c2ccccn2)C1 ZINC000565841604 895924000 /nfs/dbraw/zinc/92/40/00/895924000.db2.gz GIYDBZDLPXYXHJ-SFHVURJKSA-N 1 2 390.487 3.515 20 30 GHEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccccc1SC[C@@H]1CC1(Cl)Cl ZINC000819418540 896714329 /nfs/dbraw/zinc/71/43/29/896714329.db2.gz JLCXFWFHJJEVAB-KBPBESRZSA-N 1 2 388.364 3.591 20 30 GHEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccccc1SC[C@@H]1CC1(Cl)Cl ZINC000819418540 896714340 /nfs/dbraw/zinc/71/43/40/896714340.db2.gz JLCXFWFHJJEVAB-KBPBESRZSA-N 1 2 388.364 3.591 20 30 GHEDLO CC[C@H](C#N)Oc1cccc(CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC000819878803 897026222 /nfs/dbraw/zinc/02/62/22/897026222.db2.gz JKAMNQXJCIWZOV-TZIWHRDSSA-N 1 2 388.471 3.929 20 30 GHEDLO C=CC[N@@H+](CCc1ccco1)Cn1c(=O)oc2cc(Br)ccc21 ZINC000778586084 897079439 /nfs/dbraw/zinc/07/94/39/897079439.db2.gz ZFXAPSIXPNFFOU-UHFFFAOYSA-N 1 2 377.238 3.638 20 30 GHEDLO C=CC[N@H+](CCc1ccco1)Cn1c(=O)oc2cc(Br)ccc21 ZINC000778586084 897079452 /nfs/dbraw/zinc/07/94/52/897079452.db2.gz ZFXAPSIXPNFFOU-UHFFFAOYSA-N 1 2 377.238 3.638 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)c(C(F)(F)F)c1 ZINC000567495786 897202623 /nfs/dbraw/zinc/20/26/23/897202623.db2.gz ZJRQTTACVRINCD-LJQANCHMSA-N 1 2 387.405 3.510 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)c(C(F)(F)F)c1 ZINC000567495786 897202641 /nfs/dbraw/zinc/20/26/41/897202641.db2.gz ZJRQTTACVRINCD-LJQANCHMSA-N 1 2 387.405 3.510 20 30 GHEDLO CC[C@H]1C[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CCCO1 ZINC000568587097 897959739 /nfs/dbraw/zinc/95/97/39/897959739.db2.gz MHDAUTVNTWTLNG-CABCVRRESA-N 1 2 375.538 3.717 20 30 GHEDLO CC[C@H]1C[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CCCO1 ZINC000568587097 897959745 /nfs/dbraw/zinc/95/97/45/897959745.db2.gz MHDAUTVNTWTLNG-CABCVRRESA-N 1 2 375.538 3.717 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000118859839 899486770 /nfs/dbraw/zinc/48/67/70/899486770.db2.gz FRPAAWURDUILSG-QGZVFWFLSA-N 1 2 399.564 3.955 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000118859839 899486776 /nfs/dbraw/zinc/48/67/76/899486776.db2.gz FRPAAWURDUILSG-QGZVFWFLSA-N 1 2 399.564 3.955 20 30 GHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCc1ccc(CC#N)cc1 ZINC000571280505 899814088 /nfs/dbraw/zinc/81/40/88/899814088.db2.gz WSXJYYOBHZRHID-UHFFFAOYSA-N 1 2 391.519 3.596 20 30 GHEDLO CCN1CCn2c(C)cnc2C12CC[NH+](Cc1c(Cl)cccc1C#N)CC2 ZINC001143723007 900442394 /nfs/dbraw/zinc/44/23/94/900442394.db2.gz ADXYQSRUPFNNMM-UHFFFAOYSA-N 1 2 383.927 3.543 20 30 GHEDLO N#Cc1cc(NC(=O)[C@H]2Cc3ccccc3C[N@@H+]2Cc2ccccc2)ccc1O ZINC001186317029 914468619 /nfs/dbraw/zinc/46/86/19/914468619.db2.gz VRSCKPZMYIJPQX-JOCHJYFZSA-N 1 2 383.451 3.829 20 30 GHEDLO N#Cc1cc(NC(=O)[C@H]2Cc3ccccc3C[N@H+]2Cc2ccccc2)ccc1O ZINC001186317029 914468622 /nfs/dbraw/zinc/46/86/22/914468622.db2.gz VRSCKPZMYIJPQX-JOCHJYFZSA-N 1 2 383.451 3.829 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2cncc(C#N)c2)[C@H](Cc2ccccc2)C1 ZINC001144079247 901045852 /nfs/dbraw/zinc/04/58/52/901045852.db2.gz DPUVEQQSRNNDIL-OAQYLSRUSA-N 1 2 392.503 3.617 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2cncc(C#N)c2)[C@H](Cc2ccccc2)C1 ZINC001144079247 901045859 /nfs/dbraw/zinc/04/58/59/901045859.db2.gz DPUVEQQSRNNDIL-OAQYLSRUSA-N 1 2 392.503 3.617 20 30 GHEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000574995656 901077846 /nfs/dbraw/zinc/07/78/46/901077846.db2.gz HVRPYLUMYMTHIA-NRFANRHFSA-N 1 2 390.443 3.650 20 30 GHEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000574995656 901077860 /nfs/dbraw/zinc/07/78/60/901077860.db2.gz HVRPYLUMYMTHIA-NRFANRHFSA-N 1 2 390.443 3.650 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+]2CCc3ccccc3[C@@H](C)C2)c1=S ZINC000844743798 901224355 /nfs/dbraw/zinc/22/43/55/901224355.db2.gz ZSALJZZOZAGGLY-INIZCTEOSA-N 1 2 392.532 3.676 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+]2CCc3ccccc3[C@@H](C)C2)c1=S ZINC000844743798 901224364 /nfs/dbraw/zinc/22/43/64/901224364.db2.gz ZSALJZZOZAGGLY-INIZCTEOSA-N 1 2 392.532 3.676 20 30 GHEDLO [NH2+]=C(Nc1c[nH]c2ncc(Br)nc12)c1ccc2cc(O)ccc2c1 ZINC001171182390 902173528 /nfs/dbraw/zinc/17/35/28/902173528.db2.gz MCAWKODCFWZUAO-UHFFFAOYSA-N 1 2 382.221 3.616 20 30 GHEDLO C[N@@H+](Cc1c(F)ccc(C2OCCO2)c1Cl)C[C@@H](O)c1cccc(C#N)c1 ZINC000846008191 902588925 /nfs/dbraw/zinc/58/89/25/902588925.db2.gz SXFADYMINJNUMQ-GOSISDBHSA-N 1 2 390.842 3.562 20 30 GHEDLO C[N@H+](Cc1c(F)ccc(C2OCCO2)c1Cl)C[C@@H](O)c1cccc(C#N)c1 ZINC000846008191 902588931 /nfs/dbraw/zinc/58/89/31/902588931.db2.gz SXFADYMINJNUMQ-GOSISDBHSA-N 1 2 390.842 3.562 20 30 GHEDLO C=CCCn1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)nn1 ZINC000846821985 903243375 /nfs/dbraw/zinc/24/33/75/903243375.db2.gz VIHWFEYQMIDKQG-MOPGFXCFSA-N 1 2 389.544 3.608 20 30 GHEDLO C=CCCn1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)nn1 ZINC000846821985 903243384 /nfs/dbraw/zinc/24/33/84/903243384.db2.gz VIHWFEYQMIDKQG-MOPGFXCFSA-N 1 2 389.544 3.608 20 30 GHEDLO N#CC[C@H]1CCCN(C(=O)[C@H](c2cccc(Br)c2)[NH+]2CCCC2)C1 ZINC001147059865 903678735 /nfs/dbraw/zinc/67/87/35/903678735.db2.gz CDULMFIQGPDGHV-QAPCUYQASA-N 1 2 390.325 3.738 20 30 GHEDLO C=CCOc1ccc(C(=O)Nc2ccc(OC)nc2-n2cc[nH+]c2CC)cc1 ZINC001148459380 904076616 /nfs/dbraw/zinc/07/66/16/904076616.db2.gz WVDAUZVQDZXDAX-UHFFFAOYSA-N 1 2 378.432 3.655 20 30 GHEDLO N#CCCn1cc(C(=O)C[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)c2ccccc21 ZINC000578827756 904156589 /nfs/dbraw/zinc/15/65/89/904156589.db2.gz BGTDQWMFDOBUTF-UHFFFAOYSA-N 1 2 385.467 3.991 20 30 GHEDLO N#CCCn1cc(C(=O)C[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)c2ccccc21 ZINC000578827756 904156597 /nfs/dbraw/zinc/15/65/97/904156597.db2.gz BGTDQWMFDOBUTF-UHFFFAOYSA-N 1 2 385.467 3.991 20 30 GHEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171506708 904781935 /nfs/dbraw/zinc/78/19/35/904781935.db2.gz ZDWWRALTSKNOCB-LPHOPBHVSA-N 1 2 389.417 3.891 20 30 GHEDLO C[C@@H]1C[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)CCc2ccc(Cl)cc21 ZINC001171718162 904944413 /nfs/dbraw/zinc/94/44/13/904944413.db2.gz AZMAJAIDFPPUMH-OAHLLOKOSA-N 1 2 388.920 3.647 20 30 GHEDLO C[C@@H]1C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)CCc2ccc(Cl)cc21 ZINC001171718162 904944421 /nfs/dbraw/zinc/94/44/21/904944421.db2.gz AZMAJAIDFPPUMH-OAHLLOKOSA-N 1 2 388.920 3.647 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)c1C ZINC000801578463 921150190 /nfs/dbraw/zinc/15/01/90/921150190.db2.gz XLDKBSCVWHDSMS-QFIPXVFZSA-N 1 2 389.540 3.710 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)c1C ZINC000801578463 921150194 /nfs/dbraw/zinc/15/01/94/921150194.db2.gz XLDKBSCVWHDSMS-QFIPXVFZSA-N 1 2 389.540 3.710 20 30 GHEDLO Cc1ccc([C@@H](C)[N@H+](C)CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)c(C)c1 ZINC000299094707 921189384 /nfs/dbraw/zinc/18/93/84/921189384.db2.gz ZYXGHKDRYDDADL-VQIMIIECSA-N 1 2 388.471 3.822 20 30 GHEDLO Cc1ccc([C@@H](C)[N@@H+](C)CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)c(C)c1 ZINC000299094707 921189389 /nfs/dbraw/zinc/18/93/89/921189389.db2.gz ZYXGHKDRYDDADL-VQIMIIECSA-N 1 2 388.471 3.822 20 30 GHEDLO COC(=O)[C@H](Cc1ccc(Br)cc1)[NH2+]C1CCC(C)(C#N)CC1 ZINC001173586248 906544945 /nfs/dbraw/zinc/54/49/45/906544945.db2.gz MDJQXKAZFPMNLD-PQUAAJSLSA-N 1 2 379.298 3.595 20 30 GHEDLO CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3cc(C#N)ccc3F)c[nH+]2)CC1 ZINC001174454907 907062618 /nfs/dbraw/zinc/06/26/18/907062618.db2.gz YWSXDTQVDRKZPJ-UHFFFAOYSA-N 1 2 397.454 3.893 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c1C#N ZINC000773428125 907291456 /nfs/dbraw/zinc/29/14/56/907291456.db2.gz IZKHERLSTJKUSQ-NQIIRXRSSA-N 1 2 376.460 3.734 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c1C#N ZINC000773428125 907291471 /nfs/dbraw/zinc/29/14/71/907291471.db2.gz IZKHERLSTJKUSQ-NQIIRXRSSA-N 1 2 376.460 3.734 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)Cc2ccccc2CC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000777411159 907682427 /nfs/dbraw/zinc/68/24/27/907682427.db2.gz ZKUYFLFLUKDWIQ-PZJWPPBQSA-N 1 2 385.870 3.649 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)Cc2ccccc2CC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000777411159 907682436 /nfs/dbraw/zinc/68/24/36/907682436.db2.gz ZKUYFLFLUKDWIQ-PZJWPPBQSA-N 1 2 385.870 3.649 20 30 GHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC001176235188 907997941 /nfs/dbraw/zinc/99/79/41/907997941.db2.gz PPEUMPAJDTYCGY-APWZRJJASA-N 1 2 381.501 3.597 20 30 GHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC001176235188 907997945 /nfs/dbraw/zinc/99/79/45/907997945.db2.gz PPEUMPAJDTYCGY-APWZRJJASA-N 1 2 381.501 3.597 20 30 GHEDLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N[C@H](c1ccc(F)cc1)C(F)(F)F ZINC000635849485 909362278 /nfs/dbraw/zinc/36/22/78/909362278.db2.gz NZEGVGRAIYTKAK-DGCLKSJQSA-N 1 2 383.267 3.936 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2Cc3ccccc3O[C@@H](C)C2)cc1 ZINC000795428812 910271626 /nfs/dbraw/zinc/27/16/26/910271626.db2.gz BSXRESJZMVOCJH-RBUKOAKNSA-N 1 2 377.488 3.913 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2Cc3ccccc3O[C@@H](C)C2)cc1 ZINC000795428812 910271632 /nfs/dbraw/zinc/27/16/32/910271632.db2.gz BSXRESJZMVOCJH-RBUKOAKNSA-N 1 2 377.488 3.913 20 30 GHEDLO C[C@@H](c1cccc(NC(=O)NC2(c3cccc(C#N)c3)CC2)c1)[NH+]1CCOCC1 ZINC000269592465 910312670 /nfs/dbraw/zinc/31/26/70/910312670.db2.gz GTDVEZRFCVTVPA-KRWDZBQOSA-N 1 2 390.487 3.762 20 30 GHEDLO Cc1ccc2[nH+]c(CSCC(=O)NC3(c4cccc(C#N)c4)CC3)cn2c1 ZINC000269608098 910316411 /nfs/dbraw/zinc/31/64/11/910316411.db2.gz KVAUNOYUPVNALK-UHFFFAOYSA-N 1 2 376.485 3.553 20 30 GHEDLO C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001275698348 916110310 /nfs/dbraw/zinc/11/03/10/916110310.db2.gz GVSBTQGZCPTMSQ-SFHVURJKSA-N 1 2 376.416 3.698 20 30 GHEDLO C=CCOc1c(Br)cc(C[NH2+]Cc2nnc(C(C)C)[nH]2)cc1OC ZINC000294936360 917059097 /nfs/dbraw/zinc/05/90/97/917059097.db2.gz ZVPKTFZXAULYFH-UHFFFAOYSA-N 1 2 395.301 3.554 20 30 GHEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000796446878 917380441 /nfs/dbraw/zinc/38/04/41/917380441.db2.gz CYIMUYUREHMUSO-ITICKHJUSA-N 1 2 396.453 3.646 20 30 GHEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000796446878 917380452 /nfs/dbraw/zinc/38/04/52/917380452.db2.gz CYIMUYUREHMUSO-ITICKHJUSA-N 1 2 396.453 3.646 20 30 GHEDLO C[N@H+](CC(=O)Nc1ccccc1SCC#N)[C@H](CO)c1ccc(Cl)cc1 ZINC000296146502 917905437 /nfs/dbraw/zinc/90/54/37/917905437.db2.gz GOHYPTZVGAUAIV-QGZVFWFLSA-N 1 2 389.908 3.560 20 30 GHEDLO C[N@@H+](CC(=O)Nc1ccccc1SCC#N)[C@H](CO)c1ccc(Cl)cc1 ZINC000296146502 917905445 /nfs/dbraw/zinc/90/54/45/917905445.db2.gz GOHYPTZVGAUAIV-QGZVFWFLSA-N 1 2 389.908 3.560 20 30 GHEDLO N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1F ZINC000364043505 919093922 /nfs/dbraw/zinc/09/39/22/919093922.db2.gz ROZREEAALZTMLY-HNNXBMFYSA-N 1 2 376.391 3.887 20 30 GHEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1 ZINC000115536121 919454593 /nfs/dbraw/zinc/45/45/93/919454593.db2.gz QZCJRJKZCPAYKA-LJQANCHMSA-N 1 2 394.862 3.759 20 30 GHEDLO N#Cc1csc(C[NH2+][C@H](c2ccc(Br)cc2)[C@H]2CCCO2)n1 ZINC000903263522 922890003 /nfs/dbraw/zinc/89/00/03/922890003.db2.gz NPDUZYOYGBGUKG-GDBMZVCRSA-N 1 2 378.295 3.787 20 30 GHEDLO N#CC1(c2ccccn2)CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000369215342 923211248 /nfs/dbraw/zinc/21/12/48/923211248.db2.gz PIBPUZNCIFIUGQ-UHFFFAOYSA-N 1 2 385.389 3.889 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1nc3ccccn3c1C)CC2 ZINC001137269097 924165156 /nfs/dbraw/zinc/16/51/56/924165156.db2.gz AIPNMUIETRZBGV-UHFFFAOYSA-N 1 2 391.519 3.510 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1nc3ccccn3c1C)CC2 ZINC001137269097 924165163 /nfs/dbraw/zinc/16/51/63/924165163.db2.gz AIPNMUIETRZBGV-UHFFFAOYSA-N 1 2 391.519 3.510 20 30 GHEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000370944481 924360440 /nfs/dbraw/zinc/36/04/40/924360440.db2.gz JXYSRYNXHUCCHR-ZDUSSCGKSA-N 1 2 384.436 3.718 20 30 GHEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000370944481 924360444 /nfs/dbraw/zinc/36/04/44/924360444.db2.gz JXYSRYNXHUCCHR-ZDUSSCGKSA-N 1 2 384.436 3.718 20 30 GHEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1cc(C)ccc1Br)CC2 ZINC001137383772 925205029 /nfs/dbraw/zinc/20/50/29/925205029.db2.gz LKDWZOCGKNXOHO-UHFFFAOYSA-N 1 2 390.325 3.752 20 30 GHEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1cc(C)ccc1Br)CC2 ZINC001137383772 925205038 /nfs/dbraw/zinc/20/50/38/925205038.db2.gz LKDWZOCGKNXOHO-UHFFFAOYSA-N 1 2 390.325 3.752 20 30 GHEDLO N#CC1(CC[NH+]2CCN(C(=O)c3ccccc3OC(F)F)CC2)CCCCC1 ZINC000411129151 926100973 /nfs/dbraw/zinc/10/09/73/926100973.db2.gz USJKRYLIZVUUEA-UHFFFAOYSA-N 1 2 391.462 3.910 20 30 GHEDLO C=CC[N@H+](Cc1cccc(C#N)c1)[C@@H](C)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000411195922 926194705 /nfs/dbraw/zinc/19/47/05/926194705.db2.gz TWWHEKGRDSGBDF-KRWDZBQOSA-N 1 2 391.471 3.735 20 30 GHEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@@H](C)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000411195922 926194713 /nfs/dbraw/zinc/19/47/13/926194713.db2.gz TWWHEKGRDSGBDF-KRWDZBQOSA-N 1 2 391.471 3.735 20 30 GHEDLO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000411195531 926194935 /nfs/dbraw/zinc/19/49/35/926194935.db2.gz SSZDBFWETSTPCB-UZLBHIALSA-N 1 2 395.459 3.611 20 30 GHEDLO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000411195531 926194938 /nfs/dbraw/zinc/19/49/38/926194938.db2.gz SSZDBFWETSTPCB-UZLBHIALSA-N 1 2 395.459 3.611 20 30 GHEDLO CCc1ccc2c(C[NH+]3CCN(c4ccc(C#N)cc4F)CC3)cc(=O)oc2c1 ZINC000725803094 926447707 /nfs/dbraw/zinc/44/77/07/926447707.db2.gz FOSNEVSYDCHKSE-UHFFFAOYSA-N 1 2 391.446 3.688 20 30 GHEDLO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000726253981 926613415 /nfs/dbraw/zinc/61/34/15/926613415.db2.gz OZVSPFMHZDLQBP-KRWDZBQOSA-N 1 2 394.475 3.501 20 30 GHEDLO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000726253981 926613419 /nfs/dbraw/zinc/61/34/19/926613419.db2.gz OZVSPFMHZDLQBP-KRWDZBQOSA-N 1 2 394.475 3.501 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)c1 ZINC000411994152 926986169 /nfs/dbraw/zinc/98/61/69/926986169.db2.gz ZCLXMTLYOYXEFX-HXUWFJFHSA-N 1 2 397.272 3.931 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)c1 ZINC000411994152 926986177 /nfs/dbraw/zinc/98/61/77/926986177.db2.gz ZCLXMTLYOYXEFX-HXUWFJFHSA-N 1 2 397.272 3.931 20 30 GHEDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000374290823 926987715 /nfs/dbraw/zinc/98/77/15/926987715.db2.gz GXHZKHGXRTXBFY-UHFFFAOYSA-N 1 2 380.448 3.834 20 30 GHEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)CC2)c1 ZINC000412016068 927009358 /nfs/dbraw/zinc/00/93/58/927009358.db2.gz VTYFUJLIVWYANX-MQNAVGNWSA-N 1 2 389.499 3.576 20 30 GHEDLO CC[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1occc1C ZINC000412028289 927028915 /nfs/dbraw/zinc/02/89/15/927028915.db2.gz RSHJTGROSGOCDS-UHFFFAOYSA-N 1 2 378.394 3.597 20 30 GHEDLO CC[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1occc1C ZINC000412028289 927028926 /nfs/dbraw/zinc/02/89/26/927028926.db2.gz RSHJTGROSGOCDS-UHFFFAOYSA-N 1 2 378.394 3.597 20 30 GHEDLO C=CCC[C@@H](NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000750292135 927538850 /nfs/dbraw/zinc/53/88/50/927538850.db2.gz QMSRSNWVSGTPFR-MAUKXSAKSA-N 1 2 399.457 3.733 20 30 GHEDLO C=CCC[C@@H](NC(=O)NCC[N@H+]1CCO[C@@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000750292135 927538858 /nfs/dbraw/zinc/53/88/58/927538858.db2.gz QMSRSNWVSGTPFR-MAUKXSAKSA-N 1 2 399.457 3.733 20 30 GHEDLO COc1c(C)c[nH+]c(CNC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1C ZINC000752008872 928549275 /nfs/dbraw/zinc/54/92/75/928549275.db2.gz AFGKSMTZGOFMAF-AZUAARDMSA-N 1 2 378.476 3.688 20 30 GHEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000467196717 928813247 /nfs/dbraw/zinc/81/32/47/928813247.db2.gz QHAXNDIBISAXMB-FQEVSTJZSA-N 1 2 380.536 3.818 20 30 GHEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000467196717 928813254 /nfs/dbraw/zinc/81/32/54/928813254.db2.gz QHAXNDIBISAXMB-FQEVSTJZSA-N 1 2 380.536 3.818 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000544439963 929184210 /nfs/dbraw/zinc/18/42/10/929184210.db2.gz GGNBTBLIUMAEKY-SOLBZPMBSA-N 1 2 389.565 3.606 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000544439963 929184215 /nfs/dbraw/zinc/18/42/15/929184215.db2.gz GGNBTBLIUMAEKY-SOLBZPMBSA-N 1 2 389.565 3.606 20 30 GHEDLO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C=NNC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753928475 929597209 /nfs/dbraw/zinc/59/72/09/929597209.db2.gz KPERAMJBZOSECS-HZPDHXFCSA-N 1 2 391.306 3.681 20 30 GHEDLO CC(C)c1nn(-c2ccccc2)c(Cl)c1C=NNC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753933248 929599974 /nfs/dbraw/zinc/59/99/74/929599974.db2.gz DMIORGYAYBIXER-IRXDYDNUSA-N 1 2 384.915 3.843 20 30 GHEDLO COc1cc(C#N)ccc1NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000545999693 929759775 /nfs/dbraw/zinc/75/97/75/929759775.db2.gz ULGQIZUPSMPYLU-HXUWFJFHSA-N 1 2 389.459 3.943 20 30 GHEDLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CC(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000759423102 930363994 /nfs/dbraw/zinc/36/39/94/930363994.db2.gz UCQASARMZWOHPN-BOURKTIISA-N 1 2 378.520 3.746 20 30 GHEDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CC(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000759423102 930364003 /nfs/dbraw/zinc/36/40/03/930364003.db2.gz UCQASARMZWOHPN-BOURKTIISA-N 1 2 378.520 3.746 20 30 GHEDLO C[C@H](C#N)Oc1ccccc1NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000780685843 930577251 /nfs/dbraw/zinc/57/72/51/930577251.db2.gz VTBOHNFXDJMAGY-MRXNPFEDSA-N 1 2 375.432 3.544 20 30 GHEDLO CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1Br ZINC000796706498 932037688 /nfs/dbraw/zinc/03/76/88/932037688.db2.gz XOKOQOKICJYKSJ-MRXNPFEDSA-N 1 2 394.313 3.810 20 30 GHEDLO CC(C)NC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Br ZINC000796706498 932037694 /nfs/dbraw/zinc/03/76/94/932037694.db2.gz XOKOQOKICJYKSJ-MRXNPFEDSA-N 1 2 394.313 3.810 20 30 GHEDLO CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000796713065 932039191 /nfs/dbraw/zinc/03/91/91/932039191.db2.gz AUADPGIPIUDJRS-MRXNPFEDSA-N 1 2 381.423 3.649 20 30 GHEDLO CC(C)NC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000796713065 932039199 /nfs/dbraw/zinc/03/91/99/932039199.db2.gz AUADPGIPIUDJRS-MRXNPFEDSA-N 1 2 381.423 3.649 20 30 GHEDLO CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000796714130 932039905 /nfs/dbraw/zinc/03/99/05/932039905.db2.gz CSIDTIVDCBNODI-QGZVFWFLSA-N 1 2 379.888 3.731 20 30 GHEDLO CC(C)NC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000796714130 932039909 /nfs/dbraw/zinc/03/99/09/932039909.db2.gz CSIDTIVDCBNODI-QGZVFWFLSA-N 1 2 379.888 3.731 20 30 GHEDLO C=C1CCC(CNC(=O)N2CCC3(C[C@H]3[N@H+](C)Cc3nccs3)CC2)CC1 ZINC000926539416 932221887 /nfs/dbraw/zinc/22/18/87/932221887.db2.gz KFRVWDDMZPQFCE-GOSISDBHSA-N 1 2 388.581 3.885 20 30 GHEDLO C=C1CCC(CNC(=O)N2CCC3(C[C@H]3[N@@H+](C)Cc3nccs3)CC2)CC1 ZINC000926539416 932221891 /nfs/dbraw/zinc/22/18/91/932221891.db2.gz KFRVWDDMZPQFCE-GOSISDBHSA-N 1 2 388.581 3.885 20 30 GHEDLO Cn1cc(C[N@@H+]2CC(C)(C)O[C@](C)(C(F)(F)F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000559312611 932593866 /nfs/dbraw/zinc/59/38/66/932593866.db2.gz YATHIFPDHZIECF-IBGZPJMESA-N 1 2 392.425 3.891 20 30 GHEDLO Cn1cc(C[N@H+]2CC(C)(C)O[C@](C)(C(F)(F)F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000559312611 932593873 /nfs/dbraw/zinc/59/38/73/932593873.db2.gz YATHIFPDHZIECF-IBGZPJMESA-N 1 2 392.425 3.891 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799190131 932906685 /nfs/dbraw/zinc/90/66/85/932906685.db2.gz KQEJQGBRVIQLNP-DLBZAZTESA-N 1 2 380.517 3.904 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799190131 932906689 /nfs/dbraw/zinc/90/66/89/932906689.db2.gz KQEJQGBRVIQLNP-DLBZAZTESA-N 1 2 380.517 3.904 20 30 GHEDLO C#CCOc1ccc(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)cc1 ZINC001116127016 933349745 /nfs/dbraw/zinc/34/97/45/933349745.db2.gz XHEZRHQNNKNFGH-UHFFFAOYSA-N 1 2 388.471 3.813 20 30 GHEDLO C=CCO[C@H]1CC[N@@H+](CC(=O)Nc2cc3oc4ccccc4c3cc2OC)C1 ZINC001116541480 933622522 /nfs/dbraw/zinc/62/25/22/933622522.db2.gz GLLZQVSKGVYRBC-HNNXBMFYSA-N 1 2 380.444 3.810 20 30 GHEDLO C=CCO[C@H]1CC[N@H+](CC(=O)Nc2cc3oc4ccccc4c3cc2OC)C1 ZINC001116541480 933622525 /nfs/dbraw/zinc/62/25/25/933622525.db2.gz GLLZQVSKGVYRBC-HNNXBMFYSA-N 1 2 380.444 3.810 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)[C@H](C)c1ccccc1F ZINC001121683935 934738358 /nfs/dbraw/zinc/73/83/58/934738358.db2.gz CHEHFBKDBBOHBR-QGZVFWFLSA-N 1 2 396.514 3.894 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCOC[C@@H](C2CCC2)C1 ZINC001121690334 934740429 /nfs/dbraw/zinc/74/04/29/934740429.db2.gz NZDXGXJFXBNCQK-VQTJNVASSA-N 1 2 398.555 3.549 20 30 GHEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCc2sccc2[C@H]1CC ZINC001122400343 934862283 /nfs/dbraw/zinc/86/22/83/934862283.db2.gz OIJWJBRFKCRFLJ-MRXNPFEDSA-N 1 2 382.537 3.754 20 30 GHEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCC[C@@H]1C1CCC1 ZINC001122626868 934925557 /nfs/dbraw/zinc/92/55/57/934925557.db2.gz FCRRKGGTWHYORC-AQNXPRMDSA-N 1 2 385.556 3.549 20 30 GHEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCC[C@@H]1C1CCC1 ZINC001122626868 934925561 /nfs/dbraw/zinc/92/55/61/934925561.db2.gz FCRRKGGTWHYORC-AQNXPRMDSA-N 1 2 385.556 3.549 20 30 GHEDLO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3cc(F)cc(F)c3F)CC2)cc1 ZINC001137875067 935838594 /nfs/dbraw/zinc/83/85/94/935838594.db2.gz GZVKDGXLWWRFAD-UHFFFAOYSA-N 1 2 388.393 3.762 20 30 GHEDLO CCOC(=O)n1nc2c(c1Nc1cccc3[nH]cc(CC#N)c31)C[NH2+]C2(C)C ZINC001170761142 1014947297 /nfs/dbraw/zinc/94/72/97/1014947297.db2.gz LPZMCHQSTIENMB-UHFFFAOYSA-N 1 2 378.436 3.517 20 30 GHEDLO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000468902203 1016191298 /nfs/dbraw/zinc/19/12/98/1016191298.db2.gz HMAWNNZNKMRABY-KRWDZBQOSA-N 1 2 386.455 3.560 20 30 GHEDLO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000468902203 1016191302 /nfs/dbraw/zinc/19/13/02/1016191302.db2.gz HMAWNNZNKMRABY-KRWDZBQOSA-N 1 2 386.455 3.560 20 30 GHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CC[C@@H](OCC(C)C)C2)c1C#N ZINC000469083974 1016440773 /nfs/dbraw/zinc/44/07/73/1016440773.db2.gz VVADTLZYVNRGHW-HXUWFJFHSA-N 1 2 394.519 3.651 20 30 GHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CC[C@@H](OCC(C)C)C2)c1C#N ZINC000469083974 1016440783 /nfs/dbraw/zinc/44/07/83/1016440783.db2.gz VVADTLZYVNRGHW-HXUWFJFHSA-N 1 2 394.519 3.651 20 30 GHEDLO CCOC(=O)[C@H]1CCCc2sc(NC(=O)c3cccc4[nH+]ccn43)c(C#N)c21 ZINC001154517153 1032157656 /nfs/dbraw/zinc/15/76/56/1032157656.db2.gz CLUYVPHDFDJERW-LBPRGKRZSA-N 1 2 394.456 3.503 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC001226909002 1032190599 /nfs/dbraw/zinc/19/05/99/1032190599.db2.gz NYIHXPGSQBPAHD-AWEZNQCLSA-N 1 2 375.787 3.912 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC001226909002 1032190616 /nfs/dbraw/zinc/19/06/16/1032190616.db2.gz NYIHXPGSQBPAHD-AWEZNQCLSA-N 1 2 375.787 3.912 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2c(O)cc(Br)cc2F)C1 ZINC001227587039 1032474705 /nfs/dbraw/zinc/47/47/05/1032474705.db2.gz FFLZPDQBPJDOCV-HNNXBMFYSA-N 1 2 391.240 3.819 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2c(O)cc(Br)cc2F)C1 ZINC001227587039 1032474709 /nfs/dbraw/zinc/47/47/09/1032474709.db2.gz FFLZPDQBPJDOCV-HNNXBMFYSA-N 1 2 391.240 3.819 20 30 GHEDLO C=CCn1cc(C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2(OC)CCC2)nn1 ZINC000926614497 1017292519 /nfs/dbraw/zinc/29/25/19/1017292519.db2.gz LHAVWNGCOBMMBZ-QGZVFWFLSA-N 1 2 380.414 3.883 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[NH+](Cc2cccc(Nc3cnccc3C#N)c2)CC1 ZINC001204316770 1032760185 /nfs/dbraw/zinc/76/01/85/1032760185.db2.gz QTYBKANHTHYJSU-UHFFFAOYSA-N 1 2 393.491 3.750 20 30 GHEDLO Fc1cncc(C[N@@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c1 ZINC000932945106 1018777011 /nfs/dbraw/zinc/77/70/11/1018777011.db2.gz RKCAVFGXBSLFRK-AOOOYVTPSA-N 1 2 378.238 3.824 20 30 GHEDLO Fc1cncc(C[N@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c1 ZINC000932945106 1018777024 /nfs/dbraw/zinc/77/70/24/1018777024.db2.gz RKCAVFGXBSLFRK-AOOOYVTPSA-N 1 2 378.238 3.824 20 30 GHEDLO C#CCOc1cccc(Cl)c1C[NH2+]Cc1cc(OC)c(OC)cc1OC ZINC000778151316 1018811698 /nfs/dbraw/zinc/81/16/98/1018811698.db2.gz KBLGNNFFFLXUCF-UHFFFAOYSA-N 1 2 375.852 3.668 20 30 GHEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000570965694 1019658289 /nfs/dbraw/zinc/65/82/89/1019658289.db2.gz LFIJVMADYHWHBH-UHFFFAOYSA-N 1 2 382.851 3.910 20 30 GHEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000570965694 1019658297 /nfs/dbraw/zinc/65/82/97/1019658297.db2.gz LFIJVMADYHWHBH-UHFFFAOYSA-N 1 2 382.851 3.910 20 30 GHEDLO C=CCC1(CNC(=O)NC[C@H]2C[N@H+](Cc3cccc(C)c3)CCO2)CCCC1 ZINC001228270060 1032873737 /nfs/dbraw/zinc/87/37/37/1032873737.db2.gz LAGAKBVWQCOVLD-NRFANRHFSA-N 1 2 385.552 3.632 20 30 GHEDLO C=CCC1(CNC(=O)NC[C@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)CCCC1 ZINC001228270060 1032873757 /nfs/dbraw/zinc/87/37/57/1032873757.db2.gz LAGAKBVWQCOVLD-NRFANRHFSA-N 1 2 385.552 3.632 20 30 GHEDLO C#CCCOc1ccc(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)cc1 ZINC000834459966 1021196318 /nfs/dbraw/zinc/19/63/18/1021196318.db2.gz RFABIKRMCUJKTB-NRFANRHFSA-N 1 2 389.455 3.712 20 30 GHEDLO C#CCCOc1ccc(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)cc1 ZINC000834459966 1021196326 /nfs/dbraw/zinc/19/63/26/1021196326.db2.gz RFABIKRMCUJKTB-NRFANRHFSA-N 1 2 389.455 3.712 20 30 GHEDLO C#CC[N@@H+](Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2)C1CCCC1 ZINC000835028577 1021785753 /nfs/dbraw/zinc/78/57/53/1021785753.db2.gz MSQFDLLGZXFXRS-UHFFFAOYSA-N 1 2 375.538 3.814 20 30 GHEDLO C#CC[N@H+](Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2)C1CCCC1 ZINC000835028577 1021785769 /nfs/dbraw/zinc/78/57/69/1021785769.db2.gz MSQFDLLGZXFXRS-UHFFFAOYSA-N 1 2 375.538 3.814 20 30 GHEDLO N#Cc1ccc(Cl)c(C[N@H+]2Cc3cncn3C[C@@H](COc3cccnc3)C2)c1 ZINC001140598716 1022041698 /nfs/dbraw/zinc/04/16/98/1022041698.db2.gz BBUKXNHTQRPBQQ-KRWDZBQOSA-N 1 2 393.878 3.514 20 30 GHEDLO N#Cc1ccc(Cl)c(C[N@@H+]2Cc3cncn3C[C@@H](COc3cccnc3)C2)c1 ZINC001140598716 1022041711 /nfs/dbraw/zinc/04/17/11/1022041711.db2.gz BBUKXNHTQRPBQQ-KRWDZBQOSA-N 1 2 393.878 3.514 20 30 GHEDLO COC(=O)[C@H]1CC[N@H+](Cc2sc(N)c(C#N)c2Cl)[C@H](c2ccccc2)C1 ZINC001141113059 1023529309 /nfs/dbraw/zinc/52/93/09/1023529309.db2.gz AXIRCVOWBAARPL-ZFWWWQNUSA-N 1 2 389.908 3.982 20 30 GHEDLO COC(=O)[C@H]1CC[N@@H+](Cc2sc(N)c(C#N)c2Cl)[C@H](c2ccccc2)C1 ZINC001141113059 1023529314 /nfs/dbraw/zinc/52/93/14/1023529314.db2.gz AXIRCVOWBAARPL-ZFWWWQNUSA-N 1 2 389.908 3.982 20 30 GHEDLO C[C@@H]1CC[N@H+](Cc2sc(N)c(C#N)c2Cl)C[C@@H]1NC(=O)OC(C)(C)C ZINC001141114037 1023530440 /nfs/dbraw/zinc/53/04/40/1023530440.db2.gz ZRKCTJRBRGLKFG-PWSUYJOCSA-N 1 2 384.933 3.590 20 30 GHEDLO C[C@@H]1CC[N@@H+](Cc2sc(N)c(C#N)c2Cl)C[C@@H]1NC(=O)OC(C)(C)C ZINC001141114037 1023530452 /nfs/dbraw/zinc/53/04/52/1023530452.db2.gz ZRKCTJRBRGLKFG-PWSUYJOCSA-N 1 2 384.933 3.590 20 30 GHEDLO COC(=O)c1ccc(N[NH+]=C(C)c2ccc(N3CCCC3)cc2O)c(OC)c1 ZINC000756897931 1023851592 /nfs/dbraw/zinc/85/15/92/1023851592.db2.gz VNLDUQSKOCGRSO-UHFFFAOYSA-N 1 2 383.448 3.624 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1Cc1c2ccccc2[nH]c1C(C)(C)C ZINC001138310122 1024616201 /nfs/dbraw/zinc/61/62/01/1024616201.db2.gz CGYHWFRLIOLNKK-HXUWFJFHSA-N 1 2 393.535 3.896 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1Cc1c2ccccc2[nH]c1C(C)(C)C ZINC001138310122 1024616205 /nfs/dbraw/zinc/61/62/05/1024616205.db2.gz CGYHWFRLIOLNKK-HXUWFJFHSA-N 1 2 393.535 3.896 20 30 GHEDLO C#CCOc1ccc(C[NH+]2CCN(Cc3ccccc3Cl)CC2)cc1OC ZINC001138345264 1024706069 /nfs/dbraw/zinc/70/60/69/1024706069.db2.gz BDWJIRWYOLIFLO-UHFFFAOYSA-N 1 2 384.907 3.678 20 30 GHEDLO C#CCOc1ccc(CN2CC[NH+](Cc3ccccc3Cl)CC2)cc1OC ZINC001138345264 1024706082 /nfs/dbraw/zinc/70/60/82/1024706082.db2.gz BDWJIRWYOLIFLO-UHFFFAOYSA-N 1 2 384.907 3.678 20 30 GHEDLO C#CCOc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1OC ZINC001138347787 1024710469 /nfs/dbraw/zinc/71/04/69/1024710469.db2.gz DYIUZWSELPXZCD-UHFFFAOYSA-N 1 2 384.907 3.678 20 30 GHEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(NCc2cnc3cccc(C)n23)[nH+]1 ZINC001162349071 1025721075 /nfs/dbraw/zinc/72/10/75/1025721075.db2.gz UWJKSAUSVMJOSG-NDAJGKTFSA-N 1 2 383.521 3.839 20 30 GHEDLO C#C[C@H]([NH2+]Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)[C@@H]1CCCO1 ZINC000839564614 1026062963 /nfs/dbraw/zinc/06/29/63/1026062963.db2.gz SBXFUSFLWJFWCM-HOTGVXAUSA-N 1 2 399.903 3.988 20 30 GHEDLO C#C[C@H]([NH2+]Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)[C@H]1CCCO1 ZINC000839564616 1026063728 /nfs/dbraw/zinc/06/37/28/1026063728.db2.gz SBXFUSFLWJFWCM-JKSUJKDBSA-N 1 2 399.903 3.988 20 30 GHEDLO COc1ccccc1C[NH+]1CCN(Cc2ccc(-c3cc(C#N)ccn3)cc2)CC1 ZINC001139407210 1026280293 /nfs/dbraw/zinc/28/02/93/1026280293.db2.gz UWNCSJFOONTPLF-UHFFFAOYSA-N 1 2 398.510 3.947 20 30 GHEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2cc3ccc(Br)cc3[nH]2)CC1 ZINC001139473777 1026336183 /nfs/dbraw/zinc/33/61/83/1026336183.db2.gz TYIKNFYVAZVNML-UHFFFAOYSA-N 1 2 390.281 3.599 20 30 GHEDLO COCC[N@H+](Cc1cccc(Cl)c1C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001139693996 1026545123 /nfs/dbraw/zinc/54/51/23/1026545123.db2.gz XZFNBBSZTATUAZ-INIZCTEOSA-N 1 2 393.915 3.669 20 30 GHEDLO COCC[N@@H+](Cc1cccc(Cl)c1C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001139693996 1026545131 /nfs/dbraw/zinc/54/51/31/1026545131.db2.gz XZFNBBSZTATUAZ-INIZCTEOSA-N 1 2 393.915 3.669 20 30 GHEDLO C=CCOC[C@H]1C[N@H+](Cc2cncc3ccccc32)Cc2nnn(CC3CC3)c21 ZINC001139896078 1026713014 /nfs/dbraw/zinc/71/30/14/1026713014.db2.gz QMPRAVMBSXHXRC-HXUWFJFHSA-N 1 2 389.503 3.538 20 30 GHEDLO C=CCOC[C@H]1C[N@@H+](Cc2cncc3ccccc32)Cc2nnn(CC3CC3)c21 ZINC001139896078 1026713028 /nfs/dbraw/zinc/71/30/28/1026713028.db2.gz QMPRAVMBSXHXRC-HXUWFJFHSA-N 1 2 389.503 3.538 20 30 GHEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1=S ZINC000840114103 1027221914 /nfs/dbraw/zinc/22/19/14/1027221914.db2.gz DZLUOECEECSLDZ-QRQLOZEOSA-N 1 2 399.564 3.635 20 30 GHEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1=S ZINC000840114103 1027221930 /nfs/dbraw/zinc/22/19/30/1027221930.db2.gz DZLUOECEECSLDZ-QRQLOZEOSA-N 1 2 399.564 3.635 20 30 GHEDLO CC(=O)N1CCCC[C@]12CCC[N@H+](Cc1ccc(Br)cc1C#N)C2 ZINC001141813384 1027346327 /nfs/dbraw/zinc/34/63/27/1027346327.db2.gz LFYMAUWTDZKTQP-LJQANCHMSA-N 1 2 390.325 3.688 20 30 GHEDLO CC(=O)N1CCCC[C@]12CCC[N@@H+](Cc1ccc(Br)cc1C#N)C2 ZINC001141813384 1027346340 /nfs/dbraw/zinc/34/63/40/1027346340.db2.gz LFYMAUWTDZKTQP-LJQANCHMSA-N 1 2 390.325 3.688 20 30 GHEDLO C=C(C)c1cccc(NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2Cc2ccccc2)c1 ZINC001210299374 1027435025 /nfs/dbraw/zinc/43/50/25/1027435025.db2.gz HWAVJLUQSLFBNZ-JOCHJYFZSA-N 1 2 378.520 3.657 20 30 GHEDLO C=C(C)c1cccc(NC(=O)NC[C@@H]2CN(C)CC[N@H+]2Cc2ccccc2)c1 ZINC001210299374 1027435034 /nfs/dbraw/zinc/43/50/34/1027435034.db2.gz HWAVJLUQSLFBNZ-JOCHJYFZSA-N 1 2 378.520 3.657 20 30 GHEDLO C=C(C)c1cccc(NC(=O)NC[C@H]2CN(C)CC[N@@H+]2Cc2ccccc2)c1 ZINC001210299375 1027435280 /nfs/dbraw/zinc/43/52/80/1027435280.db2.gz HWAVJLUQSLFBNZ-QFIPXVFZSA-N 1 2 378.520 3.657 20 30 GHEDLO C=C(C)c1cccc(NC(=O)NC[C@H]2CN(C)CC[N@H+]2Cc2ccccc2)c1 ZINC001210299375 1027435282 /nfs/dbraw/zinc/43/52/82/1027435282.db2.gz HWAVJLUQSLFBNZ-QFIPXVFZSA-N 1 2 378.520 3.657 20 30 GHEDLO N#Cc1ccc(Br)cc1CN1CC[NH+](Cc2ccccc2F)CC1 ZINC001141900725 1027621462 /nfs/dbraw/zinc/62/14/62/1027621462.db2.gz DAXYDXZMRLELRP-UHFFFAOYSA-N 1 2 388.284 3.778 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[NH+](Cc2ccc(Nc3ccncc3C#N)cc2)CC1 ZINC001214013021 1028506894 /nfs/dbraw/zinc/50/68/94/1028506894.db2.gz BDQVYPGNSTWSCE-UHFFFAOYSA-N 1 2 393.491 3.750 20 30 GHEDLO C#CC[C@H]1CCC[N@@H+](Cn2nc(Cc3ccc(OC)c(OC)c3)oc2=S)C1 ZINC000842628399 1029430491 /nfs/dbraw/zinc/43/04/91/1029430491.db2.gz BWTXDWMKNQUBSY-HNNXBMFYSA-N 1 2 387.505 3.506 20 30 GHEDLO C#CC[C@H]1CCC[N@H+](Cn2nc(Cc3ccc(OC)c(OC)c3)oc2=S)C1 ZINC000842628399 1029430502 /nfs/dbraw/zinc/43/05/02/1029430502.db2.gz BWTXDWMKNQUBSY-HNNXBMFYSA-N 1 2 387.505 3.506 20 30 GHEDLO C#CC[C@H]1CCC[N@@H+](Cn2nc(-c3cccc(OC)c3)n(CC=C)c2=S)C1 ZINC000842630208 1029433902 /nfs/dbraw/zinc/43/39/02/1029433902.db2.gz ZVRQHIKBKBHIBW-KRWDZBQOSA-N 1 2 382.533 3.968 20 30 GHEDLO C#CC[C@H]1CCC[N@H+](Cn2nc(-c3cccc(OC)c3)n(CC=C)c2=S)C1 ZINC000842630208 1029433907 /nfs/dbraw/zinc/43/39/07/1029433907.db2.gz ZVRQHIKBKBHIBW-KRWDZBQOSA-N 1 2 382.533 3.968 20 30 GHEDLO N#Cc1ccc(F)c(C[NH+]2CCC3(C[C@H](OCc4cccnc4)CO3)CC2)c1F ZINC001143169582 1029880074 /nfs/dbraw/zinc/88/00/74/1029880074.db2.gz KTZNRDWSDUPAHU-SFHVURJKSA-N 1 2 399.441 3.572 20 30 GHEDLO N#Cc1ccccc1Sc1ccc(NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc1 ZINC001218060686 1030748945 /nfs/dbraw/zinc/74/89/45/1030748945.db2.gz NZXOAPMVGZGCSA-MRXNPFEDSA-N 1 2 375.457 3.652 20 30 GHEDLO CC1(C#N)CCN(C(=O)[C@H](c2cccc(Br)c2)[NH+]2CCCC2)CC1 ZINC001152366268 1031208113 /nfs/dbraw/zinc/20/81/13/1031208113.db2.gz BBHSSUTWQKITNO-KRWDZBQOSA-N 1 2 390.325 3.738 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCC[C@]23CCN(CCC(F)(F)F)C3=O)c(Cl)c1 ZINC001277030965 1031332162 /nfs/dbraw/zinc/33/21/62/1031332162.db2.gz PAMSVMDWYNJACS-QGZVFWFLSA-N 1 2 385.817 3.731 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@]23CCN(CCC(F)(F)F)C3=O)c(Cl)c1 ZINC001277030965 1031332178 /nfs/dbraw/zinc/33/21/78/1031332178.db2.gz PAMSVMDWYNJACS-QGZVFWFLSA-N 1 2 385.817 3.731 20 30 GHEDLO COc1ccnc(O[C@@H]2CC[N@H+](Cc3ccc(Cl)c(Cl)c3)C2)c1C#N ZINC001225566977 1031483333 /nfs/dbraw/zinc/48/33/33/1031483333.db2.gz LVQARIMZHWIMTA-CYBMUJFWSA-N 1 2 378.259 3.922 20 30 GHEDLO COc1ccnc(O[C@@H]2CC[N@@H+](Cc3ccc(Cl)c(Cl)c3)C2)c1C#N ZINC001225566977 1031483348 /nfs/dbraw/zinc/48/33/48/1031483348.db2.gz LVQARIMZHWIMTA-CYBMUJFWSA-N 1 2 378.259 3.922 20 30 GHEDLO C=CCCC(C)(C)NC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC001226006460 1031737901 /nfs/dbraw/zinc/73/79/01/1031737901.db2.gz IDSNTDJUPLZLLC-UHFFFAOYSA-N 1 2 393.329 3.992 20 30 GHEDLO C#CCOc1ccc(C[NH2+]Cc2nc(N(C)C)n(-c3ccccc3)c2Cl)cc1 ZINC001205918217 1033636253 /nfs/dbraw/zinc/63/62/53/1033636253.db2.gz UMMZTIJSYDPABW-UHFFFAOYSA-N 1 2 394.906 3.894 20 30 GHEDLO N#Cc1c(Cl)nc2cccc(Cl)c2c1N[C@@H]1CCC[N@@H+](C2COC2)C1 ZINC001157587376 1033674545 /nfs/dbraw/zinc/67/45/45/1033674545.db2.gz IACCRWRFZRIELC-LLVKDONJSA-N 1 2 377.275 3.688 20 30 GHEDLO N#Cc1c(Cl)nc2cccc(Cl)c2c1N[C@@H]1CCC[N@H+](C2COC2)C1 ZINC001157587376 1033674553 /nfs/dbraw/zinc/67/45/53/1033674553.db2.gz IACCRWRFZRIELC-LLVKDONJSA-N 1 2 377.275 3.688 20 30 GHEDLO Cn1cc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@H](c3ccccc3)C2)cc1C#N ZINC001207106915 1034095109 /nfs/dbraw/zinc/09/51/09/1034095109.db2.gz XVZFWPUWJXTYBX-FQEVSTJZSA-N 1 2 380.492 3.691 20 30 GHEDLO Cn1cc(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@H](c3ccccc3)C2)cc1C#N ZINC001207106915 1034095114 /nfs/dbraw/zinc/09/51/14/1034095114.db2.gz XVZFWPUWJXTYBX-FQEVSTJZSA-N 1 2 380.492 3.691 20 30 GHEDLO Cc1ccc([C@@H](C#N)c2ccc(N3CC[C@@H]([NH+]4CCCC4)C(F)(F)C3)nn2)cc1 ZINC001158625956 1034208516 /nfs/dbraw/zinc/20/85/16/1034208516.db2.gz XFHKIWSXZYBTGP-UYAOXDASSA-N 1 2 397.473 3.750 20 30 GHEDLO N#Cc1ccccc1Oc1ccc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc1Cl ZINC001158862580 1034310572 /nfs/dbraw/zinc/31/05/72/1034310572.db2.gz ZIYNJQVXSUWMBM-OAHLLOKOSA-N 1 2 378.819 3.555 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2nc3cc(Cl)nc(Cl)c3[nH]2)C1 ZINC001231050907 1034365170 /nfs/dbraw/zinc/36/51/70/1034365170.db2.gz VKYIGLCHEVPQLZ-ZDUSSCGKSA-N 1 2 388.258 3.790 20 30 GHEDLO C=CCOC[C@H]1C[N@@H+](Cc2cc(C)c(C)cc2C)Cc2nnn(CC3CC3)c21 ZINC001231482804 1034626141 /nfs/dbraw/zinc/62/61/41/1034626141.db2.gz JARGACLFJUTZLU-OAQYLSRUSA-N 1 2 380.536 3.915 20 30 GHEDLO C=CCOC[C@H]1C[N@H+](Cc2cc(C)c(C)cc2C)Cc2nnn(CC3CC3)c21 ZINC001231482804 1034626152 /nfs/dbraw/zinc/62/61/52/1034626152.db2.gz JARGACLFJUTZLU-OAQYLSRUSA-N 1 2 380.536 3.915 20 30 GHEDLO Cc1ccc(CC#N)c(N[C@@H]2N=C(c3ccccc3)c3ccccc3NC2=O)[nH+]1 ZINC001159533582 1034647819 /nfs/dbraw/zinc/64/78/19/1034647819.db2.gz OTZYOTDQLVWBAJ-QFIPXVFZSA-N 1 2 381.439 3.684 20 30 GHEDLO CCOC(=O)n1nc2c(c1Nc1nc(Cl)cc(Cl)c1C#N)C[NH2+]C2(C)C ZINC001159662204 1034707528 /nfs/dbraw/zinc/70/75/28/1034707528.db2.gz KDUJQKUILQNHQZ-UHFFFAOYSA-N 1 2 395.250 3.543 20 30 GHEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1cc(Cl)ncc1C(F)(F)F)CC2 ZINC001231929733 1034996521 /nfs/dbraw/zinc/99/65/21/1034996521.db2.gz AYYVXGUZZKNRNB-UHFFFAOYSA-N 1 2 387.833 3.897 20 30 GHEDLO CCOC(=O)[C@H]1c2ccc(OC)cc2CC[N@H+]1CCCc1cccc(C#N)c1 ZINC001208860401 1035063434 /nfs/dbraw/zinc/06/34/34/1035063434.db2.gz LOAZVPGRPFBWPR-JOCHJYFZSA-N 1 2 378.472 3.662 20 30 GHEDLO CCOC(=O)[C@H]1c2ccc(OC)cc2CC[N@@H+]1CCCc1cccc(C#N)c1 ZINC001208860401 1035063445 /nfs/dbraw/zinc/06/34/45/1035063445.db2.gz LOAZVPGRPFBWPR-JOCHJYFZSA-N 1 2 378.472 3.662 20 30 GHEDLO N#CCc1cc[nH+]c(NCc2cncn2Cc2ccccc2Br)c1 ZINC001161521437 1035249558 /nfs/dbraw/zinc/24/95/58/1035249558.db2.gz LJSCPXGJWSALKO-UHFFFAOYSA-N 1 2 382.265 3.767 20 30 GHEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(-c2ccccc2C[NH+]2CCOCC2)n1 ZINC001241990292 1035780745 /nfs/dbraw/zinc/78/07/45/1035780745.db2.gz SWIVPSIQEGOUBE-AUVCNTQQSA-N 1 2 399.560 3.770 20 30 GHEDLO N#Cc1ccc2c(c1)nccc2-c1ccc(OCC[NH+]2CCOCC2)cc1F ZINC001244137251 1036391761 /nfs/dbraw/zinc/39/17/61/1036391761.db2.gz ZATCTYJBXDWYEQ-UHFFFAOYSA-N 1 2 377.419 3.624 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@@H]1C1CC[NH+](Cc2cc(C#N)ccc2O)CC1 ZINC001232677495 1038476468 /nfs/dbraw/zinc/47/64/68/1038476468.db2.gz DWRKFZBNWIYASA-LJQANCHMSA-N 1 2 385.508 3.875 20 30 GHEDLO N#Cc1cc(C[NH+]2CCC(Oc3ccc(F)cn3)CC2)ccc1Br ZINC001232897992 1038694097 /nfs/dbraw/zinc/69/40/97/1038694097.db2.gz WRSWMUYNRORSII-UHFFFAOYSA-N 1 2 390.256 3.898 20 30 GHEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3Cl)CC2)c1 ZINC001232992778 1038754347 /nfs/dbraw/zinc/75/43/47/1038754347.db2.gz CLHKXHCPTLEQKY-UHFFFAOYSA-N 1 2 396.800 3.827 20 30 GHEDLO O=C1C=C2C[N@H+](Cc3cnn(-c4cccc(C(F)(F)F)c4)c3)CC[C@@H]2S1 ZINC001233038700 1038794970 /nfs/dbraw/zinc/79/49/70/1038794970.db2.gz SQZUBBNZWDOKBD-INIZCTEOSA-N 1 2 379.407 3.665 20 30 GHEDLO O=C1C=C2C[N@@H+](Cc3cnn(-c4cccc(C(F)(F)F)c4)c3)CC[C@@H]2S1 ZINC001233038700 1038794979 /nfs/dbraw/zinc/79/49/79/1038794979.db2.gz SQZUBBNZWDOKBD-INIZCTEOSA-N 1 2 379.407 3.665 20 30 GHEDLO C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1ccc(N(C)C)c(C#N)c1F ZINC001233102703 1038882713 /nfs/dbraw/zinc/88/27/13/1038882713.db2.gz KFXRFGWKPXGTRU-RHSMWYFYSA-N 1 2 390.503 3.641 20 30 GHEDLO C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1ccc(N(C)C)c(C#N)c1F ZINC001233102703 1038882741 /nfs/dbraw/zinc/88/27/41/1038882741.db2.gz KFXRFGWKPXGTRU-RHSMWYFYSA-N 1 2 390.503 3.641 20 30 GHEDLO CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]Cc1ccn[nH]1 ZINC001253614437 1039725020 /nfs/dbraw/zinc/72/50/20/1039725020.db2.gz ONXRVOAYVSHFEN-OAQYLSRUSA-N 1 2 383.577 3.814 20 30 GHEDLO C=CCO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2nc(-c3ccc(F)cc3)cs2)C1 ZINC001254559012 1040329994 /nfs/dbraw/zinc/32/99/94/1040329994.db2.gz XSCNAKXMMSMAPB-CJNGLKHVSA-N 1 2 375.469 3.553 20 30 GHEDLO C=CCO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2nc(-c3ccc(F)cc3)cs2)C1 ZINC001254559012 1040330009 /nfs/dbraw/zinc/33/00/09/1040330009.db2.gz XSCNAKXMMSMAPB-CJNGLKHVSA-N 1 2 375.469 3.553 20 30 GHEDLO N#Cc1ccc(CSCC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC001462461871 1070271149 /nfs/dbraw/zinc/27/11/49/1070271149.db2.gz RFXNMVJYOXXRQU-FQEVSTJZSA-N 1 2 376.485 3.546 20 30 GHEDLO N#CCc1ccccc1C[N@H+]1Cc2ncn(CC3CC3)c2[C@H](COCC2CC2)C1 ZINC001235513673 1040970885 /nfs/dbraw/zinc/97/08/85/1040970885.db2.gz KMWYFGONCXDLGE-QFIPXVFZSA-N 1 2 390.531 3.885 20 30 GHEDLO N#CCc1ccccc1C[N@@H+]1Cc2ncn(CC3CC3)c2[C@H](COCC2CC2)C1 ZINC001235513673 1040970889 /nfs/dbraw/zinc/97/08/89/1040970889.db2.gz KMWYFGONCXDLGE-QFIPXVFZSA-N 1 2 390.531 3.885 20 30 GHEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3cc(Cl)c(Cl)cc3O)C2)CC1 ZINC001236793308 1041898551 /nfs/dbraw/zinc/89/85/51/1041898551.db2.gz KAQHTQCHCWOFTE-UHFFFAOYSA-N 1 2 385.291 3.919 20 30 GHEDLO COC(=O)c1ccc(C2C[NH+](Cc3ccc(C#N)c(Br)c3)C2)cc1 ZINC001236866195 1041934534 /nfs/dbraw/zinc/93/45/34/1041934534.db2.gz LPNDCITWHMREBC-UHFFFAOYSA-N 1 2 385.261 3.707 20 30 GHEDLO COC(=O)c1ccc(OC2CC[NH+](Cc3cc(C#N)c(F)cc3F)CC2)cc1 ZINC001237525866 1042251125 /nfs/dbraw/zinc/25/11/25/1042251125.db2.gz KMOLLDMRBSKEBB-UHFFFAOYSA-N 1 2 386.398 3.666 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@]12CC[N@H+](Cc1cc(C#N)c(F)cc1F)C2 ZINC001237526184 1042251443 /nfs/dbraw/zinc/25/14/43/1042251443.db2.gz ZVWDJXMKVLXOGI-HXUWFJFHSA-N 1 2 377.435 3.812 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@]12CC[N@@H+](Cc1cc(C#N)c(F)cc1F)C2 ZINC001237526184 1042251446 /nfs/dbraw/zinc/25/14/46/1042251446.db2.gz ZVWDJXMKVLXOGI-HXUWFJFHSA-N 1 2 377.435 3.812 20 30 GHEDLO N#Cc1cc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)c(F)cc1F ZINC001237529349 1042252828 /nfs/dbraw/zinc/25/28/28/1042252828.db2.gz ZALYPXFCRMWMLR-RBBKRZOGSA-N 1 2 399.441 3.682 20 30 GHEDLO N#Cc1cc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)c(F)cc1F ZINC001237529349 1042252832 /nfs/dbraw/zinc/25/28/32/1042252832.db2.gz ZALYPXFCRMWMLR-RBBKRZOGSA-N 1 2 399.441 3.682 20 30 GHEDLO Cc1nc([C@H]2C[C@@H]3CC[N@H+](Cc4cn5cc(C#N)ccc5n4)C[C@H]3O2)sc1C ZINC001237606381 1042278781 /nfs/dbraw/zinc/27/87/81/1042278781.db2.gz RJIZRWIKWIABIF-QXAKKESOSA-N 1 2 393.516 3.631 20 30 GHEDLO Cc1nc([C@H]2C[C@@H]3CC[N@@H+](Cc4cn5cc(C#N)ccc5n4)C[C@H]3O2)sc1C ZINC001237606381 1042278784 /nfs/dbraw/zinc/27/87/84/1042278784.db2.gz RJIZRWIKWIABIF-QXAKKESOSA-N 1 2 393.516 3.631 20 30 GHEDLO CCC(=O)N(c1ccccc1)C1CC[NH+](Cc2cn3cc(C#N)ccc3n2)CC1 ZINC001237609761 1042280538 /nfs/dbraw/zinc/28/05/38/1042280538.db2.gz WPGRAITVKMPAIW-UHFFFAOYSA-N 1 2 387.487 3.614 20 30 GHEDLO N#CC[C@H]1CCC[N@@H+](Cc2cc3cncc(I)c3o2)C1 ZINC001238258208 1042535109 /nfs/dbraw/zinc/53/51/09/1042535109.db2.gz CHJORIVUKIKHDW-LLVKDONJSA-N 1 2 381.217 3.558 20 30 GHEDLO N#CC[C@H]1CCC[N@H+](Cc2cc3cncc(I)c3o2)C1 ZINC001238258208 1042535112 /nfs/dbraw/zinc/53/51/12/1042535112.db2.gz CHJORIVUKIKHDW-LLVKDONJSA-N 1 2 381.217 3.558 20 30 GHEDLO C/C(=C\C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)C[NH+]1CCOCC1 ZINC001291990404 1043557046 /nfs/dbraw/zinc/55/70/46/1043557046.db2.gz IMMMRBCPVOMKHY-GHRIWEEISA-N 1 2 391.471 3.876 20 30 GHEDLO COC(=O)[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257016224 1043800484 /nfs/dbraw/zinc/80/04/84/1043800484.db2.gz YPQYRLLBPJWNKL-XPPIMPSXSA-N 1 2 387.483 3.830 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[C@H]([N@@H+]1CC[C@@H]3SC(=O)C=C3C1)C2 ZINC001257810711 1044191837 /nfs/dbraw/zinc/19/18/37/1044191837.db2.gz SHIXBRWIPSNTQN-FIKGOQFSSA-N 1 2 392.565 3.830 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[C@H]([N@H+]1CC[C@@H]3SC(=O)C=C3C1)C2 ZINC001257810711 1044191841 /nfs/dbraw/zinc/19/18/41/1044191841.db2.gz SHIXBRWIPSNTQN-FIKGOQFSSA-N 1 2 392.565 3.830 20 30 GHEDLO C=CCCCCCN(C)c1nnc(C(C)(C)C)n1CC1([NH+]2CCOCC2)CC1 ZINC001301168044 1046383279 /nfs/dbraw/zinc/38/32/79/1046383279.db2.gz KSNLMLIZGHCDMP-UHFFFAOYSA-N 1 2 389.588 3.623 20 30 GHEDLO C=CCN(C)c1nnc(C2CCCC2)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC001301295335 1046461127 /nfs/dbraw/zinc/46/11/27/1046461127.db2.gz IUBGPOHRGSLZLV-NRFANRHFSA-N 1 2 395.551 3.631 20 30 GHEDLO C[N@@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@@H](CC#N)C2)n1CCc1ccccc1 ZINC001263184943 1046625579 /nfs/dbraw/zinc/62/55/79/1046625579.db2.gz KFXJDPLKTIFZNI-LEWJYISDSA-N 1 2 392.551 3.808 20 30 GHEDLO C[N@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@@H](CC#N)C2)n1CCc1ccccc1 ZINC001263184943 1046625591 /nfs/dbraw/zinc/62/55/91/1046625591.db2.gz KFXJDPLKTIFZNI-LEWJYISDSA-N 1 2 392.551 3.808 20 30 GHEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC001263287435 1046682416 /nfs/dbraw/zinc/68/24/16/1046682416.db2.gz IHGWKNPUKZAGIE-GOSISDBHSA-N 1 2 397.571 3.681 20 30 GHEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCC[C@@H](c2cc(C(C)C)n[nH]2)C1 ZINC001263287435 1046682424 /nfs/dbraw/zinc/68/24/24/1046682424.db2.gz IHGWKNPUKZAGIE-GOSISDBHSA-N 1 2 397.571 3.681 20 30 GHEDLO N#Cc1ccc(C[NH+]2CC3(C2)CCN(C(=O)Cc2ccsc2)C3)cc1Cl ZINC001279471237 1047818024 /nfs/dbraw/zinc/81/80/24/1047818024.db2.gz VYGZVEPHXKXMHY-UHFFFAOYSA-N 1 2 385.920 3.550 20 30 GHEDLO N#Cc1ccc(C[NH+]2CC3(C2)CCN(C(=O)Cc2ccsc2)C3)c(Cl)c1 ZINC001280038052 1048059731 /nfs/dbraw/zinc/05/97/31/1048059731.db2.gz IHBUFOWFDISCNE-UHFFFAOYSA-N 1 2 385.920 3.550 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2CC2(C)CCC2)CC1 ZINC001286476334 1048336262 /nfs/dbraw/zinc/33/62/62/1048336262.db2.gz UFFWYTNBTRHROV-UHFFFAOYSA-N 1 2 383.927 3.544 20 30 GHEDLO C=CC1CCN(c2nnc(CC)n2Cc2ccc(N3CCC(C)CC3)[nH+]c2)CC1 ZINC001286659320 1048426709 /nfs/dbraw/zinc/42/67/09/1048426709.db2.gz ORUYHFUSXNVZDN-UHFFFAOYSA-N 1 2 394.567 3.923 20 30 GHEDLO O=C(C#Cc1ccc(C(F)(F)F)cc1)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001288268196 1049023617 /nfs/dbraw/zinc/02/36/17/1049023617.db2.gz WNPCJFPPQZJCKL-LJQANCHMSA-N 1 2 383.373 3.811 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@H](NC(=O)c3ccccc3)C2)c1 ZINC001307491243 1049330094 /nfs/dbraw/zinc/33/00/94/1049330094.db2.gz VSYUVJZVLBWDGG-SFHVURJKSA-N 1 2 398.304 3.715 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@H](NC(=O)c3ccccc3)C2)c1 ZINC001307491243 1049330101 /nfs/dbraw/zinc/33/01/01/1049330101.db2.gz VSYUVJZVLBWDGG-SFHVURJKSA-N 1 2 398.304 3.715 20 30 GHEDLO CCOc1ccccc1OCC[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC001307727186 1049541447 /nfs/dbraw/zinc/54/14/47/1049541447.db2.gz OQALEKDQQHMTHT-UHFFFAOYSA-N 1 2 385.895 3.811 20 30 GHEDLO C#CC[N@@H+](CC(=O)Nc1nc2c(s1)CCCC2)[C@@H]1CCCc2ccccc21 ZINC001308103066 1049848594 /nfs/dbraw/zinc/84/85/94/1049848594.db2.gz BIRXIKPRTCJZIF-LJQANCHMSA-N 1 2 379.529 3.973 20 30 GHEDLO C#CC[N@H+](CC(=O)Nc1nc2c(s1)CCCC2)[C@@H]1CCCc2ccccc21 ZINC001308103066 1049848605 /nfs/dbraw/zinc/84/86/05/1049848605.db2.gz BIRXIKPRTCJZIF-LJQANCHMSA-N 1 2 379.529 3.973 20 30 GHEDLO Cc1ccccc1-n1cc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)cn1 ZINC001308630079 1050040323 /nfs/dbraw/zinc/04/03/23/1050040323.db2.gz UMRFEWZLROBTCI-UHFFFAOYSA-N 1 2 375.451 3.514 20 30 GHEDLO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000755043668 1050249645 /nfs/dbraw/zinc/24/96/45/1050249645.db2.gz ZYRMFAKRKQXXAR-HNNXBMFYSA-N 1 2 394.313 3.810 20 30 GHEDLO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccc1Br ZINC000755043668 1050249656 /nfs/dbraw/zinc/24/96/56/1050249656.db2.gz ZYRMFAKRKQXXAR-HNNXBMFYSA-N 1 2 394.313 3.810 20 30 GHEDLO CSc1[nH]c(=O)c(C(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)cc1C#N ZINC001337483860 1052483516 /nfs/dbraw/zinc/48/35/16/1052483516.db2.gz MZOWKIYGQGWXBM-UHFFFAOYSA-N 1 2 382.489 3.537 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(CC)Cc1cccs1 ZINC001342305568 1053092656 /nfs/dbraw/zinc/09/26/56/1053092656.db2.gz ASXSXUZNZWAXPT-UHFFFAOYSA-N 1 2 384.553 3.645 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCO[C@@](C)(C2CC2)C1 ZINC001342709413 1053313112 /nfs/dbraw/zinc/31/31/12/1053313112.db2.gz YNWPXWPFHHANFT-DENIHFKCSA-N 1 2 398.555 3.692 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2Cc2ccccc2)nnc1N1CCC[C@H](C#N)C1 ZINC001343765552 1054007970 /nfs/dbraw/zinc/00/79/70/1054007970.db2.gz PNUIJAFILRVABV-NHCUHLMSSA-N 1 2 390.535 3.931 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2Cc2ccccc2)nnc1N1CCC[C@H](C#N)C1 ZINC001343765552 1054007984 /nfs/dbraw/zinc/00/79/84/1054007984.db2.gz PNUIJAFILRVABV-NHCUHLMSSA-N 1 2 390.535 3.931 20 30 GHEDLO C=C(C)CN(C)c1nnc([C@H](C)[N@H+](C)Cc2ccccc2)n1C[C@H]1CCOC1 ZINC001344430576 1054459177 /nfs/dbraw/zinc/45/91/77/1054459177.db2.gz CWNCECUGFUGVMX-AZUAARDMSA-N 1 2 383.540 3.520 20 30 GHEDLO C=C(C)CN(C)c1nnc([C@H](C)[N@@H+](C)Cc2ccccc2)n1C[C@H]1CCOC1 ZINC001344430576 1054459184 /nfs/dbraw/zinc/45/91/84/1054459184.db2.gz CWNCECUGFUGVMX-AZUAARDMSA-N 1 2 383.540 3.520 20 30 GHEDLO C=C1CCC(C(=O)N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC001354043452 1056276943 /nfs/dbraw/zinc/27/69/43/1056276943.db2.gz AONBBCDBCCLNSV-UHFFFAOYSA-N 1 2 382.426 3.976 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)cc1 ZINC001324047906 1057061216 /nfs/dbraw/zinc/06/12/16/1057061216.db2.gz LCPDIQSINPAPGW-SFHVURJKSA-N 1 2 389.499 3.883 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)cc1 ZINC001324047906 1057061220 /nfs/dbraw/zinc/06/12/20/1057061220.db2.gz LCPDIQSINPAPGW-SFHVURJKSA-N 1 2 389.499 3.883 20 30 GHEDLO Cc1cc(Br)cc(C=NNCCCn2cc[nH+]c2)c1OC(F)F ZINC000848417969 1057075519 /nfs/dbraw/zinc/07/55/19/1057075519.db2.gz ICEJLKZPZZNBEC-UHFFFAOYSA-N 1 2 387.228 3.569 20 30 GHEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3ccc(OCC#N)cc3)CC2)c1 ZINC001326427709 1057480728 /nfs/dbraw/zinc/48/07/28/1057480728.db2.gz AYUHZJJGVXQKFG-KRWDZBQOSA-N 1 2 394.475 3.508 20 30 GHEDLO C=CCNC(=O)Nc1ccc(NC(=O)c2c[nH+]ccc2Nc2ccccc2)cc1 ZINC001440893333 1058653324 /nfs/dbraw/zinc/65/33/24/1058653324.db2.gz PPNGSISGRQEWMU-UHFFFAOYSA-N 1 2 387.443 3.807 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@H](C2CCC2)C1 ZINC001338993987 1058917180 /nfs/dbraw/zinc/91/71/80/1058917180.db2.gz AEFPTKKCCMHKDE-FQEVSTJZSA-N 1 2 382.556 3.574 20 30 GHEDLO N#Cc1c2ccccc2[nH]c1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001450153049 1060542777 /nfs/dbraw/zinc/54/27/77/1060542777.db2.gz NBRUEYNGKPTPGX-UHFFFAOYSA-N 1 2 375.819 3.809 20 30 GHEDLO C=C(C)Cn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCOCC2(CC2)C1 ZINC001341902572 1060944273 /nfs/dbraw/zinc/94/42/73/1060944273.db2.gz IWPICACXBFNBPR-LJQANCHMSA-N 1 2 395.551 3.664 20 30 GHEDLO C=C(C)Cn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCOCC2(CC2)C1 ZINC001341902572 1060944277 /nfs/dbraw/zinc/94/42/77/1060944277.db2.gz IWPICACXBFNBPR-LJQANCHMSA-N 1 2 395.551 3.664 20 30 GHEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1C[C@@H]2CCCC[C@@H]2C1 ZINC001341906916 1060945587 /nfs/dbraw/zinc/94/55/87/1060945587.db2.gz HPLNLVHNFZOCMX-BGYRXZFFSA-N 1 2 382.556 3.574 20 30 GHEDLO Cc1cn2c([nH+]1)[C@H](Cn1c(CC3CCCC3)nnc1N(C)[C@H](C)CC#N)CCC2 ZINC001492628458 1061829891 /nfs/dbraw/zinc/82/98/91/1061829891.db2.gz GFDXKQYFVUJPJW-MJGOQNOKSA-N 1 2 395.555 3.832 20 30 GHEDLO N#Cc1c2ccccc2[nH]c1C(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC001455510631 1062197054 /nfs/dbraw/zinc/19/70/54/1062197054.db2.gz XJFNVJLEQXTGEQ-UHFFFAOYSA-N 1 2 395.466 3.871 20 30 GHEDLO N#Cc1ccc(F)c(C(=O)NCCc2cn(Cc3ccc(Cl)cc3)c[nH+]2)c1 ZINC001457270463 1063068351 /nfs/dbraw/zinc/06/83/51/1063068351.db2.gz WLEHZGDFKQOYPA-UHFFFAOYSA-N 1 2 382.826 3.568 20 30 GHEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC001459723693 1064187070 /nfs/dbraw/zinc/18/70/70/1064187070.db2.gz ODUCMTSWLWMCEK-SFHVURJKSA-N 1 2 396.922 3.797 20 30 GHEDLO C=CCC[C@@H]1CCCN1c1nnc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)n1CC1CC1 ZINC001351454033 1064455848 /nfs/dbraw/zinc/45/58/48/1064455848.db2.gz JCWJLKCFYIPFRF-HSALFYBXSA-N 1 2 385.556 3.549 20 30 GHEDLO C=CCC[C@@H]1CCCN1c1nnc([C@H]2C[N@H+]3CCCC[C@H]3CO2)n1CC1CC1 ZINC001351454033 1064455857 /nfs/dbraw/zinc/45/58/57/1064455857.db2.gz JCWJLKCFYIPFRF-HSALFYBXSA-N 1 2 385.556 3.549 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)CC1(c2ccccc2)CC1 ZINC001352496082 1065081381 /nfs/dbraw/zinc/08/13/81/1065081381.db2.gz ZAJIGUWRUPAPGD-UHFFFAOYSA-N 1 2 392.551 3.559 20 30 GHEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3ccc4c(C#N)c[nH]c4c3)CC2)c1 ZINC001464999019 1065318049 /nfs/dbraw/zinc/31/80/49/1065318049.db2.gz OHBOWSFWDNPAOP-INIZCTEOSA-N 1 2 388.471 3.567 20 30 GHEDLO C#C[C@H](C)N(C)c1nnc(C2CCCC2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001300302763 1065957020 /nfs/dbraw/zinc/95/70/20/1065957020.db2.gz DQUIYHRPDQPEAC-KRWDZBQOSA-N 1 2 380.540 3.683 20 30 GHEDLO CCOc1cc(N2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)ccc1[N+](=O)[O-] ZINC001473438041 1067557853 /nfs/dbraw/zinc/55/78/53/1067557853.db2.gz PQNDRUAMEXIUBN-UHFFFAOYSA-N 1 2 399.878 3.821 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCCCC)CC1 ZINC001359030531 1067659378 /nfs/dbraw/zinc/65/93/78/1067659378.db2.gz XXVGNBOUFDPOER-SFHVURJKSA-N 1 2 399.514 3.503 20 30 GHEDLO C[N@@H+](Cc1ccc(F)cc1C#N)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001460629511 1069042413 /nfs/dbraw/zinc/04/24/13/1069042413.db2.gz XDXFHYZEAORHSS-KRWDZBQOSA-N 1 2 383.250 3.876 20 30 GHEDLO C[N@H+](Cc1ccc(F)cc1C#N)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001460629511 1069042422 /nfs/dbraw/zinc/04/24/22/1069042422.db2.gz XDXFHYZEAORHSS-KRWDZBQOSA-N 1 2 383.250 3.876 20 30 GHEDLO C=C(Br)C[N@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC001460880841 1069249452 /nfs/dbraw/zinc/24/94/52/1069249452.db2.gz RCHRQRZSLAKPKR-AWEZNQCLSA-N 1 2 375.104 3.641 20 30 GHEDLO C=C(Br)C[N@@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC001460880841 1069249472 /nfs/dbraw/zinc/24/94/72/1069249472.db2.gz RCHRQRZSLAKPKR-AWEZNQCLSA-N 1 2 375.104 3.641 20 30 GHEDLO Cc1cc(C#N)cc(C)c1C[NH+]1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC001473147629 1073808353 /nfs/dbraw/zinc/80/83/53/1073808353.db2.gz PUHBDFMCFYUDHB-UHFFFAOYSA-N 1 2 385.870 3.926 20 30 GHEDLO C[N@H+](CCCCCCNC(=O)OC(C)(C)C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001473776968 1074136623 /nfs/dbraw/zinc/13/66/23/1074136623.db2.gz CVYBNASCXSICPY-UHFFFAOYSA-N 1 2 390.484 3.983 20 30 GHEDLO C[N@@H+](CCCCCCNC(=O)OC(C)(C)C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001473776968 1074136629 /nfs/dbraw/zinc/13/66/29/1074136629.db2.gz CVYBNASCXSICPY-UHFFFAOYSA-N 1 2 390.484 3.983 20 30 GHEDLO Fc1c(C[NH+]2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cccc1-c1nn[nH]n1 ZINC000826370289 608389040 /nfs/dbraw/zinc/38/90/40/608389040.db2.gz LWCPJQJCUDZYAE-UWVGGRQHSA-N 1 2 397.298 3.569 20 30 GHEDLO Cc1cccc([C@H](CNc2nc3cc(Cl)ccn3c2C#N)[NH+]2CCOCC2)c1 ZINC000584418009 834559515 /nfs/dbraw/zinc/55/95/15/834559515.db2.gz VDENZVRYSMVQEX-IBGZPJMESA-N 1 2 395.894 3.653 20 30 GHEDLO C=CCC[C@H](NC(=O)NCCc1cn(C)c[nH+]1)c1ccc(C(F)(F)F)cc1 ZINC000458591032 834645217 /nfs/dbraw/zinc/64/52/17/834645217.db2.gz YEUYTTSRBWHYOC-KRWDZBQOSA-N 1 2 380.414 3.988 20 30 GHEDLO N#Cc1cnc(C[NH2+][C@H](CC2CC2)c2cc(F)cc(Br)c2)nc1 ZINC000583861872 835161844 /nfs/dbraw/zinc/16/18/44/835161844.db2.gz JIZAPDCOWXNAIX-MRXNPFEDSA-N 1 2 375.245 3.881 20 30 GHEDLO C=CCOc1c(Cl)cc(C[NH+]2CCC(O)(C(F)(F)F)CC2)cc1OC ZINC000628234452 835362951 /nfs/dbraw/zinc/36/29/51/835362951.db2.gz AUSFBGPMWFJRPX-UHFFFAOYSA-N 1 2 379.806 3.803 20 30 GHEDLO N#CCCn1cc(C(=O)CN2CC[NH+](Cc3cccs3)CC2)c2ccccc21 ZINC000070755044 835370085 /nfs/dbraw/zinc/37/00/85/835370085.db2.gz RHTZOPJMQFUFBV-UHFFFAOYSA-N 1 2 392.528 3.617 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@](C)(C#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000612145648 835670585 /nfs/dbraw/zinc/67/05/85/835670585.db2.gz PWNGNNODJSVANH-YQVWRLOYSA-N 1 2 378.879 3.560 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)N2CCC[C@](C)(C#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000612145648 835670587 /nfs/dbraw/zinc/67/05/87/835670587.db2.gz PWNGNNODJSVANH-YQVWRLOYSA-N 1 2 378.879 3.560 20 30 GHEDLO C[N@H+](CCOCc1ccc(C#N)cc1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000584315058 835873560 /nfs/dbraw/zinc/87/35/60/835873560.db2.gz IKXXXFHEDCQPSZ-UHFFFAOYSA-N 1 2 392.286 3.952 20 30 GHEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000584315058 835873566 /nfs/dbraw/zinc/87/35/66/835873566.db2.gz IKXXXFHEDCQPSZ-UHFFFAOYSA-N 1 2 392.286 3.952 20 30 GHEDLO C[C@@](O)(C1CC[NH+](Cc2ccc(C#N)cc2Br)CC1)C(F)(F)F ZINC000613499314 836586840 /nfs/dbraw/zinc/58/68/40/836586840.db2.gz IBJCUKRHWNOZCS-OAHLLOKOSA-N 1 2 391.231 3.846 20 30 GHEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCc2c(Cl)cccc2C1 ZINC000133831053 836860014 /nfs/dbraw/zinc/86/00/14/836860014.db2.gz PWOODDSFSCSWSN-QGZVFWFLSA-N 1 2 388.858 3.935 20 30 GHEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000133831053 836860018 /nfs/dbraw/zinc/86/00/18/836860018.db2.gz PWOODDSFSCSWSN-QGZVFWFLSA-N 1 2 388.858 3.935 20 30 GHEDLO Cc1sc(NC(=O)C[NH+]2CCC(OCC3CCCC3)CC2)c(C#N)c1C ZINC000177483536 837963258 /nfs/dbraw/zinc/96/32/58/837963258.db2.gz UPMXTNNOXKYAOC-UHFFFAOYSA-N 1 2 375.538 3.846 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)c(Cl)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000547978096 838175124 /nfs/dbraw/zinc/17/51/24/838175124.db2.gz SFRDZYGCUDLFTG-ZWKOTPCHSA-N 1 2 375.806 3.665 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)c(Cl)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000547978096 838175131 /nfs/dbraw/zinc/17/51/31/838175131.db2.gz SFRDZYGCUDLFTG-ZWKOTPCHSA-N 1 2 375.806 3.665 20 30 GHEDLO Cn1cc[nH+]c1C[C@H](NC(=O)c1cc2ccccc2n1CC#N)c1ccccc1 ZINC000610304069 838268418 /nfs/dbraw/zinc/26/84/18/838268418.db2.gz IKFSJYOMIGEUPK-IBGZPJMESA-N 1 2 383.455 3.612 20 30 GHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000416096176 838537071 /nfs/dbraw/zinc/53/70/71/838537071.db2.gz HOLVSBSUDSACAH-GOSISDBHSA-N 1 2 380.398 3.688 20 30 GHEDLO CC(=O)NCC[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)Cc1ccsc1 ZINC000549148025 839021872 /nfs/dbraw/zinc/02/18/72/839021872.db2.gz SRWYCFNXFMDBSE-UHFFFAOYSA-N 1 2 396.434 3.637 20 30 GHEDLO CC(=O)NCC[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)Cc1ccsc1 ZINC000549148025 839021886 /nfs/dbraw/zinc/02/18/86/839021886.db2.gz SRWYCFNXFMDBSE-UHFFFAOYSA-N 1 2 396.434 3.637 20 30 GHEDLO Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000536302261 839207456 /nfs/dbraw/zinc/20/74/56/839207456.db2.gz JTLVSJCOGYPOEM-UHFFFAOYSA-N 1 2 382.489 3.852 20 30 GHEDLO CC(C)(C)OC(=O)C1CC[NH+](Cc2cc(C#N)ccc2Br)CC1 ZINC000331198264 839219202 /nfs/dbraw/zinc/21/92/02/839219202.db2.gz YYPOHSIDQDXKRU-UHFFFAOYSA-N 1 2 379.298 3.874 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+]2CC[C@@H](c3ccccc3)[C@@H]2C)c1=S ZINC000162746197 840341629 /nfs/dbraw/zinc/34/16/29/840341629.db2.gz PZMPNGOSHHTOKV-FUHWJXTLSA-N 1 2 392.532 3.893 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+]2CC[C@@H](c3ccccc3)[C@@H]2C)c1=S ZINC000162746197 840341640 /nfs/dbraw/zinc/34/16/40/840341640.db2.gz PZMPNGOSHHTOKV-FUHWJXTLSA-N 1 2 392.532 3.893 20 30 GHEDLO C[C@@](C#N)(NC(=O)C[NH+]1CCC(c2ccc(Cl)cc2Cl)CC1)C1CC1 ZINC000428725948 844539407 /nfs/dbraw/zinc/53/94/07/844539407.db2.gz ZWABZUXGJCAXRA-IBGZPJMESA-N 1 2 380.319 3.981 20 30 GHEDLO C=CCn1c(CCCc2cccs2)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000508802981 844559904 /nfs/dbraw/zinc/55/99/04/844559904.db2.gz UXCDICHBRASHKU-UHFFFAOYSA-N 1 2 397.548 3.616 20 30 GHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CCC(CCC#N)CC2)c(C)c1 ZINC000581367274 841172026 /nfs/dbraw/zinc/17/20/26/841172026.db2.gz QFUBMVAMGQXOTN-NRFANRHFSA-N 1 2 379.508 3.967 20 30 GHEDLO O=C(/C=C\c1c[nH+]c2ccccn12)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000255359477 842013521 /nfs/dbraw/zinc/01/35/21/842013521.db2.gz XXRXGULMEFDVJX-RAXLEYEMSA-N 1 2 380.469 3.947 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCN(C)c4ccccc4C3)n2)C1 ZINC000328812172 842094409 /nfs/dbraw/zinc/09/44/09/842094409.db2.gz BHUINLRQIRCBCE-MRXNPFEDSA-N 1 2 399.564 3.873 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCN(C)c4ccccc4C3)n2)C1 ZINC000328812172 842094423 /nfs/dbraw/zinc/09/44/23/842094423.db2.gz BHUINLRQIRCBCE-MRXNPFEDSA-N 1 2 399.564 3.873 20 30 GHEDLO Cc1cc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cnc1N1CCCC[C@H]1C ZINC000329335932 861297297 /nfs/dbraw/zinc/29/72/97/861297297.db2.gz LNBVXCFFAXXIPG-MRXNPFEDSA-N 1 2 382.512 3.917 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC2(CCCC2=O)CC1 ZINC000661958303 842395367 /nfs/dbraw/zinc/39/53/67/842395367.db2.gz KEVNXYJLWWQRSJ-MRXNPFEDSA-N 1 2 385.533 3.712 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000175950606 842448562 /nfs/dbraw/zinc/44/85/62/842448562.db2.gz OTXJLQWBONKTTL-FQEVSTJZSA-N 1 2 397.906 3.874 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000175950606 842448565 /nfs/dbraw/zinc/44/85/65/842448565.db2.gz OTXJLQWBONKTTL-FQEVSTJZSA-N 1 2 397.906 3.874 20 30 GHEDLO COCC[N@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)Cc1cccs1 ZINC000051283261 842503603 /nfs/dbraw/zinc/50/36/03/842503603.db2.gz WDWYWEOXFMMLMT-UHFFFAOYSA-N 1 2 385.533 3.760 20 30 GHEDLO COCC[N@@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)Cc1cccs1 ZINC000051283261 842503611 /nfs/dbraw/zinc/50/36/11/842503611.db2.gz WDWYWEOXFMMLMT-UHFFFAOYSA-N 1 2 385.533 3.760 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000512165985 842703570 /nfs/dbraw/zinc/70/35/70/842703570.db2.gz RWHUWYIPINZSQR-LXGFQCHUSA-N 1 2 386.536 3.624 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000512165985 842703577 /nfs/dbraw/zinc/70/35/77/842703577.db2.gz RWHUWYIPINZSQR-LXGFQCHUSA-N 1 2 386.536 3.624 20 30 GHEDLO CS(=O)(=O)c1cccc([C@@H]([NH2+]CC2(CC#N)CC2)c2cc(F)ccc2F)c1 ZINC000430741259 842913695 /nfs/dbraw/zinc/91/36/95/842913695.db2.gz IMHAHFDKAZMBKO-LJQANCHMSA-N 1 2 390.455 3.741 20 30 GHEDLO C=CCc1cc(C[N@@H+]2CCc3c(cnn3-c3ccccc3)C2)cc(OC)c1O ZINC000510536748 842923333 /nfs/dbraw/zinc/92/33/33/842923333.db2.gz FKZIXEYSDSPSJG-UHFFFAOYSA-N 1 2 375.472 3.873 20 30 GHEDLO C=CCc1cc(C[N@H+]2CCc3c(cnn3-c3ccccc3)C2)cc(OC)c1O ZINC000510536748 842923338 /nfs/dbraw/zinc/92/33/38/842923338.db2.gz FKZIXEYSDSPSJG-UHFFFAOYSA-N 1 2 375.472 3.873 20 30 GHEDLO C[NH+](C)Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2C#N)cc1Cl ZINC000481858978 843549929 /nfs/dbraw/zinc/54/99/29/843549929.db2.gz DLJQISZFSCAVRO-UHFFFAOYSA-N 1 2 384.288 3.727 20 30 GHEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1csc(Br)c1 ZINC000128695531 843570161 /nfs/dbraw/zinc/57/01/61/843570161.db2.gz VBOYSLXLXDFKIZ-NSHDSACASA-N 1 2 378.295 3.841 20 30 GHEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1csc(Br)c1 ZINC000128695531 843570169 /nfs/dbraw/zinc/57/01/69/843570169.db2.gz VBOYSLXLXDFKIZ-NSHDSACASA-N 1 2 378.295 3.841 20 30 GHEDLO CCN(CCC#N)Cc1cc(Br)ccc1C[N@H+](CC)CCC#N ZINC000433267074 843941937 /nfs/dbraw/zinc/94/19/37/843941937.db2.gz CPGKNHOBHKYKJU-UHFFFAOYSA-N 1 2 377.330 3.920 20 30 GHEDLO CCN(CCC#N)Cc1cc(Br)ccc1C[N@@H+](CC)CCC#N ZINC000433267074 843941938 /nfs/dbraw/zinc/94/19/38/843941938.db2.gz CPGKNHOBHKYKJU-UHFFFAOYSA-N 1 2 377.330 3.920 20 30 GHEDLO Cc1c(C#N)cccc1C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000509534937 843977876 /nfs/dbraw/zinc/97/78/76/843977876.db2.gz ZSZFBWSYUOECFC-UHFFFAOYSA-N 1 2 384.443 3.756 20 30 GHEDLO COc1cccc([C@@H]([NH2+]Cc2ccnc(C#N)c2)c2cc(F)ccc2OC)c1 ZINC000610956754 844910022 /nfs/dbraw/zinc/91/00/22/844910022.db2.gz AUTTYGNACLGEPS-JOCHJYFZSA-N 1 2 377.419 3.989 20 30 GHEDLO C[C@@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678392 861516567 /nfs/dbraw/zinc/51/65/67/861516567.db2.gz PSRAXCAUHRTEMC-INIZCTEOSA-N 1 2 385.471 3.528 20 30 GHEDLO C[C@@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678392 861516580 /nfs/dbraw/zinc/51/65/80/861516580.db2.gz PSRAXCAUHRTEMC-INIZCTEOSA-N 1 2 385.471 3.528 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000513377045 845336636 /nfs/dbraw/zinc/33/66/36/845336636.db2.gz RPMFCLRYUDQUHJ-UHFFFAOYSA-N 1 2 386.858 3.502 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCCN(c2ccccc2F)CC1 ZINC000513377045 845336641 /nfs/dbraw/zinc/33/66/41/845336641.db2.gz RPMFCLRYUDQUHJ-UHFFFAOYSA-N 1 2 386.858 3.502 20 30 GHEDLO N#C[C@H]1C[N@@H+](Cc2cnc(-c3ccccc3)s2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513666405 846233210 /nfs/dbraw/zinc/23/32/10/846233210.db2.gz MGTRAUJYBAFSRH-KSFYIVLOSA-N 1 2 386.480 3.656 20 30 GHEDLO N#C[C@H]1C[N@H+](Cc2cnc(-c3ccccc3)s2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513666405 846233216 /nfs/dbraw/zinc/23/32/16/846233216.db2.gz MGTRAUJYBAFSRH-KSFYIVLOSA-N 1 2 386.480 3.656 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@H](OC(F)F)C2)c1 ZINC000611577445 846380142 /nfs/dbraw/zinc/38/01/42/846380142.db2.gz JDVXMKXIVWPKEW-WMZOPIPTSA-N 1 2 379.451 3.642 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC[C@H](OC(F)F)C2)c1 ZINC000611577445 846380157 /nfs/dbraw/zinc/38/01/57/846380157.db2.gz JDVXMKXIVWPKEW-WMZOPIPTSA-N 1 2 379.451 3.642 20 30 GHEDLO CCOc1ccc(C[NH+]2CCN(C(=O)Nc3cccc(C#N)c3C)CC2)cc1 ZINC000178555615 846789585 /nfs/dbraw/zinc/78/95/85/846789585.db2.gz LFCHNBARDCBDQU-UHFFFAOYSA-N 1 2 378.476 3.615 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000137209294 847005377 /nfs/dbraw/zinc/00/53/77/847005377.db2.gz RAFLPROELCSHSG-MRXNPFEDSA-N 1 2 384.501 3.675 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000137209294 847005379 /nfs/dbraw/zinc/00/53/79/847005379.db2.gz RAFLPROELCSHSG-MRXNPFEDSA-N 1 2 384.501 3.675 20 30 GHEDLO N#Cc1ccc(C2=CCN(C(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)CC2)cc1 ZINC000502273430 847678634 /nfs/dbraw/zinc/67/86/34/847678634.db2.gz BIEOVRSDPPRWFJ-UHFFFAOYSA-N 1 2 397.482 3.802 20 30 GHEDLO COc1ccc(C[C@@H]2CC[N@@H+]2[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC001167641484 848760894 /nfs/dbraw/zinc/76/08/94/848760894.db2.gz IBWCMBOXXAQGNN-ZBFHGGJFSA-N 1 2 395.528 3.761 20 30 GHEDLO COc1ccc(C[C@@H]2CC[N@H+]2[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC001167641484 848760900 /nfs/dbraw/zinc/76/09/00/848760900.db2.gz IBWCMBOXXAQGNN-ZBFHGGJFSA-N 1 2 395.528 3.761 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000583130331 849138070 /nfs/dbraw/zinc/13/80/70/849138070.db2.gz LJSFIHHAUCLAJV-DYESRHJHSA-N 1 2 375.472 3.739 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000583130331 849138076 /nfs/dbraw/zinc/13/80/76/849138076.db2.gz LJSFIHHAUCLAJV-DYESRHJHSA-N 1 2 375.472 3.739 20 30 GHEDLO C=CCn1c(=S)n(C[N@@H+]2CCC[C@H]2C2CC2)nc1[C@H]1COc2ccccc2O1 ZINC000728563394 849656363 /nfs/dbraw/zinc/65/63/63/849656363.db2.gz TWYZPIGBDLLCOG-QFBILLFUSA-N 1 2 398.532 3.944 20 30 GHEDLO C=CCn1c(=S)n(C[N@H+]2CCC[C@H]2C2CC2)nc1[C@H]1COc2ccccc2O1 ZINC000728563394 849656367 /nfs/dbraw/zinc/65/63/67/849656367.db2.gz TWYZPIGBDLLCOG-QFBILLFUSA-N 1 2 398.532 3.944 20 30 GHEDLO C[C@@H](c1nc2ccccc2s1)N1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000604271930 862053820 /nfs/dbraw/zinc/05/38/20/862053820.db2.gz AWNSAFDDGIBYCD-KRWDZBQOSA-N 1 2 392.528 3.926 20 30 GHEDLO N#Cc1cccc(CNC(=O)C[N@@H+](Cc2cc(F)ccc2F)C2CCCC2)c1 ZINC000434905367 849886610 /nfs/dbraw/zinc/88/66/10/849886610.db2.gz IYBVDPSISURTGM-UHFFFAOYSA-N 1 2 383.442 3.897 20 30 GHEDLO N#Cc1cccc(CNC(=O)C[N@H+](Cc2cc(F)ccc2F)C2CCCC2)c1 ZINC000434905367 849886616 /nfs/dbraw/zinc/88/66/16/849886616.db2.gz IYBVDPSISURTGM-UHFFFAOYSA-N 1 2 383.442 3.897 20 30 GHEDLO C#Cc1ccc(C(=O)N(CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)cn1 ZINC000732116039 862075121 /nfs/dbraw/zinc/07/51/21/862075121.db2.gz WKVZASVVBLXXLU-UHFFFAOYSA-N 1 2 396.853 3.785 20 30 GHEDLO Cc1cn2cc(NC(=O)[C@@H]3C[C@H]4CCCC[C@@H]4N3c3ncccn3)ccc2[nH+]1 ZINC000329698876 862102542 /nfs/dbraw/zinc/10/25/42/862102542.db2.gz CVFLUTKWKSHRBR-NJAFHUGGSA-N 1 2 376.464 3.858 20 30 GHEDLO Cc1c(C[N@H+](CCC#N)CCN2CCOCC2)sc2c1cccc2Cl ZINC000506805913 850979958 /nfs/dbraw/zinc/97/99/58/850979958.db2.gz MDJCASHKFCNUCY-UHFFFAOYSA-N 1 2 377.941 3.911 20 30 GHEDLO Cc1c(C[N@@H+](CCC#N)CCN2CCOCC2)sc2c1cccc2Cl ZINC000506805913 850979966 /nfs/dbraw/zinc/97/99/66/850979966.db2.gz MDJCASHKFCNUCY-UHFFFAOYSA-N 1 2 377.941 3.911 20 30 GHEDLO CC[NH+](CC)[C@@H](C(=O)OCC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1 ZINC000732349259 862221162 /nfs/dbraw/zinc/22/11/62/862221162.db2.gz KQXCJGMGUMJUDG-HXUWFJFHSA-N 1 2 399.878 3.776 20 30 GHEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1c(C)oc(-n2cccc2)c1C#N ZINC000760623479 851356567 /nfs/dbraw/zinc/35/65/67/851356567.db2.gz OEDGOTBSUHGVTC-UHFFFAOYSA-N 1 2 379.464 3.562 20 30 GHEDLO C=CCOc1ccccc1C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000505479826 851493896 /nfs/dbraw/zinc/49/38/96/851493896.db2.gz JGRDJJRFDYLLED-GOSISDBHSA-N 1 2 380.488 3.779 20 30 GHEDLO C=CCN(C(=O)CCCn1cc[nH+]c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000604527948 862281409 /nfs/dbraw/zinc/28/14/09/862281409.db2.gz DFKKLSRWVGMLCF-UHFFFAOYSA-N 1 2 397.460 3.914 20 30 GHEDLO [O-]C(=[NH+][C@H]1c2ccccc2CC12CCOCC2)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329749487 862288525 /nfs/dbraw/zinc/28/85/25/862288525.db2.gz UILPGDSPQDFALQ-FQEVSTJZSA-N 1 2 380.492 3.597 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](Oc3ncccc3F)C2)c(Br)c1 ZINC000488967338 851899090 /nfs/dbraw/zinc/89/90/90/851899090.db2.gz OJCRTFSKPVSDOA-HNNXBMFYSA-N 1 2 390.256 3.898 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)c(Br)c1 ZINC000488967338 851899095 /nfs/dbraw/zinc/89/90/95/851899095.db2.gz OJCRTFSKPVSDOA-HNNXBMFYSA-N 1 2 390.256 3.898 20 30 GHEDLO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000490079173 852752744 /nfs/dbraw/zinc/75/27/44/852752744.db2.gz YPWWOTOAIWQJGJ-QGZVFWFLSA-N 1 2 375.856 3.680 20 30 GHEDLO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000490079173 852752749 /nfs/dbraw/zinc/75/27/49/852752749.db2.gz YPWWOTOAIWQJGJ-QGZVFWFLSA-N 1 2 375.856 3.680 20 30 GHEDLO CCOc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(C#N)cc3Cl)CC2)cc1 ZINC000426159159 852863756 /nfs/dbraw/zinc/86/37/56/852863756.db2.gz FIIVBWPJRLNLRO-UHFFFAOYSA-N 1 2 398.894 3.960 20 30 GHEDLO CC(C)(C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1cc(F)cc(C#N)c1 ZINC000516934447 853175125 /nfs/dbraw/zinc/17/51/25/853175125.db2.gz WPKIMYIDAWWPGK-WGSAOQKQSA-N 1 2 380.467 3.909 20 30 GHEDLO CC(=[NH+]Nc1ccc(Br)nc1)c1cccc(N2CCOCC2)c1 ZINC000732713360 862440724 /nfs/dbraw/zinc/44/07/24/862440724.db2.gz ZVBUVZMOZGAUDY-UHFFFAOYSA-N 1 2 375.270 3.517 20 30 GHEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCc3cc(Cl)cc(Cl)c3C2)cc1 ZINC000437532929 853233863 /nfs/dbraw/zinc/23/38/63/853233863.db2.gz DXKUIZMMORSBPL-INIZCTEOSA-N 1 2 377.271 3.663 20 30 GHEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCc3cc(Cl)cc(Cl)c3C2)cc1 ZINC000437532929 853233870 /nfs/dbraw/zinc/23/38/70/853233870.db2.gz DXKUIZMMORSBPL-INIZCTEOSA-N 1 2 377.271 3.663 20 30 GHEDLO C=CCc1cc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc(OC)c1OC ZINC000126727088 853321374 /nfs/dbraw/zinc/32/13/74/853321374.db2.gz PUMBCWMJMUBDNB-UHFFFAOYSA-N 1 2 395.503 3.748 20 30 GHEDLO C=CCn1c2nn(C[NH+]3CCCCCCC3)c(=S)n2c2ccccc2c1=O ZINC000007074927 853410845 /nfs/dbraw/zinc/41/08/45/853410845.db2.gz BMZFMRZEUIRYOS-UHFFFAOYSA-N 1 2 383.521 3.590 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(Cc3cc(Br)cs3)CC2)cc1 ZINC000506099865 853412411 /nfs/dbraw/zinc/41/24/11/853412411.db2.gz WXXHBCPHDNYZNB-UHFFFAOYSA-N 1 2 376.323 3.700 20 30 GHEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3ccc(S(=O)(=O)CC(F)F)cc3)n2c1 ZINC000151432126 853445635 /nfs/dbraw/zinc/44/56/35/853445635.db2.gz INVHBKBFNCMUFL-VMPITWQZSA-N 1 2 390.411 3.578 20 30 GHEDLO N#CCc1ccc(CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1 ZINC000571161133 853775201 /nfs/dbraw/zinc/77/52/01/853775201.db2.gz CORXLGJKZPDSHZ-FGZHOGPDSA-N 1 2 385.471 3.677 20 30 GHEDLO O=C(NC1CCC(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CC1)C1CC1 ZINC000330043229 862528336 /nfs/dbraw/zinc/52/83/36/862528336.db2.gz CJCQIDWQFITFLC-UHFFFAOYSA-N 1 2 398.551 3.851 20 30 GHEDLO N#CCCCn1cc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)c2ccccc21 ZINC000588071508 854093881 /nfs/dbraw/zinc/09/38/81/854093881.db2.gz BJWKCQGPINCNOC-UHFFFAOYSA-N 1 2 384.443 3.837 20 30 GHEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000441331507 854118097 /nfs/dbraw/zinc/11/80/97/854118097.db2.gz OIKHFSMNDTTYFJ-SJORKVTESA-N 1 2 396.922 3.917 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[C@@H](C4CCOCC4)C3)n2)C1 ZINC000328856390 854580243 /nfs/dbraw/zinc/58/02/43/854580243.db2.gz UFNFXTHACFKUCB-NVXWUHKLSA-N 1 2 392.569 3.669 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[C@@H](C4CCOCC4)C3)n2)C1 ZINC000328856390 854580250 /nfs/dbraw/zinc/58/02/50/854580250.db2.gz UFNFXTHACFKUCB-NVXWUHKLSA-N 1 2 392.569 3.669 20 30 GHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCCC4(CCOCC4)C3)n2)C1 ZINC000330119724 862588210 /nfs/dbraw/zinc/58/82/10/862588210.db2.gz GAEHRJZKTZBDNO-INIZCTEOSA-N 1 2 392.569 3.813 20 30 GHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCCC4(CCOCC4)C3)n2)C1 ZINC000330119724 862588217 /nfs/dbraw/zinc/58/82/17/862588217.db2.gz GAEHRJZKTZBDNO-INIZCTEOSA-N 1 2 392.569 3.813 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186238813 854777592 /nfs/dbraw/zinc/77/75/92/854777592.db2.gz UBWAMZWGOAWOOS-SFHVURJKSA-N 1 2 389.499 3.878 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186238813 854777600 /nfs/dbraw/zinc/77/76/00/854777600.db2.gz UBWAMZWGOAWOOS-SFHVURJKSA-N 1 2 389.499 3.878 20 30 GHEDLO CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000045499419 854942420 /nfs/dbraw/zinc/94/24/20/854942420.db2.gz KYKUXCSCVONVDV-HNNXBMFYSA-N 1 2 389.415 3.875 20 30 GHEDLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000330206092 862662178 /nfs/dbraw/zinc/66/21/78/862662178.db2.gz CZERZGHFLAWGJL-HXUWFJFHSA-N 1 2 382.508 3.817 20 30 GHEDLO N#Cc1ccc(NC(=O)C[NH2+][C@H](c2cccc(Cl)c2)c2ccccn2)cc1 ZINC000133770457 862685927 /nfs/dbraw/zinc/68/59/27/862685927.db2.gz RZXVKLSHDHHESD-OAQYLSRUSA-N 1 2 376.847 3.924 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cn3ccc4ccc(Cl)cc43)CC2)cc1 ZINC000108751375 856005462 /nfs/dbraw/zinc/00/54/62/856005462.db2.gz BQHTVLPIOZUCOO-UHFFFAOYSA-N 1 2 392.890 3.511 20 30 GHEDLO COc1ccc([C@@H](CO)[N@H+](C)CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)cc1 ZINC000733195872 862774189 /nfs/dbraw/zinc/77/41/89/862774189.db2.gz XGTZVDJMLXONLT-ZZAWEDPDSA-N 1 2 394.515 3.541 20 30 GHEDLO COc1ccc([C@@H](CO)[N@@H+](C)CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)cc1 ZINC000733195872 862774202 /nfs/dbraw/zinc/77/42/02/862774202.db2.gz XGTZVDJMLXONLT-ZZAWEDPDSA-N 1 2 394.515 3.541 20 30 GHEDLO N#Cc1ccc(S(=O)(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc1 ZINC000171779317 856261882 /nfs/dbraw/zinc/26/18/82/856261882.db2.gz KLUITIBGBALFDP-UHFFFAOYSA-N 1 2 378.457 3.559 20 30 GHEDLO CC1(C#N)CCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000507814133 856310310 /nfs/dbraw/zinc/31/03/10/856310310.db2.gz QPDGKYOWFWSNSG-KRWDZBQOSA-N 1 2 390.325 3.738 20 30 GHEDLO C=CCN(C(=O)Nc1c(C)cc(C)[nH+]c1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000573776847 856514983 /nfs/dbraw/zinc/51/49/83/856514983.db2.gz WPFAEQUSHPFOTR-QGZVFWFLSA-N 1 2 391.479 3.764 20 30 GHEDLO CC(C)(C)OC(=O)C1(C)CC[NH+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000592157365 856744744 /nfs/dbraw/zinc/74/47/44/856744744.db2.gz VUKMTCVAFUTHBG-UHFFFAOYSA-N 1 2 382.464 3.552 20 30 GHEDLO C[C@@H](O[NH+]=C(N)c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccccc1 ZINC000733303818 862847332 /nfs/dbraw/zinc/84/73/32/862847332.db2.gz DMUIGTSTRUOZEY-QGZVFWFLSA-N 1 2 389.455 3.930 20 30 GHEDLO CC[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(C#N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000592267973 857014483 /nfs/dbraw/zinc/01/44/83/857014483.db2.gz KDWWDOWARCGWLV-SJLPKXTDSA-N 1 2 387.846 3.703 20 30 GHEDLO CC[N@H+]1CC[C@@H](NC(=O)Nc2cccc(C#N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000592267973 857014490 /nfs/dbraw/zinc/01/44/90/857014490.db2.gz KDWWDOWARCGWLV-SJLPKXTDSA-N 1 2 387.846 3.703 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2ccc(C#N)cc2C)[C@H](C)C1 ZINC000508329767 857172427 /nfs/dbraw/zinc/17/24/27/857172427.db2.gz IHWADSKADWBWCO-GOSISDBHSA-N 1 2 377.488 3.612 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2ccc(C#N)cc2C)[C@H](C)C1 ZINC000508329767 857172431 /nfs/dbraw/zinc/17/24/31/857172431.db2.gz IHWADSKADWBWCO-GOSISDBHSA-N 1 2 377.488 3.612 20 30 GHEDLO COCC[N@H+](Cc1nn(-c2ccccc2)c2c1CCC2)Cc1ccc(C#N)cc1 ZINC000064568871 857186901 /nfs/dbraw/zinc/18/69/01/857186901.db2.gz FXPUSCDOJQCPQL-UHFFFAOYSA-N 1 2 386.499 3.881 20 30 GHEDLO COCC[N@@H+](Cc1nn(-c2ccccc2)c2c1CCC2)Cc1ccc(C#N)cc1 ZINC000064568871 857186906 /nfs/dbraw/zinc/18/69/06/857186906.db2.gz FXPUSCDOJQCPQL-UHFFFAOYSA-N 1 2 386.499 3.881 20 30 GHEDLO N#CCCn1ncc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1-c1ccccc1 ZINC000428215434 857216674 /nfs/dbraw/zinc/21/66/74/857216674.db2.gz LOKPCPADOMDKQI-UHFFFAOYSA-N 1 2 382.427 3.902 20 30 GHEDLO Cc1ccc(C[C@@H](C)NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000520911799 857397513 /nfs/dbraw/zinc/39/75/13/857397513.db2.gz JEYRGAQOIUAKPQ-HXUWFJFHSA-N 1 2 390.531 3.634 20 30 GHEDLO CC(C)(C)OC(=O)C1([NH2+]CCC(=O)Nc2sccc2C#N)CCCCCC1 ZINC000593062347 862911297 /nfs/dbraw/zinc/91/12/97/862911297.db2.gz HUHGMBOQXJUTLV-UHFFFAOYSA-N 1 2 391.537 3.973 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)NCC2(C#N)CCCC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000593392749 857566060 /nfs/dbraw/zinc/56/60/60/857566060.db2.gz ZZSYUEWKFLVXKB-WMZOPIPTSA-N 1 2 394.441 3.622 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)NCC2(C#N)CCCC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000593392749 857566070 /nfs/dbraw/zinc/56/60/70/857566070.db2.gz ZZSYUEWKFLVXKB-WMZOPIPTSA-N 1 2 394.441 3.622 20 30 GHEDLO O=C(NCC#Cc1ccccc1)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000521163572 857691733 /nfs/dbraw/zinc/69/17/33/857691733.db2.gz VFMUVRCTQJKONB-HXUWFJFHSA-N 1 2 399.897 3.794 20 30 GHEDLO O=C(NCC#Cc1ccccc1)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000521163572 857691735 /nfs/dbraw/zinc/69/17/35/857691735.db2.gz VFMUVRCTQJKONB-HXUWFJFHSA-N 1 2 399.897 3.794 20 30 GHEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000672781618 857706557 /nfs/dbraw/zinc/70/65/57/857706557.db2.gz VSMWFWHRWRGARN-UHFFFAOYSA-N 1 2 381.524 3.568 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594026527 857843641 /nfs/dbraw/zinc/84/36/41/857843641.db2.gz LJWMJXYTWKPSIB-SJLPKXTDSA-N 1 2 387.549 3.910 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594026527 857843648 /nfs/dbraw/zinc/84/36/48/857843648.db2.gz LJWMJXYTWKPSIB-SJLPKXTDSA-N 1 2 387.549 3.910 20 30 GHEDLO C=C(C)[C@H](CC(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1)OCC ZINC000543024575 857925968 /nfs/dbraw/zinc/92/59/68/857925968.db2.gz VECPHYSGGWHIHG-ZWOKBUDYSA-N 1 2 384.442 3.727 20 30 GHEDLO C=C(C)[C@H](CC(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1)OCC ZINC000543024575 857925975 /nfs/dbraw/zinc/92/59/75/857925975.db2.gz VECPHYSGGWHIHG-ZWOKBUDYSA-N 1 2 384.442 3.727 20 30 GHEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)C2(c3ccc(F)cc3F)CCC2)CCO1 ZINC000330339378 862989080 /nfs/dbraw/zinc/98/90/80/862989080.db2.gz WOXYSNYKAVTTCL-KDOFPFPSSA-N 1 2 375.419 3.997 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@]2(C#N)CC23CCCC3)[C@H](C)C1 ZINC001128412668 858265245 /nfs/dbraw/zinc/26/52/45/858265245.db2.gz ZZILGBLVWNYJIR-WZONZLPQSA-N 1 2 381.520 3.592 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@]2(C#N)CC23CCCC3)[C@H](C)C1 ZINC001128412668 858265251 /nfs/dbraw/zinc/26/52/51/858265251.db2.gz ZZILGBLVWNYJIR-WZONZLPQSA-N 1 2 381.520 3.592 20 30 GHEDLO Cc1[nH+]c2c(n1[C@@H]1CCN(CC(=O)NC(=O)NC3CCCCC3)C1)CCCC2 ZINC000330346090 863029882 /nfs/dbraw/zinc/02/98/82/863029882.db2.gz GABBIQVWKCHWSL-QGZVFWFLSA-N 1 2 387.528 3.520 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H](CC#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000595572720 858556694 /nfs/dbraw/zinc/55/66/94/858556694.db2.gz MGDOAJXOMWMMNJ-CCKFTAQKSA-N 1 2 392.906 3.950 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)N2CCC[C@H](CC#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000595572720 858556698 /nfs/dbraw/zinc/55/66/98/858556698.db2.gz MGDOAJXOMWMMNJ-CCKFTAQKSA-N 1 2 392.906 3.950 20 30 GHEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH2+][C@H](C)c2cscn2)c1C#N ZINC000595669235 858642642 /nfs/dbraw/zinc/64/26/42/858642642.db2.gz UKKBZNAZFNPFNT-CYBMUJFWSA-N 1 2 397.479 3.851 20 30 GHEDLO N#Cc1cccc(C2([NH2+]Cc3nc(-c4ccccc4F)no3)CCOCC2)c1 ZINC000595770574 858665579 /nfs/dbraw/zinc/66/55/79/858665579.db2.gz YMDVFDWZIGJATD-UHFFFAOYSA-N 1 2 378.407 3.543 20 30 GHEDLO CC(C)(C)c1ncc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000067787739 858711243 /nfs/dbraw/zinc/71/12/43/858711243.db2.gz NQGXBVYILXBASD-UHFFFAOYSA-N 1 2 382.533 3.660 20 30 GHEDLO CC(C)(C)c1ncc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000067787739 858711247 /nfs/dbraw/zinc/71/12/47/858711247.db2.gz NQGXBVYILXBASD-UHFFFAOYSA-N 1 2 382.533 3.660 20 30 GHEDLO Cc1ccsc1-c1nnc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)o1 ZINC000543174220 858731773 /nfs/dbraw/zinc/73/17/73/858731773.db2.gz VOBYXHPEEHDWJE-UHFFFAOYSA-N 1 2 393.472 3.581 20 30 GHEDLO Cc1ccsc1-c1nnc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)o1 ZINC000543174220 858731778 /nfs/dbraw/zinc/73/17/78/858731778.db2.gz VOBYXHPEEHDWJE-UHFFFAOYSA-N 1 2 393.472 3.581 20 30 GHEDLO CCOC(=O)c1c(C)[nH]c(C(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c1C ZINC000543176273 858736951 /nfs/dbraw/zinc/73/69/51/858736951.db2.gz ZZUWGQDASTXKSA-UHFFFAOYSA-N 1 2 379.460 3.527 20 30 GHEDLO CCOC(=O)c1c(C)[nH]c(C(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1C ZINC000543176273 858736957 /nfs/dbraw/zinc/73/69/57/858736957.db2.gz ZZUWGQDASTXKSA-UHFFFAOYSA-N 1 2 379.460 3.527 20 30 GHEDLO COC(=O)C[C@](C)([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccccn1 ZINC000429685273 859005759 /nfs/dbraw/zinc/00/57/59/859005759.db2.gz LGZZOTXDLBUTGB-IBGZPJMESA-N 1 2 376.378 3.520 20 30 GHEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000596732476 859031384 /nfs/dbraw/zinc/03/13/84/859031384.db2.gz JOTQPGPUSYQVST-SJORKVTESA-N 1 2 394.475 3.581 20 30 GHEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000596732476 859031391 /nfs/dbraw/zinc/03/13/91/859031391.db2.gz JOTQPGPUSYQVST-SJORKVTESA-N 1 2 394.475 3.581 20 30 GHEDLO C=CC[N@@H+](Cc1cccc2c(Br)cccc12)[C@@H]1CCS(=O)(=O)C1 ZINC000429330223 859049004 /nfs/dbraw/zinc/04/90/04/859049004.db2.gz FKZBXTUSKPQDKN-OAHLLOKOSA-N 1 2 394.334 3.777 20 30 GHEDLO C=CC[N@H+](Cc1cccc2c(Br)cccc12)[C@@H]1CCS(=O)(=O)C1 ZINC000429330223 859049014 /nfs/dbraw/zinc/04/90/14/859049014.db2.gz FKZBXTUSKPQDKN-OAHLLOKOSA-N 1 2 394.334 3.777 20 30 GHEDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)[C@H](C)CO1 ZINC000596726662 859057063 /nfs/dbraw/zinc/05/70/63/859057063.db2.gz KQBFUYUPBXWWDA-IAGOWNOFSA-N 1 2 394.475 3.581 20 30 GHEDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)[C@H](C)CO1 ZINC000596726662 859057071 /nfs/dbraw/zinc/05/70/71/859057071.db2.gz KQBFUYUPBXWWDA-IAGOWNOFSA-N 1 2 394.475 3.581 20 30 GHEDLO COCC[N@H+](CC(=O)N[C@@H](C)c1ccc(Cl)cc1)Cc1ccc(C#N)cc1 ZINC000069072116 859329143 /nfs/dbraw/zinc/32/91/43/859329143.db2.gz UBMNBMFKRCGQSI-INIZCTEOSA-N 1 2 385.895 3.537 20 30 GHEDLO COCC[N@@H+](CC(=O)N[C@@H](C)c1ccc(Cl)cc1)Cc1ccc(C#N)cc1 ZINC000069072116 859329153 /nfs/dbraw/zinc/32/91/53/859329153.db2.gz UBMNBMFKRCGQSI-INIZCTEOSA-N 1 2 385.895 3.537 20 30 GHEDLO C=CC[N@@H+](CC(=O)NCc1c(C)nn(-c2ccccc2)c1C)Cc1cccs1 ZINC000195664983 859395250 /nfs/dbraw/zinc/39/52/50/859395250.db2.gz LZVSZMWUYXTMTP-UHFFFAOYSA-N 1 2 394.544 3.855 20 30 GHEDLO C=CC[N@H+](CC(=O)NCc1c(C)nn(-c2ccccc2)c1C)Cc1cccs1 ZINC000195664983 859395259 /nfs/dbraw/zinc/39/52/59/859395259.db2.gz LZVSZMWUYXTMTP-UHFFFAOYSA-N 1 2 394.544 3.855 20 30 GHEDLO CC(C)C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1Br ZINC000483534853 859445274 /nfs/dbraw/zinc/44/52/74/859445274.db2.gz TWPYZYHNOXPSIK-LJQANCHMSA-N 1 2 392.341 3.716 20 30 GHEDLO CC(C)C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1Br ZINC000483534853 859445280 /nfs/dbraw/zinc/44/52/80/859445280.db2.gz TWPYZYHNOXPSIK-LJQANCHMSA-N 1 2 392.341 3.716 20 30 GHEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cc(F)cc(Br)c3)C2)nc1 ZINC000428779376 859465624 /nfs/dbraw/zinc/46/56/24/859465624.db2.gz LCUWVQYQSNMDGG-MRXNPFEDSA-N 1 2 376.229 3.508 20 30 GHEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cc(F)cc(Br)c3)C2)nc1 ZINC000428779376 859465630 /nfs/dbraw/zinc/46/56/30/859465630.db2.gz LCUWVQYQSNMDGG-MRXNPFEDSA-N 1 2 376.229 3.508 20 30 GHEDLO O=[N+]([O-])c1cc(C=[NH+]OCc2cccc3nsnc32)ccc1N1CCCC1 ZINC000764533153 859488028 /nfs/dbraw/zinc/48/80/28/859488028.db2.gz IUFGKQLIDOVZRG-UHFFFAOYSA-N 1 2 383.433 3.750 20 30 GHEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CC[C@H](C(F)F)C2)c1C#N ZINC000611179725 859634220 /nfs/dbraw/zinc/63/42/20/859634220.db2.gz IMRDIUHSMYNYCG-AWEZNQCLSA-N 1 2 390.409 3.630 20 30 GHEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CC[C@H](C(F)F)C2)c1C#N ZINC000611179725 859634224 /nfs/dbraw/zinc/63/42/24/859634224.db2.gz IMRDIUHSMYNYCG-AWEZNQCLSA-N 1 2 390.409 3.630 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)c2cc3ccccc3n2CC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000611217864 859653424 /nfs/dbraw/zinc/65/34/24/859653424.db2.gz PWZDUAZMLWFTSU-GHTZIAJQSA-N 1 2 394.425 3.618 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)c2cc3ccccc3n2CC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000611217864 859653426 /nfs/dbraw/zinc/65/34/26/859653426.db2.gz PWZDUAZMLWFTSU-GHTZIAJQSA-N 1 2 394.425 3.618 20 30 GHEDLO N#Cc1c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)sc2c1CCCC2 ZINC000070691744 859909938 /nfs/dbraw/zinc/90/99/38/859909938.db2.gz VEULNRAGOZKREI-UHFFFAOYSA-N 1 2 393.428 3.845 20 30 GHEDLO Cc1cccc(NC(=S)N[NH+]=Cc2ccc(N3CCOCC3)c(F)c2)c1C ZINC000727254772 860006499 /nfs/dbraw/zinc/00/64/99/860006499.db2.gz XSMUCIAGRWLQBC-UHFFFAOYSA-N 1 2 386.496 3.600 20 30 GHEDLO N#Cc1ccc(NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1Cl ZINC000123944146 860162738 /nfs/dbraw/zinc/16/27/38/860162738.db2.gz UAVYEOWGTQKZKD-UHFFFAOYSA-N 1 2 379.851 3.821 20 30 GHEDLO C[C@@](C#N)(NC(=O)C[NH+]1CCC(F)(c2ccccc2C(F)(F)F)CC1)C1CC1 ZINC000499937940 860224417 /nfs/dbraw/zinc/22/44/17/860224417.db2.gz IGWUNFDJZLEJPU-SFHVURJKSA-N 1 2 397.416 3.774 20 30 GHEDLO N#Cc1ccc(N2CCC[C@@H]([NH+]3CC(c4nc5ccccc5s4)C3)C2=O)cc1 ZINC000329313780 860333644 /nfs/dbraw/zinc/33/36/44/860333644.db2.gz ATZORVLNCJKOBN-LJQANCHMSA-N 1 2 388.496 3.763 20 30 GHEDLO CC1(C)C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)[C@@H]2COC[C@H]2O1 ZINC000593698800 860903582 /nfs/dbraw/zinc/90/35/82/860903582.db2.gz XEPGARPCOYJHMS-FGZHOGPDSA-N 1 2 378.472 3.515 20 30 GHEDLO CC1(C)C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)[C@@H]2COC[C@H]2O1 ZINC000593698800 860903588 /nfs/dbraw/zinc/90/35/88/860903588.db2.gz XEPGARPCOYJHMS-FGZHOGPDSA-N 1 2 378.472 3.515 20 30 GHEDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000329013505 860948750 /nfs/dbraw/zinc/94/87/50/860948750.db2.gz FJUMPMPGXXVHHF-UXHICEINSA-N 1 2 382.508 3.824 20 30 GHEDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000329013505 860948764 /nfs/dbraw/zinc/94/87/64/860948764.db2.gz FJUMPMPGXXVHHF-UXHICEINSA-N 1 2 382.508 3.824 20 30 GHEDLO C=CCOc1c(Cl)cc(CNc2ccc[nH+]c2N2CCOCC2)cc1OC ZINC000623471720 861101097 /nfs/dbraw/zinc/10/10/97/861101097.db2.gz OKRKZEJVUUMWJD-UHFFFAOYSA-N 1 2 389.883 3.757 20 30 GHEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ncc(C2CCCCC2)s1 ZINC000329234428 861180346 /nfs/dbraw/zinc/18/03/46/861180346.db2.gz HTGNYPSIYMKHPP-GOEBONIOSA-N 1 2 378.542 3.531 20 30 GHEDLO C#CC[C@H](NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000281756803 863363000 /nfs/dbraw/zinc/36/30/00/863363000.db2.gz CHQJQRWKMNHXPD-CTNGQTDRSA-N 1 2 376.504 3.873 20 30 GHEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000594012747 863739713 /nfs/dbraw/zinc/73/97/13/863739713.db2.gz KZIVYFWAZSOYJS-KRWDZBQOSA-N 1 2 376.504 3.676 20 30 GHEDLO COc1ccc(C[N@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)cc1OC ZINC000606933733 863917743 /nfs/dbraw/zinc/91/77/43/863917743.db2.gz IYDTVNXOPXJWGT-UHFFFAOYSA-N 1 2 391.471 3.887 20 30 GHEDLO COc1ccc(C[N@@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)cc1OC ZINC000606933733 863917750 /nfs/dbraw/zinc/91/77/50/863917750.db2.gz IYDTVNXOPXJWGT-UHFFFAOYSA-N 1 2 391.471 3.887 20 30 GHEDLO CCN(C(=O)CO[NH+]=C(N)c1ccc(OC)cc1)c1cccc2ccccc21 ZINC000071965262 864249321 /nfs/dbraw/zinc/24/93/21/864249321.db2.gz ZHHOGJDCHKNBAU-UHFFFAOYSA-N 1 2 377.444 3.538 20 30 GHEDLO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2csc(N(C(C)=O)C3CC3)n2)c1 ZINC000734511063 864269380 /nfs/dbraw/zinc/26/93/80/864269380.db2.gz VTGOFDQZZFZKSB-GOSISDBHSA-N 1 2 384.505 3.629 20 30 GHEDLO C=CC[C@@H](NC(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1)c1ccncc1 ZINC000734682388 864380637 /nfs/dbraw/zinc/38/06/37/864380637.db2.gz COBVBUPIFBOWSJ-XMSQKQJNSA-N 1 2 394.519 3.796 20 30 GHEDLO C=CC[C@@H](NC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)c1ccncc1 ZINC000734682891 864381419 /nfs/dbraw/zinc/38/14/19/864381419.db2.gz HBIDYYAHNGQRQG-RWKBYAJOSA-N 1 2 376.504 3.739 20 30 GHEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000121261768 864429831 /nfs/dbraw/zinc/42/98/31/864429831.db2.gz ZXJQWUFEZMMXTP-IBGZPJMESA-N 1 2 389.459 3.893 20 30 GHEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000121261768 864429840 /nfs/dbraw/zinc/42/98/40/864429840.db2.gz ZXJQWUFEZMMXTP-IBGZPJMESA-N 1 2 389.459 3.893 20 30 GHEDLO N#Cc1ccccc1COc1cccc(CNc2ccc(Cn3cc[nH+]c3)cn2)c1 ZINC000508473204 864479981 /nfs/dbraw/zinc/47/99/81/864479981.db2.gz TYYMVQUQCKSEJV-UHFFFAOYSA-N 1 2 395.466 3.811 20 30 GHEDLO Cn1cc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c(C(C)(C)C)n1 ZINC000475332155 864796463 /nfs/dbraw/zinc/79/64/63/864796463.db2.gz GJGHFYPZXCJMQZ-LJQANCHMSA-N 1 2 385.943 3.753 20 30 GHEDLO COc1cc(OC)cc(N2CCC[N@H+](Cc3ccc(Cl)cc3C#N)CC2)c1 ZINC000480563163 864871850 /nfs/dbraw/zinc/87/18/50/864871850.db2.gz KMNYLYZYMRDESY-UHFFFAOYSA-N 1 2 385.895 3.941 20 30 GHEDLO COc1cc(OC)cc(N2CCC[N@@H+](Cc3ccc(Cl)cc3C#N)CC2)c1 ZINC000480563163 864871866 /nfs/dbraw/zinc/87/18/66/864871866.db2.gz KMNYLYZYMRDESY-UHFFFAOYSA-N 1 2 385.895 3.941 20 30 GHEDLO CCc1ccc([C@@H](C#N)NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)cc1 ZINC000554790463 864915981 /nfs/dbraw/zinc/91/59/81/864915981.db2.gz SCEOWUKLKOHNDH-RTWAWAEBSA-N 1 2 379.529 3.720 20 30 GHEDLO C=CCc1ccccc1OC[C@@H](O)Cn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000193006948 865110782 /nfs/dbraw/zinc/11/07/82/865110782.db2.gz PIXQSEAOSNNSRH-AWEZNQCLSA-N 1 2 377.366 3.619 20 30 GHEDLO Cc1cc(C)c(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000063798822 865406543 /nfs/dbraw/zinc/40/65/43/865406543.db2.gz KCJLOOZVXGSFRK-UHFFFAOYSA-N 1 2 376.504 3.511 20 30 GHEDLO C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCCn1cc[nH+]c1 ZINC000156676416 865500667 /nfs/dbraw/zinc/50/06/67/865500667.db2.gz OFQHKBRUQKEUJE-UHFFFAOYSA-N 1 2 395.276 3.573 20 30 GHEDLO C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000555256027 865809634 /nfs/dbraw/zinc/80/96/34/865809634.db2.gz SGODASFVFYXCLK-UHFFFAOYSA-N 1 2 391.519 3.669 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2[C@@H](O)C(F)(F)F)c(Br)c1 ZINC000481144456 865879609 /nfs/dbraw/zinc/87/96/09/865879609.db2.gz QAMGFSLHGFQXCZ-UONOGXRCSA-N 1 2 377.204 3.598 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](O)C(F)(F)F)c(Br)c1 ZINC000481144456 865879630 /nfs/dbraw/zinc/87/96/30/865879630.db2.gz QAMGFSLHGFQXCZ-UONOGXRCSA-N 1 2 377.204 3.598 20 30 GHEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1ccc(C#N)cc1Br ZINC000481148016 865888544 /nfs/dbraw/zinc/88/85/44/865888544.db2.gz WBDHMGXLAGRZCF-SJORKVTESA-N 1 2 378.314 3.542 20 30 GHEDLO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1ccc(C#N)cc1Br ZINC000481148016 865888554 /nfs/dbraw/zinc/88/85/54/865888554.db2.gz WBDHMGXLAGRZCF-SJORKVTESA-N 1 2 378.314 3.542 20 30 GHEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3cc(C)cc(C#N)c3)CC2)c1 ZINC000455983374 865949157 /nfs/dbraw/zinc/94/91/57/865949157.db2.gz IUUTYVDECVCXLP-QGZVFWFLSA-N 1 2 378.476 3.786 20 30 GHEDLO CN(C)c1ccc(Cl)cc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000609930126 866172972 /nfs/dbraw/zinc/17/29/72/866172972.db2.gz JSMIRURYZAVYQW-UHFFFAOYSA-N 1 2 397.910 3.627 20 30 GHEDLO C[NH+](C)c1ccc(N2CCC(N=Nc3nc4cc(F)c(F)cc4[nH]3)CC2)cc1 ZINC000741458927 866527434 /nfs/dbraw/zinc/52/74/34/866527434.db2.gz RERLZFMOFHFUHQ-UHFFFAOYSA-N 1 2 384.434 3.975 20 30 GHEDLO C=C(C)[C@H](CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)OCC ZINC000534423814 866774555 /nfs/dbraw/zinc/77/45/55/866774555.db2.gz IMBXJBQULQXNEW-MJGOQNOKSA-N 1 2 382.907 3.931 20 30 GHEDLO C=C(C)[C@H](CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)OCC ZINC000534423814 866774566 /nfs/dbraw/zinc/77/45/66/866774566.db2.gz IMBXJBQULQXNEW-MJGOQNOKSA-N 1 2 382.907 3.931 20 30 GHEDLO N#Cc1ccc(OC(F)F)c(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000534523896 866943769 /nfs/dbraw/zinc/94/37/69/866943769.db2.gz TUPMFWFOHCFACJ-UHFFFAOYSA-N 1 2 392.431 3.571 20 30 GHEDLO Cc1cccn2cc(CC(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)[nH+]c12 ZINC000523376148 867159838 /nfs/dbraw/zinc/15/98/38/867159838.db2.gz IHEJZCZWFDXVER-UHFFFAOYSA-N 1 2 386.377 3.648 20 30 GHEDLO Cn1cc(C[N@H+](C)CC#Cc2ccc(OC(F)(F)F)cc2)c(C(F)(F)F)n1 ZINC000155165463 867780321 /nfs/dbraw/zinc/78/03/21/867780321.db2.gz RABFOXCVYFBOFV-UHFFFAOYSA-N 1 2 391.315 3.821 20 30 GHEDLO Cn1cc(C[N@@H+](C)CC#Cc2ccc(OC(F)(F)F)cc2)c(C(F)(F)F)n1 ZINC000155165463 867780331 /nfs/dbraw/zinc/78/03/31/867780331.db2.gz RABFOXCVYFBOFV-UHFFFAOYSA-N 1 2 391.315 3.821 20 30 GHEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000054570738 882129292 /nfs/dbraw/zinc/12/92/92/882129292.db2.gz FAYZLKFBNANCON-UHFFFAOYSA-N 1 2 379.420 3.508 20 30 GHEDLO C=CC[N@H+](Cc1ccc(OC)cc1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000054570738 882129295 /nfs/dbraw/zinc/12/92/95/882129295.db2.gz FAYZLKFBNANCON-UHFFFAOYSA-N 1 2 379.420 3.508 20 30 GHEDLO N#Cc1c(C#N)c2c(nc1NCc1cc[nH+]c(N3CCCC3)c1)CCCCCC2 ZINC000479928472 868740820 /nfs/dbraw/zinc/74/08/20/868740820.db2.gz TXTIMOYFCHQZGB-UHFFFAOYSA-N 1 2 386.503 3.513 20 30 GHEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)CC1 ZINC000744366064 868783516 /nfs/dbraw/zinc/78/35/16/868783516.db2.gz ABZJFNHSUBOLRK-UHFFFAOYSA-N 1 2 389.521 3.514 20 30 GHEDLO CC[C@](C)([NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)c1nccs1 ZINC000744404192 868810904 /nfs/dbraw/zinc/81/09/04/868810904.db2.gz JNWSIVWASVRBHK-XOBRGWDASA-N 1 2 377.473 3.595 20 30 GHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCc2cc(C#N)ccc2F)c(C)c1 ZINC000440867423 869054456 /nfs/dbraw/zinc/05/44/56/869054456.db2.gz YBVNSYWTJVLKEP-NRFANRHFSA-N 1 2 391.450 3.751 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)Nc2ccc(F)c(C#N)c2)[C@H](C)C1 ZINC000440978282 869503445 /nfs/dbraw/zinc/50/34/45/869503445.db2.gz KJGWOAHGCJIYTF-MRXNPFEDSA-N 1 2 396.466 3.834 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)Nc2ccc(F)c(C#N)c2)[C@H](C)C1 ZINC000440978282 869503451 /nfs/dbraw/zinc/50/34/51/869503451.db2.gz KJGWOAHGCJIYTF-MRXNPFEDSA-N 1 2 396.466 3.834 20 30 GHEDLO Cn1cc(C[N@H+](C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1C#N ZINC000191177174 882376380 /nfs/dbraw/zinc/37/63/80/882376380.db2.gz XWWLMGLLCPLFNB-UHFFFAOYSA-N 1 2 384.789 3.639 20 30 GHEDLO Cn1cc(C[N@@H+](C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1C#N ZINC000191177174 882376398 /nfs/dbraw/zinc/37/63/98/882376398.db2.gz XWWLMGLLCPLFNB-UHFFFAOYSA-N 1 2 384.789 3.639 20 30 GHEDLO COCCOc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)cc1 ZINC000446919334 870708840 /nfs/dbraw/zinc/70/88/40/870708840.db2.gz SFOJEUYDYMWDNG-UHFFFAOYSA-N 1 2 385.895 3.559 20 30 GHEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000249681058 870881412 /nfs/dbraw/zinc/88/14/12/870881412.db2.gz BJDJDIQCKGALFB-YOEHRIQHSA-N 1 2 378.314 3.594 20 30 GHEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000249681058 870881421 /nfs/dbraw/zinc/88/14/21/870881421.db2.gz BJDJDIQCKGALFB-YOEHRIQHSA-N 1 2 378.314 3.594 20 30 GHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCN(c2cccc3cnccc32)C[C@H]1C ZINC000447384887 871513721 /nfs/dbraw/zinc/51/37/21/871513721.db2.gz NLRGSPORPSLKLZ-MSOLQXFVSA-N 1 2 399.498 3.644 20 30 GHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCN(c2cccc3cnccc32)C[C@H]1C ZINC000447384887 871513739 /nfs/dbraw/zinc/51/37/39/871513739.db2.gz NLRGSPORPSLKLZ-MSOLQXFVSA-N 1 2 399.498 3.644 20 30 GHEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCN(c2cccc3cnccc32)C[C@H]1C ZINC000447388904 871519980 /nfs/dbraw/zinc/51/99/80/871519980.db2.gz XWBOEGAZOJZESX-MSOLQXFVSA-N 1 2 399.498 3.644 20 30 GHEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCN(c2cccc3cnccc32)C[C@H]1C ZINC000447388904 871519984 /nfs/dbraw/zinc/51/99/84/871519984.db2.gz XWBOEGAZOJZESX-MSOLQXFVSA-N 1 2 399.498 3.644 20 30 GHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H](C)c1cccc(C#N)c1 ZINC000462190182 871756268 /nfs/dbraw/zinc/75/62/68/871756268.db2.gz RPJFLKMJFCEONO-GOSISDBHSA-N 1 2 376.504 3.822 20 30 GHEDLO C#CCOc1ccccc1NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000775606252 871850400 /nfs/dbraw/zinc/85/04/00/871850400.db2.gz MTVVTNOETRLIBU-KRWDZBQOSA-N 1 2 379.460 3.736 20 30 GHEDLO CCc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)o1 ZINC000477997358 872301659 /nfs/dbraw/zinc/30/16/59/872301659.db2.gz CNWRFIDYIHEIBD-UZLBHIALSA-N 1 2 386.517 3.961 20 30 GHEDLO CCc1ccc([C@@H]2C[C@H](C)CC[N@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)o1 ZINC000477997358 872301679 /nfs/dbraw/zinc/30/16/79/872301679.db2.gz CNWRFIDYIHEIBD-UZLBHIALSA-N 1 2 386.517 3.961 20 30 GHEDLO C#CC[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000763545920 872516197 /nfs/dbraw/zinc/51/61/97/872516197.db2.gz JMZIKJSEIQUKMN-HBMCJLEFSA-N 1 2 383.442 3.774 20 30 GHEDLO C#CC[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000763545920 872516207 /nfs/dbraw/zinc/51/62/07/872516207.db2.gz JMZIKJSEIQUKMN-HBMCJLEFSA-N 1 2 383.442 3.774 20 30 GHEDLO Cc1[nH]c2ccc(Cl)cc2c1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000478177466 872628361 /nfs/dbraw/zinc/62/83/61/872628361.db2.gz KMWZSZNOPWFDCL-UHFFFAOYSA-N 1 2 392.890 3.959 20 30 GHEDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2ccc(C(F)(F)F)c(C#N)n2)cc1 ZINC000443432626 872664530 /nfs/dbraw/zinc/66/45/30/872664530.db2.gz ADPQJQNAUBCHDT-GOSISDBHSA-N 1 2 390.409 3.766 20 30 GHEDLO Cc1nc(NC(=O)C[NH+]2CCC(CC#N)CC2)sc1Cc1ccc(C)cc1 ZINC000541023640 872739631 /nfs/dbraw/zinc/73/96/31/872739631.db2.gz FHEUICNGGBQSBN-UHFFFAOYSA-N 1 2 382.533 3.915 20 30 GHEDLO C#CC[N@@H+](CC(OCC)OCC)[C@H]1CCOc2ccc(Br)cc21 ZINC000767787443 872846423 /nfs/dbraw/zinc/84/64/23/872846423.db2.gz JMKNKPFKADMRDE-INIZCTEOSA-N 1 2 382.298 3.607 20 30 GHEDLO C#CC[N@H+](CC(OCC)OCC)[C@H]1CCOc2ccc(Br)cc21 ZINC000767787443 872846427 /nfs/dbraw/zinc/84/64/27/872846427.db2.gz JMKNKPFKADMRDE-INIZCTEOSA-N 1 2 382.298 3.607 20 30 GHEDLO Cc1ccccc1C[N@@H+]1CCO[C@@H](c2noc(Cc3ccccc3CC#N)n2)C1 ZINC000867180974 873185626 /nfs/dbraw/zinc/18/56/26/873185626.db2.gz JUIFRDHUHNEOKG-OAQYLSRUSA-N 1 2 388.471 3.608 20 30 GHEDLO Cc1ccccc1C[N@H+]1CCO[C@@H](c2noc(Cc3ccccc3CC#N)n2)C1 ZINC000867180974 873185631 /nfs/dbraw/zinc/18/56/31/873185631.db2.gz JUIFRDHUHNEOKG-OAQYLSRUSA-N 1 2 388.471 3.608 20 30 GHEDLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC001196769736 873377547 /nfs/dbraw/zinc/37/75/47/873377547.db2.gz ANHMDSVJXOAESJ-BBRMVZONSA-N 1 2 379.888 3.730 20 30 GHEDLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC001196769736 873377561 /nfs/dbraw/zinc/37/75/61/873377561.db2.gz ANHMDSVJXOAESJ-BBRMVZONSA-N 1 2 379.888 3.730 20 30 GHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858013068 882719930 /nfs/dbraw/zinc/71/99/30/882719930.db2.gz GILZVXYJRBLJBS-OXJNMPFZSA-N 1 2 390.487 3.701 20 30 GHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858013068 882719935 /nfs/dbraw/zinc/71/99/35/882719935.db2.gz GILZVXYJRBLJBS-OXJNMPFZSA-N 1 2 390.487 3.701 20 30 GHEDLO CN(CCC#N)c1ccc(C[N@@H+]2CCN(Cc3ccc(Cl)cc3)C(=O)C2)cc1 ZINC000769463485 874087196 /nfs/dbraw/zinc/08/71/96/874087196.db2.gz PAWISLSVVLTIDF-UHFFFAOYSA-N 1 2 396.922 3.534 20 30 GHEDLO CCN(C(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000541680657 874087278 /nfs/dbraw/zinc/08/72/78/874087278.db2.gz FTFGKECCJJEPNC-KRWDZBQOSA-N 1 2 399.498 3.914 20 30 GHEDLO CN(CCC#N)c1ccc(C[N@H+]2CCN(Cc3ccc(Cl)cc3)C(=O)C2)cc1 ZINC000769463485 874087209 /nfs/dbraw/zinc/08/72/09/874087209.db2.gz PAWISLSVVLTIDF-UHFFFAOYSA-N 1 2 396.922 3.534 20 30 GHEDLO C#CC[N@@H+](Cc1ccc(S(=O)(=O)N(C)C)s1)[C@@H]1CCCc2ccccc21 ZINC001198105628 874233892 /nfs/dbraw/zinc/23/38/92/874233892.db2.gz YCXMVWDZSFFVTK-LJQANCHMSA-N 1 2 388.558 3.511 20 30 GHEDLO C#CC[N@H+](Cc1ccc(S(=O)(=O)N(C)C)s1)[C@@H]1CCCc2ccccc21 ZINC001198105628 874233908 /nfs/dbraw/zinc/23/39/08/874233908.db2.gz YCXMVWDZSFFVTK-LJQANCHMSA-N 1 2 388.558 3.511 20 30 GHEDLO CC(C)(C)OC(=O)NCc1ccc(C(N)=[NH+]OCc2ccc(Cl)nc2)cc1 ZINC000769843180 874321219 /nfs/dbraw/zinc/32/12/19/874321219.db2.gz XARMPOOLCBTBAF-UHFFFAOYSA-N 1 2 390.871 3.597 20 30 GHEDLO N#Cc1ccccc1OCc1cccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000153045611 874657765 /nfs/dbraw/zinc/65/77/65/874657765.db2.gz AJFWPFOIHDENED-NRFANRHFSA-N 1 2 398.466 3.541 20 30 GHEDLO C#CC[C@H](Cc1ccccc1)NC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000804456968 882870673 /nfs/dbraw/zinc/87/06/73/882870673.db2.gz LIGYVRVDCURIHC-HXUWFJFHSA-N 1 2 397.522 3.977 20 30 GHEDLO C#CC[C@H](Cc1ccccc1)NC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000804456968 882870693 /nfs/dbraw/zinc/87/06/93/882870693.db2.gz LIGYVRVDCURIHC-HXUWFJFHSA-N 1 2 397.522 3.977 20 30 GHEDLO C=CCOc1ccc(CC(=O)N(CC)CC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000449993362 875785111 /nfs/dbraw/zinc/78/51/11/875785111.db2.gz BTOSZVBNBMDSRS-UHFFFAOYSA-N 1 2 393.531 3.954 20 30 GHEDLO CCCCCCCCCCS(=O)(=O)N[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001201836912 875898385 /nfs/dbraw/zinc/89/83/85/875898385.db2.gz JFGNGUYCEXJXGO-FQEVSTJZSA-N 1 2 381.586 3.716 20 30 GHEDLO CCCCCCCCCCS(=O)(=O)N[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001201836912 875898390 /nfs/dbraw/zinc/89/83/90/875898390.db2.gz JFGNGUYCEXJXGO-FQEVSTJZSA-N 1 2 381.586 3.716 20 30 GHEDLO NC(=[NH+]OCC(=O)Nc1cccc(F)c1)c1ccc(OCc2ccccc2)cc1 ZINC000109148676 876391342 /nfs/dbraw/zinc/39/13/42/876391342.db2.gz KLNPYXLUBUYAOV-UHFFFAOYSA-N 1 2 393.418 3.680 20 30 GHEDLO C[C@@H]1CCCC[C@H]1NC(=O)CO[NH+]=C(N)c1ccc(OCc2ccccc2)cc1 ZINC000109148680 876391591 /nfs/dbraw/zinc/39/15/91/876391591.db2.gz XLVLHDLFFFQNLF-DYESRHJHSA-N 1 2 395.503 3.597 20 30 GHEDLO C[C@H](c1ccc(S(C)(=O)=O)cc1)[NH+]1CCC(Nc2ccc(C#N)cc2)CC1 ZINC000450785090 876886501 /nfs/dbraw/zinc/88/65/01/876886501.db2.gz DQDBGIREDHURIJ-MRXNPFEDSA-N 1 2 383.517 3.599 20 30 GHEDLO N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1F ZINC000153167668 877073860 /nfs/dbraw/zinc/07/38/60/877073860.db2.gz IKWNHSQAKIJWNR-AWEZNQCLSA-N 1 2 376.391 3.887 20 30 GHEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(F)(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000451529281 878058811 /nfs/dbraw/zinc/05/88/11/878058811.db2.gz NDDSTURAPAVOQA-LJQANCHMSA-N 1 2 385.870 3.785 20 30 GHEDLO COc1cc(N[NH2+]C=c2c(C)nn3c2nc2ccccc2c3=O)ccc1Cl ZINC000788467251 878084987 /nfs/dbraw/zinc/08/49/87/878084987.db2.gz HROWBZFWTQMUGC-UHFFFAOYSA-N 1 2 381.823 3.592 20 30 GHEDLO C=CCOc1ccc(C[NH+]2CCN(Cc3ccc(Cl)nc3)CC2)cc1OC ZINC000093512697 912308881 /nfs/dbraw/zinc/30/88/81/912308881.db2.gz FQCMYDPESNMFJF-UHFFFAOYSA-N 1 2 387.911 3.626 20 30 GHEDLO C#CCn1ccc(C[N@@H+](CC)Cc2c(-c3ccccc3)nc3sccn23)n1 ZINC000788534251 878163372 /nfs/dbraw/zinc/16/33/72/878163372.db2.gz QSZJSSBEOQSHFP-UHFFFAOYSA-N 1 2 375.501 3.915 20 30 GHEDLO C#CCn1ccc(C[N@H+](CC)Cc2c(-c3ccccc3)nc3sccn23)n1 ZINC000788534251 878163381 /nfs/dbraw/zinc/16/33/81/878163381.db2.gz QSZJSSBEOQSHFP-UHFFFAOYSA-N 1 2 375.501 3.915 20 30 GHEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000852326772 878242287 /nfs/dbraw/zinc/24/22/87/878242287.db2.gz PAQCVPZFPKBNDS-FQEVSTJZSA-N 1 2 386.858 3.760 20 30 GHEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000852326772 878242299 /nfs/dbraw/zinc/24/22/99/878242299.db2.gz PAQCVPZFPKBNDS-FQEVSTJZSA-N 1 2 386.858 3.760 20 30 GHEDLO CC(C)(C#N)CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C(F)(F)F)C1 ZINC000852503680 878381507 /nfs/dbraw/zinc/38/15/07/878381507.db2.gz ZFUZWAXJCJFPHJ-HZPDHXFCSA-N 1 2 385.405 3.602 20 30 GHEDLO CC(C)(C#N)CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C(F)(F)F)C1 ZINC000852503680 878381520 /nfs/dbraw/zinc/38/15/20/878381520.db2.gz ZFUZWAXJCJFPHJ-HZPDHXFCSA-N 1 2 385.405 3.602 20 30 GHEDLO CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180749263 879271508 /nfs/dbraw/zinc/27/15/08/879271508.db2.gz SPGMUXVABXHFEQ-HKUYNNGSSA-N 1 2 386.858 3.700 20 30 GHEDLO CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180749263 879271526 /nfs/dbraw/zinc/27/15/26/879271526.db2.gz SPGMUXVABXHFEQ-HKUYNNGSSA-N 1 2 386.858 3.700 20 30 GHEDLO CC1(C)C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@@H]1c1cccnc1 ZINC000854041751 879470692 /nfs/dbraw/zinc/47/06/92/879470692.db2.gz QBJJWQQUCYHIKB-LAUBAEHRSA-N 1 2 383.455 3.702 20 30 GHEDLO CC1(C)C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@@H]1c1cccnc1 ZINC000854041751 879470700 /nfs/dbraw/zinc/47/07/00/879470700.db2.gz QBJJWQQUCYHIKB-LAUBAEHRSA-N 1 2 383.455 3.702 20 30 GHEDLO CCOc1cc(C=NNc2[nH+]ccn2C)cc(Br)c1OC(F)F ZINC000790302569 879606675 /nfs/dbraw/zinc/60/66/75/879606675.db2.gz VRIBXLUZXRZFFW-UHFFFAOYSA-N 1 2 389.200 3.629 20 30 GHEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+](CCOC)[C@H]2CC[C@H](C)C2)c1=S ZINC000790475819 879749499 /nfs/dbraw/zinc/74/94/99/879749499.db2.gz BZSVHWQPALNITH-WMZOPIPTSA-N 1 2 387.553 3.757 20 30 GHEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+](CCOC)[C@H]2CC[C@H](C)C2)c1=S ZINC000790475819 879749508 /nfs/dbraw/zinc/74/95/08/879749508.db2.gz BZSVHWQPALNITH-WMZOPIPTSA-N 1 2 387.553 3.757 20 30 GHEDLO CCC[N@H+](CC(=O)N(CC)C[C@H](C)C#N)Cc1ccccc1Br ZINC000531841414 880587921 /nfs/dbraw/zinc/58/79/21/880587921.db2.gz UEEIXKDHDSUCFB-OAHLLOKOSA-N 1 2 380.330 3.669 20 30 GHEDLO CCC[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)Cc1ccccc1Br ZINC000531841414 880587923 /nfs/dbraw/zinc/58/79/23/880587923.db2.gz UEEIXKDHDSUCFB-OAHLLOKOSA-N 1 2 380.330 3.669 20 30 GHEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(Cl)ccc1C(F)(F)F ZINC001275220205 912683971 /nfs/dbraw/zinc/68/39/71/912683971.db2.gz MWZLOSYYXPJXGK-GOSISDBHSA-N 1 2 384.829 3.949 20 30 GHEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Cl)ccc1C(F)(F)F ZINC001275220205 912683980 /nfs/dbraw/zinc/68/39/80/912683980.db2.gz MWZLOSYYXPJXGK-GOSISDBHSA-N 1 2 384.829 3.949 20 30 GHEDLO N#C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1Br ZINC000609589971 883388998 /nfs/dbraw/zinc/38/89/98/883388998.db2.gz XOAKDWZUQGJHAE-QGZVFWFLSA-N 1 2 381.233 3.629 20 30 GHEDLO C#C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccc(Cl)cc1F ZINC000804902424 883465679 /nfs/dbraw/zinc/46/56/79/883465679.db2.gz FXRNCONPXBQOJZ-GOSISDBHSA-N 1 2 386.858 3.648 20 30 GHEDLO N#Cc1ccc(OCc2cccc(C(=O)NCC[NH+]3Cc4ccccc4C3)c2)cc1 ZINC000609660654 883501084 /nfs/dbraw/zinc/50/10/84/883501084.db2.gz CRRUURXQWAHGQI-UHFFFAOYSA-N 1 2 397.478 3.883 20 30 GHEDLO N#CCn1c(=O)c2ccccc2nc1C[N@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000859416185 883803814 /nfs/dbraw/zinc/80/38/14/883803814.db2.gz AMIGBHZJDBXINC-INIZCTEOSA-N 1 2 394.425 3.578 20 30 GHEDLO N#CCn1c(=O)c2ccccc2nc1C[N@@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000859416185 883803834 /nfs/dbraw/zinc/80/38/34/883803834.db2.gz AMIGBHZJDBXINC-INIZCTEOSA-N 1 2 394.425 3.578 20 30 GHEDLO N#Cc1cccc([C@H]2C[N@H+](Cc3cc(=O)oc4cc5c(cc34)CCC5)CCO2)c1 ZINC000761758682 884080102 /nfs/dbraw/zinc/08/01/02/884080102.db2.gz HVJSCUWOGRZLQD-HSZRJFAPSA-N 1 2 386.451 3.727 20 30 GHEDLO N#Cc1cccc([C@H]2C[N@@H+](Cc3cc(=O)oc4cc5c(cc34)CCC5)CCO2)c1 ZINC000761758682 884080116 /nfs/dbraw/zinc/08/01/16/884080116.db2.gz HVJSCUWOGRZLQD-HSZRJFAPSA-N 1 2 386.451 3.727 20 30 GHEDLO C=CCSc1nc2ccccc2n1C[NH+]1CCN(C(=O)CC(C)(C)C)CC1 ZINC000914569134 884199748 /nfs/dbraw/zinc/19/97/48/884199748.db2.gz SDUXLEHUTJTDNZ-UHFFFAOYSA-N 1 2 386.565 3.852 20 30 GHEDLO C[C@@H](C[N@H+](C)Cc1cc(C#N)ccc1Br)NC(=O)OC(C)(C)C ZINC000860097647 884324375 /nfs/dbraw/zinc/32/43/75/884324375.db2.gz UTONYIHGIOEJHJ-LBPRGKRZSA-N 1 2 382.302 3.666 20 30 GHEDLO C[C@@H](C[N@@H+](C)Cc1cc(C#N)ccc1Br)NC(=O)OC(C)(C)C ZINC000860097647 884324393 /nfs/dbraw/zinc/32/43/93/884324393.db2.gz UTONYIHGIOEJHJ-LBPRGKRZSA-N 1 2 382.302 3.666 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(CC(=O)OCC)CC1 ZINC000130313967 884502539 /nfs/dbraw/zinc/50/25/39/884502539.db2.gz CCTYIPTZJWPEDB-UHFFFAOYSA-N 1 2 376.522 3.568 20 30 GHEDLO Cn1c(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)cc2ccccc21 ZINC001183839600 912844866 /nfs/dbraw/zinc/84/48/66/912844866.db2.gz ZGGMXVLZQRWDAW-QHCPKHFHSA-N 1 2 386.499 3.721 20 30 GHEDLO Cn1c(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)cc2ccccc21 ZINC001183839600 912844887 /nfs/dbraw/zinc/84/48/87/912844887.db2.gz ZGGMXVLZQRWDAW-QHCPKHFHSA-N 1 2 386.499 3.721 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000542543805 884864335 /nfs/dbraw/zinc/86/43/35/884864335.db2.gz IPUSBBTXMBLCNZ-JFIYKMOQSA-N 1 2 389.565 3.748 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000542543805 884864349 /nfs/dbraw/zinc/86/43/49/884864349.db2.gz IPUSBBTXMBLCNZ-JFIYKMOQSA-N 1 2 389.565 3.748 20 30 GHEDLO C=CC[NH+](CC=C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1 ZINC000303561589 885626567 /nfs/dbraw/zinc/62/65/67/885626567.db2.gz AHGNVYNSPUYTBK-UHFFFAOYSA-N 1 2 378.476 3.587 20 30 GHEDLO CCc1ccc([C@H](COC)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)o1 ZINC000542557908 885818807 /nfs/dbraw/zinc/81/88/07/885818807.db2.gz XXLWPRSUXDRKFK-KXBFYZLASA-N 1 2 387.455 3.594 20 30 GHEDLO N#Cc1ccccc1N1CCC[N@@H+]([C@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000532557591 886108672 /nfs/dbraw/zinc/10/86/72/886108672.db2.gz AYJARFPSPQBVGP-NRFANRHFSA-N 1 2 394.906 3.529 20 30 GHEDLO N#Cc1ccccc1N1CCC[N@H+]([C@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000532557591 886108678 /nfs/dbraw/zinc/10/86/78/886108678.db2.gz AYJARFPSPQBVGP-NRFANRHFSA-N 1 2 394.906 3.529 20 30 GHEDLO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2cn(-c3ccccc3C)nn2)ccc1OC ZINC000808390040 886319125 /nfs/dbraw/zinc/31/91/25/886319125.db2.gz NQNOYYKAZAUASG-LJQANCHMSA-N 1 2 391.475 3.555 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(-c4ccc(Cl)cc4)no3)CC2)nc1 ZINC000193769867 887443439 /nfs/dbraw/zinc/44/34/39/887443439.db2.gz JWEIYTNIHCRCFT-UHFFFAOYSA-N 1 2 379.851 3.584 20 30 GHEDLO C[NH+](C)Cc1cnc(/C=C/C(=O)c2ccc(I)cc2)s1 ZINC000794695485 887866653 /nfs/dbraw/zinc/86/66/53/887866653.db2.gz OXAGAJMZXAOEGP-BQYQJAHWSA-N 1 2 398.269 3.705 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000609233791 888137796 /nfs/dbraw/zinc/13/77/96/888137796.db2.gz ICLGPBBSSDXDBE-HNAYVOBHSA-N 1 2 395.528 3.899 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000609233791 888137801 /nfs/dbraw/zinc/13/78/01/888137801.db2.gz ICLGPBBSSDXDBE-HNAYVOBHSA-N 1 2 395.528 3.899 20 30 GHEDLO COc1cccc(C[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C2CCC(O)CC2)c1 ZINC000459374513 888372857 /nfs/dbraw/zinc/37/28/57/888372857.db2.gz LUMQDKKNCCXVIQ-UHFFFAOYSA-N 1 2 395.459 3.781 20 30 GHEDLO COc1cccc(C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C2CCC(O)CC2)c1 ZINC000459374513 888372881 /nfs/dbraw/zinc/37/28/81/888372881.db2.gz LUMQDKKNCCXVIQ-UHFFFAOYSA-N 1 2 395.459 3.781 20 30 GHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCc3ccc(C#N)cc3F)n2)C1 ZINC000609240126 888443345 /nfs/dbraw/zinc/44/33/45/888443345.db2.gz YACCPMKJCRPIKB-ZDUSSCGKSA-N 1 2 387.484 3.707 20 30 GHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCc3ccc(C#N)cc3F)n2)C1 ZINC000609240126 888443350 /nfs/dbraw/zinc/44/33/50/888443350.db2.gz YACCPMKJCRPIKB-ZDUSSCGKSA-N 1 2 387.484 3.707 20 30 GHEDLO C#C[C@H]([NH2+]C1CC(C(=O)OC(C)C)(C(=O)OC(C)C)C1)c1ccc(Cl)cc1 ZINC000811516092 889669378 /nfs/dbraw/zinc/66/93/78/889669378.db2.gz DYZIYHMEUKWESD-SFHVURJKSA-N 1 2 391.895 3.656 20 30 GHEDLO O=C(NC[C@H]1CCC[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1)C(F)(F)F ZINC000811515345 889712017 /nfs/dbraw/zinc/71/20/17/889712017.db2.gz RCMKAFZQSQJFQL-SNVBAGLBSA-N 1 2 386.311 3.735 20 30 GHEDLO O=C(NC[C@H]1CCC[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1)C(F)(F)F ZINC000811515345 889712020 /nfs/dbraw/zinc/71/20/20/889712020.db2.gz RCMKAFZQSQJFQL-SNVBAGLBSA-N 1 2 386.311 3.735 20 30 GHEDLO COc1ccc2c(c1)CCC[N@H+]([C@@H](C)C(=O)Nc1sc3c(c1C#N)CCC3)C2 ZINC000533407979 890476840 /nfs/dbraw/zinc/47/68/40/890476840.db2.gz IDMNSQRBGVLBNW-AWEZNQCLSA-N 1 2 395.528 3.892 20 30 GHEDLO COc1ccc2c(c1)CCC[N@@H+]([C@@H](C)C(=O)Nc1sc3c(c1C#N)CCC3)C2 ZINC000533407979 890476851 /nfs/dbraw/zinc/47/68/51/890476851.db2.gz IDMNSQRBGVLBNW-AWEZNQCLSA-N 1 2 395.528 3.892 20 30 GHEDLO C#CCNC(=O)C1CC[NH+](Cn2cc(-c3ccc(Cl)cc3)oc2=S)CC1 ZINC000747795604 890749695 /nfs/dbraw/zinc/74/96/95/890749695.db2.gz CFJSORDKLMIRFH-UHFFFAOYSA-N 1 2 389.908 3.550 20 30 GHEDLO CCCCCCC[C@@]1(C)NC(=O)N(N=Cc2ccc(-n3cc[nH+]c3)cc2)C1=O ZINC000917027929 890760776 /nfs/dbraw/zinc/76/07/76/890760776.db2.gz PFAWVDCIKQOBNF-OAQYLSRUSA-N 1 2 381.480 3.877 20 30 GHEDLO Cc1ccc([C@@H]2CCC[N@@H+]2CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)cc1 ZINC000917095906 891158752 /nfs/dbraw/zinc/15/87/52/891158752.db2.gz MVNDTTMXSDHBQU-ICSRJNTNSA-N 1 2 386.455 3.657 20 30 GHEDLO Cc1ccc([C@@H]2CCC[N@H+]2CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)cc1 ZINC000917095906 891158756 /nfs/dbraw/zinc/15/87/56/891158756.db2.gz MVNDTTMXSDHBQU-ICSRJNTNSA-N 1 2 386.455 3.657 20 30 GHEDLO CCCOc1ccc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 ZINC000536643105 891509054 /nfs/dbraw/zinc/50/90/54/891509054.db2.gz RYTANCVGLJFJQL-UHFFFAOYSA-N 1 2 392.459 3.917 20 30 GHEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCc2ccc(C#N)cc2F)C[C@H](C)O1 ZINC000609253668 891561793 /nfs/dbraw/zinc/56/17/93/891561793.db2.gz RDQBJVFKRWOOTQ-HOTGVXAUSA-N 1 2 396.466 3.628 20 30 GHEDLO COc1c(C)c[nH+]c(CNC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c1C ZINC000747860939 891816406 /nfs/dbraw/zinc/81/64/06/891816406.db2.gz IGQWFACQBSTGIP-UHFFFAOYSA-N 1 2 380.492 3.947 20 30 GHEDLO C=CC(C)(C)CCCNC(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000874292896 892071218 /nfs/dbraw/zinc/07/12/18/892071218.db2.gz UTYWQQVLZSDRJM-UHFFFAOYSA-N 1 2 392.503 3.649 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)c2cscc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000497723033 892267325 /nfs/dbraw/zinc/26/73/25/892267325.db2.gz QCRNGRHXKUBNDW-IRXDYDNUSA-N 1 2 377.872 3.978 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)c2cscc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000497723033 892267334 /nfs/dbraw/zinc/26/73/34/892267334.db2.gz QCRNGRHXKUBNDW-IRXDYDNUSA-N 1 2 377.872 3.978 20 30 GHEDLO Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](Cc3cc(C#N)cnc3Cl)C2)cc1 ZINC000876655032 893274987 /nfs/dbraw/zinc/27/49/87/893274987.db2.gz DHYFYQSBLIJNBM-MRXNPFEDSA-N 1 2 397.910 3.949 20 30 GHEDLO Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cc(C#N)cnc3Cl)C2)cc1 ZINC000876655032 893274997 /nfs/dbraw/zinc/27/49/97/893274997.db2.gz DHYFYQSBLIJNBM-MRXNPFEDSA-N 1 2 397.910 3.949 20 30 GHEDLO CC(N=Nc1nnc(-c2ccccc2)s1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000814947160 893294921 /nfs/dbraw/zinc/29/49/21/893294921.db2.gz DNRIUQJRFBQSMW-LJQANCHMSA-N 1 2 393.516 3.894 20 30 GHEDLO CC(N=Nc1nnc(-c2ccccc2)s1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000814947160 893294929 /nfs/dbraw/zinc/29/49/29/893294929.db2.gz DNRIUQJRFBQSMW-LJQANCHMSA-N 1 2 393.516 3.894 20 30 GHEDLO C=CCn1c2ccccc2n(C[NH+]2CCC(N3CCCCC3=O)CC2)c1=S ZINC000126561909 893669044 /nfs/dbraw/zinc/66/90/44/893669044.db2.gz NDWVHIIDFXIGAP-UHFFFAOYSA-N 1 2 384.549 3.793 20 30 GHEDLO N#Cc1ccccc1OC1CCC([NH2+][C@H](c2nnc[nH]2)c2ccc(F)cc2)CC1 ZINC000556118679 893828999 /nfs/dbraw/zinc/82/89/99/893828999.db2.gz HHAMOQAUCKFYFE-GRERDSQWSA-N 1 2 391.450 3.885 20 30 GHEDLO CC(=O)[C@](C#N)(CCN1CC[NH+]([C@H](C)c2ccsc2)CC1)c1ccccc1 ZINC000878436716 894290146 /nfs/dbraw/zinc/29/01/46/894290146.db2.gz MOWGIACPIYQKGY-XMSQKQJNSA-N 1 2 381.545 3.867 20 30 GHEDLO CC[N@@H+]1CC[C@@H](NC(=O)C2(C#N)CCSCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000935234426 894298843 /nfs/dbraw/zinc/29/88/43/894298843.db2.gz COBCFFAKWKRANE-IAGOWNOFSA-N 1 2 395.931 3.768 20 30 GHEDLO CC[N@H+]1CC[C@@H](NC(=O)C2(C#N)CCSCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000935234426 894298861 /nfs/dbraw/zinc/29/88/61/894298861.db2.gz COBCFFAKWKRANE-IAGOWNOFSA-N 1 2 395.931 3.768 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)C2(C#N)CCSCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000935234425 894299084 /nfs/dbraw/zinc/29/90/84/894299084.db2.gz COBCFFAKWKRANE-DLBZAZTESA-N 1 2 395.931 3.768 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)C2(C#N)CCSCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000935234425 894299100 /nfs/dbraw/zinc/29/91/00/894299100.db2.gz COBCFFAKWKRANE-DLBZAZTESA-N 1 2 395.931 3.768 20 30 GHEDLO CC(=O)[C@@](C#N)(CC[N@H+](CC(=O)N1CCCCCC1)C(C)C)c1ccccc1 ZINC000878611912 894441817 /nfs/dbraw/zinc/44/18/17/894441817.db2.gz CYNAEFXSAHPFRE-QHCPKHFHSA-N 1 2 383.536 3.540 20 30 GHEDLO CC(=O)[C@@](C#N)(CC[N@@H+](CC(=O)N1CCCCCC1)C(C)C)c1ccccc1 ZINC000878611912 894441820 /nfs/dbraw/zinc/44/18/20/894441820.db2.gz CYNAEFXSAHPFRE-QHCPKHFHSA-N 1 2 383.536 3.540 20 30 GHEDLO CN(Cc1cc(C#N)cc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)c1)[C@@H]1CCC[C@@H]1C#N ZINC000879308591 894975698 /nfs/dbraw/zinc/97/56/98/894975698.db2.gz DLROPQNOYBLUFO-SSGKUCQKSA-N 1 2 375.520 3.806 20 30 GHEDLO CN(Cc1cc(C#N)cc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)c1)[C@@H]1CCC[C@@H]1C#N ZINC000879308591 894975706 /nfs/dbraw/zinc/97/57/06/894975706.db2.gz DLROPQNOYBLUFO-SSGKUCQKSA-N 1 2 375.520 3.806 20 30 GHEDLO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)ccc1OC ZINC000127908390 895194138 /nfs/dbraw/zinc/19/41/38/895194138.db2.gz YSLHKIVYPWJZCZ-WIYYLYMNSA-N 1 2 376.460 3.978 20 30 GHEDLO CCCOc1ccc(C=NOCc2cccc(C[NH+]3CCOCC3)c2)cc1OC ZINC000817378249 895552010 /nfs/dbraw/zinc/55/20/10/895552010.db2.gz VZTDBDHQPZALOG-UHFFFAOYSA-N 1 2 398.503 3.867 20 30 GHEDLO CCc1ccc([C@H](C#N)N(C)C(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)cc1 ZINC000565900592 895967539 /nfs/dbraw/zinc/96/75/39/895967539.db2.gz NLBLUJYVYKUUOI-FQEVSTJZSA-N 1 2 382.414 3.909 20 30 GHEDLO C=CCn1cc(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCCN2C(=O)OC(C)(C)C)nn1 ZINC000818347639 896122702 /nfs/dbraw/zinc/12/27/02/896122702.db2.gz TYSJFPVLOXJYME-PMACEKPBSA-N 1 2 397.523 3.695 20 30 GHEDLO N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ccc(N)[nH+]c2)cc1F ZINC000567524798 897224494 /nfs/dbraw/zinc/22/44/94/897224494.db2.gz IJSZQOBBNSJDPE-UHFFFAOYSA-N 1 2 377.379 3.619 20 30 GHEDLO C=CC1(CC(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CCCCC1 ZINC001136429213 897781486 /nfs/dbraw/zinc/78/14/86/897781486.db2.gz CABUTNJTERBZPS-UHFFFAOYSA-N 1 2 386.536 3.540 20 30 GHEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CC4(CCOCC4)[C@H]3c3ccccc3)o2)c1 ZINC000568365352 897784049 /nfs/dbraw/zinc/78/40/49/897784049.db2.gz SUIPBSSIVAQMTQ-OAQYLSRUSA-N 1 2 386.455 3.962 20 30 GHEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CC4(CCOCC4)[C@H]3c3ccccc3)o2)c1 ZINC000568365352 897784058 /nfs/dbraw/zinc/78/40/58/897784058.db2.gz SUIPBSSIVAQMTQ-OAQYLSRUSA-N 1 2 386.455 3.962 20 30 GHEDLO N#Cc1cccc(CC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)c1 ZINC000568827467 898137192 /nfs/dbraw/zinc/13/71/92/898137192.db2.gz WJLAVBTYFLFRFB-UHFFFAOYSA-N 1 2 378.863 3.680 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H](C3CCCC3)C(F)(F)F)CC2)cc1 ZINC000331913298 899261991 /nfs/dbraw/zinc/26/19/91/899261991.db2.gz LZJOHEOIDOBEOC-SFHVURJKSA-N 1 2 394.441 3.507 20 30 GHEDLO C=CCOC[C@@H]1C[N@@H+](Cc2c[nH]c3cc(C)ccc23)Cc2nnn(CC3CC3)c21 ZINC001136970849 899922588 /nfs/dbraw/zinc/92/25/88/899922588.db2.gz WBFDQHQZBDESLZ-IBGZPJMESA-N 1 2 391.519 3.780 20 30 GHEDLO C=CCOC[C@@H]1C[N@H+](Cc2c[nH]c3cc(C)ccc23)Cc2nnn(CC3CC3)c21 ZINC001136970849 899922594 /nfs/dbraw/zinc/92/25/94/899922594.db2.gz WBFDQHQZBDESLZ-IBGZPJMESA-N 1 2 391.519 3.780 20 30 GHEDLO COc1ccc(C(=O)NC2CC[NH+](Cc3c(Cl)cccc3C#N)CC2)cc1 ZINC001143726081 900448302 /nfs/dbraw/zinc/44/83/02/900448302.db2.gz FGHLRVPFZSUJEC-UHFFFAOYSA-N 1 2 383.879 3.615 20 30 GHEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1c(F)ccc(F)c1Br)CC2 ZINC001143816879 900560335 /nfs/dbraw/zinc/56/03/35/900560335.db2.gz CZYXLDWVIYRTDU-UHFFFAOYSA-N 1 2 399.279 3.870 20 30 GHEDLO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844370258 900735480 /nfs/dbraw/zinc/73/54/80/900735480.db2.gz PQSZEQXOEUJBKB-AUUYWEPGSA-N 1 2 396.878 3.912 20 30 GHEDLO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844370258 900735490 /nfs/dbraw/zinc/73/54/90/900735490.db2.gz PQSZEQXOEUJBKB-AUUYWEPGSA-N 1 2 396.878 3.912 20 30 GHEDLO CCOc1cc(C[N@H+](C)[C@H](C)CC#N)ccc1OCC(=O)Nc1ccccc1 ZINC000093090635 901530779 /nfs/dbraw/zinc/53/07/79/901530779.db2.gz MKPHBRLYWRUBHU-QGZVFWFLSA-N 1 2 381.476 3.837 20 30 GHEDLO CCOc1cc(C[N@@H+](C)[C@H](C)CC#N)ccc1OCC(=O)Nc1ccccc1 ZINC000093090635 901530789 /nfs/dbraw/zinc/53/07/89/901530789.db2.gz MKPHBRLYWRUBHU-QGZVFWFLSA-N 1 2 381.476 3.837 20 30 GHEDLO C=CCCS(=O)(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000576138832 901720647 /nfs/dbraw/zinc/72/06/47/901720647.db2.gz LVPGACFAWACZTB-SJORKVTESA-N 1 2 388.936 3.889 20 30 GHEDLO C=CCCS(=O)(=O)N[C@@H]1CC[N@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000576138832 901720660 /nfs/dbraw/zinc/72/06/60/901720660.db2.gz LVPGACFAWACZTB-SJORKVTESA-N 1 2 388.936 3.889 20 30 GHEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N(CCC#N)Cc2ccco2)C[C@@H](C)O1 ZINC000122112879 901729158 /nfs/dbraw/zinc/72/91/58/901729158.db2.gz RBUABLIKHZTSIR-QZTJIDSGSA-N 1 2 396.491 3.837 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3c(F)cc(C#N)cc3F)n2)C1 ZINC000124292228 902050664 /nfs/dbraw/zinc/05/06/64/902050664.db2.gz RANNRGCCYMPGMC-LLVKDONJSA-N 1 2 376.432 3.777 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3c(F)cc(C#N)cc3F)n2)C1 ZINC000124292228 902050675 /nfs/dbraw/zinc/05/06/75/902050675.db2.gz RANNRGCCYMPGMC-LLVKDONJSA-N 1 2 376.432 3.777 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000333682105 902267671 /nfs/dbraw/zinc/26/76/71/902267671.db2.gz LKWFVPHRLAMDJI-AWEZNQCLSA-N 1 2 398.507 3.791 20 30 GHEDLO C=CCCn1cc(-c2csc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)nn1 ZINC000887460879 902393945 /nfs/dbraw/zinc/39/39/45/902393945.db2.gz JJKFFYIEISRGOY-LJQANCHMSA-N 1 2 381.505 3.551 20 30 GHEDLO C=CCCn1cc(-c2csc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)nn1 ZINC000887460879 902393956 /nfs/dbraw/zinc/39/39/56/902393956.db2.gz JJKFFYIEISRGOY-LJQANCHMSA-N 1 2 381.505 3.551 20 30 GHEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000577073396 902485802 /nfs/dbraw/zinc/48/58/02/902485802.db2.gz MTFMYCDTADRPMI-WMZOPIPTSA-N 1 2 384.867 3.893 20 30 GHEDLO N#Cc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cnc1C(F)(F)F ZINC000577631134 902975481 /nfs/dbraw/zinc/97/54/81/902975481.db2.gz LBADELCVIFDKTR-UHFFFAOYSA-N 1 2 375.285 3.549 20 30 GHEDLO C[C@@H]1CN(c2ccc(NCc3ccc(N(C)CCC#N)cc3)c[nH+]2)C[C@H](C)O1 ZINC000772939784 903040247 /nfs/dbraw/zinc/04/02/47/903040247.db2.gz LPRFDTTWBOCVRS-HDICACEKSA-N 1 2 379.508 3.657 20 30 GHEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000264722256 903339124 /nfs/dbraw/zinc/33/91/24/903339124.db2.gz LNCMFGXBOSJOSH-GOSISDBHSA-N 1 2 393.491 3.635 20 30 GHEDLO COC(=O)C1(c2ccc(Br)cc2)CCC([N@H+](C)[C@H](C)C#N)CC1 ZINC001172146990 905389494 /nfs/dbraw/zinc/38/94/94/905389494.db2.gz KHCRUAXIOZJVEE-IMUUDWKMSA-N 1 2 379.298 3.646 20 30 GHEDLO COC(=O)C1(c2ccc(Br)cc2)CCC([N@@H+](C)[C@H](C)C#N)CC1 ZINC001172146990 905389509 /nfs/dbraw/zinc/38/95/09/905389509.db2.gz KHCRUAXIOZJVEE-IMUUDWKMSA-N 1 2 379.298 3.646 20 30 GHEDLO COC(=O)C1(c2ccc(Br)cc2)CCC([N@H+](C)[C@@H](C)C#N)CC1 ZINC001172146988 905390180 /nfs/dbraw/zinc/39/01/80/905390180.db2.gz KHCRUAXIOZJVEE-BELGNNRLSA-N 1 2 379.298 3.646 20 30 GHEDLO COC(=O)C1(c2ccc(Br)cc2)CCC([N@@H+](C)[C@@H](C)C#N)CC1 ZINC001172146988 905390199 /nfs/dbraw/zinc/39/01/99/905390199.db2.gz KHCRUAXIOZJVEE-BELGNNRLSA-N 1 2 379.298 3.646 20 30 GHEDLO C[C@@H](CCCC#N)[N@@H+]1CCc2c(nnn2CC2CC2)[C@H]1COCc1ccccc1 ZINC001172498268 905600328 /nfs/dbraw/zinc/60/03/28/905600328.db2.gz KGPQWFYEPWVJJM-PGRDOPGGSA-N 1 2 393.535 3.886 20 30 GHEDLO C[C@@H](CCCC#N)[N@H+]1CCc2c(nnn2CC2CC2)[C@H]1COCc1ccccc1 ZINC001172498268 905600337 /nfs/dbraw/zinc/60/03/37/905600337.db2.gz KGPQWFYEPWVJJM-PGRDOPGGSA-N 1 2 393.535 3.886 20 30 GHEDLO Cc1ccc([C@@H](C)[N@H+](C)CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)c(C)c1 ZINC000299094692 921189247 /nfs/dbraw/zinc/18/92/47/921189247.db2.gz ZYXGHKDRYDDADL-APWZRJJASA-N 1 2 388.471 3.822 20 30 GHEDLO Cc1ccc([C@@H](C)[N@@H+](C)CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)c(C)c1 ZINC000299094692 921189249 /nfs/dbraw/zinc/18/92/49/921189249.db2.gz ZYXGHKDRYDDADL-APWZRJJASA-N 1 2 388.471 3.822 20 30 GHEDLO CCCCCCCCOC(=O)C[NH2+]C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001172998458 906073090 /nfs/dbraw/zinc/07/30/90/906073090.db2.gz GOYQFTIXQPSPIJ-UHFFFAOYSA-N 1 2 392.515 3.924 20 30 GHEDLO C[C@H](c1ccc(Br)cc1)N1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000191403747 906955008 /nfs/dbraw/zinc/95/50/08/906955008.db2.gz WHIXMCNVIIMDHQ-OAHLLOKOSA-N 1 2 387.325 3.538 20 30 GHEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(C#N)ccc1Br ZINC000191778945 907239205 /nfs/dbraw/zinc/23/92/05/907239205.db2.gz DXHUEALTVVDFRH-UHFFFAOYSA-N 1 2 384.277 3.841 20 30 GHEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(C#N)ccc1Br ZINC000191778945 907239222 /nfs/dbraw/zinc/23/92/22/907239222.db2.gz DXHUEALTVVDFRH-UHFFFAOYSA-N 1 2 384.277 3.841 20 30 GHEDLO COC(=O)c1sc(SC)c(C#N)c1Nc1c[nH+]c(N)cc1C(F)(F)F ZINC001175706206 907721332 /nfs/dbraw/zinc/72/13/32/907721332.db2.gz LABBTPYSDDZNAS-UHFFFAOYSA-N 1 2 388.396 3.868 20 30 GHEDLO CC[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1nc(C(F)(F)F)cs1 ZINC000185929298 907854104 /nfs/dbraw/zinc/85/41/04/907854104.db2.gz IHTDQOCRJFTWFB-GFCCVEGCSA-N 1 2 388.459 3.887 20 30 GHEDLO C[C@@H](C#N)OCCSc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC000801654836 921362129 /nfs/dbraw/zinc/36/21/29/921362129.db2.gz OTBIFEIUGADWCE-AWEZNQCLSA-N 1 2 391.928 3.537 20 30 GHEDLO C#Cc1ccc(Nc2ccc(C[NH+]3CCN(C(=O)OC(C)(C)C)CC3)cc2)cn1 ZINC001176041376 907899416 /nfs/dbraw/zinc/89/94/16/907899416.db2.gz QHEGWAURFXJTMG-UHFFFAOYSA-N 1 2 392.503 3.859 20 30 GHEDLO C=CCn1cc(Nc2ccc[nH+]c2N2CCC(NC(=O)OC(C)(C)C)CC2)cn1 ZINC001176544284 908139123 /nfs/dbraw/zinc/13/91/23/908139123.db2.gz NAHOASKDEXYWCZ-UHFFFAOYSA-N 1 2 398.511 3.701 20 30 GHEDLO N#Cc1ccc(-c2ccccc2NC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)nc1 ZINC001176967695 908335732 /nfs/dbraw/zinc/33/57/32/908335732.db2.gz UKCZTKDRWMYSCB-GOSISDBHSA-N 1 2 383.455 3.870 20 30 GHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2C[C@@H](C)OCC[C@H]2C)c1C#N ZINC001176971327 908337312 /nfs/dbraw/zinc/33/73/12/908337312.db2.gz OBBMNSPRDUCXFE-HZPDHXFCSA-N 1 2 386.540 3.920 20 30 GHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2C[C@@H](C)OCC[C@H]2C)c1C#N ZINC001176971327 908337323 /nfs/dbraw/zinc/33/73/23/908337323.db2.gz OBBMNSPRDUCXFE-HZPDHXFCSA-N 1 2 386.540 3.920 20 30 GHEDLO C[N@@H+]1CCO[C@H](C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)C1 ZINC001180756084 910330521 /nfs/dbraw/zinc/33/05/21/910330521.db2.gz VARYQXNAWBPUHU-IBGZPJMESA-N 1 2 387.439 3.754 20 30 GHEDLO C[N@H+]1CCO[C@H](C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)C1 ZINC001180756084 910330539 /nfs/dbraw/zinc/33/05/39/910330539.db2.gz VARYQXNAWBPUHU-IBGZPJMESA-N 1 2 387.439 3.754 20 30 GHEDLO C[NH+](C)[C@H](CNC(=O)Cc1ccccc1C#N)c1ccc(Cl)cc1Cl ZINC001181803923 910992971 /nfs/dbraw/zinc/99/29/71/910992971.db2.gz FZOUSTFSPPPGLU-GOSISDBHSA-N 1 2 376.287 3.827 20 30 GHEDLO C#C[C@H]([NH2+]Cc1ccc(C(=O)OC)c(Br)c1)c1ccc(F)cc1 ZINC001182021243 911155689 /nfs/dbraw/zinc/15/56/89/911155689.db2.gz UQMWUOUXFZJWAE-KRWDZBQOSA-N 1 2 376.225 3.839 20 30 GHEDLO C[N@H+](Cc1ccccc1)[C@@H](C(=O)N/C=C/C(=O)C(F)(F)F)c1ccccc1 ZINC001182244709 911328534 /nfs/dbraw/zinc/32/85/34/911328534.db2.gz NLLGVEGWAODKHP-QFQMRYFISA-N 1 2 376.378 3.621 20 30 GHEDLO C[N@@H+](Cc1ccccc1)[C@@H](C(=O)N/C=C/C(=O)C(F)(F)F)c1ccccc1 ZINC001182244709 911328549 /nfs/dbraw/zinc/32/85/49/911328549.db2.gz NLLGVEGWAODKHP-QFQMRYFISA-N 1 2 376.378 3.621 20 30 GHEDLO C[C@@H](C#N)Oc1ccc(C[NH+]2CCN(C(=O)CCC3CCCCC3)CC2)cc1 ZINC000092162291 911431664 /nfs/dbraw/zinc/43/16/64/911431664.db2.gz CBUVUFCPJAOLRN-IBGZPJMESA-N 1 2 383.536 3.982 20 30 GHEDLO C#Cc1ccc(C(=O)NCc2c[nH+]cn2Cc2cccc(Br)c2)cc1 ZINC001188742515 916173076 /nfs/dbraw/zinc/17/30/76/916173076.db2.gz CEUMUJAKJVMMON-UHFFFAOYSA-N 1 2 394.272 3.605 20 30 GHEDLO CCN(CC)c1ccc(C=[NH+]c2c(C)n(C)n(-c3ccccc3)c2=O)c(O)c1 ZINC000254349777 916551196 /nfs/dbraw/zinc/55/11/96/916551196.db2.gz MQZQQRHBECAGMU-UHFFFAOYSA-N 1 2 378.476 3.787 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+]2Cc2sc(N3CCCC3)nc2Cl)C1=O ZINC001275856778 918857173 /nfs/dbraw/zinc/85/71/73/918857173.db2.gz KSCHRLQPTYIXRQ-LJQANCHMSA-N 1 2 394.972 3.540 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2sc(N3CCCC3)nc2Cl)C1=O ZINC001275856778 918857181 /nfs/dbraw/zinc/85/71/81/918857181.db2.gz KSCHRLQPTYIXRQ-LJQANCHMSA-N 1 2 394.972 3.540 20 30 GHEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1 ZINC000115536118 919454983 /nfs/dbraw/zinc/45/49/83/919454983.db2.gz QZCJRJKZCPAYKA-IBGZPJMESA-N 1 2 394.862 3.759 20 30 GHEDLO COc1cc([C@@H](C)[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)ccc1OCCC(C)C ZINC000115597433 919459637 /nfs/dbraw/zinc/45/96/37/919459637.db2.gz GCECZMRWAOCGGV-ZHRRBRCNSA-N 1 2 395.503 3.869 20 30 GHEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000369752907 923598395 /nfs/dbraw/zinc/59/83/95/923598395.db2.gz LINODZSTQDXMNK-GOTSBHOMSA-N 1 2 399.498 3.913 20 30 GHEDLO C[C@H](Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(=O)Nc1cccc(C#N)c1 ZINC000370265445 923995716 /nfs/dbraw/zinc/99/57/16/923995716.db2.gz HTYPUIVMFUCHCD-INIZCTEOSA-N 1 2 383.455 3.913 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)N2CCC(C)(C#N)CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000370336196 924043475 /nfs/dbraw/zinc/04/34/75/924043475.db2.gz XXXJPQMEPKICFY-FUHWJXTLSA-N 1 2 394.441 3.574 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)N2CCC(C)(C#N)CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000370336196 924043489 /nfs/dbraw/zinc/04/34/89/924043489.db2.gz XXXJPQMEPKICFY-FUHWJXTLSA-N 1 2 394.441 3.574 20 30 GHEDLO CC(C)(C)OC(=O)N1CCc2nc(C[N@@H+]3CCC[C@@H](CC#N)C3)sc2C1 ZINC000826861903 924301014 /nfs/dbraw/zinc/30/10/14/924301014.db2.gz NGAOKFQEUFKXDR-AWEZNQCLSA-N 1 2 376.526 3.562 20 30 GHEDLO CC(C)(C)OC(=O)N1CCc2nc(C[N@H+]3CCC[C@@H](CC#N)C3)sc2C1 ZINC000826861903 924301022 /nfs/dbraw/zinc/30/10/22/924301022.db2.gz NGAOKFQEUFKXDR-AWEZNQCLSA-N 1 2 376.526 3.562 20 30 GHEDLO N#Cc1ccc(C2=CCN(C(=O)NCc3ccccc3Cn3cc[nH+]c3)CC2)cc1 ZINC000371335053 924532217 /nfs/dbraw/zinc/53/22/17/924532217.db2.gz IIHLTLYZJRFDBC-UHFFFAOYSA-N 1 2 397.482 3.802 20 30 GHEDLO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000409524073 924728159 /nfs/dbraw/zinc/72/81/59/924728159.db2.gz VXHNBMFUDAPRNM-CYBMUJFWSA-N 1 2 395.276 3.571 20 30 GHEDLO CSc1ccccc1[C@@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000410178852 925390161 /nfs/dbraw/zinc/39/01/61/925390161.db2.gz PACJWHDCGUQYFT-QGZVFWFLSA-N 1 2 394.544 3.869 20 30 GHEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cccc(Br)c1OC ZINC001276090139 925499077 /nfs/dbraw/zinc/49/90/77/925499077.db2.gz DPNBCQUCTVDNEO-LJQANCHMSA-N 1 2 393.325 3.601 20 30 GHEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(Br)c1OC ZINC001276090139 925499084 /nfs/dbraw/zinc/49/90/84/925499084.db2.gz DPNBCQUCTVDNEO-LJQANCHMSA-N 1 2 393.325 3.601 20 30 GHEDLO C[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)c1nc(C(C)(C)C)no1 ZINC000411531153 926491352 /nfs/dbraw/zinc/49/13/52/926491352.db2.gz JGWZSFNREMXFSI-NSHDSACASA-N 1 2 375.860 3.572 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000373960789 926596128 /nfs/dbraw/zinc/59/61/28/926596128.db2.gz WTTSWTLKHTUNES-IRXDYDNUSA-N 1 2 395.532 3.546 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000373960789 926596138 /nfs/dbraw/zinc/59/61/38/926596138.db2.gz WTTSWTLKHTUNES-IRXDYDNUSA-N 1 2 395.532 3.546 20 30 GHEDLO CC1(C)C[N@H+](CCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CCO1 ZINC000726261137 926614665 /nfs/dbraw/zinc/61/46/65/926614665.db2.gz LJGOOCILMQSDLF-OAQYLSRUSA-N 1 2 392.503 3.574 20 30 GHEDLO CC1(C)C[N@@H+](CCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CCO1 ZINC000726261137 926614671 /nfs/dbraw/zinc/61/46/71/926614671.db2.gz LJGOOCILMQSDLF-OAQYLSRUSA-N 1 2 392.503 3.574 20 30 GHEDLO N#Cc1ccc(NC(=S)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1Cl ZINC000726442698 926666907 /nfs/dbraw/zinc/66/69/07/926666907.db2.gz GNFFMFMKKXEPHV-UHFFFAOYSA-N 1 2 386.908 3.853 20 30 GHEDLO C=CCOc1ccc(-c2nn(C[N@@H+]3CC[C@@H]([C@@H]4CCOC4)C3)c(=S)o2)cc1 ZINC000749799634 927279848 /nfs/dbraw/zinc/27/98/48/927279848.db2.gz YKKMUVINYQDZMI-IAGOWNOFSA-N 1 2 387.505 3.753 20 30 GHEDLO C=CCOc1ccc(-c2nn(C[N@H+]3CC[C@@H]([C@@H]4CCOC4)C3)c(=S)o2)cc1 ZINC000749799634 927279865 /nfs/dbraw/zinc/27/98/65/927279865.db2.gz YKKMUVINYQDZMI-IAGOWNOFSA-N 1 2 387.505 3.753 20 30 GHEDLO Cc1sc(NC(=O)C[NH+]2CCC(O)(c3cccc(C)c3C)CC2)c(C#N)c1C ZINC000750049539 927405367 /nfs/dbraw/zinc/40/53/67/927405367.db2.gz CKMHRCJWVVYVPM-UHFFFAOYSA-N 1 2 397.544 3.776 20 30 GHEDLO Cc1cc(N2CCN(c3cc(C(F)(F)F)cnc3C#N)CC2)nc(C(C)C)[nH+]1 ZINC000413036785 928127355 /nfs/dbraw/zinc/12/73/55/928127355.db2.gz RJDCUCNAWNXSKG-UHFFFAOYSA-N 1 2 390.413 3.521 20 30 GHEDLO C=CCN1C[C@@]2(F)C[N@@H+](CCCc3ccc(Cl)c(Cl)c3)C[C@@]2(F)C1=O ZINC001276277401 929185487 /nfs/dbraw/zinc/18/54/87/929185487.db2.gz ZMSXCNZVZVDVOW-ZWKOTPCHSA-N 1 2 389.273 3.686 20 30 GHEDLO C=CCN1C[C@@]2(F)C[N@H+](CCCc3ccc(Cl)c(Cl)c3)C[C@@]2(F)C1=O ZINC001276277401 929185492 /nfs/dbraw/zinc/18/54/92/929185492.db2.gz ZMSXCNZVZVDVOW-ZWKOTPCHSA-N 1 2 389.273 3.686 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000544464008 929211192 /nfs/dbraw/zinc/21/11/92/929211192.db2.gz GNKMNKIJUSBSIO-UHFFFAOYSA-N 1 2 378.501 3.709 20 30 GHEDLO COC(=O)c1cccc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c1 ZINC000470995126 931083588 /nfs/dbraw/zinc/08/35/88/931083588.db2.gz ODYBBRYSFWHOLZ-FQEVSTJZSA-N 1 2 383.879 3.509 20 30 GHEDLO COc1cccc2c1CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1)C2 ZINC000782527825 931257635 /nfs/dbraw/zinc/25/76/35/931257635.db2.gz VJKRPJOQBWBCCH-GOSISDBHSA-N 1 2 377.488 3.697 20 30 GHEDLO COc1cccc2c1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1)C2 ZINC000782527825 931257640 /nfs/dbraw/zinc/25/76/40/931257640.db2.gz VJKRPJOQBWBCCH-GOSISDBHSA-N 1 2 377.488 3.697 20 30 GHEDLO COc1cc(OC)c2ncc(C#N)c(NCc3cccc(Cn4cc[nH+]c4)c3)c2c1 ZINC000557520314 931515787 /nfs/dbraw/zinc/51/57/87/931515787.db2.gz YHQNAFMDSIREJO-UHFFFAOYSA-N 1 2 399.454 3.981 20 30 GHEDLO CCOC(=O)COc1cccc(C(=O)/C=C/c2cc(-n3cc[nH+]c3)cs2)c1 ZINC000783708122 931624525 /nfs/dbraw/zinc/62/45/25/931624525.db2.gz UKVKAEJZWDGUPX-VOTSOKGWSA-N 1 2 382.441 3.772 20 30 GHEDLO CC(=O)C1=C(c2ccc(F)cc2)NC(=S)N[C@@H]1c1cc(-n2cc[nH+]c2)cs1 ZINC000783940576 931724875 /nfs/dbraw/zinc/72/48/75/931724875.db2.gz UWGGEEOHJSDSBE-GOSISDBHSA-N 1 2 398.488 3.592 20 30 GHEDLO Cc1ccc(N2CC[NH+](CC(=O)N(CCC#N)c3cccc(Cl)c3)CC2)cc1 ZINC000784392730 931878716 /nfs/dbraw/zinc/87/87/16/931878716.db2.gz WMCYMHWTFUWSFU-UHFFFAOYSA-N 1 2 396.922 3.717 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCCN(c3ncccc3F)CC2)c(Br)c1 ZINC000784400156 931880019 /nfs/dbraw/zinc/88/00/19/931880019.db2.gz SJUAOOBJEMJSIM-UHFFFAOYSA-N 1 2 389.272 3.567 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCCN(c3ncccc3F)CC2)c(Br)c1 ZINC000784400156 931880022 /nfs/dbraw/zinc/88/00/22/931880022.db2.gz SJUAOOBJEMJSIM-UHFFFAOYSA-N 1 2 389.272 3.567 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000558506438 932040890 /nfs/dbraw/zinc/04/08/90/932040890.db2.gz OGHNWOKBGQUOAM-LSDHHAIUSA-N 1 2 390.471 3.695 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000558506438 932040897 /nfs/dbraw/zinc/04/08/97/932040897.db2.gz OGHNWOKBGQUOAM-LSDHHAIUSA-N 1 2 390.471 3.695 20 30 GHEDLO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1Br ZINC000798274353 932588110 /nfs/dbraw/zinc/58/81/10/932588110.db2.gz CPVLNAOGJORLAW-GOEBONIOSA-N 1 2 394.313 3.606 20 30 GHEDLO Cn1cc(C[N@@H+]2CC(C)(C)O[C@@](C)(C(F)(F)F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000559312612 932593689 /nfs/dbraw/zinc/59/36/89/932593689.db2.gz YATHIFPDHZIECF-LJQANCHMSA-N 1 2 392.425 3.891 20 30 GHEDLO Cn1cc(C[N@H+]2CC(C)(C)O[C@@](C)(C(F)(F)F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000559312612 932593693 /nfs/dbraw/zinc/59/36/93/932593693.db2.gz YATHIFPDHZIECF-LJQANCHMSA-N 1 2 392.425 3.891 20 30 GHEDLO N#Cc1cc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)ccc1F ZINC000560001533 933011800 /nfs/dbraw/zinc/01/18/00/933011800.db2.gz FTYAHGXYKHZYGO-UHFFFAOYSA-N 1 2 392.459 3.964 20 30 GHEDLO N#Cc1cc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)ccc1F ZINC000560001533 933011805 /nfs/dbraw/zinc/01/18/05/933011805.db2.gz FTYAHGXYKHZYGO-UHFFFAOYSA-N 1 2 392.459 3.964 20 30 GHEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000560159323 933100536 /nfs/dbraw/zinc/10/05/36/933100536.db2.gz HUYUKFMNZYDAAH-UHFFFAOYSA-N 1 2 397.404 3.842 20 30 GHEDLO Cc1c(C#N)cccc1C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001116936763 933836616 /nfs/dbraw/zinc/83/66/16/933836616.db2.gz KYDDRAKFMLHWKV-UHFFFAOYSA-N 1 2 387.405 3.844 20 30 GHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc(Br)nc1N ZINC000930460133 934055040 /nfs/dbraw/zinc/05/50/40/934055040.db2.gz KLIBNMGVKZSGBA-UHFFFAOYSA-N 1 2 378.318 3.782 20 30 GHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc(Br)nc1N ZINC000930460133 934055046 /nfs/dbraw/zinc/05/50/46/934055046.db2.gz KLIBNMGVKZSGBA-UHFFFAOYSA-N 1 2 378.318 3.782 20 30 GHEDLO CC(C)[C@H]([NH2+]Cc1ccc(Br)cc1C#N)c1nnc2ccccn21 ZINC000561861621 934513311 /nfs/dbraw/zinc/51/33/11/934513311.db2.gz OEVQEWPCLANTBS-KRWDZBQOSA-N 1 2 384.281 3.850 20 30 GHEDLO C=CCn1c(C[C@@H](C)SCC)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001121552979 934695568 /nfs/dbraw/zinc/69/55/68/934695568.db2.gz KUKDSUCOYPUUME-MRXNPFEDSA-N 1 2 386.569 3.624 20 30 GHEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N(Cc1cccs1)C1CC1 ZINC001121593991 934710165 /nfs/dbraw/zinc/71/01/65/934710165.db2.gz KORXXWLYZAVSRU-PKOBYXMFSA-N 1 2 399.564 3.620 20 30 GHEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N(Cc1cccs1)C1CC1 ZINC001121593991 934710169 /nfs/dbraw/zinc/71/01/69/934710169.db2.gz KORXXWLYZAVSRU-PKOBYXMFSA-N 1 2 399.564 3.620 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)[C@@H](C)c1ccc(OC)cc1 ZINC001121712976 934745531 /nfs/dbraw/zinc/74/55/31/934745531.db2.gz UCXXERBDWRONJX-KRWDZBQOSA-N 1 2 396.539 3.597 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(Cc1ccccc1F)C1CC1 ZINC001121712746 934745553 /nfs/dbraw/zinc/74/55/53/934745553.db2.gz QMRLDDUEAXAQFT-UHFFFAOYSA-N 1 2 396.514 3.699 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@H](c2cccc(F)c2)C1 ZINC001121801443 934767930 /nfs/dbraw/zinc/76/79/30/934767930.db2.gz QDTGQAKKSFREAP-IBGZPJMESA-N 1 2 396.514 3.524 20 30 GHEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1Cc2ccccc2C2(CCC2)C1 ZINC001122399850 934861933 /nfs/dbraw/zinc/86/19/33/934861933.db2.gz HIXDUZSIYAYJNC-UHFFFAOYSA-N 1 2 388.519 3.620 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 ZINC001122444368 934871614 /nfs/dbraw/zinc/87/16/14/934871614.db2.gz ACHGUVBTIDNIDZ-AQNXPRMDSA-N 1 2 398.555 3.834 20 30 GHEDLO CC1(C)CCCN1c1nnc(C2CC[NH+](CCC#N)CC2)n1Cc1cccs1 ZINC001123005857 935053544 /nfs/dbraw/zinc/05/35/44/935053544.db2.gz BYQANYCOUGSVQZ-UHFFFAOYSA-N 1 2 398.580 3.860 20 30 GHEDLO C=CC1(CC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CCCCC1 ZINC001124779944 935465355 /nfs/dbraw/zinc/46/53/55/935465355.db2.gz ORMZWKNMEXAPAQ-UHFFFAOYSA-N 1 2 383.536 3.732 20 30 GHEDLO C=CCCN(OCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001154371937 1032068355 /nfs/dbraw/zinc/06/83/55/1032068355.db2.gz NPBURKXDWUACIK-UHFFFAOYSA-N 1 2 392.415 3.931 20 30 GHEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(Cl)c(Cl)c1OC ZINC001276815809 1032093823 /nfs/dbraw/zinc/09/38/23/1032093823.db2.gz SJUCPODUQDSTHA-LJQANCHMSA-N 1 2 381.303 3.592 20 30 GHEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(Cl)c(Cl)c1OC ZINC001276815809 1032093848 /nfs/dbraw/zinc/09/38/48/1032093848.db2.gz SJUCPODUQDSTHA-LJQANCHMSA-N 1 2 381.303 3.592 20 30 GHEDLO C[C@H](CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)Cc1cccc(F)c1 ZINC000468030120 1015166534 /nfs/dbraw/zinc/16/65/34/1015166534.db2.gz NTVGPONBMCYRGR-SFHVURJKSA-N 1 2 379.479 3.610 20 30 GHEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3ccc(Oc4ccc(C#N)cn4)cc3)n2)C1 ZINC000545118274 1015552735 /nfs/dbraw/zinc/55/27/35/1015552735.db2.gz FBNPFRFIYYDVAF-GOSISDBHSA-N 1 2 391.431 3.577 20 30 GHEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3ccc(Oc4ccc(C#N)cn4)cc3)n2)C1 ZINC000545118274 1015552743 /nfs/dbraw/zinc/55/27/43/1015552743.db2.gz FBNPFRFIYYDVAF-GOSISDBHSA-N 1 2 391.431 3.577 20 30 GHEDLO C[C@@](O)(C1CC[NH+](Cc2ccc(C#N)cc2OC(F)F)CC1)C(F)(F)F ZINC000546637395 1016698104 /nfs/dbraw/zinc/69/81/04/1016698104.db2.gz AWKVZZKYISAWNU-MRXNPFEDSA-N 1 2 378.341 3.685 20 30 GHEDLO C=CCN(C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)[C@@H](C)COC ZINC001227422564 1032414921 /nfs/dbraw/zinc/41/49/21/1032414921.db2.gz LRSOTWNINWIIQM-MAUKXSAKSA-N 1 2 397.922 3.676 20 30 GHEDLO C=CCN(C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)[C@@H](C)COC ZINC001227422564 1032414924 /nfs/dbraw/zinc/41/49/24/1032414924.db2.gz LRSOTWNINWIIQM-MAUKXSAKSA-N 1 2 397.922 3.676 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+]2Cc2cc(O)c(C)cc2Br)C1=O ZINC001277215918 1032448099 /nfs/dbraw/zinc/44/80/99/1032448099.db2.gz WHCMLTOBRSIJSL-LJQANCHMSA-N 1 2 393.325 3.606 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2cc(O)c(C)cc2Br)C1=O ZINC001277215918 1032448103 /nfs/dbraw/zinc/44/81/03/1032448103.db2.gz WHCMLTOBRSIJSL-LJQANCHMSA-N 1 2 393.325 3.606 20 30 GHEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(F)ccc(F)c1Br ZINC001276444791 1032608369 /nfs/dbraw/zinc/60/83/69/1032608369.db2.gz AGXIOFAYVSCFBW-HZPDHXFCSA-N 1 2 399.279 3.869 20 30 GHEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c(F)ccc(F)c1Br ZINC001276444791 1032608374 /nfs/dbraw/zinc/60/83/74/1032608374.db2.gz AGXIOFAYVSCFBW-HZPDHXFCSA-N 1 2 399.279 3.869 20 30 GHEDLO Cn1c(C[N@H+](C)CCOCc2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1 ZINC000558176067 1017132886 /nfs/dbraw/zinc/13/28/86/1017132886.db2.gz YHVJDSSJYDLNBB-UHFFFAOYSA-N 1 2 395.894 3.656 20 30 GHEDLO Cn1c(C[N@@H+](C)CCOCc2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1 ZINC000558176067 1017132889 /nfs/dbraw/zinc/13/28/89/1017132889.db2.gz YHVJDSSJYDLNBB-UHFFFAOYSA-N 1 2 395.894 3.656 20 30 GHEDLO N#CC1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CCSCC1 ZINC000932511450 1018376217 /nfs/dbraw/zinc/37/62/17/1018376217.db2.gz CVATYZRQBRSYKC-INIZCTEOSA-N 1 2 395.931 3.597 20 30 GHEDLO N#CC1(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CCSCC1 ZINC000932511450 1018376233 /nfs/dbraw/zinc/37/62/33/1018376233.db2.gz CVATYZRQBRSYKC-INIZCTEOSA-N 1 2 395.931 3.597 20 30 GHEDLO COc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)sn1 ZINC000932945163 1018776424 /nfs/dbraw/zinc/77/64/24/1018776424.db2.gz RXDJLAPONJEPIP-OCAPTIKFSA-N 1 2 396.303 3.755 20 30 GHEDLO COc1cc(C[N@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)sn1 ZINC000932945163 1018776434 /nfs/dbraw/zinc/77/64/34/1018776434.db2.gz RXDJLAPONJEPIP-OCAPTIKFSA-N 1 2 396.303 3.755 20 30 GHEDLO Fc1ccc(C[NH+]2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)nc1 ZINC000932945508 1018776548 /nfs/dbraw/zinc/77/65/48/1018776548.db2.gz YRGMRECIBAYDHW-UWVGGRQHSA-N 1 2 378.238 3.824 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CCO[C@]2(CCC[C@@H]2COCc2ccccn2)C1 ZINC001204371866 1032812925 /nfs/dbraw/zinc/81/29/25/1032812925.db2.gz ZRJOEWNBWQPQPU-FYYLOGMGSA-N 1 2 377.488 3.541 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CCO[C@]2(CCC[C@@H]2COCc2ccccn2)C1 ZINC001204371866 1032812937 /nfs/dbraw/zinc/81/29/37/1032812937.db2.gz ZRJOEWNBWQPQPU-FYYLOGMGSA-N 1 2 377.488 3.541 20 30 GHEDLO N#Cc1cc(Br)ccc1CNc1ccccc1C[NH+]1CCOCC1 ZINC000572642355 1019790297 /nfs/dbraw/zinc/79/02/97/1019790297.db2.gz AVUIYFYMDYKDBW-UHFFFAOYSA-N 1 2 386.293 3.765 20 30 GHEDLO N#Cc1cc(F)cc(C2(C(=O)N3CCC(CCCn4cc[nH+]c4)CC3)CC2)c1 ZINC000579268808 1020399348 /nfs/dbraw/zinc/39/93/48/1020399348.db2.gz SMIPOJQHQRLAKT-UHFFFAOYSA-N 1 2 380.467 3.644 20 30 GHEDLO CCO[C@@H]1C[C@@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])C1(CC)CC ZINC000247134311 1021079131 /nfs/dbraw/zinc/07/91/31/1021079131.db2.gz SNKOJFZVPKLMAL-RTBURBONSA-N 1 2 396.535 3.630 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1n[nH]c3ccc(C)cc31)CC2 ZINC001140327456 1021410461 /nfs/dbraw/zinc/41/04/61/1021410461.db2.gz XISMOBFFERVHBL-UHFFFAOYSA-N 1 2 391.519 3.739 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1n[nH]c3ccc(C)cc31)CC2 ZINC001140327456 1021410470 /nfs/dbraw/zinc/41/04/70/1021410470.db2.gz XISMOBFFERVHBL-UHFFFAOYSA-N 1 2 391.519 3.739 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1[nH]nc3ccc(C)cc31)CC2 ZINC001140327456 1021410485 /nfs/dbraw/zinc/41/04/85/1021410485.db2.gz XISMOBFFERVHBL-UHFFFAOYSA-N 1 2 391.519 3.739 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1[nH]nc3ccc(C)cc31)CC2 ZINC001140327456 1021410494 /nfs/dbraw/zinc/41/04/94/1021410494.db2.gz XISMOBFFERVHBL-UHFFFAOYSA-N 1 2 391.519 3.739 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](Cc3cnc(-c4ccccc4F)nc3)CC2)c(F)c1 ZINC001140403312 1021572848 /nfs/dbraw/zinc/57/28/48/1021572848.db2.gz ACJZVVNHSFXBQX-UHFFFAOYSA-N 1 2 391.425 3.616 20 30 GHEDLO CCOC(=O)c1ccc(N2CC[NH+](Cc3cccc(C#N)c3Cl)CC2)cc1 ZINC001140812615 1022606865 /nfs/dbraw/zinc/60/68/65/1022606865.db2.gz CTHQQDVSGZCDCA-UHFFFAOYSA-N 1 2 383.879 3.711 20 30 GHEDLO C[NH+](C)c1ccc(N2CCC(N=Nc3ccc(C(F)(F)F)nn3)CC2)cc1 ZINC000754708929 1022847656 /nfs/dbraw/zinc/84/76/56/1022847656.db2.gz JJHBEISPXWSNOL-UHFFFAOYSA-N 1 2 378.402 3.630 20 30 GHEDLO C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1sc(N)c(C#N)c1Cl ZINC001141114537 1023531374 /nfs/dbraw/zinc/53/13/74/1023531374.db2.gz SHCWKGRBYWUNBC-MNOVXSKESA-N 1 2 384.933 3.733 20 30 GHEDLO C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1sc(N)c(C#N)c1Cl ZINC001141114537 1023531378 /nfs/dbraw/zinc/53/13/78/1023531378.db2.gz SHCWKGRBYWUNBC-MNOVXSKESA-N 1 2 384.933 3.733 20 30 GHEDLO C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1cc(Br)cc(F)c1O ZINC000756731947 1023792436 /nfs/dbraw/zinc/79/24/36/1023792436.db2.gz DPQQYWSKRPDCFX-NSHDSACASA-N 1 2 379.229 3.895 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@H](F)[C@@]2(CC[N@H+](Cc3ccc(F)cc3C#N)C2)C1 ZINC001141163486 1023989639 /nfs/dbraw/zinc/98/96/39/1023989639.db2.gz GQUAZHQLJIHDFS-GHTZIAJQSA-N 1 2 391.462 3.868 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@H](F)[C@@]2(CC[N@@H+](Cc3ccc(F)cc3C#N)C2)C1 ZINC001141163486 1023989644 /nfs/dbraw/zinc/98/96/44/1023989644.db2.gz GQUAZHQLJIHDFS-GHTZIAJQSA-N 1 2 391.462 3.868 20 30 GHEDLO C[C@@H]1CN(C2C[NH+](Cc3ccc(Oc4ccc(C#N)cc4)cc3)C2)C[C@@H](C)O1 ZINC001141297880 1024442211 /nfs/dbraw/zinc/44/22/11/1024442211.db2.gz DRNILDZDQRWHJX-QZTJIDSGSA-N 1 2 377.488 3.644 20 30 GHEDLO C[C@@H]1C[NH+](C2CN(Cc3ccc(Oc4ccc(C#N)cc4)cc3)C2)C[C@@H](C)O1 ZINC001141297880 1024442220 /nfs/dbraw/zinc/44/22/20/1024442220.db2.gz DRNILDZDQRWHJX-QZTJIDSGSA-N 1 2 377.488 3.644 20 30 GHEDLO CCOc1ccc([C@H](O)C2CC[NH+](Cc3c(C#N)cccc3[N+](=O)[O-])CC2)cc1 ZINC000839015203 1025520149 /nfs/dbraw/zinc/52/01/49/1025520149.db2.gz MPQZAXQTIJRVTN-QFIPXVFZSA-N 1 2 395.459 3.811 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@@H](F)[C@@](O)(C(F)(F)F)CC2)c1 ZINC001141654692 1026089826 /nfs/dbraw/zinc/08/98/26/1026089826.db2.gz GUOVNKPPHYOYAM-ZIAGYGMSSA-N 1 2 395.194 3.548 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@H+]2CC[C@@H](F)[C@@](O)(C(F)(F)F)CC2)c1 ZINC001141654692 1026089843 /nfs/dbraw/zinc/08/98/43/1026089843.db2.gz GUOVNKPPHYOYAM-ZIAGYGMSSA-N 1 2 395.194 3.548 20 30 GHEDLO N#Cc1ccc(F)cc1N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC001163279113 1026120814 /nfs/dbraw/zinc/12/08/14/1026120814.db2.gz ZFAVXMTVIZJSKS-UHFFFAOYSA-N 1 2 389.228 3.956 20 30 GHEDLO Cc1cccc(CO[C@H]2CO[C@@]3(CC[N@H+](Cc4cccc(Cl)c4C#N)C3)C2)n1 ZINC001139689591 1026541373 /nfs/dbraw/zinc/54/13/73/1026541373.db2.gz QPVXALKORAWQQH-KNQAVFIVSA-N 1 2 397.906 3.865 20 30 GHEDLO Cc1cccc(CO[C@H]2CO[C@@]3(CC[N@@H+](Cc4cccc(Cl)c4C#N)C3)C2)n1 ZINC001139689591 1026541384 /nfs/dbraw/zinc/54/13/84/1026541384.db2.gz QPVXALKORAWQQH-KNQAVFIVSA-N 1 2 397.906 3.865 20 30 GHEDLO C=CCn1cc(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@H](Cc3ccccc3)C2)cn1 ZINC001139768334 1026604267 /nfs/dbraw/zinc/60/42/67/1026604267.db2.gz NFHCHNFDTFJFBV-OAQYLSRUSA-N 1 2 396.535 3.733 20 30 GHEDLO C=CCn1cc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@H](Cc3ccccc3)C2)cn1 ZINC001139768334 1026604273 /nfs/dbraw/zinc/60/42/73/1026604273.db2.gz NFHCHNFDTFJFBV-OAQYLSRUSA-N 1 2 396.535 3.733 20 30 GHEDLO COc1ncc(C[NH+]2CCC(C#N)(c3ccc(Br)cc3)CC2)s1 ZINC001139817294 1026638906 /nfs/dbraw/zinc/63/89/06/1026638906.db2.gz GUMCRAVEUODGJY-UHFFFAOYSA-N 1 2 392.322 3.972 20 30 GHEDLO N#Cc1cc(F)cc(C[N@@H+]2CCO[C@]3(CCC[C@H]3COCc3cccnc3)C2)c1 ZINC001139876988 1026693109 /nfs/dbraw/zinc/69/31/09/1026693109.db2.gz TWNHZAJMBANWSZ-JTHBVZDNSA-N 1 2 395.478 3.680 20 30 GHEDLO N#Cc1cc(F)cc(C[N@H+]2CCO[C@]3(CCC[C@H]3COCc3cccnc3)C2)c1 ZINC001139876988 1026693121 /nfs/dbraw/zinc/69/31/21/1026693121.db2.gz TWNHZAJMBANWSZ-JTHBVZDNSA-N 1 2 395.478 3.680 20 30 GHEDLO N#Cc1ccc(CN2CC[N@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)c(F)c1 ZINC001140140186 1026914290 /nfs/dbraw/zinc/91/42/90/1026914290.db2.gz WATWEZVNYHKHIZ-LJQANCHMSA-N 1 2 377.385 3.946 20 30 GHEDLO N#Cc1ccc(CN2CC[N@@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)c(F)c1 ZINC001140140186 1026914292 /nfs/dbraw/zinc/91/42/92/1026914292.db2.gz WATWEZVNYHKHIZ-LJQANCHMSA-N 1 2 377.385 3.946 20 30 GHEDLO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1c1[nH+]ccc2[nH]cc(C#N)c21 ZINC001166804436 1027087481 /nfs/dbraw/zinc/08/74/81/1027087481.db2.gz YRGAECFGULEJNS-DAYGRLMNSA-N 1 2 379.508 3.734 20 30 GHEDLO C=CCn1c(-c2cccs2)nn(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1=S ZINC000840119355 1027238129 /nfs/dbraw/zinc/23/81/29/1027238129.db2.gz HGUWTPSVHLNFDD-OAGGEKHMSA-N 1 2 390.578 3.911 20 30 GHEDLO C=CCn1c(-c2cccs2)nn(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1=S ZINC000840119355 1027238152 /nfs/dbraw/zinc/23/81/52/1027238152.db2.gz HGUWTPSVHLNFDD-OAGGEKHMSA-N 1 2 390.578 3.911 20 30 GHEDLO CC(C)N1CCC2(CC[NH+](Cc3ccc(Br)cc3C#N)CC2)C1=O ZINC001141818867 1027356025 /nfs/dbraw/zinc/35/60/25/1027356025.db2.gz ZMTJIHGEXLINSM-UHFFFAOYSA-N 1 2 390.325 3.544 20 30 GHEDLO COC(=O)c1cnc(C[N@H+](Cc2cccc(C#N)c2)[C@@H](C)c2ccccc2)cn1 ZINC001141832542 1027386548 /nfs/dbraw/zinc/38/65/48/1027386548.db2.gz AYBDAIXNUBXKPM-KRWDZBQOSA-N 1 2 386.455 3.898 20 30 GHEDLO COC(=O)c1cnc(C[N@@H+](Cc2cccc(C#N)c2)[C@@H](C)c2ccccc2)cn1 ZINC001141832542 1027386563 /nfs/dbraw/zinc/38/65/63/1027386563.db2.gz AYBDAIXNUBXKPM-KRWDZBQOSA-N 1 2 386.455 3.898 20 30 GHEDLO CSc1nc(C[N@@H+]2CC[C@@H](C)N(C(=O)OC(C)(C)C)CC2)ccc1C#N ZINC001141932030 1027691347 /nfs/dbraw/zinc/69/13/47/1027691347.db2.gz QXSXQEIZUVICGW-CQSZACIVSA-N 1 2 376.526 3.506 20 30 GHEDLO CSc1nc(C[N@H+]2CC[C@@H](C)N(C(=O)OC(C)(C)C)CC2)ccc1C#N ZINC001141932030 1027691356 /nfs/dbraw/zinc/69/13/56/1027691356.db2.gz QXSXQEIZUVICGW-CQSZACIVSA-N 1 2 376.526 3.506 20 30 GHEDLO C[N@H+](CCC#N)C[C@H](O)CSc1nc2cc(C(F)(F)F)ccc2s1 ZINC000840738877 1027779866 /nfs/dbraw/zinc/77/98/66/1027779866.db2.gz JBZJYZMKOSKWER-NSHDSACASA-N 1 2 375.441 3.614 20 30 GHEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1nc2cc(C(F)(F)F)ccc2s1 ZINC000840738877 1027779886 /nfs/dbraw/zinc/77/98/86/1027779886.db2.gz JBZJYZMKOSKWER-NSHDSACASA-N 1 2 375.441 3.614 20 30 GHEDLO C=CCOC[C@H]1C[N@H+](Cc2ccnc3ccccc23)Cc2nnn(CC3CC3)c21 ZINC001204084927 1027860899 /nfs/dbraw/zinc/86/08/99/1027860899.db2.gz QCWUYIZTULODLV-LJQANCHMSA-N 1 2 389.503 3.538 20 30 GHEDLO C=CCOC[C@H]1C[N@@H+](Cc2ccnc3ccccc23)Cc2nnn(CC3CC3)c21 ZINC001204084927 1027860921 /nfs/dbraw/zinc/86/09/21/1027860921.db2.gz QCWUYIZTULODLV-LJQANCHMSA-N 1 2 389.503 3.538 20 30 GHEDLO C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC001142221981 1028410195 /nfs/dbraw/zinc/41/01/95/1028410195.db2.gz LDCFJYAHMOXCNB-IRXDYDNUSA-N 1 2 392.544 3.664 20 30 GHEDLO C#C[C@H]1CCC[N@@H+](Cc2cc3ccccc3n2S(=O)(=O)c2ccccc2)C1 ZINC001142572669 1029080310 /nfs/dbraw/zinc/08/03/10/1029080310.db2.gz WLWWYFWFQXPDPW-SFHVURJKSA-N 1 2 378.497 3.724 20 30 GHEDLO C#C[C@H]1CCC[N@H+](Cc2cc3ccccc3n2S(=O)(=O)c2ccccc2)C1 ZINC001142572669 1029080331 /nfs/dbraw/zinc/08/03/31/1029080331.db2.gz WLWWYFWFQXPDPW-SFHVURJKSA-N 1 2 378.497 3.724 20 30 GHEDLO C#CC[C@@H]1CCC[N@@H+](Cn2nc(COc3ccccc3)n(CC=C)c2=S)C1 ZINC000842630178 1029434493 /nfs/dbraw/zinc/43/44/93/1029434493.db2.gz ZCTUGYGIUYXDEF-GOSISDBHSA-N 1 2 382.533 3.872 20 30 GHEDLO C#CC[C@@H]1CCC[N@H+](Cn2nc(COc3ccccc3)n(CC=C)c2=S)C1 ZINC000842630178 1029434497 /nfs/dbraw/zinc/43/44/97/1029434497.db2.gz ZCTUGYGIUYXDEF-GOSISDBHSA-N 1 2 382.533 3.872 20 30 GHEDLO N#Cc1ccc(C[NH+](Cc2ccc(C#N)cc2)Cc2cc3c(cn2)OCCO3)cc1 ZINC001143070436 1029822075 /nfs/dbraw/zinc/82/20/75/1029822075.db2.gz JXGZTCHWSGKJQN-UHFFFAOYSA-N 1 2 396.450 3.799 20 30 GHEDLO N#Cc1ccc(F)c(C[N@H+](Cc2ccccc2)[C@@H]2CCCN3C(=O)OC[C@H]23)c1F ZINC001143173083 1029881749 /nfs/dbraw/zinc/88/17/49/1029881749.db2.gz NUNLJARCEGIFLO-WOJBJXKFSA-N 1 2 397.425 3.822 20 30 GHEDLO N#Cc1ccc(F)c(C[N@@H+](Cc2ccccc2)[C@@H]2CCCN3C(=O)OC[C@H]23)c1F ZINC001143173083 1029881754 /nfs/dbraw/zinc/88/17/54/1029881754.db2.gz NUNLJARCEGIFLO-WOJBJXKFSA-N 1 2 397.425 3.822 20 30 GHEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1c(Cl)cc(C)cc1Cl)C2 ZINC001276894904 1030605164 /nfs/dbraw/zinc/60/51/64/1030605164.db2.gz KTRMIPVFMLAQLI-IBGZPJMESA-N 1 2 383.319 3.539 20 30 GHEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1c(Cl)cc(C)cc1Cl)C2 ZINC001276894904 1030605176 /nfs/dbraw/zinc/60/51/76/1030605176.db2.gz KTRMIPVFMLAQLI-IBGZPJMESA-N 1 2 383.319 3.539 20 30 GHEDLO N#CCCCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccsc1Br ZINC001276773210 1030798800 /nfs/dbraw/zinc/79/88/00/1030798800.db2.gz AVKXQEKTKNCBEM-QGZVFWFLSA-N 1 2 396.354 3.771 20 30 GHEDLO N#CCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccsc1Br ZINC001276773210 1030798817 /nfs/dbraw/zinc/79/88/17/1030798817.db2.gz AVKXQEKTKNCBEM-QGZVFWFLSA-N 1 2 396.354 3.771 20 30 GHEDLO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1c(O)c(O)cc2oc(-c3ccccc3)cc(=O)c21 ZINC001218451427 1030942321 /nfs/dbraw/zinc/94/23/21/1030942321.db2.gz GKUBFTFWOIOTDV-CRAIPNDOSA-N 1 2 393.439 3.947 20 30 GHEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccnc(Cl)c1Br ZINC001277000235 1031138898 /nfs/dbraw/zinc/13/88/98/1031138898.db2.gz XOUMCKCBRFBWMW-ZIAGYGMSSA-N 1 2 398.732 3.639 20 30 GHEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccnc(Cl)c1Br ZINC001277000235 1031138911 /nfs/dbraw/zinc/13/89/11/1031138911.db2.gz XOUMCKCBRFBWMW-ZIAGYGMSSA-N 1 2 398.732 3.639 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCC[C@@]23CCN(CCC(F)(F)F)C3=O)c(Cl)c1 ZINC001277030964 1031332646 /nfs/dbraw/zinc/33/26/46/1031332646.db2.gz PAMSVMDWYNJACS-KRWDZBQOSA-N 1 2 385.817 3.731 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@]23CCN(CCC(F)(F)F)C3=O)c(Cl)c1 ZINC001277030964 1031332659 /nfs/dbraw/zinc/33/26/59/1031332659.db2.gz PAMSVMDWYNJACS-KRWDZBQOSA-N 1 2 385.817 3.731 20 30 GHEDLO N#Cc1ccc(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1C(F)(F)F ZINC001226139433 1031807366 /nfs/dbraw/zinc/80/73/66/1031807366.db2.gz CUTBNFORBXDQNJ-GOSISDBHSA-N 1 2 376.378 3.857 20 30 GHEDLO N#Cc1ccc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1C(F)(F)F ZINC001226139433 1031807377 /nfs/dbraw/zinc/80/73/77/1031807377.db2.gz CUTBNFORBXDQNJ-GOSISDBHSA-N 1 2 376.378 3.857 20 30 GHEDLO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(NC(=N)c2nccs2)n1 ZINC001157497302 1033621176 /nfs/dbraw/zinc/62/11/76/1033621176.db2.gz HSXGJRSKOXQDGB-UHFFFAOYSA-N 1 2 394.529 3.913 20 30 GHEDLO CCOC(=O)CC1CC(Oc2nc(C)c(-c3ccc4[nH+]ccn4c3)cc2C#N)C1 ZINC001229766471 1033698124 /nfs/dbraw/zinc/69/81/24/1033698124.db2.gz ODRJAXKDZQIMQK-UHFFFAOYSA-N 1 2 390.443 3.687 20 30 GHEDLO C=CCc1ccnc(-c2cc(C[NH+]3CCOCC3)ccc2OC)c1C(OC)OC ZINC001206490127 1033867921 /nfs/dbraw/zinc/86/79/21/1033867921.db2.gz LMLQRZKSSCXRBQ-UHFFFAOYSA-N 1 2 398.503 3.609 20 30 GHEDLO C#Cc1cccc(CNC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)c1 ZINC001230084754 1033889317 /nfs/dbraw/zinc/88/93/17/1033889317.db2.gz DGJWMGJVWFABQD-UHFFFAOYSA-N 1 2 392.890 3.930 20 30 GHEDLO N#CCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(Cl)c(F)cc1F)CC2 ZINC001276495495 1034004132 /nfs/dbraw/zinc/00/41/32/1034004132.db2.gz UQLVHKVEBHWILB-AWEZNQCLSA-N 1 2 381.854 3.640 20 30 GHEDLO Cn1cc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](Cc3ccccc3)C2)cc1C#N ZINC001207103178 1034093501 /nfs/dbraw/zinc/09/35/01/1034093501.db2.gz NIFOOGZXWDLJJJ-NRFANRHFSA-N 1 2 394.519 3.561 20 30 GHEDLO Cn1cc(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](Cc3ccccc3)C2)cc1C#N ZINC001207103178 1034093510 /nfs/dbraw/zinc/09/35/10/1034093510.db2.gz NIFOOGZXWDLJJJ-NRFANRHFSA-N 1 2 394.519 3.561 20 30 GHEDLO N#Cc1cnc(Cl)cc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001158544793 1034139379 /nfs/dbraw/zinc/13/93/79/1034139379.db2.gz DPYRXEKWRAAWII-INIZCTEOSA-N 1 2 380.801 3.860 20 30 GHEDLO N#Cc1cnc(Cl)cc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001158544793 1034139389 /nfs/dbraw/zinc/13/93/89/1034139389.db2.gz DPYRXEKWRAAWII-INIZCTEOSA-N 1 2 380.801 3.860 20 30 GHEDLO Fc1cccnc1C[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001207704296 1034535843 /nfs/dbraw/zinc/53/58/43/1034535843.db2.gz PUODRVZUNWSIIU-HTQZYQBOSA-N 1 2 378.238 3.824 20 30 GHEDLO C=CCN1CCC2(CC[NH+](Cc3cnc(Cl)c(C(F)(F)F)c3)CC2)C1=O ZINC001277523090 1034629454 /nfs/dbraw/zinc/62/94/54/1034629454.db2.gz PQEMGWOMYHTHMA-UHFFFAOYSA-N 1 2 387.833 3.754 20 30 GHEDLO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccsc1C#N)c1ccccc1Cl ZINC001208032292 1034710965 /nfs/dbraw/zinc/71/09/65/1034710965.db2.gz RHMVKUHMUGDYCM-HNNXBMFYSA-N 1 2 397.953 3.635 20 30 GHEDLO C(#Cc1ccccc1CN1CCc2onc(Cn3cc[nH+]c3)c2C1)c1ccccc1 ZINC001231577164 1034727895 /nfs/dbraw/zinc/72/78/95/1034727895.db2.gz QCCLQZSRSYEQFM-UHFFFAOYSA-N 1 2 394.478 3.878 20 30 GHEDLO COc1cc(C#N)ccc1CN1CC[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001231621899 1034780110 /nfs/dbraw/zinc/78/01/10/1034780110.db2.gz LUFATUVUOUERBD-FQEVSTJZSA-N 1 2 389.421 3.816 20 30 GHEDLO COc1cc(C#N)ccc1CN1CC[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC001231621899 1034780124 /nfs/dbraw/zinc/78/01/24/1034780124.db2.gz LUFATUVUOUERBD-FQEVSTJZSA-N 1 2 389.421 3.816 20 30 GHEDLO N#Cc1ccc(NC(=S)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1C(F)(F)F ZINC001245771135 1036993409 /nfs/dbraw/zinc/99/34/09/1036993409.db2.gz RCWSBIDTAFCKJF-HNNXBMFYSA-N 1 2 392.406 3.822 20 30 GHEDLO N#Cc1ccc(NC(=S)NC2CC[NH+](Cc3c(F)cccc3F)CC2)cc1 ZINC001245951715 1037077300 /nfs/dbraw/zinc/07/73/00/1037077300.db2.gz ZHDXMULHGZDIQA-UHFFFAOYSA-N 1 2 386.471 3.787 20 30 GHEDLO C=CCOC[C@@H]1C[N@H+](Cc2cccc3c2CCCC3)Cc2nnn(CC3CC3)c21 ZINC001232635551 1038422366 /nfs/dbraw/zinc/42/23/66/1038422366.db2.gz KVUDGCNBAFAZLW-NRFANRHFSA-N 1 2 392.547 3.869 20 30 GHEDLO C=CCOC[C@@H]1C[N@@H+](Cc2cccc3c2CCCC3)Cc2nnn(CC3CC3)c21 ZINC001232635551 1038422373 /nfs/dbraw/zinc/42/23/73/1038422373.db2.gz KVUDGCNBAFAZLW-NRFANRHFSA-N 1 2 392.547 3.869 20 30 GHEDLO N#Cc1ccc(O)c(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccc(F)c2)C3)c1 ZINC001232675546 1038472501 /nfs/dbraw/zinc/47/25/01/1038472501.db2.gz BDYJCBKXFSHREK-HSZRJFAPSA-N 1 2 395.478 3.522 20 30 GHEDLO N#Cc1ccc(O)c(C[N@H+]2CCC[C@]3(C2)COCCN(c2cccc(F)c2)C3)c1 ZINC001232675546 1038472541 /nfs/dbraw/zinc/47/25/41/1038472541.db2.gz BDYJCBKXFSHREK-HSZRJFAPSA-N 1 2 395.478 3.522 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1[nH]nc3cc(F)ccc31)CC2 ZINC001233121945 1038909993 /nfs/dbraw/zinc/90/99/93/1038909993.db2.gz PDUOPPMKJFBSDV-UHFFFAOYSA-N 1 2 395.482 3.569 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1[nH]nc3cc(F)ccc31)CC2 ZINC001233121945 1038909994 /nfs/dbraw/zinc/90/99/94/1038909994.db2.gz PDUOPPMKJFBSDV-UHFFFAOYSA-N 1 2 395.482 3.569 20 30 GHEDLO N#Cc1ccc(CN2CC[N@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)c(O)c1 ZINC001233388101 1039212656 /nfs/dbraw/zinc/21/26/56/1039212656.db2.gz LQGUJNCPXSLDRB-LJQANCHMSA-N 1 2 375.394 3.513 20 30 GHEDLO N#Cc1ccc(CN2CC[N@@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)c(O)c1 ZINC001233388101 1039212667 /nfs/dbraw/zinc/21/26/67/1039212667.db2.gz LQGUJNCPXSLDRB-LJQANCHMSA-N 1 2 375.394 3.513 20 30 GHEDLO CCCCCCCCCC[C@@H](O)C[N@@H+]1CCc2c(nnn2CC)[C@@H]1COC ZINC001252978362 1039308221 /nfs/dbraw/zinc/30/82/21/1039308221.db2.gz ADWMJAKOAIVRFM-QUCCMNQESA-N 1 2 380.577 3.735 20 30 GHEDLO CCCCCCCCCC[C@@H](O)C[N@H+]1CCc2c(nnn2CC)[C@@H]1COC ZINC001252978362 1039308239 /nfs/dbraw/zinc/30/82/39/1039308239.db2.gz ADWMJAKOAIVRFM-QUCCMNQESA-N 1 2 380.577 3.735 20 30 GHEDLO CCCCCCCCCC[C@H](O)CNc1cnn(CC[NH+]2CCOCC2)c1 ZINC001252979072 1039309864 /nfs/dbraw/zinc/30/98/64/1039309864.db2.gz IRFACJCHHNKLRH-NRFANRHFSA-N 1 2 380.577 3.519 20 30 GHEDLO CC1(C)C[N@H+](Cc2ccccc2)C[C@H](COc2ccc(C(=O)CC#N)cc2)O1 ZINC001233523183 1039409904 /nfs/dbraw/zinc/40/99/04/1039409904.db2.gz VWLMWGFPFYMQAB-OAQYLSRUSA-N 1 2 378.472 3.841 20 30 GHEDLO CC1(C)C[N@@H+](Cc2ccccc2)C[C@H](COc2ccc(C(=O)CC#N)cc2)O1 ZINC001233523183 1039409927 /nfs/dbraw/zinc/40/99/27/1039409927.db2.gz VWLMWGFPFYMQAB-OAQYLSRUSA-N 1 2 378.472 3.841 20 30 GHEDLO N#Cc1ccc(C(F)(F)F)cc1OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001233731981 1039574962 /nfs/dbraw/zinc/57/49/62/1039574962.db2.gz GRLZAIOBWALNGA-SFHVURJKSA-N 1 2 376.378 3.857 20 30 GHEDLO N#Cc1ccc(C(F)(F)F)cc1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001233731981 1039574979 /nfs/dbraw/zinc/57/49/79/1039574979.db2.gz GRLZAIOBWALNGA-SFHVURJKSA-N 1 2 376.378 3.857 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(OC)c(Cl)c1O ZINC001277834754 1039882793 /nfs/dbraw/zinc/88/27/93/1039882793.db2.gz UILDTKXFPUEHID-FQEVSTJZSA-N 1 2 378.900 3.587 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(OC)c(Cl)c1O ZINC001277834754 1039882810 /nfs/dbraw/zinc/88/28/10/1039882810.db2.gz UILDTKXFPUEHID-FQEVSTJZSA-N 1 2 378.900 3.587 20 30 GHEDLO CC(C)(C)OC(=O)N1CCOC2(CCC([NH2+]C3(C#N)CCCCC3)CC2)C1 ZINC001254716512 1040475003 /nfs/dbraw/zinc/47/50/03/1040475003.db2.gz PTADCZLPIJTIIR-UHFFFAOYSA-N 1 2 377.529 3.751 20 30 GHEDLO C=C[C@H]1C[C@@]1([NH2+]C1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1)C(=O)OCC ZINC001254874005 1040619078 /nfs/dbraw/zinc/61/90/78/1040619078.db2.gz WGAHSTXYBIBGCX-NVSSJZJMSA-N 1 2 392.540 3.654 20 30 GHEDLO Cn1cnc2c1[C@@H](COCC1CCCC1)C[N@H+](Cc1ccccc1CC#N)C2 ZINC001235513590 1040970645 /nfs/dbraw/zinc/97/06/45/1040970645.db2.gz DCHYFHFJUYJTIH-OAQYLSRUSA-N 1 2 378.520 3.792 20 30 GHEDLO Cn1cnc2c1[C@@H](COCC1CCCC1)C[N@@H+](Cc1ccccc1CC#N)C2 ZINC001235513590 1040970652 /nfs/dbraw/zinc/97/06/52/1040970652.db2.gz DCHYFHFJUYJTIH-OAQYLSRUSA-N 1 2 378.520 3.792 20 30 GHEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H]2CN(C(=O)Cc3ccsc3)C[C@H]21 ZINC001278867602 1041066672 /nfs/dbraw/zinc/06/66/72/1041066672.db2.gz UUWVEWRZSGPLCY-QFBILLFUSA-N 1 2 385.920 3.549 20 30 GHEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H]2CN(C(=O)Cc3ccsc3)C[C@H]21 ZINC001278867602 1041066680 /nfs/dbraw/zinc/06/66/80/1041066680.db2.gz UUWVEWRZSGPLCY-QFBILLFUSA-N 1 2 385.920 3.549 20 30 GHEDLO N#Cc1cc(F)c(C[N@@H+]2CC[C@H]3O[C@H](COCc4cccnc4)CC[C@H]32)c(F)c1 ZINC001235654776 1041101692 /nfs/dbraw/zinc/10/16/92/1041101692.db2.gz RVCZSZXIYXRXGV-MTNREXPMSA-N 1 2 399.441 3.570 20 30 GHEDLO N#Cc1cc(F)c(C[N@H+]2CC[C@H]3O[C@H](COCc4cccnc4)CC[C@H]32)c(F)c1 ZINC001235654776 1041101709 /nfs/dbraw/zinc/10/17/09/1041101709.db2.gz RVCZSZXIYXRXGV-MTNREXPMSA-N 1 2 399.441 3.570 20 30 GHEDLO COC(=O)c1ccc(OC2CC[NH+](Cc3c(F)cc(C#N)cc3F)CC2)cc1 ZINC001235657236 1041104561 /nfs/dbraw/zinc/10/45/61/1041104561.db2.gz NQYUFBWTIOQPEZ-UHFFFAOYSA-N 1 2 386.398 3.666 20 30 GHEDLO Cc1ccc(N2C[C@@]3(CC[N@H+](Cc4c(F)cc(C#N)cc4F)C3)CC2=O)s1 ZINC001235657046 1041105172 /nfs/dbraw/zinc/10/51/72/1041105172.db2.gz JNXCWADALSRFKL-FQEVSTJZSA-N 1 2 387.455 3.835 20 30 GHEDLO Cc1ccc(N2C[C@@]3(CC[N@@H+](Cc4c(F)cc(C#N)cc4F)C3)CC2=O)s1 ZINC001235657046 1041105192 /nfs/dbraw/zinc/10/51/92/1041105192.db2.gz JNXCWADALSRFKL-FQEVSTJZSA-N 1 2 387.455 3.835 20 30 GHEDLO CC(C)(C)OC(=O)NC(=S)C1CC[NH+](Cc2c(F)cc(C#N)cc2F)CC1 ZINC001235668383 1041121232 /nfs/dbraw/zinc/12/12/32/1041121232.db2.gz XXWMXWZOVVNDNZ-UHFFFAOYSA-N 1 2 395.475 3.901 20 30 GHEDLO Cc1cc(Br)c(O)c(C[NH+]2CCN(c3cccc(C#N)c3)CC2)c1 ZINC001236670185 1041818175 /nfs/dbraw/zinc/81/81/75/1041818175.db2.gz WEHAFAPHBXOMAW-UHFFFAOYSA-N 1 2 386.293 3.657 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1ccnc2c(Cl)cccc12 ZINC001237147612 1042064815 /nfs/dbraw/zinc/06/48/15/1042064815.db2.gz IHSBCNLZKNPUOU-LJQANCHMSA-N 1 2 382.895 3.924 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccnc2c(Cl)cccc12 ZINC001237147612 1042064818 /nfs/dbraw/zinc/06/48/18/1042064818.db2.gz IHSBCNLZKNPUOU-LJQANCHMSA-N 1 2 382.895 3.924 20 30 GHEDLO COc1cc(C#N)ccc1OC1CC[NH+](Cc2ccc(Cl)nc2OC)CC1 ZINC001237250569 1042107699 /nfs/dbraw/zinc/10/76/99/1042107699.db2.gz DGMUTRGOSBUTJW-UHFFFAOYSA-N 1 2 387.867 3.667 20 30 GHEDLO CC(C)(C)OC(=O)NC[C@]1(C)CCC[N@H+](Cc2cc(C#N)c(F)cc2F)C1 ZINC001237531930 1042253381 /nfs/dbraw/zinc/25/33/81/1042253381.db2.gz SWJQGTVWAXTDMF-FQEVSTJZSA-N 1 2 379.451 3.963 20 30 GHEDLO CC(C)(C)OC(=O)NC[C@]1(C)CCC[N@@H+](Cc2cc(C#N)c(F)cc2F)C1 ZINC001237531930 1042253388 /nfs/dbraw/zinc/25/33/88/1042253388.db2.gz SWJQGTVWAXTDMF-FQEVSTJZSA-N 1 2 379.451 3.963 20 30 GHEDLO C=CCOCc1ncn2c1C[N@H+](Cc1ccc3ncnc(Cl)c3c1)CCC2 ZINC001237576542 1042269230 /nfs/dbraw/zinc/26/92/30/1042269230.db2.gz MGXRTGVNVDDFPL-UHFFFAOYSA-N 1 2 383.883 3.588 20 30 GHEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1ccc3ncnc(Cl)c3c1)CCC2 ZINC001237576542 1042269233 /nfs/dbraw/zinc/26/92/33/1042269233.db2.gz MGXRTGVNVDDFPL-UHFFFAOYSA-N 1 2 383.883 3.588 20 30 GHEDLO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cc(F)cc(Cl)c3O)C2)C1 ZINC001237808735 1042380060 /nfs/dbraw/zinc/38/00/60/1042380060.db2.gz WDASJSNBIRAANN-LJQANCHMSA-N 1 2 382.863 3.795 20 30 GHEDLO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](Cc3cc(F)cc(Cl)c3O)C2)C1 ZINC001237808735 1042380065 /nfs/dbraw/zinc/38/00/65/1042380065.db2.gz WDASJSNBIRAANN-LJQANCHMSA-N 1 2 382.863 3.795 20 30 GHEDLO COc1cc(C[NH+]2CC(c3ncn4cc(Br)ccc34)C2)ccc1C#N ZINC001238412895 1042588246 /nfs/dbraw/zinc/58/82/46/1042588246.db2.gz JUFDMILIICSBNF-UHFFFAOYSA-N 1 2 397.276 3.576 20 30 GHEDLO C#C[C@H](NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Br)cc1 ZINC001298541301 1045862355 /nfs/dbraw/zinc/86/23/55/1045862355.db2.gz FIPSTKZPBHHEAU-IBGZPJMESA-N 1 2 394.272 3.668 20 30 GHEDLO C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001301087763 1046331870 /nfs/dbraw/zinc/33/18/70/1046331870.db2.gz SWQGUFGUIGTORG-UHFFFAOYSA-N 1 2 393.466 3.616 20 30 GHEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@@H]([C@@H]2CCCC2(C)C)C1 ZINC001262873945 1046396079 /nfs/dbraw/zinc/39/60/79/1046396079.db2.gz ZDNDSOBUKHBXJM-MOPGFXCFSA-N 1 2 384.572 3.561 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@@H]([C@H]2CCCO2)C1 ZINC001262977807 1046462314 /nfs/dbraw/zinc/46/23/14/1046462314.db2.gz OPJVFPBEMOMOTE-CEWLAPEOSA-N 1 2 395.551 3.662 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@@H]([C@H]2CCCO2)C1 ZINC001262977807 1046462317 /nfs/dbraw/zinc/46/23/17/1046462317.db2.gz OPJVFPBEMOMOTE-CEWLAPEOSA-N 1 2 395.551 3.662 20 30 GHEDLO C=C(C)Cn1c(Nc2ccc(OC)cc2)nnc1C1CC[NH+](CCC#N)CC1 ZINC001263302425 1046700760 /nfs/dbraw/zinc/70/07/60/1046700760.db2.gz RGQVUBWVNKLGMB-UHFFFAOYSA-N 1 2 380.496 3.699 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 ZINC001263305316 1046703640 /nfs/dbraw/zinc/70/36/40/1046703640.db2.gz VZILWZXXJCCGDP-QRVBRYPASA-N 1 2 386.544 3.547 20 30 GHEDLO CN(CCCNC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)c1cccc[nH+]1 ZINC001302974944 1047223558 /nfs/dbraw/zinc/22/35/58/1047223558.db2.gz KAIYNFJSJLIRPE-UHFFFAOYSA-N 1 2 385.471 3.953 20 30 GHEDLO C#C[C@H](C)N(C)c1nnc(CC2CCCC2)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001286306123 1048267661 /nfs/dbraw/zinc/26/76/61/1048267661.db2.gz YICNGTQQSQVUNP-HKUYNNGSSA-N 1 2 380.540 3.551 20 30 GHEDLO C=CCC(C)(C)Cn1c(-c2ccccc2C)nnc1N(C)CC[NH+]1CCOCC1 ZINC001286669057 1048434215 /nfs/dbraw/zinc/43/42/15/1048434215.db2.gz YMYADNASQDDSGB-UHFFFAOYSA-N 1 2 397.567 3.624 20 30 GHEDLO N#Cc1cnc(N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)c([N+](=O)[O-])c1 ZINC001306968161 1048984439 /nfs/dbraw/zinc/98/44/39/1048984439.db2.gz VQUJWOANKWOGBL-HNNXBMFYSA-N 1 2 389.818 3.730 20 30 GHEDLO N#Cc1cnc(N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)c([N+](=O)[O-])c1 ZINC001306968161 1048984444 /nfs/dbraw/zinc/98/44/44/1048984444.db2.gz VQUJWOANKWOGBL-HNNXBMFYSA-N 1 2 389.818 3.730 20 30 GHEDLO Cc1ccc(N2CC[NH+](CC(=O)N(CCC#N)c3ccc(C)c(C)c3)CC2)cc1 ZINC001307601174 1049440629 /nfs/dbraw/zinc/44/06/29/1049440629.db2.gz FGKDSSCGZOWSBZ-UHFFFAOYSA-N 1 2 390.531 3.681 20 30 GHEDLO CC(C)(C)OC(=O)N[C@H]1CCCCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC001307993761 1049744973 /nfs/dbraw/zinc/74/49/73/1049744973.db2.gz SVISZVOUGRKWFO-INIZCTEOSA-N 1 2 388.468 3.736 20 30 GHEDLO CC(C)(C)OC(=O)N[C@H]1CCCCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC001307993761 1049744978 /nfs/dbraw/zinc/74/49/78/1049744978.db2.gz SVISZVOUGRKWFO-INIZCTEOSA-N 1 2 388.468 3.736 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH+]2CCC(O)(C(C)C)CC2)c1C#N ZINC001308159042 1049892460 /nfs/dbraw/zinc/89/24/60/1049892460.db2.gz GHXPPFVDMPNBCH-UHFFFAOYSA-N 1 2 386.540 3.513 20 30 GHEDLO CN(c1nnc(C2CC[NH+](CCC#N)CC2)n1CCc1ccccc1)C1CCC1 ZINC001342373554 1053134468 /nfs/dbraw/zinc/13/44/68/1053134468.db2.gz HDWANPMQTCALBT-UHFFFAOYSA-N 1 2 392.551 3.603 20 30 GHEDLO C=C(C)Cn1c(N2CCC(Nc3cccc[nH+]3)CC2)nnc1[C@]1(C)CCC=CO1 ZINC001342708502 1053312485 /nfs/dbraw/zinc/31/24/85/1053312485.db2.gz SWXUDTFXASPOJS-QFIPXVFZSA-N 1 2 394.523 3.869 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCO[C@H](c2cccc(F)c2)C1 ZINC001342977174 1053473697 /nfs/dbraw/zinc/47/36/97/1053473697.db2.gz CNELXKUUZFQEOX-PMACEKPBSA-N 1 2 399.514 3.728 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCO[C@H](c2cccc(F)c2)C1 ZINC001342977174 1053473701 /nfs/dbraw/zinc/47/37/01/1053473701.db2.gz CNELXKUUZFQEOX-PMACEKPBSA-N 1 2 399.514 3.728 20 30 GHEDLO C=CC1CCN(c2nnc([C@@H](C)[N@H+](C)Cc3ccccc3)n2CCOC)CC1 ZINC001343106725 1053556476 /nfs/dbraw/zinc/55/64/76/1053556476.db2.gz YTEHFUNRGGNVFK-GOSISDBHSA-N 1 2 383.540 3.520 20 30 GHEDLO C=CC1CCN(c2nnc([C@@H](C)[N@@H+](C)Cc3ccccc3)n2CCOC)CC1 ZINC001343106725 1053556490 /nfs/dbraw/zinc/55/64/90/1053556490.db2.gz YTEHFUNRGGNVFK-GOSISDBHSA-N 1 2 383.540 3.520 20 30 GHEDLO CC(C)C[C@H](c1nnc(N(C)C[C@H](C)C#N)n1Cc1cccs1)n1cc[nH+]c1 ZINC001343512645 1053830311 /nfs/dbraw/zinc/83/03/11/1053830311.db2.gz LMATTYPJTLHIOZ-SJLPKXTDSA-N 1 2 397.552 3.816 20 30 GHEDLO C[N@@H+]1CCCC[C@H]1c1nnc(N2CCC[C@H](CC#N)C2)n1Cc1cccs1 ZINC001343637407 1053941389 /nfs/dbraw/zinc/94/13/89/1053941389.db2.gz VZOCRXJULLJLNF-AEFFLSMTSA-N 1 2 384.553 3.675 20 30 GHEDLO C[N@H+]1CCCC[C@H]1c1nnc(N2CCC[C@H](CC#N)C2)n1Cc1cccs1 ZINC001343637407 1053941395 /nfs/dbraw/zinc/94/13/95/1053941395.db2.gz VZOCRXJULLJLNF-AEFFLSMTSA-N 1 2 384.553 3.675 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N(C)Cc1cnc(C(C)C)nc1 ZINC001343929143 1054123824 /nfs/dbraw/zinc/12/38/24/1054123824.db2.gz VRDBWDYLSUUOJF-SFHVURJKSA-N 1 2 383.544 3.561 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N(C)Cc1cnc(C(C)C)nc1 ZINC001343929143 1054123829 /nfs/dbraw/zinc/12/38/29/1054123829.db2.gz VRDBWDYLSUUOJF-SFHVURJKSA-N 1 2 383.544 3.561 20 30 GHEDLO C#C[C@]1(C)CCCN1c1nnc([C@H](C)CC)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001300779685 1057015864 /nfs/dbraw/zinc/01/58/64/1057015864.db2.gz DICRBEDASVSUMK-RADWXHQJSA-N 1 2 380.540 3.866 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC(c2ccc(O)cc2)CC1 ZINC001355928486 1057320083 /nfs/dbraw/zinc/32/00/83/1057320083.db2.gz COXXGQKRAQUGPI-HXUWFJFHSA-N 1 2 381.524 3.711 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC(c2ccc(O)cc2)CC1 ZINC001355928486 1057320088 /nfs/dbraw/zinc/32/00/88/1057320088.db2.gz COXXGQKRAQUGPI-HXUWFJFHSA-N 1 2 381.524 3.711 20 30 GHEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@H]1c1ccccc1Cl ZINC001338138351 1058421478 /nfs/dbraw/zinc/42/14/78/1058421478.db2.gz JGGKMZANGWSENE-IBGZPJMESA-N 1 2 398.942 3.903 20 30 GHEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1Cc2ccccc2[C@@H](C)C1 ZINC001338690533 1058733439 /nfs/dbraw/zinc/73/34/39/1058733439.db2.gz LSSRFPANSGLNLF-DSKINZAPSA-N 1 2 393.535 3.514 20 30 GHEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1Cc2ccccc2[C@@H](C)C1 ZINC001338690533 1058733448 /nfs/dbraw/zinc/73/34/48/1058733448.db2.gz LSSRFPANSGLNLF-DSKINZAPSA-N 1 2 393.535 3.514 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)[C@@H](C)c1ccccc1 ZINC001339108743 1058963625 /nfs/dbraw/zinc/96/36/25/1058963625.db2.gz GMEYASANHHDCBX-SFHVURJKSA-N 1 2 378.524 3.755 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@@H]1c1cccc(Cl)c1 ZINC001339880012 1059534631 /nfs/dbraw/zinc/53/46/31/1059534631.db2.gz KJAUEKYADHAYNP-QGZVFWFLSA-N 1 2 382.899 3.783 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC[C@@H](OCC(C)C)C1 ZINC001340517731 1059959984 /nfs/dbraw/zinc/95/99/84/1059959984.db2.gz YTQMFDYUPLIUFM-RTBURBONSA-N 1 2 386.544 3.547 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)[C@@H](C)c1cccs1 ZINC001340628318 1060002810 /nfs/dbraw/zinc/00/28/10/1060002810.db2.gz XKRRJNRWSOULIZ-INIZCTEOSA-N 1 2 384.553 3.816 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)[C@@H](C)c1cc2ccccc2o1 ZINC001340733261 1060082602 /nfs/dbraw/zinc/08/26/02/1060082602.db2.gz PXKMSQZYRWGPKR-HNNXBMFYSA-N 1 2 376.464 3.732 20 30 GHEDLO C#C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccncc1)c1ccc(Cl)cc1F ZINC001341758567 1060869310 /nfs/dbraw/zinc/86/93/10/1060869310.db2.gz MWPGIKXRDOKONO-UXHICEINSA-N 1 2 385.870 3.719 20 30 GHEDLO C#C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccncc1)c1ccc(Cl)cc1F ZINC001341758567 1060869332 /nfs/dbraw/zinc/86/93/32/1060869332.db2.gz MWPGIKXRDOKONO-UXHICEINSA-N 1 2 385.870 3.719 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCCC[C@H](C2CCOCC2)C1 ZINC001342006146 1060992850 /nfs/dbraw/zinc/99/28/50/1060992850.db2.gz WTIJSTVDCDRHGS-PMACEKPBSA-N 1 2 387.572 3.654 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCCC[C@H](C2CCOCC2)C1 ZINC001342006146 1060992853 /nfs/dbraw/zinc/99/28/53/1060992853.db2.gz WTIJSTVDCDRHGS-PMACEKPBSA-N 1 2 387.572 3.654 20 30 GHEDLO C=C(C)Cn1c(-c2csc(C)n2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001342080204 1061044865 /nfs/dbraw/zinc/04/48/65/1061044865.db2.gz QREBODCFRCPGMU-UHFFFAOYSA-N 1 2 395.536 3.762 20 30 GHEDLO CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC[N@@H+]2C)n1Cc1ccccc1 ZINC001342161812 1061096137 /nfs/dbraw/zinc/09/61/37/1061096137.db2.gz BXQUTGOCKNZTLS-NRFANRHFSA-N 1 2 386.503 3.601 20 30 GHEDLO CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC[N@H+]2C)n1Cc1ccccc1 ZINC001342161812 1061096152 /nfs/dbraw/zinc/09/61/52/1061096152.db2.gz BXQUTGOCKNZTLS-NRFANRHFSA-N 1 2 386.503 3.601 20 30 GHEDLO COC(=O)[C@H](c1cccc(Br)c1)[N@H+](C)CCc1ccc(C#N)cc1 ZINC001459780148 1064214199 /nfs/dbraw/zinc/21/41/99/1064214199.db2.gz NDIWDJTUPKAZEJ-SFHVURJKSA-N 1 2 387.277 3.709 20 30 GHEDLO COC(=O)[C@H](c1cccc(Br)c1)[N@@H+](C)CCc1ccc(C#N)cc1 ZINC001459780148 1064214204 /nfs/dbraw/zinc/21/42/04/1064214204.db2.gz NDIWDJTUPKAZEJ-SFHVURJKSA-N 1 2 387.277 3.709 20 30 GHEDLO CN(C)c1cc(C#N)cc(C(=O)N2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)c1 ZINC001350904910 1064215518 /nfs/dbraw/zinc/21/55/18/1064215518.db2.gz QQLHCOZPNQFKNV-KRWDZBQOSA-N 1 2 379.508 3.596 20 30 GHEDLO N#CC1CCN(c2nnc([C@@H]3CCC[N@@H+]3Cc3ccccc3)n2CC2CC2)CC1 ZINC001351269190 1064339287 /nfs/dbraw/zinc/33/92/87/1064339287.db2.gz YJDFBCUHMJYLGF-NRFANRHFSA-N 1 2 390.535 3.765 20 30 GHEDLO N#CC1CCN(c2nnc([C@@H]3CCC[N@H+]3Cc3ccccc3)n2CC2CC2)CC1 ZINC001351269190 1064339307 /nfs/dbraw/zinc/33/93/07/1064339307.db2.gz YJDFBCUHMJYLGF-NRFANRHFSA-N 1 2 390.535 3.765 20 30 GHEDLO C[C@@H]1CN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CC2CC2)[C@@H]2CCCC[C@@H]21 ZINC001351500107 1064484591 /nfs/dbraw/zinc/48/45/91/1064484591.db2.gz FEJFDZIQEHIABH-DUXKGJEZSA-N 1 2 396.583 3.796 20 30 GHEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001465437481 1065611702 /nfs/dbraw/zinc/61/17/02/1065611702.db2.gz FFHKWUQICUNRPT-KRWDZBQOSA-N 1 2 394.475 3.535 20 30 GHEDLO N#CC[C@@H]1CCCN(c2nnc(C[NH+]3CCCCC3)n2CCc2ccccc2)C1 ZINC001358059327 1067382548 /nfs/dbraw/zinc/38/25/48/1067382548.db2.gz AEBVYQMSZABGGB-NRFANRHFSA-N 1 2 392.551 3.637 20 30 GHEDLO CC#CCNC(=O)NC[C@H](c1ccc(SC)cc1)[N@@H+]1CCc2sccc2C1 ZINC001467780787 1067465444 /nfs/dbraw/zinc/46/54/44/1067465444.db2.gz GEVTZBAHEPQPDG-LJQANCHMSA-N 1 2 399.585 3.892 20 30 GHEDLO CC#CCNC(=O)NC[C@H](c1ccc(SC)cc1)[N@H+]1CCc2sccc2C1 ZINC001467780787 1067465448 /nfs/dbraw/zinc/46/54/48/1067465448.db2.gz GEVTZBAHEPQPDG-LJQANCHMSA-N 1 2 399.585 3.892 20 30 GHEDLO C=CC[C@H]1[N@H+](CC(=O)N=c2cc[nH]n2Cc2cccc(C)c2)CCCC1(C)C ZINC001473431433 1067559158 /nfs/dbraw/zinc/55/91/58/1067559158.db2.gz DQFWCBLXENGBQN-HXUWFJFHSA-N 1 2 380.536 3.667 20 30 GHEDLO C=CC[C@H]1[N@@H+](CC(=O)N=c2cc[nH]n2Cc2cccc(C)c2)CCCC1(C)C ZINC001473431433 1067559163 /nfs/dbraw/zinc/55/91/63/1067559163.db2.gz DQFWCBLXENGBQN-HXUWFJFHSA-N 1 2 380.536 3.667 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCCC)CC1 ZINC001359030464 1067659306 /nfs/dbraw/zinc/65/93/06/1067659306.db2.gz WMZFJVUJSVWUSE-HXUWFJFHSA-N 1 2 395.551 3.590 20 30 GHEDLO N#CCCC[C@@H]([NH2+]Cc1nc(N)nc(Nc2ccc(F)cc2)n1)c1ccccc1 ZINC001460171567 1068831281 /nfs/dbraw/zinc/83/12/81/1068831281.db2.gz OJNUCBJGTUTSKJ-GOSISDBHSA-N 1 2 391.454 3.861 20 30 GHEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001460197056 1068854501 /nfs/dbraw/zinc/85/45/01/1068854501.db2.gz NTOBINCOCPFZKH-NHCUHLMSSA-N 1 2 398.528 3.510 20 30 GHEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001460197056 1068854522 /nfs/dbraw/zinc/85/45/22/1068854522.db2.gz NTOBINCOCPFZKH-NHCUHLMSSA-N 1 2 398.528 3.510 20 30 GHEDLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)[C@@H]2CCCC[C@H]12 ZINC001460358093 1068940066 /nfs/dbraw/zinc/94/00/66/1068940066.db2.gz BTZGVUQSFQKJEZ-KZNAEPCWSA-N 1 2 391.309 3.874 20 30 GHEDLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)[C@@H]2CCCC[C@H]12 ZINC001460358093 1068940070 /nfs/dbraw/zinc/94/00/70/1068940070.db2.gz BTZGVUQSFQKJEZ-KZNAEPCWSA-N 1 2 391.309 3.874 20 30 GHEDLO C=CC[N@H+](CC(=O)N1CCc2cc(-c3csc(C)n3)ccc21)[C@H](C)COC ZINC001460403881 1068954224 /nfs/dbraw/zinc/95/42/24/1068954224.db2.gz ACBSAVHYTAQISR-OAHLLOKOSA-N 1 2 385.533 3.531 20 30 GHEDLO C=CC[N@@H+](CC(=O)N1CCc2cc(-c3csc(C)n3)ccc21)[C@H](C)COC ZINC001460403881 1068954227 /nfs/dbraw/zinc/95/42/27/1068954227.db2.gz ACBSAVHYTAQISR-OAHLLOKOSA-N 1 2 385.533 3.531 20 30 GHEDLO C#CC[N@@H+](Cc1ccc(S(=O)(=O)N2CCCC2)o1)[C@@H]1CCCc2ccccc21 ZINC001460825739 1069204056 /nfs/dbraw/zinc/20/40/56/1069204056.db2.gz LCTYYLIQZGWPIP-OAQYLSRUSA-N 1 2 398.528 3.577 20 30 GHEDLO C#CC[N@H+](Cc1ccc(S(=O)(=O)N2CCCC2)o1)[C@@H]1CCCc2ccccc21 ZINC001460825739 1069204068 /nfs/dbraw/zinc/20/40/68/1069204068.db2.gz LCTYYLIQZGWPIP-OAQYLSRUSA-N 1 2 398.528 3.577 20 30 GHEDLO CN(Cc1cc(C#N)cs1)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001478714765 1078964759 /nfs/dbraw/zinc/96/47/59/1078964759.db2.gz BNUVTOZNXDJFOE-UHFFFAOYSA-N 1 2 385.880 3.800 20 30 GHEDLO CN(C)c1nc(Cl)c(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)s1 ZINC001474378548 1074374787 /nfs/dbraw/zinc/37/47/87/1074374787.db2.gz ZSQNDQAAVMPFJR-UHFFFAOYSA-N 1 2 376.913 3.778 20 30 GHEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc(Oc2ccccc2)nn1 ZINC000823914462 608253073 /nfs/dbraw/zinc/25/30/73/608253073.db2.gz JGQJKBJJZCGVNG-UHFFFAOYSA-N 1 2 399.458 3.637 20 30 GHEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc(Oc2ccccc2)nn1 ZINC000823914462 608253074 /nfs/dbraw/zinc/25/30/74/608253074.db2.gz JGQJKBJJZCGVNG-UHFFFAOYSA-N 1 2 399.458 3.637 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+](C)[C@H]2CCc3ccccc32)c1=S ZINC000177916090 837388870 /nfs/dbraw/zinc/38/88/70/837388870.db2.gz RSFOUOHWMFHCCK-SFHVURJKSA-N 1 2 378.505 3.634 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+](C)[C@H]2CCc3ccccc32)c1=S ZINC000177916090 837388883 /nfs/dbraw/zinc/38/88/83/837388883.db2.gz RSFOUOHWMFHCCK-SFHVURJKSA-N 1 2 378.505 3.634 20 30 GHEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(NCC2(c3ccccc3)COC2)[nH+]1 ZINC001167292075 837664310 /nfs/dbraw/zinc/66/43/10/837664310.db2.gz LGRKUUSXLIFWAW-PXTQSWQZSA-N 1 2 385.533 3.651 20 30 GHEDLO Cc1oc(NC(=O)C[N@@H+](C)Cc2cccc(OC(F)(F)F)c2)c(C#N)c1C ZINC000128142380 834787258 /nfs/dbraw/zinc/78/72/58/834787258.db2.gz JTBBPYVIUKOLCE-UHFFFAOYSA-N 1 2 381.354 3.737 20 30 GHEDLO Cc1oc(NC(=O)C[N@H+](C)Cc2cccc(OC(F)(F)F)c2)c(C#N)c1C ZINC000128142380 834787263 /nfs/dbraw/zinc/78/72/63/834787263.db2.gz JTBBPYVIUKOLCE-UHFFFAOYSA-N 1 2 381.354 3.737 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cccc(SC(=O)N(C)C)c2)c1 ZINC000176879209 834904329 /nfs/dbraw/zinc/90/43/29/834904329.db2.gz CZXBUSHDCYPJEE-UHFFFAOYSA-N 1 2 381.501 3.512 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cccc(SC(=O)N(C)C)c2)c1 ZINC000176879209 834904333 /nfs/dbraw/zinc/90/43/33/834904333.db2.gz CZXBUSHDCYPJEE-UHFFFAOYSA-N 1 2 381.501 3.512 20 30 GHEDLO N#CCc1ccc(C[NH+]2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000544070006 835044588 /nfs/dbraw/zinc/04/45/88/835044588.db2.gz CAYKUMPYRMAJML-UHFFFAOYSA-N 1 2 387.405 3.729 20 30 GHEDLO N#Cc1ccc(SCC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000278598829 835514838 /nfs/dbraw/zinc/51/48/38/835514838.db2.gz AEUIXXOTYJMOCK-UHFFFAOYSA-N 1 2 380.517 3.589 20 30 GHEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c1 ZINC000134447111 835724467 /nfs/dbraw/zinc/72/44/67/835724467.db2.gz NHGXBYYSGBXECU-CYBMUJFWSA-N 1 2 394.422 3.852 20 30 GHEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c1 ZINC000134447111 835724472 /nfs/dbraw/zinc/72/44/72/835724472.db2.gz NHGXBYYSGBXECU-CYBMUJFWSA-N 1 2 394.422 3.852 20 30 GHEDLO C[N@H+](CCC#N)C[C@H](O)CNc1ccc(Oc2cccc(F)c2)c2ccncc12 ZINC000584346311 835899405 /nfs/dbraw/zinc/89/94/05/835899405.db2.gz BUYXZKOCRYRCDC-QGZVFWFLSA-N 1 2 394.450 3.784 20 30 GHEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1ccc(Oc2cccc(F)c2)c2ccncc12 ZINC000584346311 835899414 /nfs/dbraw/zinc/89/94/14/835899414.db2.gz BUYXZKOCRYRCDC-QGZVFWFLSA-N 1 2 394.450 3.784 20 30 GHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000512542332 844110711 /nfs/dbraw/zinc/11/07/11/844110711.db2.gz NSHBRKKBQQEADT-GOSISDBHSA-N 1 2 386.515 3.729 20 30 GHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000512542332 844110723 /nfs/dbraw/zinc/11/07/23/844110723.db2.gz NSHBRKKBQQEADT-GOSISDBHSA-N 1 2 386.515 3.729 20 30 GHEDLO Cc1c(C#N)cccc1NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000179881846 836227599 /nfs/dbraw/zinc/22/75/99/836227599.db2.gz SSMDPAKTTZGUTK-WOJBJXKFSA-N 1 2 398.894 3.714 20 30 GHEDLO Cc1c(C#N)cccc1NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000179881846 836227607 /nfs/dbraw/zinc/22/76/07/836227607.db2.gz SSMDPAKTTZGUTK-WOJBJXKFSA-N 1 2 398.894 3.714 20 30 GHEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC001167116910 836337250 /nfs/dbraw/zinc/33/72/50/836337250.db2.gz YIHCFIGSLIZNDG-GOSISDBHSA-N 1 2 389.293 3.672 20 30 GHEDLO C=CC[N@H+](Cc1ccc(OC)cc1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC001167116910 836337263 /nfs/dbraw/zinc/33/72/63/836337263.db2.gz YIHCFIGSLIZNDG-GOSISDBHSA-N 1 2 389.293 3.672 20 30 GHEDLO COc1cc(C[NH+]2CCN(c3nc(C(C)(C)C)ccc3C#N)CC2)cc(OC)c1 ZINC000613426123 836354465 /nfs/dbraw/zinc/35/44/65/836354465.db2.gz MWSPGTWRIIYICZ-UHFFFAOYSA-N 1 2 394.519 3.590 20 30 GHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000247059763 836691935 /nfs/dbraw/zinc/69/19/35/836691935.db2.gz LVLVRARMFBGWTM-MAUKXSAKSA-N 1 2 379.435 3.619 20 30 GHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000247059763 836691937 /nfs/dbraw/zinc/69/19/37/836691937.db2.gz LVLVRARMFBGWTM-MAUKXSAKSA-N 1 2 379.435 3.619 20 30 GHEDLO Cc1oc(NC(=O)C[NH2+][C@@H](C)c2nc3ccccc3n2C(F)F)c(C#N)c1C ZINC000275504569 837144270 /nfs/dbraw/zinc/14/42/70/837144270.db2.gz VTNBJTPTQKNXMG-NSHDSACASA-N 1 2 387.390 3.802 20 30 GHEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2nc3c(cc2C#N)COCC3)CC1 ZINC000584510478 837148097 /nfs/dbraw/zinc/14/80/97/837148097.db2.gz FAGQZTDXSVGXKZ-HNNXBMFYSA-N 1 2 382.895 3.563 20 30 GHEDLO Cc1ccc(C(=O)C2CC[NH+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)cc1 ZINC000122770754 838350645 /nfs/dbraw/zinc/35/06/45/838350645.db2.gz NAZAOZCURUBHQN-JOCHJYFZSA-N 1 2 387.483 3.567 20 30 GHEDLO CCOCc1cc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)ccc1OC ZINC000178868179 838483433 /nfs/dbraw/zinc/48/34/33/838483433.db2.gz JFLRMKXQJPVUKZ-JOCHJYFZSA-N 1 2 379.504 3.614 20 30 GHEDLO C=CCc1cc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc(OC)c1OC ZINC000119293876 838559547 /nfs/dbraw/zinc/55/95/47/838559547.db2.gz ZTYRAPJDKPJULC-UHFFFAOYSA-N 1 2 396.487 3.517 20 30 GHEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000053281547 838637870 /nfs/dbraw/zinc/63/78/70/838637870.db2.gz BJDJDIQCKGALFB-RHSMWYFYSA-N 1 2 378.314 3.594 20 30 GHEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000053281547 838637881 /nfs/dbraw/zinc/63/78/81/838637881.db2.gz BJDJDIQCKGALFB-RHSMWYFYSA-N 1 2 378.314 3.594 20 30 GHEDLO N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)cc2F)c1 ZINC001143482646 838660756 /nfs/dbraw/zinc/66/07/56/838660756.db2.gz GOSOZJGRDVHTCL-IAGOWNOFSA-N 1 2 376.391 3.742 20 30 GHEDLO N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)cc2F)c1 ZINC001143482646 838660764 /nfs/dbraw/zinc/66/07/64/838660764.db2.gz GOSOZJGRDVHTCL-IAGOWNOFSA-N 1 2 376.391 3.742 20 30 GHEDLO Cc1cc(C#N)cnc1C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000549425613 839013932 /nfs/dbraw/zinc/01/39/32/839013932.db2.gz HHMZBKSLPYYDHO-UHFFFAOYSA-N 1 2 389.484 3.529 20 30 GHEDLO Cc1cc(C#N)cnc1C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000549425613 839013937 /nfs/dbraw/zinc/01/39/37/839013937.db2.gz HHMZBKSLPYYDHO-UHFFFAOYSA-N 1 2 389.484 3.529 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H](CC3CC3)c3ccccc3)CC2)cc1 ZINC000610405035 839092302 /nfs/dbraw/zinc/09/23/02/839092302.db2.gz JODGODUXOYKRQD-HSZRJFAPSA-N 1 2 388.515 3.927 20 30 GHEDLO CCCCc1noc([C@@H](C)O[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)n1 ZINC000174131389 839464229 /nfs/dbraw/zinc/46/42/29/839464229.db2.gz AHDIFBVNOMYFKS-OAHLLOKOSA-N 1 2 395.463 3.784 20 30 GHEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000416703059 839539596 /nfs/dbraw/zinc/53/95/96/839539596.db2.gz YROIJNNFAORQIP-JOCHJYFZSA-N 1 2 385.471 3.680 20 30 GHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)Cc2c(F)cccc2C#N)c(C)c1 ZINC000580789325 840188356 /nfs/dbraw/zinc/18/83/56/840188356.db2.gz MKHCIAZINAMVQY-NRFANRHFSA-N 1 2 376.435 3.611 20 30 GHEDLO C[C@H](c1nnc(SCc2nc(C#N)cs2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000416892746 840255823 /nfs/dbraw/zinc/25/58/23/840255823.db2.gz LDKQROWRHCHIHG-LLVKDONJSA-N 1 2 388.497 3.649 20 30 GHEDLO C[C@H](CNC(=O)c1ccc(Sc2ccccc2C#N)cc1)Cn1cc[nH+]c1 ZINC000177879281 840539412 /nfs/dbraw/zinc/53/94/12/840539412.db2.gz LOSAVNJFLWYMSS-MRXNPFEDSA-N 1 2 376.485 3.972 20 30 GHEDLO CCN(CC)C(=O)COc1ccc(C(=O)/C=C\c2c[nH+]c3c(C)cccn23)cc1 ZINC000255311236 841512853 /nfs/dbraw/zinc/51/28/53/841512853.db2.gz QIXWCTCHCCIFHZ-RAXLEYEMSA-N 1 2 391.471 3.786 20 30 GHEDLO C=CC[N@H+](CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)[C@H](C)COC ZINC000661246643 841569865 /nfs/dbraw/zinc/56/98/65/841569865.db2.gz JMAYQLOCEMDVDR-NVXWUHKLSA-N 1 2 387.505 3.542 20 30 GHEDLO C=CC[N@@H+](CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)[C@H](C)COC ZINC000661246643 841569870 /nfs/dbraw/zinc/56/98/70/841569870.db2.gz JMAYQLOCEMDVDR-NVXWUHKLSA-N 1 2 387.505 3.542 20 30 GHEDLO C=CCOc1ccccc1C[NH2+]Cc1ncc(I)s1 ZINC000511995809 842036004 /nfs/dbraw/zinc/03/60/04/842036004.db2.gz CJNKOPQJHQJKAR-UHFFFAOYSA-N 1 2 386.258 3.602 20 30 GHEDLO C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000558991055 842074121 /nfs/dbraw/zinc/07/41/21/842074121.db2.gz DBORDMZYNHENGF-UHFFFAOYSA-N 1 2 392.482 3.690 20 30 GHEDLO N#CC1(c2ccc(C[NH+]3CCN(C(=O)c4ccc(Cl)cc4)CC3)cc2)CC1 ZINC000596982839 842197100 /nfs/dbraw/zinc/19/71/00/842197100.db2.gz KYGOUYUCKXTKLP-UHFFFAOYSA-N 1 2 379.891 3.853 20 30 GHEDLO N#CCCn1cc(C[N@@H+]2CCOc3cc(F)ccc3C2)c(-c2ccccc2)n1 ZINC000600214466 861293616 /nfs/dbraw/zinc/29/36/16/861293616.db2.gz YHWPQNNDMMKTBD-UHFFFAOYSA-N 1 2 376.435 3.997 20 30 GHEDLO N#CCCn1cc(C[N@H+]2CCOc3cc(F)ccc3C2)c(-c2ccccc2)n1 ZINC000600214466 861293623 /nfs/dbraw/zinc/29/36/23/861293623.db2.gz YHWPQNNDMMKTBD-UHFFFAOYSA-N 1 2 376.435 3.997 20 30 GHEDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000328827545 842331437 /nfs/dbraw/zinc/33/14/37/842331437.db2.gz JNHXLWOMKNIYQB-BBWFWOEESA-N 1 2 390.553 3.803 20 30 GHEDLO Cc1cc(NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)cnc1N1CCCC[C@@H]1C ZINC000329364637 861330357 /nfs/dbraw/zinc/33/03/57/861330357.db2.gz GBXJBNWZVQSSME-HKUYNNGSSA-N 1 2 382.512 3.675 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000603903108 861360338 /nfs/dbraw/zinc/36/03/38/861360338.db2.gz PGNNNKVDXJPBGY-LSDHHAIUSA-N 1 2 397.548 3.818 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000603903108 861360357 /nfs/dbraw/zinc/36/03/57/861360357.db2.gz PGNNNKVDXJPBGY-LSDHHAIUSA-N 1 2 397.548 3.818 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[C@H](C(C)(C)C)[C@@H](O)C3)n2)C1 ZINC000329404338 861377394 /nfs/dbraw/zinc/37/73/94/861377394.db2.gz CHWBDUCQRAIZJM-PVAVHDDUSA-N 1 2 394.585 3.649 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[C@H](C(C)(C)C)[C@@H](O)C3)n2)C1 ZINC000329404338 861377404 /nfs/dbraw/zinc/37/74/04/861377404.db2.gz CHWBDUCQRAIZJM-PVAVHDDUSA-N 1 2 394.585 3.649 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NCc1ccccc1Cl ZINC000512218467 843122765 /nfs/dbraw/zinc/12/27/65/843122765.db2.gz JYHXBMFQIVUTDV-OAHLLOKOSA-N 1 2 376.884 3.508 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NCc1ccccc1Cl ZINC000512218467 843122768 /nfs/dbraw/zinc/12/27/68/843122768.db2.gz JYHXBMFQIVUTDV-OAHLLOKOSA-N 1 2 376.884 3.508 20 30 GHEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1Br ZINC000126054829 843132790 /nfs/dbraw/zinc/13/27/90/843132790.db2.gz FSZTVQITYJBZNY-WMLDXEAASA-N 1 2 378.314 3.594 20 30 GHEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1c1ccccc1Br ZINC000126054829 843132793 /nfs/dbraw/zinc/13/27/93/843132793.db2.gz FSZTVQITYJBZNY-WMLDXEAASA-N 1 2 378.314 3.594 20 30 GHEDLO C=CCOc1ccccc1CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000159259717 843394872 /nfs/dbraw/zinc/39/48/72/843394872.db2.gz SEJUXWJLUPMPCW-UHFFFAOYSA-N 1 2 392.459 3.849 20 30 GHEDLO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1nc(C(F)(F)F)cs1 ZINC000278883679 843510507 /nfs/dbraw/zinc/51/05/07/843510507.db2.gz IEXFRQRYNUQIHG-MRVPVSSYSA-N 1 2 388.802 3.976 20 30 GHEDLO Cc1cc(-c2nnc(C[NH+]3CCC(Oc4cccc(C#N)c4)CC3)o2)c(C)o1 ZINC000162942465 843525969 /nfs/dbraw/zinc/52/59/69/843525969.db2.gz VKMAFHAVFZPMRM-UHFFFAOYSA-N 1 2 378.432 3.862 20 30 GHEDLO C=C(C)COc1cccc(NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)c1 ZINC000303211047 843715287 /nfs/dbraw/zinc/71/52/87/843715287.db2.gz RKACYYBZYJZFCA-UHFFFAOYSA-N 1 2 395.503 3.870 20 30 GHEDLO C=CC[N@@H+](Cc1ccc2c(c1)c1ccccc1n2CC)[C@H]1CCS(=O)(=O)C1 ZINC000092361659 843790798 /nfs/dbraw/zinc/79/07/98/843790798.db2.gz JKJJLDBDUOPZOJ-SFHVURJKSA-N 1 2 382.529 3.990 20 30 GHEDLO C=CC[N@H+](Cc1ccc2c(c1)c1ccccc1n2CC)[C@H]1CCS(=O)(=O)C1 ZINC000092361659 843790801 /nfs/dbraw/zinc/79/08/01/843790801.db2.gz JKJJLDBDUOPZOJ-SFHVURJKSA-N 1 2 382.529 3.990 20 30 GHEDLO CCc1ccccc1NC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512822202 843805221 /nfs/dbraw/zinc/80/52/21/843805221.db2.gz FPRKFTQKHZMFNR-UHFFFAOYSA-N 1 2 381.451 3.742 20 30 GHEDLO COC(=O)c1cc(F)ccc1C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512823704 843807478 /nfs/dbraw/zinc/80/74/78/843807478.db2.gz MEYXHTHKYLAEMU-UHFFFAOYSA-N 1 2 386.398 3.666 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000432967456 844766814 /nfs/dbraw/zinc/76/68/14/844766814.db2.gz YOVVAZLAKPQPGE-GOSISDBHSA-N 1 2 394.544 3.969 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000432967456 844766816 /nfs/dbraw/zinc/76/68/16/844766816.db2.gz YOVVAZLAKPQPGE-GOSISDBHSA-N 1 2 394.544 3.969 20 30 GHEDLO N#CCOc1ccc(C[NH+]2CCN(C(=O)c3cccc4ccccc43)CC2)cc1 ZINC000731210239 861505746 /nfs/dbraw/zinc/50/57/46/861505746.db2.gz GOZRTPUZHBKNAB-UHFFFAOYSA-N 1 2 385.467 3.700 20 30 GHEDLO N#CCOc1ccc(C[NH+]2CCN(c3ncc(Cl)cc3Cl)CC2)cc1 ZINC000731211321 861505958 /nfs/dbraw/zinc/50/59/58/861505958.db2.gz GGVFZHXIJRQBGA-UHFFFAOYSA-N 1 2 377.275 3.613 20 30 GHEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679089 861515910 /nfs/dbraw/zinc/51/59/10/861515910.db2.gz PAXIJJBQXMHSEE-QGZVFWFLSA-N 1 2 390.462 3.585 20 30 GHEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679089 861515914 /nfs/dbraw/zinc/51/59/14/861515914.db2.gz PAXIJJBQXMHSEE-QGZVFWFLSA-N 1 2 390.462 3.585 20 30 GHEDLO COc1ccc([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)cc1F ZINC000599679685 861520229 /nfs/dbraw/zinc/52/02/29/861520229.db2.gz NQGJMANRAOKNAV-BBRMVZONSA-N 1 2 385.439 3.732 20 30 GHEDLO COc1ccc([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)cc1F ZINC000599679685 861520238 /nfs/dbraw/zinc/52/02/38/861520238.db2.gz NQGJMANRAOKNAV-BBRMVZONSA-N 1 2 385.439 3.732 20 30 GHEDLO CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(Cc2ccnc(C#N)c2)CC1 ZINC000610992495 845077996 /nfs/dbraw/zinc/07/79/96/845077996.db2.gz KGBOOBDNGXTSSD-HXUWFJFHSA-N 1 2 399.336 3.985 20 30 GHEDLO Cc1sc2ncnc(N3CC[NH+]([C@@H](C)C(=O)NC4CCCC4)CC3)c2c1C ZINC000329022837 845535912 /nfs/dbraw/zinc/53/59/12/845535912.db2.gz UFJMSFBWTBKSJC-AWEZNQCLSA-N 1 2 387.553 3.718 20 30 GHEDLO CC(C)(C#N)CNC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000512798025 845555887 /nfs/dbraw/zinc/55/58/87/845555887.db2.gz QBCZXUAJMHRBGX-UHFFFAOYSA-N 1 2 391.878 3.827 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](CC(=O)Nc3cccc(Cl)c3)CC2)c(F)c1 ZINC000512805908 845587522 /nfs/dbraw/zinc/58/75/22/845587522.db2.gz NTWSVYBMHHSCDY-UHFFFAOYSA-N 1 2 387.842 3.833 20 30 GHEDLO C[C@@H](C(=O)Nc1cccc(F)c1)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512805482 845597997 /nfs/dbraw/zinc/59/79/97/845597997.db2.gz HLPAGTWKPZLKME-AWEZNQCLSA-N 1 2 385.414 3.707 20 30 GHEDLO N#Cc1c(Cl)cccc1SCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000538948669 845750409 /nfs/dbraw/zinc/75/04/09/845750409.db2.gz DGYOALDRTXQJQY-UHFFFAOYSA-N 1 2 385.920 3.648 20 30 GHEDLO CC(C)(C(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1)c1cc(F)cc(C#N)c1 ZINC001168741907 861664496 /nfs/dbraw/zinc/66/44/96/861664496.db2.gz GWHLGGZGLFTURH-IBGZPJMESA-N 1 2 385.870 3.801 20 30 GHEDLO NC(=[NH+]OCCCOc1ccccc1)c1ccc(OCc2cccnc2)cc1 ZINC000072078546 846374736 /nfs/dbraw/zinc/37/47/36/846374736.db2.gz QZOILYZGJBPXFR-UHFFFAOYSA-N 1 2 377.444 3.767 20 30 GHEDLO C=CCn1c(=S)n(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)nc1-c1cnccn1 ZINC000161183190 846645610 /nfs/dbraw/zinc/64/56/10/846645610.db2.gz XEMSVDXUDQJSFH-GOSISDBHSA-N 1 2 392.532 3.579 20 30 GHEDLO C=CCn1c(=S)n(C[N@H+]2CC[C@H](Cc3ccccc3)C2)nc1-c1cnccn1 ZINC000161183190 846645618 /nfs/dbraw/zinc/64/56/18/846645618.db2.gz XEMSVDXUDQJSFH-GOSISDBHSA-N 1 2 392.532 3.579 20 30 GHEDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CC[C@H]([C@H]2CCOC2)C1 ZINC000329600147 861745288 /nfs/dbraw/zinc/74/52/88/861745288.db2.gz DWPWWHINKNSYES-ROUUACIJSA-N 1 2 380.492 3.790 20 30 GHEDLO N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000151180079 847108420 /nfs/dbraw/zinc/10/84/20/847108420.db2.gz GQHTYGVYBICGAX-UHFFFAOYSA-N 1 2 391.406 3.631 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CCCc4ccc(F)cc43)CC2)cc1 ZINC000475003489 861757952 /nfs/dbraw/zinc/75/79/52/861757952.db2.gz OIWNLQCMPSGXOG-QFIPXVFZSA-N 1 2 392.478 3.602 20 30 GHEDLO C=CC[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1cccs1 ZINC000097059085 847453534 /nfs/dbraw/zinc/45/35/34/847453534.db2.gz IWCSRNFDQCQEFY-UHFFFAOYSA-N 1 2 392.446 3.923 20 30 GHEDLO C=CC[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1cccs1 ZINC000097059085 847453542 /nfs/dbraw/zinc/45/35/42/847453542.db2.gz IWCSRNFDQCQEFY-UHFFFAOYSA-N 1 2 392.446 3.923 20 30 GHEDLO N#Cc1ccc(C2=CCN(C(=O)NCc3cccc(Cn4cc[nH+]c4)c3)CC2)cc1 ZINC000502294454 847704399 /nfs/dbraw/zinc/70/43/99/847704399.db2.gz RCJHZUDAQVPLCK-UHFFFAOYSA-N 1 2 397.482 3.802 20 30 GHEDLO N#CCCn1cc(C[NH2+]Cc2nccc(C(F)(F)F)n2)c(-c2ccccc2)n1 ZINC000414501188 847760395 /nfs/dbraw/zinc/76/03/95/847760395.db2.gz DTRORDQPIKYZLG-UHFFFAOYSA-N 1 2 386.381 3.562 20 30 GHEDLO COc1ccc(Cl)cc1NC(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502524862 847966138 /nfs/dbraw/zinc/96/61/38/847966138.db2.gz VUZJIMVMUUYOQB-UHFFFAOYSA-N 1 2 381.863 3.948 20 30 GHEDLO COc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502524862 847966142 /nfs/dbraw/zinc/96/61/42/847966142.db2.gz VUZJIMVMUUYOQB-UHFFFAOYSA-N 1 2 381.863 3.948 20 30 GHEDLO N#Cc1ccccc1OCC[NH+]1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000604271939 862053666 /nfs/dbraw/zinc/05/36/66/862053666.db2.gz KQJDCCDJUOVATJ-UHFFFAOYSA-N 1 2 385.467 3.548 20 30 GHEDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000329686833 862057144 /nfs/dbraw/zinc/05/71/44/862057144.db2.gz BGDFZIXMAGDDJK-JOCHJYFZSA-N 1 2 393.491 3.874 20 30 GHEDLO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000583398281 849800128 /nfs/dbraw/zinc/80/01/28/849800128.db2.gz KARDIBKCSNEYMZ-ZDUSSCGKSA-N 1 2 392.272 3.562 20 30 GHEDLO C=CCOc1ccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)cc1OC ZINC000434990951 849977984 /nfs/dbraw/zinc/97/79/84/849977984.db2.gz LRKVPJGCJWDXTH-NRFANRHFSA-N 1 2 377.488 3.642 20 30 GHEDLO C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1c[nH+]cn1C ZINC000439552238 850086832 /nfs/dbraw/zinc/08/68/32/850086832.db2.gz UVDVEKGNHIQYFB-UHFFFAOYSA-N 1 2 375.885 3.722 20 30 GHEDLO C=CCn1cc(C[NH2+]Cc2cn(-c3ccccc3Cl)nc2C(C)(C)C)nn1 ZINC000424169601 850274874 /nfs/dbraw/zinc/27/48/74/850274874.db2.gz IMWKCXUKLFXBPL-UHFFFAOYSA-N 1 2 384.915 3.891 20 30 GHEDLO Cc1ccc([C@H]([NH2+]CC#Cc2ccc(Cl)cc2)[C@H](C)S(C)(=O)=O)cc1 ZINC000435906233 850963709 /nfs/dbraw/zinc/96/37/09/850963709.db2.gz JRSFLGRTMSKNEI-OXJNMPFZSA-N 1 2 375.921 3.764 20 30 GHEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000425420762 851003999 /nfs/dbraw/zinc/00/39/99/851003999.db2.gz LLJNCVKTKLQXMI-SFHVURJKSA-N 1 2 387.487 3.748 20 30 GHEDLO Cc1cc(OCC[N@@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)ccc1C(C)C ZINC000513974584 851065525 /nfs/dbraw/zinc/06/55/25/851065525.db2.gz PVWPFDQYJFVDJW-HOYKHHGWSA-N 1 2 389.499 3.843 20 30 GHEDLO Cc1cc(OCC[N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)ccc1C(C)C ZINC000513974584 851065536 /nfs/dbraw/zinc/06/55/36/851065536.db2.gz PVWPFDQYJFVDJW-HOYKHHGWSA-N 1 2 389.499 3.843 20 30 GHEDLO C=CCn1c(SCc2c[nH+]cn2C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000481763391 862204527 /nfs/dbraw/zinc/20/45/27/862204527.db2.gz VIYNFZVPWHHKKP-GFCCVEGCSA-N 1 2 386.546 3.795 20 30 GHEDLO C=CCn1c(SCc2cc[nH+]c(N)c2)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000430097767 851571360 /nfs/dbraw/zinc/57/13/60/851571360.db2.gz HUASAGYKKPRMOQ-LBPRGKRZSA-N 1 2 398.557 3.869 20 30 GHEDLO C=CCN(Cc1ccccc1F)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000515876742 851593208 /nfs/dbraw/zinc/59/32/08/851593208.db2.gz KGPOQWSPRRVWAT-UHFFFAOYSA-N 1 2 378.451 3.968 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH+]2CCC(c3cc[nH]n3)CC2)c1C#N ZINC000604557841 862275957 /nfs/dbraw/zinc/27/59/57/862275957.db2.gz LWZKNDGOLBOJCB-UHFFFAOYSA-N 1 2 394.523 3.633 20 30 GHEDLO COCc1ccccc1/C=C(\C)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000506994997 852436012 /nfs/dbraw/zinc/43/60/12/852436012.db2.gz NDNCCYMFKNNWQJ-HMMYKYKNSA-N 1 2 375.516 3.926 20 30 GHEDLO COCC1(C#N)CCN(C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)CC1 ZINC000425675861 852614761 /nfs/dbraw/zinc/61/47/61/852614761.db2.gz RMUGHPTWOYOOPK-UHFFFAOYSA-N 1 2 393.491 3.670 20 30 GHEDLO C#CCOc1ccc(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000151406892 853393834 /nfs/dbraw/zinc/39/38/34/853393834.db2.gz BKOHJVQNNSLZTC-QZTJIDSGSA-N 1 2 378.472 3.560 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)c(Cl)c1 ZINC000439451514 853669660 /nfs/dbraw/zinc/66/96/60/853669660.db2.gz MICMVRQCQUWYEC-UHFFFAOYSA-N 1 2 387.874 3.954 20 30 GHEDLO C[C@H](C1CC1)n1cc(NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000328659680 854493370 /nfs/dbraw/zinc/49/33/70/854493370.db2.gz TZRFCIODSHRDEL-WBVHZDCISA-N 1 2 382.512 3.812 20 30 GHEDLO O=C(N[C@@H]1CCCC12CCOCC2)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000328837560 854569716 /nfs/dbraw/zinc/56/97/16/854569716.db2.gz TUGGWLFEPCOLCT-LJQANCHMSA-N 1 2 386.540 3.662 20 30 GHEDLO COc1ccc([C@H](NC(=O)C[N@@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)C(C)C)cc1 ZINC000330139789 862607798 /nfs/dbraw/zinc/60/77/98/862607798.db2.gz WMAGAHRIMCHPHM-WTOYTKOKSA-N 1 2 390.524 3.619 20 30 GHEDLO COc1ccc([C@H](NC(=O)C[N@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)C(C)C)cc1 ZINC000330139789 862607801 /nfs/dbraw/zinc/60/78/01/862607801.db2.gz WMAGAHRIMCHPHM-WTOYTKOKSA-N 1 2 390.524 3.619 20 30 GHEDLO CC(C)COC1CC[NH+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000054327161 855142633 /nfs/dbraw/zinc/14/26/33/855142633.db2.gz LHDFJFWZQUAFNG-CQSZACIVSA-N 1 2 375.538 3.572 20 30 GHEDLO N#Cc1cscc1C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000590089734 855263872 /nfs/dbraw/zinc/26/38/72/855263872.db2.gz NRLVJTZVXCLTRN-UHFFFAOYSA-N 1 2 379.407 3.597 20 30 GHEDLO COCc1ccccc1/C=C(\C)C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000590347858 855376197 /nfs/dbraw/zinc/37/61/97/855376197.db2.gz YOKOWSXGSAIIRN-GHRIWEEISA-N 1 2 392.503 3.796 20 30 GHEDLO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000465631056 855433441 /nfs/dbraw/zinc/43/34/41/855433441.db2.gz RLKXJEXCKADYFV-DHIUTWEWSA-N 1 2 399.498 3.913 20 30 GHEDLO COc1ccc([C@@H](CNc2cc(C#N)nc3ccccc32)[NH+]2CCOCC2)cc1 ZINC000301348424 855673333 /nfs/dbraw/zinc/67/33/33/855673333.db2.gz LMARORFXZYWQAX-HSZRJFAPSA-N 1 2 388.471 3.600 20 30 GHEDLO N#Cc1cnc2ccc(OC(F)F)cc2c1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000301649217 855734529 /nfs/dbraw/zinc/73/45/29/855734529.db2.gz RBDUZGMANULUID-MRXNPFEDSA-N 1 2 382.370 3.761 20 30 GHEDLO Cc1ccc(C[NH+]2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)nc1 ZINC000591022254 855743044 /nfs/dbraw/zinc/74/30/44/855743044.db2.gz LWIBQDXWDZDDHL-LJQANCHMSA-N 1 2 385.309 3.535 20 30 GHEDLO C[N@H+](CCOc1ccccc1F)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000057974858 855888024 /nfs/dbraw/zinc/88/80/24/855888024.db2.gz APBRSWLTLKVUEX-UHFFFAOYSA-N 1 2 379.435 3.888 20 30 GHEDLO C[N@@H+](CCOc1ccccc1F)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000057974858 855888028 /nfs/dbraw/zinc/88/80/28/855888028.db2.gz APBRSWLTLKVUEX-UHFFFAOYSA-N 1 2 379.435 3.888 20 30 GHEDLO Cc1cn2cc(NC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)ccc2[nH+]1 ZINC000265727765 855961417 /nfs/dbraw/zinc/96/14/17/855961417.db2.gz RNEPDIBWZUTWFW-UHFFFAOYSA-N 1 2 375.432 3.590 20 30 GHEDLO N#CCCN(C(=O)CCC(=O)Nc1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000171275891 856072642 /nfs/dbraw/zinc/07/26/42/856072642.db2.gz NWHCNMBJDVVIFU-UHFFFAOYSA-N 1 2 387.443 3.538 20 30 GHEDLO CC1(C)COCC[N@@H+]1CCNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000171838217 856280342 /nfs/dbraw/zinc/28/03/42/856280342.db2.gz FQPVQGGMBNZQMD-UHFFFAOYSA-N 1 2 394.475 3.583 20 30 GHEDLO CC1(C)COCC[N@H+]1CCNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000171838217 856280354 /nfs/dbraw/zinc/28/03/54/856280354.db2.gz FQPVQGGMBNZQMD-UHFFFAOYSA-N 1 2 394.475 3.583 20 30 GHEDLO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[NH+]1CCC(CC#N)CC1 ZINC000542882598 856472127 /nfs/dbraw/zinc/47/21/27/856472127.db2.gz AXAHTTPYDXIQQY-CYBMUJFWSA-N 1 2 399.476 3.671 20 30 GHEDLO C=CCOc1ccc(C(=O)N(Cc2ccccc2)[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000110878796 856693984 /nfs/dbraw/zinc/69/39/84/856693984.db2.gz YMLKWNSZDQNPHA-FQEVSTJZSA-N 1 2 394.515 3.615 20 30 GHEDLO COc1cccc(NC2CC[NH+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)CC2)c1 ZINC000111305253 856884461 /nfs/dbraw/zinc/88/44/61/856884461.db2.gz XGCMXCDMIDYVEM-HNNXBMFYSA-N 1 2 396.491 3.680 20 30 GHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCc1cc(C#N)ccc1F ZINC000174027629 857200209 /nfs/dbraw/zinc/20/02/09/857200209.db2.gz DPEJBXCXMZFBFE-UHFFFAOYSA-N 1 2 395.482 3.540 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)CCc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246077819 857225690 /nfs/dbraw/zinc/22/56/90/857225690.db2.gz BWYLROONVYDVAX-PZJWPPBQSA-N 1 2 385.870 3.845 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)CCc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246077819 857225701 /nfs/dbraw/zinc/22/57/01/857225701.db2.gz BWYLROONVYDVAX-PZJWPPBQSA-N 1 2 385.870 3.845 20 30 GHEDLO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000066179561 857992854 /nfs/dbraw/zinc/99/28/54/857992854.db2.gz WDSQMBWAGKXBGJ-UHFFFAOYSA-N 1 2 377.492 3.542 20 30 GHEDLO N#Cc1ccc(OCc2cccc(C(=O)N3CCC(n4cc[nH+]c4)CC3)c2)cc1 ZINC000115352362 858505524 /nfs/dbraw/zinc/50/55/24/858505524.db2.gz GEMVADXMJVIWNK-UHFFFAOYSA-N 1 2 386.455 3.811 20 30 GHEDLO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367056948 858556423 /nfs/dbraw/zinc/55/64/23/858556423.db2.gz DJOFOUKDHFGMOG-MSOLQXFVSA-N 1 2 394.544 3.752 20 30 GHEDLO Cc1oc(NC(=O)C[N@H+](Cc2ccccc2)[C@H]2COC(C)(C)C2)c(C#N)c1C ZINC000595634618 858625367 /nfs/dbraw/zinc/62/53/67/858625367.db2.gz DEASPWNIZLZFLQ-GOSISDBHSA-N 1 2 381.476 3.776 20 30 GHEDLO Cc1oc(NC(=O)C[N@@H+](Cc2ccccc2)[C@H]2COC(C)(C)C2)c(C#N)c1C ZINC000595634618 858625369 /nfs/dbraw/zinc/62/53/69/858625369.db2.gz DEASPWNIZLZFLQ-GOSISDBHSA-N 1 2 381.476 3.776 20 30 GHEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH2+][C@H](C)c2cscn2)c1C#N ZINC000595668342 858642681 /nfs/dbraw/zinc/64/26/81/858642681.db2.gz MDCCVWAIPMYFKI-CYBMUJFWSA-N 1 2 397.479 3.851 20 30 GHEDLO COc1cccc([C@]2(C)CC[N@@H+]([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)c1 ZINC000595763483 858663365 /nfs/dbraw/zinc/66/33/65/858663365.db2.gz FIKJOWIEZLOFMD-IVZQSRNASA-N 1 2 381.476 3.767 20 30 GHEDLO COc1cccc([C@]2(C)CC[N@H+]([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)c1 ZINC000595763483 858663369 /nfs/dbraw/zinc/66/33/69/858663369.db2.gz FIKJOWIEZLOFMD-IVZQSRNASA-N 1 2 381.476 3.767 20 30 GHEDLO Cc1cc(N(C)Cc2cnccc2C)c(C#N)c(N(C)Cc2cnccc2C)[nH+]1 ZINC000596217685 858818410 /nfs/dbraw/zinc/81/84/10/858818410.db2.gz OIVQWTCINDKCBU-UHFFFAOYSA-N 1 2 386.503 3.941 20 30 GHEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@]3(CCc4ccccc4O3)C2)c(C#N)c1C ZINC000528732663 858862980 /nfs/dbraw/zinc/86/29/80/858862980.db2.gz DHFCEYPXOREAIG-QFIPXVFZSA-N 1 2 379.460 3.566 20 30 GHEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@]3(CCc4ccccc4O3)C2)c(C#N)c1C ZINC000528732663 858862987 /nfs/dbraw/zinc/86/29/87/858862987.db2.gz DHFCEYPXOREAIG-QFIPXVFZSA-N 1 2 379.460 3.566 20 30 GHEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2ccn(-c3c(F)cccc3F)n2)CC1 ZINC000443623968 859082765 /nfs/dbraw/zinc/08/27/65/859082765.db2.gz MNQRNZQPQDVUCV-UHFFFAOYSA-N 1 2 393.441 3.734 20 30 GHEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2ccn(-c3c(F)cccc3F)n2)CC1 ZINC000443623968 859082777 /nfs/dbraw/zinc/08/27/77/859082777.db2.gz MNQRNZQPQDVUCV-UHFFFAOYSA-N 1 2 393.441 3.734 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)c2cc(F)c(C#N)c(F)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000597440223 859551838 /nfs/dbraw/zinc/55/18/38/859551838.db2.gz DWGRYEVRSHXWLG-MSOLQXFVSA-N 1 2 393.796 3.804 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)c2cc(F)c(C#N)c(F)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000597440223 859551842 /nfs/dbraw/zinc/55/18/42/859551842.db2.gz DWGRYEVRSHXWLG-MSOLQXFVSA-N 1 2 393.796 3.804 20 30 GHEDLO CC1(C)CCc2cc(C[NH+]3CCN(c4oc(C5CC5)nc4C#N)CC3)ccc2O1 ZINC000611260255 859670424 /nfs/dbraw/zinc/67/04/24/859670424.db2.gz ODLGOHBLHGXGGH-UHFFFAOYSA-N 1 2 392.503 3.849 20 30 GHEDLO C=CCOc1ccc(-c2nn(C[N@@H+]3CCC[C@H]4COCC[C@H]43)c(=S)o2)cc1 ZINC000765077418 859768888 /nfs/dbraw/zinc/76/88/88/859768888.db2.gz IMSCPNYITJPBEH-FUHWJXTLSA-N 1 2 387.505 3.896 20 30 GHEDLO C=CCOc1ccc(-c2nn(C[N@H+]3CCC[C@H]4COCC[C@H]43)c(=S)o2)cc1 ZINC000765077418 859768892 /nfs/dbraw/zinc/76/88/92/859768892.db2.gz IMSCPNYITJPBEH-FUHWJXTLSA-N 1 2 387.505 3.896 20 30 GHEDLO N#Cc1ccc(C[NH2+][C@H](CO)c2cccc(Cl)c2F)c(Br)c1 ZINC000499941135 860238258 /nfs/dbraw/zinc/23/82/58/860238258.db2.gz CFCXSEZXDPTUTC-OAHLLOKOSA-N 1 2 383.648 3.936 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602860478 860317186 /nfs/dbraw/zinc/31/71/86/860317186.db2.gz INIAJXOCVJKQPQ-GBESFXJTSA-N 1 2 376.504 3.599 20 30 GHEDLO CC(C)c1[nH+]c2c(n1C)CCN(c1nc3c(c(C#N)c1C#N)CCCCCC3)C2 ZINC000330108995 860477158 /nfs/dbraw/zinc/47/71/58/860477158.db2.gz ONKNZNWXFVWVLM-UHFFFAOYSA-N 1 2 388.519 3.904 20 30 GHEDLO C=CCOc1ccc(Cc2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)cc1 ZINC000904498030 860491244 /nfs/dbraw/zinc/49/12/44/860491244.db2.gz RNHQZRFJNNXARR-UHFFFAOYSA-N 1 2 391.471 3.724 20 30 GHEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000474651834 860580621 /nfs/dbraw/zinc/58/06/21/860580621.db2.gz XMQUZKBPNNDEIN-UHFFFAOYSA-N 1 2 397.906 3.544 20 30 GHEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000474651834 860580628 /nfs/dbraw/zinc/58/06/28/860580628.db2.gz XMQUZKBPNNDEIN-UHFFFAOYSA-N 1 2 397.906 3.544 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000603447712 860729415 /nfs/dbraw/zinc/72/94/15/860729415.db2.gz YLJMXEYYGZMOEN-UHFFFAOYSA-N 1 2 388.298 3.752 20 30 GHEDLO Cn1cc(C=NNc2cc[nH+]c3ccccc23)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000730148152 860898779 /nfs/dbraw/zinc/89/87/79/860898779.db2.gz YENWSHYZUHIXGQ-UHFFFAOYSA-N 1 2 399.454 3.665 20 30 GHEDLO COc1ccc(C(N)=[NH+]OCc2cccc(C(=O)Nc3ccccc3)c2)cc1 ZINC000054231048 860983620 /nfs/dbraw/zinc/98/36/20/860983620.db2.gz WDGKOMCMMFZEAK-UHFFFAOYSA-N 1 2 375.428 3.785 20 30 GHEDLO N#Cc1cc(F)ccc1NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000126287171 861011681 /nfs/dbraw/zinc/01/16/81/861011681.db2.gz OSDCUXONXZSFQC-VQTJNVASSA-N 1 2 375.407 3.944 20 30 GHEDLO COc1ccc2c(c1)C[N@@H+](CC(=O)[C@H](C#N)c1nc3ccccc3s1)CC2 ZINC000920088582 881626268 /nfs/dbraw/zinc/62/62/68/881626268.db2.gz ITEJLZOYUVYWFM-KRWDZBQOSA-N 1 2 377.469 3.539 20 30 GHEDLO COc1ccc2c(c1)C[N@H+](CC(=O)[C@H](C#N)c1nc3ccccc3s1)CC2 ZINC000920088582 881626270 /nfs/dbraw/zinc/62/62/70/881626270.db2.gz ITEJLZOYUVYWFM-KRWDZBQOSA-N 1 2 377.469 3.539 20 30 GHEDLO C[C@@H](C#N)CNC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000182844967 863376251 /nfs/dbraw/zinc/37/62/51/863376251.db2.gz LYBZYAFPDAJIBX-HNNXBMFYSA-N 1 2 386.496 3.541 20 30 GHEDLO COc1ccc(-c2noc(C[NH2+]C3(c4ccc(C#N)cc4)CCC3)n2)c(OC)c1 ZINC000594032564 863819218 /nfs/dbraw/zinc/81/92/18/863819218.db2.gz JFLVNACLDYRAIF-UHFFFAOYSA-N 1 2 390.443 3.794 20 30 GHEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)Cc2ccc(OCC#N)cc2)CC1 ZINC000172800023 864001081 /nfs/dbraw/zinc/00/10/81/864001081.db2.gz BVWWWKPPNCIVDF-QGZVFWFLSA-N 1 2 397.906 3.690 20 30 GHEDLO C=CC[N@@H+](CC(=O)N(C)Cc1ccc(OC(F)F)cc1)Cc1cccc(C#N)c1 ZINC000063300829 864489070 /nfs/dbraw/zinc/48/90/70/864489070.db2.gz AVCNGMLPTYNGTH-UHFFFAOYSA-N 1 2 399.441 3.806 20 30 GHEDLO C=CC[N@H+](CC(=O)N(C)Cc1ccc(OC(F)F)cc1)Cc1cccc(C#N)c1 ZINC000063300829 864489078 /nfs/dbraw/zinc/48/90/78/864489078.db2.gz AVCNGMLPTYNGTH-UHFFFAOYSA-N 1 2 399.441 3.806 20 30 GHEDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H](C)c1ccccc1 ZINC000475274894 864678197 /nfs/dbraw/zinc/67/81/97/864678197.db2.gz DRJPGSYZTLVBOR-RBUKOAKNSA-N 1 2 376.504 3.578 20 30 GHEDLO C[N@H+](Cc1cc(Cl)ccc1OCC#N)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000735310924 864735983 /nfs/dbraw/zinc/73/59/83/864735983.db2.gz HALIFXDQGHTLSA-GOSISDBHSA-N 1 2 387.842 3.619 20 30 GHEDLO C[N@@H+](Cc1cc(Cl)ccc1OCC#N)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000735310924 864735988 /nfs/dbraw/zinc/73/59/88/864735988.db2.gz HALIFXDQGHTLSA-GOSISDBHSA-N 1 2 387.842 3.619 20 30 GHEDLO COc1ccc(C(N)=[NH+]OCc2csc(-c3cccs3)n2)cc1OC ZINC000063455484 864746239 /nfs/dbraw/zinc/74/62/39/864746239.db2.gz SVKKGCHLIRYFMJ-UHFFFAOYSA-N 1 2 375.475 3.726 20 30 GHEDLO COc1cc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cc(OC)c1 ZINC000475346988 864824750 /nfs/dbraw/zinc/82/47/50/864824750.db2.gz QFPXPIMXDCTJIT-OAQYLSRUSA-N 1 2 385.895 3.740 20 30 GHEDLO CCN(C)c1ccc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)cn1 ZINC000475354377 864842314 /nfs/dbraw/zinc/84/23/14/864842314.db2.gz YRHCDVBBTDDPEE-FQEVSTJZSA-N 1 2 383.927 3.574 20 30 GHEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(Cc2ccc(C(F)F)cc2)CC1=O ZINC000184831861 864971680 /nfs/dbraw/zinc/97/16/80/864971680.db2.gz PFCUVDHXDKQKEZ-UHFFFAOYSA-N 1 2 382.414 3.784 20 30 GHEDLO CC(C)c1nc(C#N)c(N[NH2+]C=C2CC(F)(F)CN2C(=O)OC(C)(C)C)o1 ZINC000792996624 881865538 /nfs/dbraw/zinc/86/55/38/881865538.db2.gz SJLQDNAHARARMN-NSHDSACASA-N 1 2 383.399 3.712 20 30 GHEDLO C=CCc1cc(CNC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cc(OC)c1OC ZINC000475449502 865479513 /nfs/dbraw/zinc/47/95/13/865479513.db2.gz LMVNYWQSDKOVOW-KRWDZBQOSA-N 1 2 397.519 3.700 20 30 GHEDLO C=CCc1cc(CNC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cc(OC)c1OC ZINC000475449502 865479517 /nfs/dbraw/zinc/47/95/17/865479517.db2.gz LMVNYWQSDKOVOW-KRWDZBQOSA-N 1 2 397.519 3.700 20 30 GHEDLO C=CC[C@@H](NC(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1)c1ccncc1 ZINC000739018636 865676520 /nfs/dbraw/zinc/67/65/20/865676520.db2.gz DLQDQWDCCTYIAJ-HXUWFJFHSA-N 1 2 384.549 3.850 20 30 GHEDLO CC(C)Cc1ccc(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000608793935 865730253 /nfs/dbraw/zinc/73/02/53/865730253.db2.gz BWZNEVDJPJLWNR-UHFFFAOYSA-N 1 2 375.516 3.644 20 30 GHEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(Cc2ccccc2OC)CC1 ZINC000739912785 865827914 /nfs/dbraw/zinc/82/79/14/865827914.db2.gz UIINJAGTALUZMJ-JOCHJYFZSA-N 1 2 378.472 3.736 20 30 GHEDLO COC(=O)c1cc(N[NH+]=C(C)c2c(F)cccc2N2CCOCC2)ccc1C ZINC000793090624 881921261 /nfs/dbraw/zinc/92/12/61/881921261.db2.gz XFKXGJUESIKEAS-UHFFFAOYSA-N 1 2 385.439 3.593 20 30 GHEDLO CCOc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(CC#N)cc3)CC2)cc1 ZINC000192837383 866047028 /nfs/dbraw/zinc/04/70/28/866047028.db2.gz ARFKFSRGMNRPIJ-UHFFFAOYSA-N 1 2 378.476 3.501 20 30 GHEDLO C[NH+](C)c1ccc(N2CCC(N=Nc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000741463599 866530962 /nfs/dbraw/zinc/53/09/62/866530962.db2.gz HFEBSAAHQSJOTR-UHFFFAOYSA-N 1 2 376.464 3.871 20 30 GHEDLO COc1c(C)c[nH+]c(CNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1C ZINC000743216460 867960670 /nfs/dbraw/zinc/96/06/70/867960670.db2.gz PAYNKQUKXXQUFG-UHFFFAOYSA-N 1 2 378.354 3.919 20 30 GHEDLO CC1(C)C[N@H+](CCNC(=O)c2ccc(Sc3ccccc3C#N)cc2)CCO1 ZINC000479565656 868077296 /nfs/dbraw/zinc/07/72/96/868077296.db2.gz BFHVBFSUJCURJE-UHFFFAOYSA-N 1 2 395.528 3.550 20 30 GHEDLO CC1(C)C[N@@H+](CCNC(=O)c2ccc(Sc3ccccc3C#N)cc2)CCO1 ZINC000479565656 868077305 /nfs/dbraw/zinc/07/73/05/868077305.db2.gz BFHVBFSUJCURJE-UHFFFAOYSA-N 1 2 395.528 3.550 20 30 GHEDLO CCOC(=O)[C@@H](c1ccccc1)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000553825255 868316244 /nfs/dbraw/zinc/31/62/44/868316244.db2.gz JQWYUYDVRBLROM-OAQYLSRUSA-N 1 2 391.471 3.513 20 30 GHEDLO C=CCc1cc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)cc(OC)c1O ZINC000155286911 868474437 /nfs/dbraw/zinc/47/44/37/868474437.db2.gz FZHUQKHOXNIRAB-NRFANRHFSA-N 1 2 377.488 3.512 20 30 GHEDLO COc1ccccc1[C@@H]1CCCC[N@@H+]1Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793498857 882248842 /nfs/dbraw/zinc/24/88/42/882248842.db2.gz NZZVGEWRBKUIGT-NRFANRHFSA-N 1 2 377.488 3.792 20 30 GHEDLO COc1ccccc1[C@@H]1CCCC[N@H+]1Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793498857 882248857 /nfs/dbraw/zinc/24/88/57/882248857.db2.gz NZZVGEWRBKUIGT-NRFANRHFSA-N 1 2 377.488 3.792 20 30 GHEDLO CCn1c2ccccc2n(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1=S ZINC000793594506 882299803 /nfs/dbraw/zinc/29/98/03/882299803.db2.gz ZTLORJOUZGSQKT-MRXNPFEDSA-N 1 2 379.489 3.570 20 30 GHEDLO CCn1c2ccccc2n(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1=S ZINC000793594506 882299814 /nfs/dbraw/zinc/29/98/14/882299814.db2.gz ZTLORJOUZGSQKT-MRXNPFEDSA-N 1 2 379.489 3.570 20 30 GHEDLO C=CC[N@H+](CC(=O)N[C@H](C)Cc1c(F)cccc1F)Cc1ccc(OC)cc1 ZINC000524754352 869526119 /nfs/dbraw/zinc/52/61/19/869526119.db2.gz ZUTOCXSWBKSPSY-MRXNPFEDSA-N 1 2 388.458 3.709 20 30 GHEDLO C=CC[N@@H+](CC(=O)N[C@H](C)Cc1c(F)cccc1F)Cc1ccc(OC)cc1 ZINC000524754352 869526129 /nfs/dbraw/zinc/52/61/29/869526129.db2.gz ZUTOCXSWBKSPSY-MRXNPFEDSA-N 1 2 388.458 3.709 20 30 GHEDLO C=CC[C@H](NC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)c1ccncc1 ZINC000745828791 869851309 /nfs/dbraw/zinc/85/13/09/869851309.db2.gz VUMMOBKCHKOPKG-QFIPXVFZSA-N 1 2 393.535 3.733 20 30 GHEDLO CC(C)[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)N[C@@](C)(C2CCCCC2)C1=O ZINC000746032612 869959897 /nfs/dbraw/zinc/95/98/97/869959897.db2.gz BBHWLSAWJPUMCI-QFIPXVFZSA-N 1 2 382.508 3.617 20 30 GHEDLO CC(C)[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)N[C@@](C)(C2CCCCC2)C1=O ZINC000746032612 869959905 /nfs/dbraw/zinc/95/99/05/869959905.db2.gz BBHWLSAWJPUMCI-QFIPXVFZSA-N 1 2 382.508 3.617 20 30 GHEDLO Cc1cc(C)n2c(nn(C[N@H+](Cc3ccc(C#N)cc3)CC(C)C)c2=S)n1 ZINC000746055794 869984134 /nfs/dbraw/zinc/98/41/34/869984134.db2.gz GCZMVOQLHQGCNP-UHFFFAOYSA-N 1 2 380.521 3.865 20 30 GHEDLO Cc1cc(C)n2c(nn(C[N@@H+](Cc3ccc(C#N)cc3)CC(C)C)c2=S)n1 ZINC000746055794 869984144 /nfs/dbraw/zinc/98/41/44/869984144.db2.gz GCZMVOQLHQGCNP-UHFFFAOYSA-N 1 2 380.521 3.865 20 30 GHEDLO C=CCOc1ccc(/C=C\C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1OC ZINC000920768866 882371253 /nfs/dbraw/zinc/37/12/53/882371253.db2.gz WDPJOKDURQYUQV-CIGMURNLSA-N 1 2 383.492 3.701 20 30 GHEDLO C=CCOc1cccnc1C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000540445133 871284461 /nfs/dbraw/zinc/28/44/61/871284461.db2.gz HNHTVBILIJSURK-UHFFFAOYSA-N 1 2 385.895 3.648 20 30 GHEDLO C=CCOc1cccnc1C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000540445133 871284478 /nfs/dbraw/zinc/28/44/78/871284478.db2.gz HNHTVBILIJSURK-UHFFFAOYSA-N 1 2 385.895 3.648 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)Nc2ccc(C#N)cc2)[C@H](C)C1 ZINC000441238649 871358881 /nfs/dbraw/zinc/35/88/81/871358881.db2.gz ZBQUITLSEMPAHT-QGZVFWFLSA-N 1 2 378.476 3.695 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)Nc2ccc(C#N)cc2)[C@H](C)C1 ZINC000441238649 871358894 /nfs/dbraw/zinc/35/88/94/871358894.db2.gz ZBQUITLSEMPAHT-QGZVFWFLSA-N 1 2 378.476 3.695 20 30 GHEDLO C=CC[N@@H+](CCOC)CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001193989683 871421018 /nfs/dbraw/zinc/42/10/18/871421018.db2.gz JUOJHPJDAPQGSZ-UHFFFAOYSA-N 1 2 384.320 3.797 20 30 GHEDLO C=CC[N@H+](CCOC)CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001193989683 871421021 /nfs/dbraw/zinc/42/10/21/871421021.db2.gz JUOJHPJDAPQGSZ-UHFFFAOYSA-N 1 2 384.320 3.797 20 30 GHEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(N[C@@H]2CCc3ccccc3[C@H]2O)[nH+]1 ZINC001169620706 871682333 /nfs/dbraw/zinc/68/23/33/871682333.db2.gz BCARLCGPLHVMRT-RWEJHGIFSA-N 1 2 385.533 3.731 20 30 GHEDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1)c1cccc(C#N)c1 ZINC000182011416 871712378 /nfs/dbraw/zinc/71/23/78/871712378.db2.gz VLHSZUYMAKYNMN-GFCCVEGCSA-N 1 2 382.265 3.957 20 30 GHEDLO N#Cc1cccc(OCCC[N@H+]2CCOc3ccc(Br)cc3C2)c1 ZINC001169704979 871788801 /nfs/dbraw/zinc/78/88/01/871788801.db2.gz QYGLWVUWYHGBPL-UHFFFAOYSA-N 1 2 387.277 3.984 20 30 GHEDLO N#Cc1cccc(OCCC[N@@H+]2CCOc3ccc(Br)cc3C2)c1 ZINC001169704979 871788822 /nfs/dbraw/zinc/78/88/22/871788822.db2.gz QYGLWVUWYHGBPL-UHFFFAOYSA-N 1 2 387.277 3.984 20 30 GHEDLO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000766941676 872101495 /nfs/dbraw/zinc/10/14/95/872101495.db2.gz IYXGWABAANLKRS-YOEHRIQHSA-N 1 2 379.485 3.741 20 30 GHEDLO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000766941676 872101505 /nfs/dbraw/zinc/10/15/05/872101505.db2.gz IYXGWABAANLKRS-YOEHRIQHSA-N 1 2 379.485 3.741 20 30 GHEDLO C[C@H](NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1cccc(C#N)c1 ZINC000619033314 872247732 /nfs/dbraw/zinc/24/77/32/872247732.db2.gz WZAISJCTXQZJIE-INIZCTEOSA-N 1 2 377.492 3.741 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000552403314 872621304 /nfs/dbraw/zinc/62/13/04/872621304.db2.gz CHYIJJFXBRITJF-UXHICEINSA-N 1 2 399.416 3.569 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000552403314 872621309 /nfs/dbraw/zinc/62/13/09/872621309.db2.gz CHYIJJFXBRITJF-UXHICEINSA-N 1 2 399.416 3.569 20 30 GHEDLO Cc1cc(N2CCN(c3ccc(C(F)(F)F)c(C#N)n3)CC2)nc(C(C)C)[nH+]1 ZINC000619694426 872909417 /nfs/dbraw/zinc/90/94/17/872909417.db2.gz VJBFUFMMXHDESI-UHFFFAOYSA-N 1 2 390.413 3.521 20 30 GHEDLO N#CCn1c(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc2ccccc21 ZINC000619713245 872911936 /nfs/dbraw/zinc/91/19/36/872911936.db2.gz VHJUZBWLBDXMQD-SFHVURJKSA-N 1 2 387.487 3.717 20 30 GHEDLO CC1CCC2(CC(=O)N(C[N@H+]3CC=C(c4ccc(C#N)cc4)CC3)C2=O)CC1 ZINC000767986434 873001461 /nfs/dbraw/zinc/00/14/61/873001461.db2.gz JTOYYIIJUOMPFC-UHFFFAOYSA-N 1 2 377.488 3.560 20 30 GHEDLO CC1CCC2(CC(=O)N(C[N@@H+]3CC=C(c4ccc(C#N)cc4)CC3)C2=O)CC1 ZINC000767986434 873001481 /nfs/dbraw/zinc/00/14/81/873001481.db2.gz JTOYYIIJUOMPFC-UHFFFAOYSA-N 1 2 377.488 3.560 20 30 GHEDLO CCC[N@H+](CC(=O)NC1(C#N)CCC1)[C@H](C)c1ccccc1Br ZINC000527377202 873115204 /nfs/dbraw/zinc/11/52/04/873115204.db2.gz LHYONBDFYJGENA-CQSZACIVSA-N 1 2 378.314 3.785 20 30 GHEDLO CCC[N@@H+](CC(=O)NC1(C#N)CCC1)[C@H](C)c1ccccc1Br ZINC000527377202 873115210 /nfs/dbraw/zinc/11/52/10/873115210.db2.gz LHYONBDFYJGENA-CQSZACIVSA-N 1 2 378.314 3.785 20 30 GHEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2ccnn2-c2ccccc2)CC1 ZINC000448333285 873247919 /nfs/dbraw/zinc/24/79/19/873247919.db2.gz BBUPMENQPOKPHO-UHFFFAOYSA-N 1 2 394.482 3.614 20 30 GHEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000768550919 873379579 /nfs/dbraw/zinc/37/95/79/873379579.db2.gz DGFYPOHTHZPFQN-FXAWDEMLSA-N 1 2 395.528 3.987 20 30 GHEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000768550919 873379592 /nfs/dbraw/zinc/37/95/92/873379592.db2.gz DGFYPOHTHZPFQN-FXAWDEMLSA-N 1 2 395.528 3.987 20 30 GHEDLO C[C@@]([NH2+]CC#Cc1ccc(Cl)cc1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000177387013 882817737 /nfs/dbraw/zinc/81/77/37/882817737.db2.gz LBKHJOFYJHWLGS-SFHVURJKSA-N 1 2 380.797 3.701 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](C[C@@H](O)c3cccc(Cl)c3)CC2)c(Cl)c1 ZINC000769920564 874342575 /nfs/dbraw/zinc/34/25/75/874342575.db2.gz JUVATBKZMYAPFU-LJQANCHMSA-N 1 2 376.287 3.721 20 30 GHEDLO C#C[C@H](C)[N@H+](C)CC(=O)Nc1ccc(Oc2ccc(Br)cc2)nc1 ZINC000769962085 874367244 /nfs/dbraw/zinc/36/72/44/874367244.db2.gz PXOQUOKTCYWKSA-ZDUSSCGKSA-N 1 2 388.265 3.528 20 30 GHEDLO C#C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(Oc2ccc(Br)cc2)nc1 ZINC000769962085 874367260 /nfs/dbraw/zinc/36/72/60/874367260.db2.gz PXOQUOKTCYWKSA-ZDUSSCGKSA-N 1 2 388.265 3.528 20 30 GHEDLO CC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000464823590 874582400 /nfs/dbraw/zinc/58/24/00/874582400.db2.gz QOQVCTGZHSKYMF-FGZHOGPDSA-N 1 2 375.472 3.990 20 30 GHEDLO CC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000464823590 874582417 /nfs/dbraw/zinc/58/24/17/874582417.db2.gz QOQVCTGZHSKYMF-FGZHOGPDSA-N 1 2 375.472 3.990 20 30 GHEDLO N#Cc1ccc(-n2ccc(NCc3cc(-n4cc[nH+]c4)cs3)n2)c(Cl)c1 ZINC000542310282 875351325 /nfs/dbraw/zinc/35/13/25/875351325.db2.gz JIPXOHQYGOOYHH-UHFFFAOYSA-N 1 2 380.864 3.679 20 30 GHEDLO N#Cc1ccc(Nc2cncnc2[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(F)c1 ZINC001201555872 875741246 /nfs/dbraw/zinc/74/12/46/875741246.db2.gz OCYKEAWXQXKSPU-OAQYLSRUSA-N 1 2 389.434 3.804 20 30 GHEDLO N#Cc1ccc(Nc2cncnc2[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(F)c1 ZINC001201555872 875741253 /nfs/dbraw/zinc/74/12/53/875741253.db2.gz OCYKEAWXQXKSPU-OAQYLSRUSA-N 1 2 389.434 3.804 20 30 GHEDLO C=CCn1c(-c2ccccc2F)nn(C[N@H+](C)C[C@@H]2CCCOC2)c1=S ZINC000107671906 876382299 /nfs/dbraw/zinc/38/22/99/876382299.db2.gz LBNYYGBTBJSSFB-HNNXBMFYSA-N 1 2 376.501 3.722 20 30 GHEDLO C=CCn1c(-c2ccccc2F)nn(C[N@@H+](C)C[C@@H]2CCCOC2)c1=S ZINC000107671906 876382311 /nfs/dbraw/zinc/38/23/11/876382311.db2.gz LBNYYGBTBJSSFB-HNNXBMFYSA-N 1 2 376.501 3.722 20 30 GHEDLO Cc1ccccc1O[C@@H](C)C(=O)N1CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000609915648 877181992 /nfs/dbraw/zinc/18/19/92/877181992.db2.gz IPZVUFJWAOESGL-MOPGFXCFSA-N 1 2 377.488 3.539 20 30 GHEDLO CCO[C@@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)C1 ZINC000610002123 877276051 /nfs/dbraw/zinc/27/60/51/877276051.db2.gz DTTPXUIBIKUSFW-LJQANCHMSA-N 1 2 398.482 3.544 20 30 GHEDLO CCO[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)C1 ZINC000610002123 877276065 /nfs/dbraw/zinc/27/60/65/877276065.db2.gz DTTPXUIBIKUSFW-LJQANCHMSA-N 1 2 398.482 3.544 20 30 GHEDLO C=C[C@@](C)(CC)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787533510 877458338 /nfs/dbraw/zinc/45/83/38/877458338.db2.gz NSHQODVWVFQNNB-SFHVURJKSA-N 1 2 380.330 3.742 20 30 GHEDLO OC[C@@]1(F)C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1c1ccccc1 ZINC000451277930 877700793 /nfs/dbraw/zinc/70/07/93/877700793.db2.gz BRHMGFBNYMIUPW-UXHICEINSA-N 1 2 393.380 3.737 20 30 GHEDLO OC[C@@]1(F)C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1c1ccccc1 ZINC000451277930 877700813 /nfs/dbraw/zinc/70/08/13/877700813.db2.gz BRHMGFBNYMIUPW-UXHICEINSA-N 1 2 393.380 3.737 20 30 GHEDLO N#C[C@@H](CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1c(Cl)cccc1Cl ZINC001183128104 912273571 /nfs/dbraw/zinc/27/35/71/912273571.db2.gz OMUGYTCFZNXDEE-ZIAGYGMSSA-N 1 2 389.286 3.781 20 30 GHEDLO O=c1[nH]ccc2cc(N[NH+]=Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)ccc21 ZINC000789073211 878585759 /nfs/dbraw/zinc/58/57/59/878585759.db2.gz HNZAFEUDMGQEIY-UHFFFAOYSA-N 1 2 391.431 3.873 20 30 GHEDLO CN(C)c1[nH+]ccc2cc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)ccc21 ZINC000452355703 879331046 /nfs/dbraw/zinc/33/10/46/879331046.db2.gz OKFHFUZKQGHYDL-NRFANRHFSA-N 1 2 382.464 3.501 20 30 GHEDLO CCCCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(C#N)ccc2Br)C1=O ZINC001275190950 912569404 /nfs/dbraw/zinc/56/94/04/912569404.db2.gz DSNNZWQTERFWKY-IBGZPJMESA-N 1 2 390.325 3.688 20 30 GHEDLO CCCCN1CC[C@@]2(CCC[N@H+]2Cc2cc(C#N)ccc2Br)C1=O ZINC001275190950 912569415 /nfs/dbraw/zinc/56/94/15/912569415.db2.gz DSNNZWQTERFWKY-IBGZPJMESA-N 1 2 390.325 3.688 20 30 GHEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000791619859 880545500 /nfs/dbraw/zinc/54/55/00/880545500.db2.gz OJSQVSATXOODHP-VQTJNVASSA-N 1 2 390.314 3.909 20 30 GHEDLO N#CCc1ccc(Oc2ccc(C(=O)N3CCc4cc[nH+]c(N)c4C3)cc2)cc1 ZINC001170258500 881274237 /nfs/dbraw/zinc/27/42/37/881274237.db2.gz OQCAPTUAWUCDKT-UHFFFAOYSA-N 1 2 384.439 3.721 20 30 GHEDLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)c(OC)c1 ZINC000193193120 883154691 /nfs/dbraw/zinc/15/46/91/883154691.db2.gz UNULVMZDEINOKZ-MRXNPFEDSA-N 1 2 399.466 3.610 20 30 GHEDLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)c(OC)c1 ZINC000193193120 883154699 /nfs/dbraw/zinc/15/46/99/883154699.db2.gz UNULVMZDEINOKZ-MRXNPFEDSA-N 1 2 399.466 3.610 20 30 GHEDLO N#Cc1ccc(C2(C(=O)Nc3cccc(C[NH+]4CCOCC4)c3)CCCC2)cc1 ZINC000858750334 883326469 /nfs/dbraw/zinc/32/64/69/883326469.db2.gz SVMBNFDKBUUYCP-UHFFFAOYSA-N 1 2 389.499 3.841 20 30 GHEDLO C[C@H](NC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)c1ccc(C#N)cc1 ZINC000609546547 883338492 /nfs/dbraw/zinc/33/84/92/883338492.db2.gz ZJJYTAKNTPUJRF-MAUKXSAKSA-N 1 2 398.457 3.861 20 30 GHEDLO C[C@H](NC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)c1ccc(C#N)cc1 ZINC000609546547 883338506 /nfs/dbraw/zinc/33/85/06/883338506.db2.gz ZJJYTAKNTPUJRF-MAUKXSAKSA-N 1 2 398.457 3.861 20 30 GHEDLO N#Cc1ncc(C(F)(F)F)cc1N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000858821264 883379875 /nfs/dbraw/zinc/37/98/75/883379875.db2.gz CJAMRSQABDELIS-UHFFFAOYSA-N 1 2 385.393 3.776 20 30 GHEDLO C#C[C@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccc(Cl)cc1F ZINC000804898922 883464558 /nfs/dbraw/zinc/46/45/58/883464558.db2.gz MQGNOMPVCPRIGI-FQEVSTJZSA-N 1 2 396.853 3.898 20 30 GHEDLO N#Cc1cccc(OCc2cccc(C(=O)NCC[NH+]3Cc4ccccc4C3)c2)c1 ZINC000609660731 883501685 /nfs/dbraw/zinc/50/16/85/883501685.db2.gz PKSKRBGXSUGNFK-UHFFFAOYSA-N 1 2 397.478 3.883 20 30 GHEDLO C#C[C@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccc(Cl)cc1F ZINC000804980528 883526060 /nfs/dbraw/zinc/52/60/60/883526060.db2.gz VKHGBDBLCLKOSI-SFHVURJKSA-N 1 2 382.826 3.839 20 30 GHEDLO N#CCCN(C(=O)C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12)c1cccc(Cl)c1 ZINC000186648225 883680681 /nfs/dbraw/zinc/68/06/81/883680681.db2.gz WEEQVUADMNXUBA-QFIPXVFZSA-N 1 2 395.890 3.718 20 30 GHEDLO N#CCCN(C(=O)C[N@H+]1CC[C@@]2(C1)OCc1ccccc12)c1cccc(Cl)c1 ZINC000186648225 883680694 /nfs/dbraw/zinc/68/06/94/883680694.db2.gz WEEQVUADMNXUBA-QFIPXVFZSA-N 1 2 395.890 3.718 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000054392653 883693866 /nfs/dbraw/zinc/69/38/66/883693866.db2.gz RKWMCWZTXATPST-INIZCTEOSA-N 1 2 397.544 3.668 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000054392653 883693873 /nfs/dbraw/zinc/69/38/73/883693873.db2.gz RKWMCWZTXATPST-INIZCTEOSA-N 1 2 397.544 3.668 20 30 GHEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000194619525 883873039 /nfs/dbraw/zinc/87/30/39/883873039.db2.gz XIZIEKMOSPFITA-UHFFFAOYSA-N 1 2 385.471 3.701 20 30 GHEDLO CNC(=O)c1ccc(C[N@H+](Cc2ccc(Br)cc2C#N)C2CC2)cc1 ZINC000805733776 884047339 /nfs/dbraw/zinc/04/73/39/884047339.db2.gz LOUUDQVFLWRASY-UHFFFAOYSA-N 1 2 398.304 3.845 20 30 GHEDLO CNC(=O)c1ccc(C[N@@H+](Cc2ccc(Br)cc2C#N)C2CC2)cc1 ZINC000805733776 884047350 /nfs/dbraw/zinc/04/73/50/884047350.db2.gz LOUUDQVFLWRASY-UHFFFAOYSA-N 1 2 398.304 3.845 20 30 GHEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000805784086 884067548 /nfs/dbraw/zinc/06/75/48/884067548.db2.gz FJUPXVBGOZMHIO-FCHUYYIVSA-N 1 2 386.499 3.638 20 30 GHEDLO C=CCCOCC[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F ZINC000494967188 884300128 /nfs/dbraw/zinc/30/01/28/884300128.db2.gz GHRNEQWEPIUZDF-FQEVSTJZSA-N 1 2 395.471 3.640 20 30 GHEDLO N#CCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(F)c(Cl)cc1F)CC2 ZINC001275259707 912874998 /nfs/dbraw/zinc/87/49/98/912874998.db2.gz BWVYYURVHZUBDT-AWEZNQCLSA-N 1 2 381.854 3.640 20 30 GHEDLO Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104713347 885573503 /nfs/dbraw/zinc/57/35/03/885573503.db2.gz KFZOLDQVAODVPQ-MRXNPFEDSA-N 1 2 381.451 3.876 20 30 GHEDLO CCCCCCCNC(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000861921764 885994373 /nfs/dbraw/zinc/99/43/73/885994373.db2.gz KHVWWQHYBQQDRS-UHFFFAOYSA-N 1 2 380.492 3.627 20 30 GHEDLO C[C@@H]1CN(c2ccc(NC3CCN(c4ccc(C#N)cc4)CC3)c[nH+]2)C[C@@H](C)O1 ZINC000556878004 886467117 /nfs/dbraw/zinc/46/71/17/886467117.db2.gz JMOILCBVTFGNQX-QZTJIDSGSA-N 1 2 391.519 3.648 20 30 GHEDLO N#CCc1cccc2c1CC[N@@H+](CN1C[C@@H](c3cccc(Cl)c3)CC1=O)C2 ZINC000863335714 887038670 /nfs/dbraw/zinc/03/86/70/887038670.db2.gz JPNRTPRIKRWEGP-IBGZPJMESA-N 1 2 379.891 3.738 20 30 GHEDLO N#CCc1cccc2c1CC[N@H+](CN1C[C@@H](c3cccc(Cl)c3)CC1=O)C2 ZINC000863335714 887038676 /nfs/dbraw/zinc/03/86/76/887038676.db2.gz JPNRTPRIKRWEGP-IBGZPJMESA-N 1 2 379.891 3.738 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)c([N+](=O)[O-])c1 ZINC000032534276 887281891 /nfs/dbraw/zinc/28/18/91/887281891.db2.gz CNHRZVQIQQWPHL-UHFFFAOYSA-N 1 2 390.365 3.807 20 30 GHEDLO C=CCC1(CNC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CCCC1 ZINC000454235335 887341505 /nfs/dbraw/zinc/34/15/05/887341505.db2.gz BTMDLOSYYJBPPF-UHFFFAOYSA-N 1 2 398.551 3.525 20 30 GHEDLO C#CCOc1ccccc1-c1noc(Cn2c(C)[nH+]c3cc(F)c(F)cc32)n1 ZINC000809394879 887395261 /nfs/dbraw/zinc/39/52/61/887395261.db2.gz BEMKZSYTNBRZNX-UHFFFAOYSA-N 1 2 380.354 3.733 20 30 GHEDLO C#C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccc(Cl)cc1F ZINC000809699851 887681755 /nfs/dbraw/zinc/68/17/55/887681755.db2.gz TYARJZHHBPAYQK-IBGZPJMESA-N 1 2 376.834 3.919 20 30 GHEDLO Cc1noc(C)c1-c1csc(=Nc2ccccc2C#N)n1Cc1c[nH+]cn1C ZINC000809935317 887987451 /nfs/dbraw/zinc/98/74/51/887987451.db2.gz RUTNLIWFPAIZLZ-UHFFFAOYSA-N 1 2 390.472 3.707 20 30 GHEDLO CC(C)C[N@H+](CCC#N)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000809948680 888014527 /nfs/dbraw/zinc/01/45/27/888014527.db2.gz JPUDLQAZWKCWLJ-UHFFFAOYSA-N 1 2 387.221 3.571 20 30 GHEDLO CC(C)C[N@@H+](CCC#N)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000809948680 888014536 /nfs/dbraw/zinc/01/45/36/888014536.db2.gz JPUDLQAZWKCWLJ-UHFFFAOYSA-N 1 2 387.221 3.571 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCCC[C@H]2COC(=O)NC2CC2)c1 ZINC000810039652 888121871 /nfs/dbraw/zinc/12/18/71/888121871.db2.gz GPJPDGNZWXYFPF-INIZCTEOSA-N 1 2 392.297 3.564 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@H+]2CCCC[C@H]2COC(=O)NC2CC2)c1 ZINC000810039652 888121877 /nfs/dbraw/zinc/12/18/77/888121877.db2.gz GPJPDGNZWXYFPF-INIZCTEOSA-N 1 2 392.297 3.564 20 30 GHEDLO COc1cc(Br)c(C[NH2+][C@@H](C)c2cccc(C#N)c2O)cc1OC ZINC000866295135 888819876 /nfs/dbraw/zinc/81/98/76/888819876.db2.gz SNNUWJLSDDOGTA-NSHDSACASA-N 1 2 391.265 3.894 20 30 GHEDLO CC(C)(CCC#N)CNC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000496651881 888977127 /nfs/dbraw/zinc/97/71/27/888977127.db2.gz QAWLWQXKYWZOEE-OAHLLOKOSA-N 1 2 378.467 3.558 20 30 GHEDLO CC(C)(CCC#N)CNC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000496651881 888977132 /nfs/dbraw/zinc/97/71/32/888977132.db2.gz QAWLWQXKYWZOEE-OAHLLOKOSA-N 1 2 378.467 3.558 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCCC[C@@H]2c2ccnn2C)c1 ZINC000533219154 890024231 /nfs/dbraw/zinc/02/42/31/890024231.db2.gz ZZJXGSORPPIAOV-OAQYLSRUSA-N 1 2 379.508 3.511 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2c2ccnn2C)c1 ZINC000533219154 890024245 /nfs/dbraw/zinc/02/42/45/890024245.db2.gz ZZJXGSORPPIAOV-OAQYLSRUSA-N 1 2 379.508 3.511 20 30 GHEDLO C#C[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(Cl)cc1 ZINC000811867425 890062601 /nfs/dbraw/zinc/06/26/01/890062601.db2.gz NMZQTDWHNJRZCO-SFHVURJKSA-N 1 2 382.826 3.839 20 30 GHEDLO N#CCOc1ccc(Nc2cc(I)c3[nH+]ccn3c2)cc1 ZINC001212607263 891124100 /nfs/dbraw/zinc/12/41/00/891124100.db2.gz UOSFGNBEQIXKGR-UHFFFAOYSA-N 1 2 390.184 3.585 20 30 GHEDLO C#C[C@@H](NC(=O)Nc1ccccc1OCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000812933976 891141807 /nfs/dbraw/zinc/14/18/07/891141807.db2.gz OPOMYSPJAXKPSL-GOSISDBHSA-N 1 2 378.407 3.597 20 30 GHEDLO N#Cc1ccnc(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000497575338 891886470 /nfs/dbraw/zinc/88/64/70/891886470.db2.gz ROXVDMCQHANGPM-UHFFFAOYSA-N 1 2 389.286 3.654 20 30 GHEDLO CCOC(=O)n1nc2c(c1Nc1nc(C(C)(C)C)ccc1C#N)C[NH2+]C2(C)C ZINC001170757513 893068351 /nfs/dbraw/zinc/06/83/51/893068351.db2.gz XLTUIDMHRNPWDP-UHFFFAOYSA-N 1 2 382.468 3.534 20 30 GHEDLO C#CCOc1cccc(Cl)c1C[NH2+]Cc1cc2c(cc1OC(F)F)OCO2 ZINC000778176242 893089695 /nfs/dbraw/zinc/08/96/95/893089695.db2.gz HGCGNFBQKVTQSC-UHFFFAOYSA-N 1 2 395.789 3.972 20 30 GHEDLO C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+](C)Cc1cc(C#N)cs1 ZINC000933776331 893211535 /nfs/dbraw/zinc/21/15/35/893211535.db2.gz BDARFTKXMMUXDJ-CYBMUJFWSA-N 1 2 384.530 3.708 20 30 GHEDLO C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933776331 893211547 /nfs/dbraw/zinc/21/15/47/893211547.db2.gz BDARFTKXMMUXDJ-CYBMUJFWSA-N 1 2 384.530 3.708 20 30 GHEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccc(C#N)cc2C2CC2)CC1 ZINC000933838972 893250083 /nfs/dbraw/zinc/25/00/83/893250083.db2.gz UEIRQKZQMWRXPB-INIZCTEOSA-N 1 2 375.476 3.741 20 30 GHEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cnc(C#N)c(Cl)c2)CC1 ZINC000455793830 893282390 /nfs/dbraw/zinc/28/23/90/893282390.db2.gz SHYNNFQCIFJMPC-LBPRGKRZSA-N 1 2 375.885 3.579 20 30 GHEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 ZINC000563485825 893802099 /nfs/dbraw/zinc/80/20/99/893802099.db2.gz LCZOHUPPQWOELP-HNNXBMFYSA-N 1 2 388.431 3.500 20 30 GHEDLO C=CCCn1cc(C[NH2+]Cc2cc(F)cc(NC(=O)OC(C)(C)C)c2)nn1 ZINC000877809623 893819463 /nfs/dbraw/zinc/81/94/63/893819463.db2.gz JZVGNOYUDODODL-UHFFFAOYSA-N 1 2 375.448 3.630 20 30 GHEDLO N#Cc1ccc(CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)s1 ZINC000565475220 895661718 /nfs/dbraw/zinc/66/17/18/895661718.db2.gz YPSICYUVUCJDEO-RBUKOAKNSA-N 1 2 377.473 3.544 20 30 GHEDLO Cc1nc(C#N)cc(Sc2nnc([C@H](C)[NH+](C)C)n2-c2ccc(Cl)cc2)n1 ZINC000881780490 896516042 /nfs/dbraw/zinc/51/60/42/896516042.db2.gz MSHDBENKFSZPKB-NSHDSACASA-N 1 2 399.911 3.665 20 30 GHEDLO C=CCOc1ccc(-c2nn(CN(C)CCCn3cc[nH+]c3)c(=S)o2)cc1 ZINC000130640619 897166710 /nfs/dbraw/zinc/16/67/10/897166710.db2.gz XKLHTNJDIHHUHA-UHFFFAOYSA-N 1 2 385.493 3.613 20 30 GHEDLO O[C@H](C[NH2+][C@H](c1cccnc1)c1ccc(F)cc1F)C(F)(F)C(F)(F)F ZINC000883361129 897534669 /nfs/dbraw/zinc/53/46/69/897534669.db2.gz UWNJYRABLLYBEF-ZIAGYGMSSA-N 1 2 382.279 3.597 20 30 GHEDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)Nc1ccc(CC#N)cc1 ZINC000102952364 898053716 /nfs/dbraw/zinc/05/37/16/898053716.db2.gz SMTXOZMUIWYZKR-LJQANCHMSA-N 1 2 392.503 3.507 20 30 GHEDLO N#C[C@H]1CC=C(Nc2cncnc2[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC001212855537 898378474 /nfs/dbraw/zinc/37/84/74/898378474.db2.gz YZDMHNMREDZYSZ-LAUBAEHRSA-N 1 2 375.476 3.670 20 30 GHEDLO N#C[C@H]1CC=C(Nc2cncnc2[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC001212855537 898378487 /nfs/dbraw/zinc/37/84/87/898378487.db2.gz YZDMHNMREDZYSZ-LAUBAEHRSA-N 1 2 375.476 3.670 20 30 GHEDLO CC(C)CCN(CCC(C)C)C(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000569827326 898970111 /nfs/dbraw/zinc/97/01/11/898970111.db2.gz OPPYWEHHFAPOGF-UHFFFAOYSA-N 1 2 384.568 3.860 20 30 GHEDLO CCCC[C@H](ON=C(C)C)C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC001136723248 899034417 /nfs/dbraw/zinc/03/44/17/899034417.db2.gz WTNJIMBOKSDXMM-RXVVDRJESA-N 1 2 389.540 3.872 20 30 GHEDLO C/C(=C\C(=O)Nc1ccn2cc[nH+]c2c1)C(=O)c1ccc(Br)cc1 ZINC001143881318 900676308 /nfs/dbraw/zinc/67/63/08/900676308.db2.gz XLZFKDDJDHVZAJ-ZRDIBKRKSA-N 1 2 384.233 3.865 20 30 GHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)c1C ZINC000576561080 902097298 /nfs/dbraw/zinc/09/72/98/902097298.db2.gz XEFRWMQJWFMRPD-UHFFFAOYSA-N 1 2 389.499 3.803 20 30 GHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)c1C ZINC000576561080 902097304 /nfs/dbraw/zinc/09/73/04/902097304.db2.gz XEFRWMQJWFMRPD-UHFFFAOYSA-N 1 2 389.499 3.803 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2CCc1c(Cl)nc(C)nc1Cl ZINC001275536425 914622111 /nfs/dbraw/zinc/62/21/11/914622111.db2.gz MPKFAOORWQHOIP-IBGZPJMESA-N 1 2 397.350 3.667 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2CCc1c(Cl)nc(C)nc1Cl ZINC001275536425 914622120 /nfs/dbraw/zinc/62/21/20/914622120.db2.gz MPKFAOORWQHOIP-IBGZPJMESA-N 1 2 397.350 3.667 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000152483802 904274451 /nfs/dbraw/zinc/27/44/51/904274451.db2.gz FRXGEZSIPTVCKS-INIZCTEOSA-N 1 2 397.548 3.709 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000152483802 904274459 /nfs/dbraw/zinc/27/44/59/904274459.db2.gz FRXGEZSIPTVCKS-INIZCTEOSA-N 1 2 397.548 3.709 20 30 GHEDLO CC[C@H](C)c1ccccc1OCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000036714339 904512595 /nfs/dbraw/zinc/51/25/95/904512595.db2.gz NUAFLQUJDGDPCU-IBGZPJMESA-N 1 2 391.515 3.795 20 30 GHEDLO COC(=O)[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171969306 905161124 /nfs/dbraw/zinc/16/11/24/905161124.db2.gz IRJGKQDNRAZJIW-LIRRHRJNSA-N 1 2 390.405 3.882 20 30 GHEDLO CC(=O)NCC[N@H+](Cc1ccc(C)s1)Cc1cc(Cl)ccc1OCC#N ZINC000801561021 921133912 /nfs/dbraw/zinc/13/39/12/921133912.db2.gz LSAIEKADKZMBDE-UHFFFAOYSA-N 1 2 391.924 3.751 20 30 GHEDLO CC(=O)NCC[N@@H+](Cc1ccc(C)s1)Cc1cc(Cl)ccc1OCC#N ZINC000801561021 921133914 /nfs/dbraw/zinc/13/39/14/921133914.db2.gz LSAIEKADKZMBDE-UHFFFAOYSA-N 1 2 391.924 3.751 20 30 GHEDLO Cc1nc(/C=C2/CN(c3ccccc3)C/C(=C/c3[nH]c(C)c(C)[nH+]3)C2=O)[nH]c1C ZINC000901467537 921136568 /nfs/dbraw/zinc/13/65/68/921136568.db2.gz SGHAIYOEIMMGHU-BJPQZVBLSA-N 1 2 387.487 3.923 20 30 GHEDLO C[C@H](CCCC#N)[NH2+][C@@H](CCC(=O)OC(C)(C)C)C(=O)OCc1ccccc1 ZINC001172484298 905558315 /nfs/dbraw/zinc/55/83/15/905558315.db2.gz CBAHPXDEIDNMRB-MJGOQNOKSA-N 1 2 388.508 3.892 20 30 GHEDLO C[C@H]1C[N@H+]([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)[C@@H](c2ccccc2)CO1 ZINC001172992844 906103443 /nfs/dbraw/zinc/10/34/43/906103443.db2.gz GGQFIJGAIIIUSU-OJAHFUOMSA-N 1 2 385.508 3.740 20 30 GHEDLO C[C@H]1C[N@@H+]([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)[C@@H](c2ccccc2)CO1 ZINC001172992844 906103451 /nfs/dbraw/zinc/10/34/51/906103451.db2.gz GGQFIJGAIIIUSU-OJAHFUOMSA-N 1 2 385.508 3.740 20 30 GHEDLO C=CCOC1CCC([NH2+][C@@H](CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CC1 ZINC001173311173 906363725 /nfs/dbraw/zinc/36/37/25/906363725.db2.gz HKELPZOXEIHVKR-ABHNRTSZSA-N 1 2 397.556 3.922 20 30 GHEDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1cccc(N2CCCC2=O)c1 ZINC000181402857 906993308 /nfs/dbraw/zinc/99/33/08/906993308.db2.gz QACKVGYMUDDGPQ-OAHLLOKOSA-N 1 2 387.443 3.586 20 30 GHEDLO Cc1ccc2c(c1Br)C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C2 ZINC001174834946 907230923 /nfs/dbraw/zinc/23/09/23/907230923.db2.gz CHBIQEFBKLCFTL-UHFFFAOYSA-N 1 2 384.277 3.974 20 30 GHEDLO Cc1ccc2c(c1Br)C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)C2 ZINC001174834946 907230932 /nfs/dbraw/zinc/23/09/32/907230932.db2.gz CHBIQEFBKLCFTL-UHFFFAOYSA-N 1 2 384.277 3.974 20 30 GHEDLO CCc1nc([C@@H](C)[NH2+]CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cs1 ZINC000184720921 907646824 /nfs/dbraw/zinc/64/68/24/907646824.db2.gz VSFZVKUMEYXYEJ-CYBMUJFWSA-N 1 2 395.450 3.543 20 30 GHEDLO N#Cc1cc(F)cc(Nc2cc(I)c3[nH+]ccn3c2)c1 ZINC001175683833 907691950 /nfs/dbraw/zinc/69/19/50/907691950.db2.gz ZTDODDPHAXDOAT-UHFFFAOYSA-N 1 2 378.148 3.693 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186836465 907993367 /nfs/dbraw/zinc/99/33/67/907993367.db2.gz ULPTVXQIQGNICC-UHFFFAOYSA-N 1 2 378.563 3.501 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCSC2(CCOCC2)C1 ZINC000186836465 907993382 /nfs/dbraw/zinc/99/33/82/907993382.db2.gz ULPTVXQIQGNICC-UHFFFAOYSA-N 1 2 378.563 3.501 20 30 GHEDLO N#CCCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001176965619 908331500 /nfs/dbraw/zinc/33/15/00/908331500.db2.gz RBNKTVUFDNBLPC-SFHVURJKSA-N 1 2 382.895 3.894 20 30 GHEDLO N#Cc1cc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccco2)ccc1N1CCCCC1 ZINC001177621522 908674868 /nfs/dbraw/zinc/67/48/68/908674868.db2.gz DKNHTHLHFJBQDG-OAQYLSRUSA-N 1 2 378.476 3.745 20 30 GHEDLO N#Cc1cc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccco2)ccc1N1CCCCC1 ZINC001177621522 908674872 /nfs/dbraw/zinc/67/48/72/908674872.db2.gz DKNHTHLHFJBQDG-OAQYLSRUSA-N 1 2 378.476 3.745 20 30 GHEDLO C=C(C)COc1cc(C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2ccccc2)ccc1OC ZINC000246838943 910698910 /nfs/dbraw/zinc/69/89/10/910698910.db2.gz RVPPVNYMKVQOFW-FGZHOGPDSA-N 1 2 397.515 3.975 20 30 GHEDLO C=C(C)COc1cc(C[N@H+]2CCOC[C@H]2C[C@@H](O)c2ccccc2)ccc1OC ZINC000246838943 910698929 /nfs/dbraw/zinc/69/89/29/910698929.db2.gz RVPPVNYMKVQOFW-FGZHOGPDSA-N 1 2 397.515 3.975 20 30 GHEDLO C[C@H](C#N)OCCN1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000801934788 921646637 /nfs/dbraw/zinc/64/66/37/921646637.db2.gz QZTBHHIBCJDLTA-GCJKJVERSA-N 1 2 383.923 3.976 20 30 GHEDLO CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@@]12CCN(CCCC#N)C2=O ZINC001275613251 915311971 /nfs/dbraw/zinc/31/19/71/915311971.db2.gz WLGSEOKUGMQEPG-FQEVSTJZSA-N 1 2 375.900 3.609 20 30 GHEDLO CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@@]12CCN(CCCC#N)C2=O ZINC001275613251 915311990 /nfs/dbraw/zinc/31/19/90/915311990.db2.gz WLGSEOKUGMQEPG-FQEVSTJZSA-N 1 2 375.900 3.609 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000796384721 915362541 /nfs/dbraw/zinc/36/25/41/915362541.db2.gz XVDPYWTYYACZJJ-LJQANCHMSA-N 1 2 395.503 3.794 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000796384721 915362559 /nfs/dbraw/zinc/36/25/59/915362559.db2.gz XVDPYWTYYACZJJ-LJQANCHMSA-N 1 2 395.503 3.794 20 30 GHEDLO Cc1[nH+]c[nH]c1CSCCNC(=O)c1cc(F)c(Cl)c(C#N)c1Cl ZINC001189846848 916976735 /nfs/dbraw/zinc/97/67/35/916976735.db2.gz OCMAJZZRQCQRMV-UHFFFAOYSA-N 1 2 387.267 3.699 20 30 GHEDLO C=CC[N@@H+](Cc1cc(Br)ccc1F)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC001190752603 917547664 /nfs/dbraw/zinc/54/76/64/917547664.db2.gz MCTWIVKCUULMQU-OAHLLOKOSA-N 1 2 383.261 3.559 20 30 GHEDLO C=CC[N@H+](Cc1cc(Br)ccc1F)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC001190752603 917547669 /nfs/dbraw/zinc/54/76/69/917547669.db2.gz MCTWIVKCUULMQU-OAHLLOKOSA-N 1 2 383.261 3.559 20 30 GHEDLO N#Cc1ccccc1COc1cccc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000362976748 917578293 /nfs/dbraw/zinc/57/82/93/917578293.db2.gz ZVXLTVKECOKFTA-LJQANCHMSA-N 1 2 386.455 3.880 20 30 GHEDLO C=CC[C@@H](C(=O)OC)[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 ZINC001190847562 917597699 /nfs/dbraw/zinc/59/76/99/917597699.db2.gz PGTRXZXQMPMFPO-FQEVSTJZSA-N 1 2 397.450 3.946 20 30 GHEDLO C=CC[C@@H](C(=O)OC)[N@H+]1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 ZINC001190847562 917597707 /nfs/dbraw/zinc/59/77/07/917597707.db2.gz PGTRXZXQMPMFPO-FQEVSTJZSA-N 1 2 397.450 3.946 20 30 GHEDLO C=CCC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2noc(C)n2)CC1)c1ccccc1 ZINC000364713725 919893848 /nfs/dbraw/zinc/89/38/48/919893848.db2.gz GXEQEGAYXHDGLQ-NHCUHLMSSA-N 1 2 396.535 3.941 20 30 GHEDLO C=CCC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2noc(C)n2)CC1)c1ccccc1 ZINC000364713725 919893861 /nfs/dbraw/zinc/89/38/61/919893861.db2.gz GXEQEGAYXHDGLQ-NHCUHLMSSA-N 1 2 396.535 3.941 20 30 GHEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cn(CCCC#N)c3ccccc23)C1 ZINC000365525552 920907056 /nfs/dbraw/zinc/90/70/56/920907056.db2.gz WBQUANSCOMVZES-KRWDZBQOSA-N 1 2 375.476 3.698 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@H+](Cc3csc(C(F)(F)F)n3)CC2)C1=O ZINC001276120549 925733045 /nfs/dbraw/zinc/73/30/45/925733045.db2.gz BDUNNZKJBHHPFJ-QGZVFWFLSA-N 1 2 387.471 3.943 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+](Cc3csc(C(F)(F)F)n3)CC2)C1=O ZINC001276120549 925733051 /nfs/dbraw/zinc/73/30/51/925733051.db2.gz BDUNNZKJBHHPFJ-QGZVFWFLSA-N 1 2 387.471 3.943 20 30 GHEDLO CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Br)ccc1C#N ZINC001276120946 925735219 /nfs/dbraw/zinc/73/52/19/925735219.db2.gz FDSKQHLLFRHOOR-MORSLUCNSA-N 1 2 390.325 3.685 20 30 GHEDLO CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(Br)ccc1C#N ZINC001276120946 925735226 /nfs/dbraw/zinc/73/52/26/925735226.db2.gz FDSKQHLLFRHOOR-MORSLUCNSA-N 1 2 390.325 3.685 20 30 GHEDLO C#CCCOc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000827558085 925806427 /nfs/dbraw/zinc/80/64/27/925806427.db2.gz USVNXAYWOCWIOR-SFTDATJTSA-N 1 2 384.426 3.542 20 30 GHEDLO C#CCCOc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000827558085 925806431 /nfs/dbraw/zinc/80/64/31/925806431.db2.gz USVNXAYWOCWIOR-SFTDATJTSA-N 1 2 384.426 3.542 20 30 GHEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000682782534 926246220 /nfs/dbraw/zinc/24/62/20/926246220.db2.gz INTYEOWSGBMHDO-UHFFFAOYSA-N 1 2 391.515 3.609 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000373960787 926595107 /nfs/dbraw/zinc/59/51/07/926595107.db2.gz WTTSWTLKHTUNES-DLBZAZTESA-N 1 2 395.532 3.546 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000373960787 926595112 /nfs/dbraw/zinc/59/51/12/926595112.db2.gz WTTSWTLKHTUNES-DLBZAZTESA-N 1 2 395.532 3.546 20 30 GHEDLO CCCCCCCCC/C=C\C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000726883811 926908611 /nfs/dbraw/zinc/90/86/11/926908611.db2.gz LEZCEZGMBJNKSJ-QXMHVHEDSA-N 1 2 398.555 3.709 20 30 GHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000412079354 927079416 /nfs/dbraw/zinc/07/94/16/927079416.db2.gz UYLMAQIDWSTYHP-OXQOHEQNSA-N 1 2 386.492 3.606 20 30 GHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000412079354 927079421 /nfs/dbraw/zinc/07/94/21/927079421.db2.gz UYLMAQIDWSTYHP-OXQOHEQNSA-N 1 2 386.492 3.606 20 30 GHEDLO C=CCn1c(-c2ccccc2C)nn(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1=S ZINC000749799540 927279793 /nfs/dbraw/zinc/27/97/93/927279793.db2.gz XMSSLVQLDRLPJG-QZTJIDSGSA-N 1 2 384.549 3.891 20 30 GHEDLO C=CCn1c(-c2ccccc2C)nn(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1=S ZINC000749799540 927279806 /nfs/dbraw/zinc/27/98/06/927279806.db2.gz XMSSLVQLDRLPJG-QZTJIDSGSA-N 1 2 384.549 3.891 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c1=S ZINC000749799919 927280329 /nfs/dbraw/zinc/28/03/29/927280329.db2.gz PNJMOKLMROVLKG-IRXDYDNUSA-N 1 2 388.512 3.722 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)c1=S ZINC000749799919 927280340 /nfs/dbraw/zinc/28/03/40/927280340.db2.gz PNJMOKLMROVLKG-IRXDYDNUSA-N 1 2 388.512 3.722 20 30 GHEDLO C=CCn1c([C@H]2COc3ccccc3O2)nn(C[N@H+]2C[C@H](C)[C@H](C)C2)c1=S ZINC000751929652 928484865 /nfs/dbraw/zinc/48/48/65/928484865.db2.gz QUEMFBOTNMYAJP-RVKKMQEKSA-N 1 2 386.521 3.658 20 30 GHEDLO C=CCn1c([C@H]2COc3ccccc3O2)nn(C[N@@H+]2C[C@H](C)[C@H](C)C2)c1=S ZINC000751929652 928484872 /nfs/dbraw/zinc/48/48/72/928484872.db2.gz QUEMFBOTNMYAJP-RVKKMQEKSA-N 1 2 386.521 3.658 20 30 GHEDLO O=C(Nc1cccc(C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)c1)c1ccccc1Cl ZINC000753935791 929600961 /nfs/dbraw/zinc/60/09/61/929600961.db2.gz PUJDEXIZBFWEAQ-KDURUIRLSA-N 1 2 395.894 3.786 20 30 GHEDLO COc1cc(C#N)ccc1NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000546005218 929766594 /nfs/dbraw/zinc/76/65/94/929766594.db2.gz GSCLBXAZRFCEAK-PZJWPPBQSA-N 1 2 387.443 3.814 20 30 GHEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000469468042 929919844 /nfs/dbraw/zinc/91/98/44/929919844.db2.gz FAKFQDYVJXRKNA-UHFFFAOYSA-N 1 2 375.444 3.791 20 30 GHEDLO N#CCCN(CCC#N)C(=O)C[NH2+][C@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000470538073 930696468 /nfs/dbraw/zinc/69/64/68/930696468.db2.gz RPTCGYWMLKVZAK-OAQYLSRUSA-N 1 2 398.869 3.814 20 30 GHEDLO C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000470634136 930771197 /nfs/dbraw/zinc/77/11/97/930771197.db2.gz GOIUVKDNDBRGFZ-UHFFFAOYSA-N 1 2 376.416 3.999 20 30 GHEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCC23CCC3)c1C#N ZINC000471044999 931114635 /nfs/dbraw/zinc/11/46/35/931114635.db2.gz WJAMTBOHTIJOLA-UHFFFAOYSA-N 1 2 380.467 3.731 20 30 GHEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+]2CCC23CCC3)c1C#N ZINC000471044999 931114639 /nfs/dbraw/zinc/11/46/39/931114639.db2.gz WJAMTBOHTIJOLA-UHFFFAOYSA-N 1 2 380.467 3.731 20 30 GHEDLO CSCc1cccc(CN2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])c1 ZINC000782197629 931117441 /nfs/dbraw/zinc/11/74/41/931117441.db2.gz UWMDOGOWVUXOEY-UHFFFAOYSA-N 1 2 392.528 3.709 20 30 GHEDLO COC(=O)c1ccc(N[NH+]=Cc2ccc(N3CCOCC3)c(F)c2)cc1Cl ZINC000782237252 931133318 /nfs/dbraw/zinc/13/33/18/931133318.db2.gz ATOUUPFEQLRPPC-UHFFFAOYSA-N 1 2 391.830 3.548 20 30 GHEDLO Cc1cc(Cl)ccc1NC(=O)CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782949855 931372599 /nfs/dbraw/zinc/37/25/99/931372599.db2.gz OJVYYTYGIKBXCM-UHFFFAOYSA-N 1 2 396.672 3.687 20 30 GHEDLO COCCOc1ccc(C(=O)/C=C/c2cc(-n3cc[nH+]c3)cs2)cc1OC ZINC000783708313 931624470 /nfs/dbraw/zinc/62/44/70/931624470.db2.gz QNXXLBYUQPDBEY-SNAWJCMRSA-N 1 2 384.457 3.864 20 30 GHEDLO c1cn(-c2csc(CN=Nc3ncnc4c3cnn4-c3ccccc3)c2)c[nH+]1 ZINC000783828504 931673417 /nfs/dbraw/zinc/67/34/17/931673417.db2.gz UOFHCBUYYDXELX-UHFFFAOYSA-N 1 2 386.444 3.509 20 30 GHEDLO CC(C)C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)CSCC#N ZINC000558161849 931865175 /nfs/dbraw/zinc/86/51/75/931865175.db2.gz CVOPRGJKJCQXJI-SFHVURJKSA-N 1 2 379.957 3.656 20 30 GHEDLO CC(C)C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)CSCC#N ZINC000558161849 931865180 /nfs/dbraw/zinc/86/51/80/931865180.db2.gz CVOPRGJKJCQXJI-SFHVURJKSA-N 1 2 379.957 3.656 20 30 GHEDLO C[C@@H]([NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)c1csnn1 ZINC000926590553 932238587 /nfs/dbraw/zinc/23/85/87/932238587.db2.gz SDMVFFJYUXGDLQ-UONOGXRCSA-N 1 2 379.530 3.508 20 30 GHEDLO C[C@H]([NH2+]C[C@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1)c1cccc(C#N)c1O ZINC000926996456 932375347 /nfs/dbraw/zinc/37/53/47/932375347.db2.gz VFDQPKXNEZNDIY-GCQMKBQMSA-N 1 2 386.492 3.584 20 30 GHEDLO Cc1cc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc(C)c1OC(F)F ZINC000798275772 932588825 /nfs/dbraw/zinc/58/88/25/932588825.db2.gz UJLJTHQYEFBZMO-HZPDHXFCSA-N 1 2 395.450 3.754 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@@](C)(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)C1 ZINC000798945179 932830413 /nfs/dbraw/zinc/83/04/13/932830413.db2.gz IIUZLULQSNJQSH-KNQAVFIVSA-N 1 2 385.508 3.579 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@@](C)(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)C1 ZINC000798945179 932830420 /nfs/dbraw/zinc/83/04/20/932830420.db2.gz IIUZLULQSNJQSH-KNQAVFIVSA-N 1 2 385.508 3.579 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000799194886 932908865 /nfs/dbraw/zinc/90/88/65/932908865.db2.gz ABFVAQHHDZKSJB-SJORKVTESA-N 1 2 380.517 3.761 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000799194886 932908872 /nfs/dbraw/zinc/90/88/72/932908872.db2.gz ABFVAQHHDZKSJB-SJORKVTESA-N 1 2 380.517 3.761 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(c2snc(Cl)c2C#N)[C@H](C)C1 ZINC000799327329 932951863 /nfs/dbraw/zinc/95/18/63/932951863.db2.gz OUXRFJSUBXWDAA-CYBMUJFWSA-N 1 2 376.913 3.778 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(c2snc(Cl)c2C#N)[C@H](C)C1 ZINC000799327329 932951868 /nfs/dbraw/zinc/95/18/68/932951868.db2.gz OUXRFJSUBXWDAA-CYBMUJFWSA-N 1 2 376.913 3.778 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc(C4CC4)nc4ccccc43)CC2)cc1 ZINC000035683616 934127725 /nfs/dbraw/zinc/12/77/25/934127725.db2.gz XFPPCKFNDZGLPJ-UHFFFAOYSA-N 1 2 396.494 3.942 20 30 GHEDLO N#Cc1cc(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)nc2ccccc12 ZINC000561838497 934495186 /nfs/dbraw/zinc/49/51/86/934495186.db2.gz AWCXGTJRXRKURR-NRFANRHFSA-N 1 2 388.496 3.835 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@@H](c2cccc(F)c2)C1 ZINC001121801449 934767927 /nfs/dbraw/zinc/76/79/27/934767927.db2.gz QDTGQAKKSFREAP-LJQANCHMSA-N 1 2 396.514 3.524 20 30 GHEDLO C=C(C)CN(CC)c1nnc([C@@H](CC(C)C)n2cc[nH+]c2)n1Cc1cc(C)on1 ZINC001123863113 935312091 /nfs/dbraw/zinc/31/20/91/935312091.db2.gz OIMLALOQYOZSKW-LJQANCHMSA-N 1 2 397.527 3.857 20 30 GHEDLO N#Cc1c(Br)cccc1OCC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001124773525 935464247 /nfs/dbraw/zinc/46/42/47/935464247.db2.gz ZOQLXUTXHHQPCQ-UHFFFAOYSA-N 1 2 397.232 3.524 20 30 GHEDLO COc1ccc(C[NH+]2CC3(C2)CCCN(C(=O)OC(C)(C)C)CC3)c(C#N)c1 ZINC001137704511 935734589 /nfs/dbraw/zinc/73/45/89/935734589.db2.gz JFARZZXCBMGOPX-UHFFFAOYSA-N 1 2 385.508 3.790 20 30 GHEDLO N#Cc1cccc(N2C[C@@]3(CC[N@@H+](Cc4cc(F)c(F)cc4F)C3)CC2=O)c1 ZINC001137889507 935848296 /nfs/dbraw/zinc/84/82/96/935848296.db2.gz DPQGCJAVHMWJIS-NRFANRHFSA-N 1 2 385.389 3.605 20 30 GHEDLO N#Cc1cccc(N2C[C@@]3(CC[N@H+](Cc4cc(F)c(F)cc4F)C3)CC2=O)c1 ZINC001137889507 935848300 /nfs/dbraw/zinc/84/83/00/935848300.db2.gz DPQGCJAVHMWJIS-NRFANRHFSA-N 1 2 385.389 3.605 20 30 GHEDLO CCc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(C#N)cc3OC)CC2)s1 ZINC000546710289 1016722733 /nfs/dbraw/zinc/72/27/33/1016722733.db2.gz ZMAFFFIQRVSWIX-UHFFFAOYSA-N 1 2 384.505 3.540 20 30 GHEDLO C=C[C@@H](COC)NC(=O)N1CC[N@H+](Cc2ccc(Cl)cc2)C[C@H]1CC(C)C ZINC001226866204 1032165536 /nfs/dbraw/zinc/16/55/36/1032165536.db2.gz HUIWXKAURDKPLQ-VQTJNVASSA-N 1 2 393.959 3.783 20 30 GHEDLO C=C[C@@H](COC)NC(=O)N1CC[N@@H+](Cc2ccc(Cl)cc2)C[C@H]1CC(C)C ZINC001226866204 1032165543 /nfs/dbraw/zinc/16/55/43/1032165543.db2.gz HUIWXKAURDKPLQ-VQTJNVASSA-N 1 2 393.959 3.783 20 30 GHEDLO CC[N@@H+]1CCC[C@@H](Oc2c(Br)cc(C#N)cc2Br)C1 ZINC001227345373 1032383825 /nfs/dbraw/zinc/38/38/25/1032383825.db2.gz OOUNJGANKQMAEX-LLVKDONJSA-N 1 2 388.103 3.946 20 30 GHEDLO CC[N@H+]1CCC[C@@H](Oc2c(Br)cc(C#N)cc2Br)C1 ZINC001227345373 1032383834 /nfs/dbraw/zinc/38/38/34/1032383834.db2.gz OOUNJGANKQMAEX-LLVKDONJSA-N 1 2 388.103 3.946 20 30 GHEDLO Cc1nn(-c2ccc(C)cc2)cc1C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC001206654587 1032470949 /nfs/dbraw/zinc/47/09/49/1032470949.db2.gz BHEWMMJMZUILGJ-UHFFFAOYSA-N 1 2 377.517 3.745 20 30 GHEDLO C[C@@H]([NH2+][C@@H](c1ncccn1)C1CC1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000932360920 1018223662 /nfs/dbraw/zinc/22/36/62/1018223662.db2.gz IMBBDLQNNCRUAX-FZKQIMNGSA-N 1 2 395.532 3.747 20 30 GHEDLO COc1ncccc1C[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932945143 1018776976 /nfs/dbraw/zinc/77/69/76/1018776976.db2.gz RQMQGLAATYMZSU-UWVGGRQHSA-N 1 2 390.274 3.693 20 30 GHEDLO C=CCCc1ccccc1NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000563793077 1018959964 /nfs/dbraw/zinc/95/99/64/1018959964.db2.gz XZWSMUPFUISJIC-NRFANRHFSA-N 1 2 394.519 3.775 20 30 GHEDLO C=CCCc1ccccc1NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000563793077 1018959977 /nfs/dbraw/zinc/95/99/77/1018959977.db2.gz XZWSMUPFUISJIC-NRFANRHFSA-N 1 2 394.519 3.775 20 30 GHEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000576738018 1020057692 /nfs/dbraw/zinc/05/76/92/1020057692.db2.gz RLMZZIOQABYVQY-UHFFFAOYSA-N 1 2 382.851 3.910 20 30 GHEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000576738018 1020057704 /nfs/dbraw/zinc/05/77/04/1020057704.db2.gz RLMZZIOQABYVQY-UHFFFAOYSA-N 1 2 382.851 3.910 20 30 GHEDLO N#Cc1cccc(C2CC[NH+](Cc3cnc4cnc(Br)cn34)CC2)c1 ZINC001140240032 1021215668 /nfs/dbraw/zinc/21/56/68/1021215668.db2.gz NXUUWGGSEQMKMU-UHFFFAOYSA-N 1 2 396.292 3.743 20 30 GHEDLO Cn1c[nH+]c2c1CCN(Cc1cn(C(=O)OC(C)(C)C)c3ccc(C#N)cc13)C2 ZINC001140441266 1021716481 /nfs/dbraw/zinc/71/64/81/1021716481.db2.gz MDMHLQPXOGSBED-UHFFFAOYSA-N 1 2 391.475 3.588 20 30 GHEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccc(OC(F)(F)F)c(Cl)c3)CC2)c1 ZINC001140558836 1021967923 /nfs/dbraw/zinc/96/79/23/1021967923.db2.gz HVKBWEPBEHIOGA-UHFFFAOYSA-N 1 2 396.800 3.827 20 30 GHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+]2CC[C@H](C3CCOCC3)C2)c1=S ZINC000754800751 1022904076 /nfs/dbraw/zinc/90/40/76/1022904076.db2.gz WMNPVMHINXJPCU-IBGZPJMESA-N 1 2 399.564 3.758 20 30 GHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+]2CC[C@H](C3CCOCC3)C2)c1=S ZINC000754800751 1022904081 /nfs/dbraw/zinc/90/40/81/1022904081.db2.gz WMNPVMHINXJPCU-IBGZPJMESA-N 1 2 399.564 3.758 20 30 GHEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000756069800 1023508258 /nfs/dbraw/zinc/50/82/58/1023508258.db2.gz GEVOHKOASIGPPC-QGZVFWFLSA-N 1 2 391.500 3.719 20 30 GHEDLO CCOc1ccccc1N1CC[NH+](Cc2sc(N)c(C#N)c2Cl)CC1 ZINC001141110128 1023522978 /nfs/dbraw/zinc/52/29/78/1023522978.db2.gz YYTJIQSZQOFVBN-UHFFFAOYSA-N 1 2 376.913 3.576 20 30 GHEDLO COc1ccc(C(=O)C2CC[NH+](Cc3sc(N)c(C#N)c3Cl)CC2)cc1 ZINC001141114080 1023530310 /nfs/dbraw/zinc/53/03/10/1023530310.db2.gz DCPQUTAHCMCDBI-UHFFFAOYSA-N 1 2 389.908 3.959 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c1=S ZINC000756892870 1023849002 /nfs/dbraw/zinc/84/90/02/1023849002.db2.gz YRXLZDYPYWCWCU-WMZOPIPTSA-N 1 2 388.512 3.865 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+]2CCC[C@H]3COCC[C@@H]32)c1=S ZINC000756892870 1023849006 /nfs/dbraw/zinc/84/90/06/1023849006.db2.gz YRXLZDYPYWCWCU-WMZOPIPTSA-N 1 2 388.512 3.865 20 30 GHEDLO COC(=O)c1ccc2c(C[NH+]3CC(CC#N)C3)cn(C(=O)OC(C)(C)C)c2c1 ZINC001141245254 1024254692 /nfs/dbraw/zinc/25/46/92/1024254692.db2.gz GVKPRCIJLWVWJD-UHFFFAOYSA-N 1 2 383.448 3.557 20 30 GHEDLO COC(=O)C1(C#N)CC[NH+]([C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000831699097 1024754595 /nfs/dbraw/zinc/75/45/95/1024754595.db2.gz HJJOAPXQSJYWLN-MRXNPFEDSA-N 1 2 377.282 3.605 20 30 GHEDLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)c1nc(C#N)ccc1NC(=O)C(C)(C)C ZINC001156787808 1033241104 /nfs/dbraw/zinc/24/11/04/1033241104.db2.gz ACGVRTMCIYQXNI-UHFFFAOYSA-N 1 2 388.475 3.760 20 30 GHEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1cc(Cl)cc(OC)c1OC)CCO2 ZINC001138745728 1025287198 /nfs/dbraw/zinc/28/71/98/1025287198.db2.gz VZHCXNCJGMZLQE-LAUBAEHRSA-N 1 2 395.927 3.931 20 30 GHEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1cc(Cl)cc(OC)c1OC)CCO2 ZINC001138745728 1025287201 /nfs/dbraw/zinc/28/72/01/1025287201.db2.gz VZHCXNCJGMZLQE-LAUBAEHRSA-N 1 2 395.927 3.931 20 30 GHEDLO C=CCOc1ccccc1C[N@@H+]1CCC(F)(F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001139030817 1025798649 /nfs/dbraw/zinc/79/86/49/1025798649.db2.gz MZBFRTXRBKXUDJ-QGZVFWFLSA-N 1 2 382.451 3.986 20 30 GHEDLO C=CCOc1ccccc1C[N@H+]1CCC(F)(F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001139030817 1025798666 /nfs/dbraw/zinc/79/86/66/1025798666.db2.gz MZBFRTXRBKXUDJ-QGZVFWFLSA-N 1 2 382.451 3.986 20 30 GHEDLO Cc1ccn2c(CNc3cc(/C=N/[S@](=O)C(C)(C)C)cc(C)[nH+]3)cnc2c1 ZINC001162819655 1025930016 /nfs/dbraw/zinc/93/00/16/1025930016.db2.gz IJMXNPHDLLQKEO-NFZXTBNOSA-N 1 2 383.521 3.839 20 30 GHEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000839668974 1026187743 /nfs/dbraw/zinc/18/77/43/1026187743.db2.gz ALVPUCXTCBHKDX-YLJYHZDGSA-N 1 2 386.492 3.606 20 30 GHEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000839668974 1026187758 /nfs/dbraw/zinc/18/77/58/1026187758.db2.gz ALVPUCXTCBHKDX-YLJYHZDGSA-N 1 2 386.492 3.606 20 30 GHEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3cscc3Br)C2)CC1 ZINC001139348418 1026217106 /nfs/dbraw/zinc/21/71/06/1026217106.db2.gz QSFGTYCMPDHDRH-UHFFFAOYSA-N 1 2 385.327 3.731 20 30 GHEDLO CC(=O)O[C@@H]1Cc2ccc([NH+]=C(NO)c3ccc(OC(F)(F)F)cc3)cc2C1 ZINC001163766100 1026309503 /nfs/dbraw/zinc/30/95/03/1026309503.db2.gz UCMJLRJSLXHLPT-QGZVFWFLSA-N 1 2 394.349 3.673 20 30 GHEDLO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cn1nc2c(cc1=O)Cc1ccccc1-2 ZINC000839981758 1026389833 /nfs/dbraw/zinc/38/98/33/1026389833.db2.gz XXQYJLIELNZHTP-UHFFFAOYSA-N 1 2 384.483 3.802 20 30 GHEDLO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cn1nc2c(cc1=O)Cc1ccccc1-2 ZINC000839981758 1026389844 /nfs/dbraw/zinc/38/98/44/1026389844.db2.gz XXQYJLIELNZHTP-UHFFFAOYSA-N 1 2 384.483 3.802 20 30 GHEDLO N#Cc1ccc(F)c(C[N@@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)c1 ZINC001139648143 1026509499 /nfs/dbraw/zinc/50/94/99/1026509499.db2.gz YCVLRVGANNNWLJ-SIKLNZKXSA-N 1 2 381.451 3.542 20 30 GHEDLO N#Cc1ccc(F)c(C[N@H+]2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)c1 ZINC001139648143 1026509503 /nfs/dbraw/zinc/50/95/03/1026509503.db2.gz YCVLRVGANNNWLJ-SIKLNZKXSA-N 1 2 381.451 3.542 20 30 GHEDLO N#Cc1c(Cl)cccc1C[N@@H+]1CC[C@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001139689947 1026542043 /nfs/dbraw/zinc/54/20/43/1026542043.db2.gz YWRCDGPNCNUFQA-DUXKGJEZSA-N 1 2 383.879 3.808 20 30 GHEDLO N#Cc1c(Cl)cccc1C[N@H+]1CC[C@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001139689947 1026542049 /nfs/dbraw/zinc/54/20/49/1026542049.db2.gz YWRCDGPNCNUFQA-DUXKGJEZSA-N 1 2 383.879 3.808 20 30 GHEDLO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2C[C@H](F)C[C@@H]2C#N)n1 ZINC001165193363 1026656898 /nfs/dbraw/zinc/65/68/98/1026656898.db2.gz QVOIUBNYOOCOPG-HUUCEWRRSA-N 1 2 381.480 3.860 20 30 GHEDLO C=CCN1C(=O)CC[C@]12CCCN(c1cc(N3CCC[C@@H](C)C3)[nH+]cn1)[C@H]2CC ZINC001165598060 1026771932 /nfs/dbraw/zinc/77/19/32/1026771932.db2.gz OMPGCXBDSMMTGU-MSYCTHLASA-N 1 2 397.567 3.639 20 30 GHEDLO C=CCN1C(=O)CC[C@]12CCCN(c1cc(N3CCC[C@@H](C)C3)nc[nH+]1)[C@H]2CC ZINC001165598060 1026771942 /nfs/dbraw/zinc/77/19/42/1026771942.db2.gz OMPGCXBDSMMTGU-MSYCTHLASA-N 1 2 397.567 3.639 20 30 GHEDLO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(Br)cnc1F)CC2 ZINC001140006157 1026792666 /nfs/dbraw/zinc/79/26/66/1026792666.db2.gz OIFXFVFCUDMQJP-SFHVURJKSA-N 1 2 396.304 3.516 20 30 GHEDLO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1cc(Br)cnc1F)CC2 ZINC001140006157 1026792674 /nfs/dbraw/zinc/79/26/74/1026792674.db2.gz OIFXFVFCUDMQJP-SFHVURJKSA-N 1 2 396.304 3.516 20 30 GHEDLO CC(C)(C)OC(=O)N[C@H]1C[N@H+](Cc2c[nH]c3ccc(C#N)cc23)CCC1(F)F ZINC001140116652 1026898927 /nfs/dbraw/zinc/89/89/27/1026898927.db2.gz CPBTZPNZGPKXKW-KRWDZBQOSA-N 1 2 390.434 3.774 20 30 GHEDLO CC(C)(C)OC(=O)N[C@H]1C[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)CCC1(F)F ZINC001140116652 1026898931 /nfs/dbraw/zinc/89/89/31/1026898931.db2.gz CPBTZPNZGPKXKW-KRWDZBQOSA-N 1 2 390.434 3.774 20 30 GHEDLO Cn1nc(-c2ccccc2)c2c1C[C@@H]1CN(c3[nH+]ccc4[nH]cc(C#N)c43)C[C@H]21 ZINC001166242347 1026951394 /nfs/dbraw/zinc/95/13/94/1026951394.db2.gz RNCXPHKWSPDGIV-WBVHZDCISA-N 1 2 380.455 3.611 20 30 GHEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1=S ZINC000840114109 1027221858 /nfs/dbraw/zinc/22/18/58/1027221858.db2.gz DZLUOECEECSLDZ-QXAKKESOSA-N 1 2 399.564 3.635 20 30 GHEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1=S ZINC000840114109 1027221869 /nfs/dbraw/zinc/22/18/69/1027221869.db2.gz DZLUOECEECSLDZ-QXAKKESOSA-N 1 2 399.564 3.635 20 30 GHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)c1=S ZINC000840119701 1027238401 /nfs/dbraw/zinc/23/84/01/1027238401.db2.gz INWSDQORBWYKEW-GUDVDZBRSA-N 1 2 399.564 3.635 20 30 GHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)c1=S ZINC000840119701 1027238423 /nfs/dbraw/zinc/23/84/23/1027238423.db2.gz INWSDQORBWYKEW-GUDVDZBRSA-N 1 2 399.564 3.635 20 30 GHEDLO Cc1cc(C#N)ccc1Nc1cncnc1[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001210374578 1027476526 /nfs/dbraw/zinc/47/65/26/1027476526.db2.gz NQSPXSBKIJIMSC-JOCHJYFZSA-N 1 2 385.471 3.974 20 30 GHEDLO Cc1cc(C#N)ccc1Nc1cncnc1[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001210374578 1027476534 /nfs/dbraw/zinc/47/65/34/1027476534.db2.gz NQSPXSBKIJIMSC-JOCHJYFZSA-N 1 2 385.471 3.974 20 30 GHEDLO CCOC(=O)CCCc1[nH+]c2cc(Nc3ccc(O)c(C#N)c3)ccc2n1C ZINC001210532429 1027547730 /nfs/dbraw/zinc/54/77/30/1027547730.db2.gz JDVVIYOZJFBVAW-UHFFFAOYSA-N 1 2 378.432 3.780 20 30 GHEDLO CC#Cc1cncc(Nc2cncnc2[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC001211053891 1027769542 /nfs/dbraw/zinc/76/95/42/1027769542.db2.gz FFQIRRHBYXJXAE-QFIPXVFZSA-N 1 2 385.471 3.560 20 30 GHEDLO CC#Cc1cncc(Nc2cncnc2[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC001211053891 1027769550 /nfs/dbraw/zinc/76/95/50/1027769550.db2.gz FFQIRRHBYXJXAE-QFIPXVFZSA-N 1 2 385.471 3.560 20 30 GHEDLO C=C(C)CN1C[C@@]2(F)C[N@H+](Cc3c(C)sc4ccccc43)C[C@@]2(F)C1=O ZINC001276710288 1028658646 /nfs/dbraw/zinc/65/86/46/1028658646.db2.gz SJRFICRQQWKKLD-VQTJNVASSA-N 1 2 376.472 3.860 20 30 GHEDLO C=C(C)CN1C[C@@]2(F)C[N@@H+](Cc3c(C)sc4ccccc43)C[C@@]2(F)C1=O ZINC001276710288 1028658663 /nfs/dbraw/zinc/65/86/63/1028658663.db2.gz SJRFICRQQWKKLD-VQTJNVASSA-N 1 2 376.472 3.860 20 30 GHEDLO C#CC[C@H]1CCC[N@@H+](Cn2nc(COc3ccc(Cl)cc3)n(C)c2=S)C1 ZINC000842627048 1029428749 /nfs/dbraw/zinc/42/87/49/1029428749.db2.gz AZHUNADEASTFOV-HNNXBMFYSA-N 1 2 390.940 3.876 20 30 GHEDLO C#CC[C@H]1CCC[N@H+](Cn2nc(COc3ccc(Cl)cc3)n(C)c2=S)C1 ZINC000842627048 1029428752 /nfs/dbraw/zinc/42/87/52/1029428752.db2.gz AZHUNADEASTFOV-HNNXBMFYSA-N 1 2 390.940 3.876 20 30 GHEDLO C[NH+]1CCN(c2ccc(-c3nc(-c4cccc(C#N)c4)no3)cc2Cl)CC1 ZINC001217009971 1030084023 /nfs/dbraw/zinc/08/40/23/1030084023.db2.gz VLEUQNIWTPPRDC-UHFFFAOYSA-N 1 2 379.851 3.680 20 30 GHEDLO Cc1ccc(N2CCC[C@@H](O/C(=N\O)c3ccccc3Br)C2)[nH+]c1 ZINC001223885877 1030789262 /nfs/dbraw/zinc/78/92/62/1030789262.db2.gz OXNQYYDJVVEGRP-WVCJAJDESA-N 1 2 390.281 3.974 20 30 GHEDLO COc1ccc(/C=C/C(=O)c2cccc(O[C@@H]3C[NH2+]CC3(F)F)c2)cc1OC ZINC001218235526 1030843839 /nfs/dbraw/zinc/84/38/39/1030843839.db2.gz LHNRNPZWMOMBEQ-CPSHHHPTSA-N 1 2 389.398 3.586 20 30 GHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)C(=O)/C=C/c2ccc(F)cc2)c(C)c1 ZINC001151918060 1031049311 /nfs/dbraw/zinc/04/93/11/1031049311.db2.gz NYGDOPKDIMYZKZ-ISPXXFMDSA-N 1 2 391.446 3.779 20 30 GHEDLO COC(=O)[C@H]1CCC[C@H](Oc2nc(C)c(-c3ccc4[nH+]ccn4c3)cc2C#N)C1 ZINC001229768973 1033699345 /nfs/dbraw/zinc/69/93/45/1033699345.db2.gz PNDFLZDQSLXTRM-YJBOKZPZSA-N 1 2 390.443 3.687 20 30 GHEDLO C#C[C@H](NC(=O)N1CC[NH+]([C@H](CC)c2ccc(F)cc2)CC1)c1ccccc1 ZINC001230489911 1034085857 /nfs/dbraw/zinc/08/58/57/1034085857.db2.gz ZBVLICRUUCLINM-FCHUYYIVSA-N 1 2 379.479 3.979 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC2(CC(C[N@@H+]3CC[C@H]4SC(=O)C=C4C3)C2)CC1 ZINC001207803594 1034583682 /nfs/dbraw/zinc/58/36/82/1034583682.db2.gz BDZOFUDQZQFFQS-QGZVFWFLSA-N 1 2 392.565 3.688 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC2(CC(C[N@H+]3CC[C@H]4SC(=O)C=C4C3)C2)CC1 ZINC001207803594 1034583688 /nfs/dbraw/zinc/58/36/88/1034583688.db2.gz BDZOFUDQZQFFQS-QGZVFWFLSA-N 1 2 392.565 3.688 20 30 GHEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3cc(F)cc(C#N)c3)CC2)c1 ZINC001208345995 1034865727 /nfs/dbraw/zinc/86/57/27/1034865727.db2.gz ITZLYTARHKPVMO-OAHLLOKOSA-N 1 2 382.439 3.617 20 30 GHEDLO N#Cc1cc(NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)ccc1C1CC1 ZINC001208589620 1034945576 /nfs/dbraw/zinc/94/55/76/1034945576.db2.gz ISNAIQWQCAWAMU-UHFFFAOYSA-N 1 2 390.487 3.664 20 30 GHEDLO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1nc(Br)ccc1F)C2 ZINC001231940059 1034999975 /nfs/dbraw/zinc/99/99/75/1034999975.db2.gz GHYFQTIPQIOYAK-WMZOPIPTSA-N 1 2 399.304 3.557 20 30 GHEDLO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1nc(Br)ccc1F)C2 ZINC001231940059 1034999978 /nfs/dbraw/zinc/99/99/78/1034999978.db2.gz GHYFQTIPQIOYAK-WMZOPIPTSA-N 1 2 399.304 3.557 20 30 GHEDLO C=CCN(CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1c(C)cccc1C)C(=O)OCC ZINC001209017285 1035152043 /nfs/dbraw/zinc/15/20/43/1035152043.db2.gz NSOUHOKKBJCIHK-LJQANCHMSA-N 1 2 387.524 3.741 20 30 GHEDLO C=CCN(CC[N@H+]1CCCC[C@@H]1C(=O)Nc1c(C)cccc1C)C(=O)OCC ZINC001209017285 1035152046 /nfs/dbraw/zinc/15/20/46/1035152046.db2.gz NSOUHOKKBJCIHK-LJQANCHMSA-N 1 2 387.524 3.741 20 30 GHEDLO C=CCN(CC[N@@H+]1CCCC[C@H]1C(=O)Nc1c(C)cccc1C)C(=O)OCC ZINC001209017277 1035152469 /nfs/dbraw/zinc/15/24/69/1035152469.db2.gz NSOUHOKKBJCIHK-IBGZPJMESA-N 1 2 387.524 3.741 20 30 GHEDLO C=CCN(CC[N@H+]1CCCC[C@H]1C(=O)Nc1c(C)cccc1C)C(=O)OCC ZINC001209017277 1035152471 /nfs/dbraw/zinc/15/24/71/1035152471.db2.gz NSOUHOKKBJCIHK-IBGZPJMESA-N 1 2 387.524 3.741 20 30 GHEDLO Cc1cc(C#N)cc(NCc2c[nH+]cn2Cc2ccccc2Br)n1 ZINC001161522102 1035249465 /nfs/dbraw/zinc/24/94/65/1035249465.db2.gz GDIFAGPXQJBQQN-UHFFFAOYSA-N 1 2 382.265 3.881 20 30 GHEDLO C=CCCCCCCC[N@H+]1CCc2c(nnn2C)[C@@H]1COCc1cccnc1 ZINC001209441916 1035275226 /nfs/dbraw/zinc/27/52/26/1035275226.db2.gz PSPAEAWSCUKCID-NRFANRHFSA-N 1 2 383.540 3.853 20 30 GHEDLO C=CCCCCCCC[N@@H+]1CCc2c(nnn2C)[C@@H]1COCc1cccnc1 ZINC001209441916 1035275228 /nfs/dbraw/zinc/27/52/28/1035275228.db2.gz PSPAEAWSCUKCID-NRFANRHFSA-N 1 2 383.540 3.853 20 30 GHEDLO C=CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@]2(CC)c1cccc(Nc2cccc3[nH+]c[nH]c32)c1 ZINC001213034461 1035282760 /nfs/dbraw/zinc/28/27/60/1035282760.db2.gz LMRZNJDWHNGOLR-BBIADKPPSA-N 1 2 386.455 3.755 20 30 GHEDLO N#Cc1ccccc1Oc1nc(-c2ccccc2C[NH+]2CCOCC2)ncc1F ZINC001241988610 1035779609 /nfs/dbraw/zinc/77/96/09/1035779609.db2.gz ACRUVBBNTFTWRZ-UHFFFAOYSA-N 1 2 390.418 3.779 20 30 GHEDLO C=C[C@H](CC(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1)c1ccccc1 ZINC001462234454 1070107637 /nfs/dbraw/zinc/10/76/37/1070107637.db2.gz NRSRLVONAPDCCT-GGAORHGYSA-N 1 2 378.516 3.672 20 30 GHEDLO C=C[C@H](CC(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1)c1ccccc1 ZINC001462234454 1070107643 /nfs/dbraw/zinc/10/76/43/1070107643.db2.gz NRSRLVONAPDCCT-GGAORHGYSA-N 1 2 378.516 3.672 20 30 GHEDLO C=CCCCNC(=S)NCc1c[nH+]cn1Cc1cccc(C(F)(F)F)c1 ZINC001247790478 1038383304 /nfs/dbraw/zinc/38/33/04/1038383304.db2.gz RYGAWJNEBBAKGQ-UHFFFAOYSA-N 1 2 382.455 3.881 20 30 GHEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H]2O[C@@H](COCc3cccnc3)CC[C@H]21 ZINC001232607205 1038389765 /nfs/dbraw/zinc/38/97/65/1038389765.db2.gz FZUIMHNSXMPLDB-YPAWHYETSA-N 1 2 397.906 3.945 20 30 GHEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H]2O[C@@H](COCc3cccnc3)CC[C@H]21 ZINC001232607205 1038389781 /nfs/dbraw/zinc/38/97/81/1038389781.db2.gz FZUIMHNSXMPLDB-YPAWHYETSA-N 1 2 397.906 3.945 20 30 GHEDLO C#C[C@@H]([NH2+]Cc1cc(OC)ccc1OCOC)c1ccc(Br)cc1 ZINC001462276215 1070137789 /nfs/dbraw/zinc/13/77/89/1070137789.db2.gz HFBYWGOHDDQEDR-GOSISDBHSA-N 1 2 390.277 3.905 20 30 GHEDLO CCc1nc(C2CC[NH+](Cc3ccc(Br)c(C#N)c3)CC2)no1 ZINC001232899121 1038696510 /nfs/dbraw/zinc/69/65/10/1038696510.db2.gz LYQMKRKQCVYARN-UHFFFAOYSA-N 1 2 375.270 3.646 20 30 GHEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1cc(Cl)cnc1Br)CC2 ZINC001232960338 1038735138 /nfs/dbraw/zinc/73/51/38/1038735138.db2.gz YCACESZZRNHQNQ-UHFFFAOYSA-N 1 2 398.732 3.641 20 30 GHEDLO C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1ccc(N(C)C)c(C#N)c1F ZINC001233102704 1038887101 /nfs/dbraw/zinc/88/71/01/1038887101.db2.gz KFXRFGWKPXGTRU-WMLDXEAASA-N 1 2 390.503 3.641 20 30 GHEDLO C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1ccc(N(C)C)c(C#N)c1F ZINC001233102704 1038887128 /nfs/dbraw/zinc/88/71/28/1038887128.db2.gz KFXRFGWKPXGTRU-WMLDXEAASA-N 1 2 390.503 3.641 20 30 GHEDLO CN(C)c1ccc(C[NH+]2CCC(C#N)(c3ccccc3F)CC2)c(F)c1C#N ZINC001233104324 1038889474 /nfs/dbraw/zinc/88/94/74/1038889474.db2.gz VMMBJQHUWTUSQQ-UHFFFAOYSA-N 1 2 380.442 3.960 20 30 GHEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1ccn(C(=O)OC(C)(C)C)c1)CCO2 ZINC001233431698 1039304557 /nfs/dbraw/zinc/30/45/57/1039304557.db2.gz IOSPKABXSZGGNT-DENIHFKCSA-N 1 2 390.524 3.845 20 30 GHEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1ccn(C(=O)OC(C)(C)C)c1)CCO2 ZINC001233431698 1039304583 /nfs/dbraw/zinc/30/45/83/1039304583.db2.gz IOSPKABXSZGGNT-DENIHFKCSA-N 1 2 390.524 3.845 20 30 GHEDLO N#CCCCN1CC2(CCC1=O)CC[NH+](Cc1ncc(Cl)cc1Cl)CC2 ZINC001277802799 1039567298 /nfs/dbraw/zinc/56/72/98/1039567298.db2.gz SQRLJOZJGHOUOS-UHFFFAOYSA-N 1 2 395.334 3.897 20 30 GHEDLO COc1cc(/C=N/O)ccc1O[C@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC001233803899 1039629139 /nfs/dbraw/zinc/62/91/39/1039629139.db2.gz UVRCUZGXVADGHE-NXSNIQIJSA-N 1 2 381.885 3.657 20 30 GHEDLO CCCCN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(C#N)c(Br)c2)C1=O ZINC001277867319 1040148861 /nfs/dbraw/zinc/14/88/61/1040148861.db2.gz BUOMDTPZNAXWSB-IBGZPJMESA-N 1 2 390.325 3.688 20 30 GHEDLO CCCCN1CC[C@@]2(CCC[N@H+]2Cc2ccc(C#N)c(Br)c2)C1=O ZINC001277867319 1040148865 /nfs/dbraw/zinc/14/88/65/1040148865.db2.gz BUOMDTPZNAXWSB-IBGZPJMESA-N 1 2 390.325 3.688 20 30 GHEDLO CCOC(=O)c1nc2c(o1)CC[N@@H+](C1CCC(C#N)(c3ccc(F)cc3)CC1)C2 ZINC001254358722 1040191027 /nfs/dbraw/zinc/19/10/27/1040191027.db2.gz JXVOCIJOZKJYEI-UHFFFAOYSA-N 1 2 397.450 3.753 20 30 GHEDLO CCOC(=O)c1nc2c(o1)CC[N@H+](C1CCC(C#N)(c3ccc(F)cc3)CC1)C2 ZINC001254358722 1040191034 /nfs/dbraw/zinc/19/10/34/1040191034.db2.gz JXVOCIJOZKJYEI-UHFFFAOYSA-N 1 2 397.450 3.753 20 30 GHEDLO Cc1ccc(CNC(=O)NCCN(Cc2ccccc2)c2cccc[nH+]2)cc1C#N ZINC001255023947 1040736652 /nfs/dbraw/zinc/73/66/52/1040736652.db2.gz RWBYSGIDMMNOPU-UHFFFAOYSA-N 1 2 399.498 3.768 20 30 GHEDLO N#Cc1cc(F)c(C[N@@H+]2CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C2)c(F)c1 ZINC001235653337 1041099671 /nfs/dbraw/zinc/09/96/71/1041099671.db2.gz HOUBXYDTQXUHLK-PGRDOPGGSA-N 1 2 399.441 3.572 20 30 GHEDLO N#Cc1cc(F)c(C[N@H+]2CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C2)c(F)c1 ZINC001235653337 1041099690 /nfs/dbraw/zinc/09/96/90/1041099690.db2.gz HOUBXYDTQXUHLK-PGRDOPGGSA-N 1 2 399.441 3.572 20 30 GHEDLO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1I ZINC001236642411 1041799534 /nfs/dbraw/zinc/79/95/34/1041799534.db2.gz AHQHOJSTFRZNQY-ZSOGYDGISA-N 1 2 382.245 3.566 20 30 GHEDLO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1I ZINC001236642411 1041799539 /nfs/dbraw/zinc/79/95/39/1041799539.db2.gz AHQHOJSTFRZNQY-ZSOGYDGISA-N 1 2 382.245 3.566 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@](O)(C(F)(F)F)C2)cc1Br ZINC001236855952 1041930512 /nfs/dbraw/zinc/93/05/12/1041930512.db2.gz IQIUHXMQCPQNMH-AWEZNQCLSA-N 1 2 377.204 3.600 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@](O)(C(F)(F)F)C2)cc1Br ZINC001236855952 1041930513 /nfs/dbraw/zinc/93/05/13/1041930513.db2.gz IQIUHXMQCPQNMH-AWEZNQCLSA-N 1 2 377.204 3.600 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(-c2ccccc2F)nc1 ZINC001236989894 1041980815 /nfs/dbraw/zinc/98/08/15/1041980815.db2.gz FTBJHLHUROYVBU-JOCHJYFZSA-N 1 2 392.478 3.923 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(-c2ccccc2F)nc1 ZINC001236989894 1041980818 /nfs/dbraw/zinc/98/08/18/1041980818.db2.gz FTBJHLHUROYVBU-JOCHJYFZSA-N 1 2 392.478 3.923 20 30 GHEDLO CC(C)(C)OC(=O)Nc1cnc(C[NH+]2CCC(C#N)(c3ccccc3)CC2)cn1 ZINC001237429121 1042204723 /nfs/dbraw/zinc/20/47/23/1042204723.db2.gz ZKZGXOFZQWXFJL-UHFFFAOYSA-N 1 2 393.491 3.881 20 30 GHEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1cc(Cl)nc(C(F)(F)F)c1)CC2 ZINC001237492793 1042234235 /nfs/dbraw/zinc/23/42/35/1042234235.db2.gz QAWOGEMZAPEILL-UHFFFAOYSA-N 1 2 387.833 3.897 20 30 GHEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1cc(-c3cccc(Cl)c3)no1)CC2 ZINC001237763916 1042358670 /nfs/dbraw/zinc/35/86/70/1042358670.db2.gz ALBFAUICYPPGHF-UHFFFAOYSA-N 1 2 398.894 3.989 20 30 GHEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1cc(-c3cccc(Cl)c3)no1)CC2 ZINC001237763916 1042358674 /nfs/dbraw/zinc/35/86/74/1042358674.db2.gz ALBFAUICYPPGHF-UHFFFAOYSA-N 1 2 398.894 3.989 20 30 GHEDLO Cc1cc(Br)cn2c(C[N@H+](C)Cc3cc(C#N)cs3)cnc12 ZINC001462619281 1070418757 /nfs/dbraw/zinc/41/87/57/1070418757.db2.gz SPEBTGUVKHLVBP-UHFFFAOYSA-N 1 2 375.295 3.970 20 30 GHEDLO Cc1cc(Br)cn2c(C[N@@H+](C)Cc3cc(C#N)cs3)cnc12 ZINC001462619281 1070418766 /nfs/dbraw/zinc/41/87/66/1070418766.db2.gz SPEBTGUVKHLVBP-UHFFFAOYSA-N 1 2 375.295 3.970 20 30 GHEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C)cc(Br)c2OC)C1 ZINC001238333036 1042559610 /nfs/dbraw/zinc/55/96/10/1042559610.db2.gz RUQBRETWDQVKPT-OAHLLOKOSA-N 1 2 397.313 3.643 20 30 GHEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C)cc(Br)c2OC)C1 ZINC001238333036 1042559612 /nfs/dbraw/zinc/55/96/12/1042559612.db2.gz RUQBRETWDQVKPT-OAHLLOKOSA-N 1 2 397.313 3.643 20 30 GHEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1c(Cl)cncc1Br)CC2 ZINC001238390955 1042581344 /nfs/dbraw/zinc/58/13/44/1042581344.db2.gz UXOBFXCKUJONRQ-UHFFFAOYSA-N 1 2 398.732 3.641 20 30 GHEDLO COC(=O)[C@H](Cc1cccc(O)c1)[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257012579 1043799236 /nfs/dbraw/zinc/79/92/36/1043799236.db2.gz JYAVKPPYPVWBQV-AOMIVXANSA-N 1 2 378.472 3.664 20 30 GHEDLO C=C[C@@H]1C[C@]1([NH2+]C1CCC(C2CCC3(CC2)OCCO3)CC1)C(=O)OCC ZINC001257489548 1044015748 /nfs/dbraw/zinc/01/57/48/1044015748.db2.gz SNZZFFBSYKOFIZ-DQXZDLPLSA-N 1 2 377.525 3.576 20 30 GHEDLO CCN(CC)c1ccc(Cn2c(CC(C)C)nnc2N2CCC(C#N)CC2)c[nH+]1 ZINC001295420524 1045004773 /nfs/dbraw/zinc/00/47/73/1045004773.db2.gz RKNNYSADYXJHBV-UHFFFAOYSA-N 1 2 395.555 3.506 20 30 GHEDLO C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001301222258 1046413181 /nfs/dbraw/zinc/41/31/81/1046413181.db2.gz UFELKNUIPQOMRF-LJQANCHMSA-N 1 2 396.539 3.510 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@H](CC(F)(F)F)C1 ZINC001263024882 1046512394 /nfs/dbraw/zinc/51/23/94/1046512394.db2.gz MPPVJMVQPQIZIW-OAHLLOKOSA-N 1 2 398.477 3.560 20 30 GHEDLO N#Cc1cc(Cl)c(C(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)c(Cl)c1 ZINC001303306422 1047352229 /nfs/dbraw/zinc/35/22/29/1047352229.db2.gz HSTGSPDCSKOFQN-INIZCTEOSA-N 1 2 378.234 3.791 20 30 GHEDLO Cc1cccc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C)C2)[nH+]1 ZINC001304481224 1047688903 /nfs/dbraw/zinc/68/89/03/1047688903.db2.gz BTPQAUYRLPVXSU-KRWDZBQOSA-N 1 2 386.503 3.999 20 30 GHEDLO Cn1cc(C[N@@H+]2CCC23CN(Cc2cc(Cl)c(F)c(Cl)c2)C3)cc1C#N ZINC001279647955 1047890333 /nfs/dbraw/zinc/89/03/33/1047890333.db2.gz ZHBKBAUEVFYXCN-UHFFFAOYSA-N 1 2 393.293 3.803 20 30 GHEDLO Cn1cc(C[N@H+]2CCC23CN(Cc2cc(Cl)c(F)c(Cl)c2)C3)cc1C#N ZINC001279647955 1047890349 /nfs/dbraw/zinc/89/03/49/1047890349.db2.gz ZHBKBAUEVFYXCN-UHFFFAOYSA-N 1 2 393.293 3.803 20 30 GHEDLO C=CCCCC[N@H+]1CC[C@H]2C[C@]21C(=O)Nc1ncc(C)cc1Br ZINC001280127800 1048095131 /nfs/dbraw/zinc/09/51/31/1048095131.db2.gz GFXBRVMAMYKPTL-KBXCAEBGSA-N 1 2 378.314 3.912 20 30 GHEDLO C=CCCCC[N@@H+]1CC[C@H]2C[C@]21C(=O)Nc1ncc(C)cc1Br ZINC001280127800 1048095138 /nfs/dbraw/zinc/09/51/38/1048095138.db2.gz GFXBRVMAMYKPTL-KBXCAEBGSA-N 1 2 378.314 3.912 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2Cc2csc3ccccc23)CC1 ZINC001286473269 1048336506 /nfs/dbraw/zinc/33/65/06/1048336506.db2.gz ZKVARVLKKXXXPR-KRWDZBQOSA-N 1 2 393.560 3.810 20 30 GHEDLO C=CCN(C)c1nnc([C@H](CC)c2ccccc2)n1Cc1c[nH+]ccc1OC ZINC001286714471 1048470959 /nfs/dbraw/zinc/47/09/59/1048470959.db2.gz PZRJNVYJCAHUFI-LJQANCHMSA-N 1 2 377.492 3.894 20 30 GHEDLO C=CCN(C)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001286719491 1048474386 /nfs/dbraw/zinc/47/43/86/1048474386.db2.gz INZPUQAFRLCMHA-GOSISDBHSA-N 1 2 392.507 3.658 20 30 GHEDLO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC001307859345 1049642183 /nfs/dbraw/zinc/64/21/83/1049642183.db2.gz XJWOHAROIDHRLA-DZGCQCFKSA-N 1 2 391.899 3.592 20 30 GHEDLO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC001307859345 1049642187 /nfs/dbraw/zinc/64/21/87/1049642187.db2.gz XJWOHAROIDHRLA-DZGCQCFKSA-N 1 2 391.899 3.592 20 30 GHEDLO C=CCC[C@@H]1CCC[N@@H+]1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC001308138051 1049878334 /nfs/dbraw/zinc/87/83/34/1049878334.db2.gz UMFWJILXZHCCIO-MRXNPFEDSA-N 1 2 388.467 3.831 20 30 GHEDLO C=CCC[C@@H]1CCC[N@H+]1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC001308138051 1049878340 /nfs/dbraw/zinc/87/83/40/1049878340.db2.gz UMFWJILXZHCCIO-MRXNPFEDSA-N 1 2 388.467 3.831 20 30 GHEDLO COc1cccc(OCC[NH+]2CCN(Cc3ccc(C(C)(C)C#N)cc3)CC2)c1 ZINC001308565461 1050011205 /nfs/dbraw/zinc/01/12/05/1050011205.db2.gz BRCPBPQTBQUGDP-UHFFFAOYSA-N 1 2 393.531 3.693 20 30 GHEDLO C#CCn1ccc(C[N@@H+](CC)Cc2c[nH]nc2-c2ccc(Br)cc2)n1 ZINC001308733914 1050075530 /nfs/dbraw/zinc/07/55/30/1050075530.db2.gz GNRGMRJVJLADSN-UHFFFAOYSA-N 1 2 398.308 3.691 20 30 GHEDLO C#CCn1ccc(C[N@H+](CC)Cc2c[nH]nc2-c2ccc(Br)cc2)n1 ZINC001308733914 1050075534 /nfs/dbraw/zinc/07/55/34/1050075534.db2.gz GNRGMRJVJLADSN-UHFFFAOYSA-N 1 2 398.308 3.691 20 30 GHEDLO N#CCc1cccc2c1CC[N@@H+](Cc1cccc(I)c1)C2 ZINC001308888852 1050140947 /nfs/dbraw/zinc/14/09/47/1050140947.db2.gz AASQJNOYIUMLIF-UHFFFAOYSA-N 1 2 388.252 3.916 20 30 GHEDLO N#CCc1cccc2c1CC[N@H+](Cc1cccc(I)c1)C2 ZINC001308888852 1050140951 /nfs/dbraw/zinc/14/09/51/1050140951.db2.gz AASQJNOYIUMLIF-UHFFFAOYSA-N 1 2 388.252 3.916 20 30 GHEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001311683090 1052327807 /nfs/dbraw/zinc/32/78/07/1052327807.db2.gz XCCLHKARQROLTQ-HXUWFJFHSA-N 1 2 389.434 3.760 20 30 GHEDLO C#C[C@H](NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)c1ccc(F)cc1 ZINC001312935248 1052915238 /nfs/dbraw/zinc/91/52/38/1052915238.db2.gz YWZFPEDYKCXPQO-BDTNDASRSA-N 1 2 388.446 3.925 20 30 GHEDLO C#CCN(Cc1ccccc1)C(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC001313247814 1052996165 /nfs/dbraw/zinc/99/61/65/1052996165.db2.gz WNFHNYOVOBGUDS-UHFFFAOYSA-N 1 2 398.510 3.933 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC([C@H]2CCCCO2)CC1 ZINC001342330510 1053110939 /nfs/dbraw/zinc/11/09/39/1053110939.db2.gz UMPHJDRRSPIWQE-VQTJNVASSA-N 1 2 387.572 3.797 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC([C@H]2CCCCO2)CC1 ZINC001342330510 1053110950 /nfs/dbraw/zinc/11/09/50/1053110950.db2.gz UMPHJDRRSPIWQE-VQTJNVASSA-N 1 2 387.572 3.797 20 30 GHEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CC[C@@H]2CC[C@@]21c1cccnc1 ZINC001342340556 1053116306 /nfs/dbraw/zinc/11/63/06/1053116306.db2.gz DIHCAKHIEAUPJB-CVDCTZTESA-N 1 2 392.551 3.751 20 30 GHEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC2(CCCC2)C1 ZINC001343458233 1053783669 /nfs/dbraw/zinc/78/36/69/1053783669.db2.gz APWNLANFZACVFB-UHFFFAOYSA-N 1 2 382.556 3.718 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N(C)C[C@H]1CCOC1 ZINC001343553383 1053871238 /nfs/dbraw/zinc/87/12/38/1053871238.db2.gz HDDXEVDHAYDLPS-AZUAARDMSA-N 1 2 383.540 3.520 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N(C)C[C@H]1CCOC1 ZINC001343553383 1053871256 /nfs/dbraw/zinc/87/12/56/1053871256.db2.gz HDDXEVDHAYDLPS-AZUAARDMSA-N 1 2 383.540 3.520 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 ZINC001343578140 1053902357 /nfs/dbraw/zinc/90/23/57/1053902357.db2.gz UHWBFQVZVNKYGY-DFQSSKMNSA-N 1 2 398.555 3.690 20 30 GHEDLO C=CCN(c1nnc(C2CC[NH+](CCC#N)CC2)n1Cc1cccs1)C1CC1 ZINC001344654807 1054637944 /nfs/dbraw/zinc/63/79/44/1054637944.db2.gz OGXUBINLMBDIGG-UHFFFAOYSA-N 1 2 396.564 3.636 20 30 GHEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+](C)[C@@H]2CC[C@@H](SC)C2)c1=S ZINC001318835728 1054908633 /nfs/dbraw/zinc/90/86/33/1054908633.db2.gz IAXPKOGGEMUIIF-HZPDHXFCSA-N 1 2 375.567 3.835 20 30 GHEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+](C)[C@@H]2CC[C@@H](SC)C2)c1=S ZINC001318835728 1054908636 /nfs/dbraw/zinc/90/86/36/1054908636.db2.gz IAXPKOGGEMUIIF-HZPDHXFCSA-N 1 2 375.567 3.835 20 30 GHEDLO N#CCn1c(=O)c2ccccc2nc1C[N@@H+]1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC001319375183 1055211815 /nfs/dbraw/zinc/21/18/15/1055211815.db2.gz QVVQGMFLJGOSTE-YADARESESA-N 1 2 384.483 3.821 20 30 GHEDLO N#CCn1c(=O)c2ccccc2nc1C[N@H+]1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC001319375183 1055211821 /nfs/dbraw/zinc/21/18/21/1055211821.db2.gz QVVQGMFLJGOSTE-YADARESESA-N 1 2 384.483 3.821 20 30 GHEDLO CN(c1nnc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)n1C)[C@H]1CCC[C@H]1C#N ZINC001355554767 1057211774 /nfs/dbraw/zinc/21/17/74/1057211774.db2.gz XEJDDXBLKJVNIX-UFYCRDLUSA-N 1 2 378.524 3.671 20 30 GHEDLO CN(c1nnc([C@@H]2CCCC[N@H+]2Cc2ccccc2)n1C)[C@H]1CCC[C@H]1C#N ZINC001355554767 1057211779 /nfs/dbraw/zinc/21/17/79/1057211779.db2.gz XEJDDXBLKJVNIX-UFYCRDLUSA-N 1 2 378.524 3.671 20 30 GHEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC(CCCO)CC1 ZINC001356074061 1057378711 /nfs/dbraw/zinc/37/87/11/1057378711.db2.gz FBSBSPWTIQHHBA-LJQANCHMSA-N 1 2 397.567 3.646 20 30 GHEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC(CCCO)CC1 ZINC001356074061 1057378713 /nfs/dbraw/zinc/37/87/13/1057378713.db2.gz FBSBSPWTIQHHBA-LJQANCHMSA-N 1 2 397.567 3.646 20 30 GHEDLO COC(=O)/C=C/c1ccc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)o1 ZINC000848908475 1057412911 /nfs/dbraw/zinc/41/29/11/1057412911.db2.gz VKYVHVSAZIOSCW-AQKVLALTSA-N 1 2 399.878 3.502 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)[C@@H](C)c1ccccc1C ZINC001356377407 1057493269 /nfs/dbraw/zinc/49/32/69/1057493269.db2.gz CTDXCGKXSPUPKL-SFHVURJKSA-N 1 2 380.540 3.897 20 30 GHEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC(C)(C)C[C@H]1c1ccccc1 ZINC001338139144 1058421281 /nfs/dbraw/zinc/42/12/81/1058421281.db2.gz QAJHNVQHIFYYGG-FQEVSTJZSA-N 1 2 392.551 3.886 20 30 GHEDLO CC(C)c1cccc2c1CCN(c1nnc(C3CC[NH+](CCC#N)CC3)n1C)C2 ZINC001338924434 1058885463 /nfs/dbraw/zinc/88/54/63/1058885463.db2.gz LLGJOEHNUJFQGS-UHFFFAOYSA-N 1 2 392.551 3.594 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC[C@](C)(OC)CC1 ZINC001339021224 1058926308 /nfs/dbraw/zinc/92/63/08/1058926308.db2.gz AKYYTXNXZYKRTE-NQIIRXRSSA-N 1 2 386.544 3.692 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2Cc2ccccc2)nnc1N1CCCC(F)(F)C1 ZINC001339209828 1059013791 /nfs/dbraw/zinc/01/37/91/1059013791.db2.gz GEFURHQYTWJUTJ-UHFFFAOYSA-N 1 2 398.461 3.535 20 30 GHEDLO N#Cc1ccc(Oc2cccc(NC(=O)c3cc(-n4cc[nH+]c4)ccc3O)c2)nc1 ZINC001444606754 1059347149 /nfs/dbraw/zinc/34/71/49/1059347149.db2.gz ISPKEDKCXVJSFI-UHFFFAOYSA-N 1 2 397.394 3.889 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC001340626813 1060001347 /nfs/dbraw/zinc/00/13/47/1060001347.db2.gz CZRFLSNLJSREMB-YSIASYRMSA-N 1 2 382.556 3.572 20 30 GHEDLO C[N@@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCc1ccccc1 ZINC001341624841 1060779834 /nfs/dbraw/zinc/77/98/34/1060779834.db2.gz XZACNWGLGJZNCM-OFNKIYASSA-N 1 2 392.551 3.808 20 30 GHEDLO C[N@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCc1ccccc1 ZINC001341624841 1060779850 /nfs/dbraw/zinc/77/98/50/1060779850.db2.gz XZACNWGLGJZNCM-OFNKIYASSA-N 1 2 392.551 3.808 20 30 GHEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N(C)[C@@H](C)c1cccs1 ZINC001342013078 1060995788 /nfs/dbraw/zinc/99/57/88/1060995788.db2.gz RRJNXHMHTIDXIW-BBWFWOEESA-N 1 2 387.553 3.649 20 30 GHEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N(C)[C@@H](C)c1cccs1 ZINC001342013078 1060995795 /nfs/dbraw/zinc/99/57/95/1060995795.db2.gz RRJNXHMHTIDXIW-BBWFWOEESA-N 1 2 387.553 3.649 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)cc1C ZINC001347447479 1062392080 /nfs/dbraw/zinc/39/20/80/1062392080.db2.gz MDEKQAVXGXKLGS-UHFFFAOYSA-N 1 2 389.499 3.803 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)cc1C ZINC001347447479 1062392096 /nfs/dbraw/zinc/39/20/96/1062392096.db2.gz MDEKQAVXGXKLGS-UHFFFAOYSA-N 1 2 389.499 3.803 20 30 GHEDLO N#Cc1cncnc1N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001458266702 1063707018 /nfs/dbraw/zinc/70/70/18/1063707018.db2.gz HWSJIRCOHDTURQ-OAQYLSRUSA-N 1 2 389.890 3.913 20 30 GHEDLO OC[C@H](c1ccc(Cl)cc1)[NH+]1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC001459462274 1064104554 /nfs/dbraw/zinc/10/45/54/1064104554.db2.gz BAEDOWALILIJFS-OAQYLSRUSA-N 1 2 389.326 3.696 20 30 GHEDLO COC(=O)c1cccc(CN2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)c1C#N ZINC001459558268 1064126803 /nfs/dbraw/zinc/12/68/03/1064126803.db2.gz HYUBUHFWZWKAMI-INIZCTEOSA-N 1 2 397.906 3.877 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCN(c3ccc(C)cc3)CC2)cc1 ZINC001459796761 1064221485 /nfs/dbraw/zinc/22/14/85/1064221485.db2.gz GESXYKFGZHJWFG-OAQYLSRUSA-N 1 2 390.531 3.761 20 30 GHEDLO C[C@@H]1CN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CC2CC2)[C@@H]2CCCC[C@H]21 ZINC001351500124 1064484441 /nfs/dbraw/zinc/48/44/41/1064484441.db2.gz FEJFDZIQEHIABH-JRGCBEDISA-N 1 2 396.583 3.796 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[C@@H]2CC[C@@]21c1cccnc1 ZINC001351617175 1064533481 /nfs/dbraw/zinc/53/34/81/1064533481.db2.gz WWTJRTUKHAWWGX-KPLVRAHFSA-N 1 2 378.524 3.532 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@H]2CC[C@@]21c1cccnc1 ZINC001351617175 1064533494 /nfs/dbraw/zinc/53/34/94/1064533494.db2.gz WWTJRTUKHAWWGX-KPLVRAHFSA-N 1 2 378.524 3.532 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC(Cc2nccs2)CC1 ZINC001351616030 1064533663 /nfs/dbraw/zinc/53/36/63/1064533663.db2.gz NOTHWQVWYGJACA-QGZVFWFLSA-N 1 2 386.569 3.537 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC(Cc2nccs2)CC1 ZINC001351616030 1064533678 /nfs/dbraw/zinc/53/36/78/1064533678.db2.gz NOTHWQVWYGJACA-QGZVFWFLSA-N 1 2 386.569 3.537 20 30 GHEDLO C=CCN(Cc1ccccc1F)C(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001464390573 1064983642 /nfs/dbraw/zinc/98/36/42/1064983642.db2.gz DTJUTCCOJFPVLV-GOSISDBHSA-N 1 2 399.485 3.690 20 30 GHEDLO N#Cc1cccc([C@H]2CN(C(=O)[C@H]3CC[C@@H](Nc4cccc[nH+]4)CC3)CCO2)c1 ZINC001466608844 1066210631 /nfs/dbraw/zinc/21/06/31/1066210631.db2.gz GKVCSQNRNQXUJY-HLAWJBBLSA-N 1 2 390.487 3.524 20 30 GHEDLO C[N@@H+]1CCCC[C@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccccc1 ZINC001357660711 1067219499 /nfs/dbraw/zinc/21/94/99/1067219499.db2.gz RAZBXULRVJZQLH-UGKGYDQZSA-N 1 2 378.524 3.613 20 30 GHEDLO C[N@H+]1CCCC[C@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccccc1 ZINC001357660711 1067219503 /nfs/dbraw/zinc/21/95/03/1067219503.db2.gz RAZBXULRVJZQLH-UGKGYDQZSA-N 1 2 378.524 3.613 20 30 GHEDLO C#C[C@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1Cc1c[nH+]ccc1OC ZINC001358873538 1067589397 /nfs/dbraw/zinc/58/93/97/1067589397.db2.gz KUTINXGRYOWLPV-FXAWDEMLSA-N 1 2 389.503 3.730 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2C[C@@H]2CCCc3ccccc32)CC1 ZINC001359029449 1067659240 /nfs/dbraw/zinc/65/92/40/1067659240.db2.gz YFJRKLZEICSRKB-CTNGQTDRSA-N 1 2 391.563 3.667 20 30 GHEDLO C=C1CCN(c2nnc(CC(C)C)n2Cc2ccccc2-n2cc[nH+]c2)CC1 ZINC001359166180 1067720417 /nfs/dbraw/zinc/72/04/17/1067720417.db2.gz IWKFQBBLHNALOJ-UHFFFAOYSA-N 1 2 376.508 3.867 20 30 GHEDLO C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2CCCNc2cccc[nH+]2)CC1 ZINC001359178053 1067737542 /nfs/dbraw/zinc/73/75/42/1067737542.db2.gz HWHMQPCGAKZIAY-IBGZPJMESA-N 1 2 396.539 3.819 20 30 GHEDLO C[C@H](c1nc(Cc2ccc(F)cc2)no1)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC001460183162 1068841453 /nfs/dbraw/zinc/84/14/53/1068841453.db2.gz DEBRLCBXNGSTIN-MRXNPFEDSA-N 1 2 394.450 3.881 20 30 GHEDLO C[C@H](c1nc(Cc2ccc(F)cc2)no1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC001460183162 1068841469 /nfs/dbraw/zinc/84/14/69/1068841469.db2.gz DEBRLCBXNGSTIN-MRXNPFEDSA-N 1 2 394.450 3.881 20 30 GHEDLO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](c2ncc(Br)cn2)C1 ZINC001460772327 1069168734 /nfs/dbraw/zinc/16/87/34/1069168734.db2.gz ISJCHVDYRUSYKL-ZDUSSCGKSA-N 1 2 375.245 3.629 20 30 GHEDLO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H](c2ncc(Br)cn2)C1 ZINC001460772327 1069168737 /nfs/dbraw/zinc/16/87/37/1069168737.db2.gz ISJCHVDYRUSYKL-ZDUSSCGKSA-N 1 2 375.245 3.629 20 30 GHEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)c2cc(C)c(C#N)cn2)cc1 ZINC001472725907 1073638407 /nfs/dbraw/zinc/63/84/07/1073638407.db2.gz SCWYTJDDWODRNS-UHFFFAOYSA-N 1 2 375.476 3.954 20 30 GHEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1ncc(Br)cc1F ZINC001473517218 1073997549 /nfs/dbraw/zinc/99/75/49/1073997549.db2.gz FHWFJIXQEFJUKX-UHFFFAOYSA-N 1 2 378.245 3.503 20 30 GHEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1ncc(Br)cc1F ZINC001473517218 1073997551 /nfs/dbraw/zinc/99/75/51/1073997551.db2.gz FHWFJIXQEFJUKX-UHFFFAOYSA-N 1 2 378.245 3.503 20 30 GHEDLO C#CCC1(O)CC[NH+](Cc2cc(C(F)(F)F)ccc2Br)CC1 ZINC001474683438 1074512921 /nfs/dbraw/zinc/51/29/21/1074512921.db2.gz YNUFTBRMSYAIPG-UHFFFAOYSA-N 1 2 376.216 3.818 20 30 GHEDLO CCCCCCCCn1nc(C)c(S(=O)(=O)N2CC[N@H+](CC)C[C@@H]2C)c1C ZINC001475288371 1074823206 /nfs/dbraw/zinc/82/32/06/1074823206.db2.gz WWVJPHZJJBHFHV-KRWDZBQOSA-N 1 2 398.617 3.575 20 30 GHEDLO CCCCCCCCn1nc(C)c(S(=O)(=O)N2CC[N@@H+](CC)C[C@@H]2C)c1C ZINC001475288371 1074823213 /nfs/dbraw/zinc/82/32/13/1074823213.db2.gz WWVJPHZJJBHFHV-KRWDZBQOSA-N 1 2 398.617 3.575 20 30 GHEDLO C=CCCCCCCCNC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC001475851674 1075034460 /nfs/dbraw/zinc/03/44/60/1075034460.db2.gz JSCRQQOPDSLINY-UHFFFAOYSA-N 1 2 386.540 3.722 20 30 GHEDLO Cn1cc([C@H]([NH2+]Cc2ccc(C#N)cc2Br)c2ccccc2)cn1 ZINC000359895119 212122086 /nfs/dbraw/zinc/12/20/86/212122086.db2.gz GKUNXIYVUSCVIV-LJQANCHMSA-N 1 2 381.277 3.933 20 30 GHEDLO C=CC[N@H+](Cc1cccs1)Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000819745497 606479451 /nfs/dbraw/zinc/47/94/51/606479451.db2.gz GNYURFUGVSYYIE-UHFFFAOYSA-N 1 2 377.420 3.718 20 30 GHEDLO C=CC[N@@H+](Cc1cccs1)Cc1ccc(-c2nn[nH]n2)cc1OC(F)F ZINC000819745497 606479453 /nfs/dbraw/zinc/47/94/53/606479453.db2.gz GNYURFUGVSYYIE-UHFFFAOYSA-N 1 2 377.420 3.718 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1 ZINC000583534168 834588140 /nfs/dbraw/zinc/58/81/40/834588140.db2.gz APRTWYLCNLVBOF-PKOBYXMFSA-N 1 2 399.926 3.736 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1 ZINC000583534168 834588142 /nfs/dbraw/zinc/58/81/42/834588142.db2.gz APRTWYLCNLVBOF-PKOBYXMFSA-N 1 2 399.926 3.736 20 30 GHEDLO C[N@@H+]1CCO[C@H]([C@@H](Nc2ccc(C#N)c([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000558597301 834765428 /nfs/dbraw/zinc/76/54/28/834765428.db2.gz SGAZKKFFQAVPOB-OALUTQOASA-N 1 2 386.839 3.604 20 30 GHEDLO C[N@H+]1CCO[C@H]([C@@H](Nc2ccc(C#N)c([N+](=O)[O-])c2)c2ccc(Cl)cc2)C1 ZINC000558597301 834765433 /nfs/dbraw/zinc/76/54/33/834765433.db2.gz SGAZKKFFQAVPOB-OALUTQOASA-N 1 2 386.839 3.604 20 30 GHEDLO Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(C#N)(c3ccccn3)CC2)c(C)c1 ZINC000548865909 835575499 /nfs/dbraw/zinc/57/54/99/835575499.db2.gz JIYRRZFFFFILSW-LJQANCHMSA-N 1 2 376.504 3.891 20 30 GHEDLO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N[C@@H](c1cc(F)ccc1F)C(F)F ZINC000635868466 835787616 /nfs/dbraw/zinc/78/76/16/835787616.db2.gz DWJWPHSSVLUKBF-YPMHNXCESA-N 1 2 383.267 3.777 20 30 GHEDLO Cc1ccc(C#N)cc1NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000179755453 835967822 /nfs/dbraw/zinc/96/78/22/835967822.db2.gz LSMYKBGKXROJOL-WOJBJXKFSA-N 1 2 398.894 3.714 20 30 GHEDLO Cc1ccc(C#N)cc1NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000179755453 835967823 /nfs/dbraw/zinc/96/78/23/835967823.db2.gz LSMYKBGKXROJOL-WOJBJXKFSA-N 1 2 398.894 3.714 20 30 GHEDLO C=CCn1c(-c2ccc(Cl)cc2)nn(C[N@H+](C)C[C@H]2CCOC2)c1=S ZINC000176095866 844113861 /nfs/dbraw/zinc/11/38/61/844113861.db2.gz FEPCSHNBFFAJBR-CQSZACIVSA-N 1 2 378.929 3.846 20 30 GHEDLO C=CCn1c(-c2ccc(Cl)cc2)nn(C[N@@H+](C)C[C@H]2CCOC2)c1=S ZINC000176095866 844113867 /nfs/dbraw/zinc/11/38/67/844113867.db2.gz FEPCSHNBFFAJBR-CQSZACIVSA-N 1 2 378.929 3.846 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000247059738 836691972 /nfs/dbraw/zinc/69/19/72/836691972.db2.gz LVLVRARMFBGWTM-CRAIPNDOSA-N 1 2 379.435 3.619 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000247059738 836691978 /nfs/dbraw/zinc/69/19/78/836691978.db2.gz LVLVRARMFBGWTM-CRAIPNDOSA-N 1 2 379.435 3.619 20 30 GHEDLO O=C(/C=C/c1cccc2[nH+]ccn21)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 ZINC000180314705 837091115 /nfs/dbraw/zinc/09/11/15/837091115.db2.gz NEATVOQXQUFFSI-RMKNXTFCSA-N 1 2 394.374 3.566 20 30 GHEDLO C#Cc1ccc(Nc2ccc[nH+]c2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC001210114668 837314312 /nfs/dbraw/zinc/31/43/12/837314312.db2.gz DSOQWLFRCPKCRG-GOSISDBHSA-N 1 2 378.476 3.910 20 30 GHEDLO COc1ccc(-c2nnc(C[NH+]3CCC(Oc4cccc(C#N)c4)CC3)o2)cc1 ZINC000609195215 838295892 /nfs/dbraw/zinc/29/58/92/838295892.db2.gz DWXOHCKGFUNRDH-UHFFFAOYSA-N 1 2 390.443 3.660 20 30 GHEDLO CCOc1ccc([C@@H]2CCC[N@@H+]2CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000128409173 838406738 /nfs/dbraw/zinc/40/67/38/838406738.db2.gz FJLLGBKGKQTTSJ-NRFANRHFSA-N 1 2 384.501 3.568 20 30 GHEDLO CCOc1ccc([C@@H]2CCC[N@H+]2CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000128409173 838406742 /nfs/dbraw/zinc/40/67/42/838406742.db2.gz FJLLGBKGKQTTSJ-NRFANRHFSA-N 1 2 384.501 3.568 20 30 GHEDLO CCOc1ccc(C#N)cc1NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000610322711 838444699 /nfs/dbraw/zinc/44/46/99/838444699.db2.gz CYHNXTZLQLRPHM-SFHVURJKSA-N 1 2 389.459 3.796 20 30 GHEDLO C=C(C)CN(CC)C(=O)CSc1nnc([C@H](CC)[NH+](C)C)n1CCCC ZINC000044172477 838464917 /nfs/dbraw/zinc/46/49/17/838464917.db2.gz ZWVOTCDDAALGMA-INIZCTEOSA-N 1 2 381.590 3.608 20 30 GHEDLO C[C@@H](c1nnc(SCc2nc(C#N)cs2)n1-c1ccc(F)cc1)[NH+](C)C ZINC000416892750 840255668 /nfs/dbraw/zinc/25/56/68/840255668.db2.gz LDKQROWRHCHIHG-NSHDSACASA-N 1 2 388.497 3.649 20 30 GHEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N(C)Cc2cccc(C#N)c2)C[C@@H](C)O1 ZINC000047569786 841020808 /nfs/dbraw/zinc/02/08/08/841020808.db2.gz BOAUAPZHAMTPDL-QZTJIDSGSA-N 1 2 392.503 3.831 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000120634973 844609829 /nfs/dbraw/zinc/60/98/29/844609829.db2.gz COESEWLKZCWAEP-NRFANRHFSA-N 1 2 376.847 3.924 20 30 GHEDLO COc1cc(C[NH+]2CCN(c3cccc(C#N)c3)CC2)cc(C(F)(F)F)c1 ZINC001143519401 842322113 /nfs/dbraw/zinc/32/21/13/842322113.db2.gz LFMVGSRAYDULTK-UHFFFAOYSA-N 1 2 375.394 3.908 20 30 GHEDLO CC[C@@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1nnc2n1CCCCC2 ZINC000661939087 842376721 /nfs/dbraw/zinc/37/67/21/842376721.db2.gz HVADESRUJIQLIZ-QGZVFWFLSA-N 1 2 392.425 3.996 20 30 GHEDLO C=CC[N@@H+](CC(=O)Nc1cc(C)ccc1-c1n[nH]c(C)n1)Cc1ccccc1 ZINC000487376504 842590456 /nfs/dbraw/zinc/59/04/56/842590456.db2.gz MUCKVLLLTDAMJC-UHFFFAOYSA-N 1 2 375.476 3.715 20 30 GHEDLO C=CC[N@H+](CC(=O)Nc1cc(C)ccc1-c1n[nH]c(C)n1)Cc1ccccc1 ZINC000487376504 842590466 /nfs/dbraw/zinc/59/04/66/842590466.db2.gz MUCKVLLLTDAMJC-UHFFFAOYSA-N 1 2 375.476 3.715 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N[C@@H](C)c1ccc(CC)cc1 ZINC000512144679 842635581 /nfs/dbraw/zinc/63/55/81/842635581.db2.gz BXMOCJKZWWONFP-ROUUACIJSA-N 1 2 384.520 3.978 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N[C@@H](C)c1ccc(CC)cc1 ZINC000512144679 842635586 /nfs/dbraw/zinc/63/55/86/842635586.db2.gz BXMOCJKZWWONFP-ROUUACIJSA-N 1 2 384.520 3.978 20 30 GHEDLO Cn1c2ccccc2nc1[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000126009171 842711500 /nfs/dbraw/zinc/71/15/00/842711500.db2.gz AJBOEODKCPMCLX-QHCPKHFHSA-N 1 2 395.466 3.763 20 30 GHEDLO C=C(C)Cn1c(-c2sccc2C)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000549658231 843136156 /nfs/dbraw/zinc/13/61/56/843136156.db2.gz SMBGIDJTJVCTLM-UHFFFAOYSA-N 1 2 394.548 3.608 20 30 GHEDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CCO[C@@H](C2CCCCC2)C1 ZINC000329413493 861389081 /nfs/dbraw/zinc/38/90/81/861389081.db2.gz FKXOESQDSFZQPU-GOSISDBHSA-N 1 2 392.569 3.956 20 30 GHEDLO N#Cc1ccc(OCc2cccc(C(=O)NCc3ccn4cc[nH+]c4c3)c2)cc1 ZINC000178349635 843224912 /nfs/dbraw/zinc/22/49/12/843224912.db2.gz HUXCGUVJJKDPNS-UHFFFAOYSA-N 1 2 382.423 3.715 20 30 GHEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]1c1ccccc1Br ZINC000610676207 843507250 /nfs/dbraw/zinc/50/72/50/843507250.db2.gz FSZTVQITYJBZNY-PBHICJAKSA-N 1 2 378.314 3.594 20 30 GHEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]1c1ccccc1Br ZINC000610676207 843507257 /nfs/dbraw/zinc/50/72/57/843507257.db2.gz FSZTVQITYJBZNY-PBHICJAKSA-N 1 2 378.314 3.594 20 30 GHEDLO N#Cc1ccc(CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)c(F)c1 ZINC000178382054 843523766 /nfs/dbraw/zinc/52/37/66/843523766.db2.gz YUAQRWHFENVCSA-SFTDATJTSA-N 1 2 389.434 3.622 20 30 GHEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000024887148 843636415 /nfs/dbraw/zinc/63/64/15/843636415.db2.gz MYECGOIJXZGVDT-LSDHHAIUSA-N 1 2 384.505 3.653 20 30 GHEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000024887148 843636418 /nfs/dbraw/zinc/63/64/18/843636418.db2.gz MYECGOIJXZGVDT-LSDHHAIUSA-N 1 2 384.505 3.653 20 30 GHEDLO COc1ccc2cc(CN(C)C(=O)[C@@H](C)[NH+]3CCC(F)(C#N)CC3)ccc2c1 ZINC000510871615 843677477 /nfs/dbraw/zinc/67/74/77/843677477.db2.gz GSFAETIAQIVQRP-MRXNPFEDSA-N 1 2 383.467 3.523 20 30 GHEDLO N#CC1(NC(=O)C[N@H+](Cc2cccs2)Cc2ccc3[nH]ccc3c2)CCC1 ZINC000599673904 861470061 /nfs/dbraw/zinc/47/00/61/861470061.db2.gz VQHPDWUGCRJKSX-UHFFFAOYSA-N 1 2 378.501 3.794 20 30 GHEDLO N#CC1(NC(=O)C[N@@H+](Cc2cccs2)Cc2ccc3[nH]ccc3c2)CCC1 ZINC000599673904 861470080 /nfs/dbraw/zinc/47/00/80/861470080.db2.gz VQHPDWUGCRJKSX-UHFFFAOYSA-N 1 2 378.501 3.794 20 30 GHEDLO Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)c1nc2c(cc1C#N)CCCC2 ZINC000329460053 861475071 /nfs/dbraw/zinc/47/50/71/861475071.db2.gz PAWWUPISZPKFNK-ROUUACIJSA-N 1 2 399.539 3.646 20 30 GHEDLO Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)c1nc2c(cc1C#N)CCCC2 ZINC000329460053 861475080 /nfs/dbraw/zinc/47/50/80/861475080.db2.gz PAWWUPISZPKFNK-ROUUACIJSA-N 1 2 399.539 3.646 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000432967457 844767008 /nfs/dbraw/zinc/76/70/08/844767008.db2.gz YOVVAZLAKPQPGE-SFHVURJKSA-N 1 2 394.544 3.969 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000432967457 844767016 /nfs/dbraw/zinc/76/70/16/844767016.db2.gz YOVVAZLAKPQPGE-SFHVURJKSA-N 1 2 394.544 3.969 20 30 GHEDLO C[N@H+](CCC1(C#N)CCCCC1)CC(=O)Nc1ccc(Br)cn1 ZINC000411236029 845141291 /nfs/dbraw/zinc/14/12/91/845141291.db2.gz KGMCKFRBLHQBSX-UHFFFAOYSA-N 1 2 379.302 3.579 20 30 GHEDLO C[N@@H+](CCC1(C#N)CCCCC1)CC(=O)Nc1ccc(Br)cn1 ZINC000411236029 845141296 /nfs/dbraw/zinc/14/12/96/845141296.db2.gz KGMCKFRBLHQBSX-UHFFFAOYSA-N 1 2 379.302 3.579 20 30 GHEDLO CCCCc1nc(CO[NH+]=C(N)c2ccc(OCc3ccccc3)cc2)no1 ZINC000731445257 861621132 /nfs/dbraw/zinc/62/11/32/861621132.db2.gz AKOOHXUCHUFOLQ-UHFFFAOYSA-N 1 2 380.448 3.828 20 30 GHEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000673779945 861697688 /nfs/dbraw/zinc/69/76/88/861697688.db2.gz QNAYIJXGHFTXBJ-UHFFFAOYSA-N 1 2 378.476 3.592 20 30 GHEDLO C=C(CNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000501098787 846639407 /nfs/dbraw/zinc/63/94/07/846639407.db2.gz NFYXHSPKFPCHKF-LEWJYISDSA-N 1 2 399.922 3.724 20 30 GHEDLO C=C(CNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000501098787 846639413 /nfs/dbraw/zinc/63/94/13/846639413.db2.gz NFYXHSPKFPCHKF-LEWJYISDSA-N 1 2 399.922 3.724 20 30 GHEDLO C#CC[N@@H+](CC)CC(=O)Nc1scc(-c2ccc(C)cc2)c1C(=O)OCC ZINC001167571803 847133520 /nfs/dbraw/zinc/13/35/20/847133520.db2.gz AHGRPJDWXQJREN-UHFFFAOYSA-N 1 2 384.501 3.794 20 30 GHEDLO C#CC[N@H+](CC)CC(=O)Nc1scc(-c2ccc(C)cc2)c1C(=O)OCC ZINC001167571803 847133525 /nfs/dbraw/zinc/13/35/25/847133525.db2.gz AHGRPJDWXQJREN-UHFFFAOYSA-N 1 2 384.501 3.794 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)CCC#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000501824553 847211752 /nfs/dbraw/zinc/21/17/52/847211752.db2.gz MCPLFABYILCBRJ-WMZOPIPTSA-N 1 2 396.457 3.868 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)NCC(C)(C)CCC#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000501824553 847211762 /nfs/dbraw/zinc/21/17/62/847211762.db2.gz MCPLFABYILCBRJ-WMZOPIPTSA-N 1 2 396.457 3.868 20 30 GHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)[C@@H](C)c2ccccn2)c1C#N ZINC000127945124 847727327 /nfs/dbraw/zinc/72/73/27/847727327.db2.gz ZJOVXZFLBPYKRK-KRWDZBQOSA-N 1 2 391.475 3.644 20 30 GHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)[C@@H](C)c2ccccn2)c1C#N ZINC000127945124 847727331 /nfs/dbraw/zinc/72/73/31/847727331.db2.gz ZJOVXZFLBPYKRK-KRWDZBQOSA-N 1 2 391.475 3.644 20 30 GHEDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000732063171 862050990 /nfs/dbraw/zinc/05/09/90/862050990.db2.gz WOPMSBLKVCEMEF-IBGZPJMESA-N 1 2 389.459 3.787 20 30 GHEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cnc(-c3ccncc3)s2)CC1 ZINC000434991203 849977792 /nfs/dbraw/zinc/97/77/92/849977792.db2.gz NSKNURDSECSMQO-HXUWFJFHSA-N 1 2 375.501 3.588 20 30 GHEDLO Cc1cn2cc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@H]4N3c3ncccn3)ccc2[nH+]1 ZINC000329698875 862102803 /nfs/dbraw/zinc/10/28/03/862102803.db2.gz CVFLUTKWKSHRBR-JQHSSLGASA-N 1 2 376.464 3.858 20 30 GHEDLO C[C@@H](CSc1ccccc1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000518917911 850350512 /nfs/dbraw/zinc/35/05/12/850350512.db2.gz CYNARWRZRLZEEL-SFHVURJKSA-N 1 2 379.529 3.631 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCS2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000909293253 850676305 /nfs/dbraw/zinc/67/63/05/850676305.db2.gz ISJCLOOCVNPQGM-QGZVFWFLSA-N 1 2 384.553 3.898 20 30 GHEDLO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CCc3cc(-c4ccccc4)oc3C2)c1 ZINC001167960042 851021786 /nfs/dbraw/zinc/02/17/86/851021786.db2.gz REDASJARYNSMGT-UHFFFAOYSA-N 1 2 399.450 3.634 20 30 GHEDLO C#Cc1cccc(NC(=O)NC(=O)C[N@H+]2CCc3cc(-c4ccccc4)oc3C2)c1 ZINC001167960042 851021792 /nfs/dbraw/zinc/02/17/92/851021792.db2.gz REDASJARYNSMGT-UHFFFAOYSA-N 1 2 399.450 3.634 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)oc2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000436053467 851150980 /nfs/dbraw/zinc/15/09/80/851150980.db2.gz OCGJCBBZZYOKPJ-ZWKOTPCHSA-N 1 2 375.831 3.818 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)c2cc(C#N)oc2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000436053467 851150984 /nfs/dbraw/zinc/15/09/84/851150984.db2.gz OCGJCBBZZYOKPJ-ZWKOTPCHSA-N 1 2 375.831 3.818 20 30 GHEDLO Cc1oc(C#N)cc1C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000436088439 851182117 /nfs/dbraw/zinc/18/21/17/851182117.db2.gz MOJSFQJRXFTNAU-UHFFFAOYSA-N 1 2 378.457 3.727 20 30 GHEDLO Cc1oc(C#N)cc1C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000436088439 851182124 /nfs/dbraw/zinc/18/21/24/851182124.db2.gz MOJSFQJRXFTNAU-UHFFFAOYSA-N 1 2 378.457 3.727 20 30 GHEDLO N#Cc1ccccc1COc1ccc(C(=O)NCC[NH+]2Cc3ccccc3C2)cc1 ZINC000604481451 862223857 /nfs/dbraw/zinc/22/38/57/862223857.db2.gz VYGGUTXYLCJKPG-UHFFFAOYSA-N 1 2 397.478 3.883 20 30 GHEDLO CSCc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000067349913 851275961 /nfs/dbraw/zinc/27/59/61/851275961.db2.gz DIKSYDHFEBVNPL-UHFFFAOYSA-N 1 2 380.517 3.771 20 30 GHEDLO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@H+](C)[C@H]3CCOC3)sc2C1 ZINC000427024383 852644275 /nfs/dbraw/zinc/64/42/75/852644275.db2.gz SLSVVBVSBIXLRZ-CABCVRRESA-N 1 2 389.565 3.820 20 30 GHEDLO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@@H+](C)[C@H]3CCOC3)sc2C1 ZINC000427024383 852644284 /nfs/dbraw/zinc/64/42/84/852644284.db2.gz SLSVVBVSBIXLRZ-CABCVRRESA-N 1 2 389.565 3.820 20 30 GHEDLO CCc1ccc([C@H](C#N)NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)cc1 ZINC000489963298 852676421 /nfs/dbraw/zinc/67/64/21/852676421.db2.gz ZKVQSRLSHKITFR-IBGZPJMESA-N 1 2 378.501 3.819 20 30 GHEDLO C[C@@H](CC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)NC(=O)c1ccccc1 ZINC000329866351 862382784 /nfs/dbraw/zinc/38/27/84/862382784.db2.gz AZRSPEBGVZUFAE-KRWDZBQOSA-N 1 2 394.519 3.709 20 30 GHEDLO COc1cc2nc(C)sc2cc1NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000329883649 862394954 /nfs/dbraw/zinc/39/49/54/862394954.db2.gz RGXARUZAOGFDGR-WBMJQRKESA-N 1 2 385.493 3.938 20 30 GHEDLO CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)s2)[C@H]1c1ccc(F)c(F)c1 ZINC000490255084 852871953 /nfs/dbraw/zinc/87/19/53/852871953.db2.gz XVSPJGCUECJABS-FUHWJXTLSA-N 1 2 375.444 3.852 20 30 GHEDLO CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)s2)[C@H]1c1ccc(F)c(F)c1 ZINC000490255084 852871962 /nfs/dbraw/zinc/87/19/62/852871962.db2.gz XVSPJGCUECJABS-FUHWJXTLSA-N 1 2 375.444 3.852 20 30 GHEDLO N#Cc1csc(C[NH+]2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)n1 ZINC000519604795 852910903 /nfs/dbraw/zinc/91/09/03/852910903.db2.gz CJTOYCHQBHPLRA-UHFFFAOYSA-N 1 2 378.860 3.658 20 30 GHEDLO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](CC(=O)Nc3nc4c(s3)CCC4)C2)nc1 ZINC000329924627 862428481 /nfs/dbraw/zinc/42/84/81/862428481.db2.gz VAXAVSCGLDIFOD-AWEZNQCLSA-N 1 2 399.520 3.923 20 30 GHEDLO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](CC(=O)Nc3nc4c(s3)CCC4)C2)nc1 ZINC000329924627 862428482 /nfs/dbraw/zinc/42/84/82/862428482.db2.gz VAXAVSCGLDIFOD-AWEZNQCLSA-N 1 2 399.520 3.923 20 30 GHEDLO N#Cc1c(NC(=O)CC[N@@H+]2CCO[C@@H](c3ccccc3)C2)sc2c1CCCC2 ZINC000029534376 853191660 /nfs/dbraw/zinc/19/16/60/853191660.db2.gz PRKACLAJYFYADX-LJQANCHMSA-N 1 2 395.528 3.901 20 30 GHEDLO N#Cc1c(NC(=O)CC[N@H+]2CCO[C@@H](c3ccccc3)C2)sc2c1CCCC2 ZINC000029534376 853191666 /nfs/dbraw/zinc/19/16/66/853191666.db2.gz PRKACLAJYFYADX-LJQANCHMSA-N 1 2 395.528 3.901 20 30 GHEDLO C=C[C@](C)(CCOC)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000437627012 853332051 /nfs/dbraw/zinc/33/20/51/853332051.db2.gz GYLXHDVKQPNDJS-FXAWDEMLSA-N 1 2 382.907 3.961 20 30 GHEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(c2ccccc2Br)CC1 ZINC000439256195 853492631 /nfs/dbraw/zinc/49/26/31/853492631.db2.gz HCVHHUUYYZZTFM-HNNXBMFYSA-N 1 2 392.341 3.637 20 30 GHEDLO COc1cc(C[NH+]2CCN(Cc3ccc(C#N)cc3Cl)CC2)cc(OC)c1 ZINC000439437416 853651802 /nfs/dbraw/zinc/65/18/02/853651802.db2.gz KFCJTRUUPIGAQS-UHFFFAOYSA-N 1 2 385.895 3.547 20 30 GHEDLO C=CCC[C@@H](NC(=O)NCC[N@H+]1CCOC[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000440863020 853686609 /nfs/dbraw/zinc/68/66/09/853686609.db2.gz WNYBUDKAUQTFIP-MAUKXSAKSA-N 1 2 399.457 3.733 20 30 GHEDLO C=CCC[C@@H](NC(=O)NCC[N@@H+]1CCOC[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000440863020 853686611 /nfs/dbraw/zinc/68/66/11/853686611.db2.gz WNYBUDKAUQTFIP-MAUKXSAKSA-N 1 2 399.457 3.733 20 30 GHEDLO CC1(C)[C@H](NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C[C@H]1OCc1ccccc1 ZINC000330003059 862496856 /nfs/dbraw/zinc/49/68/56/862496856.db2.gz ZJQBHMMSLIQTHL-WOJBJXKFSA-N 1 2 382.508 3.887 20 30 GHEDLO CC1(C)[C@H](NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C[C@H]1OCc1ccccc1 ZINC000330003059 862496865 /nfs/dbraw/zinc/49/68/65/862496865.db2.gz ZJQBHMMSLIQTHL-WOJBJXKFSA-N 1 2 382.508 3.887 20 30 GHEDLO CCOc1ccc2c(c1)CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c1ccccc1)C2 ZINC000441071367 853887848 /nfs/dbraw/zinc/88/78/48/853887848.db2.gz XBONVUJILWUAKJ-SFHVURJKSA-N 1 2 377.488 3.779 20 30 GHEDLO CCOc1ccc2c(c1)CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c1ccccc1)C2 ZINC000441071367 853887852 /nfs/dbraw/zinc/88/78/52/853887852.db2.gz XBONVUJILWUAKJ-SFHVURJKSA-N 1 2 377.488 3.779 20 30 GHEDLO O=C(Nc1cnc2c(c1)CCCC2)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000328648219 854488962 /nfs/dbraw/zinc/48/89/62/854488962.db2.gz IBDATTKGYJKCME-KRWDZBQOSA-N 1 2 379.508 3.918 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)n2)C1 ZINC000328668501 854497482 /nfs/dbraw/zinc/49/74/82/854497482.db2.gz FDHNEBNJSPIGDY-XBVQOTNRSA-N 1 2 390.553 3.659 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)n2)C1 ZINC000328668501 854497486 /nfs/dbraw/zinc/49/74/86/854497486.db2.gz FDHNEBNJSPIGDY-XBVQOTNRSA-N 1 2 390.553 3.659 20 30 GHEDLO O=C(N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCc2cccc(O)c21)C1CCCCC1 ZINC000328798135 854560981 /nfs/dbraw/zinc/56/09/81/854560981.db2.gz WKVAGUBNSMBPAP-GOSISDBHSA-N 1 2 396.491 3.543 20 30 GHEDLO O=C(N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCc2cccc(O)c21)C1CCCCC1 ZINC000328798135 854560986 /nfs/dbraw/zinc/56/09/86/854560986.db2.gz WKVAGUBNSMBPAP-GOSISDBHSA-N 1 2 396.491 3.543 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCc3c[nH]nc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000328848810 854575270 /nfs/dbraw/zinc/57/52/70/854575270.db2.gz RERAIGNDIUKBIR-RYRKJORJSA-N 1 2 391.878 3.529 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCCc3c[nH]nc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000328848810 854575280 /nfs/dbraw/zinc/57/52/80/854575280.db2.gz RERAIGNDIUKBIR-RYRKJORJSA-N 1 2 391.878 3.529 20 30 GHEDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@H](C)c3ccc(C#N)cc3)c2C1 ZINC000045407170 854873408 /nfs/dbraw/zinc/87/34/08/854873408.db2.gz WLIZQGAVBJYWKU-MRXNPFEDSA-N 1 2 384.483 3.975 20 30 GHEDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@H](C)c3ccc(C#N)cc3)c2C1 ZINC000045407170 854873412 /nfs/dbraw/zinc/87/34/12/854873412.db2.gz WLIZQGAVBJYWKU-MRXNPFEDSA-N 1 2 384.483 3.975 20 30 GHEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3c(Cl)cccc3OC(F)F)C2)nc1 ZINC000590052899 855265188 /nfs/dbraw/zinc/26/51/88/855265188.db2.gz CDWZAXJHPKQQEX-ZDUSSCGKSA-N 1 2 379.794 3.861 20 30 GHEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3c(Cl)cccc3OC(F)F)C2)nc1 ZINC000590052899 855265195 /nfs/dbraw/zinc/26/51/95/855265195.db2.gz CDWZAXJHPKQQEX-ZDUSSCGKSA-N 1 2 379.794 3.861 20 30 GHEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(-c2ccccc2)cc1F ZINC000507782020 855749632 /nfs/dbraw/zinc/74/96/32/855749632.db2.gz BVKJOMHWEIVDRK-QGZVFWFLSA-N 1 2 387.462 3.865 20 30 GHEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(-c2ccccc2)cc1F ZINC000507782020 855749635 /nfs/dbraw/zinc/74/96/35/855749635.db2.gz BVKJOMHWEIVDRK-QGZVFWFLSA-N 1 2 387.462 3.865 20 30 GHEDLO COc1ccc(C)cc1NC(=O)[C@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507807467 856184783 /nfs/dbraw/zinc/18/47/83/856184783.db2.gz PAHCVMMAYLGIDW-KRWDZBQOSA-N 1 2 393.487 3.746 20 30 GHEDLO N#CC1(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)CCCCC1 ZINC000485348373 856374319 /nfs/dbraw/zinc/37/43/19/856374319.db2.gz HZRDPNSXWNPHQL-UHFFFAOYSA-N 1 2 376.464 3.736 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)c(C#N)c1C ZINC000111234144 856872041 /nfs/dbraw/zinc/87/20/41/856872041.db2.gz QHAZWDFIMCGTGH-AWEZNQCLSA-N 1 2 391.475 3.851 20 30 GHEDLO COCC[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)Cc1ccc(C#N)cc1 ZINC000063754395 857050475 /nfs/dbraw/zinc/05/04/75/857050475.db2.gz KSQOFXCABHJMQF-UHFFFAOYSA-N 1 2 392.286 3.952 20 30 GHEDLO COCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)Cc1ccc(C#N)cc1 ZINC000063754395 857050480 /nfs/dbraw/zinc/05/04/80/857050480.db2.gz KSQOFXCABHJMQF-UHFFFAOYSA-N 1 2 392.286 3.952 20 30 GHEDLO N#Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)o1 ZINC000428101674 857099193 /nfs/dbraw/zinc/09/91/93/857099193.db2.gz BDOWWKBUPWUIAG-UHFFFAOYSA-N 1 2 395.459 3.977 20 30 GHEDLO C#CCCNC(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000733356245 862889094 /nfs/dbraw/zinc/88/90/94/862889094.db2.gz NPTUDLVOMYRLNB-OAQYLSRUSA-N 1 2 381.907 3.780 20 30 GHEDLO Cc1ccnc(OC2CC[NH+]([C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)c1 ZINC000542981159 857382552 /nfs/dbraw/zinc/38/25/52/857382552.db2.gz OBNFJKSYMUBMOJ-HNNXBMFYSA-N 1 2 398.894 3.786 20 30 GHEDLO C[C@H]([NH2+][C@H](Cc1ccccc1)c1ncco1)C(=O)N(CCC#N)c1ccccc1 ZINC000594055870 857857427 /nfs/dbraw/zinc/85/74/27/857857427.db2.gz OPLQSPINDKTYTE-GHTZIAJQSA-N 1 2 388.471 3.883 20 30 GHEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168597104 858081637 /nfs/dbraw/zinc/08/16/37/858081637.db2.gz RJWZLEUNJYWEKV-PMVMPFDFSA-N 1 2 395.499 3.845 20 30 GHEDLO COc1ccc([C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)c2ccccc2Cl)cc1 ZINC000132297131 858115776 /nfs/dbraw/zinc/11/57/76/858115776.db2.gz USICJQRBXJNSAY-YADHBBJMSA-N 1 2 397.906 3.836 20 30 GHEDLO CC1(C)COCC[N@@H+]1CCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000171082400 863036556 /nfs/dbraw/zinc/03/65/56/863036556.db2.gz ADZDZOUBCWBPLM-UHFFFAOYSA-N 1 2 394.475 3.583 20 30 GHEDLO CC1(C)COCC[N@H+]1CCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000171082400 863036572 /nfs/dbraw/zinc/03/65/72/863036572.db2.gz ADZDZOUBCWBPLM-UHFFFAOYSA-N 1 2 394.475 3.583 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H](CC#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000595570000 858556074 /nfs/dbraw/zinc/55/60/74/858556074.db2.gz JEQLBIMWOOFUOR-JEBQAFNWSA-N 1 2 378.879 3.560 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)N2CCC[C@H](CC#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000595570000 858556078 /nfs/dbraw/zinc/55/60/78/858556078.db2.gz JEQLBIMWOOFUOR-JEBQAFNWSA-N 1 2 378.879 3.560 20 30 GHEDLO COc1cc(OC)c2ncc(C#N)c(NCc3ccccc3-n3cc[nH+]c3)c2c1 ZINC000439172277 858653733 /nfs/dbraw/zinc/65/37/33/858653733.db2.gz RTVMHSFYAVADQG-UHFFFAOYSA-N 1 2 385.427 3.921 20 30 GHEDLO CC1(C)CO[C@@H](c2cccc(F)c2)C[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000595760007 858660401 /nfs/dbraw/zinc/66/04/01/858660401.db2.gz PFBSDUGMNKIIHU-QGZVFWFLSA-N 1 2 387.480 3.940 20 30 GHEDLO CC1(C)CO[C@@H](c2cccc(F)c2)C[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000595760007 858660411 /nfs/dbraw/zinc/66/04/11/858660411.db2.gz PFBSDUGMNKIIHU-QGZVFWFLSA-N 1 2 387.480 3.940 20 30 GHEDLO N#Cc1cccc(C2([NH2+]Cc3nc(-c4ccc(F)c(F)c4)no3)CCOCC2)c1 ZINC000595765736 858664293 /nfs/dbraw/zinc/66/42/93/858664293.db2.gz WVUXERZJEWQOFV-UHFFFAOYSA-N 1 2 396.397 3.682 20 30 GHEDLO N#CC[C@@H]1CCCN(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000596133689 858788207 /nfs/dbraw/zinc/78/82/07/858788207.db2.gz YPSUAIKGQHHXGG-MAUKXSAKSA-N 1 2 392.906 3.951 20 30 GHEDLO NC(=NOCc1c(Cl)cccc1Cl)c1cccc(C[NH+]2CCOCC2)c1 ZINC000060197361 858933566 /nfs/dbraw/zinc/93/35/66/858933566.db2.gz BEBIVTGPGGDALC-UHFFFAOYSA-N 1 2 394.302 3.663 20 30 GHEDLO C=CCN(CCc1ccco1)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000443571657 858962310 /nfs/dbraw/zinc/96/23/10/858962310.db2.gz DHEOIDGOYMZRPL-UHFFFAOYSA-N 1 2 387.911 3.731 20 30 GHEDLO C=CCN(CCc1ccco1)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000443571657 858962317 /nfs/dbraw/zinc/96/23/17/858962317.db2.gz DHEOIDGOYMZRPL-UHFFFAOYSA-N 1 2 387.911 3.731 20 30 GHEDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)[C@@H](C)CO1 ZINC000596710418 859024630 /nfs/dbraw/zinc/02/46/30/859024630.db2.gz LUBPIZYXDJKGRY-DLBZAZTESA-N 1 2 394.475 3.581 20 30 GHEDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)[C@@H](C)CO1 ZINC000596710418 859024643 /nfs/dbraw/zinc/02/46/43/859024643.db2.gz LUBPIZYXDJKGRY-DLBZAZTESA-N 1 2 394.475 3.581 20 30 GHEDLO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000494260973 881379516 /nfs/dbraw/zinc/37/95/16/881379516.db2.gz AZJZQLWPMHPWDP-DKSSEZFCSA-N 1 2 380.891 3.713 20 30 GHEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2cc(F)c(C#N)c(F)c2)C[C@@H](C)O1 ZINC000596826739 859110872 /nfs/dbraw/zinc/11/08/72/859110872.db2.gz BZVOZFXWVIAXNV-ZIAGYGMSSA-N 1 2 385.414 3.698 20 30 GHEDLO C=CCn1c(-c2ccco2)nn(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1=S ZINC000840112906 859196705 /nfs/dbraw/zinc/19/67/05/859196705.db2.gz CFLDSPYTTFTTRY-BRWVUGGUSA-N 1 2 388.537 3.833 20 30 GHEDLO C=CCn1c(-c2ccco2)nn(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1=S ZINC000840112906 859196710 /nfs/dbraw/zinc/19/67/10/859196710.db2.gz CFLDSPYTTFTTRY-BRWVUGGUSA-N 1 2 388.537 3.833 20 30 GHEDLO C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000499730542 859369816 /nfs/dbraw/zinc/36/98/16/859369816.db2.gz CAKKIGUMXVHCNL-RCOXNQKVSA-N 1 2 389.499 3.723 20 30 GHEDLO N#Cc1ccc(-c2cccc(CNc3cc(N4CCOCC4)nc[nH+]3)c2)s1 ZINC000764838823 859636501 /nfs/dbraw/zinc/63/65/01/859636501.db2.gz LPYFOVMLYQVKHC-UHFFFAOYSA-N 1 2 377.473 3.525 20 30 GHEDLO N#Cc1ccc(-c2cccc(CNc3cc(N4CCOCC4)[nH+]cn3)c2)s1 ZINC000764838823 859636505 /nfs/dbraw/zinc/63/65/05/859636505.db2.gz LPYFOVMLYQVKHC-UHFFFAOYSA-N 1 2 377.473 3.525 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)c2cc3ccccc3n2CC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000611217865 859653564 /nfs/dbraw/zinc/65/35/64/859653564.db2.gz PWZDUAZMLWFTSU-NQIIRXRSSA-N 1 2 394.425 3.618 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)c2cc3ccccc3n2CC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000611217865 859653568 /nfs/dbraw/zinc/65/35/68/859653568.db2.gz PWZDUAZMLWFTSU-NQIIRXRSSA-N 1 2 394.425 3.618 20 30 GHEDLO CC[C@H](c1nnc(SC[C@@H](O)CC2(C#N)CC2)n1C1CCCCC1)[NH+](C)C ZINC000601954292 859657278 /nfs/dbraw/zinc/65/72/78/859657278.db2.gz QQOMJHLKXZKJDQ-DLBZAZTESA-N 1 2 391.585 3.943 20 30 GHEDLO O=C(CCCn1cc[nH+]c1)OCc1c(F)c(F)c(C(F)(F)F)c(F)c1F ZINC000764900424 859666978 /nfs/dbraw/zinc/66/69/78/859666978.db2.gz UXOUFMHKSUQGND-UHFFFAOYSA-N 1 2 384.251 3.982 20 30 GHEDLO C=CCN(CC1CCCCC1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000483913091 859688444 /nfs/dbraw/zinc/68/84/44/859688444.db2.gz JBTSREUOURMAEV-QFIPXVFZSA-N 1 2 385.552 3.665 20 30 GHEDLO C=CCN(CC1CCCCC1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000483913091 859688452 /nfs/dbraw/zinc/68/84/52/859688452.db2.gz JBTSREUOURMAEV-QFIPXVFZSA-N 1 2 385.552 3.665 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+](C)[C@@H]2CCc3ccccc3C2)c1=S ZINC000764986248 859716036 /nfs/dbraw/zinc/71/60/36/859716036.db2.gz CFWAJNGBJUKYLC-GOSISDBHSA-N 1 2 392.532 3.504 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+](C)[C@@H]2CCc3ccccc3C2)c1=S ZINC000764986248 859716041 /nfs/dbraw/zinc/71/60/41/859716041.db2.gz CFWAJNGBJUKYLC-GOSISDBHSA-N 1 2 392.532 3.504 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+](C)[C@H]2CC[C@@H](SCC)C2)c1=S ZINC000765038184 859748204 /nfs/dbraw/zinc/74/82/04/859748204.db2.gz NMFPVAJIRVRCNE-LSDHHAIUSA-N 1 2 390.582 3.621 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+](C)[C@H]2CC[C@@H](SCC)C2)c1=S ZINC000765038184 859748211 /nfs/dbraw/zinc/74/82/11/859748211.db2.gz NMFPVAJIRVRCNE-LSDHHAIUSA-N 1 2 390.582 3.621 20 30 GHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c1=S ZINC000765084385 859772623 /nfs/dbraw/zinc/77/26/23/859772623.db2.gz ZCNCWXGZAJRMCR-ROUUACIJSA-N 1 2 385.537 3.511 20 30 GHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+]2CCC[C@H]3COCC[C@@H]32)c1=S ZINC000765084385 859772626 /nfs/dbraw/zinc/77/26/26/859772626.db2.gz ZCNCWXGZAJRMCR-ROUUACIJSA-N 1 2 385.537 3.511 20 30 GHEDLO N#Cc1ccccc1NC1CCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000602184415 859844330 /nfs/dbraw/zinc/84/43/30/859844330.db2.gz YFVJXHSGNVTNAN-OAQYLSRUSA-N 1 2 399.498 3.906 20 30 GHEDLO COc1ccc2ncc(C#N)c(OCc3cccc(C[NH+]4CCOCC4)c3)c2c1 ZINC000593444092 859847990 /nfs/dbraw/zinc/84/79/90/859847990.db2.gz VMNZJAGVHACWFK-UHFFFAOYSA-N 1 2 389.455 3.526 20 30 GHEDLO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC(OCc3ccccc3F)CC2)C1=O ZINC000091866574 859946546 /nfs/dbraw/zinc/94/65/46/859946546.db2.gz HGFIOGABIYGRAP-IBGZPJMESA-N 1 2 399.491 3.545 20 30 GHEDLO C=CC[N@@H+](CCOC)[C@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000484592486 860152397 /nfs/dbraw/zinc/15/23/97/860152397.db2.gz HPTOOLSOKCIRJJ-GFCCVEGCSA-N 1 2 381.448 3.550 20 30 GHEDLO C=CC[N@H+](CCOC)[C@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000484592486 860152404 /nfs/dbraw/zinc/15/24/04/860152404.db2.gz HPTOOLSOKCIRJJ-GFCCVEGCSA-N 1 2 381.448 3.550 20 30 GHEDLO C=CCn1c(-c2ccc[nH]2)nnc1N1CC[NH+]([C@H](C)c2ccc(F)cc2F)CC1 ZINC000508944846 860187524 /nfs/dbraw/zinc/18/75/24/860187524.db2.gz HJQGDAGNDKFMHH-OAHLLOKOSA-N 1 2 398.461 3.621 20 30 GHEDLO N#CC1(c2ccccc2)CCC([N@@H+]2CCN(c3ccc(F)cc3)C(=O)C2)CC1 ZINC001170394822 881513291 /nfs/dbraw/zinc/51/32/91/881513291.db2.gz BRJZZRSDBWHMSZ-UHFFFAOYSA-N 1 2 377.463 3.878 20 30 GHEDLO N#CC1(c2ccccc2)CCC([N@H+]2CCN(c3ccc(F)cc3)C(=O)C2)CC1 ZINC001170394822 881513385 /nfs/dbraw/zinc/51/33/85/881513385.db2.gz BRJZZRSDBWHMSZ-UHFFFAOYSA-N 1 2 377.463 3.878 20 30 GHEDLO C[C@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602911760 860344388 /nfs/dbraw/zinc/34/43/88/860344388.db2.gz IQMFGEILUNNDAV-CYBMUJFWSA-N 1 2 386.858 3.952 20 30 GHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+](C[C@H]2CCOC2)C2CC2)c1=S ZINC000153019968 881532536 /nfs/dbraw/zinc/53/25/36/881532536.db2.gz CUKCQFCLHZKSKM-MRXNPFEDSA-N 1 2 385.537 3.511 20 30 GHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+](C[C@H]2CCOC2)C2CC2)c1=S ZINC000153019968 881532552 /nfs/dbraw/zinc/53/25/52/881532552.db2.gz CUKCQFCLHZKSKM-MRXNPFEDSA-N 1 2 385.537 3.511 20 30 GHEDLO CCN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1ccc(C#N)c(Cl)c1 ZINC001127191744 860537472 /nfs/dbraw/zinc/53/74/72/860537472.db2.gz BHDNQPXEWKTMQL-UHFFFAOYSA-N 1 2 395.806 3.972 20 30 GHEDLO N#CC1(c2ccccc2)CCC([N@@H+]2CCn3nc(C(F)(F)F)nc3C2)CC1 ZINC001170379463 881553900 /nfs/dbraw/zinc/55/39/00/881553900.db2.gz ZMZXBDFNFZCHEQ-UHFFFAOYSA-N 1 2 375.398 3.517 20 30 GHEDLO N#CC1(c2ccccc2)CCC([N@H+]2CCn3nc(C(F)(F)F)nc3C2)CC1 ZINC001170379463 881553913 /nfs/dbraw/zinc/55/39/13/881553913.db2.gz ZMZXBDFNFZCHEQ-UHFFFAOYSA-N 1 2 375.398 3.517 20 30 GHEDLO CC(=O)N1CC[N@@H+]([C@H](C)C(=O)Nc2cc(F)ccc2C)CC12CCCCC2 ZINC000329026778 860957038 /nfs/dbraw/zinc/95/70/38/860957038.db2.gz JYIIDTGMSLIFEH-MRXNPFEDSA-N 1 2 375.488 3.978 20 30 GHEDLO CC(=O)N1CC[N@H+]([C@H](C)C(=O)Nc2cc(F)ccc2C)CC12CCCCC2 ZINC000329026778 860957052 /nfs/dbraw/zinc/95/70/52/860957052.db2.gz JYIIDTGMSLIFEH-MRXNPFEDSA-N 1 2 375.488 3.978 20 30 GHEDLO CC(C)N1C(=O)N[C@@H]2C[N@@H+](CC(=O)N[C@H](c3ccccc3)C3CCCC3)CC[C@@H]21 ZINC000329033131 860963250 /nfs/dbraw/zinc/96/32/50/860963250.db2.gz QIHLBDMAUJUHKU-RZUBCFFCSA-N 1 2 398.551 3.955 20 30 GHEDLO CC(C)N1C(=O)N[C@@H]2C[N@H+](CC(=O)N[C@H](c3ccccc3)C3CCCC3)CC[C@@H]21 ZINC000329033131 860963257 /nfs/dbraw/zinc/96/32/57/860963257.db2.gz QIHLBDMAUJUHKU-RZUBCFFCSA-N 1 2 398.551 3.955 20 30 GHEDLO N#Cc1cc(NC[C@H](c2ccc(Cl)cc2)[N@@H+]2CCc3sccc3C2)ncn1 ZINC000555812774 861053764 /nfs/dbraw/zinc/05/37/64/861053764.db2.gz YZNPYYHRRPCSPC-GOSISDBHSA-N 1 2 395.919 3.697 20 30 GHEDLO N#Cc1cc(NC[C@H](c2ccc(Cl)cc2)[N@H+]2CCc3sccc3C2)ncn1 ZINC000555812774 861053770 /nfs/dbraw/zinc/05/37/70/861053770.db2.gz YZNPYYHRRPCSPC-GOSISDBHSA-N 1 2 395.919 3.697 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@H]2CCCc3nn(C)cc32)C[C@H](C)O1 ZINC000329232843 861178546 /nfs/dbraw/zinc/17/85/46/861178546.db2.gz GJUWXGVLOVJVBA-JZXOWHBKSA-N 1 2 382.508 3.737 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@H]2CCCc3nn(C)cc32)C[C@H](C)O1 ZINC000329232843 861178548 /nfs/dbraw/zinc/17/85/48/861178548.db2.gz GJUWXGVLOVJVBA-JZXOWHBKSA-N 1 2 382.508 3.737 20 30 GHEDLO CC[C@H]1c2ccccc2CC[N@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000734003038 863915159 /nfs/dbraw/zinc/91/51/59/863915159.db2.gz WFLWAYKTEVFTIV-QUCCMNQESA-N 1 2 386.455 3.521 20 30 GHEDLO CC[C@H]1c2ccccc2CC[N@@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000734003038 863915166 /nfs/dbraw/zinc/91/51/66/863915166.db2.gz WFLWAYKTEVFTIV-QUCCMNQESA-N 1 2 386.455 3.521 20 30 GHEDLO CCC[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)Cc1ccc(C)cc1 ZINC000734149353 864011835 /nfs/dbraw/zinc/01/18/35/864011835.db2.gz IIBFBYKYHNOWQQ-LJQANCHMSA-N 1 2 388.471 3.732 20 30 GHEDLO CCC[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)Cc1ccc(C)cc1 ZINC000734149353 864011849 /nfs/dbraw/zinc/01/18/49/864011849.db2.gz IIBFBYKYHNOWQQ-LJQANCHMSA-N 1 2 388.471 3.732 20 30 GHEDLO COc1ncc(C[N@@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)s1 ZINC000897053984 864369061 /nfs/dbraw/zinc/36/90/61/864369061.db2.gz GAGHAKNWXHASBE-OCAPTIKFSA-N 1 2 396.303 3.755 20 30 GHEDLO COc1ncc(C[N@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)s1 ZINC000897053984 864369073 /nfs/dbraw/zinc/36/90/73/864369073.db2.gz GAGHAKNWXHASBE-OCAPTIKFSA-N 1 2 396.303 3.755 20 30 GHEDLO C=CC[N@@H+](CC(=O)Nc1c(C)nn(-c2ccccc2)c1C)Cc1cccc(C#N)c1 ZINC000063300841 864501191 /nfs/dbraw/zinc/50/11/91/864501191.db2.gz GMJPPTPDQMNSHT-UHFFFAOYSA-N 1 2 399.498 3.988 20 30 GHEDLO C=CC[N@H+](CC(=O)Nc1c(C)nn(-c2ccccc2)c1C)Cc1cccc(C#N)c1 ZINC000063300841 864501201 /nfs/dbraw/zinc/50/12/01/864501201.db2.gz GMJPPTPDQMNSHT-UHFFFAOYSA-N 1 2 399.498 3.988 20 30 GHEDLO CCN(c1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1)C(C)C ZINC000063854398 865468614 /nfs/dbraw/zinc/46/86/14/865468614.db2.gz LEJIWTNRJYVFMK-UHFFFAOYSA-N 1 2 390.531 3.751 20 30 GHEDLO C=C(C)Cn1c(-c2ccc(C)s2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000555263395 865796729 /nfs/dbraw/zinc/79/67/29/865796729.db2.gz AMRHFNBXVNKFFT-UHFFFAOYSA-N 1 2 398.536 3.510 20 30 GHEDLO CO[C@@H](C)c1cccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000608893314 865821559 /nfs/dbraw/zinc/82/15/59/865821559.db2.gz RMDPOQALLSNFCL-KRWDZBQOSA-N 1 2 378.476 3.615 20 30 GHEDLO C=C(C)[C@@H](CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)OCC ZINC000534423815 866774831 /nfs/dbraw/zinc/77/48/31/866774831.db2.gz IMBXJBQULQXNEW-PKOBYXMFSA-N 1 2 382.907 3.931 20 30 GHEDLO C=C(C)[C@@H](CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)OCC ZINC000534423815 866774847 /nfs/dbraw/zinc/77/48/47/866774847.db2.gz IMBXJBQULQXNEW-PKOBYXMFSA-N 1 2 382.907 3.931 20 30 GHEDLO C=C(C)[C@H](CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)OCC ZINC000534423812 866774930 /nfs/dbraw/zinc/77/49/30/866774930.db2.gz IMBXJBQULQXNEW-HKUYNNGSSA-N 1 2 382.907 3.931 20 30 GHEDLO C=C(C)[C@H](CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)OCC ZINC000534423812 866774940 /nfs/dbraw/zinc/77/49/40/866774940.db2.gz IMBXJBQULQXNEW-HKUYNNGSSA-N 1 2 382.907 3.931 20 30 GHEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3ccccc3SCC#N)CC2)cc1 ZINC000742109504 867051133 /nfs/dbraw/zinc/05/11/33/867051133.db2.gz QUPWAOXMFLSCBH-UHFFFAOYSA-N 1 2 394.544 3.767 20 30 GHEDLO C[C@@H]1C(=O)N(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)[C@H]1c1ccccc1 ZINC000743363588 868115505 /nfs/dbraw/zinc/11/55/05/868115505.db2.gz VJQCRJHMYHJOCM-HTAPYJJXSA-N 1 2 375.472 3.579 20 30 GHEDLO CCC[N@H+](Cc1nc2ccccc2c(=O)n1CC#N)[C@@H](C)c1ccccc1OC ZINC000744392101 868786599 /nfs/dbraw/zinc/78/65/99/868786599.db2.gz SSWNJVJTSUQNJQ-KRWDZBQOSA-N 1 2 390.487 3.902 20 30 GHEDLO CCC[N@@H+](Cc1nc2ccccc2c(=O)n1CC#N)[C@@H](C)c1ccccc1OC ZINC000744392101 868786600 /nfs/dbraw/zinc/78/66/00/868786600.db2.gz SSWNJVJTSUQNJQ-KRWDZBQOSA-N 1 2 390.487 3.902 20 30 GHEDLO Cc1ccc(O[C@H](C)C(=O)N2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)c(C)c1 ZINC000524591681 869317114 /nfs/dbraw/zinc/31/71/14/869317114.db2.gz POWAUORIALQFEU-VQTJNVASSA-N 1 2 391.515 3.848 20 30 GHEDLO C[C@@H]1CCc2c(sc3nc(C[N@H+](C)Cc4ccc(C#N)cc4)nc(N)c32)C1 ZINC000540078269 870403052 /nfs/dbraw/zinc/40/30/52/870403052.db2.gz LGTLCIXCQOVOEL-CYBMUJFWSA-N 1 2 377.517 3.902 20 30 GHEDLO C[C@@H]1CCc2c(sc3nc(C[N@@H+](C)Cc4ccc(C#N)cc4)nc(N)c32)C1 ZINC000540078269 870403066 /nfs/dbraw/zinc/40/30/66/870403066.db2.gz LGTLCIXCQOVOEL-CYBMUJFWSA-N 1 2 377.517 3.902 20 30 GHEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)o2)c1 ZINC000441180314 870853513 /nfs/dbraw/zinc/85/35/13/870853513.db2.gz WIMYHBXKFUGRMI-GOSISDBHSA-N 1 2 388.427 3.717 20 30 GHEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)o2)c1 ZINC000441180314 870853529 /nfs/dbraw/zinc/85/35/29/870853529.db2.gz WIMYHBXKFUGRMI-GOSISDBHSA-N 1 2 388.427 3.717 20 30 GHEDLO CC(C)(C#N)CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C(F)(F)F)C1 ZINC000181400035 870983354 /nfs/dbraw/zinc/98/33/54/870983354.db2.gz GPOKBSGLEGDLPG-IAGOWNOFSA-N 1 2 399.432 3.992 20 30 GHEDLO CC(C)(C#N)CCC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)C(F)(F)F)C1 ZINC000181400035 870983364 /nfs/dbraw/zinc/98/33/64/870983364.db2.gz GPOKBSGLEGDLPG-IAGOWNOFSA-N 1 2 399.432 3.992 20 30 GHEDLO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)c1ccc(O)c(C#N)c1 ZINC001193504344 871146460 /nfs/dbraw/zinc/14/64/60/871146460.db2.gz BRFFZROXVLYYEL-UHFFFAOYSA-N 1 2 398.422 3.521 20 30 GHEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCN(c2cccc3cnccc32)C[C@@H]1C ZINC000447388907 871519832 /nfs/dbraw/zinc/51/98/32/871519832.db2.gz XWBOEGAZOJZESX-ZWKOTPCHSA-N 1 2 399.498 3.644 20 30 GHEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCN(c2cccc3cnccc32)C[C@@H]1C ZINC000447388907 871519842 /nfs/dbraw/zinc/51/98/42/871519842.db2.gz XWBOEGAZOJZESX-ZWKOTPCHSA-N 1 2 399.498 3.644 20 30 GHEDLO C[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)c1cccc(C#N)c1 ZINC000462073144 871571531 /nfs/dbraw/zinc/57/15/31/871571531.db2.gz WDCTWIVQPFQQJK-YJBOKZPZSA-N 1 2 383.442 3.721 20 30 GHEDLO C[C@H](C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)c1cccc(C#N)c1 ZINC000462073144 871571542 /nfs/dbraw/zinc/57/15/42/871571542.db2.gz WDCTWIVQPFQQJK-YJBOKZPZSA-N 1 2 383.442 3.721 20 30 GHEDLO CCc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CCc4cc(C#N)ccc43)CC2)s1 ZINC000618843260 872054888 /nfs/dbraw/zinc/05/48/88/872054888.db2.gz VKWHGIDMVYGCQJ-NRFANRHFSA-N 1 2 394.544 3.697 20 30 GHEDLO COc1cc(C#N)ccc1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000619003614 872232642 /nfs/dbraw/zinc/23/26/42/872232642.db2.gz DVMXFVIJVCVRPM-UHFFFAOYSA-N 1 2 379.464 3.511 20 30 GHEDLO CN(C)C(=O)Sc1ccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)cc1 ZINC000121410059 872605518 /nfs/dbraw/zinc/60/55/18/872605518.db2.gz ZBCMBSZSKLZBQQ-NRFANRHFSA-N 1 2 394.544 3.843 20 30 GHEDLO COc1ccc(CN(c2cc[nH+]cc2)S(=O)(=O)c2cccc(CC#N)c2)cc1 ZINC000619494552 872700178 /nfs/dbraw/zinc/70/01/78/872700178.db2.gz NJEKEFYHFXPPPG-UHFFFAOYSA-N 1 2 393.468 3.552 20 30 GHEDLO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)N[C@@](C)(C#N)C2CC2)ccc1Br ZINC000619532059 872715200 /nfs/dbraw/zinc/71/52/00/872715200.db2.gz QBNRUIVFGHYOSY-HKUYNNGSSA-N 1 2 390.325 3.703 20 30 GHEDLO Cc1cc([C@@H]2CCC[N@H+]2CC(=O)N[C@@](C)(C#N)C2CC2)ccc1Br ZINC000619532059 872715209 /nfs/dbraw/zinc/71/52/09/872715209.db2.gz QBNRUIVFGHYOSY-HKUYNNGSSA-N 1 2 390.325 3.703 20 30 GHEDLO N#Cc1ccc(C2=CC[N@H+](CN3C[C@H](c4cccc(F)c4)CC3=O)CC2)cc1 ZINC000767986355 873001836 /nfs/dbraw/zinc/00/18/36/873001836.db2.gz KGXYGFWHSZBVET-OAQYLSRUSA-N 1 2 375.447 3.760 20 30 GHEDLO N#Cc1ccc(C2=CC[N@@H+](CN3C[C@H](c4cccc(F)c4)CC3=O)CC2)cc1 ZINC000767986355 873001851 /nfs/dbraw/zinc/00/18/51/873001851.db2.gz KGXYGFWHSZBVET-OAQYLSRUSA-N 1 2 375.447 3.760 20 30 GHEDLO COc1cc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c([N+](=O)[O-])cc1F ZINC000464112728 873249292 /nfs/dbraw/zinc/24/92/92/873249292.db2.gz HQNRMEQDZRQUSU-UHFFFAOYSA-N 1 2 385.395 3.658 20 30 GHEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC001197317845 873704344 /nfs/dbraw/zinc/70/43/44/873704344.db2.gz XEAKSDDEORYDRB-CCKFTAQKSA-N 1 2 380.879 3.502 20 30 GHEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC001197317845 873704357 /nfs/dbraw/zinc/70/43/57/873704357.db2.gz XEAKSDDEORYDRB-CCKFTAQKSA-N 1 2 380.879 3.502 20 30 GHEDLO CC(C)(C)c1cc(NS(=O)(=O)c2ccc(Br)c(C#N)c2)cc[nH+]1 ZINC001197281455 873709608 /nfs/dbraw/zinc/70/96/08/873709608.db2.gz FYNDQDNMMNAZAN-UHFFFAOYSA-N 1 2 394.294 3.814 20 30 GHEDLO C#C[C@H]([NH2+][C@@H](C(=O)Nc1ccccc1OCC)c1ccccc1)[C@@H]1CCCO1 ZINC000775788137 874046547 /nfs/dbraw/zinc/04/65/47/874046547.db2.gz CXSSBGCUZXNUMX-RCZSKKKRSA-N 1 2 378.472 3.536 20 30 GHEDLO C[C@@H]1C[C@H]1c1ccc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)o1 ZINC000508634490 882817112 /nfs/dbraw/zinc/81/71/12/882817112.db2.gz WCPZQZCDFQLZMP-GDBMZVCRSA-N 1 2 378.432 3.845 20 30 GHEDLO C#C[C@H](C)[N@H+](C)CC(=O)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1 ZINC000769962976 874367529 /nfs/dbraw/zinc/36/75/29/874367529.db2.gz NMPNNMUSKVSNPA-MAUKXSAKSA-N 1 2 375.428 3.657 20 30 GHEDLO C#C[C@H](C)[N@@H+](C)CC(=O)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1 ZINC000769962976 874367546 /nfs/dbraw/zinc/36/75/46/874367546.db2.gz NMPNNMUSKVSNPA-MAUKXSAKSA-N 1 2 375.428 3.657 20 30 GHEDLO COc1cccc(-n2nc(C)c([C@H]3COCC[N@@H+]3CCC(C)(C)C#N)c2C)c1 ZINC000541858711 874402638 /nfs/dbraw/zinc/40/26/38/874402638.db2.gz QYBZXLLAIKMMMB-HXUWFJFHSA-N 1 2 382.508 3.811 20 30 GHEDLO COc1cccc(-n2nc(C)c([C@H]3COCC[N@H+]3CCC(C)(C)C#N)c2C)c1 ZINC000541858711 874402642 /nfs/dbraw/zinc/40/26/42/874402642.db2.gz QYBZXLLAIKMMMB-HXUWFJFHSA-N 1 2 382.508 3.811 20 30 GHEDLO C[C@@H](C#N)CNC(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000541945846 874576683 /nfs/dbraw/zinc/57/66/83/874576683.db2.gz XTEPOLJRMXDAQM-UWJYYQICSA-N 1 2 396.922 3.916 20 30 GHEDLO N#Cc1ccc(NC(=S)N2CCC(n3cc[nH+]c3)CC2)c(Br)c1 ZINC001201123164 875537429 /nfs/dbraw/zinc/53/74/29/875537429.db2.gz GXGWLWPBUHLPPR-UHFFFAOYSA-N 1 2 390.310 3.551 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(Nc3ccc(C#N)cc3F)c[nH+]2)C1 ZINC001201561560 875753435 /nfs/dbraw/zinc/75/34/35/875753435.db2.gz KVSGNJYGVMXYBW-MRXNPFEDSA-N 1 2 397.454 3.939 20 30 GHEDLO COc1cccc([C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)c2ccccc2Cl)c1 ZINC000172921610 876016264 /nfs/dbraw/zinc/01/62/64/876016264.db2.gz FWQABWCNFOTXPZ-YADHBBJMSA-N 1 2 397.906 3.836 20 30 GHEDLO CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000537659340 883007186 /nfs/dbraw/zinc/00/71/86/883007186.db2.gz SZNVQNJBJDVLFI-SFHVURJKSA-N 1 2 385.309 3.989 20 30 GHEDLO C[C@@H]1CCCC[C@@H]1NC(=O)CO[NH+]=C(N)c1ccc(OCc2ccccc2)cc1 ZINC000109148678 876391475 /nfs/dbraw/zinc/39/14/75/876391475.db2.gz XLVLHDLFFFQNLF-UTKZUKDTSA-N 1 2 395.503 3.597 20 30 GHEDLO CC(C)c1nc(CO[NH+]=C(N)c2ccc(COc3ccccc3F)cc2)no1 ZINC000109062727 876626481 /nfs/dbraw/zinc/62/64/81/876626481.db2.gz WYZMEWHTHKXSAU-UHFFFAOYSA-N 1 2 384.411 3.748 20 30 GHEDLO N#CCSCCCSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000174001409 876769346 /nfs/dbraw/zinc/76/93/46/876769346.db2.gz WJHKYLQWUXJUKX-UHFFFAOYSA-N 1 2 387.578 3.661 20 30 GHEDLO CC[C@@H](C[N@H+](C)Cn1cccc(C#N)c1=O)Oc1ccc(Cl)c(Cl)c1 ZINC000787243576 877259908 /nfs/dbraw/zinc/25/99/08/877259908.db2.gz AFEPVXBGAVSBKH-AWEZNQCLSA-N 1 2 380.275 3.774 20 30 GHEDLO CC[C@@H](C[N@@H+](C)Cn1cccc(C#N)c1=O)Oc1ccc(Cl)c(Cl)c1 ZINC000787243576 877259918 /nfs/dbraw/zinc/25/99/18/877259918.db2.gz AFEPVXBGAVSBKH-AWEZNQCLSA-N 1 2 380.275 3.774 20 30 GHEDLO OC[C@@]1(F)C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1c1ccccc1 ZINC000451253338 877668555 /nfs/dbraw/zinc/66/85/55/877668555.db2.gz AHOXRYYFYBCFNE-PMACEKPBSA-N 1 2 377.381 3.857 20 30 GHEDLO OC[C@@]1(F)C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1c1ccccc1 ZINC000451253338 877668561 /nfs/dbraw/zinc/66/85/61/877668561.db2.gz AHOXRYYFYBCFNE-PMACEKPBSA-N 1 2 377.381 3.857 20 30 GHEDLO OC[C@]1(F)C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1c1ccccc1 ZINC000451277932 877701423 /nfs/dbraw/zinc/70/14/23/877701423.db2.gz BRHMGFBNYMIUPW-WOJBJXKFSA-N 1 2 393.380 3.737 20 30 GHEDLO OC[C@]1(F)C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1c1ccccc1 ZINC000451277932 877701436 /nfs/dbraw/zinc/70/14/36/877701436.db2.gz BRHMGFBNYMIUPW-WOJBJXKFSA-N 1 2 393.380 3.737 20 30 GHEDLO N#Cc1ccccc1COc1cccc(C[NH2+][C@H](C(N)=O)c2ccc(F)cc2)c1 ZINC000130801558 877957302 /nfs/dbraw/zinc/95/73/02/877957302.db2.gz PWTHBDZGVRIDQR-QFIPXVFZSA-N 1 2 389.430 3.593 20 30 GHEDLO COc1ccc(OCc2nc(C[NH2+]Cc3ccc(OC)c(C#N)c3)cs2)cc1 ZINC000746742150 877981153 /nfs/dbraw/zinc/98/11/53/877981153.db2.gz PNJLAGOILMCFIX-UHFFFAOYSA-N 1 2 395.484 3.901 20 30 GHEDLO C#CCOc1ccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000788289289 877998807 /nfs/dbraw/zinc/99/88/07/877998807.db2.gz AGXULXDYCWRDHX-PMACEKPBSA-N 1 2 385.414 3.544 20 30 GHEDLO C#CCOc1ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000788289289 877998812 /nfs/dbraw/zinc/99/88/12/877998812.db2.gz AGXULXDYCWRDHX-PMACEKPBSA-N 1 2 385.414 3.544 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c(C#N)c1C ZINC000451553204 878137112 /nfs/dbraw/zinc/13/71/12/878137112.db2.gz XVFXGHQALLALSU-WMLDXEAASA-N 1 2 396.447 3.883 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c(C#N)c1C ZINC000451553204 878137122 /nfs/dbraw/zinc/13/71/22/878137122.db2.gz XVFXGHQALLALSU-WMLDXEAASA-N 1 2 396.447 3.883 20 30 GHEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c(C#N)c1C ZINC000451554141 878140953 /nfs/dbraw/zinc/14/09/53/878140953.db2.gz ZJLOQCRKNZDIAX-INIZCTEOSA-N 1 2 398.488 3.963 20 30 GHEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c(C#N)c1C ZINC000451554141 878140962 /nfs/dbraw/zinc/14/09/62/878140962.db2.gz ZJLOQCRKNZDIAX-INIZCTEOSA-N 1 2 398.488 3.963 20 30 GHEDLO COc1ccc(CC(N)=[NH+]OCc2ccc(C#N)cc2C(F)(F)F)cc1OC ZINC000853657731 879207500 /nfs/dbraw/zinc/20/75/00/879207500.db2.gz IOAFAXHNXRAWID-UHFFFAOYSA-N 1 2 393.365 3.835 20 30 GHEDLO COCCN(C)c1ccc(C=[NH+]Nc2ccc(Br)cc2F)cn1 ZINC000790161025 879498927 /nfs/dbraw/zinc/49/89/27/879498927.db2.gz ACHSYVVESDEZAG-UHFFFAOYSA-N 1 2 381.249 3.512 20 30 GHEDLO CC[C@H]1CN(c2ccccc2)CC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000184016609 880204858 /nfs/dbraw/zinc/20/48/58/880204858.db2.gz NGPNVHHYHAPAED-SFHVURJKSA-N 1 2 394.544 3.842 20 30 GHEDLO CC[C@H]1CN(c2ccccc2)CC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000184016609 880204864 /nfs/dbraw/zinc/20/48/64/880204864.db2.gz NGPNVHHYHAPAED-SFHVURJKSA-N 1 2 394.544 3.842 20 30 GHEDLO CC(=O)Oc1ccc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cc1 ZINC000791622976 880548182 /nfs/dbraw/zinc/54/81/82/880548182.db2.gz FTPITAXLMAFMLA-OAQYLSRUSA-N 1 2 383.879 3.648 20 30 GHEDLO CC(C)(C)OC(=O)O[C@H]1CC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC001137632682 883287035 /nfs/dbraw/zinc/28/70/35/883287035.db2.gz IWYRFSLJQAABPS-AWEZNQCLSA-N 1 2 381.270 3.847 20 30 GHEDLO CC(C)(C)OC(=O)O[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC001137632682 883287047 /nfs/dbraw/zinc/28/70/47/883287047.db2.gz IWYRFSLJQAABPS-AWEZNQCLSA-N 1 2 381.270 3.847 20 30 GHEDLO N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(n4cc[nH+]c4)CC3)cn2)cc1 ZINC000609553855 883366803 /nfs/dbraw/zinc/36/68/03/883366803.db2.gz MGNGYUNYEPNUSM-UHFFFAOYSA-N 1 2 388.431 3.811 20 30 GHEDLO Cn1cc[nH+]c1C[C@H](NC(=O)Nc1ccc(F)cc1OCC#N)c1ccccc1 ZINC000761677601 883415178 /nfs/dbraw/zinc/41/51/78/883415178.db2.gz QWJQHGXMPWGOSL-SFHVURJKSA-N 1 2 393.422 3.567 20 30 GHEDLO Cn1cc[nH+]c1C[C@H](NC(=O)CSCc1ccc(C#N)cc1)c1ccccc1 ZINC000610304244 883540088 /nfs/dbraw/zinc/54/00/88/883540088.db2.gz PYBXSKLYNULTPL-FQEVSTJZSA-N 1 2 390.512 3.625 20 30 GHEDLO C#C[C@H](NC(=O)NCc1[nH+]cc(C)c(OC)c1C)c1ccc(Cl)cc1F ZINC000805028964 883540618 /nfs/dbraw/zinc/54/06/18/883540618.db2.gz FBFPYCAFHLQEGG-INIZCTEOSA-N 1 2 375.831 3.673 20 30 GHEDLO N#Cc1cc(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)cnc1C(F)(F)F ZINC000551341911 883705895 /nfs/dbraw/zinc/70/58/95/883705895.db2.gz XXLYMYGOEVMJCR-UHFFFAOYSA-N 1 2 396.332 3.934 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)c(C#N)c1C ZINC000533928350 883782853 /nfs/dbraw/zinc/78/28/53/883782853.db2.gz TVRVAUJNICZVHM-GUYCJALGSA-N 1 2 387.867 3.902 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)c(C#N)c1C ZINC000533928350 883782860 /nfs/dbraw/zinc/78/28/60/883782860.db2.gz TVRVAUJNICZVHM-GUYCJALGSA-N 1 2 387.867 3.902 20 30 GHEDLO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000026467408 884260483 /nfs/dbraw/zinc/26/04/83/884260483.db2.gz DGYMSPJIOXBDOF-QGZVFWFLSA-N 1 2 396.922 3.665 20 30 GHEDLO CC(C)Oc1ccc(CN2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])cc1 ZINC000914596976 884272316 /nfs/dbraw/zinc/27/23/16/884272316.db2.gz XSZIJTAQWVJGAW-UHFFFAOYSA-N 1 2 390.487 3.634 20 30 GHEDLO CN(CCc1ccc(F)cc1)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183831910 912837724 /nfs/dbraw/zinc/83/77/24/912837724.db2.gz RRRWHMQDKUICLA-QFIPXVFZSA-N 1 2 379.479 3.753 20 30 GHEDLO CN(CCc1ccc(F)cc1)C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183831910 912837742 /nfs/dbraw/zinc/83/77/42/912837742.db2.gz RRRWHMQDKUICLA-QFIPXVFZSA-N 1 2 379.479 3.753 20 30 GHEDLO Cc1cc(Br)cn2c(/C=C\C(=O)c3cn4c(n3)CCCC4)c[nH+]c12 ZINC000806563995 884816076 /nfs/dbraw/zinc/81/60/76/884816076.db2.gz HACFDUOJZWCEER-WAYWQWQTSA-N 1 2 385.265 3.834 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000193310856 885316931 /nfs/dbraw/zinc/31/69/31/885316931.db2.gz CZJQQVRBBGCJIA-UHFFFAOYSA-N 1 2 383.879 3.831 20 30 GHEDLO CSc1cccc(NC(=O)C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000104716008 885573612 /nfs/dbraw/zinc/57/36/12/885573612.db2.gz XGAPDHYRFOOGEL-UHFFFAOYSA-N 1 2 381.501 3.762 20 30 GHEDLO N#CCOc1cccc(CC(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)c1 ZINC000807948217 885886848 /nfs/dbraw/zinc/88/68/48/885886848.db2.gz ALUPEQQPCXNPLF-GOSISDBHSA-N 1 2 392.503 3.576 20 30 GHEDLO N#CCOc1cccc(CC(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)c1 ZINC000807948217 885886864 /nfs/dbraw/zinc/88/68/64/885886864.db2.gz ALUPEQQPCXNPLF-GOSISDBHSA-N 1 2 392.503 3.576 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000556687459 885902939 /nfs/dbraw/zinc/90/29/39/885902939.db2.gz XEMZQDLDPDEBLQ-UXHICEINSA-N 1 2 396.441 3.570 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000556687459 885902949 /nfs/dbraw/zinc/90/29/49/885902949.db2.gz XEMZQDLDPDEBLQ-UXHICEINSA-N 1 2 396.441 3.570 20 30 GHEDLO N#C[C@@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1cccc(Br)c1 ZINC000117777639 886111251 /nfs/dbraw/zinc/11/12/51/886111251.db2.gz MWCYBTWBHRKTHQ-QGZVFWFLSA-N 1 2 381.233 3.629 20 30 GHEDLO C[C@H]1CN(c2ccc(NC3CCN(c4ccc(C#N)cc4)CC3)c[nH+]2)C[C@H](C)O1 ZINC000556878005 886467794 /nfs/dbraw/zinc/46/77/94/886467794.db2.gz JMOILCBVTFGNQX-ROUUACIJSA-N 1 2 391.519 3.648 20 30 GHEDLO C[C@](C#N)(NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)C1CCCCC1 ZINC000550748942 886609711 /nfs/dbraw/zinc/60/97/11/886609711.db2.gz YYEUFGSGLNBPPY-JOCHJYFZSA-N 1 2 393.491 3.504 20 30 GHEDLO C#CCNC(=O)NC[C@@H](c1ccc(SC)cc1)[N@@H+]1CCc2sccc2C1 ZINC000915694241 887324176 /nfs/dbraw/zinc/32/41/76/887324176.db2.gz VTFQBOSSPVKKFQ-SFHVURJKSA-N 1 2 385.558 3.502 20 30 GHEDLO C#CCNC(=O)NC[C@@H](c1ccc(SC)cc1)[N@H+]1CCc2sccc2C1 ZINC000915694241 887324181 /nfs/dbraw/zinc/32/41/81/887324181.db2.gz VTFQBOSSPVKKFQ-SFHVURJKSA-N 1 2 385.558 3.502 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000609233788 888136321 /nfs/dbraw/zinc/13/63/21/888136321.db2.gz ICLGPBBSSDXDBE-DNVCBOLYSA-N 1 2 395.528 3.899 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000609233788 888136323 /nfs/dbraw/zinc/13/63/23/888136323.db2.gz ICLGPBBSSDXDBE-DNVCBOLYSA-N 1 2 395.528 3.899 20 30 GHEDLO Cc1c(C#N)c2[nH]c3ccccc3n2c(=O)c1C=[NH+]Nc1cccc2ncccc21 ZINC000915963829 888603105 /nfs/dbraw/zinc/60/31/05/888603105.db2.gz NEIDBLQLJPGQDX-UHFFFAOYSA-N 1 2 392.422 3.955 20 30 GHEDLO C=C1CC[NH+](CC(=O)Nc2ccc(C(=O)Nc3ccc(OCC)cc3)cc2)CC1 ZINC000532960634 889433437 /nfs/dbraw/zinc/43/34/37/889433437.db2.gz YNOKEAQINWPLOS-UHFFFAOYSA-N 1 2 393.487 3.928 20 30 GHEDLO CC[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000454757229 889695093 /nfs/dbraw/zinc/69/50/93/889695093.db2.gz JJSQZALWGURNPD-JOQQVMPUSA-N 1 2 392.906 3.996 20 30 GHEDLO CC[N@H+]1CC[C@@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000454757229 889695104 /nfs/dbraw/zinc/69/51/04/889695104.db2.gz JJSQZALWGURNPD-JOQQVMPUSA-N 1 2 392.906 3.996 20 30 GHEDLO C#CCN(C)C(=O)NC[C@H](c1ccc(SC)cc1)[N@@H+]1CCc2sccc2C1 ZINC000812005187 890228853 /nfs/dbraw/zinc/22/88/53/890228853.db2.gz CRVVSYWWRBCENN-LJQANCHMSA-N 1 2 399.585 3.844 20 30 GHEDLO C#CCN(C)C(=O)NC[C@H](c1ccc(SC)cc1)[N@H+]1CCc2sccc2C1 ZINC000812005187 890228868 /nfs/dbraw/zinc/22/88/68/890228868.db2.gz CRVVSYWWRBCENN-LJQANCHMSA-N 1 2 399.585 3.844 20 30 GHEDLO C#CCN(C)C(=O)NC[C@@H](c1ccc(SC)cc1)[N@@H+]1CCc2sccc2C1 ZINC000812005182 890229567 /nfs/dbraw/zinc/22/95/67/890229567.db2.gz CRVVSYWWRBCENN-IBGZPJMESA-N 1 2 399.585 3.844 20 30 GHEDLO C#CCN(C)C(=O)NC[C@@H](c1ccc(SC)cc1)[N@H+]1CCc2sccc2C1 ZINC000812005182 890229586 /nfs/dbraw/zinc/22/95/86/890229586.db2.gz CRVVSYWWRBCENN-IBGZPJMESA-N 1 2 399.585 3.844 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(OCCc3ccccc3)CC2)c(C#N)c1C ZINC000533436192 890560006 /nfs/dbraw/zinc/56/00/06/890560006.db2.gz XUCNCBMPZFJMCV-KRWDZBQOSA-N 1 2 395.503 3.819 20 30 GHEDLO CCCCCCC[C@]1(C)NC(=O)N(N=Cc2ccc(-n3cc[nH+]c3)cc2)C1=O ZINC000917027928 890760546 /nfs/dbraw/zinc/76/05/46/890760546.db2.gz PFAWVDCIKQOBNF-NRFANRHFSA-N 1 2 381.480 3.877 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)c1C ZINC000065963539 890796230 /nfs/dbraw/zinc/79/62/30/890796230.db2.gz AIEAQVKTKFYMDT-UHFFFAOYSA-N 1 2 385.552 3.635 20 30 GHEDLO C#C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccc(F)cc1 ZINC000812895990 891111776 /nfs/dbraw/zinc/11/17/76/891111776.db2.gz SFIZCWZRBAWKRY-UFYCRDLUSA-N 1 2 387.405 3.523 20 30 GHEDLO C#C[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)c1ccc(F)cc1 ZINC000812895990 891111781 /nfs/dbraw/zinc/11/17/81/891111781.db2.gz SFIZCWZRBAWKRY-UFYCRDLUSA-N 1 2 387.405 3.523 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+](C)CC2CCOCC2)c1=S ZINC000124680882 891839292 /nfs/dbraw/zinc/83/92/92/891839292.db2.gz GVRXXTGILGOWNV-UHFFFAOYSA-N 1 2 376.501 3.722 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+](C)CC2CCOCC2)c1=S ZINC000124680882 891839310 /nfs/dbraw/zinc/83/93/10/891839310.db2.gz GVRXXTGILGOWNV-UHFFFAOYSA-N 1 2 376.501 3.722 20 30 GHEDLO CCOC(=O)c1ccc(C#N)c(SCc2ccc(-n3cc[nH+]c3)cc2C)n1 ZINC000475997902 891972482 /nfs/dbraw/zinc/97/24/82/891972482.db2.gz WTVHYHAQVASVBI-UHFFFAOYSA-N 1 2 378.457 3.916 20 30 GHEDLO N#Cc1csc(C[NH+]2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)n1 ZINC000814176757 892336510 /nfs/dbraw/zinc/33/65/10/892336510.db2.gz TYDGLKUGKKUKNJ-RTBURBONSA-N 1 2 396.516 3.542 20 30 GHEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@H]2C[C@H](c3ccc(F)cc3)C2)CC1=O ZINC000814183881 892378005 /nfs/dbraw/zinc/37/80/05/892378005.db2.gz CILLMYSLHVRQBI-JCNLHEQBSA-N 1 2 390.462 3.731 20 30 GHEDLO COC(=O)c1cccc(C[N@H+](C)Cc2cccc(OC(F)(F)F)c2)c1C#N ZINC000533762739 892854568 /nfs/dbraw/zinc/85/45/68/892854568.db2.gz ZHEGGASBESGMLE-UHFFFAOYSA-N 1 2 378.350 3.875 20 30 GHEDLO COC(=O)c1cccc(C[N@@H+](C)Cc2cccc(OC(F)(F)F)c2)c1C#N ZINC000533762739 892854584 /nfs/dbraw/zinc/85/45/84/892854584.db2.gz ZHEGGASBESGMLE-UHFFFAOYSA-N 1 2 378.350 3.875 20 30 GHEDLO C=CC[S@](=O)(=NC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21)c1ccccc1 ZINC001134862478 893431618 /nfs/dbraw/zinc/43/16/18/893431618.db2.gz XTDCUNYIXGDSSR-HHHXNRCGSA-N 1 2 389.427 3.863 20 30 GHEDLO N#Cc1cnc(Cl)c(C[N@@H+]2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c1 ZINC000877490707 893641865 /nfs/dbraw/zinc/64/18/65/893641865.db2.gz DRQDFOXSXAEDQU-QGZVFWFLSA-N 1 2 398.894 3.745 20 30 GHEDLO N#Cc1cnc(Cl)c(C[N@H+]2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c1 ZINC000877490707 893641876 /nfs/dbraw/zinc/64/18/76/893641876.db2.gz DRQDFOXSXAEDQU-QGZVFWFLSA-N 1 2 398.894 3.745 20 30 GHEDLO N#Cc1cnc(Cl)c(C[NH2+][C@H]2CCOc3c(Br)cccc32)c1 ZINC000877498488 893647650 /nfs/dbraw/zinc/64/76/50/893647650.db2.gz PYWRSMCQRWYYGC-AWEZNQCLSA-N 1 2 378.657 3.983 20 30 GHEDLO C#CCC[NH+]1CCN(C(=O)c2csc(-c3cccc4ccccc43)n2)CC1 ZINC000778255088 893724232 /nfs/dbraw/zinc/72/42/32/893724232.db2.gz ANWKOXSYSJQNPK-UHFFFAOYSA-N 1 2 375.497 3.744 20 30 GHEDLO CC(=O)[C@@](C#N)(CC[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000878271296 894145023 /nfs/dbraw/zinc/14/50/23/894145023.db2.gz DARAPQCTZSIYBV-RPWUZVMVSA-N 1 2 375.516 3.633 20 30 GHEDLO CC(=O)[C@@](C#N)(CC[N@H+](C)[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000878271296 894145025 /nfs/dbraw/zinc/14/50/25/894145025.db2.gz DARAPQCTZSIYBV-RPWUZVMVSA-N 1 2 375.516 3.633 20 30 GHEDLO COCc1ccccc1/C=C(/C)C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000816569321 894950281 /nfs/dbraw/zinc/95/02/81/894950281.db2.gz HVLPFHMDFWZMFS-MKJCWTSCSA-N 1 2 385.508 3.585 20 30 GHEDLO N#CCCn1cc(C(=O)C[N@@H+]2CCc3c(CC#N)cccc3C2)c2ccccc21 ZINC000626130266 895627903 /nfs/dbraw/zinc/62/79/03/895627903.db2.gz OMVVFWPXEOWKHN-UHFFFAOYSA-N 1 2 382.467 3.862 20 30 GHEDLO N#CCCn1cc(C(=O)C[N@H+]2CCc3c(CC#N)cccc3C2)c2ccccc21 ZINC000626130266 895627910 /nfs/dbraw/zinc/62/79/10/895627910.db2.gz OMVVFWPXEOWKHN-UHFFFAOYSA-N 1 2 382.467 3.862 20 30 GHEDLO C[N@@H+]1CCO[C@H]([C@H](Nc2ncc3c(c2C#N)CCC3)c2ccc(Cl)cc2)C1 ZINC000566135652 896133379 /nfs/dbraw/zinc/13/33/79/896133379.db2.gz NQIYOJOPCSOLEA-VQTJNVASSA-N 1 2 382.895 3.579 20 30 GHEDLO C[N@H+]1CCO[C@H]([C@H](Nc2ncc3c(c2C#N)CCC3)c2ccc(Cl)cc2)C1 ZINC000566135652 896133381 /nfs/dbraw/zinc/13/33/81/896133381.db2.gz NQIYOJOPCSOLEA-VQTJNVASSA-N 1 2 382.895 3.579 20 30 GHEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(NCC(F)(F)c2ccccn2)[nH+]1 ZINC001170906507 896214829 /nfs/dbraw/zinc/21/48/29/896214829.db2.gz AHLUWENROVQMSG-QBEFQMMVSA-N 1 2 380.464 3.870 20 30 GHEDLO C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)s1 ZINC000819235808 896478971 /nfs/dbraw/zinc/47/89/71/896478971.db2.gz WNUVKKRUEMYKCQ-CYBMUJFWSA-N 1 2 396.969 3.968 20 30 GHEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CC4(CCOCC4)[C@@H]3c3ccccc3)o2)c1 ZINC000568365351 897783855 /nfs/dbraw/zinc/78/38/55/897783855.db2.gz SUIPBSSIVAQMTQ-NRFANRHFSA-N 1 2 386.455 3.962 20 30 GHEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CC4(CCOCC4)[C@@H]3c3ccccc3)o2)c1 ZINC000568365351 897783862 /nfs/dbraw/zinc/78/38/62/897783862.db2.gz SUIPBSSIVAQMTQ-NRFANRHFSA-N 1 2 386.455 3.962 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)cc1 ZINC000043159478 898260149 /nfs/dbraw/zinc/26/01/49/898260149.db2.gz JEDMCYZAZRYCLP-UHFFFAOYSA-N 1 2 388.393 3.927 20 30 GHEDLO C[C@H]1CC[N@H+](Cc2ccc(C(C)(C)C#N)cc2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805785423 898298170 /nfs/dbraw/zinc/29/81/70/898298170.db2.gz IICJEJGAOVHHEE-ZQIUZPCESA-N 1 2 381.442 3.765 20 30 GHEDLO C[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805785423 898298187 /nfs/dbraw/zinc/29/81/87/898298187.db2.gz IICJEJGAOVHHEE-ZQIUZPCESA-N 1 2 381.442 3.765 20 30 GHEDLO CC(C)(C)OC(=O)N1CCN(c2[nH+]cccc2NC2=CC[C@H](C#N)CC2)CC1 ZINC001212855628 898353235 /nfs/dbraw/zinc/35/32/35/898353235.db2.gz BAZJLGVSPVIZIB-INIZCTEOSA-N 1 2 383.496 3.758 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)[C@H]2CC[N@@H+]2Cc2ccc(OC)cc2)cc1 ZINC001136612080 898539351 /nfs/dbraw/zinc/53/93/51/898539351.db2.gz QKVZVAAUXRSWRY-JOCHJYFZSA-N 1 2 393.487 3.615 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)[C@H]2CC[N@H+]2Cc2ccc(OC)cc2)cc1 ZINC001136612080 898539367 /nfs/dbraw/zinc/53/93/67/898539367.db2.gz QKVZVAAUXRSWRY-JOCHJYFZSA-N 1 2 393.487 3.615 20 30 GHEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000226716172 898865803 /nfs/dbraw/zinc/86/58/03/898865803.db2.gz IBEITSRAMITSJH-KSZLIROESA-N 1 2 393.487 3.573 20 30 GHEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000226716172 898865820 /nfs/dbraw/zinc/86/58/20/898865820.db2.gz IBEITSRAMITSJH-KSZLIROESA-N 1 2 393.487 3.573 20 30 GHEDLO CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000825017402 899936979 /nfs/dbraw/zinc/93/69/79/899936979.db2.gz QIQIRAAWHQYGLM-KRWDZBQOSA-N 1 2 390.553 3.872 20 30 GHEDLO O=C(NCCn1cc[nH+]c1)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000646436895 914517882 /nfs/dbraw/zinc/51/78/82/914517882.db2.gz FLUQJKOUSXLKRR-UHFFFAOYSA-N 1 2 398.282 3.994 20 30 GHEDLO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)c1cccc(C#N)c1O ZINC000886782631 901273205 /nfs/dbraw/zinc/27/32/05/901273205.db2.gz YLJURSHWDDKORO-UKRRQHHQSA-N 1 2 395.450 3.807 20 30 GHEDLO CCOc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1Cl ZINC000047601158 902194998 /nfs/dbraw/zinc/19/49/98/902194998.db2.gz SSPBXIMXUYGSHJ-UHFFFAOYSA-N 1 2 398.894 3.960 20 30 GHEDLO N#CCCCN1CC2(CCC1=O)CC[NH+](Cc1cc(Cl)cnc1Cl)CC2 ZINC001275541007 914655818 /nfs/dbraw/zinc/65/58/18/914655818.db2.gz KZLRWONVJGHBAX-UHFFFAOYSA-N 1 2 395.334 3.897 20 30 GHEDLO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCN(CCCC(=O)c2ccc(F)cc2)CC1 ZINC001171230377 903046198 /nfs/dbraw/zinc/04/61/98/903046198.db2.gz DCSJOMJFPSNFIE-LJQANCHMSA-N 1 2 393.506 3.909 20 30 GHEDLO CC[N@H+](CC(=O)N1CCC(c2ccc(C#N)cn2)CC1)Cc1ccccc1Cl ZINC001148313920 904032327 /nfs/dbraw/zinc/03/23/27/904032327.db2.gz FTZUCUZQQJADKB-UHFFFAOYSA-N 1 2 396.922 3.835 20 30 GHEDLO CC[N@@H+](CC(=O)N1CCC(c2ccc(C#N)cn2)CC1)Cc1ccccc1Cl ZINC001148313920 904032340 /nfs/dbraw/zinc/03/23/40/904032340.db2.gz FTZUCUZQQJADKB-UHFFFAOYSA-N 1 2 396.922 3.835 20 30 GHEDLO C=C[C@@H]1C[C@]1([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C1)C(=O)OCC ZINC001171588672 904816912 /nfs/dbraw/zinc/81/69/12/904816912.db2.gz HFKVSDQYSCKKNO-TXXWUTRGSA-N 1 2 394.556 3.898 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000188913986 905005930 /nfs/dbraw/zinc/00/59/30/905005930.db2.gz RBFMZLYGUGCKAO-PMACEKPBSA-N 1 2 397.881 3.944 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000188913986 905005951 /nfs/dbraw/zinc/00/59/51/905005951.db2.gz RBFMZLYGUGCKAO-PMACEKPBSA-N 1 2 397.881 3.944 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000801582219 921160853 /nfs/dbraw/zinc/16/08/53/921160853.db2.gz SWLYDQIOAZGYSE-QHCPKHFHSA-N 1 2 396.556 3.929 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000801582219 921160860 /nfs/dbraw/zinc/16/08/60/921160860.db2.gz SWLYDQIOAZGYSE-QHCPKHFHSA-N 1 2 396.556 3.929 20 30 GHEDLO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](F)C1 ZINC001173080601 906179496 /nfs/dbraw/zinc/17/94/96/906179496.db2.gz ZHRCROLRDZZVRM-SWHYSGLUSA-N 1 2 389.311 3.853 20 30 GHEDLO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](F)C1 ZINC001173080601 906179504 /nfs/dbraw/zinc/17/95/04/906179504.db2.gz ZHRCROLRDZZVRM-SWHYSGLUSA-N 1 2 389.311 3.853 20 30 GHEDLO C[C@@H]1CCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000177745270 906209049 /nfs/dbraw/zinc/20/90/49/906209049.db2.gz HBHNPKDONDBHBW-QAPCUYQASA-N 1 2 390.409 3.546 20 30 GHEDLO N#Cc1ccccc1OC1C[NH+](C2CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC001173424922 906460156 /nfs/dbraw/zinc/46/01/56/906460156.db2.gz RGDCIDRRRQPJHO-UHFFFAOYSA-N 1 2 395.890 3.579 20 30 GHEDLO Cc1sc(NC(=O)C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)c(C#N)c1C ZINC000267061005 909379120 /nfs/dbraw/zinc/37/91/20/909379120.db2.gz MHOPHZVDHZMDCR-FQEVSTJZSA-N 1 2 383.517 3.621 20 30 GHEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000635921779 909382141 /nfs/dbraw/zinc/38/21/41/909382141.db2.gz MESHVWNUEGFGLA-INIZCTEOSA-N 1 2 383.418 3.759 20 30 GHEDLO CCCCCCC[C@@H](C)C(=O)N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001181124106 910558314 /nfs/dbraw/zinc/55/83/14/910558314.db2.gz ZMVGDMCWDRIZST-GOSISDBHSA-N 1 2 377.577 3.847 20 30 GHEDLO CCCCCCC[C@@H](C)C(=O)N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001181124106 910558328 /nfs/dbraw/zinc/55/83/28/910558328.db2.gz ZMVGDMCWDRIZST-GOSISDBHSA-N 1 2 377.577 3.847 20 30 GHEDLO CCCCCCCCCCCC(=O)N(C)CC(=O)NCCc1[nH]cc(C)[nH+]1 ZINC001181357971 910723166 /nfs/dbraw/zinc/72/31/66/910723166.db2.gz QQUQLCBFCRHFIW-UHFFFAOYSA-N 1 2 378.561 3.756 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000292210125 915562310 /nfs/dbraw/zinc/56/23/10/915562310.db2.gz TYGDWWMSILWULF-SJLPKXTDSA-N 1 2 387.549 3.768 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000292210125 915562316 /nfs/dbraw/zinc/56/23/16/915562316.db2.gz TYGDWWMSILWULF-SJLPKXTDSA-N 1 2 387.549 3.768 20 30 GHEDLO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC000796462692 917540931 /nfs/dbraw/zinc/54/09/31/917540931.db2.gz CRERGNSIEKKDMP-SFHVURJKSA-N 1 2 381.451 3.836 20 30 GHEDLO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC000796462692 917540932 /nfs/dbraw/zinc/54/09/32/917540932.db2.gz CRERGNSIEKKDMP-SFHVURJKSA-N 1 2 381.451 3.836 20 30 GHEDLO CCc1ccc(O[C@@H](C)C(=O)N2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC001190995217 917724611 /nfs/dbraw/zinc/72/46/11/917724611.db2.gz MEWGPZOLMJZHFS-OALUTQOASA-N 1 2 391.515 3.793 20 30 GHEDLO C#CCCOc1ccc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000296071274 917819795 /nfs/dbraw/zinc/81/97/95/917819795.db2.gz GPFRKVURCOTDTF-IBGZPJMESA-N 1 2 377.488 3.641 20 30 GHEDLO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C(=O)NC2CC2)c2ccc(F)cc2)c1 ZINC000113952402 919382200 /nfs/dbraw/zinc/38/22/00/919382200.db2.gz RLOUNXQFOAVJPU-CTNGQTDRSA-N 1 2 381.451 3.616 20 30 GHEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2C/C(Br)=C/c1ccccc1 ZINC001276375820 919648386 /nfs/dbraw/zinc/64/83/86/919648386.db2.gz YNUZGPGZLADIQX-MTGKDYNDSA-N 1 2 387.321 3.513 20 30 GHEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2C/C(Br)=C/c1ccccc1 ZINC001276375820 919648401 /nfs/dbraw/zinc/64/84/01/919648401.db2.gz YNUZGPGZLADIQX-MTGKDYNDSA-N 1 2 387.321 3.513 20 30 GHEDLO C=CCC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2noc(C)n2)CC1)c1ccccc1 ZINC000364713726 919893483 /nfs/dbraw/zinc/89/34/83/919893483.db2.gz GXEQEGAYXHDGLQ-RTWAWAEBSA-N 1 2 396.535 3.941 20 30 GHEDLO C=CCC[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2noc(C)n2)CC1)c1ccccc1 ZINC000364713726 919893502 /nfs/dbraw/zinc/89/35/02/919893502.db2.gz GXEQEGAYXHDGLQ-RTWAWAEBSA-N 1 2 396.535 3.941 20 30 GHEDLO C[C@H](Nc1ccc(N2CCC(O)CC2)c(C#N)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902917132 922600822 /nfs/dbraw/zinc/60/08/22/922600822.db2.gz LZVQWNRFNIBOFK-KRWDZBQOSA-N 1 2 387.487 3.878 20 30 GHEDLO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)cc1 ZINC000370157858 923911838 /nfs/dbraw/zinc/91/18/38/923911838.db2.gz AVBVFGFZKKNXJB-OXJNMPFZSA-N 1 2 396.491 3.982 20 30 GHEDLO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)cc1 ZINC000370157858 923911844 /nfs/dbraw/zinc/91/18/44/923911844.db2.gz AVBVFGFZKKNXJB-OXJNMPFZSA-N 1 2 396.491 3.982 20 30 GHEDLO CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1 ZINC000370309335 924025832 /nfs/dbraw/zinc/02/58/32/924025832.db2.gz SJPMDSDNTKHVSD-RTBURBONSA-N 1 2 390.531 3.767 20 30 GHEDLO C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(Br)cc(F)c1F)CC2 ZINC001276105747 925686207 /nfs/dbraw/zinc/68/62/07/925686207.db2.gz CKMLPWAAMBNXRY-CQSZACIVSA-N 1 2 399.279 3.632 20 30 GHEDLO C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(F)c(F)cc1Br)CC2 ZINC001276147438 926007693 /nfs/dbraw/zinc/00/76/93/926007693.db2.gz URRASNQPNUMXAQ-CYBMUJFWSA-N 1 2 399.279 3.632 20 30 GHEDLO COC(=O)c1nc([C@H]2CCC[N@@H+]2Cc2ccc(O[C@H](C)C#N)cc2)sc1C ZINC000373489833 926186624 /nfs/dbraw/zinc/18/66/24/926186624.db2.gz MWTFLGQJYVSXRV-CXAGYDPISA-N 1 2 385.489 3.866 20 30 GHEDLO COC(=O)c1nc([C@H]2CCC[N@H+]2Cc2ccc(O[C@H](C)C#N)cc2)sc1C ZINC000373489833 926186630 /nfs/dbraw/zinc/18/66/30/926186630.db2.gz MWTFLGQJYVSXRV-CXAGYDPISA-N 1 2 385.489 3.866 20 30 GHEDLO N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000373587022 926268988 /nfs/dbraw/zinc/26/89/88/926268988.db2.gz VGNLEMRCJZAOLO-GOSISDBHSA-N 1 2 386.455 3.729 20 30 GHEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(Cc2ccc(F)c(Cl)c2)CC1=O ZINC000725910525 926492356 /nfs/dbraw/zinc/49/23/56/926492356.db2.gz XDNJABQMIZTXIT-UHFFFAOYSA-N 1 2 384.842 3.639 20 30 GHEDLO N#Cc1ccc(NC(=S)N2CC[NH+](Cc3ccsc3)CC2)cc1Cl ZINC000726449817 926670833 /nfs/dbraw/zinc/67/08/33/926670833.db2.gz QYEPWUONKNSRIF-UHFFFAOYSA-N 1 2 376.938 3.788 20 30 GHEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1=S ZINC000749800690 927281306 /nfs/dbraw/zinc/28/13/06/927281306.db2.gz SJXRUEGOBJBVBQ-MOPGFXCFSA-N 1 2 384.549 3.891 20 30 GHEDLO C=CCn1c(-c2ccc(C)cc2)nn(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1=S ZINC000749800690 927281319 /nfs/dbraw/zinc/28/13/19/927281319.db2.gz SJXRUEGOBJBVBQ-MOPGFXCFSA-N 1 2 384.549 3.891 20 30 GHEDLO CC1(C)C(=O)N(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)[C@@H]1c1ccccc1 ZINC000749950002 927366951 /nfs/dbraw/zinc/36/69/51/927366951.db2.gz IBBPFVBKCVQSKK-JOCHJYFZSA-N 1 2 389.499 3.969 20 30 GHEDLO N#Cc1ccc([C@@H](O)C[NH+]2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000751581099 928260081 /nfs/dbraw/zinc/26/00/81/928260081.db2.gz ORJXXCQPRWHCEV-VWLOTQADSA-N 1 2 395.506 3.979 20 30 GHEDLO C[C@@H](O)[C@@H]1CCN(c2cc(NCc3ccc(-c4ccccc4C#N)cc3)[nH+]cn2)C1 ZINC000413229551 928344895 /nfs/dbraw/zinc/34/48/95/928344895.db2.gz RFJDOAFCIUZBES-DYESRHJHSA-N 1 2 399.498 3.834 20 30 GHEDLO C[C@@H](O)[C@@H]1CCN(c2cc(NCc3ccc(-c4ccccc4C#N)cc3)nc[nH+]2)C1 ZINC000413229551 928344903 /nfs/dbraw/zinc/34/49/03/928344903.db2.gz RFJDOAFCIUZBES-DYESRHJHSA-N 1 2 399.498 3.834 20 30 GHEDLO C=CCn1c([C@@H]2COc3ccccc3O2)nn(C[NH+]2C[C@H](C)[C@@H](C)C2)c1=S ZINC000751929647 928484530 /nfs/dbraw/zinc/48/45/30/928484530.db2.gz QUEMFBOTNMYAJP-MPGHIAIKSA-N 1 2 386.521 3.658 20 30 GHEDLO N#Cc1csc(C[NH+]2CCN(Cc3cc(Br)ccc3F)CC2)c1 ZINC000467549263 929190647 /nfs/dbraw/zinc/19/06/47/929190647.db2.gz XPPQDAWZRYPDBE-UHFFFAOYSA-N 1 2 394.313 3.839 20 30 GHEDLO COc1cc(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)c(-c2ccccc2)cc1OC ZINC000753935022 929601057 /nfs/dbraw/zinc/60/10/57/929601057.db2.gz MDFQBXGQUYFIJI-RTBURBONSA-N 1 2 378.476 3.565 20 30 GHEDLO C[C@H]1CC(N=Nc2ccc(S(=O)(=O)C(F)F)cc2)C[N@@H+]1Cc1ccccc1 ZINC000757575808 929733083 /nfs/dbraw/zinc/73/30/83/929733083.db2.gz QJVXGCTYQGCIEP-AWEZNQCLSA-N 1 2 393.459 3.745 20 30 GHEDLO C[C@H]1CC(N=Nc2ccc(S(=O)(=O)C(F)F)cc2)C[N@H+]1Cc1ccccc1 ZINC000757575808 929733088 /nfs/dbraw/zinc/73/30/88/929733088.db2.gz QJVXGCTYQGCIEP-AWEZNQCLSA-N 1 2 393.459 3.745 20 30 GHEDLO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000469637389 930048770 /nfs/dbraw/zinc/04/87/70/930048770.db2.gz KSPAICJYEVGFSZ-CQSZACIVSA-N 1 2 392.272 3.946 20 30 GHEDLO Cc1cccn2cc(Cc3noc(CCCCOc4cccc(C#N)c4)n3)[nH+]c12 ZINC000546385069 930110387 /nfs/dbraw/zinc/11/03/87/930110387.db2.gz JMMVOYNETPPBKQ-UHFFFAOYSA-N 1 2 387.443 3.890 20 30 GHEDLO C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000469922067 930257837 /nfs/dbraw/zinc/25/78/37/930257837.db2.gz ZXRZEGMAKOBNCE-UHFFFAOYSA-N 1 2 380.492 3.837 20 30 GHEDLO COc1cc(F)cc(N[NH+]=Cc2cc3ccccc3nc2N2CCOCC2)c1 ZINC000759210158 930310251 /nfs/dbraw/zinc/31/02/51/930310251.db2.gz OICIYUXGQUUGIX-UHFFFAOYSA-N 1 2 380.423 3.665 20 30 GHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470032607 930332041 /nfs/dbraw/zinc/33/20/41/930332041.db2.gz WQPSOEIGAZBPRP-KBXCAEBGSA-N 1 2 384.307 3.501 20 30 GHEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470032607 930332051 /nfs/dbraw/zinc/33/20/51/930332051.db2.gz WQPSOEIGAZBPRP-KBXCAEBGSA-N 1 2 384.307 3.501 20 30 GHEDLO N#Cc1cccnc1N1CC[NH+](Cc2cccc(SC(F)(F)F)c2)CC1 ZINC000781323227 930795909 /nfs/dbraw/zinc/79/59/09/930795909.db2.gz JSNMABGMAZPVNC-UHFFFAOYSA-N 1 2 378.423 3.887 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cc(C)cc(Br)c2O)c1 ZINC000781902746 931020161 /nfs/dbraw/zinc/02/01/61/931020161.db2.gz UBJGCOPVHPPRJM-UHFFFAOYSA-N 1 2 387.277 3.515 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cc(C)cc(Br)c2O)c1 ZINC000781902746 931020170 /nfs/dbraw/zinc/02/01/70/931020170.db2.gz UBJGCOPVHPPRJM-UHFFFAOYSA-N 1 2 387.277 3.515 20 30 GHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000471041016 931111816 /nfs/dbraw/zinc/11/18/16/931111816.db2.gz MXLQRMJWIAUMLK-AOMKIAJQSA-N 1 2 394.519 3.645 20 30 GHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000471041016 931111819 /nfs/dbraw/zinc/11/18/19/931111819.db2.gz MXLQRMJWIAUMLK-AOMKIAJQSA-N 1 2 394.519 3.645 20 30 GHEDLO Cc1nc(NCc2cccc(C(=O)Nc3cc(C#N)ccc3NC3CC3)c2)cc[nH+]1 ZINC000557400064 931402534 /nfs/dbraw/zinc/40/25/34/931402534.db2.gz GSGSFCWCIFJMMJ-UHFFFAOYSA-N 1 2 398.470 3.517 20 30 GHEDLO C=CCS(=O)(=O)CC[NH2+][C@H](c1cccc(SC)c1)c1cc(F)ccc1F ZINC000783530945 931573850 /nfs/dbraw/zinc/57/38/50/931573850.db2.gz FECAFCOWJYAFPH-LJQANCHMSA-N 1 2 397.512 3.967 20 30 GHEDLO O=C(/C=C/c1cc(-n2cc[nH+]c2)cs1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000783708170 931624555 /nfs/dbraw/zinc/62/45/55/931624555.db2.gz VHWUKNQWQLVJIH-ZZXKWVIFSA-N 1 2 394.424 3.826 20 30 GHEDLO C=C(C)[C@@H]1CC=C(COC(=O)[C@@H]2CCC(=O)N(CCC)[C@H]2c2c[nH+]cn2C)CC1 ZINC000796747399 932051909 /nfs/dbraw/zinc/05/19/09/932051909.db2.gz PJHAZTSVYKXBML-WOIUINJBSA-N 1 2 399.535 3.956 20 30 GHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)O[C@@H](C#N)Cc1ccc(F)cc1F ZINC000796830162 932082265 /nfs/dbraw/zinc/08/22/65/932082265.db2.gz OKCGMJPUKIYZFW-CYBMUJFWSA-N 1 2 391.324 3.579 20 30 GHEDLO COCc1cc[nH+]c(N[C@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000926663624 932265630 /nfs/dbraw/zinc/26/56/30/932265630.db2.gz VCYHGXMITWBXLQ-MRXNPFEDSA-N 1 2 388.512 3.959 20 30 GHEDLO N#CCOc1ccc(CC(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)cc1 ZINC000798268373 932584240 /nfs/dbraw/zinc/58/42/40/932584240.db2.gz VDYPAQLWWCHOLU-UHFFFAOYSA-N 1 2 386.455 3.970 20 30 GHEDLO C=CCc1ccc(OC[C@H](O)C[N@H+](C)Cc2c(F)cccc2F)c(OC)c1 ZINC000559365690 932630949 /nfs/dbraw/zinc/63/09/49/932630949.db2.gz WIVBHFDGYOVAFA-MRXNPFEDSA-N 1 2 377.431 3.574 20 30 GHEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+](C)Cc2c(F)cccc2F)c(OC)c1 ZINC000559365690 932630956 /nfs/dbraw/zinc/63/09/56/932630956.db2.gz WIVBHFDGYOVAFA-MRXNPFEDSA-N 1 2 377.431 3.574 20 30 GHEDLO N#Cc1cc(S(=O)(=O)Oc2ccc(-n3cc[nH+]c3)cc2)ccc1C(F)(F)F ZINC000799998090 933208422 /nfs/dbraw/zinc/20/84/22/933208422.db2.gz KPFHUJGTJSAORQ-UHFFFAOYSA-N 1 2 393.346 3.530 20 30 GHEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+](C)[C@H]2CC[C@H](SC)C2)c1=S ZINC001116292752 933461217 /nfs/dbraw/zinc/46/12/17/933461217.db2.gz DGWKLUOJURQNDO-GJZGRUSLSA-N 1 2 375.567 3.835 20 30 GHEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+](C)[C@H]2CC[C@H](SC)C2)c1=S ZINC001116292752 933461221 /nfs/dbraw/zinc/46/12/21/933461221.db2.gz DGWKLUOJURQNDO-GJZGRUSLSA-N 1 2 375.567 3.835 20 30 GHEDLO CCC(CC)[C@H]1C[C@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])CCO1 ZINC000777872610 933799535 /nfs/dbraw/zinc/79/95/35/933799535.db2.gz XSGYTUHNVOWNFR-OXQOHEQNSA-N 1 2 396.535 3.630 20 30 GHEDLO CCN(C(=O)C#Cc1cccs1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001117752722 934006205 /nfs/dbraw/zinc/00/62/05/934006205.db2.gz ORNPWLJMGAXDIX-UHFFFAOYSA-N 1 2 396.560 3.839 20 30 GHEDLO C=CCn1c(-c2ccco2)nnc1N1CC[NH+]([C@@H](C)c2ccc(F)cc2F)CC1 ZINC001121371746 934640510 /nfs/dbraw/zinc/64/05/10/934640510.db2.gz QVBQZHBPGONDAK-HNNXBMFYSA-N 1 2 399.445 3.886 20 30 GHEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC(C)(C#N)CC1 ZINC001121580489 934705139 /nfs/dbraw/zinc/70/51/39/934705139.db2.gz AYGOBQIAMRZWNK-GOSISDBHSA-N 1 2 378.524 3.787 20 30 GHEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC(C)(C#N)CC1 ZINC001121580489 934705144 /nfs/dbraw/zinc/70/51/44/934705144.db2.gz AYGOBQIAMRZWNK-GOSISDBHSA-N 1 2 378.524 3.787 20 30 GHEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@@]2(C1)CCCOC2 ZINC001121581635 934705159 /nfs/dbraw/zinc/70/51/59/934705159.db2.gz PDLHHMYVNWMRAV-AUSIDOKSSA-N 1 2 395.551 3.664 20 30 GHEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@@]2(C1)CCCOC2 ZINC001121581635 934705165 /nfs/dbraw/zinc/70/51/65/934705165.db2.gz PDLHHMYVNWMRAV-AUSIDOKSSA-N 1 2 395.551 3.664 20 30 GHEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001121682910 934737707 /nfs/dbraw/zinc/73/77/07/934737707.db2.gz XRVBEKTZHGAXJO-GCJKJVERSA-N 1 2 378.524 3.787 20 30 GHEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001121682910 934737710 /nfs/dbraw/zinc/73/77/10/934737710.db2.gz XRVBEKTZHGAXJO-GCJKJVERSA-N 1 2 378.524 3.787 20 30 GHEDLO C[C@@H](Cc1cncc2ccccc21)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000562164299 934740068 /nfs/dbraw/zinc/74/00/68/934740068.db2.gz KVRTYEAHOYLLDD-IBGZPJMESA-N 1 2 398.510 3.629 20 30 GHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc(CCCCC#N)n1CC ZINC001121693725 934741406 /nfs/dbraw/zinc/74/14/06/934741406.db2.gz ZHUIZFWTXROFPU-UHFFFAOYSA-N 1 2 395.555 3.672 20 30 GHEDLO CCS[C@H]1CC[C@H](N(C)c2nnc(C3CC[NH+](CCC#N)CC3)n2CC)C1 ZINC001121800991 934767977 /nfs/dbraw/zinc/76/79/77/934767977.db2.gz MGSFSOYGVCLGNN-ROUUACIJSA-N 1 2 390.601 3.501 20 30 GHEDLO C[N@@H+]1CCCC[C@H]1c1nnc(N2CCC[C@H](CC#N)C2)n1Cc1ccccc1 ZINC001122080819 934816888 /nfs/dbraw/zinc/81/68/88/934816888.db2.gz IDKNZDNQNAFFEL-UXHICEINSA-N 1 2 378.524 3.613 20 30 GHEDLO C[N@H+]1CCCC[C@H]1c1nnc(N2CCC[C@H](CC#N)C2)n1Cc1ccccc1 ZINC001122080819 934816891 /nfs/dbraw/zinc/81/68/91/934816891.db2.gz IDKNZDNQNAFFEL-UXHICEINSA-N 1 2 378.524 3.613 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@@H](COC)C1 ZINC001122441258 934871116 /nfs/dbraw/zinc/87/11/16/934871116.db2.gz RKAXBCAMTWRBQJ-AZUAARDMSA-N 1 2 383.540 3.520 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@@H](COC)C1 ZINC001122441258 934871122 /nfs/dbraw/zinc/87/11/22/934871122.db2.gz RKAXBCAMTWRBQJ-AZUAARDMSA-N 1 2 383.540 3.520 20 30 GHEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N(Cc1ccco1)C(C)C ZINC001122529977 934891325 /nfs/dbraw/zinc/89/13/25/934891325.db2.gz UIZQPUCAQGUOAV-UHFFFAOYSA-N 1 2 396.539 3.955 20 30 GHEDLO N#Cc1ccc(OCC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1Br ZINC001124773014 935464073 /nfs/dbraw/zinc/46/40/73/935464073.db2.gz RWWDNVKWQIRQMU-UHFFFAOYSA-N 1 2 397.232 3.524 20 30 GHEDLO C=C[C@H](COC)NC(=O)N1CC[N@H+](Cc2ccc(Cl)cc2)C[C@H]1CC(C)C ZINC001226866206 1032165838 /nfs/dbraw/zinc/16/58/38/1032165838.db2.gz HUIWXKAURDKPLQ-WOJBJXKFSA-N 1 2 393.959 3.783 20 30 GHEDLO C=C[C@H](COC)NC(=O)N1CC[N@@H+](Cc2ccc(Cl)cc2)C[C@H]1CC(C)C ZINC001226866206 1032165843 /nfs/dbraw/zinc/16/58/43/1032165843.db2.gz HUIWXKAURDKPLQ-WOJBJXKFSA-N 1 2 393.959 3.783 20 30 GHEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1c(Cl)ccc(C)c1Cl)C2 ZINC001277230422 1032511792 /nfs/dbraw/zinc/51/17/92/1032511792.db2.gz WKHCGBWPVUJSGM-IBGZPJMESA-N 1 2 383.319 3.539 20 30 GHEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1c(Cl)ccc(C)c1Cl)C2 ZINC001277230422 1032511797 /nfs/dbraw/zinc/51/17/97/1032511797.db2.gz WKHCGBWPVUJSGM-IBGZPJMESA-N 1 2 383.319 3.539 20 30 GHEDLO N#Cc1ccc(OC(F)F)c(NC(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000560174796 1017563356 /nfs/dbraw/zinc/56/33/56/1017563356.db2.gz WBUYGPJJABNUSR-UHFFFAOYSA-N 1 2 397.385 3.726 20 30 GHEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000778995988 1020168427 /nfs/dbraw/zinc/16/84/27/1020168427.db2.gz HYXJKGSDHZVCLC-UHFFFAOYSA-N 1 2 395.503 3.621 20 30 GHEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1ccccc1C(=O)NC1CCCC1 ZINC000778995988 1020168437 /nfs/dbraw/zinc/16/84/37/1020168437.db2.gz HYXJKGSDHZVCLC-UHFFFAOYSA-N 1 2 395.503 3.621 20 30 GHEDLO COC(=O)[C@H](C(C)C)[N@H+](C)Cc1cn(C(=O)OC(C)(C)C)c2ccc(C#N)cc12 ZINC001140441299 1021716327 /nfs/dbraw/zinc/71/63/27/1021716327.db2.gz NPNWIPAQJSYSLD-IBGZPJMESA-N 1 2 399.491 3.926 20 30 GHEDLO COC(=O)[C@H](C(C)C)[N@@H+](C)Cc1cn(C(=O)OC(C)(C)C)c2ccc(C#N)cc12 ZINC001140441299 1021716344 /nfs/dbraw/zinc/71/63/44/1021716344.db2.gz NPNWIPAQJSYSLD-IBGZPJMESA-N 1 2 399.491 3.926 20 30 GHEDLO C=CCOC[C@@H]1C[N@H+](Cc2cccc3ccncc32)Cc2nnn(CC3CC3)c21 ZINC001140642501 1022137084 /nfs/dbraw/zinc/13/70/84/1022137084.db2.gz CEBNWFWFGYENAC-FQEVSTJZSA-N 1 2 389.503 3.538 20 30 GHEDLO C=CCOC[C@@H]1C[N@@H+](Cc2cccc3ccncc32)Cc2nnn(CC3CC3)c21 ZINC001140642501 1022137093 /nfs/dbraw/zinc/13/70/93/1022137093.db2.gz CEBNWFWFGYENAC-FQEVSTJZSA-N 1 2 389.503 3.538 20 30 GHEDLO N#Cc1ccccc1N1CCC(Nc2[nH+]cnc3c2cnn3-c2ccccc2)CC1 ZINC000754488757 1022735224 /nfs/dbraw/zinc/73/52/24/1022735224.db2.gz MJVFOVQJRVQPCX-UHFFFAOYSA-N 1 2 395.470 3.768 20 30 GHEDLO O=C1C=C2C[N@@H+](Cc3ccc(OC(F)F)c(OCC4CC4)c3)CC[C@@H]2S1 ZINC001140904212 1022840255 /nfs/dbraw/zinc/84/02/55/1022840255.db2.gz LESMNRUCWUBMLR-KRWDZBQOSA-N 1 2 381.444 3.851 20 30 GHEDLO Cc1nc(NCc2cccc(C(=O)OCc3ccc(F)c(C#N)c3)c2)cc[nH+]1 ZINC000754955907 1022984253 /nfs/dbraw/zinc/98/42/53/1022984253.db2.gz JLLZZURFPRXTLC-UHFFFAOYSA-N 1 2 376.391 3.765 20 30 GHEDLO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3cc(F)c(O)c(F)c3)CC2)C1 ZINC001140988397 1023091528 /nfs/dbraw/zinc/09/15/28/1023091528.db2.gz ZATJTGNLZMBCJQ-UHFFFAOYSA-N 1 2 380.435 3.671 20 30 GHEDLO C[C@@H]1CC[N@H+](Cc2sc(N)c(C#N)c2Cl)CCN1C(=O)OC(C)(C)C ZINC001141107524 1023516530 /nfs/dbraw/zinc/51/65/30/1023516530.db2.gz YJYSLWYARBUKKF-LLVKDONJSA-N 1 2 384.933 3.687 20 30 GHEDLO C[C@@H]1CC[N@@H+](Cc2sc(N)c(C#N)c2Cl)CCN1C(=O)OC(C)(C)C ZINC001141107524 1023516536 /nfs/dbraw/zinc/51/65/36/1023516536.db2.gz YJYSLWYARBUKKF-LLVKDONJSA-N 1 2 384.933 3.687 20 30 GHEDLO CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1sc(N)c(C#N)c1Cl ZINC001141114408 1023531326 /nfs/dbraw/zinc/53/13/26/1023531326.db2.gz NQGXRCYNENPVKB-PGUXBMHVSA-N 1 2 381.929 3.798 20 30 GHEDLO CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1sc(N)c(C#N)c1Cl ZINC001141114408 1023531331 /nfs/dbraw/zinc/53/13/31/1023531331.db2.gz NQGXRCYNENPVKB-PGUXBMHVSA-N 1 2 381.929 3.798 20 30 GHEDLO C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1sc(N)c(C#N)c1Cl ZINC001141114538 1023531943 /nfs/dbraw/zinc/53/19/43/1023531943.db2.gz SHCWKGRBYWUNBC-QWRGUYRKSA-N 1 2 384.933 3.733 20 30 GHEDLO C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1sc(N)c(C#N)c1Cl ZINC001141114538 1023531946 /nfs/dbraw/zinc/53/19/46/1023531946.db2.gz SHCWKGRBYWUNBC-QWRGUYRKSA-N 1 2 384.933 3.733 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@H](F)[C@]2(CC[N@H+](Cc3ccc(F)cc3C#N)C2)C1 ZINC001141163488 1023989770 /nfs/dbraw/zinc/98/97/70/1023989770.db2.gz GQUAZHQLJIHDFS-RXVVDRJESA-N 1 2 391.462 3.868 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@H](F)[C@]2(CC[N@@H+](Cc3ccc(F)cc3C#N)C2)C1 ZINC001141163488 1023989771 /nfs/dbraw/zinc/98/97/71/1023989771.db2.gz GQUAZHQLJIHDFS-RXVVDRJESA-N 1 2 391.462 3.868 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@]2(CC[N@H+](Cc3ccc(F)cc3C#N)C2)C1 ZINC001141163489 1023990090 /nfs/dbraw/zinc/99/00/90/1023990090.db2.gz GQUAZHQLJIHDFS-WIYYLYMNSA-N 1 2 391.462 3.868 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@]2(CC[N@@H+](Cc3ccc(F)cc3C#N)C2)C1 ZINC001141163489 1023990095 /nfs/dbraw/zinc/99/00/95/1023990095.db2.gz GQUAZHQLJIHDFS-WIYYLYMNSA-N 1 2 391.462 3.868 20 30 GHEDLO O=C(Cc1ccc(-n2cc[nH+]c2)cc1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001141291266 1024419639 /nfs/dbraw/zinc/41/96/39/1024419639.db2.gz PNGUKUMZPCHXSJ-UHFFFAOYSA-N 1 2 383.373 3.602 20 30 GHEDLO C#CCOc1ccc(C[N@@H+]2Cc3ncn(C)c3[C@H](COCC3CCCC3)C2)cc1 ZINC001138559740 1025021314 /nfs/dbraw/zinc/02/13/14/1025021314.db2.gz RADUPSOLPSTKRJ-NRFANRHFSA-N 1 2 393.531 3.738 20 30 GHEDLO C#CCOc1ccc(C[N@H+]2Cc3ncn(C)c3[C@H](COCC3CCCC3)C2)cc1 ZINC001138559740 1025021325 /nfs/dbraw/zinc/02/13/25/1025021325.db2.gz RADUPSOLPSTKRJ-NRFANRHFSA-N 1 2 393.531 3.738 20 30 GHEDLO CC[C@H]1C[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000838902714 1025430606 /nfs/dbraw/zinc/43/06/06/1025430606.db2.gz ZDGYGPKSCVAHQA-YOEHRIQHSA-N 1 2 388.468 3.592 20 30 GHEDLO CC[C@H]1C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000838902714 1025430614 /nfs/dbraw/zinc/43/06/14/1025430614.db2.gz ZDGYGPKSCVAHQA-YOEHRIQHSA-N 1 2 388.468 3.592 20 30 GHEDLO CCOC(=O)c1cc(C#N)c(Cl)nc1NCC(C)(C)c1cc(OC)cc[nH+]1 ZINC001162128446 1025620703 /nfs/dbraw/zinc/62/07/03/1025620703.db2.gz PGGACEOUHKYBQQ-UHFFFAOYSA-N 1 2 388.855 3.577 20 30 GHEDLO COc1cc[nH+]c(C(C)(C)CNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)c1 ZINC001162130913 1025622748 /nfs/dbraw/zinc/62/27/48/1025622748.db2.gz NOVRGUULURDNAJ-UHFFFAOYSA-N 1 2 377.404 3.808 20 30 GHEDLO N#Cc1sccc1C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC001141601473 1025826935 /nfs/dbraw/zinc/82/69/35/1025826935.db2.gz PXQCOBOIYXFVRB-OAHLLOKOSA-N 1 2 377.872 3.979 20 30 GHEDLO C[N@@H+]1CCO[C@H](CNc2nc3ccc(C(F)(F)F)cc3c(Cl)c2C#N)C1 ZINC001162684507 1025870928 /nfs/dbraw/zinc/87/09/28/1025870928.db2.gz ZYLPXMBYRGAOJA-LLVKDONJSA-N 1 2 384.789 3.521 20 30 GHEDLO C[N@H+]1CCO[C@H](CNc2nc3ccc(C(F)(F)F)cc3c(Cl)c2C#N)C1 ZINC001162684507 1025870941 /nfs/dbraw/zinc/87/09/41/1025870941.db2.gz ZYLPXMBYRGAOJA-LLVKDONJSA-N 1 2 384.789 3.521 20 30 GHEDLO C#CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1cccc(C(=O)N(CC)CC)c1 ZINC000839601894 1026100989 /nfs/dbraw/zinc/10/09/89/1026100989.db2.gz OGXDBWOXLGUAPD-IBGZPJMESA-N 1 2 391.515 3.631 20 30 GHEDLO C#CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1cccc(C(=O)N(CC)CC)c1 ZINC000839601894 1026100992 /nfs/dbraw/zinc/10/09/92/1026100992.db2.gz OGXDBWOXLGUAPD-IBGZPJMESA-N 1 2 391.515 3.631 20 30 GHEDLO COC(=O)c1cc(OC)cc(OC)c1C[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC001141697764 1026278981 /nfs/dbraw/zinc/27/89/81/1026278981.db2.gz AYGXSQWFOVRNMH-UHFFFAOYSA-N 1 2 394.471 3.548 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCO[C@]3(CCC[C@@H]3COCc3ccccn3)C2)cc1F ZINC001139528957 1026387971 /nfs/dbraw/zinc/38/79/71/1026387971.db2.gz ZMWBMHWVMDVLDN-NFBKMPQASA-N 1 2 395.478 3.680 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCO[C@]3(CCC[C@@H]3COCc3ccccn3)C2)cc1F ZINC001139528957 1026387980 /nfs/dbraw/zinc/38/79/80/1026387980.db2.gz ZMWBMHWVMDVLDN-NFBKMPQASA-N 1 2 395.478 3.680 20 30 GHEDLO C=CCn1cc(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@H](c3ccccc3)C2)cn1 ZINC001139772200 1026605608 /nfs/dbraw/zinc/60/56/08/1026605608.db2.gz BNGCZSTVSAWUQS-FQEVSTJZSA-N 1 2 382.508 3.863 20 30 GHEDLO C=CCn1cc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@H](c3ccccc3)C2)cn1 ZINC001139772200 1026605614 /nfs/dbraw/zinc/60/56/14/1026605614.db2.gz BNGCZSTVSAWUQS-FQEVSTJZSA-N 1 2 382.508 3.863 20 30 GHEDLO N#Cc1ccccc1N1CC[NH+](Cc2c[nH]c3nccc(Br)c23)CC1 ZINC001139944004 1026749672 /nfs/dbraw/zinc/74/96/72/1026749672.db2.gz NEDUXLGOYDFWSO-UHFFFAOYSA-N 1 2 396.292 3.519 20 30 GHEDLO C[Si](C)(C)C#Cc1ccnc(N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)c1 ZINC001165693677 1026800350 /nfs/dbraw/zinc/80/03/50/1026800350.db2.gz ROPVBCCGPWAYTF-FQEVSTJZSA-N 1 2 394.595 3.570 20 30 GHEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1=S ZINC000840113878 1027217088 /nfs/dbraw/zinc/21/70/88/1027217088.db2.gz GEFVTAIFVQTVRF-OTWHNJEPSA-N 1 2 399.564 3.635 20 30 GHEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1=S ZINC000840113878 1027217112 /nfs/dbraw/zinc/21/71/12/1027217112.db2.gz GEFVTAIFVQTVRF-OTWHNJEPSA-N 1 2 399.564 3.635 20 30 GHEDLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(C#N)c(SC)n2)[C@@H](c2ccccc2)C1 ZINC001141946057 1027725974 /nfs/dbraw/zinc/72/59/74/1027725974.db2.gz XULPODKUZCCYDZ-VQIMIIECSA-N 1 2 381.501 3.801 20 30 GHEDLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(SC)n2)[C@@H](c2ccccc2)C1 ZINC001141946057 1027725984 /nfs/dbraw/zinc/72/59/84/1027725984.db2.gz XULPODKUZCCYDZ-VQIMIIECSA-N 1 2 381.501 3.801 20 30 GHEDLO N#Cc1ncc(NC(=O)/C=C/c2ccc(Cn3cc[nH+]c3)cc2)cc1C(F)(F)F ZINC001142365290 1028753081 /nfs/dbraw/zinc/75/30/81/1028753081.db2.gz FPIVUCFKJXLDPD-AATRIKPKSA-N 1 2 397.360 3.869 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC12CC[NH+](Cc1c(F)ccc(C#N)c1F)CC2 ZINC001143167000 1029877750 /nfs/dbraw/zinc/87/77/50/1029877750.db2.gz OIZWYNVVCQYYFD-UHFFFAOYSA-N 1 2 377.435 3.812 20 30 GHEDLO COc1ccc(F)c(C(F)(F)F)c1C[N@@H+]1CC[C@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001143297817 1030001041 /nfs/dbraw/zinc/00/10/41/1030001041.db2.gz BUVHCPOXBDQFOM-LKFCYVNXSA-N 1 2 389.311 3.988 20 30 GHEDLO COc1ccc(F)c(C(F)(F)F)c1C[N@H+]1CC[C@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001143297817 1030001060 /nfs/dbraw/zinc/00/10/60/1030001060.db2.gz BUVHCPOXBDQFOM-LKFCYVNXSA-N 1 2 389.311 3.988 20 30 GHEDLO COc1ccc(F)c(C(F)(F)F)c1C[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC001143298151 1030002278 /nfs/dbraw/zinc/00/22/78/1030002278.db2.gz FEVHOYLTIVFXLK-CYBMUJFWSA-N 1 2 375.284 3.600 20 30 GHEDLO COc1ccc(F)c(C(F)(F)F)c1C[N@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC001143298151 1030002285 /nfs/dbraw/zinc/00/22/85/1030002285.db2.gz FEVHOYLTIVFXLK-CYBMUJFWSA-N 1 2 375.284 3.600 20 30 GHEDLO C=CCn1nc(C)c(-c2cc(C(=O)Nc3cc(C)cc(C[NH+](C)C)c3)[nH]n2)c1C ZINC001151010666 1030742514 /nfs/dbraw/zinc/74/25/14/1030742514.db2.gz BHCIUBVOJNIJEO-UHFFFAOYSA-N 1 2 392.507 3.698 20 30 GHEDLO COc1cc(C#N)ccc1CO[C@@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC001224192308 1030921025 /nfs/dbraw/zinc/92/10/25/1030921025.db2.gz MVRAIYYKFMZSGS-OAHLLOKOSA-N 1 2 377.897 3.858 20 30 GHEDLO COc1cc(C#N)ccc1CO[C@@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC001224192308 1030921028 /nfs/dbraw/zinc/92/10/28/1030921028.db2.gz MVRAIYYKFMZSGS-OAHLLOKOSA-N 1 2 377.897 3.858 20 30 GHEDLO C[C@@H](C(=O)Nc1ccc(O[C@@H]2CC[NH2+]CC2(F)F)cc1)c1ccc(C#N)cc1 ZINC001219456208 1031428202 /nfs/dbraw/zinc/42/82/02/1031428202.db2.gz KEUQSCCDDYTLES-AUUYWEPGSA-N 1 2 385.414 3.676 20 30 GHEDLO O=C1C=CC(=Nc2ccc(OC[C@H]3C[N@H+](Cc4ccccc4)CCO3)cc2)C=C1 ZINC001229694675 1033646878 /nfs/dbraw/zinc/64/68/78/1033646878.db2.gz JNAMZHSTVHZOGU-XMMPIXPASA-N 1 2 388.467 3.734 20 30 GHEDLO O=C1C=CC(=Nc2ccc(OC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)cc2)C=C1 ZINC001229694675 1033646886 /nfs/dbraw/zinc/64/68/86/1033646886.db2.gz JNAMZHSTVHZOGU-XMMPIXPASA-N 1 2 388.467 3.734 20 30 GHEDLO CCC[C@@H](CC(=O)OC)Oc1nc(C)c(-c2ccc3[nH+]ccn3c2)cc1C#N ZINC001229768621 1033699171 /nfs/dbraw/zinc/69/91/71/1033699171.db2.gz NNIQVAHEYHGDHY-KRWDZBQOSA-N 1 2 378.432 3.687 20 30 GHEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3c(F)cccc3OC(F)F)C2)CC1 ZINC001207112096 1034099159 /nfs/dbraw/zinc/09/91/59/1034099159.db2.gz WABZBHZKEHUYRT-UHFFFAOYSA-N 1 2 384.398 3.648 20 30 GHEDLO CCCCCCC/C=C/C[N@@H+]1CCn2c(CNC(=O)c3ccno3)cnc2C1 ZINC001208119901 1034747822 /nfs/dbraw/zinc/74/78/22/1034747822.db2.gz IEQKXQUTPGCPNY-CMDGGOBGSA-N 1 2 385.512 3.533 20 30 GHEDLO CCCCCCC/C=C/C[N@H+]1CCn2c(CNC(=O)c3ccno3)cnc2C1 ZINC001208119901 1034747834 /nfs/dbraw/zinc/74/78/34/1034747834.db2.gz IEQKXQUTPGCPNY-CMDGGOBGSA-N 1 2 385.512 3.533 20 30 GHEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2ccc(OCC)c(Br)c2)C1=O ZINC001277541766 1034763503 /nfs/dbraw/zinc/76/35/03/1034763503.db2.gz YZLWWTNZEPPRQR-IBGZPJMESA-N 1 2 393.325 3.601 20 30 GHEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(OCC)c(Br)c2)C1=O ZINC001277541766 1034763517 /nfs/dbraw/zinc/76/35/17/1034763517.db2.gz YZLWWTNZEPPRQR-IBGZPJMESA-N 1 2 393.325 3.601 20 30 GHEDLO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3cccc(Cl)c3O)CC2)cc1 ZINC001231913491 1034988101 /nfs/dbraw/zinc/98/81/01/1034988101.db2.gz KNUBQDUUQFTPPQ-UHFFFAOYSA-N 1 2 384.867 3.703 20 30 GHEDLO COCc1cc[nH+]c(NCCC(=O)N2Cc3ccccc3C#Cc3ccccc32)c1 ZINC001160699766 1035039388 /nfs/dbraw/zinc/03/93/88/1035039388.db2.gz IHJAPJZQXWQRLY-UHFFFAOYSA-N 1 2 397.478 3.977 20 30 GHEDLO N#Cc1ccc(CCN2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC001208929221 1035092843 /nfs/dbraw/zinc/09/28/43/1035092843.db2.gz OFKQPNHUOCMAST-UHFFFAOYSA-N 1 2 389.421 3.817 20 30 GHEDLO N#Cc1c(C#N)c(-c2ccccc2C[NH+]2CCOCC2)nc2c1CCCCCC2 ZINC001241990398 1035780527 /nfs/dbraw/zinc/78/05/27/1035780527.db2.gz TZKTUEFEZHFWDG-UHFFFAOYSA-N 1 2 386.499 3.983 20 30 GHEDLO C=CC[N@@H+](Cc1ccc(OC)c(I)c1O)C(C)(C)C ZINC001248498543 1035916196 /nfs/dbraw/zinc/91/61/96/1035916196.db2.gz FAQFAPYTCFPCGJ-UHFFFAOYSA-N 1 2 375.250 3.792 20 30 GHEDLO C=CC[N@H+](Cc1ccc(OC)c(I)c1O)C(C)(C)C ZINC001248498543 1035916198 /nfs/dbraw/zinc/91/61/98/1035916198.db2.gz FAQFAPYTCFPCGJ-UHFFFAOYSA-N 1 2 375.250 3.792 20 30 GHEDLO C=CCOc1ccc(CNC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC001248611947 1035988929 /nfs/dbraw/zinc/98/89/29/1035988929.db2.gz QNQGQDBGDSXGJC-RMKNXTFCSA-N 1 2 391.515 3.792 20 30 GHEDLO C/C(=N\[S@](=O)C(C)(C)C)c1ccc(-c2cc[nH+]c(N3CCOCC3)c2)cc1 ZINC001243902089 1036327283 /nfs/dbraw/zinc/32/72/83/1036327283.db2.gz VWHBTWSVHUPOLK-IDGUORLLSA-N 1 2 385.533 3.856 20 30 GHEDLO N#Cc1ccc(NC(=S)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1C(F)(F)F ZINC001245800649 1037005027 /nfs/dbraw/zinc/00/50/27/1037005027.db2.gz WXJKCOWIRNFAMG-CQSZACIVSA-N 1 2 391.422 3.537 20 30 GHEDLO N#Cc1ccnc(C[NH+]2CCN(c3cccc(OCc4ccccc4)c3)CC2)c1 ZINC001232481248 1038260769 /nfs/dbraw/zinc/26/07/69/1038260769.db2.gz BNQNRXXCXZASFW-UHFFFAOYSA-N 1 2 384.483 3.854 20 30 GHEDLO COCC[N@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001232894045 1038683979 /nfs/dbraw/zinc/68/39/79/1038683979.db2.gz OGCAXWHWGZJSGI-LJQANCHMSA-N 1 2 391.487 3.545 20 30 GHEDLO COCC[N@@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001232894045 1038683984 /nfs/dbraw/zinc/68/39/84/1038683984.db2.gz OGCAXWHWGZJSGI-LJQANCHMSA-N 1 2 391.487 3.545 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cncc(Br)c1C ZINC001277768267 1038920469 /nfs/dbraw/zinc/92/04/69/1038920469.db2.gz IYBHSYJAKCFCAP-IBGZPJMESA-N 1 2 392.341 3.686 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cncc(Br)c1C ZINC001277768267 1038920472 /nfs/dbraw/zinc/92/04/72/1038920472.db2.gz IYBHSYJAKCFCAP-IBGZPJMESA-N 1 2 392.341 3.686 20 30 GHEDLO N#Cc1cccc(Br)c1OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001233703756 1039552008 /nfs/dbraw/zinc/55/20/08/1039552008.db2.gz NAGMHORUMGZRFQ-KRWDZBQOSA-N 1 2 387.277 3.601 20 30 GHEDLO N#Cc1cccc(Br)c1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001233703756 1039552019 /nfs/dbraw/zinc/55/20/19/1039552019.db2.gz NAGMHORUMGZRFQ-KRWDZBQOSA-N 1 2 387.277 3.601 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CCc4ccc(Cl)cc43)CC2)cc1 ZINC001233917644 1039705060 /nfs/dbraw/zinc/70/50/60/1039705060.db2.gz MGYCTDDABOEVJJ-NRFANRHFSA-N 1 2 394.906 3.726 20 30 GHEDLO CCCCCCCCCCCCOCCOC[C@H](O)C[NH+]1CCC(=O)CC1 ZINC001253617025 1039729024 /nfs/dbraw/zinc/72/90/24/1039729024.db2.gz YWAXBDRIINSWAD-JOCHJYFZSA-N 1 2 385.589 3.966 20 30 GHEDLO Cc1cc(Br)sc1C[N@@H+]1CCC[C@@]12CCN(CCCC#N)C2=O ZINC001277840403 1039929234 /nfs/dbraw/zinc/92/92/34/1039929234.db2.gz FDXJQVSGRKTAMK-KRWDZBQOSA-N 1 2 396.354 3.690 20 30 GHEDLO Cc1cc(Br)sc1C[N@H+]1CCC[C@@]12CCN(CCCC#N)C2=O ZINC001277840403 1039929238 /nfs/dbraw/zinc/92/92/38/1039929238.db2.gz FDXJQVSGRKTAMK-KRWDZBQOSA-N 1 2 396.354 3.690 20 30 GHEDLO C=CCc1cc(OC)c(OC)cc1OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001234551488 1040120795 /nfs/dbraw/zinc/12/07/95/1040120795.db2.gz GUTSLBCYMYBSIH-HXUWFJFHSA-N 1 2 383.488 3.712 20 30 GHEDLO C=CCc1cc(OC)c(OC)cc1OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001234551488 1040120806 /nfs/dbraw/zinc/12/08/06/1040120806.db2.gz GUTSLBCYMYBSIH-HXUWFJFHSA-N 1 2 383.488 3.712 20 30 GHEDLO CC[C@H](C)N1CC[C@@]2(CCC[N@@H+]2Cc2ccc(C#N)c(Br)c2)C1=O ZINC001277867724 1040152527 /nfs/dbraw/zinc/15/25/27/1040152527.db2.gz MRSUYIPAPOKWGS-LIRRHRJNSA-N 1 2 390.325 3.686 20 30 GHEDLO CC[C@H](C)N1CC[C@@]2(CCC[N@H+]2Cc2ccc(C#N)c(Br)c2)C1=O ZINC001277867724 1040152536 /nfs/dbraw/zinc/15/25/36/1040152536.db2.gz MRSUYIPAPOKWGS-LIRRHRJNSA-N 1 2 390.325 3.686 20 30 GHEDLO COCc1cnc2n1CC[N@H+](C1CCC(C#N)(c3ccc(F)cc3)CC1)[C@@H]2C ZINC001254354654 1040186471 /nfs/dbraw/zinc/18/64/71/1040186471.db2.gz KEBIDINQDNTMNY-IDMYKUQPSA-N 1 2 382.483 3.949 20 30 GHEDLO COCc1cnc2n1CC[N@@H+](C1CCC(C#N)(c3ccc(F)cc3)CC1)[C@@H]2C ZINC001254354654 1040186476 /nfs/dbraw/zinc/18/64/76/1040186476.db2.gz KEBIDINQDNTMNY-IDMYKUQPSA-N 1 2 382.483 3.949 20 30 GHEDLO CC(C)(C)OC(=O)O[C@@H]1CC[N@H+](Cc2ccc(C#N)c(Br)c2)C1 ZINC001236855835 1041930593 /nfs/dbraw/zinc/93/05/93/1041930593.db2.gz NNLPOVBZSNUZKC-CQSZACIVSA-N 1 2 381.270 3.847 20 30 GHEDLO CC(C)(C)OC(=O)O[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(Br)c2)C1 ZINC001236855835 1041930597 /nfs/dbraw/zinc/93/05/97/1041930597.db2.gz NNLPOVBZSNUZKC-CQSZACIVSA-N 1 2 381.270 3.847 20 30 GHEDLO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cn2cc(C#N)ccc2n1 ZINC001237616711 1042283388 /nfs/dbraw/zinc/28/33/88/1042283388.db2.gz GEVPHODKDCSQBA-QRQLOZEOSA-N 1 2 380.492 3.681 20 30 GHEDLO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cn2cc(C#N)ccc2n1 ZINC001237616711 1042283397 /nfs/dbraw/zinc/28/33/97/1042283397.db2.gz GEVPHODKDCSQBA-QRQLOZEOSA-N 1 2 380.492 3.681 20 30 GHEDLO C=CCOCc1ncn2c1C[N@H+](Cc1ccccc1Oc1cnccn1)CCC2 ZINC001238010250 1042458039 /nfs/dbraw/zinc/45/80/39/1042458039.db2.gz DQBZHWFEMPWIAL-UHFFFAOYSA-N 1 2 391.475 3.574 20 30 GHEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1ccccc1Oc1cnccn1)CCC2 ZINC001238010250 1042458041 /nfs/dbraw/zinc/45/80/41/1042458041.db2.gz DQBZHWFEMPWIAL-UHFFFAOYSA-N 1 2 391.475 3.574 20 30 GHEDLO Cn1ncc2c1C[N@H+](Cc1ccc(C#N)cc1Cl)C[C@@H]2COc1cccnc1 ZINC001238082860 1042486137 /nfs/dbraw/zinc/48/61/37/1042486137.db2.gz OIKURZBMLILZBP-QGZVFWFLSA-N 1 2 393.878 3.519 20 30 GHEDLO Cn1ncc2c1C[N@@H+](Cc1ccc(C#N)cc1Cl)C[C@@H]2COc1cccnc1 ZINC001238082860 1042486140 /nfs/dbraw/zinc/48/61/40/1042486140.db2.gz OIKURZBMLILZBP-QGZVFWFLSA-N 1 2 393.878 3.519 20 30 GHEDLO N#Cc1ccccc1NC(=S)Nc1ccc(O[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC001239352378 1042812218 /nfs/dbraw/zinc/81/22/18/1042812218.db2.gz RRNGOFADYPUODJ-QGZVFWFLSA-N 1 2 388.443 3.743 20 30 GHEDLO N#Cc1c(-c2ccccc2)ccnc1-c1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001240447091 1042929699 /nfs/dbraw/zinc/92/96/99/1042929699.db2.gz KYMZKWXCJPJMCB-UHFFFAOYSA-N 1 2 385.467 3.998 20 30 GHEDLO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC001292437620 1043734561 /nfs/dbraw/zinc/73/45/61/1043734561.db2.gz PASMQFZROZEODI-AWEZNQCLSA-N 1 2 378.860 3.617 20 30 GHEDLO C#CC[N@H+]1CCCN(C(=O)c2ncc(-c3cc(Cl)cc(Cl)c3)s2)CC1 ZINC001293715914 1044311264 /nfs/dbraw/zinc/31/12/64/1044311264.db2.gz OEYJOWQCCQPPQZ-UHFFFAOYSA-N 1 2 394.327 3.898 20 30 GHEDLO C#CC[N@@H+]1CCCN(C(=O)c2ncc(-c3cc(Cl)cc(Cl)c3)s2)CC1 ZINC001293715914 1044311274 /nfs/dbraw/zinc/31/12/74/1044311274.db2.gz OEYJOWQCCQPPQZ-UHFFFAOYSA-N 1 2 394.327 3.898 20 30 GHEDLO C=CCCN(OCc1ccccc1)C(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC001296464456 1045320441 /nfs/dbraw/zinc/32/04/41/1045320441.db2.gz ZLAYCDLUXGBPKH-QFIPXVFZSA-N 1 2 380.488 3.806 20 30 GHEDLO C=CCCN(OCc1ccccc1)C(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC001296464456 1045320451 /nfs/dbraw/zinc/32/04/51/1045320451.db2.gz ZLAYCDLUXGBPKH-QFIPXVFZSA-N 1 2 380.488 3.806 20 30 GHEDLO CC(C)[C@H](C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001298261475 1045755998 /nfs/dbraw/zinc/75/59/98/1045755998.db2.gz RWGBVRFFOWMBOX-JXXFODFXSA-N 1 2 387.524 3.808 20 30 GHEDLO Cc1ccc([C@@H]2C[C@@H](C)N(c3nnc(C4CC[NH+](CCC#N)CC4)n3C)C2)cc1 ZINC001262873428 1046394487 /nfs/dbraw/zinc/39/44/87/1046394487.db2.gz HSJGRIPVZHJGKP-WIYYLYMNSA-N 1 2 392.551 3.599 20 30 GHEDLO C=CCN(C)c1nnc(C(C)(C)C)n1C[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC001301267799 1046440156 /nfs/dbraw/zinc/44/01/56/1046440156.db2.gz AWHUPEUNPJRBLJ-INIZCTEOSA-N 1 2 377.483 3.779 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(Cc1ccccc1)C1CC1 ZINC001263024815 1046511862 /nfs/dbraw/zinc/51/18/62/1046511862.db2.gz KNEXWEKCSQBHGR-UHFFFAOYSA-N 1 2 378.524 3.560 20 30 GHEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCC(OC2CCCC2)CC1 ZINC001263342118 1046725062 /nfs/dbraw/zinc/72/50/62/1046725062.db2.gz JEZDHMHAFWSZCU-UHFFFAOYSA-N 1 2 387.572 3.768 20 30 GHEDLO Cc1ccc(CN(C)c2nnc(C3CC[NH+](CCC#N)CC3)n2CC(C)C)o1 ZINC001263419027 1046802430 /nfs/dbraw/zinc/80/24/30/1046802430.db2.gz ZNZVBOBKKCWVAJ-UHFFFAOYSA-N 1 2 384.528 3.565 20 30 GHEDLO N#Cc1ccc(Oc2ccc(C(=O)OCCc3cn4c([nH+]3)CCCC4)cc2)nc1 ZINC001263500252 1046910211 /nfs/dbraw/zinc/91/02/11/1046910211.db2.gz CSZQTSOHXFAERW-UHFFFAOYSA-N 1 2 388.427 3.678 20 30 GHEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(-c3nc4ccccc4s3)s2)C1 ZINC001303557129 1047428721 /nfs/dbraw/zinc/42/87/21/1047428721.db2.gz NQPNDMUPKMRMQJ-AWEZNQCLSA-N 1 2 381.526 3.852 20 30 GHEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(-c3nc4ccccc4s3)s2)C1 ZINC001303557129 1047428724 /nfs/dbraw/zinc/42/87/24/1047428724.db2.gz NQPNDMUPKMRMQJ-AWEZNQCLSA-N 1 2 381.526 3.852 20 30 GHEDLO N#Cc1cc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)ccc1Br ZINC001304094820 1047585383 /nfs/dbraw/zinc/58/53/83/1047585383.db2.gz KDMJWIPQBOZKGO-UHFFFAOYSA-N 1 2 381.233 3.818 20 30 GHEDLO C#C[C@H](C)N(C)c1nnc(Cc2ccccc2F)n1CCCc1cccc(C)[nH+]1 ZINC001286297691 1048262106 /nfs/dbraw/zinc/26/21/06/1048262106.db2.gz YLERSDDZAVTQGC-SFHVURJKSA-N 1 2 391.494 3.802 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2Cc2c(C)cc(C)cc2C)CC1 ZINC001286471291 1048336230 /nfs/dbraw/zinc/33/62/30/1048336230.db2.gz IPRCLPAGEONJBB-SFHVURJKSA-N 1 2 379.552 3.520 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(CSc3ccc(C)cc3)n2C/C=C/CC)CC1 ZINC001286484485 1048337154 /nfs/dbraw/zinc/33/71/54/1048337154.db2.gz PAHQYOUUIZZZTF-VOTSOKGWSA-N 1 2 395.576 3.600 20 30 GHEDLO C=CCN(C)c1nnc(C2CCC2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001286722884 1048479695 /nfs/dbraw/zinc/47/96/95/1048479695.db2.gz BEBIVKAXXGUXRM-OAQYLSRUSA-N 1 2 395.551 3.550 20 30 GHEDLO C=CCN(CC=C)c1nnc(Cc2ccc(F)cc2)n1Cc1c[nH+]ccc1OC ZINC001286758222 1048511291 /nfs/dbraw/zinc/51/12/91/1048511291.db2.gz GSHSQQDMUFJOPB-UHFFFAOYSA-N 1 2 393.466 3.638 20 30 GHEDLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC001307494456 1049334111 /nfs/dbraw/zinc/33/41/11/1049334111.db2.gz HTAOUQVKADASGR-OAHLLOKOSA-N 1 2 384.867 3.999 20 30 GHEDLO C=C(C)CN(CC)C(=O)[C@@H](C)SCc1cccc(C[NH+]2CCOCC2)c1 ZINC001327582451 1050224047 /nfs/dbraw/zinc/22/40/47/1050224047.db2.gz CPGPQEDVLOOYLC-GOSISDBHSA-N 1 2 376.566 3.565 20 30 GHEDLO C=CCn1c(=S)n(C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)nc1-c1cccnc1 ZINC001330058533 1050948350 /nfs/dbraw/zinc/94/83/50/1050948350.db2.gz BSEXACKRLKNCDP-RBUKOAKNSA-N 1 2 399.564 3.901 20 30 GHEDLO C=CCn1c(=S)n(C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)nc1-c1cccnc1 ZINC001330058533 1050948355 /nfs/dbraw/zinc/94/83/55/1050948355.db2.gz BSEXACKRLKNCDP-RBUKOAKNSA-N 1 2 399.564 3.901 20 30 GHEDLO N#Cc1cc(F)cc(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)c1 ZINC001311104668 1051860604 /nfs/dbraw/zinc/86/06/04/1051860604.db2.gz XZVAULAVIKIZLN-WOJBJXKFSA-N 1 2 375.407 3.944 20 30 GHEDLO Cc1cc(F)c(C#N)cc1NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC001311179848 1051924738 /nfs/dbraw/zinc/92/47/38/1051924738.db2.gz DDORAOUUHBIYGZ-LJQANCHMSA-N 1 2 377.423 3.845 20 30 GHEDLO C[NH+](C)Cc1cc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)no1 ZINC001334723843 1051968488 /nfs/dbraw/zinc/96/84/88/1051968488.db2.gz HJBMQFNLRWTYON-UHFFFAOYSA-N 1 2 378.457 3.687 20 30 GHEDLO C=CC[C@H](CC)NC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001312600200 1052806503 /nfs/dbraw/zinc/80/65/03/1052806503.db2.gz NNTWJGRTLGCBNB-INIZCTEOSA-N 1 2 385.430 3.767 20 30 GHEDLO C#C[C@@H](C)NC(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC001312934569 1052915360 /nfs/dbraw/zinc/91/53/60/1052915360.db2.gz OWCCYBDHLSKUIO-DYESRHJHSA-N 1 2 381.907 3.778 20 30 GHEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@H](OCCC)CC1 ZINC001342342142 1053117180 /nfs/dbraw/zinc/11/71/80/1053117180.db2.gz SBMNKZSEYHFJQZ-IBGZPJMESA-N 1 2 375.561 3.626 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC001343578143 1053902483 /nfs/dbraw/zinc/90/24/83/1053902483.db2.gz UHWBFQVZVNKYGY-MISYRCLQSA-N 1 2 398.555 3.690 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[C@@]2(C1)OCc1ccccc12 ZINC001343768996 1054011918 /nfs/dbraw/zinc/01/19/18/1054011918.db2.gz TXFBFKICXRFXMB-OFNKIYASSA-N 1 2 393.535 3.647 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@]2(C1)OCc1ccccc12 ZINC001343768996 1054011939 /nfs/dbraw/zinc/01/19/39/1054011939.db2.gz TXFBFKICXRFXMB-OFNKIYASSA-N 1 2 393.535 3.647 20 30 GHEDLO C[NH+]1CCN(c2ccc(C=[NH+][N-]c3ncc(Cl)cc3Cl)cc2F)CC1 ZINC001317901811 1054298198 /nfs/dbraw/zinc/29/81/98/1054298198.db2.gz UCDBXNDNDCMHET-UHFFFAOYSA-N 1 2 382.270 3.725 20 30 GHEDLO CC(C)C(C#N)=CNNc1ccc(S(=O)(=O)NC2CCCCCCC2)c[nH+]1 ZINC001319380870 1055214143 /nfs/dbraw/zinc/21/41/43/1055214143.db2.gz NZCJRAIIEXOPBG-MRXNPFEDSA-N 1 2 391.541 3.666 20 30 GHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ccc(OCC#N)cc1 ZINC001323237462 1056942197 /nfs/dbraw/zinc/94/21/97/1056942197.db2.gz GIIOFOZJDZOFIQ-UHFFFAOYSA-N 1 2 393.491 3.754 20 30 GHEDLO C[C@@H](c1cc2ccccc2o1)N(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001355480495 1057178254 /nfs/dbraw/zinc/17/82/54/1057178254.db2.gz OQJDESKWJZWVCI-INIZCTEOSA-N 1 2 392.507 3.852 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@H](COc2ccccc2)C1 ZINC001355930362 1057321010 /nfs/dbraw/zinc/32/10/10/1057321010.db2.gz VCGMWISUDYSMJA-ICSRJNTNSA-N 1 2 381.524 3.526 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@H](COc2ccccc2)C1 ZINC001355930362 1057321016 /nfs/dbraw/zinc/32/10/16/1057321016.db2.gz VCGMWISUDYSMJA-ICSRJNTNSA-N 1 2 381.524 3.526 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@@H]1c1ccccc1 ZINC001356082364 1057381870 /nfs/dbraw/zinc/38/18/70/1057381870.db2.gz CRPUZVJBURJLNV-OAQYLSRUSA-N 1 2 390.535 3.899 20 30 GHEDLO C=C(C)Cn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC[C@@H](OC)C1 ZINC001356200749 1057426654 /nfs/dbraw/zinc/42/66/54/1057426654.db2.gz XCVMCYSMNQSLOO-UYAOXDASSA-N 1 2 383.540 3.662 20 30 GHEDLO C=C(C)Cn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC[C@@H](OC)C1 ZINC001356200749 1057426659 /nfs/dbraw/zinc/42/66/59/1057426659.db2.gz XCVMCYSMNQSLOO-UYAOXDASSA-N 1 2 383.540 3.662 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001339021228 1058927115 /nfs/dbraw/zinc/92/71/15/1058927115.db2.gz AKYYTXNXZYKRTE-WIYYLYMNSA-N 1 2 386.544 3.692 20 30 GHEDLO C=CCn1c(-c2ncc(CC)s2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001339130887 1058972473 /nfs/dbraw/zinc/97/24/73/1058972473.db2.gz OEQQIJXSLPANPA-UHFFFAOYSA-N 1 2 395.536 3.626 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N(C)Cc1cccc(C)n1 ZINC001339136189 1058975428 /nfs/dbraw/zinc/97/54/28/1058975428.db2.gz ODJJWKASPCMHTD-LJQANCHMSA-N 1 2 379.512 3.636 20 30 GHEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@H](c2ccccc2)CC1 ZINC001339630314 1059356986 /nfs/dbraw/zinc/35/69/86/1059356986.db2.gz WWVXPHBMHXNIGY-FQEVSTJZSA-N 1 2 392.551 3.682 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC[C@H](c2ccco2)C1 ZINC001339796828 1059479487 /nfs/dbraw/zinc/47/94/87/1059479487.db2.gz YBMRJHRKZJKMRS-ZWKOTPCHSA-N 1 2 380.496 3.883 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC[C@H](COCC)C1 ZINC001340491677 1059951156 /nfs/dbraw/zinc/95/11/56/1059951156.db2.gz RJXKFLWEURTXDS-FPOVZHCZSA-N 1 2 397.567 3.910 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC[C@H](COCC)C1 ZINC001340491677 1059951157 /nfs/dbraw/zinc/95/11/57/1059951157.db2.gz RJXKFLWEURTXDS-FPOVZHCZSA-N 1 2 397.567 3.910 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@H]2CSC[C@@H]2C1 ZINC001340491733 1059951389 /nfs/dbraw/zinc/95/13/89/1059951389.db2.gz KRFMPBJELFMYEL-IHPCNDPISA-N 1 2 397.592 3.846 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@H]2CSC[C@@H]2C1 ZINC001340491733 1059951391 /nfs/dbraw/zinc/95/13/91/1059951391.db2.gz KRFMPBJELFMYEL-IHPCNDPISA-N 1 2 397.592 3.846 20 30 GHEDLO CN(c1nnc([C@H]2CCCC[N@@H+]2C)n1Cc1ccccc1)[C@@H]1CCC[C@H]1C#N ZINC001340515131 1059958854 /nfs/dbraw/zinc/95/88/54/1059958854.db2.gz WONWJYPOYYUDLP-XUVXKRRUSA-N 1 2 378.524 3.612 20 30 GHEDLO CN(c1nnc([C@H]2CCCC[N@H+]2C)n1Cc1ccccc1)[C@@H]1CCC[C@H]1C#N ZINC001340515131 1059958856 /nfs/dbraw/zinc/95/88/56/1059958856.db2.gz WONWJYPOYYUDLP-XUVXKRRUSA-N 1 2 378.524 3.612 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@@H]1c1cccc(C)c1C ZINC001340733977 1060082098 /nfs/dbraw/zinc/08/20/98/1060082098.db2.gz WXKSHKMZTMSWNJ-LJQANCHMSA-N 1 2 376.508 3.747 20 30 GHEDLO CC1(C)CCCN1c1nnc(C2CC[NH+](CCC#N)CC2)n1Cc1ccccc1 ZINC001340785003 1060125534 /nfs/dbraw/zinc/12/55/34/1060125534.db2.gz DSDOKFCMELPCBX-UHFFFAOYSA-N 1 2 392.551 3.798 20 30 GHEDLO C=C(C)Cn1c(Cc2[nH+]ccn2Cc2ccccc2)nnc1N1CC[C@H](C)C1 ZINC001341868458 1060930180 /nfs/dbraw/zinc/93/01/80/1060930180.db2.gz OIGCKMFSFMONON-SFHVURJKSA-N 1 2 376.508 3.536 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCO[C@@H](c2ccccc2)C1 ZINC001342226392 1061154221 /nfs/dbraw/zinc/15/42/21/1061154221.db2.gz WRMKUFMYZAMFRL-WOJBJXKFSA-N 1 2 381.524 3.589 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCO[C@@H](c2ccccc2)C1 ZINC001342226392 1061154224 /nfs/dbraw/zinc/15/42/24/1061154224.db2.gz WRMKUFMYZAMFRL-WOJBJXKFSA-N 1 2 381.524 3.589 20 30 GHEDLO N#CCCCc1nnc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)n1CC1CC1 ZINC001346104279 1061366217 /nfs/dbraw/zinc/36/62/17/1061366217.db2.gz UODJPHYWMRDDNM-UHFFFAOYSA-N 1 2 398.942 3.510 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCO[C@H](c2ccccc2C)C1 ZINC001346188330 1061437178 /nfs/dbraw/zinc/43/71/78/1061437178.db2.gz XUGANQSFZCCSMO-PMACEKPBSA-N 1 2 381.524 3.507 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCO[C@H](c2ccccc2C)C1 ZINC001346188330 1061437191 /nfs/dbraw/zinc/43/71/91/1061437191.db2.gz XUGANQSFZCCSMO-PMACEKPBSA-N 1 2 381.524 3.507 20 30 GHEDLO C[C@@H](c1ccco1)N(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1CC1CC1 ZINC001346248631 1061476727 /nfs/dbraw/zinc/47/67/27/1061476727.db2.gz VUMOCKZWHWJOQP-INIZCTEOSA-N 1 2 382.512 3.572 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC(C2CCOCC2)CC1 ZINC001346627305 1061744469 /nfs/dbraw/zinc/74/44/69/1061744469.db2.gz KTVVFKZPQORKSE-HXUWFJFHSA-N 1 2 387.572 3.654 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC(C2CCOCC2)CC1 ZINC001346627305 1061744484 /nfs/dbraw/zinc/74/44/84/1061744484.db2.gz KTVVFKZPQORKSE-HXUWFJFHSA-N 1 2 387.572 3.654 20 30 GHEDLO C=CC1(CC(=O)N2CCC[C@H]2c2[nH]c(C)c(C)[nH+]2)CN(C(=O)OC(C)(C)C)C1 ZINC001455774718 1062286788 /nfs/dbraw/zinc/28/67/88/1062286788.db2.gz WENIUPIRUNWQNY-INIZCTEOSA-N 1 2 388.512 3.503 20 30 GHEDLO Cc1cc(C#N)cc(C)c1CC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC001456180754 1062534013 /nfs/dbraw/zinc/53/40/13/1062534013.db2.gz QPCQKCFWIUKRBC-SFHVURJKSA-N 1 2 377.488 3.750 20 30 GHEDLO C=CCn1c([C@H]2CCC[N@@H+]2Cc2ccccc2)nnc1N1CCC[C@H](C#N)C1 ZINC001351828395 1064630356 /nfs/dbraw/zinc/63/03/56/1064630356.db2.gz BDYSLDRJFAIMJT-WOJBJXKFSA-N 1 2 376.508 3.541 20 30 GHEDLO C=CCn1c([C@H]2CCC[N@H+]2Cc2ccccc2)nnc1N1CCC[C@H](C#N)C1 ZINC001351828395 1064630369 /nfs/dbraw/zinc/63/03/69/1064630369.db2.gz BDYSLDRJFAIMJT-WOJBJXKFSA-N 1 2 376.508 3.541 20 30 GHEDLO C#Cc1ccc(C(=O)N(CCCn2cc[nH+]c2)Cc2ccccc2OCC)cc1 ZINC001464964230 1065294588 /nfs/dbraw/zinc/29/45/88/1065294588.db2.gz ZRHVDKPBLPTIES-UHFFFAOYSA-N 1 2 387.483 3.996 20 30 GHEDLO N#CCc1ccc(CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)cc1 ZINC001465935849 1065929591 /nfs/dbraw/zinc/92/95/91/1065929591.db2.gz JILHKOJUGNBJBW-UHFFFAOYSA-N 1 2 383.455 3.990 20 30 GHEDLO C#C[C@@H](C)N(C)c1nnc(C2CCC2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001300302483 1065956145 /nfs/dbraw/zinc/95/61/45/1065956145.db2.gz BKFHXAYXWZISMC-GOSISDBHSA-N 1 2 392.551 3.683 20 30 GHEDLO Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)NCCCCn1cc[nH+]c1 ZINC001467001641 1066439054 /nfs/dbraw/zinc/43/90/54/1066439054.db2.gz OOQNJXKIJINAQD-UHFFFAOYSA-N 1 2 390.447 3.852 20 30 GHEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)Nc3cc(F)cc(C#N)c3)CC2)cc1 ZINC001467151905 1067103563 /nfs/dbraw/zinc/10/35/63/1067103563.db2.gz QTFBRQIQQSWZHQ-UHFFFAOYSA-N 1 2 381.455 3.554 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2Cc2cccc(Cl)c2C)CC1 ZINC001359029131 1067659273 /nfs/dbraw/zinc/65/92/73/1067659273.db2.gz PBVOWXKKXMHADY-INIZCTEOSA-N 1 2 385.943 3.557 20 30 GHEDLO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H]2Cc2ccccc2Br)c1 ZINC001460273418 1068901240 /nfs/dbraw/zinc/90/12/40/1068901240.db2.gz XJQFMHOLYGRTCR-SFHVURJKSA-N 1 2 398.304 3.966 20 30 GHEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H]2Cc2ccccc2Br)c1 ZINC001460273418 1068901245 /nfs/dbraw/zinc/90/12/45/1068901245.db2.gz XJQFMHOLYGRTCR-SFHVURJKSA-N 1 2 398.304 3.966 20 30 GHEDLO C=CCCCN(CC)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC001478351606 1078827559 /nfs/dbraw/zinc/82/75/59/1078827559.db2.gz GEJPHYNGFGFFII-RTBURBONSA-N 1 2 379.932 3.709 20 30 GHEDLO C=CCCCN(CC)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC001478351606 1078827562 /nfs/dbraw/zinc/82/75/62/1078827562.db2.gz GEJPHYNGFGFFII-RTBURBONSA-N 1 2 379.932 3.709 20 30 GHEDLO CC(C)(C#N)CC(=O)N1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC001470986595 1072867274 /nfs/dbraw/zinc/86/72/74/1072867274.db2.gz SBONCZNJSIVPLQ-UHFFFAOYSA-N 1 2 391.515 3.850 20 30 GHEDLO N#Cc1ccc(C2=CCN(C(=O)N[C@@H](Cn3cc[nH+]c3)c3ccccc3)CC2)cc1 ZINC001471181504 1072956156 /nfs/dbraw/zinc/95/61/56/1072956156.db2.gz YPQUVKXCTBURRX-QHCPKHFHSA-N 1 2 397.482 3.995 20 30 GHEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1C(=O)NCc1ccc(C)cc1 ZINC001473434008 1073961937 /nfs/dbraw/zinc/96/19/37/1073961937.db2.gz ISJNJOVYQRPQKT-FQEVSTJZSA-N 1 2 391.515 3.904 20 30 GHEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1C(=O)NCc1ccc(C)cc1 ZINC001473434008 1073961938 /nfs/dbraw/zinc/96/19/38/1073961938.db2.gz ISJNJOVYQRPQKT-FQEVSTJZSA-N 1 2 391.515 3.904 20 30 GHEDLO C#C[C@H]1CCC[N@@H+](CC(=O)N(Cc2ccccc2)c2nc3c(s2)CCCC3)C1 ZINC001473588135 1074034228 /nfs/dbraw/zinc/03/42/28/1074034228.db2.gz UIPNDPNXXIQSID-SFHVURJKSA-N 1 2 393.556 3.900 20 30 GHEDLO C#C[C@H]1CCC[N@H+](CC(=O)N(Cc2ccccc2)c2nc3c(s2)CCCC3)C1 ZINC001473588135 1074034232 /nfs/dbraw/zinc/03/42/32/1074034232.db2.gz UIPNDPNXXIQSID-SFHVURJKSA-N 1 2 393.556 3.900 20 30 GHEDLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(C#N)ccc1Br ZINC001473701534 1074096138 /nfs/dbraw/zinc/09/61/38/1074096138.db2.gz KHQDZZRCSHBXDI-IUODEOHRSA-N 1 2 394.313 3.808 20 30 GHEDLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1cc(C#N)ccc1Br ZINC001473701534 1074096148 /nfs/dbraw/zinc/09/61/48/1074096148.db2.gz KHQDZZRCSHBXDI-IUODEOHRSA-N 1 2 394.313 3.808 20 30 GHEDLO C#CC[N@@H+](CC(=O)Nc1nnc(CCCC)s1)[C@H]1CCCc2ccccc21 ZINC001473825682 1074161910 /nfs/dbraw/zinc/16/19/10/1074161910.db2.gz CFCOUOLOCLZRJF-SFHVURJKSA-N 1 2 382.533 3.832 20 30 GHEDLO C#CC[N@H+](CC(=O)Nc1nnc(CCCC)s1)[C@H]1CCCc2ccccc21 ZINC001473825682 1074161913 /nfs/dbraw/zinc/16/19/13/1074161913.db2.gz CFCOUOLOCLZRJF-SFHVURJKSA-N 1 2 382.533 3.832 20 30 GHEDLO C=C(C)c1cccc(NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)c1 ZINC000890889153 837427993 /nfs/dbraw/zinc/42/79/93/837427993.db2.gz QXWQYYQEHYCCLS-FQEVSTJZSA-N 1 2 380.492 3.689 20 30 GHEDLO C=C(C)c1cccc(NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)c1 ZINC000890889153 837428007 /nfs/dbraw/zinc/42/80/07/837428007.db2.gz QXWQYYQEHYCCLS-FQEVSTJZSA-N 1 2 380.492 3.689 20 30 GHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](C)[C@H](C)c2cccnc2)c1C#N ZINC000180802728 837563318 /nfs/dbraw/zinc/56/33/18/837563318.db2.gz BYHAMPXEGPBXMR-GOSISDBHSA-N 1 2 387.487 3.992 20 30 GHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](C)[C@H](C)c2cccnc2)c1C#N ZINC000180802728 837563321 /nfs/dbraw/zinc/56/33/21/837563321.db2.gz BYHAMPXEGPBXMR-GOSISDBHSA-N 1 2 387.487 3.992 20 30 GHEDLO C=CC[N@@H+](CC(=O)NCc1ccc(OC(F)(F)F)cc1)Cc1cccs1 ZINC000565144047 834529999 /nfs/dbraw/zinc/52/99/99/834529999.db2.gz SCYSERAAMASIMZ-UHFFFAOYSA-N 1 2 384.423 3.951 20 30 GHEDLO C=CC[N@H+](CC(=O)NCc1ccc(OC(F)(F)F)cc1)Cc1cccs1 ZINC000565144047 834530008 /nfs/dbraw/zinc/53/00/08/834530008.db2.gz SCYSERAAMASIMZ-UHFFFAOYSA-N 1 2 384.423 3.951 20 30 GHEDLO Cc1ccc(OC2CC[NH+]([C@H]3CCN(c4sccc4C#N)C3=O)CC2)cc1C ZINC000177012554 837826755 /nfs/dbraw/zinc/82/67/55/837826755.db2.gz DHEJUSBNDWBCMQ-FQEVSTJZSA-N 1 2 395.528 3.885 20 30 GHEDLO O=C(CSCC[NH+]1CCOCC1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000329416233 835000156 /nfs/dbraw/zinc/00/01/56/835000156.db2.gz ZCQFVVVRBMWKPG-UHFFFAOYSA-N 1 2 392.521 3.772 20 30 GHEDLO C[C@@H](OC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)c1ccc(C#N)cc1 ZINC000175757216 835266786 /nfs/dbraw/zinc/26/67/86/835266786.db2.gz KLNCTCWTMQCMRY-MRXNPFEDSA-N 1 2 388.427 3.702 20 30 GHEDLO N#Cc1ccccc1OCc1cccc(C(=O)NCCCNc2cccc[nH+]2)c1 ZINC000136190161 835325190 /nfs/dbraw/zinc/32/51/90/835325190.db2.gz KJLHAIKEWIGPOK-UHFFFAOYSA-N 1 2 386.455 3.764 20 30 GHEDLO N#CCc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000536194379 835446894 /nfs/dbraw/zinc/44/68/94/835446894.db2.gz VQUALWIVQZTUCU-LJQANCHMSA-N 1 2 385.870 3.940 20 30 GHEDLO N#CCc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000536194379 835446898 /nfs/dbraw/zinc/44/68/98/835446898.db2.gz VQUALWIVQZTUCU-LJQANCHMSA-N 1 2 385.870 3.940 20 30 GHEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2cc(C#N)c3ccccc3n2)CC1 ZINC000329635426 835473228 /nfs/dbraw/zinc/47/32/28/835473228.db2.gz XVVWNIGFFDEKGH-INIZCTEOSA-N 1 2 377.492 3.516 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)c1C#N ZINC000612174561 835777922 /nfs/dbraw/zinc/77/79/22/835777922.db2.gz HBGUGHZGUVHEGE-FQEVSTJZSA-N 1 2 376.435 3.845 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)c1C#N ZINC000612174561 835777933 /nfs/dbraw/zinc/77/79/33/835777933.db2.gz HBGUGHZGUVHEGE-FQEVSTJZSA-N 1 2 376.435 3.845 20 30 GHEDLO COc1c(C)c[nH+]c(CNC(=O)Nc2cc(C#N)ccc2OC(F)F)c1C ZINC000102803234 835994066 /nfs/dbraw/zinc/99/40/66/835994066.db2.gz DHVVFZGIRLWTJW-UHFFFAOYSA-N 1 2 376.363 3.502 20 30 GHEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000187205612 836190466 /nfs/dbraw/zinc/19/04/66/836190466.db2.gz BVPVBCMHNJYJDC-UHFFFAOYSA-N 1 2 385.870 3.879 20 30 GHEDLO C[C@H](O[NH+]=C(N)c1ccc(OCc2cccnc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000178154814 836438380 /nfs/dbraw/zinc/43/83/80/836438380.db2.gz WDTAUUGDDUILTR-HNNXBMFYSA-N 1 2 392.415 3.967 20 30 GHEDLO COc1ccccc1[C@H]1CC[C@@H](C)C[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000510211872 836773349 /nfs/dbraw/zinc/77/33/49/836773349.db2.gz NMIJRIUQNKJLJC-DYESRHJHSA-N 1 2 398.528 3.814 20 30 GHEDLO COc1ccccc1[C@H]1CC[C@@H](C)C[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000510211872 836773354 /nfs/dbraw/zinc/77/33/54/836773354.db2.gz NMIJRIUQNKJLJC-DYESRHJHSA-N 1 2 398.528 3.814 20 30 GHEDLO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000177504754 837966470 /nfs/dbraw/zinc/96/64/70/837966470.db2.gz KZZZCUXPWIIONU-UHFFFAOYSA-N 1 2 390.256 3.839 20 30 GHEDLO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000177504754 837966477 /nfs/dbraw/zinc/96/64/77/837966477.db2.gz KZZZCUXPWIIONU-UHFFFAOYSA-N 1 2 390.256 3.839 20 30 GHEDLO C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(N2CCCC2=O)cc1 ZINC000181348229 837980093 /nfs/dbraw/zinc/98/00/93/837980093.db2.gz PHHWJZZRCZGJBT-OAHLLOKOSA-N 1 2 387.443 3.586 20 30 GHEDLO C[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(N2CCCC2=O)cc1 ZINC000181348209 837980342 /nfs/dbraw/zinc/98/03/42/837980342.db2.gz PHHWJZZRCZGJBT-HNNXBMFYSA-N 1 2 387.443 3.586 20 30 GHEDLO Cc1cccn2c(/C=C3\COC/C(=C\c4c[nH+]c5c(C)cccn45)C3=O)cnc12 ZINC000255133028 838291798 /nfs/dbraw/zinc/29/17/98/838291798.db2.gz KHFCMXPGWCJVJB-BEQMOXJMSA-N 1 2 384.439 3.665 20 30 GHEDLO C[C@H]1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000122794015 838361428 /nfs/dbraw/zinc/36/14/28/838361428.db2.gz JNNVGMREMSVZTP-JXFKEZNVSA-N 1 2 390.443 3.650 20 30 GHEDLO N#CC1(c2ccccn2)CC[NH+](CCOc2ccccc2Br)CC1 ZINC000376595323 838413894 /nfs/dbraw/zinc/41/38/94/838413894.db2.gz MLLYFVKKIRISRD-UHFFFAOYSA-N 1 2 386.293 3.780 20 30 GHEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000783088128 838584904 /nfs/dbraw/zinc/58/49/04/838584904.db2.gz HAKGYQLSQPKDQU-KRWDZBQOSA-N 1 2 381.480 3.898 20 30 GHEDLO CC[C@H]1Cc2c(Br)cccc2C[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000580075596 838818235 /nfs/dbraw/zinc/81/82/35/838818235.db2.gz QCBANLRINASFEB-INIZCTEOSA-N 1 2 396.292 3.700 20 30 GHEDLO CC[C@H]1Cc2c(Br)cccc2C[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000580075596 838818256 /nfs/dbraw/zinc/81/82/56/838818256.db2.gz QCBANLRINASFEB-INIZCTEOSA-N 1 2 396.292 3.700 20 30 GHEDLO C[N@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)Nc1ccc(C#N)cc1)CC2 ZINC000275804648 839021189 /nfs/dbraw/zinc/02/11/89/839021189.db2.gz SZPWLTLFSPWLTG-QGZVFWFLSA-N 1 2 381.505 3.533 20 30 GHEDLO C[N@@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)Nc1ccc(C#N)cc1)CC2 ZINC000275804648 839021197 /nfs/dbraw/zinc/02/11/97/839021197.db2.gz SZPWLTLFSPWLTG-QGZVFWFLSA-N 1 2 381.505 3.533 20 30 GHEDLO Cc1cc(C#N)ccc1C[N@H+](CC(N)=O)Cc1ccc(OCc2ccccc2)cc1 ZINC000614402882 844437380 /nfs/dbraw/zinc/43/73/80/844437380.db2.gz OCGWPZNNJDGPQS-UHFFFAOYSA-N 1 2 399.494 3.933 20 30 GHEDLO Cc1cc(C#N)ccc1C[N@@H+](CC(N)=O)Cc1ccc(OCc2ccccc2)cc1 ZINC000614402882 844437385 /nfs/dbraw/zinc/43/73/85/844437385.db2.gz OCGWPZNNJDGPQS-UHFFFAOYSA-N 1 2 399.494 3.933 20 30 GHEDLO N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1F ZINC000119119035 839581531 /nfs/dbraw/zinc/58/15/31/839581531.db2.gz RPWCEOLTZSZOHV-AWEZNQCLSA-N 1 2 376.391 3.887 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[C@H](C#N)c3nc4ccccc4[nH]3)cc2)C[C@H](C)O1 ZINC000580732815 840083347 /nfs/dbraw/zinc/08/33/47/840083347.db2.gz KNCWJUGUJHEGGQ-FCEWJHQRSA-N 1 2 388.471 3.662 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2ccc(C(=O)[C@H](C#N)c3nc4ccccc4[nH]3)cc2)C[C@H](C)O1 ZINC000580732815 840083351 /nfs/dbraw/zinc/08/33/51/840083351.db2.gz KNCWJUGUJHEGGQ-FCEWJHQRSA-N 1 2 388.471 3.662 20 30 GHEDLO Cc1ccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)c(OCCCC(C)C)c1 ZINC000124382566 840934588 /nfs/dbraw/zinc/93/45/88/840934588.db2.gz WISOHVRDFAIWQK-QFIPXVFZSA-N 1 2 379.504 3.998 20 30 GHEDLO CC1(C)CO[C@H](c2cccc(Cl)c2)C[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599468849 861217206 /nfs/dbraw/zinc/21/72/06/861217206.db2.gz QSSGWZPXFMKHIO-OALUTQOASA-N 1 2 392.927 3.563 20 30 GHEDLO CC1(C)CO[C@H](c2cccc(Cl)c2)C[N@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599468849 861217219 /nfs/dbraw/zinc/21/72/19/861217219.db2.gz QSSGWZPXFMKHIO-OALUTQOASA-N 1 2 392.927 3.563 20 30 GHEDLO N#Cc1ccccc1OC1CCC(NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000329271300 861231257 /nfs/dbraw/zinc/23/12/57/861231257.db2.gz IAAAIUNHPABXBA-DQVLVPHSSA-N 1 2 397.519 3.848 20 30 GHEDLO N#Cc1ccccc1OC1CCC(NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000329271300 861231266 /nfs/dbraw/zinc/23/12/66/861231266.db2.gz IAAAIUNHPABXBA-DQVLVPHSSA-N 1 2 397.519 3.848 20 30 GHEDLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)c(OC)c1 ZINC000015041908 841822521 /nfs/dbraw/zinc/82/25/21/841822521.db2.gz DNAZBTGHMQMAGT-CYBMUJFWSA-N 1 2 387.867 3.688 20 30 GHEDLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)c(OC)c1 ZINC000015041908 841822535 /nfs/dbraw/zinc/82/25/35/841822535.db2.gz DNAZBTGHMQMAGT-CYBMUJFWSA-N 1 2 387.867 3.688 20 30 GHEDLO Cc1cccn2cc(CC(=O)Nc3ccc(Oc4ccc(C#N)cn4)cc3)[nH+]c12 ZINC001125523553 841872350 /nfs/dbraw/zinc/87/23/50/841872350.db2.gz LMKJXNZEGLKSRC-UHFFFAOYSA-N 1 2 383.411 3.883 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC2(CCCC2=O)CC1 ZINC000661960310 842406159 /nfs/dbraw/zinc/40/61/59/842406159.db2.gz RGJOLCPKECALSH-INIZCTEOSA-N 1 2 385.533 3.855 20 30 GHEDLO CC(C)(CNC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1)[NH+]1CCCCC1 ZINC000329344509 861308284 /nfs/dbraw/zinc/30/82/84/861308284.db2.gz QNSVTVROUZNPSL-GOSISDBHSA-N 1 2 396.539 3.787 20 30 GHEDLO N#Cc1cccc(C[NH2+]Cc2c(Br)cncc2Br)c1 ZINC000394652448 842554385 /nfs/dbraw/zinc/55/43/85/842554385.db2.gz VAKXQXGRHGXCEX-UHFFFAOYSA-N 1 2 381.071 3.768 20 30 GHEDLO CCC[N@H+](CC(=O)N(CC)CCC#N)[C@H](C)c1ccccc1Br ZINC000603889733 861332817 /nfs/dbraw/zinc/33/28/17/861332817.db2.gz OFWFWUVSVPAQNU-OAHLLOKOSA-N 1 2 380.330 3.984 20 30 GHEDLO CCC[N@@H+](CC(=O)N(CC)CCC#N)[C@H](C)c1ccccc1Br ZINC000603889733 861332835 /nfs/dbraw/zinc/33/28/35/861332835.db2.gz OFWFWUVSVPAQNU-OAHLLOKOSA-N 1 2 380.330 3.984 20 30 GHEDLO CCOc1ccc(C#N)cc1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279207921 842715796 /nfs/dbraw/zinc/71/57/96/842715796.db2.gz XYIVUJZLCPLWTH-UHFFFAOYSA-N 1 2 393.491 3.901 20 30 GHEDLO Cn1nc2c(c1C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1)COCC2 ZINC000891736958 842777734 /nfs/dbraw/zinc/77/77/34/842777734.db2.gz SCQJIKANAJLOAZ-UHFFFAOYSA-N 1 2 390.462 3.706 20 30 GHEDLO Cn1nc2c(c1C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1)COCC2 ZINC000891736958 842777744 /nfs/dbraw/zinc/77/77/44/842777744.db2.gz SCQJIKANAJLOAZ-UHFFFAOYSA-N 1 2 390.462 3.706 20 30 GHEDLO CS(=O)(=O)c1cccc([C@H]([NH2+]CC2(CC#N)CC2)c2ccc(F)cc2F)c1 ZINC000430745227 842918892 /nfs/dbraw/zinc/91/88/92/842918892.db2.gz WJDJLUHNPSNOTK-IBGZPJMESA-N 1 2 390.455 3.741 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000512214144 843111626 /nfs/dbraw/zinc/11/16/26/843111626.db2.gz UWFGPPHRMXGVNH-IBGZPJMESA-N 1 2 392.858 3.748 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000512214144 843111636 /nfs/dbraw/zinc/11/16/36/843111636.db2.gz UWFGPPHRMXGVNH-IBGZPJMESA-N 1 2 392.858 3.748 20 30 GHEDLO C=C(C)Cn1c(C2CCC2)nnc1N1CC[NH+](Cc2cc(F)ccc2OC)CC1 ZINC000549658204 843135384 /nfs/dbraw/zinc/13/53/84/843135384.db2.gz RPBGPZOQPRZEKT-UHFFFAOYSA-N 1 2 399.514 3.592 20 30 GHEDLO C[C@H](c1cccc(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)c1)[NH+]1CCOCC1 ZINC000481441928 861398876 /nfs/dbraw/zinc/39/88/76/861398876.db2.gz WRYFYTPZZZHWTG-QGZVFWFLSA-N 1 2 393.487 3.748 20 30 GHEDLO N#CC1(NC(=O)C[N@H+]2CCC[C@H]2c2ccccc2Br)CCCCC1 ZINC000610676198 843506879 /nfs/dbraw/zinc/50/68/79/843506879.db2.gz DYSJISFJNIUQFR-KRWDZBQOSA-N 1 2 390.325 3.929 20 30 GHEDLO N#CC1(NC(=O)C[N@@H+]2CCC[C@H]2c2ccccc2Br)CCCCC1 ZINC000610676198 843506889 /nfs/dbraw/zinc/50/68/89/843506889.db2.gz DYSJISFJNIUQFR-KRWDZBQOSA-N 1 2 390.325 3.929 20 30 GHEDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2cncc(-c3ccccc3)n2)CC1 ZINC000329449316 861444082 /nfs/dbraw/zinc/44/40/82/861444082.db2.gz LHLHYSTXGBCGQA-KRWDZBQOSA-N 1 2 379.508 3.553 20 30 GHEDLO C[C@H](C(=O)N1CCSc2ccccc21)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599676317 861471365 /nfs/dbraw/zinc/47/13/65/861471365.db2.gz AKTFVRWIYJFFAZ-MRXNPFEDSA-N 1 2 377.513 3.638 20 30 GHEDLO C[C@H](C(=O)N1CCSc2ccccc21)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599676317 861471375 /nfs/dbraw/zinc/47/13/75/861471375.db2.gz AKTFVRWIYJFFAZ-MRXNPFEDSA-N 1 2 377.513 3.638 20 30 GHEDLO C[C@@H](C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1)[NH+]1CCSCC1 ZINC000152115111 844759731 /nfs/dbraw/zinc/75/97/31/844759731.db2.gz OFXDUQKVHUBVNA-INIZCTEOSA-N 1 2 381.501 3.513 20 30 GHEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc2nc(C(F)F)sc2c1 ZINC000329471697 861494437 /nfs/dbraw/zinc/49/44/37/861494437.db2.gz ZRLIRDLGBPVAGT-WCQYABFASA-N 1 2 396.463 3.574 20 30 GHEDLO COc1cc(C(=O)N2CC[NH+](Cc3ccc(C(C)(C)C#N)cc3)CC2)ccc1C ZINC000614160850 844794959 /nfs/dbraw/zinc/79/49/59/844794959.db2.gz LWKCBYUUDQWVCO-UHFFFAOYSA-N 1 2 391.515 3.763 20 30 GHEDLO Cc1ccc([C@H](CN=Cc2cc3ccccc3[nH]c2=O)[NH+]2CCOCC2)cc1 ZINC000255427987 844927401 /nfs/dbraw/zinc/92/74/01/844927401.db2.gz BBWPYCHQZDLYJM-IOOSODASSA-N 1 2 375.472 3.741 20 30 GHEDLO Cc1ccc2ncc(/C=C3\COC/C(=C\c4c[nH+]c5ccc(C)cn45)C3=O)n2c1 ZINC000178768408 845534245 /nfs/dbraw/zinc/53/42/45/845534245.db2.gz TZNQEEPVAIDQBR-ZEELXFFVSA-N 1 2 384.439 3.665 20 30 GHEDLO Cc1sc2ncnc(N3CC[NH+]([C@H](C)C(=O)NC4CCCC4)CC3)c2c1C ZINC000329022839 845535843 /nfs/dbraw/zinc/53/58/43/845535843.db2.gz UFJMSFBWTBKSJC-CQSZACIVSA-N 1 2 387.553 3.718 20 30 GHEDLO CC(C)COc1ccccc1C[N@@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000513665282 846231995 /nfs/dbraw/zinc/23/19/95/846231995.db2.gz COEAFDZEOYRDAI-MBSDFSHPSA-N 1 2 375.472 3.567 20 30 GHEDLO CC(C)COc1ccccc1C[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000513665282 846232010 /nfs/dbraw/zinc/23/20/10/846232010.db2.gz COEAFDZEOYRDAI-MBSDFSHPSA-N 1 2 375.472 3.567 20 30 GHEDLO Cc1cccc(N2CC[NH+](CC(=O)N(CCC#N)c3cccc(C)c3C)CC2)c1 ZINC000501583151 847024597 /nfs/dbraw/zinc/02/45/97/847024597.db2.gz VYABHJSIIPEOAE-UHFFFAOYSA-N 1 2 390.531 3.681 20 30 GHEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCc2ccc(C#N)s2)C[C@@H](C)O1 ZINC000421048206 847663560 /nfs/dbraw/zinc/66/35/60/847663560.db2.gz TZKDWGSBNQRZAD-HUUCEWRRSA-N 1 2 384.505 3.551 20 30 GHEDLO Cc1nnc([C@H](C)[N@@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)s1 ZINC000329654474 861915335 /nfs/dbraw/zinc/91/53/35/861915335.db2.gz FHFMWRBJPMJKTG-JSGCOSHPSA-N 1 2 377.489 3.785 20 30 GHEDLO Cc1nnc([C@H](C)[N@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)s1 ZINC000329654474 861915354 /nfs/dbraw/zinc/91/53/54/861915354.db2.gz FHFMWRBJPMJKTG-JSGCOSHPSA-N 1 2 377.489 3.785 20 30 GHEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC(=O)CC34CCC4)sc2C1 ZINC000573134605 848879846 /nfs/dbraw/zinc/87/98/46/848879846.db2.gz ODPWPPYKJIYVNM-CQSZACIVSA-N 1 2 385.533 3.661 20 30 GHEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCC(=O)CC34CCC4)sc2C1 ZINC000573134605 848879854 /nfs/dbraw/zinc/87/98/54/848879854.db2.gz ODPWPPYKJIYVNM-CQSZACIVSA-N 1 2 385.533 3.661 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438983 849437543 /nfs/dbraw/zinc/43/75/43/849437543.db2.gz TUKPVIULCVOGIW-NSHDSACASA-N 1 2 375.444 3.846 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438983 849437548 /nfs/dbraw/zinc/43/75/48/849437548.db2.gz TUKPVIULCVOGIW-NSHDSACASA-N 1 2 375.444 3.846 20 30 GHEDLO CC(C)(CCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000513811223 849944187 /nfs/dbraw/zinc/94/41/87/849944187.db2.gz ODKPMCGZUCQIJZ-UHFFFAOYSA-N 1 2 375.516 3.960 20 30 GHEDLO CCOc1ccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cc1OCC ZINC000434987281 849973876 /nfs/dbraw/zinc/97/38/76/849973876.db2.gz MGANRSYYXUFYPY-OAQYLSRUSA-N 1 2 379.504 3.866 20 30 GHEDLO N#CCCn1cc(C[N@H+]2CCc3c(F)cc(F)cc3C2)c(-c2ccncc2)n1 ZINC000435136064 850118669 /nfs/dbraw/zinc/11/86/69/850118669.db2.gz XYWZUGBUHSYTRX-UHFFFAOYSA-N 1 2 379.414 3.695 20 30 GHEDLO N#CCCn1cc(C[N@@H+]2CCc3c(F)cc(F)cc3C2)c(-c2ccncc2)n1 ZINC000435136064 850118678 /nfs/dbraw/zinc/11/86/78/850118678.db2.gz XYWZUGBUHSYTRX-UHFFFAOYSA-N 1 2 379.414 3.695 20 30 GHEDLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C#N)cs1 ZINC000439782953 850388033 /nfs/dbraw/zinc/38/80/33/850388033.db2.gz OAJHNRYBRHMOMC-KXBFYZLASA-N 1 2 382.533 3.696 20 30 GHEDLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C#N)cs1 ZINC000439782953 850388043 /nfs/dbraw/zinc/38/80/43/850388043.db2.gz OAJHNRYBRHMOMC-KXBFYZLASA-N 1 2 382.533 3.696 20 30 GHEDLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc(CC#N)c1 ZINC000439812015 850444897 /nfs/dbraw/zinc/44/48/97/850444897.db2.gz WCRIHJBJXAPYQO-JPYJTQIMSA-N 1 2 390.531 3.829 20 30 GHEDLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc(CC#N)c1 ZINC000439812015 850444905 /nfs/dbraw/zinc/44/49/05/850444905.db2.gz WCRIHJBJXAPYQO-JPYJTQIMSA-N 1 2 390.531 3.829 20 30 GHEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2ccc(C#N)s2)cc1 ZINC000487307866 850657243 /nfs/dbraw/zinc/65/72/43/850657243.db2.gz GXYAQNCDHKESFQ-UHFFFAOYSA-N 1 2 394.500 3.948 20 30 GHEDLO C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000487315828 850687688 /nfs/dbraw/zinc/68/76/88/850687688.db2.gz YZGPSTNBHMHURL-HXUWFJFHSA-N 1 2 396.535 3.974 20 30 GHEDLO C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000487315828 850687695 /nfs/dbraw/zinc/68/76/95/850687695.db2.gz YZGPSTNBHMHURL-HXUWFJFHSA-N 1 2 396.535 3.974 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC000027882358 850750952 /nfs/dbraw/zinc/75/09/52/850750952.db2.gz HDCDEKVKSIRYTL-NRFANRHFSA-N 1 2 390.531 3.761 20 30 GHEDLO CC[C@@H](C)c1ccc(S(=O)(=O)N2CC[NH+](CC(C)(C)CCC#N)CC2)cc1 ZINC000506808786 850964389 /nfs/dbraw/zinc/96/43/89/850964389.db2.gz ZORUCRSLVAOYQZ-GOSISDBHSA-N 1 2 391.581 3.836 20 30 GHEDLO Cc1nc(N2CC[NH+]([C@@H](C)c3ccc(Br)cc3)CC2)ccc1C#N ZINC000488068265 851119705 /nfs/dbraw/zinc/11/97/05/851119705.db2.gz SDYNWXIYOFXQBL-HNNXBMFYSA-N 1 2 385.309 3.907 20 30 GHEDLO N#Cc1cnc2c(F)cc(F)cc2c1NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000488307798 851395891 /nfs/dbraw/zinc/39/58/91/851395891.db2.gz SIJRQXCECWEIHG-HXUWFJFHSA-N 1 2 394.425 3.870 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000556687460 862264425 /nfs/dbraw/zinc/26/44/25/862264425.db2.gz XEMZQDLDPDEBLQ-VQTJNVASSA-N 1 2 396.441 3.570 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000556687460 862264440 /nfs/dbraw/zinc/26/44/40/862264440.db2.gz XEMZQDLDPDEBLQ-VQTJNVASSA-N 1 2 396.441 3.570 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@H](Oc3ncccc3F)C2)c1 ZINC000488989925 851910641 /nfs/dbraw/zinc/91/06/41/851910641.db2.gz FRMLOBPPKPGYDF-HNNXBMFYSA-N 1 2 390.256 3.898 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)c1 ZINC000488989925 851910648 /nfs/dbraw/zinc/91/06/48/851910648.db2.gz FRMLOBPPKPGYDF-HNNXBMFYSA-N 1 2 390.256 3.898 20 30 GHEDLO C=CCOc1cccc(NC(=O)[C@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000517717441 852301009 /nfs/dbraw/zinc/30/10/09/852301009.db2.gz LSAUDENKMDELCA-KRWDZBQOSA-N 1 2 383.467 3.540 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@H](CC#N)c2ccccc2)[C@@H](C)C1 ZINC001270152922 852601002 /nfs/dbraw/zinc/60/10/02/852601002.db2.gz BVNWSEROVDCEKT-SIKLNZKXSA-N 1 2 391.515 3.815 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@H](CC#N)c2ccccc2)[C@@H](C)C1 ZINC001270152922 852601008 /nfs/dbraw/zinc/60/10/08/852601008.db2.gz BVNWSEROVDCEKT-SIKLNZKXSA-N 1 2 391.515 3.815 20 30 GHEDLO COCCOc1ccccc1N1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000489898896 852632707 /nfs/dbraw/zinc/63/27/07/852632707.db2.gz UFGXVZZNIUEHHL-UHFFFAOYSA-N 1 2 384.907 3.539 20 30 GHEDLO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@H+](C)[C@@H]3CCOC3)sc2C1 ZINC000427024385 852644496 /nfs/dbraw/zinc/64/44/96/852644496.db2.gz SLSVVBVSBIXLRZ-HUUCEWRRSA-N 1 2 389.565 3.820 20 30 GHEDLO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@@H+](C)[C@@H]3CCOC3)sc2C1 ZINC000427024385 852644501 /nfs/dbraw/zinc/64/45/01/852644501.db2.gz SLSVVBVSBIXLRZ-HUUCEWRRSA-N 1 2 389.565 3.820 20 30 GHEDLO N#Cc1ccc(CSc2nnc(NCc3cccc4[nH+]ccn43)s2)cc1 ZINC000192968581 852757524 /nfs/dbraw/zinc/75/75/24/852757524.db2.gz FUFGMLJPCFRILW-UHFFFAOYSA-N 1 2 378.486 3.962 20 30 GHEDLO CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[NH+]2CCN(c3ccccc3C#N)CC2)cc1 ZINC000507298459 852760462 /nfs/dbraw/zinc/76/04/62/852760462.db2.gz TYKDQHUIZYKQBW-RTBURBONSA-N 1 2 390.531 3.509 20 30 GHEDLO CC[N@H+](Cc1ccc(C#N)cc1OC(F)F)[C@H]1CCN(c2ccccc2)C1=O ZINC000437156264 852807746 /nfs/dbraw/zinc/80/77/46/852807746.db2.gz OKZCCFWYTYXCBZ-SFHVURJKSA-N 1 2 385.414 3.787 20 30 GHEDLO CC[N@@H+](Cc1ccc(C#N)cc1OC(F)F)[C@H]1CCN(c2ccccc2)C1=O ZINC000437156264 852807750 /nfs/dbraw/zinc/80/77/50/852807750.db2.gz OKZCCFWYTYXCBZ-SFHVURJKSA-N 1 2 385.414 3.787 20 30 GHEDLO N#Cc1cccc(COc2cccc(C[NH2+]Cc3nnc4n3CCCCC4)c2)c1 ZINC000047697978 862415302 /nfs/dbraw/zinc/41/53/02/862415302.db2.gz YEQUUHAKBSDSQP-UHFFFAOYSA-N 1 2 387.487 3.745 20 30 GHEDLO C=CC[N@H+](Cc1nc(-c2ccsc2)no1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000518256262 853124028 /nfs/dbraw/zinc/12/40/28/853124028.db2.gz SFJQILDFIDBIGE-CQSZACIVSA-N 1 2 393.476 3.523 20 30 GHEDLO C=CC[N@@H+](Cc1nc(-c2ccsc2)no1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000518256262 853124036 /nfs/dbraw/zinc/12/40/36/853124036.db2.gz SFJQILDFIDBIGE-CQSZACIVSA-N 1 2 393.476 3.523 20 30 GHEDLO C=CCOc1cccc(C[NH+]2CCN(C(=O)c3ccccc3OCC)CC2)c1 ZINC000506566830 853626806 /nfs/dbraw/zinc/62/68/06/853626806.db2.gz AVSRQSVJZIBEPA-UHFFFAOYSA-N 1 2 380.488 3.608 20 30 GHEDLO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[N@H+](CCO)C3CC3)sc2C1 ZINC000426397889 853709391 /nfs/dbraw/zinc/70/93/91/853709391.db2.gz VHRKFERJRNIDNZ-AWEZNQCLSA-N 1 2 389.565 3.556 20 30 GHEDLO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[N@@H+](CCO)C3CC3)sc2C1 ZINC000426397889 853709398 /nfs/dbraw/zinc/70/93/98/853709398.db2.gz VHRKFERJRNIDNZ-AWEZNQCLSA-N 1 2 389.565 3.556 20 30 GHEDLO O=C(N[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)c1cc2ccccc2o1 ZINC000440934136 853765181 /nfs/dbraw/zinc/76/51/81/853765181.db2.gz IPWXKLZJABDHNP-HXUWFJFHSA-N 1 2 376.431 3.818 20 30 GHEDLO O=C(N[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)c1cc2ccccc2o1 ZINC000440934136 853765187 /nfs/dbraw/zinc/76/51/87/853765187.db2.gz IPWXKLZJABDHNP-HXUWFJFHSA-N 1 2 376.431 3.818 20 30 GHEDLO N#Cc1cccc(OCCCCC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000520378766 854148253 /nfs/dbraw/zinc/14/82/53/854148253.db2.gz QZXJTIQYRFVEMA-UHFFFAOYSA-N 1 2 388.471 3.669 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)c([N+](=O)[O-])c1 ZINC000571885299 854174078 /nfs/dbraw/zinc/17/40/78/854174078.db2.gz IZJLQZNEALZVEE-UHFFFAOYSA-N 1 2 385.370 3.840 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCC23CCOCC3)[C@H]1c1ccc(F)c(F)c1 ZINC000328651317 854489999 /nfs/dbraw/zinc/48/99/99/854489999.db2.gz JOMNTQIWLPCHBK-IPMKNSEASA-N 1 2 393.478 3.563 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCCC23CCOCC3)[C@H]1c1ccc(F)c(F)c1 ZINC000328651317 854490004 /nfs/dbraw/zinc/49/00/04/854490004.db2.gz JOMNTQIWLPCHBK-IPMKNSEASA-N 1 2 393.478 3.563 20 30 GHEDLO C[C@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)C(=O)N1CCCC[C@H]1C ZINC000328838754 854570423 /nfs/dbraw/zinc/57/04/23/854570423.db2.gz NYQGFUSFBXCUDR-AOIWGVFYSA-N 1 2 389.565 3.523 20 30 GHEDLO C=CC[C@H](C)NC(=O)c1cccnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000604880253 862593864 /nfs/dbraw/zinc/59/38/64/862593864.db2.gz KTUNBGJJYNLCEM-KRWDZBQOSA-N 1 2 398.938 3.752 20 30 GHEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)Cc1csc(Br)c1 ZINC000330938430 854781363 /nfs/dbraw/zinc/78/13/63/854781363.db2.gz BYIMUCLRFVTYLS-LBPRGKRZSA-N 1 2 384.343 3.674 20 30 GHEDLO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)Cc1csc(Br)c1 ZINC000330938430 854781371 /nfs/dbraw/zinc/78/13/71/854781371.db2.gz BYIMUCLRFVTYLS-LBPRGKRZSA-N 1 2 384.343 3.674 20 30 GHEDLO C#CCOc1ccccc1NC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000186263542 854810874 /nfs/dbraw/zinc/81/08/74/854810874.db2.gz HZTSGYVDOZDYCS-ROUUACIJSA-N 1 2 393.487 3.952 20 30 GHEDLO C[C@@H]1C[N@H+](CC(=O)NCCc2ccc(C(C)(C)C)cc2)C[C@]2(CCCOC2)O1 ZINC000330142625 862610641 /nfs/dbraw/zinc/61/06/41/862610641.db2.gz YLFINPADVGUMGS-JPYJTQIMSA-N 1 2 388.552 3.753 20 30 GHEDLO C[C@@H]1C[N@@H+](CC(=O)NCCc2ccc(C(C)(C)C)cc2)C[C@]2(CCCOC2)O1 ZINC000330142625 862610646 /nfs/dbraw/zinc/61/06/46/862610646.db2.gz YLFINPADVGUMGS-JPYJTQIMSA-N 1 2 388.552 3.753 20 30 GHEDLO C=CCN(Cc1cc(Br)ccc1F)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000572529694 854864295 /nfs/dbraw/zinc/86/42/95/854864295.db2.gz QQYFIAYBMSJIQN-CYBMUJFWSA-N 1 2 380.261 3.951 20 30 GHEDLO Cc1csc(NC(=O)N(Cc2ccccc2)[C@H](C)C[NH+]2CCOCC2)c1C#N ZINC000572538938 854868190 /nfs/dbraw/zinc/86/81/90/854868190.db2.gz NZFQKKPRVNLGIC-QGZVFWFLSA-N 1 2 398.532 3.683 20 30 GHEDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N[C@H]1CCOC2(CCCC2)C1 ZINC000330181478 862641682 /nfs/dbraw/zinc/64/16/82/862641682.db2.gz OCZIGLCCMXUWCX-HNNXBMFYSA-N 1 2 378.542 3.947 20 30 GHEDLO C=CCOc1ccc(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)cc1OC ZINC000129251476 855166499 /nfs/dbraw/zinc/16/64/99/855166499.db2.gz LIXBWQUPGRLGHV-UHFFFAOYSA-N 1 2 396.487 3.653 20 30 GHEDLO Cc1occc1C[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000055053428 855261777 /nfs/dbraw/zinc/26/17/77/855261777.db2.gz GKMRGRABDMLGJR-UHFFFAOYSA-N 1 2 380.448 3.590 20 30 GHEDLO Cc1occc1C[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000055053428 855261781 /nfs/dbraw/zinc/26/17/81/855261781.db2.gz GKMRGRABDMLGJR-UHFFFAOYSA-N 1 2 380.448 3.590 20 30 GHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)c(C)c1 ZINC000441493391 855409530 /nfs/dbraw/zinc/40/95/30/855409530.db2.gz SVVBTKGDDBQMCE-GCJKJVERSA-N 1 2 388.471 3.697 20 30 GHEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000056872939 855700507 /nfs/dbraw/zinc/70/05/07/855700507.db2.gz LYCKKHJKNOQHOJ-UHFFFAOYSA-N 1 2 390.487 3.838 20 30 GHEDLO C=CCOc1ccc(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)cc1OC ZINC000591254170 855827458 /nfs/dbraw/zinc/82/74/58/855827458.db2.gz SODFUIVJJZSIQQ-KRWDZBQOSA-N 1 2 396.487 3.906 20 30 GHEDLO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000554215569 855849114 /nfs/dbraw/zinc/84/91/14/855849114.db2.gz QOEGBABPEFDULQ-GOEBONIOSA-N 1 2 392.341 3.838 20 30 GHEDLO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000554215569 855849122 /nfs/dbraw/zinc/84/91/22/855849122.db2.gz QOEGBABPEFDULQ-GOEBONIOSA-N 1 2 392.341 3.838 20 30 GHEDLO N#Cc1c(Cl)cccc1SCC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000543959509 855850743 /nfs/dbraw/zinc/85/07/43/855850743.db2.gz FUTBLSTVNQDGKK-UHFFFAOYSA-N 1 2 392.937 3.995 20 30 GHEDLO CC(C)(C)n1cc(C#N)cc1NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000171153845 855991726 /nfs/dbraw/zinc/99/17/26/855991726.db2.gz ZMTDCJAPAUTSOB-UHFFFAOYSA-N 1 2 380.427 3.761 20 30 GHEDLO COc1cc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)ccc1OC(F)F ZINC000030967915 856132835 /nfs/dbraw/zinc/13/28/35/856132835.db2.gz LCXJUZBDSVKDIY-UHFFFAOYSA-N 1 2 391.393 3.630 20 30 GHEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000591869369 856394069 /nfs/dbraw/zinc/39/40/69/856394069.db2.gz GFQIIEAOYCFEJG-UTKZUKDTSA-N 1 2 387.487 3.978 20 30 GHEDLO CC(C)c1[nH+]ccn1Cc1cccc(NS(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000427746666 856661514 /nfs/dbraw/zinc/66/15/14/856661514.db2.gz IKJGOWVEDXXVEZ-UHFFFAOYSA-N 1 2 398.463 3.866 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3ncc(C#N)cc3Cl)n2)C1 ZINC000485901614 857212057 /nfs/dbraw/zinc/21/20/57/857212057.db2.gz UGDAHSXCFMFLCE-LLVKDONJSA-N 1 2 375.885 3.547 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ncc(C#N)cc3Cl)n2)C1 ZINC000485901614 857212066 /nfs/dbraw/zinc/21/20/66/857212066.db2.gz UGDAHSXCFMFLCE-LLVKDONJSA-N 1 2 375.885 3.547 20 30 GHEDLO N#Cc1cccc(NC(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000043329806 857328088 /nfs/dbraw/zinc/32/80/88/857328088.db2.gz XZQOKLYPSPSVQS-UHFFFAOYSA-N 1 2 388.393 3.927 20 30 GHEDLO CCCc1c(NC(=O)C(C)(C)n2c[nH+]c(C)c2)cnn1-c1cccc(C#N)c1 ZINC000907623840 857706998 /nfs/dbraw/zinc/70/69/98/857706998.db2.gz NLLDWOHFZACOIC-UHFFFAOYSA-N 1 2 376.464 3.575 20 30 GHEDLO N#Cc1cnc(C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)c(Cl)c1 ZINC000907813864 857788208 /nfs/dbraw/zinc/78/82/08/857788208.db2.gz AWVWKUGBGGPTKH-AWEZNQCLSA-N 1 2 383.883 3.665 20 30 GHEDLO N#Cc1cnc(C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)c(Cl)c1 ZINC000907813864 857788215 /nfs/dbraw/zinc/78/82/15/857788215.db2.gz AWVWKUGBGGPTKH-AWEZNQCLSA-N 1 2 383.883 3.665 20 30 GHEDLO Cc1c(C(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)cnn1-c1cc(C)ccc1C ZINC000330335031 862979957 /nfs/dbraw/zinc/97/99/57/862979957.db2.gz RDCTYBPZSYQOBZ-DYESRHJHSA-N 1 2 393.491 3.756 20 30 GHEDLO Cc1cc(C#N)nc(NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000574592999 858075792 /nfs/dbraw/zinc/07/57/92/858075792.db2.gz KTQKCYGCGUBXKF-UHFFFAOYSA-N 1 2 380.455 3.603 20 30 GHEDLO N#Cc1ccc(N2CCN(c3cc[nH+]c4c(Br)cccc34)CC2)nc1 ZINC000171026580 862992009 /nfs/dbraw/zinc/99/20/09/862992009.db2.gz OMSKRKHNVOXJDW-UHFFFAOYSA-N 1 2 394.276 3.591 20 30 GHEDLO N#Cc1cnc2c(F)c(F)c(F)cc2c1NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000439096049 858322375 /nfs/dbraw/zinc/32/23/75/858322375.db2.gz BZWQANHYCSTIFS-UHFFFAOYSA-N 1 2 397.335 3.883 20 30 GHEDLO C[C@@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000595518326 858550620 /nfs/dbraw/zinc/55/06/20/858550620.db2.gz VHWVYWKYJZVMOV-WMLDXEAASA-N 1 2 398.894 3.715 20 30 GHEDLO C[C@@H](c1nc2ccc(Cl)cc2[nH]1)[N@@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000595518326 858550626 /nfs/dbraw/zinc/55/06/26/858550626.db2.gz VHWVYWKYJZVMOV-WMLDXEAASA-N 1 2 398.894 3.715 20 30 GHEDLO CN(C(=O)C[N@@H+]1CCc2nc(-c3ccccc3)sc2C1)C1(C#N)CCCCC1 ZINC000595716303 858655925 /nfs/dbraw/zinc/65/59/25/858655925.db2.gz YGPVFLZKQHRZKU-UHFFFAOYSA-N 1 2 394.544 3.853 20 30 GHEDLO CN(C(=O)C[N@H+]1CCc2nc(-c3ccccc3)sc2C1)C1(C#N)CCCCC1 ZINC000595716303 858655928 /nfs/dbraw/zinc/65/59/28/858655928.db2.gz YGPVFLZKQHRZKU-UHFFFAOYSA-N 1 2 394.544 3.853 20 30 GHEDLO COc1cc(C(N)=[NH+]OCc2cc(F)cc3cccnc32)ccc1OC(F)F ZINC000059852727 858711047 /nfs/dbraw/zinc/71/10/47/858711047.db2.gz YIGHHFSHMFJQMC-UHFFFAOYSA-N 1 2 391.349 3.821 20 30 GHEDLO C[N@@H+]1CCO[C@@H]([C@@H](Nc2nc3ncccc3cc2C#N)c2ccc(Cl)cc2)C1 ZINC000596179297 858799640 /nfs/dbraw/zinc/79/96/40/858799640.db2.gz VSISRAWYCDIFJG-MOPGFXCFSA-N 1 2 393.878 3.639 20 30 GHEDLO C[N@H+]1CCO[C@@H]([C@@H](Nc2nc3ncccc3cc2C#N)c2ccc(Cl)cc2)C1 ZINC000596179297 858799650 /nfs/dbraw/zinc/79/96/50/858799650.db2.gz VSISRAWYCDIFJG-MOPGFXCFSA-N 1 2 393.878 3.639 20 30 GHEDLO C[C@@H](CC#N)[N@H+](C)CCOc1c(Br)cccc1Br ZINC000482741226 858812367 /nfs/dbraw/zinc/81/23/67/858812367.db2.gz KZGCYZRVKPOXPH-JTQLQIEISA-N 1 2 376.092 3.824 20 30 GHEDLO C[C@@H](CC#N)[N@@H+](C)CCOc1c(Br)cccc1Br ZINC000482741226 858812370 /nfs/dbraw/zinc/81/23/70/858812370.db2.gz KZGCYZRVKPOXPH-JTQLQIEISA-N 1 2 376.092 3.824 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc(Cc3c(F)cccc3C#N)n2)O1 ZINC000596614622 858969829 /nfs/dbraw/zinc/96/98/29/858969829.db2.gz VQFPPRJNKIDWHM-QRWLVFNGSA-N 1 2 392.434 3.633 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc(Cc3c(F)cccc3C#N)n2)O1 ZINC000596614622 858969838 /nfs/dbraw/zinc/96/98/38/858969838.db2.gz VQFPPRJNKIDWHM-QRWLVFNGSA-N 1 2 392.434 3.633 20 30 GHEDLO C[C@H]1C[N@H+](CCNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)[C@@H](C)CO1 ZINC000596726663 859057437 /nfs/dbraw/zinc/05/74/37/859057437.db2.gz KQBFUYUPBXWWDA-IRXDYDNUSA-N 1 2 394.475 3.581 20 30 GHEDLO C[C@H]1C[N@@H+](CCNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)[C@@H](C)CO1 ZINC000596726663 859057446 /nfs/dbraw/zinc/05/74/46/859057446.db2.gz KQBFUYUPBXWWDA-IRXDYDNUSA-N 1 2 394.475 3.581 20 30 GHEDLO C[N@H+](Cc1ccccc1OC(F)(F)F)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000025254744 859205829 /nfs/dbraw/zinc/20/58/29/859205829.db2.gz ZVVFEQGLLUMTPT-QGZVFWFLSA-N 1 2 389.377 3.694 20 30 GHEDLO C[N@@H+](Cc1ccccc1OC(F)(F)F)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000025254744 859205842 /nfs/dbraw/zinc/20/58/42/859205842.db2.gz ZVVFEQGLLUMTPT-QGZVFWFLSA-N 1 2 389.377 3.694 20 30 GHEDLO COCc1csc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c1 ZINC000597114836 859292137 /nfs/dbraw/zinc/29/21/37/859292137.db2.gz AYKCBFLPCDTEJF-LJQANCHMSA-N 1 2 375.925 3.930 20 30 GHEDLO CCOc1cc(C[N@@H+]2CC[C@](C)(C#N)C2)ccc1OCc1ccc(C(=O)OC)o1 ZINC000597232309 859366844 /nfs/dbraw/zinc/36/68/44/859366844.db2.gz SUKMNEIIAOMDCB-JOCHJYFZSA-N 1 2 398.459 3.779 20 30 GHEDLO CCOc1cc(C[N@H+]2CC[C@](C)(C#N)C2)ccc1OCc1ccc(C(=O)OC)o1 ZINC000597232309 859366848 /nfs/dbraw/zinc/36/68/48/859366848.db2.gz SUKMNEIIAOMDCB-JOCHJYFZSA-N 1 2 398.459 3.779 20 30 GHEDLO C[C@@H](c1nnc(Sc2ccc(C#N)nn2)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000611239279 859659702 /nfs/dbraw/zinc/65/97/02/859659702.db2.gz LCWDGCBJVHMHAK-HNNXBMFYSA-N 1 2 391.504 3.627 20 30 GHEDLO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000611346799 859721853 /nfs/dbraw/zinc/72/18/53/859721853.db2.gz KMWYECBYYJPUES-HKUYNNGSSA-N 1 2 393.535 3.569 20 30 GHEDLO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000611346799 859721855 /nfs/dbraw/zinc/72/18/55/859721855.db2.gz KMWYECBYYJPUES-HKUYNNGSSA-N 1 2 393.535 3.569 20 30 GHEDLO N#Cc1ccccc1-c1ccc(CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000611362974 859727900 /nfs/dbraw/zinc/72/79/00/859727900.db2.gz MOFONBNJMVJZAP-OAQYLSRUSA-N 1 2 385.471 3.968 20 30 GHEDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611552530 859808954 /nfs/dbraw/zinc/80/89/54/859808954.db2.gz CJZPSOJFNGZDSE-HRAATJIYSA-N 1 2 382.439 3.986 20 30 GHEDLO C#CCOc1ccc(F)cc1NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000765191057 859822871 /nfs/dbraw/zinc/82/28/71/859822871.db2.gz CLRXBSLGSGGTED-HNNXBMFYSA-N 1 2 387.480 3.810 20 30 GHEDLO N#Cc1ccccc1NC1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000602186591 859845785 /nfs/dbraw/zinc/84/57/85/859845785.db2.gz PKQNMCNRXJKLJZ-UHFFFAOYSA-N 1 2 385.471 3.520 20 30 GHEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)N1CCc2c(CC#N)cccc2C1)c1ccccc1 ZINC000602260859 859911545 /nfs/dbraw/zinc/91/15/45/859911545.db2.gz LSDGJLNJMIGBBI-JOCHJYFZSA-N 1 2 399.498 3.538 20 30 GHEDLO CC(C)(C)c1cc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(C#N)s1 ZINC000154253610 860037135 /nfs/dbraw/zinc/03/71/35/860037135.db2.gz JPTUTGXRWKNPNQ-KRWDZBQOSA-N 1 2 383.517 3.757 20 30 GHEDLO CC(C)(C)c1cc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(C#N)s1 ZINC000154253610 860037144 /nfs/dbraw/zinc/03/71/44/860037144.db2.gz JPTUTGXRWKNPNQ-KRWDZBQOSA-N 1 2 383.517 3.757 20 30 GHEDLO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1cccc(C#N)c1)c1ccccc1Cl ZINC000020000183 860462618 /nfs/dbraw/zinc/46/26/18/860462618.db2.gz NTYSUDYRHMKSCP-IBGZPJMESA-N 1 2 391.924 3.573 20 30 GHEDLO COc1cc(Br)c(C=NNc2cc[nH+]c3ccccc23)cc1OC ZINC000730147333 860898596 /nfs/dbraw/zinc/89/85/96/860898596.db2.gz BSMDFOKZJFGKND-UHFFFAOYSA-N 1 2 386.249 3.882 20 30 GHEDLO Cc1noc([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3nc4ccc(F)cc4s3)C2)n1 ZINC000329022848 860953821 /nfs/dbraw/zinc/95/38/21/860953821.db2.gz IMXYPRYXIQSTIR-MWLCHTKSSA-N 1 2 375.429 3.593 20 30 GHEDLO Cc1noc([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3nc4ccc(F)cc4s3)C2)n1 ZINC000329022848 860953835 /nfs/dbraw/zinc/95/38/35/860953835.db2.gz IMXYPRYXIQSTIR-MWLCHTKSSA-N 1 2 375.429 3.593 20 30 GHEDLO CC(=O)N1CC[N@H+](CC(=O)N[C@@H](c2ccccc2)C2CC2)CC12CCCCC2 ZINC000329030492 860961805 /nfs/dbraw/zinc/96/18/05/860961805.db2.gz LFCBJMDAQVLWPQ-QFIPXVFZSA-N 1 2 383.536 3.961 20 30 GHEDLO CC(=O)N1CC[N@@H+](CC(=O)N[C@@H](c2ccccc2)C2CC2)CC12CCCCC2 ZINC000329030492 860961821 /nfs/dbraw/zinc/96/18/21/860961821.db2.gz LFCBJMDAQVLWPQ-QFIPXVFZSA-N 1 2 383.536 3.961 20 30 GHEDLO CC(=O)N1CC[N@H+](CC(=O)N[C@@H]2CCCc3ccccc32)CC12CCCCC2 ZINC000329060389 860983733 /nfs/dbraw/zinc/98/37/33/860983733.db2.gz UOTVNBOOQLVADH-OAQYLSRUSA-N 1 2 383.536 3.888 20 30 GHEDLO CC(=O)N1CC[N@@H+](CC(=O)N[C@@H]2CCCc3ccccc32)CC12CCCCC2 ZINC000329060389 860983736 /nfs/dbraw/zinc/98/37/36/860983736.db2.gz UOTVNBOOQLVADH-OAQYLSRUSA-N 1 2 383.536 3.888 20 30 GHEDLO CO[C@@H]1[C@@H](C)[C@@H](NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1(C)C ZINC000329217445 861154124 /nfs/dbraw/zinc/15/41/24/861154124.db2.gz QDECKQDTVKHQTP-VHKYSDTDSA-N 1 2 380.492 3.796 20 30 GHEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ncc(C2CCCCC2)s1 ZINC000329234418 861179693 /nfs/dbraw/zinc/17/96/93/861179693.db2.gz HTGNYPSIYMKHPP-GDBMZVCRSA-N 1 2 378.542 3.531 20 30 GHEDLO C#CCCNC(=O)NC[C@H](c1ccc(SC)cc1)[N@@H+]1CCc2sccc2C1 ZINC000733642950 863092744 /nfs/dbraw/zinc/09/27/44/863092744.db2.gz WQGCJUJBRPDROK-LJQANCHMSA-N 1 2 399.585 3.892 20 30 GHEDLO C#CCCNC(=O)NC[C@H](c1ccc(SC)cc1)[N@H+]1CCc2sccc2C1 ZINC000733642950 863092757 /nfs/dbraw/zinc/09/27/57/863092757.db2.gz WQGCJUJBRPDROK-LJQANCHMSA-N 1 2 399.585 3.892 20 30 GHEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000593965613 863533158 /nfs/dbraw/zinc/53/31/58/863533158.db2.gz VVZSJZXQZULHHF-GBESFXJTSA-N 1 2 391.515 3.985 20 30 GHEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000593965613 863533168 /nfs/dbraw/zinc/53/31/68/863533168.db2.gz VVZSJZXQZULHHF-GBESFXJTSA-N 1 2 391.515 3.985 20 30 GHEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000594018091 863754812 /nfs/dbraw/zinc/75/48/12/863754812.db2.gz RITYSRQEGGZREE-XLIONFOSSA-N 1 2 376.504 3.676 20 30 GHEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000120728360 881693237 /nfs/dbraw/zinc/69/32/37/881693237.db2.gz FMQWPTLSKLKUPL-MRXNPFEDSA-N 1 2 392.377 3.959 20 30 GHEDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=S)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000734100231 863980622 /nfs/dbraw/zinc/98/06/22/863980622.db2.gz WMBVJLBJWFZFNT-AWEZNQCLSA-N 1 2 385.924 3.682 20 30 GHEDLO C=CC[C@H](NC(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1)c1ccncc1 ZINC000734677888 864378709 /nfs/dbraw/zinc/37/87/09/864378709.db2.gz AEMDWIICJCIZFC-NRFANRHFSA-N 1 2 394.519 3.543 20 30 GHEDLO C=CC[N@@H+](CC(=O)N(Cc1ccc(OC)cc1)C1CC1)Cc1cccc(C#N)c1 ZINC000063300554 864497928 /nfs/dbraw/zinc/49/79/28/864497928.db2.gz XQUBAJVKTIEBHK-UHFFFAOYSA-N 1 2 389.499 3.746 20 30 GHEDLO C=CC[N@H+](CC(=O)N(Cc1ccc(OC)cc1)C1CC1)Cc1cccc(C#N)c1 ZINC000063300554 864497932 /nfs/dbraw/zinc/49/79/32/864497932.db2.gz XQUBAJVKTIEBHK-UHFFFAOYSA-N 1 2 389.499 3.746 20 30 GHEDLO FC(F)(F)CN1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000156095957 864622219 /nfs/dbraw/zinc/62/22/19/864622219.db2.gz XCNAVZITMLSNMY-UHFFFAOYSA-N 1 2 380.332 3.507 20 30 GHEDLO FC(F)(F)CN1CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000156095957 864622222 /nfs/dbraw/zinc/62/22/22/864622222.db2.gz XCNAVZITMLSNMY-UHFFFAOYSA-N 1 2 380.332 3.507 20 30 GHEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792908438 881793924 /nfs/dbraw/zinc/79/39/24/881793924.db2.gz WANFWCBMVKCVLF-QBIMZIAESA-N 1 2 398.309 3.977 20 30 GHEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792908438 881793932 /nfs/dbraw/zinc/79/39/32/881793932.db2.gz WANFWCBMVKCVLF-QBIMZIAESA-N 1 2 398.309 3.977 20 30 GHEDLO CC(=NNC(=S)Nc1ccc(C)c(C)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000735610314 864878889 /nfs/dbraw/zinc/87/88/89/864878889.db2.gz NCMLGVXSSWWIJV-NRFANRHFSA-N 1 2 396.560 3.867 20 30 GHEDLO CC(=NNC(=S)Nc1ccc(C)c(C)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000735610314 864878901 /nfs/dbraw/zinc/87/89/01/864878901.db2.gz NCMLGVXSSWWIJV-NRFANRHFSA-N 1 2 396.560 3.867 20 30 GHEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000739904290 865825684 /nfs/dbraw/zinc/82/56/84/865825684.db2.gz QTTCCWQTMLZRJF-XLIONFOSSA-N 1 2 375.428 3.793 20 30 GHEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000739904290 865825701 /nfs/dbraw/zinc/82/57/01/865825701.db2.gz QTTCCWQTMLZRJF-XLIONFOSSA-N 1 2 375.428 3.793 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCCCCc3ccccc3)CC2)cc1 ZINC000609043223 865918062 /nfs/dbraw/zinc/91/80/62/865918062.db2.gz FTLAYTNTSFAEHM-UHFFFAOYSA-N 1 2 390.531 3.798 20 30 GHEDLO CCS(=O)(=O)Nc1ccc(C(=O)/C=C\c2c[nH+]c3ccc(Cl)cn23)cc1 ZINC000737444336 866764939 /nfs/dbraw/zinc/76/49/39/866764939.db2.gz PFHQUDSKIQVNFK-HJWRWDBZSA-N 1 2 389.864 3.645 20 30 GHEDLO C=CCn1c(-c2ccccn2)nnc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000508498557 866849423 /nfs/dbraw/zinc/84/94/23/866849423.db2.gz SYCBAVPXNSHVSM-UHFFFAOYSA-N 1 2 394.910 3.502 20 30 GHEDLO N#CCc1cccc(NC(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)c1 ZINC000455921927 866890932 /nfs/dbraw/zinc/89/09/32/866890932.db2.gz QDMJQRPHZIVYEC-KRWDZBQOSA-N 1 2 384.430 3.817 20 30 GHEDLO N#CCc1cccc(NC(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)c1 ZINC000455921927 866890946 /nfs/dbraw/zinc/89/09/46/866890946.db2.gz QDMJQRPHZIVYEC-KRWDZBQOSA-N 1 2 384.430 3.817 20 30 GHEDLO C[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1nc2ccccc2n1C(F)F ZINC000444657199 867013445 /nfs/dbraw/zinc/01/34/45/867013445.db2.gz BONRTCOYWZHGNQ-SNVBAGLBSA-N 1 2 375.404 3.654 20 30 GHEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444688857 867066193 /nfs/dbraw/zinc/06/61/93/867066193.db2.gz DLIAPPRUYPJDLN-AWEZNQCLSA-N 1 2 375.394 3.871 20 30 GHEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000444688857 867066208 /nfs/dbraw/zinc/06/62/08/867066208.db2.gz DLIAPPRUYPJDLN-AWEZNQCLSA-N 1 2 375.394 3.871 20 30 GHEDLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000534598385 867108207 /nfs/dbraw/zinc/10/82/07/867108207.db2.gz IYKQYCINONKAEK-OAQYLSRUSA-N 1 2 387.439 3.647 20 30 GHEDLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000534598385 867108217 /nfs/dbraw/zinc/10/82/17/867108217.db2.gz IYKQYCINONKAEK-OAQYLSRUSA-N 1 2 387.439 3.647 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc1cc(C)ccc1F ZINC000444726322 867150290 /nfs/dbraw/zinc/15/02/90/867150290.db2.gz AVQDHYDHABWSFC-KRWDZBQOSA-N 1 2 383.467 3.910 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc1cc(C)ccc1F ZINC000444726322 867150300 /nfs/dbraw/zinc/15/03/00/867150300.db2.gz AVQDHYDHABWSFC-KRWDZBQOSA-N 1 2 383.467 3.910 20 30 GHEDLO N#Cc1ccccc1N1CCC[N@@H+](CN2C(=O)C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000743355958 868106832 /nfs/dbraw/zinc/10/68/32/868106832.db2.gz JDPJSUXDHRZWIE-OAQYLSRUSA-N 1 2 394.906 3.655 20 30 GHEDLO N#Cc1ccccc1N1CCC[N@H+](CN2C(=O)C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000743355958 868106837 /nfs/dbraw/zinc/10/68/37/868106837.db2.gz JDPJSUXDHRZWIE-OAQYLSRUSA-N 1 2 394.906 3.655 20 30 GHEDLO N#CCCN(C(=O)C[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1)c1ccccc1 ZINC000157672552 868728700 /nfs/dbraw/zinc/72/87/00/868728700.db2.gz KOPDGCPCIPHVCZ-IBGZPJMESA-N 1 2 393.462 3.667 20 30 GHEDLO N#CCCN(C(=O)C[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1)c1ccccc1 ZINC000157672552 868728713 /nfs/dbraw/zinc/72/87/13/868728713.db2.gz KOPDGCPCIPHVCZ-IBGZPJMESA-N 1 2 393.462 3.667 20 30 GHEDLO CC[C@](C)([NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)c1nccs1 ZINC000744404191 868811507 /nfs/dbraw/zinc/81/15/07/868811507.db2.gz JNWSIVWASVRBHK-VLIAUNLRSA-N 1 2 377.473 3.595 20 30 GHEDLO CC[C@@H](C#N)Oc1cccc(CNC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)c1 ZINC000793509767 882231820 /nfs/dbraw/zinc/23/18/20/882231820.db2.gz OPSSJEXTGUYKBA-HNNXBMFYSA-N 1 2 398.413 3.620 20 30 GHEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000446518093 869949786 /nfs/dbraw/zinc/94/97/86/869949786.db2.gz NIUNXSBLPUWQHF-UHFFFAOYSA-N 1 2 388.880 3.511 20 30 GHEDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1ccc(Cl)c(C#N)c1 ZINC000538686207 870344527 /nfs/dbraw/zinc/34/45/27/870344527.db2.gz RVLIOISELIJEGN-KRWDZBQOSA-N 1 2 397.906 3.575 20 30 GHEDLO Cn1cc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)c(-c2cccs2)n1 ZINC000446910805 870700309 /nfs/dbraw/zinc/70/03/09/870700309.db2.gz DBSRUXGCMRACQA-UHFFFAOYSA-N 1 2 397.935 3.996 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(N(C)CC(F)F)CC1 ZINC000746482681 870851680 /nfs/dbraw/zinc/85/16/80/870851680.db2.gz QYECMTQTYPMLBO-UHFFFAOYSA-N 1 2 383.508 3.565 20 30 GHEDLO C=CCSc1ccccc1NC(=O)CN1CCC([N@H+](C)CC(F)F)CC1 ZINC000746482681 870851692 /nfs/dbraw/zinc/85/16/92/870851692.db2.gz QYECMTQTYPMLBO-UHFFFAOYSA-N 1 2 383.508 3.565 20 30 GHEDLO C=CCSc1ccccc1NC(=O)CN1CCC([N@@H+](C)CC(F)F)CC1 ZINC000746482681 870851698 /nfs/dbraw/zinc/85/16/98/870851698.db2.gz QYECMTQTYPMLBO-UHFFFAOYSA-N 1 2 383.508 3.565 20 30 GHEDLO Cc1[nH]c2ccccc2c1C1CC[NH+](Cn2cc3c(c(C#N)c2=O)CCC3)CC1 ZINC000766612664 871279134 /nfs/dbraw/zinc/27/91/34/871279134.db2.gz PYHDVZUROWZHEB-UHFFFAOYSA-N 1 2 386.499 3.836 20 30 GHEDLO COc1ccc(OC2CC[NH+](Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)cc1 ZINC000525782742 871428534 /nfs/dbraw/zinc/42/85/34/871428534.db2.gz DPDGKSGYWXYCJU-UHFFFAOYSA-N 1 2 390.443 3.660 20 30 GHEDLO COc1ccc([C@H]2CCC[N@@H+]2Cc2nnc(-c3cccc(C#N)c3)o2)c(OC)c1 ZINC000441245391 871481153 /nfs/dbraw/zinc/48/11/53/871481153.db2.gz MPZJYPUMIIBXAX-LJQANCHMSA-N 1 2 390.443 3.963 20 30 GHEDLO COc1ccc([C@H]2CCC[N@H+]2Cc2nnc(-c3cccc(C#N)c3)o2)c(OC)c1 ZINC000441245391 871481160 /nfs/dbraw/zinc/48/11/60/871481160.db2.gz MPZJYPUMIIBXAX-LJQANCHMSA-N 1 2 390.443 3.963 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000463421564 871697641 /nfs/dbraw/zinc/69/76/41/871697641.db2.gz KPMKLIUSJMNKLJ-MRXNPFEDSA-N 1 2 382.529 3.904 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000463421564 871697647 /nfs/dbraw/zinc/69/76/47/871697647.db2.gz KPMKLIUSJMNKLJ-MRXNPFEDSA-N 1 2 382.529 3.904 20 30 GHEDLO C=CCOc1ccccc1CNC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000462165749 871725389 /nfs/dbraw/zinc/72/53/89/871725389.db2.gz CKFKLROOECLFOF-QGZVFWFLSA-N 1 2 385.533 3.901 20 30 GHEDLO C[N@@H+]1CCOC[C@@H]1CNc1ccc(N=C(c2ccccc2)c2ccccc2)nc1 ZINC001169661340 871727581 /nfs/dbraw/zinc/72/75/81/871727581.db2.gz YDRIVMACLAKLID-QFIPXVFZSA-N 1 2 386.499 3.993 20 30 GHEDLO C[N@H+]1CCOC[C@@H]1CNc1ccc(N=C(c2ccccc2)c2ccccc2)nc1 ZINC001169661340 871727586 /nfs/dbraw/zinc/72/75/86/871727586.db2.gz YDRIVMACLAKLID-QFIPXVFZSA-N 1 2 386.499 3.993 20 30 GHEDLO CC1(C)CC(=O)C=C(Nc2c3[nH+]ccn3ccc2I)C1 ZINC001169951453 872049844 /nfs/dbraw/zinc/04/98/44/872049844.db2.gz IUVDAYZCDJPNRK-UHFFFAOYSA-N 1 2 381.217 3.624 20 30 GHEDLO NC(=[NH+]OCCOc1ccccc1F)c1ccc(OCc2cccnc2)cc1 ZINC000101907196 872360624 /nfs/dbraw/zinc/36/06/24/872360624.db2.gz GZBOJLJGGRTFSV-UHFFFAOYSA-N 1 2 381.407 3.516 20 30 GHEDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000767686082 872767213 /nfs/dbraw/zinc/76/72/13/872767213.db2.gz YUSAJPQWYHJBOG-HXUWFJFHSA-N 1 2 377.492 3.986 20 30 GHEDLO CC(C)([NH2+]Cc1csc(CNC(=O)c2ccccc2)n1)c1cccc(C#N)c1 ZINC001196039059 872849014 /nfs/dbraw/zinc/84/90/14/872849014.db2.gz KAWIAOFUZBERDY-UHFFFAOYSA-N 1 2 390.512 3.970 20 30 GHEDLO C[C@@H](NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1cccc(C#N)c1 ZINC000619695950 872884811 /nfs/dbraw/zinc/88/48/11/872884811.db2.gz ZBJUXPOHRHSHIL-APWZRJJASA-N 1 2 377.492 3.741 20 30 GHEDLO Cc1c[nH]c(CCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)[nH+]1 ZINC001196162208 872922086 /nfs/dbraw/zinc/92/20/86/872922086.db2.gz GZDIHMCOVFQIRJ-UHFFFAOYSA-N 1 2 376.485 3.855 20 30 GHEDLO C=CCCc1ccc(S(=O)(=O)N2CC[NH2+][C@@H](c3ccc(CC)cc3)C2)cc1 ZINC001196226478 872965248 /nfs/dbraw/zinc/96/52/48/872965248.db2.gz BETDXKOVFRXBSY-JOCHJYFZSA-N 1 2 384.545 3.703 20 30 GHEDLO N#Cc1ccc(C[NH2+]Cc2cn(-c3ccc(F)cc3Cl)nn2)cc1Cl ZINC000619748633 872984298 /nfs/dbraw/zinc/98/42/98/872984298.db2.gz PGJMQNKMIVCHHZ-UHFFFAOYSA-N 1 2 376.222 3.875 20 30 GHEDLO C=CC[NH+]1CCN(C(=O)c2cccc([C@@H]3CCCN3C(=O)OC(C)(C)C)c2)CC1 ZINC001196699200 873309166 /nfs/dbraw/zinc/30/91/66/873309166.db2.gz UCRSHYFBFDLRSB-FQEVSTJZSA-N 1 2 399.535 3.702 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cc(Cl)c(OCC)c(OC)c2)c1 ZINC000768915516 873682965 /nfs/dbraw/zinc/68/29/65/873682965.db2.gz JUTWEEBJSYOARJ-UHFFFAOYSA-N 1 2 386.879 3.799 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cc(Cl)c(OCC)c(OC)c2)c1 ZINC000768915516 873682972 /nfs/dbraw/zinc/68/29/72/873682972.db2.gz JUTWEEBJSYOARJ-UHFFFAOYSA-N 1 2 386.879 3.799 20 30 GHEDLO CCc1ccc([C@@H](COC)[NH2+]CC(=O)N(CCC#N)c2cccc(C)c2C)o1 ZINC000541628832 873992229 /nfs/dbraw/zinc/99/22/29/873992229.db2.gz PPRVNHBHRVJGRD-LJQANCHMSA-N 1 2 383.492 3.683 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1Cl ZINC000858049880 882788472 /nfs/dbraw/zinc/78/84/72/882788472.db2.gz MLZVSFPIQSODNL-SFHVURJKSA-N 1 2 396.878 3.576 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1Cl ZINC000858049880 882788477 /nfs/dbraw/zinc/78/84/77/882788477.db2.gz MLZVSFPIQSODNL-SFHVURJKSA-N 1 2 396.878 3.576 20 30 GHEDLO CC(=[NH+]Nc1ccnc(Br)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000769811117 874301693 /nfs/dbraw/zinc/30/16/93/874301693.db2.gz XOANXRXAPZPOFG-UHFFFAOYSA-N 1 2 393.260 3.656 20 30 GHEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000769900017 874330246 /nfs/dbraw/zinc/33/02/46/874330246.db2.gz OPRHDKXJPKLXQM-WGEUBKKISA-N 1 2 396.453 3.502 20 30 GHEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000769900017 874330259 /nfs/dbraw/zinc/33/02/59/874330259.db2.gz OPRHDKXJPKLXQM-WGEUBKKISA-N 1 2 396.453 3.502 20 30 GHEDLO Cc1cnccc1C[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000528427711 874548153 /nfs/dbraw/zinc/54/81/53/874548153.db2.gz ABTWVKQIICMAJU-LJQANCHMSA-N 1 2 385.309 3.535 20 30 GHEDLO Cc1c(Cl)cnc(NCCSCc2csc(C[NH+](C)C)n2)c1C#N ZINC001168107520 874581578 /nfs/dbraw/zinc/58/15/78/874581578.db2.gz QBSACVHIYMGWIN-UHFFFAOYSA-N 1 2 381.958 3.779 20 30 GHEDLO N#Cc1ccc(N2CC[C@H]([NH+]3CCC(=Cc4ccccc4F)CC3)C2=O)cc1 ZINC000464877020 874700448 /nfs/dbraw/zinc/70/04/48/874700448.db2.gz PNKNCRHSXXNEMM-QFIPXVFZSA-N 1 2 375.447 3.982 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)c(C(F)(F)F)c1 ZINC000449426510 874843304 /nfs/dbraw/zinc/84/33/04/874843304.db2.gz VBULIIYINWEOCY-RTBURBONSA-N 1 2 378.369 3.877 20 30 GHEDLO N#Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)c(C(F)(F)F)c1 ZINC000449426510 874843321 /nfs/dbraw/zinc/84/33/21/874843321.db2.gz VBULIIYINWEOCY-RTBURBONSA-N 1 2 378.369 3.877 20 30 GHEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000771935367 875558818 /nfs/dbraw/zinc/55/88/18/875558818.db2.gz PORZKUWWIGBEBU-SFHVURJKSA-N 1 2 386.293 3.537 20 30 GHEDLO CCO[C@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)C1 ZINC000610002122 877275162 /nfs/dbraw/zinc/27/51/62/877275162.db2.gz DTTPXUIBIKUSFW-IBGZPJMESA-N 1 2 398.482 3.544 20 30 GHEDLO CCO[C@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)C1 ZINC000610002122 877275177 /nfs/dbraw/zinc/27/51/77/877275177.db2.gz DTTPXUIBIKUSFW-IBGZPJMESA-N 1 2 398.482 3.544 20 30 GHEDLO OC[C@]1(F)C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1c1ccccc1 ZINC000451253343 877668115 /nfs/dbraw/zinc/66/81/15/877668115.db2.gz AHOXRYYFYBCFNE-VQTJNVASSA-N 1 2 377.381 3.857 20 30 GHEDLO OC[C@]1(F)C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1c1ccccc1 ZINC000451253343 877668121 /nfs/dbraw/zinc/66/81/21/877668121.db2.gz AHOXRYYFYBCFNE-VQTJNVASSA-N 1 2 377.381 3.857 20 30 GHEDLO OC[C@]1(F)C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H]1c1ccccc1 ZINC000451277931 877701125 /nfs/dbraw/zinc/70/11/25/877701125.db2.gz BRHMGFBNYMIUPW-VQTJNVASSA-N 1 2 393.380 3.737 20 30 GHEDLO OC[C@]1(F)C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H]1c1ccccc1 ZINC000451277931 877701134 /nfs/dbraw/zinc/70/11/34/877701134.db2.gz BRHMGFBNYMIUPW-VQTJNVASSA-N 1 2 393.380 3.737 20 30 GHEDLO C#CCOc1ccc(C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)cc1 ZINC000788244168 877945084 /nfs/dbraw/zinc/94/50/84/877945084.db2.gz ADOGCBIPDZZAFO-SFHVURJKSA-N 1 2 377.488 3.757 20 30 GHEDLO C#CCOc1ccc(C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)cc1 ZINC000788244168 877945098 /nfs/dbraw/zinc/94/50/98/877945098.db2.gz ADOGCBIPDZZAFO-SFHVURJKSA-N 1 2 377.488 3.757 20 30 GHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550409 878130014 /nfs/dbraw/zinc/13/00/14/878130014.db2.gz ROGBCBSIUSKIGJ-UYAOXDASSA-N 1 2 379.416 3.560 20 30 GHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550409 878130021 /nfs/dbraw/zinc/13/00/21/878130021.db2.gz ROGBCBSIUSKIGJ-UYAOXDASSA-N 1 2 379.416 3.560 20 30 GHEDLO CC[N@@H+]1CC[C@@H](NC(=O)N2CCC(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245609456 878199030 /nfs/dbraw/zinc/19/90/30/878199030.db2.gz SGWXJXPVZOOHSG-QZTJIDSGSA-N 1 2 378.879 3.560 20 30 GHEDLO CC[N@H+]1CC[C@@H](NC(=O)N2CCC(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245609456 878199037 /nfs/dbraw/zinc/19/90/37/878199037.db2.gz SGWXJXPVZOOHSG-QZTJIDSGSA-N 1 2 378.879 3.560 20 30 GHEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)C1 ZINC000852319410 878235257 /nfs/dbraw/zinc/23/52/57/878235257.db2.gz LYEBAJBFJOOETC-QGZVFWFLSA-N 1 2 376.460 3.503 20 30 GHEDLO N#CC[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)C1 ZINC000852319410 878235268 /nfs/dbraw/zinc/23/52/68/878235268.db2.gz LYEBAJBFJOOETC-QGZVFWFLSA-N 1 2 376.460 3.503 20 30 GHEDLO C#CCCCOc1ccc[nH+]c1NC1CCN(C(=O)c2ccccc2F)CC1 ZINC000853163947 878858756 /nfs/dbraw/zinc/85/87/56/878858756.db2.gz XNGJCUHRTZXFAX-UHFFFAOYSA-N 1 2 381.451 3.730 20 30 GHEDLO CSc1ccc([C@@H](CNC(=O)[C@H](C)C#N)[N@@H+]2CCc3sccc3C2)cc1 ZINC000531050807 879017798 /nfs/dbraw/zinc/01/77/98/879017798.db2.gz YHEIYTBYFCQFMX-RDTXWAMCSA-N 1 2 385.558 3.845 20 30 GHEDLO CSc1ccc([C@@H](CNC(=O)[C@H](C)C#N)[N@H+]2CCc3sccc3C2)cc1 ZINC000531050807 879017817 /nfs/dbraw/zinc/01/78/17/879017817.db2.gz YHEIYTBYFCQFMX-RDTXWAMCSA-N 1 2 385.558 3.845 20 30 GHEDLO N#Cc1cccc(NC(=O)C2CC[NH+](Cn3ncc(Cl)c3C3CC3)CC2)c1 ZINC000853499733 879064920 /nfs/dbraw/zinc/06/49/20/879064920.db2.gz UDEUYDUAIYIFSK-UHFFFAOYSA-N 1 2 383.883 3.594 20 30 GHEDLO COCCN(C)c1ccc(C=[NH+]Nc2ccc(Br)c(F)c2)cn1 ZINC000790175131 879506550 /nfs/dbraw/zinc/50/65/50/879506550.db2.gz DFZGBICGNPMFBB-UHFFFAOYSA-N 1 2 381.249 3.512 20 30 GHEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)C#Cc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000790683188 879907680 /nfs/dbraw/zinc/90/76/80/879907680.db2.gz NPXYOYPMCCEDBV-LJQANCHMSA-N 1 2 397.400 3.891 20 30 GHEDLO COc1ccc2c(c1)C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@H](c1ccccc1)C2 ZINC000247653591 880038523 /nfs/dbraw/zinc/03/85/23/880038523.db2.gz PLDQJBAMICSVLL-LADGPHEKSA-N 1 2 389.499 3.603 20 30 GHEDLO COc1ccc2c(c1)C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@H](c1ccccc1)C2 ZINC000247653591 880038538 /nfs/dbraw/zinc/03/85/38/880038538.db2.gz PLDQJBAMICSVLL-LADGPHEKSA-N 1 2 389.499 3.603 20 30 GHEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)Cc2ccccc2CC#N)C[C@H](C)O1 ZINC000776830695 880730553 /nfs/dbraw/zinc/73/05/53/880730553.db2.gz UCKVXSRHPGKRIK-ROUUACIJSA-N 1 2 377.488 3.543 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)Cc2c(F)cccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000556942553 881158549 /nfs/dbraw/zinc/15/85/49/881158549.db2.gz CIYHBEGHXIZQLQ-AZUAARDMSA-N 1 2 389.833 3.594 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)Cc2c(F)cccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000556942553 881158561 /nfs/dbraw/zinc/15/85/61/881158561.db2.gz CIYHBEGHXIZQLQ-AZUAARDMSA-N 1 2 389.833 3.594 20 30 GHEDLO CC(C)(C#N)c1ccc(NC(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000193054707 883233425 /nfs/dbraw/zinc/23/34/25/883233425.db2.gz NCJWSZNCNJCAKR-UHFFFAOYSA-N 1 2 392.503 3.642 20 30 GHEDLO C=CCn1c2ccccc2n(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c1=S ZINC000175252959 883527737 /nfs/dbraw/zinc/52/77/37/883527737.db2.gz DSIKKAMSJSIEDI-GOSISDBHSA-N 1 2 387.549 3.976 20 30 GHEDLO C=CCn1c2ccccc2n(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c1=S ZINC000175252944 883527988 /nfs/dbraw/zinc/52/79/88/883527988.db2.gz DSIKKAMSJSIEDI-SFHVURJKSA-N 1 2 387.549 3.976 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)c(C#N)c1C ZINC000533928348 883782356 /nfs/dbraw/zinc/78/23/56/883782356.db2.gz TVRVAUJNICZVHM-DYVFJYSZSA-N 1 2 387.867 3.902 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)c(C#N)c1C ZINC000533928348 883782370 /nfs/dbraw/zinc/78/23/70/883782370.db2.gz TVRVAUJNICZVHM-DYVFJYSZSA-N 1 2 387.867 3.902 20 30 GHEDLO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000805773201 884053048 /nfs/dbraw/zinc/05/30/48/884053048.db2.gz OKFKBWZMIYDHJN-MRXNPFEDSA-N 1 2 381.423 3.650 20 30 GHEDLO CCCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000805773201 884053066 /nfs/dbraw/zinc/05/30/66/884053066.db2.gz OKFKBWZMIYDHJN-MRXNPFEDSA-N 1 2 381.423 3.650 20 30 GHEDLO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000805760199 884088257 /nfs/dbraw/zinc/08/82/57/884088257.db2.gz ALIXKIOSBFJHAY-INIZCTEOSA-N 1 2 381.423 3.602 20 30 GHEDLO CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000805760199 884088263 /nfs/dbraw/zinc/08/82/63/884088263.db2.gz ALIXKIOSBFJHAY-INIZCTEOSA-N 1 2 381.423 3.602 20 30 GHEDLO Cc1nc(C[NH+]2CCC(C(=O)OC[C@@H](C#N)Cc3ccccc3)CC2)cs1 ZINC000805893320 884178732 /nfs/dbraw/zinc/17/87/32/884178732.db2.gz OMHVFYFRVQZVBG-GOSISDBHSA-N 1 2 383.517 3.589 20 30 GHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000476207369 884249026 /nfs/dbraw/zinc/24/90/26/884249026.db2.gz SKZHJNOLDDFWJF-OXJNMPFZSA-N 1 2 394.425 3.921 20 30 GHEDLO C#CC[C@@H](Cc1ccccc1)OC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000805997655 884285159 /nfs/dbraw/zinc/28/51/59/884285159.db2.gz CAIVZZYBZDQBJV-NRFANRHFSA-N 1 2 382.529 3.841 20 30 GHEDLO O=S(=O)(c1ccc(NN=Cc2ccc(-n3cc[nH+]c3)cc2)cc1)C(F)(F)F ZINC000914700075 884548724 /nfs/dbraw/zinc/54/87/24/884548724.db2.gz QMSNNPJTRKAAAO-UHFFFAOYSA-N 1 2 394.378 3.612 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1Cc1ccccn1 ZINC001183832397 912837789 /nfs/dbraw/zinc/83/77/89/912837789.db2.gz UZGUNLYIZVEFQW-PKTZIBPZSA-N 1 2 388.515 3.541 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1Cc1ccccn1 ZINC001183832397 912837807 /nfs/dbraw/zinc/83/78/07/912837807.db2.gz UZGUNLYIZVEFQW-PKTZIBPZSA-N 1 2 388.515 3.541 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000860494570 884738495 /nfs/dbraw/zinc/73/84/95/884738495.db2.gz LUBFTRCOUPAIQJ-PMACEKPBSA-N 1 2 383.442 3.676 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)C(C)(C)c2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000860494570 884738498 /nfs/dbraw/zinc/73/84/98/884738498.db2.gz LUBFTRCOUPAIQJ-PMACEKPBSA-N 1 2 383.442 3.676 20 30 GHEDLO CCc1cccc(C)c1NC(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104713833 885577976 /nfs/dbraw/zinc/57/79/76/885577976.db2.gz CBWXPGIKDDPJPQ-UHFFFAOYSA-N 1 2 377.488 3.911 20 30 GHEDLO N#Cc1ccc(CS(=O)(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc1 ZINC000808312603 886217540 /nfs/dbraw/zinc/21/75/40/886217540.db2.gz GUMRMHWVPLROJA-UHFFFAOYSA-N 1 2 393.468 3.667 20 30 GHEDLO C=CCN(Cc1ccccc1F)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000056872895 886343050 /nfs/dbraw/zinc/34/30/50/886343050.db2.gz KTNFYNOZRRUJBJ-UHFFFAOYSA-N 1 2 378.451 3.968 20 30 GHEDLO C=CCOc1c(Cl)cc(C[NH+]2CCN(c3ccc(C#N)nc3)CC2)cc1OC ZINC000862422487 886364431 /nfs/dbraw/zinc/36/44/31/886364431.db2.gz AMZBPLQGSGBMQG-UHFFFAOYSA-N 1 2 398.894 3.502 20 30 GHEDLO COc1ccc([C@H]2CCC[N@@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)c(OC)c1 ZINC000173459349 886373387 /nfs/dbraw/zinc/37/33/87/886373387.db2.gz KMYZULACAHOTFY-LJQANCHMSA-N 1 2 390.443 3.963 20 30 GHEDLO COc1ccc([C@H]2CCC[N@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)c(OC)c1 ZINC000173459349 886373404 /nfs/dbraw/zinc/37/34/04/886373404.db2.gz KMYZULACAHOTFY-LJQANCHMSA-N 1 2 390.443 3.963 20 30 GHEDLO CC(C)(CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[NH+]1CCOCC1 ZINC000915351457 886389240 /nfs/dbraw/zinc/38/92/40/886389240.db2.gz CHMFBUJVHIKOIM-OAQYLSRUSA-N 1 2 392.503 3.574 20 30 GHEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3ccc(CC#N)cc3)CC2)c1 ZINC000171364655 886539076 /nfs/dbraw/zinc/53/90/76/886539076.db2.gz AQRXLPNPWGUXLQ-QGZVFWFLSA-N 1 2 378.476 3.672 20 30 GHEDLO N#Cc1ccc(N(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C2CCC2)cc1 ZINC001131578490 887123965 /nfs/dbraw/zinc/12/39/65/887123965.db2.gz ADPGNLXWKXPJAW-UHFFFAOYSA-N 1 2 387.399 3.851 20 30 GHEDLO N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000131318383 887534798 /nfs/dbraw/zinc/53/47/98/887534798.db2.gz NBTUAMJNHDHFND-GOSISDBHSA-N 1 2 386.455 3.729 20 30 GHEDLO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)C1 ZINC000810536084 888564418 /nfs/dbraw/zinc/56/44/18/888564418.db2.gz IYZWBMKRAYZBCP-BLVKFPJESA-N 1 2 378.398 3.820 20 30 GHEDLO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)[C@@H](C#N)c2nc3ccccc3n2C(F)F)C1 ZINC000810536084 888564425 /nfs/dbraw/zinc/56/44/25/888564425.db2.gz IYZWBMKRAYZBCP-BLVKFPJESA-N 1 2 378.398 3.820 20 30 GHEDLO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)C1 ZINC000810536084 888564431 /nfs/dbraw/zinc/56/44/31/888564431.db2.gz IYZWBMKRAYZBCP-BLVKFPJESA-N 1 2 378.398 3.820 20 30 GHEDLO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)C1 ZINC000810536084 888564438 /nfs/dbraw/zinc/56/44/38/888564438.db2.gz IYZWBMKRAYZBCP-BLVKFPJESA-N 1 2 378.398 3.820 20 30 GHEDLO CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000810532914 888607130 /nfs/dbraw/zinc/60/71/30/888607130.db2.gz WKVJRFNPNLYVDI-XMSQKQJNSA-N 1 2 387.499 3.889 20 30 GHEDLO CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)cc1 ZINC000810532914 888607134 /nfs/dbraw/zinc/60/71/34/888607134.db2.gz WKVJRFNPNLYVDI-XMSQKQJNSA-N 1 2 387.499 3.889 20 30 GHEDLO N#Cc1ncc(C(F)(F)F)cc1NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000866086845 888726593 /nfs/dbraw/zinc/72/65/93/888726593.db2.gz LTPKXOFKVMBKPW-UHFFFAOYSA-N 1 2 379.411 3.532 20 30 GHEDLO Cc1cn2c([nH+]1)[C@H](CNc1c(C#N)cnc3ccc(OC(F)F)cc31)CCC2 ZINC000532781272 888928825 /nfs/dbraw/zinc/92/88/25/888928825.db2.gz LODWDKXKLGPCOU-ZDUSSCGKSA-N 1 2 383.402 3.624 20 30 GHEDLO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000063250365 889540939 /nfs/dbraw/zinc/54/09/39/889540939.db2.gz LYRKYGPGLUQZRY-UHFFFAOYSA-N 1 2 376.416 3.668 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000454727682 889630169 /nfs/dbraw/zinc/63/01/69/889630169.db2.gz KZNYFJXVGZVZFG-CSBKYJRVSA-N 1 2 378.879 3.606 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000454727682 889630176 /nfs/dbraw/zinc/63/01/76/889630176.db2.gz KZNYFJXVGZVZFG-CSBKYJRVSA-N 1 2 378.879 3.606 20 30 GHEDLO C[C@H](O[NH+]=C(N)Cc1cccnc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000122413552 889759066 /nfs/dbraw/zinc/75/90/66/889759066.db2.gz FFFSNJFYSTYGMF-NSHDSACASA-N 1 2 391.353 3.743 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cccc(-c4ncco4)c3)CC2)cc1 ZINC000533130994 889830122 /nfs/dbraw/zinc/83/01/22/889830122.db2.gz HMQOUOILSGCYJD-UHFFFAOYSA-N 1 2 387.443 3.563 20 30 GHEDLO C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1cccc(C#N)c1 ZINC000026323950 890334185 /nfs/dbraw/zinc/33/41/85/890334185.db2.gz XAVAEYDRVYQLFS-UHFFFAOYSA-N 1 2 378.501 3.831 20 30 GHEDLO C[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1cccc(C#N)c1 ZINC000026323950 890334193 /nfs/dbraw/zinc/33/41/93/890334193.db2.gz XAVAEYDRVYQLFS-UHFFFAOYSA-N 1 2 378.501 3.831 20 30 GHEDLO CC(=[NH+]NC(=S)Nc1cccc(C)c1C)c1cccc(N2CCOCC2)c1 ZINC000812383120 890592638 /nfs/dbraw/zinc/59/26/38/890592638.db2.gz ZKDBAHILRDUXKD-UHFFFAOYSA-N 1 2 382.533 3.851 20 30 GHEDLO CC(=[NH+]NC(=S)Nc1ccc(C)cc1C)c1cccc(N2CCOCC2)c1 ZINC000812382627 890593904 /nfs/dbraw/zinc/59/39/04/890593904.db2.gz PSXQYKQDSIKMDD-UHFFFAOYSA-N 1 2 382.533 3.851 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@H]1CCCc2c1cnn2C ZINC000246212327 890742459 /nfs/dbraw/zinc/74/24/59/890742459.db2.gz CKFDYCXWHAJNJG-YJBOKZPZSA-N 1 2 397.548 3.762 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@H]1CCCc2c1cnn2C ZINC000246212327 890742467 /nfs/dbraw/zinc/74/24/67/890742467.db2.gz CKFDYCXWHAJNJG-YJBOKZPZSA-N 1 2 397.548 3.762 20 30 GHEDLO N#Cc1cccc(C2(NC(=O)Nc3ccccc3OCCn3cc[nH+]c3)CC2)c1 ZINC000497333720 890985908 /nfs/dbraw/zinc/98/59/08/890985908.db2.gz ODJQFIUGMVSAGV-UHFFFAOYSA-N 1 2 387.443 3.645 20 30 GHEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000067646136 891390736 /nfs/dbraw/zinc/39/07/36/891390736.db2.gz GDPCBJCTFRMLHU-UHFFFAOYSA-N 1 2 394.450 3.918 20 30 GHEDLO CO[C@@]1(C(F)(F)F)CCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000614925049 891604082 /nfs/dbraw/zinc/60/40/82/891604082.db2.gz TUOTXQQGHQDIBP-AWEZNQCLSA-N 1 2 377.204 3.864 20 30 GHEDLO CO[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000614925049 891604086 /nfs/dbraw/zinc/60/40/86/891604086.db2.gz TUOTXQQGHQDIBP-AWEZNQCLSA-N 1 2 377.204 3.864 20 30 GHEDLO N#C[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1cccc(Br)c1 ZINC000127708325 891700604 /nfs/dbraw/zinc/70/06/04/891700604.db2.gz JMAPSIXYPWRXGO-GOSISDBHSA-N 1 2 395.260 3.689 20 30 GHEDLO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)ccc1OC ZINC000813859032 892030418 /nfs/dbraw/zinc/03/04/18/892030418.db2.gz FIEVFGZARZQEFM-YLJYHZDGSA-N 1 2 383.496 3.905 20 30 GHEDLO C#CC[N@H+]1CCC[C@H]1COC(=O)c1ccccc1C(=O)c1ccc(C)c(C)c1 ZINC000729809202 892221765 /nfs/dbraw/zinc/22/17/65/892221765.db2.gz JGUNQHYFNIIBFR-FQEVSTJZSA-N 1 2 375.468 3.789 20 30 GHEDLO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1ccccc1C(=O)c1ccc(C)c(C)c1 ZINC000729809202 892221781 /nfs/dbraw/zinc/22/17/81/892221781.db2.gz JGUNQHYFNIIBFR-FQEVSTJZSA-N 1 2 375.468 3.789 20 30 GHEDLO C[C@@H](C#N)Oc1ccc(C[NH+]2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000125856529 893057663 /nfs/dbraw/zinc/05/76/63/893057663.db2.gz PXXGGNNBRGXYLY-INIZCTEOSA-N 1 2 383.879 3.589 20 30 GHEDLO C=CCn1cc2ccc(NC(=O)N3CC[NH+]([C@@H](C)c4cccnc4)CC3)cc2n1 ZINC000933687806 893133653 /nfs/dbraw/zinc/13/36/53/893133653.db2.gz ZERRZVMFJXZUJV-KRWDZBQOSA-N 1 2 390.491 3.528 20 30 GHEDLO CCOC(=O)C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC000533846529 893231124 /nfs/dbraw/zinc/23/11/24/893231124.db2.gz OSQIBFQMZYMONB-KRWDZBQOSA-N 1 2 379.460 3.513 20 30 GHEDLO CCOC(=O)C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC000533846529 893231138 /nfs/dbraw/zinc/23/11/38/893231138.db2.gz OSQIBFQMZYMONB-KRWDZBQOSA-N 1 2 379.460 3.513 20 30 GHEDLO Cc1cccn2cc(Cc3noc([C@H]4CCCN4c4ccc(C#N)cc4)n3)[nH+]c12 ZINC000615132110 893245189 /nfs/dbraw/zinc/24/51/89/893245189.db2.gz ZHOLYVPMTFQZQL-LJQANCHMSA-N 1 2 384.443 3.830 20 30 GHEDLO C=CCOc1ccc(/C=C/C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1OC ZINC000126447924 893555737 /nfs/dbraw/zinc/55/57/37/893555737.db2.gz JNRGAXNEHNXCPH-GFDCVALUSA-N 1 2 381.476 3.579 20 30 GHEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000459454502 893556757 /nfs/dbraw/zinc/55/67/57/893556757.db2.gz NGQCIRHXTOSWGC-QGZVFWFLSA-N 1 2 387.237 3.865 20 30 GHEDLO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3cc(C#N)ccc3N(C)C)n2)c1 ZINC000877469990 893627507 /nfs/dbraw/zinc/62/75/07/893627507.db2.gz CGOSUYVPBVGSFU-CQSZACIVSA-N 1 2 377.448 3.534 20 30 GHEDLO C[N@@H+](Cc1cc(C#N)cnc1Cl)C[C@H](O)c1cccc(Br)c1 ZINC000877587754 893705251 /nfs/dbraw/zinc/70/52/51/893705251.db2.gz HTVFEZUVBLZIIH-HNNXBMFYSA-N 1 2 380.673 3.535 20 30 GHEDLO C[N@H+](Cc1cc(C#N)cnc1Cl)C[C@H](O)c1cccc(Br)c1 ZINC000877587754 893705260 /nfs/dbraw/zinc/70/52/60/893705260.db2.gz HTVFEZUVBLZIIH-HNNXBMFYSA-N 1 2 380.673 3.535 20 30 GHEDLO N#Cc1cccc(-c2nnc(C[NH2+][C@H](c3ccccc3)C3(CO)CCCC3)o2)c1 ZINC000459535836 893754157 /nfs/dbraw/zinc/75/41/57/893754157.db2.gz SEUJUTWYRGSGDH-OAQYLSRUSA-N 1 2 388.471 3.992 20 30 GHEDLO N#Cc1cc(F)ccc1N1CC[NH+](Cc2cnc(-c3ccncc3)s2)CC1 ZINC000877746932 893787659 /nfs/dbraw/zinc/78/76/59/893787659.db2.gz NSPVYUVMHLRHPY-UHFFFAOYSA-N 1 2 379.464 3.538 20 30 GHEDLO C=CCOc1c(Br)cc(C[NH+]2CC(C)(CCOC)C2)cc1OC ZINC000459632884 893934606 /nfs/dbraw/zinc/93/46/06/893934606.db2.gz OEOAFORJSALUGR-UHFFFAOYSA-N 1 2 384.314 3.881 20 30 GHEDLO C[C@H]([NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)c1c(F)cccc1F ZINC000774867052 913835212 /nfs/dbraw/zinc/83/52/12/913835212.db2.gz QXULTRDUQZXKIX-GXTWGEPZSA-N 1 2 378.382 3.853 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3coc4cc(Cl)ccc34)CC2)cc1 ZINC001135336221 894407618 /nfs/dbraw/zinc/40/76/18/894407618.db2.gz SUGDNHLNXIQPTE-UHFFFAOYSA-N 1 2 393.874 3.845 20 30 GHEDLO Cc1c(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccn1Cc1ccccc1 ZINC001135509357 894737757 /nfs/dbraw/zinc/73/77/57/894737757.db2.gz QDMBUIHYJAGSMQ-UHFFFAOYSA-N 1 2 398.510 3.675 20 30 GHEDLO COC(=O)c1scc(C)c1NC(=O)[C@H](C)[N@H+](Cc1ccc(C#N)o1)C(C)C ZINC000880215931 895576121 /nfs/dbraw/zinc/57/61/21/895576121.db2.gz KNOQXMOHSYCZAL-ZDUSSCGKSA-N 1 2 389.477 3.545 20 30 GHEDLO COC(=O)c1scc(C)c1NC(=O)[C@H](C)[N@@H+](Cc1ccc(C#N)o1)C(C)C ZINC000880215931 895576128 /nfs/dbraw/zinc/57/61/28/895576128.db2.gz KNOQXMOHSYCZAL-ZDUSSCGKSA-N 1 2 389.477 3.545 20 30 GHEDLO COC(=O)C1(C#N)CC[NH+](Cc2cnn(C3CCCC3)c2-c2ccccc2)CC1 ZINC000817409291 895586680 /nfs/dbraw/zinc/58/66/80/895586680.db2.gz HVBWQEIRXDIPTG-UHFFFAOYSA-N 1 2 392.503 3.944 20 30 GHEDLO C[N@H+](CCC#N)C[C@@H](O)CNc1ccc(Oc2ccc(F)cc2)c2ccncc12 ZINC000565712416 895829255 /nfs/dbraw/zinc/82/92/55/895829255.db2.gz WJRWROCKSHAEBZ-KRWDZBQOSA-N 1 2 394.450 3.784 20 30 GHEDLO C[N@@H+](CCC#N)C[C@@H](O)CNc1ccc(Oc2ccc(F)cc2)c2ccncc12 ZINC000565712416 895829260 /nfs/dbraw/zinc/82/92/60/895829260.db2.gz WJRWROCKSHAEBZ-KRWDZBQOSA-N 1 2 394.450 3.784 20 30 GHEDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C ZINC000819520042 896806926 /nfs/dbraw/zinc/80/69/26/896806926.db2.gz SRHPKKHQNPHQBT-MRXNPFEDSA-N 1 2 397.479 3.911 20 30 GHEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000567737940 897369715 /nfs/dbraw/zinc/36/97/15/897369715.db2.gz JZRIWIJMNFOTGV-OXJNMPFZSA-N 1 2 380.492 3.989 20 30 GHEDLO C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(Br)c(F)cc1F)CC2 ZINC001275477271 914156940 /nfs/dbraw/zinc/15/69/40/914156940.db2.gz HWZWTPWYAAXFMW-CYBMUJFWSA-N 1 2 399.279 3.632 20 30 GHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000568917439 898210029 /nfs/dbraw/zinc/21/00/29/898210029.db2.gz QTMSZUSYFQSSQU-INIZCTEOSA-N 1 2 382.895 3.751 20 30 GHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000568917439 898210042 /nfs/dbraw/zinc/21/00/42/898210042.db2.gz QTMSZUSYFQSSQU-INIZCTEOSA-N 1 2 382.895 3.751 20 30 GHEDLO CC(=O)c1cccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000043238947 898358592 /nfs/dbraw/zinc/35/85/92/898358592.db2.gz VGYLOKAFTSFNNU-UHFFFAOYSA-N 1 2 376.460 3.501 20 30 GHEDLO CC(=O)c1cccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000043238947 898358608 /nfs/dbraw/zinc/35/86/08/898358608.db2.gz VGYLOKAFTSFNNU-UHFFFAOYSA-N 1 2 376.460 3.501 20 30 GHEDLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C#N)cc1 ZINC000155833011 899123298 /nfs/dbraw/zinc/12/32/98/899123298.db2.gz KIVNUVOFKMDGLP-VGOFRKELSA-N 1 2 376.504 3.634 20 30 GHEDLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C#N)cc1 ZINC000155833011 899123304 /nfs/dbraw/zinc/12/33/04/899123304.db2.gz KIVNUVOFKMDGLP-VGOFRKELSA-N 1 2 376.504 3.634 20 30 GHEDLO C[C@@H](c1nnc(-c2ccccc2F)s1)[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844370792 900736473 /nfs/dbraw/zinc/73/64/73/900736473.db2.gz JLGDQSFPSRTWMF-UGSOOPFHSA-N 1 2 382.464 3.942 20 30 GHEDLO C[C@@H](c1nnc(-c2ccccc2F)s1)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844370792 900736484 /nfs/dbraw/zinc/73/64/84/900736484.db2.gz JLGDQSFPSRTWMF-UGSOOPFHSA-N 1 2 382.464 3.942 20 30 GHEDLO COCCN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000844357691 900764460 /nfs/dbraw/zinc/76/44/60/900764460.db2.gz ZGOJYDREKMTXKB-UHFFFAOYSA-N 1 2 391.487 3.545 20 30 GHEDLO N#Cc1c(NC(=O)C[N@H+]2CCC[C@@]3(CC3(F)F)C2)sc2c1CCCCC2 ZINC000844436763 900856631 /nfs/dbraw/zinc/85/66/31/900856631.db2.gz IMTDCOIHVZCDFN-GOSISDBHSA-N 1 2 379.476 3.948 20 30 GHEDLO N#Cc1c(NC(=O)C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)sc2c1CCCCC2 ZINC000844436763 900856635 /nfs/dbraw/zinc/85/66/35/900856635.db2.gz IMTDCOIHVZCDFN-GOSISDBHSA-N 1 2 379.476 3.948 20 30 GHEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)CN1CC(c2ccc(Cl)cc2)=CC1=O ZINC000844688275 901180987 /nfs/dbraw/zinc/18/09/87/901180987.db2.gz NTADSKDOZCBYIW-UHFFFAOYSA-N 1 2 395.890 3.543 20 30 GHEDLO COCC[N@H+](Cc1ccc(C#N)cc1)CN1CC(c2ccc(Cl)cc2)=CC1=O ZINC000844688275 901180992 /nfs/dbraw/zinc/18/09/92/901180992.db2.gz NTADSKDOZCBYIW-UHFFFAOYSA-N 1 2 395.890 3.543 20 30 GHEDLO C[C@H]1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)C[C@@H]1n1cc[nH+]c1 ZINC000123083093 901896226 /nfs/dbraw/zinc/89/62/26/901896226.db2.gz ASAKOOGQYRWDNZ-LPHOPBHVSA-N 1 2 390.443 3.650 20 30 GHEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1ccc(O)cc1C(F)(F)F)CCO2 ZINC001144386622 901975203 /nfs/dbraw/zinc/97/52/03/901975203.db2.gz ADXMUUQSGXHHRS-QFBILLFUSA-N 1 2 385.426 3.985 20 30 GHEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1ccc(O)cc1C(F)(F)F)CCO2 ZINC001144386622 901975215 /nfs/dbraw/zinc/97/52/15/901975215.db2.gz ADXMUUQSGXHHRS-QFBILLFUSA-N 1 2 385.426 3.985 20 30 GHEDLO CC1(C)C[N@H+](CC(=O)Nc2ccccc2SCC#N)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000333326660 902009928 /nfs/dbraw/zinc/00/99/28/902009928.db2.gz QQGBVAYIJWXFPR-JLHGSKIFSA-N 1 2 399.560 3.910 20 30 GHEDLO CC1(C)C[N@@H+](CC(=O)Nc2ccccc2SCC#N)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000333326660 902009940 /nfs/dbraw/zinc/00/99/40/902009940.db2.gz QQGBVAYIJWXFPR-JLHGSKIFSA-N 1 2 399.560 3.910 20 30 GHEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cccc(Oc2ccnc3ccccc32)c1 ZINC000576698103 902200443 /nfs/dbraw/zinc/20/04/43/902200443.db2.gz SMWBUFSXYBVYOC-GOSISDBHSA-N 1 2 376.460 3.645 20 30 GHEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cccc(Oc2ccnc3ccccc32)c1 ZINC000576698103 902200460 /nfs/dbraw/zinc/20/04/60/902200460.db2.gz SMWBUFSXYBVYOC-GOSISDBHSA-N 1 2 376.460 3.645 20 30 GHEDLO CCCCn1c(SC[C@H](O)c2ccc(C#N)cc2)nnc1[C@H](CC)[NH+](C)C ZINC000126717775 902357171 /nfs/dbraw/zinc/35/71/71/902357171.db2.gz WDZJWLARLUBCEP-ROUUACIJSA-N 1 2 387.553 3.788 20 30 GHEDLO C=CCn1c(-c2cccc(OC)c2)nn(C[N@H+](C)C[C@@H]2CCCOC2)c1=S ZINC000159027158 902464194 /nfs/dbraw/zinc/46/41/94/902464194.db2.gz DRWVAZKTMRMCEW-INIZCTEOSA-N 1 2 388.537 3.592 20 30 GHEDLO C=CCn1c(-c2cccc(OC)c2)nn(C[N@@H+](C)C[C@@H]2CCCOC2)c1=S ZINC000159027158 902464198 /nfs/dbraw/zinc/46/41/98/902464198.db2.gz DRWVAZKTMRMCEW-INIZCTEOSA-N 1 2 388.537 3.592 20 30 GHEDLO Cc1ccc(O[C@@H]2C[C@@H]3C[N@H+]([C@H](C)Cc4cccc(C#N)c4)CCN3C2)cc1 ZINC001171221540 902854629 /nfs/dbraw/zinc/85/46/29/902854629.db2.gz OSIAYQAEKYNCGA-ZFJSRUIDSA-N 1 2 375.516 3.635 20 30 GHEDLO Cc1ccc(O[C@@H]2C[C@@H]3C[N@@H+]([C@H](C)Cc4cccc(C#N)c4)CCN3C2)cc1 ZINC001171221540 902854638 /nfs/dbraw/zinc/85/46/38/902854638.db2.gz OSIAYQAEKYNCGA-ZFJSRUIDSA-N 1 2 375.516 3.635 20 30 GHEDLO CC(C)C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1ccc(C#N)n1C ZINC001274143011 903445903 /nfs/dbraw/zinc/44/59/03/903445903.db2.gz ATMDLWGZZQAMRK-FQEVSTJZSA-N 1 2 398.938 3.923 20 30 GHEDLO CC(C)C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1ccc(C#N)n1C ZINC001274143011 903445909 /nfs/dbraw/zinc/44/59/09/903445909.db2.gz ATMDLWGZZQAMRK-FQEVSTJZSA-N 1 2 398.938 3.923 20 30 GHEDLO N#Cc1cccc(OCc2cccc(C(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)c2)c1 ZINC000265208364 903719850 /nfs/dbraw/zinc/71/98/50/903719850.db2.gz KPBBCALNDVOXMW-HXUWFJFHSA-N 1 2 386.455 3.880 20 30 GHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1C ZINC000578682968 904047799 /nfs/dbraw/zinc/04/77/99/904047799.db2.gz AUWGCDLAQLJTOZ-RBBKRZOGSA-N 1 2 381.520 3.584 20 30 GHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1C ZINC000578682968 904047807 /nfs/dbraw/zinc/04/78/07/904047807.db2.gz AUWGCDLAQLJTOZ-RBBKRZOGSA-N 1 2 381.520 3.584 20 30 GHEDLO C#CCOc1cccc(NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282757802 904302535 /nfs/dbraw/zinc/30/25/35/904302535.db2.gz OORFUAYBCCQSPM-QGZVFWFLSA-N 1 2 378.476 3.643 20 30 GHEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H](C(=O)c4ccc(F)cc4)C3)o2)cc1 ZINC000173782566 905124973 /nfs/dbraw/zinc/12/49/73/905124973.db2.gz ZETJGXRVUKYKPV-GOSISDBHSA-N 1 2 390.418 3.842 20 30 GHEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](C(=O)c4ccc(F)cc4)C3)o2)cc1 ZINC000173782566 905124979 /nfs/dbraw/zinc/12/49/79/905124979.db2.gz ZETJGXRVUKYKPV-GOSISDBHSA-N 1 2 390.418 3.842 20 30 GHEDLO C=C[C@H]1C[C@@]1([NH2+]C1CCN(c2ccc(Br)cc2)CC1)C(=O)OCC ZINC001171992660 905204491 /nfs/dbraw/zinc/20/44/91/905204491.db2.gz NLASNPBAOQVOCM-LIRRHRJNSA-N 1 2 393.325 3.515 20 30 GHEDLO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCn2c(COc3cccnc3)cnc2[C@H]1C ZINC001172307518 905463495 /nfs/dbraw/zinc/46/34/95/905463495.db2.gz HQRQEIYQLKXHTH-QZTJIDSGSA-N 1 2 387.487 3.737 20 30 GHEDLO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCn2c(COc3cccnc3)cnc2[C@H]1C ZINC001172307518 905463504 /nfs/dbraw/zinc/46/35/04/905463504.db2.gz HQRQEIYQLKXHTH-QZTJIDSGSA-N 1 2 387.487 3.737 20 30 GHEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cccc(F)c1Br ZINC001276007691 921268707 /nfs/dbraw/zinc/26/87/07/921268707.db2.gz ACLDATCXHUALKB-GOSISDBHSA-N 1 2 381.289 3.731 20 30 GHEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(F)c1Br ZINC001276007691 921268710 /nfs/dbraw/zinc/26/87/10/921268710.db2.gz ACLDATCXHUALKB-GOSISDBHSA-N 1 2 381.289 3.731 20 30 GHEDLO CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3ccc(C#N)s3)c[nH+]2)CC1 ZINC001174453833 907059996 /nfs/dbraw/zinc/05/99/96/907059996.db2.gz OZNMTGVNRZOYPX-UHFFFAOYSA-N 1 2 385.493 3.815 20 30 GHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1ccc(Br)s1 ZINC000008164681 921301670 /nfs/dbraw/zinc/30/16/70/921301670.db2.gz HNJYJNFQFPFDNU-NSHDSACASA-N 1 2 378.295 3.841 20 30 GHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1ccc(Br)s1 ZINC000008164681 921301672 /nfs/dbraw/zinc/30/16/72/921301672.db2.gz HNJYJNFQFPFDNU-NSHDSACASA-N 1 2 378.295 3.841 20 30 GHEDLO N#CCc1nn(-c2ccccc2)c(Nc2c[nH+]c(N)cc2C(F)(F)F)c1C#N ZINC001175712808 907696706 /nfs/dbraw/zinc/69/67/06/907696706.db2.gz SJCUYEDIIBRJSG-UHFFFAOYSA-N 1 2 383.337 3.550 20 30 GHEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H]3c3cccc4c3OCCO4)o2)cc1 ZINC000266549309 909214632 /nfs/dbraw/zinc/21/46/32/909214632.db2.gz STNAPBVGRBNLPQ-SFHVURJKSA-N 1 2 388.427 3.717 20 30 GHEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H]3c3cccc4c3OCCO4)o2)cc1 ZINC000266549309 909214647 /nfs/dbraw/zinc/21/46/47/909214647.db2.gz STNAPBVGRBNLPQ-SFHVURJKSA-N 1 2 388.427 3.717 20 30 GHEDLO C=CCOc1cccnc1C(=O)NCCc1cn(Cc2ccc(Cl)cc2)c[nH+]1 ZINC001181360676 910725930 /nfs/dbraw/zinc/72/59/30/910725930.db2.gz UWRQSXUKBKJGFT-UHFFFAOYSA-N 1 2 396.878 3.517 20 30 GHEDLO COc1cc(N2CC[NH+](Cc3cc(Cl)ccc3OCC#N)CC2)ccc1F ZINC000801963502 921694649 /nfs/dbraw/zinc/69/46/49/921694649.db2.gz FUQOOXIDXVLXGE-UHFFFAOYSA-N 1 2 389.858 3.712 20 30 GHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCS[C@H](C)[C@H]2C)c1C#N ZINC000303694645 915060396 /nfs/dbraw/zinc/06/03/96/915060396.db2.gz MYZQGYUUPZFWGI-QZTJIDSGSA-N 1 2 396.560 3.789 20 30 GHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCS[C@H](C)[C@H]2C)c1C#N ZINC000303694645 915060411 /nfs/dbraw/zinc/06/04/11/915060411.db2.gz MYZQGYUUPZFWGI-QZTJIDSGSA-N 1 2 396.560 3.789 20 30 GHEDLO CCOC(=O)CCOc1ccc(C(=O)/C=C/c2c[nH+]c3c(C)cccn23)cc1 ZINC000303798505 915134710 /nfs/dbraw/zinc/13/47/10/915134710.db2.gz AIHVECPNOCJUFM-DHZHZOJOSA-N 1 2 378.428 3.871 20 30 GHEDLO N#CC1(CCC[N@@H+]2CCO[C@@H](c3ccccc3Br)C2)CCOCC1 ZINC000366892574 921801768 /nfs/dbraw/zinc/80/17/68/921801768.db2.gz FHUVCPTTWAROSX-GOSISDBHSA-N 1 2 393.325 3.923 20 30 GHEDLO N#CC1(CCC[N@H+]2CCO[C@@H](c3ccccc3Br)C2)CCOCC1 ZINC000366892574 921801790 /nfs/dbraw/zinc/80/17/90/921801790.db2.gz FHUVCPTTWAROSX-GOSISDBHSA-N 1 2 393.325 3.923 20 30 GHEDLO C=C(C)[C@H](CO)Sc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC000649395618 916139220 /nfs/dbraw/zinc/13/92/20/916139220.db2.gz VXCAXZXBHUMIOM-INIZCTEOSA-N 1 2 378.929 3.546 20 30 GHEDLO C=CCOc1ccc(CC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000296457309 918288980 /nfs/dbraw/zinc/28/89/80/918288980.db2.gz XGTPWBDVMVRAMQ-IBGZPJMESA-N 1 2 379.504 3.733 20 30 GHEDLO Cc1c[nH+]c2n1CCC21CCN(C(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC001192088330 918384187 /nfs/dbraw/zinc/38/41/87/918384187.db2.gz MMKLPTPWLUPZOS-UHFFFAOYSA-N 1 2 388.393 3.660 20 30 GHEDLO CCCCCCC/C=C/C[NH+]1CC2(C1)COCC(=O)N2CCC(F)(F)F ZINC001275840539 918408623 /nfs/dbraw/zinc/40/86/23/918408623.db2.gz OHWGYWVGTXHBRP-CMDGGOBGSA-N 1 2 376.463 3.769 20 30 GHEDLO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000115596984 919457298 /nfs/dbraw/zinc/45/72/98/919457298.db2.gz ROKHFUULCFSZBI-AOMKIAJQSA-N 1 2 398.466 3.688 20 30 GHEDLO COc1cc([C@H](C)[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)ccc1OC1CCCC1 ZINC000115597165 919457501 /nfs/dbraw/zinc/45/75/01/919457501.db2.gz KEIMCRQREYIYTE-NYHFZMIOSA-N 1 2 393.487 3.765 20 30 GHEDLO COc1cc([C@@H](C)[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)ccc1OCCC(C)C ZINC000115597438 919458745 /nfs/dbraw/zinc/45/87/45/919458745.db2.gz GCECZMRWAOCGGV-OPAMFIHVSA-N 1 2 395.503 3.869 20 30 GHEDLO C=CCc1cccc(C(C)C)c1NC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000364524820 919584772 /nfs/dbraw/zinc/58/47/72/919584772.db2.gz CDBPSWOZLMERMJ-UHFFFAOYSA-N 1 2 397.523 3.711 20 30 GHEDLO N#Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccc(Br)cc3)C2)c1 ZINC001202799558 919586872 /nfs/dbraw/zinc/58/68/72/919586872.db2.gz XLBGPENRWZZGJF-SFHVURJKSA-N 1 2 399.292 3.717 20 30 GHEDLO N#Cc1cccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccc(Br)cc3)C2)c1 ZINC001202799558 919586875 /nfs/dbraw/zinc/58/68/75/919586875.db2.gz XLBGPENRWZZGJF-SFHVURJKSA-N 1 2 399.292 3.717 20 30 GHEDLO CC[C@@H](C)N1CC[C@@]2(CCC[N@@H+]2Cc2ccc(C#N)cc2Br)C1=O ZINC001275980318 920695304 /nfs/dbraw/zinc/69/53/04/920695304.db2.gz QZEGDHFIEDATKW-KUHUBIRLSA-N 1 2 390.325 3.686 20 30 GHEDLO CC[C@@H](C)N1CC[C@@]2(CCC[N@H+]2Cc2ccc(C#N)cc2Br)C1=O ZINC001275980318 920695311 /nfs/dbraw/zinc/69/53/11/920695311.db2.gz QZEGDHFIEDATKW-KUHUBIRLSA-N 1 2 390.325 3.686 20 30 GHEDLO CC[C@H](C)N1CC[C@]2(CCC[N@@H+]2Cc2ccc(C#N)cc2Br)C1=O ZINC001275980316 920695378 /nfs/dbraw/zinc/69/53/78/920695378.db2.gz QZEGDHFIEDATKW-IFXJQAMLSA-N 1 2 390.325 3.686 20 30 GHEDLO CC[C@H](C)N1CC[C@]2(CCC[N@H+]2Cc2ccc(C#N)cc2Br)C1=O ZINC001275980316 920695383 /nfs/dbraw/zinc/69/53/83/920695383.db2.gz QZEGDHFIEDATKW-IFXJQAMLSA-N 1 2 390.325 3.686 20 30 GHEDLO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367067615 921903317 /nfs/dbraw/zinc/90/33/17/921903317.db2.gz SJVKNCWHXRUQCW-INIZCTEOSA-N 1 2 382.895 3.928 20 30 GHEDLO Cc1sc2nc(C[NH+]3CCCC3)nc(SCCO[C@@H](C)C#N)c2c1C ZINC000802750564 922381234 /nfs/dbraw/zinc/38/12/34/922381234.db2.gz BNHOLJFFTDBCHO-LBPRGKRZSA-N 1 2 376.551 3.925 20 30 GHEDLO Cn1cc[nH+]c1CCCOC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000802788095 922407227 /nfs/dbraw/zinc/40/72/27/922407227.db2.gz QEWZINUNLWISKY-UHFFFAOYSA-N 1 2 375.428 3.660 20 30 GHEDLO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000370420034 924085175 /nfs/dbraw/zinc/08/51/75/924085175.db2.gz CWEPTRPTUUOTAR-FQEVSTJZSA-N 1 2 388.446 3.685 20 30 GHEDLO N#CCOc1cccc(CC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)c1 ZINC000371207135 924474832 /nfs/dbraw/zinc/47/48/32/924474832.db2.gz IJLMFCXHAQMBGZ-UHFFFAOYSA-N 1 2 384.439 3.685 20 30 GHEDLO C=CC[N@H+](Cc1cn(Cc2ccccc2)c2ccccc12)[C@@H]1CCS(=O)(=O)C1 ZINC000678205288 924663769 /nfs/dbraw/zinc/66/37/69/924663769.db2.gz WIDZTKBTKZGDRA-OAQYLSRUSA-N 1 2 394.540 3.865 20 30 GHEDLO C=CC[N@@H+](Cc1cn(Cc2ccccc2)c2ccccc12)[C@@H]1CCS(=O)(=O)C1 ZINC000678205288 924663773 /nfs/dbraw/zinc/66/37/73/924663773.db2.gz WIDZTKBTKZGDRA-OAQYLSRUSA-N 1 2 394.540 3.865 20 30 GHEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cccc(Br)c1OC ZINC001276090138 925499222 /nfs/dbraw/zinc/49/92/22/925499222.db2.gz DPNBCQUCTVDNEO-IBGZPJMESA-N 1 2 393.325 3.601 20 30 GHEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(Br)c1OC ZINC001276090138 925499223 /nfs/dbraw/zinc/49/92/23/925499223.db2.gz DPNBCQUCTVDNEO-IBGZPJMESA-N 1 2 393.325 3.601 20 30 GHEDLO C=CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)C(=O)Nc1cc(OC)ccc1OC ZINC000411188494 926191825 /nfs/dbraw/zinc/19/18/25/926191825.db2.gz DGWJJLFQWICWSD-MRXNPFEDSA-N 1 2 379.460 3.591 20 30 GHEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)C(=O)Nc1cc(OC)ccc1OC ZINC000411188494 926191834 /nfs/dbraw/zinc/19/18/34/926191834.db2.gz DGWJJLFQWICWSD-MRXNPFEDSA-N 1 2 379.460 3.591 20 30 GHEDLO C#CC[N@@H+](CC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC)Cc1ccccc1 ZINC000796638089 926383050 /nfs/dbraw/zinc/38/30/50/926383050.db2.gz FQOGWCMDKXEEFD-QFIPXVFZSA-N 1 2 392.499 3.503 20 30 GHEDLO C#CC[N@H+](CC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC)Cc1ccccc1 ZINC000796638089 926383058 /nfs/dbraw/zinc/38/30/58/926383058.db2.gz FQOGWCMDKXEEFD-QFIPXVFZSA-N 1 2 392.499 3.503 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000373960767 926595354 /nfs/dbraw/zinc/59/53/54/926595354.db2.gz VXDSEIXAZWPQOD-DLBZAZTESA-N 1 2 395.532 3.689 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000373960767 926595362 /nfs/dbraw/zinc/59/53/62/926595362.db2.gz VXDSEIXAZWPQOD-DLBZAZTESA-N 1 2 395.532 3.689 20 30 GHEDLO O=S(=O)(NC1CC1)c1ccc(N[NH+]=Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000726423869 926655844 /nfs/dbraw/zinc/65/58/44/926655844.db2.gz PFZRIUZTTZGNGB-UHFFFAOYSA-N 1 2 398.532 3.564 20 30 GHEDLO CCN(CC)c1ccc(C=[NH+]Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1 ZINC000726424989 926656699 /nfs/dbraw/zinc/65/66/99/926656699.db2.gz SZUYOAJLRAZVMY-UHFFFAOYSA-N 1 2 381.448 3.975 20 30 GHEDLO COc1ccc(C(N)=[NH+]OCc2nnc(-c3c(Cl)cccc3Cl)o2)cc1 ZINC000726596922 926752122 /nfs/dbraw/zinc/75/21/22/926752122.db2.gz JWNSIJKTCXAOIG-UHFFFAOYSA-N 1 2 393.230 3.889 20 30 GHEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c(Cl)cc(OC)cc1Cl ZINC001276181089 926857542 /nfs/dbraw/zinc/85/75/42/926857542.db2.gz QUAWRAUFZWTJAT-IBGZPJMESA-N 1 2 381.303 3.592 20 30 GHEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c(Cl)cc(OC)cc1Cl ZINC001276181089 926857556 /nfs/dbraw/zinc/85/75/56/926857556.db2.gz QUAWRAUFZWTJAT-IBGZPJMESA-N 1 2 381.303 3.592 20 30 GHEDLO N#Cc1c(NC(=O)C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)sc2c1CCCCC2 ZINC000411943032 926928215 /nfs/dbraw/zinc/92/82/15/926928215.db2.gz MLOCRPORKJERRB-LPHOPBHVSA-N 1 2 395.528 3.635 20 30 GHEDLO N#Cc1c(NC(=O)C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)sc2c1CCCCC2 ZINC000411943032 926928225 /nfs/dbraw/zinc/92/82/25/926928225.db2.gz MLOCRPORKJERRB-LPHOPBHVSA-N 1 2 395.528 3.635 20 30 GHEDLO CC(C)[C@H](NC(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1)c1ccc(F)cc1 ZINC000374291055 926986821 /nfs/dbraw/zinc/98/68/21/926986821.db2.gz IDPTXEJAXAGDCJ-QFIPXVFZSA-N 1 2 394.494 3.591 20 30 GHEDLO CCC(CC)CN(CCC#N)C(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000544487472 929226758 /nfs/dbraw/zinc/22/67/58/929226758.db2.gz NVLTUGPUHJVLPP-UHFFFAOYSA-N 1 2 379.508 3.611 20 30 GHEDLO C[C@@H]1CC(=NN2C(=S)N=NC2Cc2cccc3ccccc32)C[N@@H+]1C1CC1 ZINC000753954682 929610016 /nfs/dbraw/zinc/61/00/16/929610016.db2.gz FKRNBILGYZIAOU-CQSZACIVSA-N 1 2 377.517 3.772 20 30 GHEDLO C[C@@H]1CC(=NN2C(=S)N=NC2Cc2cccc3ccccc32)C[N@H+]1C1CC1 ZINC000753954682 929610017 /nfs/dbraw/zinc/61/00/17/929610017.db2.gz FKRNBILGYZIAOU-CQSZACIVSA-N 1 2 377.517 3.772 20 30 GHEDLO Cc1nc(C(F)(F)F)c(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000546101872 929852465 /nfs/dbraw/zinc/85/24/65/929852465.db2.gz CTMPUHHZGMAZIW-UHFFFAOYSA-N 1 2 380.439 3.660 20 30 GHEDLO C=CCN(C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1)C(C)C ZINC000758695198 930134720 /nfs/dbraw/zinc/13/47/20/930134720.db2.gz JHCRVMLNKPZONP-UHFFFAOYSA-N 1 2 379.302 3.554 20 30 GHEDLO N#Cc1ccccc1N1CC[NH+](C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000759064041 930261584 /nfs/dbraw/zinc/26/15/84/930261584.db2.gz CVDNTLPCNWFHSZ-IBGZPJMESA-N 1 2 376.287 3.721 20 30 GHEDLO CC(=[NH+]Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(F)cc1N(C)C ZINC000759196845 930305908 /nfs/dbraw/zinc/30/59/08/930305908.db2.gz NASSIINHUJOQND-UHFFFAOYSA-N 1 2 385.411 3.724 20 30 GHEDLO CC(C)OCC[NH+]1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000470225519 930466755 /nfs/dbraw/zinc/46/67/55/930466755.db2.gz BDRULHHSFHYTPU-UHFFFAOYSA-N 1 2 393.487 3.533 20 30 GHEDLO COc1cccc(CCCO[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)c1 ZINC000759759680 930481049 /nfs/dbraw/zinc/48/10/49/930481049.db2.gz RRCBVDPIZXBCQD-UHFFFAOYSA-N 1 2 391.471 3.939 20 30 GHEDLO Fc1cc(N[NH+]=Cc2sc(N3CCOCC3)nc2-c2ccccc2)ccn1 ZINC000781126989 930709153 /nfs/dbraw/zinc/70/91/53/930709153.db2.gz JAPFSPWCGHVVJW-UHFFFAOYSA-N 1 2 383.452 3.627 20 30 GHEDLO C=CCn1c(COc2ccccc2F)nnc1SCc1cc[nH+]c(N(C)C)c1 ZINC000782110057 931093917 /nfs/dbraw/zinc/09/39/17/931093917.db2.gz HZARPVLWYGOSCU-UHFFFAOYSA-N 1 2 399.495 3.936 20 30 GHEDLO C#CCN(C(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1)C1CCCC1 ZINC000782761353 931328198 /nfs/dbraw/zinc/32/81/98/931328198.db2.gz TVXFBSOGTRWHNM-QUCCMNQESA-N 1 2 393.453 3.827 20 30 GHEDLO C#CCN(C(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1)C1CCCC1 ZINC000782761353 931328207 /nfs/dbraw/zinc/32/82/07/931328207.db2.gz TVXFBSOGTRWHNM-QUCCMNQESA-N 1 2 393.453 3.827 20 30 GHEDLO C=CCn1c2ccccc2n(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1=S ZINC000782864091 931355031 /nfs/dbraw/zinc/35/50/31/931355031.db2.gz XXBOXYIOTFQWIF-UHFFFAOYSA-N 1 2 398.492 3.758 20 30 GHEDLO C#CCOc1cc(F)ccc1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000783060159 931398709 /nfs/dbraw/zinc/39/87/09/931398709.db2.gz FVFUJECXBHUXCE-UHFFFAOYSA-N 1 2 384.455 3.759 20 30 GHEDLO Cc1ccc(-c2nn(CCC#N)cc2C(=O)OCCCn2cc[nH+]c2)cc1C ZINC000783203160 931458723 /nfs/dbraw/zinc/45/87/23/931458723.db2.gz KKOBFAVOBYYIJC-UHFFFAOYSA-N 1 2 377.448 3.524 20 30 GHEDLO COc1c[nH+]c(N[C@H](C)c2ccc(C#N)cc2)nc1N[C@H](C)c1ccc(C#N)cc1 ZINC000557519265 931514884 /nfs/dbraw/zinc/51/48/84/931514884.db2.gz HNENVXYEXAIXLT-HZPDHXFCSA-N 1 2 398.470 3.997 20 30 GHEDLO C=CCn1c2ccccc2n(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)c1=S ZINC000784000813 931750355 /nfs/dbraw/zinc/75/03/55/931750355.db2.gz SLRGMUHTMUKBHW-KRWDZBQOSA-N 1 2 387.549 3.833 20 30 GHEDLO COc1ccc2c(c1)C1(CC1)C[N@H+]([C@H](C)C(=O)N(CCC#N)c1ccccc1)C2 ZINC000558477517 932025458 /nfs/dbraw/zinc/02/54/58/932025458.db2.gz AHGMRRHHFVUWOO-GOSISDBHSA-N 1 2 389.499 3.878 20 30 GHEDLO COc1ccc2c(c1)C1(CC1)C[N@@H+]([C@H](C)C(=O)N(CCC#N)c1ccccc1)C2 ZINC000558477517 932025466 /nfs/dbraw/zinc/02/54/66/932025466.db2.gz AHGMRRHHFVUWOO-GOSISDBHSA-N 1 2 389.499 3.878 20 30 GHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)OCc1ccc(C2(C#N)CC2)cc1 ZINC000796812031 932076243 /nfs/dbraw/zinc/07/62/43/932076243.db2.gz BGKGHUTUEODIMB-UHFFFAOYSA-N 1 2 381.382 3.922 20 30 GHEDLO CC[C@@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1cccc(C#N)c1O ZINC000926559228 932228107 /nfs/dbraw/zinc/22/81/07/932228107.db2.gz LEBVKDQKGFDDDZ-LJQANCHMSA-N 1 2 387.430 3.620 20 30 GHEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+](C)[C@@H]2CC[C@H](SC)C2)c1=S ZINC001116292751 933461306 /nfs/dbraw/zinc/46/13/06/933461306.db2.gz DGWKLUOJURQNDO-CABCVRRESA-N 1 2 375.567 3.835 20 30 GHEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+](C)[C@@H]2CC[C@H](SC)C2)c1=S ZINC001116292751 933461310 /nfs/dbraw/zinc/46/13/10/933461310.db2.gz DGWKLUOJURQNDO-CABCVRRESA-N 1 2 375.567 3.835 20 30 GHEDLO C[C@@H](c1cccc(NC(=O)N(C)Cc2cc(C#N)cs2)c1)[NH+]1CCOCC1 ZINC000930229673 933909084 /nfs/dbraw/zinc/90/90/84/933909084.db2.gz SBMICAMLOQZLMN-HNNXBMFYSA-N 1 2 384.505 3.677 20 30 GHEDLO Cc1ccc(CNC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)cc1C#N ZINC000930231192 933909916 /nfs/dbraw/zinc/90/99/16/933909916.db2.gz ZFCZVJHQYBCZOB-KRWDZBQOSA-N 1 2 378.476 3.582 20 30 GHEDLO CN(Cc1ccc2ccccc2c1)c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001121323860 934627031 /nfs/dbraw/zinc/62/70/31/934627031.db2.gz GVIKWYOONKEMHR-UHFFFAOYSA-N 1 2 388.519 3.698 20 30 GHEDLO C[C@@H]1CCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2C)CC12CCCCC2 ZINC001121324466 934627893 /nfs/dbraw/zinc/62/78/93/934627893.db2.gz RCJQICFZSSTNLN-GOSISDBHSA-N 1 2 384.572 3.705 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCCC[C@H](C2CCOCC2)C1 ZINC001121508937 934678623 /nfs/dbraw/zinc/67/86/23/934678623.db2.gz ABABNIZOIUTUOS-VQTJNVASSA-N 1 2 387.572 3.654 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCCC[C@H](C2CCOCC2)C1 ZINC001121508937 934678629 /nfs/dbraw/zinc/67/86/29/934678629.db2.gz ABABNIZOIUTUOS-VQTJNVASSA-N 1 2 387.572 3.654 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC001121510560 934679548 /nfs/dbraw/zinc/67/95/48/934679548.db2.gz YJFDQSZFEDNNTO-RYQLBKOJSA-N 1 2 387.553 3.649 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC001121510560 934679552 /nfs/dbraw/zinc/67/95/52/934679552.db2.gz YJFDQSZFEDNNTO-RYQLBKOJSA-N 1 2 387.553 3.649 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@H](Cc2nccs2)C1 ZINC001121510537 934679722 /nfs/dbraw/zinc/67/97/22/934679722.db2.gz YDMZBEFANXQIAL-IAGOWNOFSA-N 1 2 386.569 3.537 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@H](Cc2nccs2)C1 ZINC001121510537 934679733 /nfs/dbraw/zinc/67/97/33/934679733.db2.gz YDMZBEFANXQIAL-IAGOWNOFSA-N 1 2 386.569 3.537 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001121682913 934737615 /nfs/dbraw/zinc/73/76/15/934737615.db2.gz XRVBEKTZHGAXJO-PGRDOPGGSA-N 1 2 378.524 3.787 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001121682913 934737618 /nfs/dbraw/zinc/73/76/18/934737618.db2.gz XRVBEKTZHGAXJO-PGRDOPGGSA-N 1 2 378.524 3.787 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC[C@@H](Cc2nccs2)C1 ZINC001122440592 934870520 /nfs/dbraw/zinc/87/05/20/934870520.db2.gz FMRCMCGXQDKAAU-DLBZAZTESA-N 1 2 386.569 3.537 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC[C@@H](Cc2nccs2)C1 ZINC001122440592 934870524 /nfs/dbraw/zinc/87/05/24/934870524.db2.gz FMRCMCGXQDKAAU-DLBZAZTESA-N 1 2 386.569 3.537 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC[C@@]2(CC2(F)F)C1 ZINC001122445744 934871977 /nfs/dbraw/zinc/87/19/77/934871977.db2.gz ZEORPSCEVRBDCE-VQIMIIECSA-N 1 2 390.482 3.922 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC001122530249 934891304 /nfs/dbraw/zinc/89/13/04/934891304.db2.gz ZJSJBPIEYGKIQQ-VBQJREDUSA-N 1 2 384.355 3.641 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC001122530249 934891310 /nfs/dbraw/zinc/89/13/10/934891310.db2.gz ZJSJBPIEYGKIQQ-VBQJREDUSA-N 1 2 384.355 3.641 20 30 GHEDLO CC[NH+](CC)[C@@H](C(=O)[C@H](C#N)c1nccn1C)c1cccc(C(F)(F)F)c1 ZINC001122606890 934917317 /nfs/dbraw/zinc/91/73/17/934917317.db2.gz RWVOTEUKRVNMON-JKSUJKDBSA-N 1 2 378.398 3.698 20 30 GHEDLO CC(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@@H]1C1CCC1 ZINC001122831514 935002628 /nfs/dbraw/zinc/00/26/28/935002628.db2.gz LSXUMZUYDPWOKZ-HXUWFJFHSA-N 1 2 384.572 3.796 20 30 GHEDLO C#CCn1ccc(CN(CCOC)c2[nH+]ccc3cc(C(F)(F)F)ccc32)n1 ZINC000828040267 935568575 /nfs/dbraw/zinc/56/85/75/935568575.db2.gz FJCYRAPLAPOLKB-UHFFFAOYSA-N 1 2 388.393 3.736 20 30 GHEDLO COc1ccc(C[N@@H+]2CCC[C@H](N(C(=O)OC(C)(C)C)C3CC3)C2)c(C#N)c1 ZINC001137706087 935735526 /nfs/dbraw/zinc/73/55/26/935735526.db2.gz NTJHYLDAOIAYCT-IBGZPJMESA-N 1 2 385.508 3.931 20 30 GHEDLO COc1ccc(C[N@H+]2CCC[C@H](N(C(=O)OC(C)(C)C)C3CC3)C2)c(C#N)c1 ZINC001137706087 935735529 /nfs/dbraw/zinc/73/55/29/935735529.db2.gz NTJHYLDAOIAYCT-IBGZPJMESA-N 1 2 385.508 3.931 20 30 GHEDLO C#CC[C@@H]1CCC[N@@H+](Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000829778546 935859900 /nfs/dbraw/zinc/85/99/00/935859900.db2.gz DVEXPYIRJJGUSV-GFCCVEGCSA-N 1 2 383.805 3.570 20 30 GHEDLO C#CC[C@@H]1CCC[N@H+](Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000829778546 935859903 /nfs/dbraw/zinc/85/99/03/935859903.db2.gz DVEXPYIRJJGUSV-GFCCVEGCSA-N 1 2 383.805 3.570 20 30 GHEDLO C=CCn1nc(C)c(-c2cc(C(=O)Nc3cccc(-n4cc[nH+]c4)c3)n[nH]2)c1C ZINC001625885703 1014315141 /nfs/dbraw/zinc/31/51/41/1014315141.db2.gz PXMPRYHBLATGQJ-UHFFFAOYSA-N 1 2 387.447 3.514 20 30 GHEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1Cc2cc(OC)ccc2C[C@H]1c1ccccc1 ZINC000469036386 1016358812 /nfs/dbraw/zinc/35/88/12/1016358812.db2.gz RDOVTQGJVBRFDU-JPYJTQIMSA-N 1 2 391.515 3.803 20 30 GHEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1Cc2cc(OC)ccc2C[C@H]1c1ccccc1 ZINC000469036386 1016358820 /nfs/dbraw/zinc/35/88/20/1016358820.db2.gz RDOVTQGJVBRFDU-JPYJTQIMSA-N 1 2 391.515 3.803 20 30 GHEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000470028323 1016703531 /nfs/dbraw/zinc/70/35/31/1016703531.db2.gz MQJXIKIHYNDRNA-CRAIPNDOSA-N 1 2 390.270 3.545 20 30 GHEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000470028323 1016703546 /nfs/dbraw/zinc/70/35/46/1016703546.db2.gz MQJXIKIHYNDRNA-CRAIPNDOSA-N 1 2 390.270 3.545 20 30 GHEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cnc(C(F)(F)F)cc1Cl ZINC001277228474 1032500547 /nfs/dbraw/zinc/50/05/47/1032500547.db2.gz OLSZJFBVHONFJR-KRWDZBQOSA-N 1 2 387.833 3.897 20 30 GHEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cnc(C(F)(F)F)cc1Cl ZINC001277228474 1032500552 /nfs/dbraw/zinc/50/05/52/1032500552.db2.gz OLSZJFBVHONFJR-KRWDZBQOSA-N 1 2 387.833 3.897 20 30 GHEDLO NC(=[NH+]OCc1ccc2c(c1)COC2)c1ccc(OCc2cccnc2)cc1 ZINC000778026674 1018050794 /nfs/dbraw/zinc/05/07/94/1018050794.db2.gz CJYSMMCHHWSVNN-UHFFFAOYSA-N 1 2 375.428 3.528 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(O)(C2CCC2)CC1 ZINC000932817061 1018688453 /nfs/dbraw/zinc/68/84/53/1018688453.db2.gz GNBGHEKBBLEKIY-INIZCTEOSA-N 1 2 387.549 3.504 20 30 GHEDLO Cc1nc(C[NH+]2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)oc1C ZINC000932943610 1018772735 /nfs/dbraw/zinc/77/27/35/1018772735.db2.gz NPRKOEKNEVACIW-IUCAKERBSA-N 1 2 378.263 3.894 20 30 GHEDLO C=CCn1ncc2ccc(NC(=O)N3CC[NH+]([C@@H](C)c4cccnc4)CC3)cc21 ZINC000933068661 1018827611 /nfs/dbraw/zinc/82/76/11/1018827611.db2.gz GIFGIIGBDFNBGM-KRWDZBQOSA-N 1 2 390.491 3.528 20 30 GHEDLO C=CCN1CCC2(CC[NH+](Cc3cc(C(F)(F)F)cnc3Cl)CC2)C1=O ZINC001277275517 1032808741 /nfs/dbraw/zinc/80/87/41/1032808741.db2.gz ZXBAPHYRWFUXQI-UHFFFAOYSA-N 1 2 387.833 3.754 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000043467951 1019484632 /nfs/dbraw/zinc/48/46/32/1019484632.db2.gz JIZJBAPOJLOBRK-UHFFFAOYSA-N 1 2 388.393 3.927 20 30 GHEDLO CCCOc1cccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000044204990 1019599064 /nfs/dbraw/zinc/59/90/64/1019599064.db2.gz ZVFAHVQQNUDONU-UHFFFAOYSA-N 1 2 378.476 3.697 20 30 GHEDLO CC1CC[NH+](Cc2csc(NC(=O)C3(c4ccc(C#N)cc4)CC3)n2)CC1 ZINC000189066806 1020442302 /nfs/dbraw/zinc/44/23/02/1020442302.db2.gz VPLYNGUCDLEXEN-UHFFFAOYSA-N 1 2 380.517 3.917 20 30 GHEDLO CCOC(=O)c1csc([C@H]2CCC[N@@H+]2CCCOc2cccc(C#N)c2)n1 ZINC000191459066 1020767812 /nfs/dbraw/zinc/76/78/12/1020767812.db2.gz VWJAJYAIFSMJSC-GOSISDBHSA-N 1 2 385.489 3.797 20 30 GHEDLO CCOC(=O)c1csc([C@H]2CCC[N@H+]2CCCOc2cccc(C#N)c2)n1 ZINC000191459066 1020767820 /nfs/dbraw/zinc/76/78/20/1020767820.db2.gz VWJAJYAIFSMJSC-GOSISDBHSA-N 1 2 385.489 3.797 20 30 GHEDLO COC(=O)c1cccc(N[NH+]=C(C)c2ccc(N3CCOCC3)cc2Cl)c1 ZINC000779827617 1020967854 /nfs/dbraw/zinc/96/78/54/1020967854.db2.gz LPCIFMRNAPLDOD-UHFFFAOYSA-N 1 2 387.867 3.799 20 30 GHEDLO CCN(Cc1cc(C#N)ccc1Cl)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001140603529 1022051750 /nfs/dbraw/zinc/05/17/50/1022051750.db2.gz RQSWHFAUYOMDHS-NRFANRHFSA-N 1 2 383.923 3.935 20 30 GHEDLO CCN(Cc1cc(C#N)ccc1Cl)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001140603529 1022051769 /nfs/dbraw/zinc/05/17/69/1022051769.db2.gz RQSWHFAUYOMDHS-NRFANRHFSA-N 1 2 383.923 3.935 20 30 GHEDLO N#Cc1ncc(Nc2cc[nH+]c3cc(I)ccc23)cc1F ZINC001203055487 1022168466 /nfs/dbraw/zinc/16/84/66/1022168466.db2.gz NOSVRWXQFLQCED-UHFFFAOYSA-N 1 2 390.159 3.989 20 30 GHEDLO CN(C)c1cc(CN(Cc2ccc(C#N)cc2)c2ccc3[nH]c(=O)[nH]c3c2)cc[nH+]1 ZINC000754067883 1022459012 /nfs/dbraw/zinc/45/90/12/1022459012.db2.gz QTKDCZNHFPFFTK-UHFFFAOYSA-N 1 2 398.470 3.808 20 30 GHEDLO CCc1ccc([C@@H](COC)[NH2+]CC(=O)N(CCC#N)c2ccc(C)c(C)c2)o1 ZINC000754346511 1022632744 /nfs/dbraw/zinc/63/27/44/1022632744.db2.gz CSQRMMMAVYXFJE-HXUWFJFHSA-N 1 2 383.492 3.683 20 30 GHEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000754493459 1022738735 /nfs/dbraw/zinc/73/87/35/1022738735.db2.gz NIKVFRCJUIIZEP-NRFANRHFSA-N 1 2 375.428 3.891 20 30 GHEDLO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3ccc(O)c(F)c3F)CC2)C1 ZINC001140889482 1022805792 /nfs/dbraw/zinc/80/57/92/1022805792.db2.gz HIZFLUONCWZHSA-UHFFFAOYSA-N 1 2 380.435 3.671 20 30 GHEDLO Cc1nc(NCc2cccc(C(=O)OCc3ccc(F)cc3C#N)c2)cc[nH+]1 ZINC000754949875 1022980362 /nfs/dbraw/zinc/98/03/62/1022980362.db2.gz GJLJLASRRDBZEW-UHFFFAOYSA-N 1 2 376.391 3.765 20 30 GHEDLO C#CCOc1ccc(F)cc1NC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000755407671 1023234526 /nfs/dbraw/zinc/23/45/26/1023234526.db2.gz BVJIHZXNCYCPJC-UHFFFAOYSA-N 1 2 390.418 3.801 20 30 GHEDLO COCC[N@H+](Cc1ccc(F)cc1C#N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001141167112 1023998656 /nfs/dbraw/zinc/99/86/56/1023998656.db2.gz AFZUNSQMLLNBFH-IBGZPJMESA-N 1 2 391.487 3.545 20 30 GHEDLO COCC[N@@H+](Cc1ccc(F)cc1C#N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001141167112 1023998661 /nfs/dbraw/zinc/99/86/61/1023998661.db2.gz AFZUNSQMLLNBFH-IBGZPJMESA-N 1 2 391.487 3.545 20 30 GHEDLO C[C@H](NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)c1cccc(C#N)c1 ZINC001229098601 1033278663 /nfs/dbraw/zinc/27/86/63/1033278663.db2.gz KVDJNOSWPUUZSA-AWEZNQCLSA-N 1 2 379.851 3.958 20 30 GHEDLO CCCC[N@H+](CCC#N)Cc1cnc2[nH]cc(I)c2c1 ZINC001138839689 1025451169 /nfs/dbraw/zinc/45/11/69/1025451169.db2.gz IUFJOWOLUZLFSK-UHFFFAOYSA-N 1 2 382.249 3.683 20 30 GHEDLO CCCC[N@@H+](CCC#N)Cc1cnc2[nH]cc(I)c2c1 ZINC001138839689 1025451174 /nfs/dbraw/zinc/45/11/74/1025451174.db2.gz IUFJOWOLUZLFSK-UHFFFAOYSA-N 1 2 382.249 3.683 20 30 GHEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cc3ccc(OC)cc3nc2Cl)C1 ZINC001139309724 1026165094 /nfs/dbraw/zinc/16/50/94/1026165094.db2.gz CPNIOANLHAGCIN-MRXNPFEDSA-N 1 2 389.883 3.773 20 30 GHEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc3ccc(OC)cc3nc2Cl)C1 ZINC001139309724 1026165103 /nfs/dbraw/zinc/16/51/03/1026165103.db2.gz CPNIOANLHAGCIN-MRXNPFEDSA-N 1 2 389.883 3.773 20 30 GHEDLO N#Cc1nccnc1N1CC[NH+](Cc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC001139417828 1026289309 /nfs/dbraw/zinc/28/93/09/1026289309.db2.gz PMNVVMSOPVXOPU-UHFFFAOYSA-N 1 2 379.851 3.584 20 30 GHEDLO N#Cc1cccc(-c2cc(C(F)(F)N3CC[NH2+]CC(F)(F)C3)cnc2Cl)c1 ZINC001164502188 1026537562 /nfs/dbraw/zinc/53/75/62/1026537562.db2.gz IYVOASJVCDJPNH-UHFFFAOYSA-N 1 2 398.791 3.863 20 30 GHEDLO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](Cc3cccc(Cl)c3C#N)C[C@H]12 ZINC001139689721 1026540991 /nfs/dbraw/zinc/54/09/91/1026540991.db2.gz TYIJAPBGYBVOSO-GOTSBHOMSA-N 1 2 393.918 3.976 20 30 GHEDLO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3cccc(Cl)c3C#N)C[C@H]12 ZINC001139689721 1026540997 /nfs/dbraw/zinc/54/09/97/1026540997.db2.gz TYIJAPBGYBVOSO-GOTSBHOMSA-N 1 2 393.918 3.976 20 30 GHEDLO CCOC[C@@H]1C[N@H+](Cc2c[nH]c3c2cccc3C#N)Cc2nn(CC3CC3)cc21 ZINC001139704172 1026548312 /nfs/dbraw/zinc/54/83/12/1026548312.db2.gz SXGCMISPGJSXPI-IBGZPJMESA-N 1 2 389.503 3.782 20 30 GHEDLO CCOC[C@@H]1C[N@@H+](Cc2c[nH]c3c2cccc3C#N)Cc2nn(CC3CC3)cc21 ZINC001139704172 1026548318 /nfs/dbraw/zinc/54/83/18/1026548318.db2.gz SXGCMISPGJSXPI-IBGZPJMESA-N 1 2 389.503 3.782 20 30 GHEDLO N#C[C@@H]1C[NH2+]CCN1C(F)(F)c1cnc(Cl)c(-c2ccc(Cl)cc2)c1 ZINC001165184587 1026652914 /nfs/dbraw/zinc/65/29/14/1026652914.db2.gz XHZJPKFFPSIBKU-CQSZACIVSA-N 1 2 383.229 3.902 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCO[C@]3(CCC[C@H]3COCc3ccncc3)C2)c(F)c1 ZINC001140137028 1026910274 /nfs/dbraw/zinc/91/02/74/1026910274.db2.gz XOVBPZAKIVCRNP-JTHBVZDNSA-N 1 2 395.478 3.680 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCO[C@]3(CCC[C@H]3COCc3ccncc3)C2)c(F)c1 ZINC001140137028 1026910277 /nfs/dbraw/zinc/91/02/77/1026910277.db2.gz XOVBPZAKIVCRNP-JTHBVZDNSA-N 1 2 395.478 3.680 20 30 GHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1=S ZINC000840119706 1027237781 /nfs/dbraw/zinc/23/77/81/1027237781.db2.gz INWSDQORBWYKEW-OTWHNJEPSA-N 1 2 399.564 3.635 20 30 GHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1=S ZINC000840119706 1027237803 /nfs/dbraw/zinc/23/78/03/1027237803.db2.gz INWSDQORBWYKEW-OTWHNJEPSA-N 1 2 399.564 3.635 20 30 GHEDLO N#C[C@@H]1C[NH2+]CCN1Cc1ccc(OCc2ccccc2)cc1C(F)(F)F ZINC001210197139 1027382964 /nfs/dbraw/zinc/38/29/64/1027382964.db2.gz XAUYZRBLRZNDED-QGZVFWFLSA-N 1 2 375.394 3.582 20 30 GHEDLO CCOC(=O)CCCc1[nH+]c2cc(Nc3cnc(C#N)c(C)c3)ccc2n1C ZINC001210205337 1027385400 /nfs/dbraw/zinc/38/54/00/1027385400.db2.gz OHGINTQGDCLSGG-UHFFFAOYSA-N 1 2 377.448 3.778 20 30 GHEDLO Cc1cc(C#N)cc(Nc2cncnc2[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC001210387958 1027484885 /nfs/dbraw/zinc/48/48/85/1027484885.db2.gz YNEPTIJHIZPECD-QFIPXVFZSA-N 1 2 385.471 3.974 20 30 GHEDLO Cc1cc(C#N)cc(Nc2cncnc2[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC001210387958 1027484893 /nfs/dbraw/zinc/48/48/93/1027484893.db2.gz YNEPTIJHIZPECD-QFIPXVFZSA-N 1 2 385.471 3.974 20 30 GHEDLO CC(=O)N1CCCCC12CC[NH+](Cc1cc(Br)ccc1C#N)CC2 ZINC001141901355 1027622941 /nfs/dbraw/zinc/62/29/41/1027622941.db2.gz UHRKUZWYCHFKRF-UHFFFAOYSA-N 1 2 390.325 3.688 20 30 GHEDLO COc1cc(C#N)ccc1OC1CC[NH+](Cc2ccc(C#N)c(SC)n2)CC1 ZINC001141943818 1027721532 /nfs/dbraw/zinc/72/15/32/1027721532.db2.gz MBSUFZZWBZDOKG-UHFFFAOYSA-N 1 2 394.500 3.599 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1Cc1ccc(OC)c2ccccc12 ZINC001203991060 1027789112 /nfs/dbraw/zinc/78/91/12/1027789112.db2.gz CRQBXRAAVFKGMI-OAQYLSRUSA-N 1 2 392.503 3.762 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1Cc1ccc(OC)c2ccccc12 ZINC001203991060 1027789132 /nfs/dbraw/zinc/78/91/32/1027789132.db2.gz CRQBXRAAVFKGMI-OAQYLSRUSA-N 1 2 392.503 3.762 20 30 GHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc4c(C#N)c[nH]c4c3)n2)C1 ZINC001142036193 1027927027 /nfs/dbraw/zinc/92/70/27/1027927027.db2.gz BQXWBYKOBIZPCF-ZDUSSCGKSA-N 1 2 379.489 3.980 20 30 GHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc4c(C#N)c[nH]c4c3)n2)C1 ZINC001142036193 1027927037 /nfs/dbraw/zinc/92/70/37/1027927037.db2.gz BQXWBYKOBIZPCF-ZDUSSCGKSA-N 1 2 379.489 3.980 20 30 GHEDLO CCOC(=O)Cc1c(C#N)c(Nc2c[nH+]cc(C)c2C)sc1C(=O)OCC ZINC001213525031 1028240984 /nfs/dbraw/zinc/24/09/84/1028240984.db2.gz LLXAXGTZQCIETF-UHFFFAOYSA-N 1 2 387.461 3.658 20 30 GHEDLO N#Cc1cc(Cl)ccc1NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC001461552476 1069605625 /nfs/dbraw/zinc/60/56/25/1069605625.db2.gz XIOVVMKTEQHFTA-UHFFFAOYSA-N 1 2 393.834 3.689 20 30 GHEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)c1F ZINC001143166128 1029878013 /nfs/dbraw/zinc/87/80/13/1029878013.db2.gz GEIRRRJSRUTZLK-DENIHFKCSA-N 1 2 399.441 3.682 20 30 GHEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)c1F ZINC001143166128 1029878016 /nfs/dbraw/zinc/87/80/16/1029878016.db2.gz GEIRRRJSRUTZLK-DENIHFKCSA-N 1 2 399.441 3.682 20 30 GHEDLO C=C(C)CN1C[C@]2(CC[N@H+](Cc3c(Cl)cc(C)cc3Cl)C2)OCC1=O ZINC001276907481 1030675162 /nfs/dbraw/zinc/67/51/62/1030675162.db2.gz INLIOHFKHBKOFU-LJQANCHMSA-N 1 2 383.319 3.681 20 30 GHEDLO C=C(C)CN1C[C@]2(CC[N@@H+](Cc3c(Cl)cc(C)cc3Cl)C2)OCC1=O ZINC001276907481 1030675171 /nfs/dbraw/zinc/67/51/71/1030675171.db2.gz INLIOHFKHBKOFU-LJQANCHMSA-N 1 2 383.319 3.681 20 30 GHEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2csc(-c3cccc(Cl)c3)n2)C1=O ZINC001276992646 1031087730 /nfs/dbraw/zinc/08/77/30/1031087730.db2.gz UBSJAVSXPXDFDZ-HXUWFJFHSA-N 1 2 385.920 3.664 20 30 GHEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2csc(-c3cccc(Cl)c3)n2)C1=O ZINC001276992646 1031087750 /nfs/dbraw/zinc/08/77/50/1031087750.db2.gz UBSJAVSXPXDFDZ-HXUWFJFHSA-N 1 2 385.920 3.664 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2cc(Br)cc(OC)c2)C1=O ZINC001277017939 1031247416 /nfs/dbraw/zinc/24/74/16/1031247416.db2.gz JGKXZDIEZYQRKA-LJQANCHMSA-N 1 2 393.325 3.601 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+]2Cc2cc(Br)cc(OC)c2)C1=O ZINC001277017939 1031247431 /nfs/dbraw/zinc/24/74/31/1031247431.db2.gz JGKXZDIEZYQRKA-LJQANCHMSA-N 1 2 393.325 3.601 20 30 GHEDLO C[N+](C)(C)C[C@@H](CC#N)Oc1cc(O)cc2oc(-c3ccccc3)cc(=O)c12 ZINC001226500074 1031987204 /nfs/dbraw/zinc/98/72/04/1031987204.db2.gz GHZZPLWGMGBDBP-QGZVFWFLSA-O 1 2 379.436 3.533 20 30 GHEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cccc(Br)c1Cl ZINC001277392344 1033515501 /nfs/dbraw/zinc/51/55/01/1033515501.db2.gz VTZAVYJGJJDPQS-SFHVURJKSA-N 1 2 395.728 3.693 20 30 GHEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(Br)c1Cl ZINC001277392344 1033515508 /nfs/dbraw/zinc/51/55/08/1033515508.db2.gz VTZAVYJGJJDPQS-SFHVURJKSA-N 1 2 395.728 3.693 20 30 GHEDLO C#C[C@H](NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1)c1ccc(Cl)cc1F ZINC001157508166 1033625678 /nfs/dbraw/zinc/62/56/78/1033625678.db2.gz LNWNIOGGRBGBFS-FQEVSTJZSA-N 1 2 396.853 3.892 20 30 GHEDLO O=C1NCCc2[nH]c(-c3cc[nH+]c(N4CCC(C#Cc5ccccc5)CC4)c3)cc21 ZINC001157528648 1033642308 /nfs/dbraw/zinc/64/23/08/1033642308.db2.gz UUEZAVLSJRIRPS-UHFFFAOYSA-N 1 2 396.494 3.631 20 30 GHEDLO CCC[C@H](Oc1nc(C)c(-c2ccc3[nH+]ccn3c2)cc1C#N)C(=O)OCC ZINC001229766986 1033697632 /nfs/dbraw/zinc/69/76/32/1033697632.db2.gz XMHIKBTVUATCCC-SFHVURJKSA-N 1 2 378.432 3.687 20 30 GHEDLO CCOC(=O)[C@@H]1CC[C@@H](Oc2nc(C)c(-c3ccc4[nH+]ccn4c3)cc2C#N)C1 ZINC001229769048 1033699358 /nfs/dbraw/zinc/69/93/58/1033699358.db2.gz PZRXDNMAWXQEOR-CRAIPNDOSA-N 1 2 390.443 3.687 20 30 GHEDLO COc1ccc(C[NH+]2CCOCC2)cc1-c1ccc(C#C[Si](C)(C)C)nc1 ZINC001206532614 1033894770 /nfs/dbraw/zinc/89/47/70/1033894770.db2.gz DNYIZECXPHKVMB-UHFFFAOYSA-N 1 2 380.564 3.818 20 30 GHEDLO CCC(=O)c1cccc(C(=O)OC)c1O[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001231080167 1034384089 /nfs/dbraw/zinc/38/40/89/1034384089.db2.gz OGBSHANITJFXDX-GOSISDBHSA-N 1 2 392.455 3.591 20 30 GHEDLO CCC(=O)c1cccc(C(=O)OC)c1O[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001231080167 1034384100 /nfs/dbraw/zinc/38/41/00/1034384100.db2.gz OGBSHANITJFXDX-GOSISDBHSA-N 1 2 392.455 3.591 20 30 GHEDLO COc1cc(C#N)ccc1C[NH+]1CCC2(CC1)CC(=O)c1cc(F)ccc1O2 ZINC001231621386 1034779131 /nfs/dbraw/zinc/77/91/31/1034779131.db2.gz XLWBDFCMDNVZRX-UHFFFAOYSA-N 1 2 380.419 3.706 20 30 GHEDLO N#CCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1c(F)cc(F)cc1Cl)CC2 ZINC001277580942 1034964789 /nfs/dbraw/zinc/96/47/89/1034964789.db2.gz LDOBCXCZOCUGIH-HNNXBMFYSA-N 1 2 381.854 3.640 20 30 GHEDLO N#CCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(F)c(F)cc1Cl)CC2 ZINC001276575958 1034971792 /nfs/dbraw/zinc/97/17/92/1034971792.db2.gz PHENSYQLXXHIEV-AWEZNQCLSA-N 1 2 381.854 3.640 20 30 GHEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(Cl)c(Br)c1 ZINC001276658101 1035331875 /nfs/dbraw/zinc/33/18/75/1035331875.db2.gz XNVPXRGQHBIIFR-GOSISDBHSA-N 1 2 395.728 3.693 20 30 GHEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(Cl)c(Br)c1 ZINC001276658101 1035331880 /nfs/dbraw/zinc/33/18/80/1035331880.db2.gz XNVPXRGQHBIIFR-GOSISDBHSA-N 1 2 395.728 3.693 20 30 GHEDLO N#Cc1cccc(Oc2nc(-c3ccccc3C[NH+]3CCOCC3)ncc2F)c1 ZINC001241989849 1035779921 /nfs/dbraw/zinc/77/99/21/1035779921.db2.gz PBQFMAZBNICOTG-UHFFFAOYSA-N 1 2 390.418 3.779 20 30 GHEDLO C=CCOc1ccc(CNC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)cc1 ZINC001248611948 1035989331 /nfs/dbraw/zinc/98/93/31/1035989331.db2.gz QNQGQDBGDSXGJC-TWGQIWQCSA-N 1 2 391.515 3.792 20 30 GHEDLO N#Cc1cc(-c2ccc(OCC[NH+]3CCOCC3)cc2F)nc2ccccc12 ZINC001244135364 1036388238 /nfs/dbraw/zinc/38/82/38/1036388238.db2.gz IAHVIFXJRVCXTR-UHFFFAOYSA-N 1 2 377.419 3.624 20 30 GHEDLO N#Cc1cnc2cc(-c3ccc(OCC[NH+]4CCOCC4)cc3F)ccc2c1 ZINC001244138250 1036394849 /nfs/dbraw/zinc/39/48/49/1036394849.db2.gz NFCAFZHKBBQZEH-UHFFFAOYSA-N 1 2 377.419 3.624 20 30 GHEDLO CCCCCCCCOc1ccc(-c2noc(C[C@H]([NH3+])C(=O)OC)n2)cc1 ZINC001247629723 1038282230 /nfs/dbraw/zinc/28/22/30/1038282230.db2.gz BMMZESPFQOTABP-KRWDZBQOSA-N 1 2 375.469 3.519 20 30 GHEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2cc(Br)c(CC)s2)C1=O ZINC001277681424 1038327811 /nfs/dbraw/zinc/32/78/11/1038327811.db2.gz RRUAUSAAXQDUHM-KRWDZBQOSA-N 1 2 383.355 3.826 20 30 GHEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(Br)c(CC)s2)C1=O ZINC001277681424 1038327824 /nfs/dbraw/zinc/32/78/24/1038327824.db2.gz RRUAUSAAXQDUHM-KRWDZBQOSA-N 1 2 383.355 3.826 20 30 GHEDLO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3ncc(Cl)cc3Cl)C2)C1 ZINC001232570713 1038339294 /nfs/dbraw/zinc/33/92/94/1038339294.db2.gz FRHGTJKEQHSQCH-GOSISDBHSA-N 1 2 384.307 3.999 20 30 GHEDLO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](Cc3ncc(Cl)cc3Cl)C2)C1 ZINC001232570713 1038339304 /nfs/dbraw/zinc/33/93/04/1038339304.db2.gz FRHGTJKEQHSQCH-GOSISDBHSA-N 1 2 384.307 3.999 20 30 GHEDLO N#Cc1cc(Cl)ccc1C[NH+]1CCC2(C[C@@H](c3ccccc3)C(=O)N2)CC1 ZINC001232606830 1038389554 /nfs/dbraw/zinc/38/95/54/1038389554.db2.gz CATVANNHDJMWML-FQEVSTJZSA-N 1 2 379.891 3.850 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@H](F)[C@@]2(CC[N@H+](Cc3cc(F)ccc3C#N)C2)C1 ZINC001232889992 1038675080 /nfs/dbraw/zinc/67/50/80/1038675080.db2.gz WJUQFEDJGRSPAB-GHTZIAJQSA-N 1 2 391.462 3.868 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@H](F)[C@@]2(CC[N@@H+](Cc3cc(F)ccc3C#N)C2)C1 ZINC001232889992 1038675083 /nfs/dbraw/zinc/67/50/83/1038675083.db2.gz WJUQFEDJGRSPAB-GHTZIAJQSA-N 1 2 391.462 3.868 20 30 GHEDLO C=CCC[C@@H](O)C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(F)cc1 ZINC001252602152 1039044387 /nfs/dbraw/zinc/04/43/87/1039044387.db2.gz NKRRFMHPVFBPKH-RTBURBONSA-N 1 2 378.488 3.747 20 30 GHEDLO C=CCC[C@@H](O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(F)cc1 ZINC001252602152 1039044408 /nfs/dbraw/zinc/04/44/08/1039044408.db2.gz NKRRFMHPVFBPKH-RTBURBONSA-N 1 2 378.488 3.747 20 30 GHEDLO COc1cc(/C=C/C(C)=O)ccc1OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001234338874 1039974048 /nfs/dbraw/zinc/97/40/48/1039974048.db2.gz JWVVSVKWOVFNSH-SHBDEGQCSA-N 1 2 381.472 3.577 20 30 GHEDLO COc1cc(/C=C/C(C)=O)ccc1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001234338874 1039974051 /nfs/dbraw/zinc/97/40/51/1039974051.db2.gz JWVVSVKWOVFNSH-SHBDEGQCSA-N 1 2 381.472 3.577 20 30 GHEDLO CCOC(=O)[C@H](Cc1ccccn1)[NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254348365 1040181752 /nfs/dbraw/zinc/18/17/52/1040181752.db2.gz IXKKLEKINHVJIQ-SWCONJRYSA-N 1 2 395.478 3.689 20 30 GHEDLO C=CCOC(=O)[C@@H](Cc1ccc(OC(C)(C)C)cc1)[NH2+]C1CCSCC1 ZINC001255088230 1040775305 /nfs/dbraw/zinc/77/53/05/1040775305.db2.gz YCYPIRFMGGJOEK-LJQANCHMSA-N 1 2 377.550 3.989 20 30 GHEDLO CCn1ncc2c1C[N@H+](Cc1ccccc1CC#N)C[C@@H]2COc1cccnc1 ZINC001235515074 1040970154 /nfs/dbraw/zinc/97/01/54/1040970154.db2.gz NZCCYNNHIPQHOZ-HXUWFJFHSA-N 1 2 387.487 3.542 20 30 GHEDLO CCn1ncc2c1C[N@@H+](Cc1ccccc1CC#N)C[C@@H]2COc1cccnc1 ZINC001235515074 1040970159 /nfs/dbraw/zinc/97/01/59/1040970159.db2.gz NZCCYNNHIPQHOZ-HXUWFJFHSA-N 1 2 387.487 3.542 20 30 GHEDLO N#Cc1cc(F)c(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)c(F)c1 ZINC001235654280 1041098843 /nfs/dbraw/zinc/09/88/43/1041098843.db2.gz NYAYMQSBLCAPHZ-IRLDBZIGSA-N 1 2 399.441 3.682 20 30 GHEDLO N#Cc1cc(F)c(C[N@H+]2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)c(F)c1 ZINC001235654280 1041098859 /nfs/dbraw/zinc/09/88/59/1041098859.db2.gz NYAYMQSBLCAPHZ-IRLDBZIGSA-N 1 2 399.441 3.682 20 30 GHEDLO CC(C)(C)OC(=O)NC[C@@]1(C)CCC[N@H+](Cc2c(F)cc(C#N)cc2F)C1 ZINC001235661208 1041113907 /nfs/dbraw/zinc/11/39/07/1041113907.db2.gz MJYXNWUOMQVCRY-HXUWFJFHSA-N 1 2 379.451 3.963 20 30 GHEDLO CC(C)(C)OC(=O)NC[C@@]1(C)CCC[N@@H+](Cc2c(F)cc(C#N)cc2F)C1 ZINC001235661208 1041113919 /nfs/dbraw/zinc/11/39/19/1041113919.db2.gz MJYXNWUOMQVCRY-HXUWFJFHSA-N 1 2 379.451 3.963 20 30 GHEDLO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)C1 ZINC001237618845 1042285407 /nfs/dbraw/zinc/28/54/07/1042285407.db2.gz JQEUJOVFIXUIBV-LJQANCHMSA-N 1 2 382.863 3.795 20 30 GHEDLO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)C1 ZINC001237618845 1042285409 /nfs/dbraw/zinc/28/54/09/1042285409.db2.gz JQEUJOVFIXUIBV-LJQANCHMSA-N 1 2 382.863 3.795 20 30 GHEDLO COC(=O)C1(C#N)CC[NH+](Cc2c(C)nc3ccc(-c4ccccc4)cn32)CC1 ZINC001237659899 1042309410 /nfs/dbraw/zinc/30/94/10/1042309410.db2.gz IDNOAYHCIQGYCU-UHFFFAOYSA-N 1 2 388.471 3.589 20 30 GHEDLO N#Cc1cc(Cl)cc(C[N@H+]2Cc3cncn3C[C@H](COc3cccnc3)C2)c1 ZINC001237751576 1042353564 /nfs/dbraw/zinc/35/35/64/1042353564.db2.gz XGMWSDLNZHSBBZ-GOSISDBHSA-N 1 2 393.878 3.514 20 30 GHEDLO N#Cc1cc(Cl)cc(C[N@@H+]2Cc3cncn3C[C@H](COc3cccnc3)C2)c1 ZINC001237751576 1042353570 /nfs/dbraw/zinc/35/35/70/1042353570.db2.gz XGMWSDLNZHSBBZ-GOSISDBHSA-N 1 2 393.878 3.514 20 30 GHEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H](C)Cc1ccc(C(=O)OCC)cc1 ZINC001257148484 1043897947 /nfs/dbraw/zinc/89/79/47/1043897947.db2.gz KGOBOWQZMMYVOY-AVRDEDQJSA-N 1 2 395.499 3.724 20 30 GHEDLO Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[N@@H+]2CCC[C@H](CC#N)C2)cs1 ZINC001261640455 1046048535 /nfs/dbraw/zinc/04/85/35/1046048535.db2.gz GGINONPGVGCPQA-MRXNPFEDSA-N 1 2 380.517 3.633 20 30 GHEDLO Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[N@H+]2CCC[C@H](CC#N)C2)cs1 ZINC001261640455 1046048550 /nfs/dbraw/zinc/04/85/50/1046048550.db2.gz GGINONPGVGCPQA-MRXNPFEDSA-N 1 2 380.517 3.633 20 30 GHEDLO C=CCN(C)c1nnc(CC2CC2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001301305674 1046467431 /nfs/dbraw/zinc/46/74/31/1046467431.db2.gz KSGYWXZHZIXBQZ-UHFFFAOYSA-N 1 2 380.540 3.532 20 30 GHEDLO C=CCN(CC=C)c1nnc(CC(C)C)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001301406951 1046529999 /nfs/dbraw/zinc/52/99/99/1046529999.db2.gz ZKHQHZXQSILXNV-UHFFFAOYSA-N 1 2 380.540 3.699 20 30 GHEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@H]2CCC[C@H]21 ZINC001263302173 1046700110 /nfs/dbraw/zinc/70/01/10/1046700110.db2.gz IRURJYQHDWNYBA-UYAOXDASSA-N 1 2 382.556 3.716 20 30 GHEDLO C=C(C)Cn1c([C@@H](O)CCCCC)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001263348686 1046732039 /nfs/dbraw/zinc/73/20/39/1046732039.db2.gz AIBCAVMPLFWYAA-IBGZPJMESA-N 1 2 398.555 3.944 20 30 GHEDLO CC(C)Cn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@@](F)(C#N)C1 ZINC001263418068 1046801242 /nfs/dbraw/zinc/80/12/42/1046801242.db2.gz VBZUMUGMTRDZLH-LAUBAEHRSA-N 1 2 384.503 3.569 20 30 GHEDLO CC(C)Cn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@@](F)(C#N)C1 ZINC001263418068 1046801258 /nfs/dbraw/zinc/80/12/58/1046801258.db2.gz VBZUMUGMTRDZLH-LAUBAEHRSA-N 1 2 384.503 3.569 20 30 GHEDLO C=CCN(C)c1nnc([C@H]2CCC[N@@H+]2Cc2ccccc2)n1Cc1cc(C)on1 ZINC001263787700 1047124198 /nfs/dbraw/zinc/12/41/98/1047124198.db2.gz QEMRUVAMIKCNFU-HXUWFJFHSA-N 1 2 392.507 3.582 20 30 GHEDLO C=CCN(C)c1nnc([C@H]2CCC[N@H+]2Cc2ccccc2)n1Cc1cc(C)on1 ZINC001263787700 1047124203 /nfs/dbraw/zinc/12/42/03/1047124203.db2.gz QEMRUVAMIKCNFU-HXUWFJFHSA-N 1 2 392.507 3.582 20 30 GHEDLO Cn1cc(CN2C[C@H]3C[C@@H](C2)[N@H+](Cc2cccc(Cl)c2Cl)C3)cc1C#N ZINC001279201915 1047742027 /nfs/dbraw/zinc/74/20/27/1047742027.db2.gz PFGXDAIDNJETOY-QAPCUYQASA-N 1 2 389.330 3.910 20 30 GHEDLO Cn1cc(CN2C[C@H]3C[C@@H](C2)[N@@H+](Cc2cccc(Cl)c2Cl)C3)cc1C#N ZINC001279201915 1047742031 /nfs/dbraw/zinc/74/20/31/1047742031.db2.gz PFGXDAIDNJETOY-QAPCUYQASA-N 1 2 389.330 3.910 20 30 GHEDLO CCCCCCCCS(=O)(=O)N1CCCC2(C[NH+](Cc3ccc[nH]3)C2)C1 ZINC001279758105 1047943620 /nfs/dbraw/zinc/94/36/20/1047943620.db2.gz BKMCCOMQPIAVMM-UHFFFAOYSA-N 1 2 381.586 3.603 20 30 GHEDLO C#C[C@@H](C)N(C)c1nnc([C@H](C)CC)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001286275516 1048246787 /nfs/dbraw/zinc/24/67/87/1048246787.db2.gz SUYIIDXCKIRNEB-QZTJIDSGSA-N 1 2 376.508 3.543 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCCC=C)CC1 ZINC001286475411 1048336441 /nfs/dbraw/zinc/33/64/41/1048336441.db2.gz ZFSOHEBNNVXHAM-UHFFFAOYSA-N 1 2 383.927 3.710 20 30 GHEDLO C=C(C)CN(CC)c1nnc(COCC)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001286583521 1048377448 /nfs/dbraw/zinc/37/74/48/1048377448.db2.gz ONJCLMCSHBKTMF-UHFFFAOYSA-N 1 2 398.555 3.651 20 30 GHEDLO C=CC[C@@H](Cn1c(C(C)C)nnc1N(C)CC[NH+]1CCOCC1)c1ccccc1 ZINC001286677443 1048439061 /nfs/dbraw/zinc/43/90/61/1048439061.db2.gz BFRWZDQPBJMTGY-NRFANRHFSA-N 1 2 397.567 3.530 20 30 GHEDLO C=CCN(c1nnc(CC(C)C)n1Cc1cccc(Cn2cc[nH+]c2)c1)C1CC1 ZINC001286735669 1048494755 /nfs/dbraw/zinc/49/47/55/1048494755.db2.gz JDADKZMBUNOAGQ-UHFFFAOYSA-N 1 2 390.535 3.925 20 30 GHEDLO CC(C)(C)OC(=O)C[NH+]1CCC(Nc2c(Br)cccc2C#N)CC1 ZINC001307189193 1049127923 /nfs/dbraw/zinc/12/79/23/1049127923.db2.gz YEQVUMVQTLAEPE-UHFFFAOYSA-N 1 2 394.313 3.539 20 30 GHEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC001307494455 1049334767 /nfs/dbraw/zinc/33/47/67/1049334767.db2.gz HTAOUQVKADASGR-HNNXBMFYSA-N 1 2 384.867 3.999 20 30 GHEDLO Cc1ccc2c(c1Br)C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)C2 ZINC001307955457 1049720671 /nfs/dbraw/zinc/72/06/71/1049720671.db2.gz SSLDCSJHKHLRFJ-UHFFFAOYSA-N 1 2 384.277 3.974 20 30 GHEDLO Cc1ccc2c(c1Br)C[N@H+](CCC(=O)Nc1cccc(C#N)c1)C2 ZINC001307955457 1049720676 /nfs/dbraw/zinc/72/06/76/1049720676.db2.gz SSLDCSJHKHLRFJ-UHFFFAOYSA-N 1 2 384.277 3.974 20 30 GHEDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC001307987493 1049741622 /nfs/dbraw/zinc/74/16/22/1049741622.db2.gz NPZZVFSBTIIRGW-DOMZBBRYSA-N 1 2 381.423 3.647 20 30 GHEDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC001307987493 1049741633 /nfs/dbraw/zinc/74/16/33/1049741633.db2.gz NPZZVFSBTIIRGW-DOMZBBRYSA-N 1 2 381.423 3.647 20 30 GHEDLO Cc1cn2c([nH+]1)[C@@H](Cn1c(-c3ccccc3)nnc1N(C)[C@H](C)CC#N)CCC2 ZINC001290288094 1049791662 /nfs/dbraw/zinc/79/16/62/1049791662.db2.gz WQQOLXBNSWNINK-IEBWSBKVSA-N 1 2 389.507 3.766 20 30 GHEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C2(c3ccc(C#N)cc3)CCCC2)C1 ZINC001328903126 1050670263 /nfs/dbraw/zinc/67/02/63/1050670263.db2.gz IVDHHJHYYMWNLN-LJQANCHMSA-N 1 2 376.504 3.585 20 30 GHEDLO C#C[C@@H](NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccc(Cl)cc1F ZINC001330715342 1051081336 /nfs/dbraw/zinc/08/13/36/1051081336.db2.gz MHBZLEDNZWGWML-KBXCAEBGSA-N 1 2 388.874 3.551 20 30 GHEDLO CN(CCC#N)c1ccc(C[NH2+][C@@H](c2nccn2C)c2ccc(F)c(F)c2)cc1 ZINC001333895938 1051864921 /nfs/dbraw/zinc/86/49/21/1051864921.db2.gz QDHUPHYVYYCQJS-OAQYLSRUSA-N 1 2 395.457 3.927 20 30 GHEDLO N#Cc1ccc(CNC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1Cl ZINC001312583866 1052799751 /nfs/dbraw/zinc/79/97/51/1052799751.db2.gz ZPYMSNOJPKJWOX-IBGZPJMESA-N 1 2 379.851 3.649 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCc2ccccc2[C@H]1C ZINC001342306303 1053093614 /nfs/dbraw/zinc/09/36/14/1053093614.db2.gz NQFSOVJRRXMNBF-GOSISDBHSA-N 1 2 390.535 3.681 20 30 GHEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)Cc1ccsc1 ZINC001343458227 1053783898 /nfs/dbraw/zinc/78/38/98/1053783898.db2.gz AMELWIUYPXAEIQ-UHFFFAOYSA-N 1 2 384.553 3.645 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[C@]2(C1)OCc1ccccc12 ZINC001343768994 1054011624 /nfs/dbraw/zinc/01/16/24/1054011624.db2.gz TXFBFKICXRFXMB-NFBKMPQASA-N 1 2 393.535 3.647 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[C@]2(C1)OCc1ccccc12 ZINC001343768994 1054011632 /nfs/dbraw/zinc/01/16/32/1054011632.db2.gz TXFBFKICXRFXMB-NFBKMPQASA-N 1 2 393.535 3.647 20 30 GHEDLO C=C(C)Cn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1Cc2ccccc2[C@@H]1C ZINC001343956768 1054142226 /nfs/dbraw/zinc/14/22/26/1054142226.db2.gz GKMVYWNTRNXRRX-PXNSSMCTSA-N 1 2 381.524 3.717 20 30 GHEDLO C=C(C)Cn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1Cc2ccccc2[C@@H]1C ZINC001343956768 1054142242 /nfs/dbraw/zinc/14/22/42/1054142242.db2.gz GKMVYWNTRNXRRX-PXNSSMCTSA-N 1 2 381.524 3.717 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(O)(Cc3ccccc3F)CC2)c1C ZINC001343978280 1054156380 /nfs/dbraw/zinc/15/63/80/1054156380.db2.gz JTFXOMHVYZDKDT-UHFFFAOYSA-N 1 2 384.495 3.682 20 30 GHEDLO N#CCOc1ccc(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1 ZINC001319335070 1055188766 /nfs/dbraw/zinc/18/87/66/1055188766.db2.gz CDGNJJDTFOBKQY-LEWJYISDSA-N 1 2 387.443 3.836 20 30 GHEDLO C=CCO[C@H]1CC[N@H+](CC(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)C1 ZINC001320321617 1055752756 /nfs/dbraw/zinc/75/27/56/1055752756.db2.gz NZXQESHYPNPKBN-AWEZNQCLSA-N 1 2 382.489 3.507 20 30 GHEDLO C=CCO[C@H]1CC[N@@H+](CC(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)C1 ZINC001320321617 1055752765 /nfs/dbraw/zinc/75/27/65/1055752765.db2.gz NZXQESHYPNPKBN-AWEZNQCLSA-N 1 2 382.489 3.507 20 30 GHEDLO FC(F)(F)c1cc(Br)ccc1C=NNCCCn1cc[nH+]c1 ZINC000848417303 1057075012 /nfs/dbraw/zinc/07/50/12/1057075012.db2.gz TXWXOAGVQPQMTQ-UHFFFAOYSA-N 1 2 375.192 3.678 20 30 GHEDLO C[C@H](c1ccc(Cl)cc1)N(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001355480746 1057178871 /nfs/dbraw/zinc/17/88/71/1057178871.db2.gz QAOUYTIYUBVBQC-OAHLLOKOSA-N 1 2 386.931 3.759 20 30 GHEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC(c2ncc(C)s2)CC1 ZINC001355942498 1057326849 /nfs/dbraw/zinc/32/68/49/1057326849.db2.gz VRGTXFFHDQKELG-UHFFFAOYSA-N 1 2 386.569 3.599 20 30 GHEDLO N#Cc1cccc2c1CCCN2C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC001326332781 1057458357 /nfs/dbraw/zinc/45/83/57/1057458357.db2.gz IXIPKGGKPWRHKL-OAQYLSRUSA-N 1 2 377.513 3.628 20 30 GHEDLO C=CCn1c([C@H]2C[C@H]2OC(C)(C)C)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001339139690 1058978387 /nfs/dbraw/zinc/97/83/87/1058978387.db2.gz IYRQJLXUGSZHST-ZWKOTPCHSA-N 1 2 396.539 3.611 20 30 GHEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N(C)C[C@@H]1CCCOC1 ZINC001339773830 1059459172 /nfs/dbraw/zinc/45/91/72/1059459172.db2.gz FYXLAGATWAFYEH-QUCCMNQESA-N 1 2 383.540 3.520 20 30 GHEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N(C)C[C@@H]1CCCOC1 ZINC001339773830 1059459180 /nfs/dbraw/zinc/45/91/80/1059459180.db2.gz FYXLAGATWAFYEH-QUCCMNQESA-N 1 2 383.540 3.520 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC=C(C(C)(C)C)CC1 ZINC001339776965 1059462782 /nfs/dbraw/zinc/46/27/82/1059462782.db2.gz JNWDFSRCUIJVBJ-UHFFFAOYSA-N 1 2 382.556 3.740 20 30 GHEDLO C=CCn1c([C@@H]2CCCC2(F)F)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001340505831 1059954826 /nfs/dbraw/zinc/95/48/26/1059954826.db2.gz JAUMSHQXUGFSDF-INIZCTEOSA-N 1 2 388.466 3.843 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1Cc2cccc(OC)c2C1 ZINC001340515765 1059958816 /nfs/dbraw/zinc/95/88/16/1059958816.db2.gz FGDLHNGVXGOMMM-LJQANCHMSA-N 1 2 392.507 3.825 20 30 GHEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CC[C@H](c2ccccc2)[C@H]1C ZINC001341756305 1060864987 /nfs/dbraw/zinc/86/49/87/1060864987.db2.gz RORIGOLDGRHQNC-MJGOQNOKSA-N 1 2 376.508 3.561 20 30 GHEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1Cc2cccc(Cl)c2C1 ZINC001342013274 1060995942 /nfs/dbraw/zinc/99/59/42/1060995942.db2.gz XMEACNWTIOBXTK-LPHOPBHVSA-N 1 2 399.926 3.564 20 30 GHEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1Cc2cccc(Cl)c2C1 ZINC001342013274 1060995946 /nfs/dbraw/zinc/99/59/46/1060995946.db2.gz XMEACNWTIOBXTK-LPHOPBHVSA-N 1 2 399.926 3.564 20 30 GHEDLO C=CCC1(O)CCN(c2nnc([C@@H](CC(C)C)n3cc[nH+]c3)n2CC(=C)C)CC1 ZINC001342032011 1061008602 /nfs/dbraw/zinc/00/86/02/1061008602.db2.gz AWJLZQGHAZQUIG-LJQANCHMSA-N 1 2 398.555 3.594 20 30 GHEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C ZINC001345994723 1061270783 /nfs/dbraw/zinc/27/07/83/1061270783.db2.gz VGORZKDJFDCSFJ-AWEZNQCLSA-N 1 2 398.461 3.580 20 30 GHEDLO C[N@@H+]1CCC[C@H]1c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CC1CC1 ZINC001346601355 1061719785 /nfs/dbraw/zinc/71/97/85/1061719785.db2.gz CSIYIPOKPBWDMI-NRFANRHFSA-N 1 2 388.519 3.620 20 30 GHEDLO C[N@H+]1CCC[C@H]1c1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CC1CC1 ZINC001346601355 1061719800 /nfs/dbraw/zinc/71/98/00/1061719800.db2.gz CSIYIPOKPBWDMI-NRFANRHFSA-N 1 2 388.519 3.620 20 30 GHEDLO CC(C)[C@H]1CCCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CC2CC2)C1 ZINC001346602910 1061722110 /nfs/dbraw/zinc/72/21/10/1061722110.db2.gz RUMVQGZFMLSCGQ-FQEVSTJZSA-N 1 2 384.572 3.654 20 30 GHEDLO C#Cc1cccc(CNC(=O)[C@H](c2cccc(Br)c2)[NH+]2CCCC2)c1 ZINC001436733194 1063629151 /nfs/dbraw/zinc/62/91/51/1063629151.db2.gz LJFZONRIWBEVAJ-FQEVSTJZSA-N 1 2 397.316 3.884 20 30 GHEDLO C=CC1(CC(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CCCCC1 ZINC001464485856 1065039746 /nfs/dbraw/zinc/03/97/46/1065039746.db2.gz KBCFEKFKALZRRA-UHFFFAOYSA-N 1 2 386.536 3.540 20 30 GHEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001465437482 1065612009 /nfs/dbraw/zinc/61/20/09/1065612009.db2.gz FFHKWUQICUNRPT-QGZVFWFLSA-N 1 2 394.475 3.535 20 30 GHEDLO N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)c2)nc1 ZINC001465730271 1065816195 /nfs/dbraw/zinc/81/61/95/1065816195.db2.gz OBAKXPBBYLTHGA-MRXNPFEDSA-N 1 2 388.431 3.880 20 30 GHEDLO CC(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCc2sccc2C1 ZINC001358097995 1067397136 /nfs/dbraw/zinc/39/71/36/1067397136.db2.gz YQRJBCIOSBCASL-UHFFFAOYSA-N 1 2 398.580 3.651 20 30 GHEDLO C#CCCCCn1c(C2CC2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001358911458 1067609669 /nfs/dbraw/zinc/60/96/69/1067609669.db2.gz UPLBALHTGLZKCL-UHFFFAOYSA-N 1 2 397.954 3.935 20 30 GHEDLO C=C[C@](C)(O)CC(=O)N1CC[N@@H+](Cc2ccc(Cl)cc2)C[C@H]1CC(C)C ZINC001468462796 1067739830 /nfs/dbraw/zinc/73/98/30/1067739830.db2.gz RXMSJLCWTANXIP-CTNGQTDRSA-N 1 2 378.944 3.726 20 30 GHEDLO C=C[C@](C)(O)CC(=O)N1CC[N@H+](Cc2ccc(Cl)cc2)C[C@H]1CC(C)C ZINC001468462796 1067739834 /nfs/dbraw/zinc/73/98/34/1067739834.db2.gz RXMSJLCWTANXIP-CTNGQTDRSA-N 1 2 378.944 3.726 20 30 GHEDLO C[C@H](C#N)CN(C)c1nnc(C2CCC2)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001359472271 1068068285 /nfs/dbraw/zinc/06/82/85/1068068285.db2.gz IXNFICBCZKWJSG-QGZVFWFLSA-N 1 2 393.539 3.575 20 30 GHEDLO CC(C)[C@H](CNC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1)c1ccccc1 ZINC001460565285 1068998012 /nfs/dbraw/zinc/99/80/12/1068998012.db2.gz DUQNTSCLFFWEFK-QHCPKHFHSA-N 1 2 375.516 3.667 20 30 GHEDLO CC(C)[C@H](CNC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1)c1ccccc1 ZINC001460565285 1068998013 /nfs/dbraw/zinc/99/80/13/1068998013.db2.gz DUQNTSCLFFWEFK-QHCPKHFHSA-N 1 2 375.516 3.667 20 30 GHEDLO C#C[C@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)c1ccc(Cl)cc1 ZINC001460792514 1069182389 /nfs/dbraw/zinc/18/23/89/1069182389.db2.gz PHCWBYILPXSKQL-VQTJNVASSA-N 1 2 384.932 3.921 20 30 GHEDLO C#CC[N@@H+](CC(=O)Nc1ccc(C(=O)OCC)cc1)[C@H]1CCCc2ccccc21 ZINC001460835173 1069210384 /nfs/dbraw/zinc/21/03/84/1069210384.db2.gz JHLCUMZGDDIGCN-QFIPXVFZSA-N 1 2 390.483 3.815 20 30 GHEDLO C#CC[N@H+](CC(=O)Nc1ccc(C(=O)OCC)cc1)[C@H]1CCCc2ccccc21 ZINC001460835173 1069210389 /nfs/dbraw/zinc/21/03/89/1069210389.db2.gz JHLCUMZGDDIGCN-QFIPXVFZSA-N 1 2 390.483 3.815 20 30 GHEDLO C#C[C@@H](NC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccc(F)cc1 ZINC001478893550 1079017530 /nfs/dbraw/zinc/01/75/30/1079017530.db2.gz ISTXVLJBTRSBFS-MECCDNJOSA-N 1 2 377.463 3.541 20 30 GHEDLO CC[C@@H](c1ccc(F)cc1F)N1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC001473164912 1073823082 /nfs/dbraw/zinc/82/30/82/1073823082.db2.gz ZUAYPSHCHXTWPM-NRFANRHFSA-N 1 2 385.458 3.984 20 30 GHEDLO Cc1ccc(CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1C#N ZINC001479276114 1079170929 /nfs/dbraw/zinc/17/09/29/1079170929.db2.gz NEWCZRIPLWDYHV-FCHUYYIVSA-N 1 2 385.471 3.791 20 30 GHEDLO N#Cc1cc(Cl)cc(C[N@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)c1 ZINC001473218745 1073867330 /nfs/dbraw/zinc/86/73/30/1073867330.db2.gz WIPQKNBNENTBAU-UHFFFAOYSA-N 1 2 385.870 3.628 20 30 GHEDLO N#Cc1cc(Cl)cc(C[N@@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)c1 ZINC001473218745 1073867339 /nfs/dbraw/zinc/86/73/39/1073867339.db2.gz WIPQKNBNENTBAU-UHFFFAOYSA-N 1 2 385.870 3.628 20 30 GHEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)Cc1ccccc1OCc1ccccc1 ZINC001473712414 1074101953 /nfs/dbraw/zinc/10/19/53/1074101953.db2.gz BHPAVOJKASWYGF-LJQANCHMSA-N 1 2 379.504 3.706 20 30 GHEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)Cc1ccccc1OCc1ccccc1 ZINC001473712414 1074101956 /nfs/dbraw/zinc/10/19/56/1074101956.db2.gz BHPAVOJKASWYGF-LJQANCHMSA-N 1 2 379.504 3.706 20 30 GHEDLO CN(C)c1nc2c(s1)C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CC2 ZINC001473763463 1074129634 /nfs/dbraw/zinc/12/96/34/1074129634.db2.gz AOZIDQFFQPMPNA-UHFFFAOYSA-N 1 2 381.423 3.518 20 30 GHEDLO CN(C)c1nc2c(s1)C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CC2 ZINC001473763463 1074129639 /nfs/dbraw/zinc/12/96/39/1074129639.db2.gz AOZIDQFFQPMPNA-UHFFFAOYSA-N 1 2 381.423 3.518 20 30 GHEDLO CCCCCCCCn1nc(C)c(S(=O)(=O)N2CC[N@H+](CC)C[C@H]2C)c1C ZINC001475288372 1074823517 /nfs/dbraw/zinc/82/35/17/1074823517.db2.gz WWVJPHZJJBHFHV-QGZVFWFLSA-N 1 2 398.617 3.575 20 30 GHEDLO CCCCCCCCn1nc(C)c(S(=O)(=O)N2CC[N@@H+](CC)C[C@H]2C)c1C ZINC001475288372 1074823521 /nfs/dbraw/zinc/82/35/21/1074823521.db2.gz WWVJPHZJJBHFHV-QGZVFWFLSA-N 1 2 398.617 3.575 20 30 GHEDLO Fc1ccc(C[NH+]2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1-c1nn[nH]n1 ZINC000822766469 606966804 /nfs/dbraw/zinc/96/68/04/606966804.db2.gz KANFYBYMSRTHQA-NXEZZACHSA-N 1 2 397.298 3.569 20 30 GHEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)Nc2nc3c(s2)CCCC3(C)C)CCO1 ZINC000329443222 835049506 /nfs/dbraw/zinc/04/95/06/835049506.db2.gz BUZXTPFOJYBSPE-JSGCOSHPSA-N 1 2 389.525 3.737 20 30 GHEDLO COc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3C#N)CC2)cc1 ZINC000480560485 835057713 /nfs/dbraw/zinc/05/77/13/835057713.db2.gz WTDQRBCTOYMNMH-UHFFFAOYSA-N 1 2 397.906 3.749 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@](C)(C#N)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000612152448 835685496 /nfs/dbraw/zinc/68/54/96/835685496.db2.gz ASRBPNOGCVMZRI-QRFRQXIXSA-N 1 2 394.441 3.574 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@](C)(C#N)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000612152448 835685499 /nfs/dbraw/zinc/68/54/99/835685499.db2.gz ASRBPNOGCVMZRI-QRFRQXIXSA-N 1 2 394.441 3.574 20 30 GHEDLO COc1cc(C#N)ccc1NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000548879898 835760613 /nfs/dbraw/zinc/76/06/13/835760613.db2.gz XXCXDNBOYNQFIN-INIZCTEOSA-N 1 2 379.464 3.511 20 30 GHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](C)[C@@H](C)c2ccncc2)c1C#N ZINC000179666701 835931983 /nfs/dbraw/zinc/93/19/83/835931983.db2.gz JTYVFETUQQVDGI-SFHVURJKSA-N 1 2 387.487 3.992 20 30 GHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](C)[C@@H](C)c2ccncc2)c1C#N ZINC000179666701 835931990 /nfs/dbraw/zinc/93/19/90/835931990.db2.gz JTYVFETUQQVDGI-SFHVURJKSA-N 1 2 387.487 3.992 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@H+]2C[C@H](CC)O[C@@]3(CCOC3)C2)cc1OC ZINC000628256148 836221485 /nfs/dbraw/zinc/22/14/85/836221485.db2.gz LBOYDCSBXCEVJE-JXFKEZNVSA-N 1 2 381.900 3.683 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@@H+]2C[C@H](CC)O[C@@]3(CCOC3)C2)cc1OC ZINC000628256148 836221493 /nfs/dbraw/zinc/22/14/93/836221493.db2.gz LBOYDCSBXCEVJE-JXFKEZNVSA-N 1 2 381.900 3.683 20 30 GHEDLO Cn1cc(C[N@H+](C)Cc2nc3c(s2)CCCC3)c(-c2ccc(C#N)cc2)n1 ZINC000180139116 836302949 /nfs/dbraw/zinc/30/29/49/836302949.db2.gz WYBUQWHJCXGFIS-UHFFFAOYSA-N 1 2 377.517 3.926 20 30 GHEDLO Cn1cc(C[N@@H+](C)Cc2nc3c(s2)CCCC3)c(-c2ccc(C#N)cc2)n1 ZINC000180139116 836302961 /nfs/dbraw/zinc/30/29/61/836302961.db2.gz WYBUQWHJCXGFIS-UHFFFAOYSA-N 1 2 377.517 3.926 20 30 GHEDLO CC(C)(C)c1ccc(C#N)c(N2CC[NH+]([C@@H](CO)c3ccc(Cl)cc3)CC2)n1 ZINC000613424140 836366836 /nfs/dbraw/zinc/36/68/36/836366836.db2.gz ZVXGOJDEEPMKJF-IBGZPJMESA-N 1 2 398.938 3.760 20 30 GHEDLO N#Cc1ccc(Oc2nc(Cl)ncc2N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC001167129479 836495643 /nfs/dbraw/zinc/49/56/43/836495643.db2.gz LYSAPEJHRFFYAT-UHFFFAOYSA-N 1 2 380.839 3.832 20 30 GHEDLO CC[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc(OC)c(OC)c1 ZINC000510216310 836803725 /nfs/dbraw/zinc/80/37/25/836803725.db2.gz WJADMLALUGDNRG-KRWDZBQOSA-N 1 2 378.432 3.866 20 30 GHEDLO C=CCCC(C)(C)NC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000658976819 837081058 /nfs/dbraw/zinc/08/10/58/837081058.db2.gz JPRUHSUWGYZWEH-UHFFFAOYSA-N 1 2 380.492 3.686 20 30 GHEDLO CCOC(=O)C[N@H+](Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1)C(C)C ZINC001167267307 837111361 /nfs/dbraw/zinc/11/13/61/837111361.db2.gz BMYWEXLCBOQRBG-UHFFFAOYSA-N 1 2 396.487 3.919 20 30 GHEDLO CCOC(=O)C[N@@H+](Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1)C(C)C ZINC001167267307 837111364 /nfs/dbraw/zinc/11/13/64/837111364.db2.gz BMYWEXLCBOQRBG-UHFFFAOYSA-N 1 2 396.487 3.919 20 30 GHEDLO Cc1c(C#N)cccc1NC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000431744330 837282120 /nfs/dbraw/zinc/28/21/20/837282120.db2.gz MDMXYCGCVBLLKJ-INIZCTEOSA-N 1 2 384.430 3.931 20 30 GHEDLO Cc1c(C#N)cccc1NC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000431744330 837282125 /nfs/dbraw/zinc/28/21/25/837282125.db2.gz MDMXYCGCVBLLKJ-INIZCTEOSA-N 1 2 384.430 3.931 20 30 GHEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)C1=O ZINC000580456370 837361414 /nfs/dbraw/zinc/36/14/14/837361414.db2.gz XQMKSGFXEHEIGJ-SJORKVTESA-N 1 2 387.892 3.532 20 30 GHEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)C1=O ZINC000580456370 837361426 /nfs/dbraw/zinc/36/14/26/837361426.db2.gz XQMKSGFXEHEIGJ-SJORKVTESA-N 1 2 387.892 3.532 20 30 GHEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)C1=O ZINC000580456367 837361765 /nfs/dbraw/zinc/36/17/65/837361765.db2.gz XQMKSGFXEHEIGJ-DLBZAZTESA-N 1 2 387.892 3.532 20 30 GHEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)C1=O ZINC000580456367 837361777 /nfs/dbraw/zinc/36/17/77/837361777.db2.gz XQMKSGFXEHEIGJ-DLBZAZTESA-N 1 2 387.892 3.532 20 30 GHEDLO Cc1cccc(NC2CC[NH+]([C@H]3CCN(c4sccc4C#N)C3=O)CC2)c1 ZINC000177126393 837870575 /nfs/dbraw/zinc/87/05/75/837870575.db2.gz VIACRNYFZYLJKM-IBGZPJMESA-N 1 2 380.517 3.610 20 30 GHEDLO N#Cc1ccccc1N1CCCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000579948830 837979138 /nfs/dbraw/zinc/97/91/38/837979138.db2.gz BLJDINNLRWROEG-NRFANRHFSA-N 1 2 399.498 3.542 20 30 GHEDLO CCOCc1cc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)ccc1OC ZINC000178868163 838483401 /nfs/dbraw/zinc/48/34/01/838483401.db2.gz JFLRMKXQJPVUKZ-QFIPXVFZSA-N 1 2 379.504 3.614 20 30 GHEDLO N#Cc1csc(CNC2CC[NH+](Cc3cccc(Br)c3)CC2)n1 ZINC000414594066 838653303 /nfs/dbraw/zinc/65/33/03/838653303.db2.gz WPZFCIUHVUZDAG-UHFFFAOYSA-N 1 2 391.338 3.531 20 30 GHEDLO CCOC(=O)c1ccc2c(c1)nc(C[N@H+](C)Cc1ccc(C#N)cc1)n2CC ZINC000472750498 839398785 /nfs/dbraw/zinc/39/87/85/839398785.db2.gz KUOCAKFQIIQMSS-UHFFFAOYSA-N 1 2 376.460 3.737 20 30 GHEDLO CCOC(=O)c1ccc2c(c1)nc(C[N@@H+](C)Cc1ccc(C#N)cc1)n2CC ZINC000472750498 839398798 /nfs/dbraw/zinc/39/87/98/839398798.db2.gz KUOCAKFQIIQMSS-UHFFFAOYSA-N 1 2 376.460 3.737 20 30 GHEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C[C@H](C)O1 ZINC000580628554 839920633 /nfs/dbraw/zinc/92/06/33/839920633.db2.gz DRVHRZIBMMTKJN-KLDKWKSESA-N 1 2 389.499 3.910 20 30 GHEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000053715247 840323038 /nfs/dbraw/zinc/32/30/38/840323038.db2.gz FZTRMBPLJHIHLK-WMLDXEAASA-N 1 2 378.314 3.594 20 30 GHEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000053715247 840323053 /nfs/dbraw/zinc/32/30/53/840323053.db2.gz FZTRMBPLJHIHLK-WMLDXEAASA-N 1 2 378.314 3.594 20 30 GHEDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2cc3ccccc3n2CC#N)CC1 ZINC000610490227 840959792 /nfs/dbraw/zinc/95/97/92/840959792.db2.gz ZZGYKHCGAMIXMJ-KRWDZBQOSA-N 1 2 390.462 3.823 20 30 GHEDLO C=CC[N@H+](CC(=O)Nc1ccc(Br)cc1Cl)[C@H](C)COC ZINC000661243309 841562000 /nfs/dbraw/zinc/56/20/00/841562000.db2.gz JANCNOKBOPYRTH-LLVKDONJSA-N 1 2 375.694 3.564 20 30 GHEDLO C=CC[N@@H+](CC(=O)Nc1ccc(Br)cc1Cl)[C@H](C)COC ZINC000661243309 841562010 /nfs/dbraw/zinc/56/20/10/841562010.db2.gz JANCNOKBOPYRTH-LLVKDONJSA-N 1 2 375.694 3.564 20 30 GHEDLO CC(C)c1ccc(CCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000046904894 841910012 /nfs/dbraw/zinc/91/00/12/841910012.db2.gz JEQZYMIBLWPQTR-UHFFFAOYSA-N 1 2 375.516 3.959 20 30 GHEDLO CC[C@H](C)c1ccc(S(=O)(=O)N2CC[NH+](CCCC(C)(C)C#N)CC2)cc1 ZINC000471700598 842188673 /nfs/dbraw/zinc/18/86/73/842188673.db2.gz KZJMCTKIFPQOSZ-SFHVURJKSA-N 1 2 391.581 3.836 20 30 GHEDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1Cl ZINC000054064400 842253830 /nfs/dbraw/zinc/25/38/30/842253830.db2.gz AETFQQAKYXUNJL-INIZCTEOSA-N 1 2 382.895 3.800 20 30 GHEDLO N#CCOc1cccc(NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000279127379 842622335 /nfs/dbraw/zinc/62/23/35/842622335.db2.gz QRQNCONRWJXHAH-UHFFFAOYSA-N 1 2 379.464 3.533 20 30 GHEDLO C=CCn1c(SCC[N@H+]2CCOC[C@H]2C)nnc1-c1ccc(Cl)cc1 ZINC000188246614 842847274 /nfs/dbraw/zinc/84/72/74/842847274.db2.gz VKBKWYUOJCQEHE-CQSZACIVSA-N 1 2 378.929 3.597 20 30 GHEDLO C=CCn1c(SCC[N@@H+]2CCOC[C@H]2C)nnc1-c1ccc(Cl)cc1 ZINC000188246614 842847280 /nfs/dbraw/zinc/84/72/80/842847280.db2.gz VKBKWYUOJCQEHE-CQSZACIVSA-N 1 2 378.929 3.597 20 30 GHEDLO CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1cc(Br)ccc1C#N ZINC001141904915 861353465 /nfs/dbraw/zinc/35/34/65/861353465.db2.gz IXTDWUFUCMCVEH-UHFFFAOYSA-N 1 2 382.302 3.667 20 30 GHEDLO CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cc(Br)ccc1C#N ZINC001141904915 861353487 /nfs/dbraw/zinc/35/34/87/861353487.db2.gz IXTDWUFUCMCVEH-UHFFFAOYSA-N 1 2 382.302 3.667 20 30 GHEDLO CCN(C(=O)c1ccc(C#N)o1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001126332883 843072251 /nfs/dbraw/zinc/07/22/51/843072251.db2.gz FBSYSTICHXXFCZ-UHFFFAOYSA-N 1 2 381.480 3.504 20 30 GHEDLO C=C[C@@H](CC(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1)c1ccccc1 ZINC000186627750 843126574 /nfs/dbraw/zinc/12/65/74/843126574.db2.gz MODGAHSIOQGFPQ-FQEVSTJZSA-N 1 2 391.515 3.649 20 30 GHEDLO COc1ccc(-c2cc(C[NH+]3CCN([C@H](C#N)c4ccccc4)CC3)on2)cc1 ZINC000610675727 843508666 /nfs/dbraw/zinc/50/86/66/843508666.db2.gz MANGTLHVFKWBJQ-HSZRJFAPSA-N 1 2 388.471 3.733 20 30 GHEDLO N#Cc1cscc1C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000432713427 843572493 /nfs/dbraw/zinc/57/24/93/843572493.db2.gz IRMHXJZRVVOZSB-MRXNPFEDSA-N 1 2 377.872 3.979 20 30 GHEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl ZINC000500589426 843675279 /nfs/dbraw/zinc/67/52/79/843675279.db2.gz XTLXBMYMBTZOHF-XJKCOSOUSA-N 1 2 389.286 3.842 20 30 GHEDLO C[C@H](C#N)CN(C)Cc1cc(Br)ccc1C[N@H+](C)C[C@H](C)C#N ZINC000432944201 844682319 /nfs/dbraw/zinc/68/23/19/844682319.db2.gz QQXQRTIWCOJLFQ-HUUCEWRRSA-N 1 2 377.330 3.632 20 30 GHEDLO C[C@H](C#N)CN(C)Cc1cc(Br)ccc1C[N@@H+](C)C[C@H](C)C#N ZINC000432944201 844682325 /nfs/dbraw/zinc/68/23/25/844682325.db2.gz QQXQRTIWCOJLFQ-HUUCEWRRSA-N 1 2 377.330 3.632 20 30 GHEDLO C=CC[N@@H+](Cc1cccc(C(N)=O)c1)Cc1cc(Br)ccc1F ZINC000512634946 844844262 /nfs/dbraw/zinc/84/42/62/844844262.db2.gz VRUPDBRBPUMQID-UHFFFAOYSA-N 1 2 377.257 3.875 20 30 GHEDLO C=CC[N@H+](Cc1cccc(C(N)=O)c1)Cc1cc(Br)ccc1F ZINC000512634946 844844266 /nfs/dbraw/zinc/84/42/66/844844266.db2.gz VRUPDBRBPUMQID-UHFFFAOYSA-N 1 2 377.257 3.875 20 30 GHEDLO N#Cc1cccc(NC(=O)CC[N@H+]2CCc3sc(Br)cc3C2)c1 ZINC000610928676 844861853 /nfs/dbraw/zinc/86/18/53/844861853.db2.gz ZHXWKHHEKQYTFN-UHFFFAOYSA-N 1 2 390.306 3.769 20 30 GHEDLO N#Cc1cccc(NC(=O)CC[N@@H+]2CCc3sc(Br)cc3C2)c1 ZINC000610928676 844861865 /nfs/dbraw/zinc/86/18/65/844861865.db2.gz ZHXWKHHEKQYTFN-UHFFFAOYSA-N 1 2 390.306 3.769 20 30 GHEDLO C[C@H]([NH2+]Cc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccc(C#N)cc1F ZINC000512653064 844900830 /nfs/dbraw/zinc/90/08/30/844900830.db2.gz CNIBQKOIQQFQEK-AWEZNQCLSA-N 1 2 389.496 3.625 20 30 GHEDLO O=C(Nc1ncc(C2CCCCC2)s1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000329486963 861519716 /nfs/dbraw/zinc/51/97/16/861519716.db2.gz XRCLMJQQDKIRAR-MRXNPFEDSA-N 1 2 378.542 3.533 20 30 GHEDLO COc1ccc([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)cc1F ZINC000599679688 861520454 /nfs/dbraw/zinc/52/04/54/861520454.db2.gz NQGJMANRAOKNAV-CJNGLKHVSA-N 1 2 385.439 3.732 20 30 GHEDLO COc1ccc([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)cc1F ZINC000599679688 861520466 /nfs/dbraw/zinc/52/04/66/861520466.db2.gz NQGJMANRAOKNAV-CJNGLKHVSA-N 1 2 385.439 3.732 20 30 GHEDLO N#CCc1cccc2c1CC[N@@H+](CC(=O)N(Cc1ccco1)c1ccccc1)C2 ZINC000599686034 861526905 /nfs/dbraw/zinc/52/69/05/861526905.db2.gz MGACOTZBPLGFPH-UHFFFAOYSA-N 1 2 385.467 3.937 20 30 GHEDLO N#CCc1cccc2c1CC[N@H+](CC(=O)N(Cc1ccco1)c1ccccc1)C2 ZINC000599686034 861526914 /nfs/dbraw/zinc/52/69/14/861526914.db2.gz MGACOTZBPLGFPH-UHFFFAOYSA-N 1 2 385.467 3.937 20 30 GHEDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3ccc(COc4ccc(C#N)cc4)o3)n2)C1 ZINC000500893306 845572717 /nfs/dbraw/zinc/57/27/17/845572717.db2.gz OIPMIFFLHXOVSH-LJQANCHMSA-N 1 2 394.431 3.562 20 30 GHEDLO CC(C)[N@H+]1CCO[C@@H](c2noc(-c3ccc(COc4ccc(C#N)cc4)o3)n2)C1 ZINC000500893306 845572729 /nfs/dbraw/zinc/57/27/29/845572729.db2.gz OIPMIFFLHXOVSH-LJQANCHMSA-N 1 2 394.431 3.562 20 30 GHEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H]2CCc3nc(C(C)(C)C)cn3C2)c1 ZINC000329535577 861607039 /nfs/dbraw/zinc/60/70/39/861607039.db2.gz ZNRGQTUIQPEPQI-INIZCTEOSA-N 1 2 377.492 3.994 20 30 GHEDLO CSc1ccc(CCCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000582064326 846196224 /nfs/dbraw/zinc/19/62/24/846196224.db2.gz BTPDHGDCBYFCCT-UHFFFAOYSA-N 1 2 393.556 3.947 20 30 GHEDLO N#CC1(CNC(=O)N(CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)CC1 ZINC000555716142 861670926 /nfs/dbraw/zinc/67/09/26/861670926.db2.gz XFIZNWJNVLNWJY-UHFFFAOYSA-N 1 2 389.862 3.581 20 30 GHEDLO C=C(C)COc1cccc(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000072093591 846410572 /nfs/dbraw/zinc/41/05/72/846410572.db2.gz YVHZURMPFSWTLO-JOCHJYFZSA-N 1 2 395.503 3.664 20 30 GHEDLO C=C(C)COc1cccc(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000072093591 846410576 /nfs/dbraw/zinc/41/05/76/846410576.db2.gz YVHZURMPFSWTLO-JOCHJYFZSA-N 1 2 395.503 3.664 20 30 GHEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000473536181 846504809 /nfs/dbraw/zinc/50/48/09/846504809.db2.gz YFWYLOXHLSNYDT-XLIONFOSSA-N 1 2 382.907 3.789 20 30 GHEDLO C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000473536181 846504817 /nfs/dbraw/zinc/50/48/17/846504817.db2.gz YFWYLOXHLSNYDT-XLIONFOSSA-N 1 2 382.907 3.789 20 30 GHEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429132195 861701151 /nfs/dbraw/zinc/70/11/51/861701151.db2.gz DOOOSSIKXMZEAZ-IAGOWNOFSA-N 1 2 381.451 3.744 20 30 GHEDLO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429132195 861701156 /nfs/dbraw/zinc/70/11/56/861701156.db2.gz DOOOSSIKXMZEAZ-IAGOWNOFSA-N 1 2 381.451 3.744 20 30 GHEDLO CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000503041030 846741683 /nfs/dbraw/zinc/74/16/83/846741683.db2.gz XSFCAQWJZYLLNP-LJQANCHMSA-N 1 2 388.855 3.726 20 30 GHEDLO O=C(C[N@@H+]1CCC=C(c2ccco2)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000511125995 847241781 /nfs/dbraw/zinc/24/17/81/847241781.db2.gz OZASXPHQHPXKHC-UHFFFAOYSA-N 1 2 388.389 3.555 20 30 GHEDLO O=C(C[N@H+]1CCC=C(c2ccco2)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000511125995 847241786 /nfs/dbraw/zinc/24/17/86/847241786.db2.gz OZASXPHQHPXKHC-UHFFFAOYSA-N 1 2 388.389 3.555 20 30 GHEDLO COc1ccccc1OCC[N@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000128070299 847998746 /nfs/dbraw/zinc/99/87/46/847998746.db2.gz YJCSZZLPWYAZDJ-UHFFFAOYSA-N 1 2 391.471 3.757 20 30 GHEDLO COc1ccccc1OCC[N@@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000128070299 847998754 /nfs/dbraw/zinc/99/87/54/847998754.db2.gz YJCSZZLPWYAZDJ-UHFFFAOYSA-N 1 2 391.471 3.757 20 30 GHEDLO Cn1ncc2c1CCC[C@H]2[N@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000135607063 848204983 /nfs/dbraw/zinc/20/49/83/848204983.db2.gz JMXCPGSNNWWABY-QGZVFWFLSA-N 1 2 397.548 3.570 20 30 GHEDLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000135607063 848204991 /nfs/dbraw/zinc/20/49/91/848204991.db2.gz JMXCPGSNNWWABY-QGZVFWFLSA-N 1 2 397.548 3.570 20 30 GHEDLO Cc1[nH]c(-c2cccc(NC(=O)c3ccc(-n4ncc(C#N)c4N)cc3)c2)[nH+]c1C ZINC000363104089 848735992 /nfs/dbraw/zinc/73/59/92/848735992.db2.gz HJKIAWMAKZPDIO-UHFFFAOYSA-N 1 2 397.442 3.585 20 30 GHEDLO N#CCCCOc1cccc(CNc2ccc(N3CCC(CO)CC3)c[nH+]2)c1 ZINC000150937704 849716976 /nfs/dbraw/zinc/71/69/76/849716976.db2.gz HLSKXPQJRMGNRN-UHFFFAOYSA-N 1 2 380.492 3.585 20 30 GHEDLO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000518776852 850083304 /nfs/dbraw/zinc/08/33/04/850083304.db2.gz LMQFJAKSECKSRB-IBGZPJMESA-N 1 2 386.455 3.843 20 30 GHEDLO N#Cc1ccccc1/C=C/C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000732140089 862105744 /nfs/dbraw/zinc/10/57/44/862105744.db2.gz ZBJDRQJIARLKCV-ZGKFYVQTSA-N 1 2 381.426 3.630 20 30 GHEDLO N#Cc1ccccc1/C=C/C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000732140089 862105755 /nfs/dbraw/zinc/10/57/55/862105755.db2.gz ZBJDRQJIARLKCV-ZGKFYVQTSA-N 1 2 381.426 3.630 20 30 GHEDLO C[C@H](CSc1ccccc1)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000518917910 850350753 /nfs/dbraw/zinc/35/07/53/850350753.db2.gz CYNARWRZRLZEEL-GOSISDBHSA-N 1 2 379.529 3.631 20 30 GHEDLO C=CC1CC[NH+](Cn2nc3n(c2=S)c2ccccc2c(=O)n3CCCC)CC1 ZINC000732180802 862126189 /nfs/dbraw/zinc/12/61/89/862126189.db2.gz BQECGELDUPRNAS-UHFFFAOYSA-N 1 2 397.548 3.836 20 30 GHEDLO N#Cc1ccc(-c2nnc(N3CCC(Nc4cccc[nH+]4)CC3)n2CC2CC2)cc1 ZINC000910362741 851154150 /nfs/dbraw/zinc/15/41/50/851154150.db2.gz NLGZICNVXRNBFP-UHFFFAOYSA-N 1 2 399.502 3.703 20 30 GHEDLO CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1cc(C#N)ccc1OC ZINC000132703969 862233738 /nfs/dbraw/zinc/23/37/38/862233738.db2.gz KGCIWHBQPAYMBI-UHFFFAOYSA-N 1 2 391.393 3.835 20 30 GHEDLO CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1cc(C#N)ccc1OC ZINC000132703969 862233753 /nfs/dbraw/zinc/23/37/53/862233753.db2.gz KGCIWHBQPAYMBI-UHFFFAOYSA-N 1 2 391.393 3.835 20 30 GHEDLO N#Cc1ccc(O[C@H]2CCN(c3cc[nH+]c4c(Br)cccc34)C2)nc1 ZINC000489009233 851936155 /nfs/dbraw/zinc/93/61/55/851936155.db2.gz JRKNIYVSUDXNCT-AWEZNQCLSA-N 1 2 395.260 3.922 20 30 GHEDLO C=CCCCS(=O)(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000489187724 852101326 /nfs/dbraw/zinc/10/13/26/852101326.db2.gz KZNULHUKYHKREP-UHFFFAOYSA-N 1 2 395.528 3.984 20 30 GHEDLO C=CCOc1c(Br)cc(C[NH2+][C@@H](C)c2nnc(C)[nH]2)cc1OCC ZINC000894771487 852137300 /nfs/dbraw/zinc/13/73/00/852137300.db2.gz KCBMKSWUQMFESR-NSHDSACASA-N 1 2 395.301 3.690 20 30 GHEDLO NC(=[NH+]OCC(=O)N(CCc1ccccc1)Cc1ccccc1)c1ccccc1 ZINC000028914619 852254459 /nfs/dbraw/zinc/25/44/59/852254459.db2.gz JZMQOWHHVCDQSW-UHFFFAOYSA-N 1 2 387.483 3.595 20 30 GHEDLO C[C@H]1CN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C[C@H](C2CC2)O1 ZINC000329843860 862367136 /nfs/dbraw/zinc/36/71/36/862367136.db2.gz XPDFGHBRPAMAHY-MGPUTAFESA-N 1 2 380.492 3.931 20 30 GHEDLO C[C@]1(O)CCCN(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000329900273 862408229 /nfs/dbraw/zinc/40/82/29/862408229.db2.gz GAZOWSFYGGQYQM-PXNSSMCTSA-N 1 2 397.922 3.767 20 30 GHEDLO COc1cc(C#N)ccc1OC1CC[NH+](Cc2cc(F)cc(F)c2OC)CC1 ZINC001143563014 853059002 /nfs/dbraw/zinc/05/90/02/853059002.db2.gz IKZSJQVHRRQMHF-UHFFFAOYSA-N 1 2 388.414 3.897 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCc2ccc(CC#N)cc2)C[C@H](C)O1 ZINC000518524935 853471533 /nfs/dbraw/zinc/47/15/33/853471533.db2.gz VJWIQCKHEMVNIF-HDICACEKSA-N 1 2 392.503 3.684 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCc2ccc(CC#N)cc2)C[C@H](C)O1 ZINC000518524935 853471541 /nfs/dbraw/zinc/47/15/41/853471541.db2.gz VJWIQCKHEMVNIF-HDICACEKSA-N 1 2 392.503 3.684 20 30 GHEDLO CC[C@@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000054952762 853599589 /nfs/dbraw/zinc/59/95/89/853599589.db2.gz KJWRVYVNMMYSMY-NRFANRHFSA-N 1 2 376.504 3.579 20 30 GHEDLO C[C@](C#N)(NC(=O)C[NH2+][C@H](c1ccc(F)cc1)c1ccccc1Cl)C1CC1 ZINC000055873693 854198161 /nfs/dbraw/zinc/19/81/61/854198161.db2.gz WRNYLKMYTXZPQH-NHCUHLMSSA-N 1 2 385.870 3.967 20 30 GHEDLO CC1CC[NH+](Cc2csc(NC(=O)[C@H]3COCCN3C3CCCC3)n2)CC1 ZINC000330094208 862569652 /nfs/dbraw/zinc/56/96/52/862569652.db2.gz SOCNPAHYNPJOFE-GOSISDBHSA-N 1 2 392.569 3.606 20 30 GHEDLO CO[C@@]1(C)CCCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC000330111103 862581995 /nfs/dbraw/zinc/58/19/95/862581995.db2.gz QXRBXFKDXPXUJX-KXBFYZLASA-N 1 2 380.558 3.812 20 30 GHEDLO CO[C@@]1(C)CCCN(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC000330111103 862582006 /nfs/dbraw/zinc/58/20/06/862582006.db2.gz QXRBXFKDXPXUJX-KXBFYZLASA-N 1 2 380.558 3.812 20 30 GHEDLO O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000328994000 854644551 /nfs/dbraw/zinc/64/45/51/854644551.db2.gz UABKFODWRYXTRQ-CQSZACIVSA-N 1 2 391.878 3.575 20 30 GHEDLO O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000328994000 854644555 /nfs/dbraw/zinc/64/45/55/854644555.db2.gz UABKFODWRYXTRQ-CQSZACIVSA-N 1 2 391.878 3.575 20 30 GHEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)ccc1Cl ZINC000589272633 854779098 /nfs/dbraw/zinc/77/90/98/854779098.db2.gz FHVTZPJEPVGLAM-UYAOXDASSA-N 1 2 389.927 3.785 20 30 GHEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)ccc1Cl ZINC000589272633 854779103 /nfs/dbraw/zinc/77/91/03/854779103.db2.gz FHVTZPJEPVGLAM-UYAOXDASSA-N 1 2 389.927 3.785 20 30 GHEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1sc(N2CCOCC2)nc1Cl ZINC000895055764 854860616 /nfs/dbraw/zinc/86/06/16/854860616.db2.gz XCLCTHKNHXMEME-ZDUSSCGKSA-N 1 2 376.913 3.698 20 30 GHEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1sc(N2CCOCC2)nc1Cl ZINC000895055764 854860619 /nfs/dbraw/zinc/86/06/19/854860619.db2.gz XCLCTHKNHXMEME-ZDUSSCGKSA-N 1 2 376.913 3.698 20 30 GHEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC000921669962 855073122 /nfs/dbraw/zinc/07/31/22/855073122.db2.gz GOVLAJKVDVAMPA-UHFFFAOYSA-N 1 2 390.491 3.992 20 30 GHEDLO N#Cc1ccncc1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000553637777 855170481 /nfs/dbraw/zinc/17/04/81/855170481.db2.gz HSDXGTCNSNJHDC-UHFFFAOYSA-N 1 2 389.286 3.654 20 30 GHEDLO N#Cc1ccc(SCC(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cc1 ZINC000107180309 855372675 /nfs/dbraw/zinc/37/26/75/855372675.db2.gz ZLVNNALUVGQHMY-UHFFFAOYSA-N 1 2 380.517 3.742 20 30 GHEDLO Cc1nc(NC(=O)[C@@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)sc1C ZINC000507773311 855568119 /nfs/dbraw/zinc/56/81/19/855568119.db2.gz UFTSIXIDYQKGFG-CQSZACIVSA-N 1 2 384.505 3.502 20 30 GHEDLO Cc1nc([C@H]2CCCOC2)sc1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000330264864 862705733 /nfs/dbraw/zinc/70/57/33/862705733.db2.gz YKPOYCVLGIZZLR-HNNXBMFYSA-N 1 2 391.562 3.770 20 30 GHEDLO Cc1nc([C@H]2CCCOC2)sc1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000330264864 862705739 /nfs/dbraw/zinc/70/57/39/862705739.db2.gz YKPOYCVLGIZZLR-HNNXBMFYSA-N 1 2 391.562 3.770 20 30 GHEDLO C[C@H]1CCCC[C@@H]1OCC[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000108182402 855747569 /nfs/dbraw/zinc/74/75/69/855747569.db2.gz UBIAYKFCACCYAE-WMZOPIPTSA-N 1 2 384.480 3.524 20 30 GHEDLO N#C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(Br)cc1 ZINC000499409009 855782072 /nfs/dbraw/zinc/78/20/72/855782072.db2.gz SALJBGMODPGQOK-QGZVFWFLSA-N 1 2 381.233 3.629 20 30 GHEDLO N#Cc1ccccc1-c1ccc(CNc2cc(N3CCCC[C@H]3CO)nc[nH+]2)cc1 ZINC000302823134 855945538 /nfs/dbraw/zinc/94/55/38/855945538.db2.gz FNBDHSJKRPADHN-NRFANRHFSA-N 1 2 399.498 3.979 20 30 GHEDLO N#Cc1ccccc1-c1ccc(CNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)cc1 ZINC000302823134 855945547 /nfs/dbraw/zinc/94/55/47/855945547.db2.gz FNBDHSJKRPADHN-NRFANRHFSA-N 1 2 399.498 3.979 20 30 GHEDLO C#CC[N@@H+](Cc1cccc(C(N)=O)c1)[C@H]1CCOc2ccc(Br)cc21 ZINC000733195518 862774546 /nfs/dbraw/zinc/77/45/46/862774546.db2.gz PPYNXPBFZJPCHM-SFHVURJKSA-N 1 2 399.288 3.507 20 30 GHEDLO C#CC[N@H+](Cc1cccc(C(N)=O)c1)[C@H]1CCOc2ccc(Br)cc21 ZINC000733195518 862774553 /nfs/dbraw/zinc/77/45/53/862774553.db2.gz PPYNXPBFZJPCHM-SFHVURJKSA-N 1 2 399.288 3.507 20 30 GHEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000172395388 856420930 /nfs/dbraw/zinc/42/09/30/856420930.db2.gz IVEIRVBHPLMQSD-HNNXBMFYSA-N 1 2 379.489 3.549 20 30 GHEDLO C[C@H](c1nc2ccccc2s1)N1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000026889889 856784976 /nfs/dbraw/zinc/78/49/76/856784976.db2.gz DGJAUJGPRIROSM-QGZVFWFLSA-N 1 2 392.528 3.926 20 30 GHEDLO CC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542938395 856968679 /nfs/dbraw/zinc/96/86/79/856968679.db2.gz OIFKNQPKQABTFG-MJGOQNOKSA-N 1 2 388.393 3.933 20 30 GHEDLO CC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542938395 856968685 /nfs/dbraw/zinc/96/86/85/856968685.db2.gz OIFKNQPKQABTFG-MJGOQNOKSA-N 1 2 388.393 3.933 20 30 GHEDLO N#Cc1ccc(Br)c(CNc2cc(CSCCO)cc[nH+]2)c1 ZINC000921946924 857230449 /nfs/dbraw/zinc/23/04/49/857230449.db2.gz MVUFMDZCZMTYGC-UHFFFAOYSA-N 1 2 378.295 3.553 20 30 GHEDLO COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H](C)[NH+]2CCSCC2)cc1 ZINC000486199041 857533661 /nfs/dbraw/zinc/53/36/61/857533661.db2.gz WMYQPBQPHRQAFB-HNNXBMFYSA-N 1 2 397.500 3.735 20 30 GHEDLO N#CCOc1ccccc1C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907816023 857791131 /nfs/dbraw/zinc/79/11/31/857791131.db2.gz OZJRJTRMHWCTEP-INIZCTEOSA-N 1 2 378.476 3.647 20 30 GHEDLO N#CCOc1ccccc1C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907816023 857791137 /nfs/dbraw/zinc/79/11/37/857791137.db2.gz OZJRJTRMHWCTEP-INIZCTEOSA-N 1 2 378.476 3.647 20 30 GHEDLO N#CC[C@H]1CCCN(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000595499870 858545695 /nfs/dbraw/zinc/54/56/95/858545695.db2.gz ONBKFZCVHDUOME-CRAIPNDOSA-N 1 2 392.906 3.779 20 30 GHEDLO N#CC[C@H]1CCCN(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000595499870 858545701 /nfs/dbraw/zinc/54/57/01/858545701.db2.gz ONBKFZCVHDUOME-CRAIPNDOSA-N 1 2 392.906 3.779 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000595499292 858546007 /nfs/dbraw/zinc/54/60/07/858546007.db2.gz FAAODKYKNUOZKN-LSDHHAIUSA-N 1 2 380.517 3.710 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000595499292 858546008 /nfs/dbraw/zinc/54/60/08/858546008.db2.gz FAAODKYKNUOZKN-LSDHHAIUSA-N 1 2 380.517 3.710 20 30 GHEDLO Cn1cc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)c(-c2cccs2)n1 ZINC000183377080 858731680 /nfs/dbraw/zinc/73/16/80/858731680.db2.gz BAXNFRHAORKJOQ-LJQANCHMSA-N 1 2 377.517 3.531 20 30 GHEDLO CCOC(=O)c1cc(C)sc1NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000543175872 858733928 /nfs/dbraw/zinc/73/39/28/858733928.db2.gz KTPBHFUXGAOEIC-UHFFFAOYSA-N 1 2 397.500 3.708 20 30 GHEDLO CCOC(=O)c1cc(C)sc1NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000543175872 858733938 /nfs/dbraw/zinc/73/39/38/858733938.db2.gz KTPBHFUXGAOEIC-UHFFFAOYSA-N 1 2 397.500 3.708 20 30 GHEDLO Cn1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1-c1ccccc1 ZINC000596657069 858976211 /nfs/dbraw/zinc/97/62/11/858976211.db2.gz NFYKMWTYZUYPHH-UHFFFAOYSA-N 1 2 384.483 3.522 20 30 GHEDLO C[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccccc1OC(F)(F)F ZINC000025239607 858991604 /nfs/dbraw/zinc/99/16/04/858991604.db2.gz BYOIBNZKCHOQCY-UHFFFAOYSA-N 1 2 391.393 3.964 20 30 GHEDLO C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccccc1OC(F)(F)F ZINC000025239607 858991615 /nfs/dbraw/zinc/99/16/15/858991615.db2.gz BYOIBNZKCHOQCY-UHFFFAOYSA-N 1 2 391.393 3.964 20 30 GHEDLO N#CC1(CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CCCCC1 ZINC000596861187 859141790 /nfs/dbraw/zinc/14/17/90/859141790.db2.gz FDRYDRUBGGUZCK-VQTJNVASSA-N 1 2 377.492 3.885 20 30 GHEDLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C4(C#N)CC4)cc3)CC2)cc1F ZINC000596978678 859208427 /nfs/dbraw/zinc/20/84/27/859208427.db2.gz AICOYSVUZFGFLW-UHFFFAOYSA-N 1 2 377.463 3.647 20 30 GHEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CC[C@@H](C(F)F)C2)c1C#N ZINC000611179726 859634325 /nfs/dbraw/zinc/63/43/25/859634325.db2.gz IMRDIUHSMYNYCG-CQSZACIVSA-N 1 2 390.409 3.630 20 30 GHEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CC[C@@H](C(F)F)C2)c1C#N ZINC000611179726 859634328 /nfs/dbraw/zinc/63/43/28/859634328.db2.gz IMRDIUHSMYNYCG-CQSZACIVSA-N 1 2 390.409 3.630 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C[N@H+](CCc2ccccc2)[C@@H]2CCOC2)c1C#N ZINC000611348290 859722242 /nfs/dbraw/zinc/72/22/42/859722242.db2.gz UCEAOFKBOXOIML-JOCHJYFZSA-N 1 2 386.499 3.886 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)c1C#N ZINC000611348290 859722247 /nfs/dbraw/zinc/72/22/47/859722247.db2.gz UCEAOFKBOXOIML-JOCHJYFZSA-N 1 2 386.499 3.886 20 30 GHEDLO N#Cc1ccccc1-c1ccc(CNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000611362973 859727875 /nfs/dbraw/zinc/72/78/75/859727875.db2.gz MOFONBNJMVJZAP-NRFANRHFSA-N 1 2 385.471 3.968 20 30 GHEDLO N#CCn1c(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)cc2ccccc21 ZINC000611530058 859802046 /nfs/dbraw/zinc/80/20/46/859802046.db2.gz JNOATFTWRNTVOY-NRFANRHFSA-N 1 2 399.454 3.788 20 30 GHEDLO N#CCn1c(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)cc2ccccc21 ZINC000611530058 859802048 /nfs/dbraw/zinc/80/20/48/859802048.db2.gz JNOATFTWRNTVOY-NRFANRHFSA-N 1 2 399.454 3.788 20 30 GHEDLO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccco1 ZINC000543486817 859919934 /nfs/dbraw/zinc/91/99/34/859919934.db2.gz DEINZUQNHFXENR-BBRMVZONSA-N 1 2 387.505 3.786 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@@H](CO)c1cccc(Cl)c1F ZINC000499951301 860282187 /nfs/dbraw/zinc/28/21/87/860282187.db2.gz SRFOMCQNMDZDKL-DYVFJYSZSA-N 1 2 396.915 3.767 20 30 GHEDLO CC(C)OC(=O)Cc1nc(C[NH+]2CCC(Nc3ccccc3C#N)CC2)cs1 ZINC000602893767 860348137 /nfs/dbraw/zinc/34/81/37/860348137.db2.gz GKIQYTNDVGPBMC-UHFFFAOYSA-N 1 2 398.532 3.585 20 30 GHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+](C[C@@H]2CCOC2)C2CC2)c1=S ZINC000153019843 881532673 /nfs/dbraw/zinc/53/26/73/881532673.db2.gz CUKCQFCLHZKSKM-INIZCTEOSA-N 1 2 385.537 3.511 20 30 GHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+](C[C@@H]2CCOC2)C2CC2)c1=S ZINC000153019843 881532682 /nfs/dbraw/zinc/53/26/82/881532682.db2.gz CUKCQFCLHZKSKM-INIZCTEOSA-N 1 2 385.537 3.511 20 30 GHEDLO COc1cc(NC(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c(F)cc1C#N ZINC000603061402 860450560 /nfs/dbraw/zinc/45/05/60/860450560.db2.gz SCMQHXJZJPCKSC-SHTZXODSSA-N 1 2 383.427 3.646 20 30 GHEDLO Cc1cc(C#N)cc(C)c1Cc1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000904500224 860477352 /nfs/dbraw/zinc/47/73/52/860477352.db2.gz IPEBXDVNCRRWQO-UHFFFAOYSA-N 1 2 388.471 3.648 20 30 GHEDLO COC(=O)[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170376991 881551490 /nfs/dbraw/zinc/55/14/90/881551490.db2.gz UACKFBJNINPERZ-XERBYJISSA-N 1 2 387.483 3.636 20 30 GHEDLO CCC[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000603747699 861117711 /nfs/dbraw/zinc/11/77/11/861117711.db2.gz XVZWJLPIXFHIDK-JOCHJYFZSA-N 1 2 376.504 3.927 20 30 GHEDLO CO[C@@H]1[C@H](C)[C@H](NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1(C)C ZINC000329217446 861154377 /nfs/dbraw/zinc/15/43/77/861154377.db2.gz QDECKQDTVKHQTP-VOBQZIQPSA-N 1 2 380.492 3.796 20 30 GHEDLO C=CCn1c(CCCc2ccccc2)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000508461344 863277622 /nfs/dbraw/zinc/27/76/22/863277622.db2.gz LGLIONQFOWQXHT-UHFFFAOYSA-N 1 2 391.519 3.555 20 30 GHEDLO C#CC[C@@H](NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccccc1 ZINC000281756824 863362416 /nfs/dbraw/zinc/36/24/16/863362416.db2.gz CHQJQRWKMNHXPD-TZIWHRDSSA-N 1 2 376.504 3.873 20 30 GHEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000447363913 864433632 /nfs/dbraw/zinc/43/36/32/864433632.db2.gz LQZCPQNHFPZHBM-GOSISDBHSA-N 1 2 394.519 3.617 20 30 GHEDLO CC[N@H+](Cc1cc(Cl)ccc1OCC#N)[C@@H]1CCN(c2ccccc2)C1=O ZINC000735309004 864715152 /nfs/dbraw/zinc/71/51/52/864715152.db2.gz BRDVPQKBASUKKD-LJQANCHMSA-N 1 2 383.879 3.870 20 30 GHEDLO CC[N@@H+](Cc1cc(Cl)ccc1OCC#N)[C@@H]1CCN(c2ccccc2)C1=O ZINC000735309004 864715161 /nfs/dbraw/zinc/71/51/61/864715161.db2.gz BRDVPQKBASUKKD-LJQANCHMSA-N 1 2 383.879 3.870 20 30 GHEDLO CCc1ccc([C@H](COC)[NH2+][C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)o1 ZINC000184782236 864924340 /nfs/dbraw/zinc/92/43/40/864924340.db2.gz MCZXCVJNSVAWLR-WBMJQRKESA-N 1 2 387.505 3.568 20 30 GHEDLO C=CCO[C@@H]1CC[N@@H+](CC(=O)Nc2nc(-c3ccc(CCC)cc3)cs2)C1 ZINC001168423644 864935686 /nfs/dbraw/zinc/93/56/86/864935686.db2.gz OBKWXVJQOUETTL-GOSISDBHSA-N 1 2 385.533 3.978 20 30 GHEDLO C=CCO[C@@H]1CC[N@H+](CC(=O)Nc2nc(-c3ccc(CCC)cc3)cs2)C1 ZINC001168423644 864935693 /nfs/dbraw/zinc/93/56/93/864935693.db2.gz OBKWXVJQOUETTL-GOSISDBHSA-N 1 2 385.533 3.978 20 30 GHEDLO Cc1ncc(C[NH+]2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)s1 ZINC000120980888 881832011 /nfs/dbraw/zinc/83/20/11/881832011.db2.gz KAIHVUQCLQEEQI-KRWDZBQOSA-N 1 2 391.338 3.597 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)cc1C ZINC000738319846 865530093 /nfs/dbraw/zinc/53/00/93/865530093.db2.gz LBCZNCYEFHYWGX-SFHVURJKSA-N 1 2 397.441 3.593 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)cc1C ZINC000738319846 865530097 /nfs/dbraw/zinc/53/00/97/865530097.db2.gz LBCZNCYEFHYWGX-SFHVURJKSA-N 1 2 397.441 3.593 20 30 GHEDLO C[NH+](C)c1ccc(N2CCC(N=Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)cc1 ZINC000741451973 866542839 /nfs/dbraw/zinc/54/28/39/866542839.db2.gz ZLAVRGDRFJQIOY-UHFFFAOYSA-N 1 2 398.423 3.637 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(O)(c3cccc(C)c3C)CC2)c(C#N)c1C ZINC000741801496 866823185 /nfs/dbraw/zinc/82/31/85/866823185.db2.gz XJVHZAZZYKDGDM-QGZVFWFLSA-N 1 2 395.503 3.696 20 30 GHEDLO COC(=O)c1cccc(C[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)c1C#N ZINC000534471957 866875406 /nfs/dbraw/zinc/87/54/06/866875406.db2.gz FSLRMNGQUNKHDY-FQEVSTJZSA-N 1 2 378.472 3.569 20 30 GHEDLO COC(=O)c1cccc(C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)c1C#N ZINC000534471957 866875429 /nfs/dbraw/zinc/87/54/29/866875429.db2.gz FSLRMNGQUNKHDY-FQEVSTJZSA-N 1 2 378.472 3.569 20 30 GHEDLO C[C@H](CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+])Sc1ccccc1 ZINC000742266165 867182151 /nfs/dbraw/zinc/18/21/51/867182151.db2.gz KGQFEZGEORMSHN-OAHLLOKOSA-N 1 2 392.528 3.827 20 30 GHEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000054570752 882128909 /nfs/dbraw/zinc/12/89/09/882128909.db2.gz SBEKLSRLOGJHOE-UHFFFAOYSA-N 1 2 379.420 3.508 20 30 GHEDLO C=CC[N@H+](Cc1ccc(OC)cc1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000054570752 882128921 /nfs/dbraw/zinc/12/89/21/882128921.db2.gz SBEKLSRLOGJHOE-UHFFFAOYSA-N 1 2 379.420 3.508 20 30 GHEDLO N#CCCN(C(=O)C[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1)c1ccccc1 ZINC000157672706 868729188 /nfs/dbraw/zinc/72/91/88/868729188.db2.gz KOPDGCPCIPHVCZ-LJQANCHMSA-N 1 2 393.462 3.667 20 30 GHEDLO N#CCCN(C(=O)C[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1)c1ccccc1 ZINC000157672706 868729196 /nfs/dbraw/zinc/72/91/96/868729196.db2.gz KOPDGCPCIPHVCZ-LJQANCHMSA-N 1 2 393.462 3.667 20 30 GHEDLO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000744410827 868819190 /nfs/dbraw/zinc/81/91/90/868819190.db2.gz URSFWZDXNVMQHZ-FOIQADDNSA-N 1 2 376.435 3.642 20 30 GHEDLO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000744410827 868819202 /nfs/dbraw/zinc/81/92/02/868819202.db2.gz URSFWZDXNVMQHZ-FOIQADDNSA-N 1 2 376.435 3.642 20 30 GHEDLO Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000524472414 869128282 /nfs/dbraw/zinc/12/82/82/869128282.db2.gz SSTODIITASZPDX-UHFFFAOYSA-N 1 2 392.484 3.867 20 30 GHEDLO C[C@H](C(=O)N1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1)c1cccc(C#N)c1 ZINC000462559571 869651931 /nfs/dbraw/zinc/65/19/31/869651931.db2.gz YMISZHXDAZCJJW-LPHOPBHVSA-N 1 2 394.544 3.631 20 30 GHEDLO C[C@H](C(=O)N1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1)c1cccc(C#N)c1 ZINC000462559571 869651937 /nfs/dbraw/zinc/65/19/37/869651937.db2.gz YMISZHXDAZCJJW-LPHOPBHVSA-N 1 2 394.544 3.631 20 30 GHEDLO Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000539829286 869865384 /nfs/dbraw/zinc/86/53/84/869865384.db2.gz MOSWOMGHZRTYNZ-AEFFLSMTSA-N 1 2 392.425 3.941 20 30 GHEDLO Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000539829286 869865391 /nfs/dbraw/zinc/86/53/91/869865391.db2.gz MOSWOMGHZRTYNZ-AEFFLSMTSA-N 1 2 392.425 3.941 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(N4CCCC4)nc3)CC2)c(Cl)c1 ZINC000446920399 870712547 /nfs/dbraw/zinc/71/25/47/870712547.db2.gz MBGFYCSUWMMSQK-UHFFFAOYSA-N 1 2 381.911 3.529 20 30 GHEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCc3cc(Br)cc(F)c3C2)cc1 ZINC000775560355 870802198 /nfs/dbraw/zinc/80/21/98/870802198.db2.gz ILABUQPWJVEVTA-GOSISDBHSA-N 1 2 375.241 3.552 20 30 GHEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCc3cc(Br)cc(F)c3C2)cc1 ZINC000775560355 870802213 /nfs/dbraw/zinc/80/22/13/870802213.db2.gz ILABUQPWJVEVTA-GOSISDBHSA-N 1 2 375.241 3.552 20 30 GHEDLO CC[C@]1(CO)CCC[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000249550713 870862063 /nfs/dbraw/zinc/86/20/63/870862063.db2.gz HVYATUWEYJRFIC-UZLBHIALSA-N 1 2 375.538 3.504 20 30 GHEDLO CC[C@]1(CO)CCC[N@@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000249550713 870862072 /nfs/dbraw/zinc/86/20/72/870862072.db2.gz HVYATUWEYJRFIC-UZLBHIALSA-N 1 2 375.538 3.504 20 30 GHEDLO COC(=O)c1coc(C(=O)/C=C\c2c[nH+]c3c(C)cc(Br)cn23)c1 ZINC000766502536 870864920 /nfs/dbraw/zinc/86/49/20/870864920.db2.gz PELQTWVMAHABAE-ARJAWSKDSA-N 1 2 389.205 3.681 20 30 GHEDLO Cc1ccc(N2CC[NH+]([C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)CC2)cc1C ZINC001168918952 871009483 /nfs/dbraw/zinc/00/94/83/871009483.db2.gz RWMRKNIIABBXRB-VZQLXNMESA-N 1 2 396.579 3.745 20 30 GHEDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000191494137 882489769 /nfs/dbraw/zinc/48/97/69/882489769.db2.gz MJRWUGCEVCROHR-OALUTQOASA-N 1 2 384.545 3.640 20 30 GHEDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000191494137 882489773 /nfs/dbraw/zinc/48/97/73/882489773.db2.gz MJRWUGCEVCROHR-OALUTQOASA-N 1 2 384.545 3.640 20 30 GHEDLO N#Cc1cccc(C(=O)N2CCC[C@H]([N@H+](Cc3ccccc3)C3CC3)C2)c1O ZINC001193647085 871213808 /nfs/dbraw/zinc/21/38/08/871213808.db2.gz VBDYFTNYBJEYKR-FQEVSTJZSA-N 1 2 375.472 3.533 20 30 GHEDLO N#Cc1cccc(C(=O)N2CCC[C@H]([N@@H+](Cc3ccccc3)C3CC3)C2)c1O ZINC001193647085 871213820 /nfs/dbraw/zinc/21/38/20/871213820.db2.gz VBDYFTNYBJEYKR-FQEVSTJZSA-N 1 2 375.472 3.533 20 30 GHEDLO CCS(=O)(=O)C[C@H](C)[N@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000191493753 882490285 /nfs/dbraw/zinc/49/02/85/882490285.db2.gz JRWHZDKDBQFWQB-IBGZPJMESA-N 1 2 384.545 3.641 20 30 GHEDLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000191493753 882490295 /nfs/dbraw/zinc/49/02/95/882490295.db2.gz JRWHZDKDBQFWQB-IBGZPJMESA-N 1 2 384.545 3.641 20 30 GHEDLO C=CC[N@H+](C[C@@H]1CCCC[C@@H]1C(=O)OC)[C@H](Cc1ccccc1)C(=O)OCC ZINC001169293831 871365753 /nfs/dbraw/zinc/36/57/53/871365753.db2.gz ZKNVETUSEBYHIH-PCCBWWKXSA-N 1 2 387.520 3.628 20 30 GHEDLO C=CC[N@@H+](C[C@@H]1CCCC[C@@H]1C(=O)OC)[C@H](Cc1ccccc1)C(=O)OCC ZINC001169293831 871365799 /nfs/dbraw/zinc/36/57/99/871365799.db2.gz ZKNVETUSEBYHIH-PCCBWWKXSA-N 1 2 387.520 3.628 20 30 GHEDLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nnc(-c3cccc(C#N)c3)o2)cc1OC ZINC000441271213 871631874 /nfs/dbraw/zinc/63/18/74/871631874.db2.gz XPUQCWOZAIZZSM-SFHVURJKSA-N 1 2 390.443 3.963 20 30 GHEDLO COc1ccc([C@@H]2CCC[N@H+]2Cc2nnc(-c3cccc(C#N)c3)o2)cc1OC ZINC000441271213 871631892 /nfs/dbraw/zinc/63/18/92/871631892.db2.gz XPUQCWOZAIZZSM-SFHVURJKSA-N 1 2 390.443 3.963 20 30 GHEDLO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000618829731 872034520 /nfs/dbraw/zinc/03/45/20/872034520.db2.gz LHANHZKTPAZRSC-NRFANRHFSA-N 1 2 394.906 3.556 20 30 GHEDLO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000618829731 872034532 /nfs/dbraw/zinc/03/45/32/872034532.db2.gz LHANHZKTPAZRSC-NRFANRHFSA-N 1 2 394.906 3.556 20 30 GHEDLO C=CCCOc1ccc(C(=O)N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)cc1 ZINC001195122765 872185137 /nfs/dbraw/zinc/18/51/37/872185137.db2.gz HHZXMTVPBBCFFB-LJQANCHMSA-N 1 2 395.503 3.537 20 30 GHEDLO COc1ccc(-c2nc(CN3CC[NH+](Cc4ccc(C#N)cc4)CC3)co2)cc1 ZINC000029870539 872357191 /nfs/dbraw/zinc/35/71/91/872357191.db2.gz IJCMSTFMUYLJKQ-UHFFFAOYSA-N 1 2 388.471 3.540 20 30 GHEDLO Cn1c[nH+]cc1CCC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000526999943 872394009 /nfs/dbraw/zinc/39/40/09/872394009.db2.gz OFXSVKGVFIFXHZ-UHFFFAOYSA-N 1 2 378.407 3.581 20 30 GHEDLO N#Cc1cccc(N[NH+]=Cc2sc(N3CCOCC3)nc2-c2ccccc2)c1 ZINC000767336444 872407993 /nfs/dbraw/zinc/40/79/93/872407993.db2.gz MWGRMPPGADEXFN-UHFFFAOYSA-N 1 2 389.484 3.964 20 30 GHEDLO COc1cccc2c1CC[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C2 ZINC000182684016 872675370 /nfs/dbraw/zinc/67/53/70/872675370.db2.gz HJOSDIRCFZLVPV-UHFFFAOYSA-N 1 2 383.879 3.654 20 30 GHEDLO COc1cccc2c1CC[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C2 ZINC000182684016 872675379 /nfs/dbraw/zinc/67/53/79/872675379.db2.gz HJOSDIRCFZLVPV-UHFFFAOYSA-N 1 2 383.879 3.654 20 30 GHEDLO CSc1[nH]c(=O)c(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)cc1C#N ZINC000128157305 872731063 /nfs/dbraw/zinc/73/10/63/872731063.db2.gz NDGRNACLVVROGB-AWEZNQCLSA-N 1 2 396.516 3.595 20 30 GHEDLO CSc1[nH]c(=O)c(C(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cc1C#N ZINC000128157305 872731069 /nfs/dbraw/zinc/73/10/69/872731069.db2.gz NDGRNACLVVROGB-AWEZNQCLSA-N 1 2 396.516 3.595 20 30 GHEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc1 ZINC000767739076 872799260 /nfs/dbraw/zinc/79/92/60/872799260.db2.gz HGCNJVTUXIYTAR-UHFFFAOYSA-N 1 2 396.834 3.848 20 30 GHEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc1 ZINC000767739076 872799279 /nfs/dbraw/zinc/79/92/79/872799279.db2.gz HGCNJVTUXIYTAR-UHFFFAOYSA-N 1 2 396.834 3.848 20 30 GHEDLO Cn1cc[nH+]c1CCNC(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC001196178894 872934396 /nfs/dbraw/zinc/93/43/96/872934396.db2.gz MMGAFBNODXOOJA-UHFFFAOYSA-N 1 2 376.485 3.557 20 30 GHEDLO C[C@](O)(C1CC[NH+](Cc2cc(Cl)ccc2OCC#N)CC1)C(F)(F)F ZINC000767918524 872936533 /nfs/dbraw/zinc/93/65/33/872936533.db2.gz MYHZOZPPAGRNQY-INIZCTEOSA-N 1 2 376.806 3.768 20 30 GHEDLO C=CCC[C@H](c1ccc(C(F)(F)F)cc1)N1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000552740784 873103425 /nfs/dbraw/zinc/10/34/25/873103425.db2.gz VFABUOZJURPAPH-JKSUJKDBSA-N 1 2 392.381 3.599 20 30 GHEDLO C=CCC[C@H](c1ccc(C(F)(F)F)cc1)N1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000552740784 873103433 /nfs/dbraw/zinc/10/34/33/873103433.db2.gz VFABUOZJURPAPH-JKSUJKDBSA-N 1 2 392.381 3.599 20 30 GHEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541237904 873200246 /nfs/dbraw/zinc/20/02/46/873200246.db2.gz QTASMZWWWKEMOD-UHFFFAOYSA-N 1 2 380.492 3.631 20 30 GHEDLO N#CCC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000153137184 873222463 /nfs/dbraw/zinc/22/24/63/873222463.db2.gz MLGVQWCQVDNGSH-QGZVFWFLSA-N 1 2 375.388 3.555 20 30 GHEDLO Cc1nc([C@H]2CCC[N@@H+]2Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)cs1 ZINC000775729155 873242831 /nfs/dbraw/zinc/24/28/31/873242831.db2.gz CTRJWGZKRYSKLL-CRAIPNDOSA-N 1 2 389.484 3.826 20 30 GHEDLO Cc1nc([C@H]2CCC[N@H+]2Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)cs1 ZINC000775729155 873242840 /nfs/dbraw/zinc/24/28/40/873242840.db2.gz CTRJWGZKRYSKLL-CRAIPNDOSA-N 1 2 389.484 3.826 20 30 GHEDLO N#Cc1ccccc1COc1cccc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000609131463 873767125 /nfs/dbraw/zinc/76/71/25/873767125.db2.gz QGHJDQUFBLNLOY-OAQYLSRUSA-N 1 2 386.455 3.811 20 30 GHEDLO CC(C)COC[C@@H]([NH2+][C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1ccco1 ZINC000541627696 873989430 /nfs/dbraw/zinc/98/94/30/873989430.db2.gz VULAYAMQCQFQFG-LECRGTDLSA-N 1 2 389.540 3.902 20 30 GHEDLO N#C[C@]1(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)CC12CCCC2 ZINC000448904977 874176062 /nfs/dbraw/zinc/17/60/62/874176062.db2.gz WOJCCRWBPDVMQT-QFIPXVFZSA-N 1 2 388.475 3.736 20 30 GHEDLO C#C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1F ZINC000804421884 882833051 /nfs/dbraw/zinc/83/30/51/882833051.db2.gz HBIKMZLQOHQGGB-MRXNPFEDSA-N 1 2 398.781 3.677 20 30 GHEDLO C=CC[N@H+](CCc1ccco1)Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000491329326 874696411 /nfs/dbraw/zinc/69/64/11/874696411.db2.gz MJEBQPTVHIUEKX-UHFFFAOYSA-N 1 2 381.501 3.897 20 30 GHEDLO C=CC[N@@H+](CCc1ccco1)Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000491329326 874696418 /nfs/dbraw/zinc/69/64/18/874696418.db2.gz MJEBQPTVHIUEKX-UHFFFAOYSA-N 1 2 381.501 3.897 20 30 GHEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000491330254 874708582 /nfs/dbraw/zinc/70/85/82/874708582.db2.gz RBXBOTNQBLXZMV-UHFFFAOYSA-N 1 2 399.235 3.990 20 30 GHEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000491330254 874708586 /nfs/dbraw/zinc/70/85/86/874708586.db2.gz RBXBOTNQBLXZMV-UHFFFAOYSA-N 1 2 399.235 3.990 20 30 GHEDLO N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H]1c1ccc(Br)cc1 ZINC000528560958 874709512 /nfs/dbraw/zinc/70/95/12/874709512.db2.gz PIONKMALFZFZLI-ZWKOTPCHSA-N 1 2 387.277 3.507 20 30 GHEDLO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H]1c1ccc(Br)cc1 ZINC000528560958 874709517 /nfs/dbraw/zinc/70/95/17/874709517.db2.gz PIONKMALFZFZLI-ZWKOTPCHSA-N 1 2 387.277 3.507 20 30 GHEDLO C#CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000804454756 882868628 /nfs/dbraw/zinc/86/86/28/882868628.db2.gz UYGXMEVUGBAUEO-QFIPXVFZSA-N 1 2 384.483 3.762 20 30 GHEDLO COc1ccc2c(c1)C[N@@H+](Cc1ccc(OC)c(OCCCC#N)c1)CCO2 ZINC000449520931 874994077 /nfs/dbraw/zinc/99/40/77/874994077.db2.gz FYUJYGVVYSHPNK-UHFFFAOYSA-N 1 2 382.460 3.781 20 30 GHEDLO COc1ccc2c(c1)C[N@H+](Cc1ccc(OC)c(OCCCC#N)c1)CCO2 ZINC000449520931 874994092 /nfs/dbraw/zinc/99/40/92/874994092.db2.gz FYUJYGVVYSHPNK-UHFFFAOYSA-N 1 2 382.460 3.781 20 30 GHEDLO CCc1ccc(-c2noc(C[NH2+]C3(c4ccc(C#N)cc4)CCOCC3)n2)cc1 ZINC000528785474 875057627 /nfs/dbraw/zinc/05/76/27/875057627.db2.gz WUTGCQABLJXRJU-UHFFFAOYSA-N 1 2 388.471 3.966 20 30 GHEDLO C#CC[NH+]1CCC(C(=O)O[C@H](C)C(=O)c2ccc(Oc3ccccc3)cc2)CC1 ZINC000772113359 875704281 /nfs/dbraw/zinc/70/42/81/875704281.db2.gz MTDTVNHXXYTVOD-GOSISDBHSA-N 1 2 391.467 3.939 20 30 GHEDLO COc1ccc(CN(c2cc[nH+]cc2)S(=O)(=O)c2ccc(C#N)c(C)c2)cc1 ZINC000443886283 876353143 /nfs/dbraw/zinc/35/31/43/876353143.db2.gz RVJFKZDWEHWFCQ-UHFFFAOYSA-N 1 2 393.468 3.666 20 30 GHEDLO C[N@H+](CC(F)F)C1CCN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)CC1 ZINC000804536584 883026364 /nfs/dbraw/zinc/02/63/64/883026364.db2.gz WUBSXYGDKLXLOF-UHFFFAOYSA-N 1 2 384.352 3.689 20 30 GHEDLO C[N@@H+](CC(F)F)C1CCN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)CC1 ZINC000804536584 883026383 /nfs/dbraw/zinc/02/63/83/883026383.db2.gz WUBSXYGDKLXLOF-UHFFFAOYSA-N 1 2 384.352 3.689 20 30 GHEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000180022579 883046042 /nfs/dbraw/zinc/04/60/42/883046042.db2.gz NMBQDTSVGQULAO-AWEZNQCLSA-N 1 2 379.395 3.624 20 30 GHEDLO Cc1cccc(NC(=O)CO[NH+]=C(N)c2ccc(OCc3ccccc3)cc2)c1 ZINC000746699714 877501739 /nfs/dbraw/zinc/50/17/39/877501739.db2.gz SNRQFEOTUHMXGA-UHFFFAOYSA-N 1 2 389.455 3.850 20 30 GHEDLO N#C[C@H](CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1c(Cl)cccc1Cl ZINC001183128103 912273530 /nfs/dbraw/zinc/27/35/30/912273530.db2.gz OMUGYTCFZNXDEE-UONOGXRCSA-N 1 2 389.286 3.781 20 30 GHEDLO C[C@@H](NC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)c1cccc(C#N)c1 ZINC000615504563 877803090 /nfs/dbraw/zinc/80/30/90/877803090.db2.gz JHWSQDKIUMHNNX-OAHLLOKOSA-N 1 2 382.895 3.630 20 30 GHEDLO C[C@@H](NC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)c1cccc(C#N)c1 ZINC000615504563 877803094 /nfs/dbraw/zinc/80/30/94/877803094.db2.gz JHWSQDKIUMHNNX-OAHLLOKOSA-N 1 2 382.895 3.630 20 30 GHEDLO COc1ccc(Br)c(CNN=Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000788729039 878282093 /nfs/dbraw/zinc/28/20/93/878282093.db2.gz IBPTZODVCCXPTM-UHFFFAOYSA-N 1 2 385.265 3.767 20 30 GHEDLO N#Cc1cccc(CC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000530675638 878303379 /nfs/dbraw/zinc/30/33/79/878303379.db2.gz YEOHCLDXVJIBIF-IBGZPJMESA-N 1 2 385.870 3.674 20 30 GHEDLO N#Cc1cccc(CC(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000530675638 878303393 /nfs/dbraw/zinc/30/33/93/878303393.db2.gz YEOHCLDXVJIBIF-IBGZPJMESA-N 1 2 385.870 3.674 20 30 GHEDLO C=CCOc1ccc(C[N@@H+](CC(=O)N2CCCC2)C[C@H]2CCCO2)cc1Cl ZINC000093666533 912377736 /nfs/dbraw/zinc/37/77/36/912377736.db2.gz DTPCECAANPFJQW-GOSISDBHSA-N 1 2 392.927 3.508 20 30 GHEDLO C=CCOc1ccc(C[N@H+](CC(=O)N2CCCC2)C[C@H]2CCCO2)cc1Cl ZINC000093666533 912377758 /nfs/dbraw/zinc/37/77/58/912377758.db2.gz DTPCECAANPFJQW-GOSISDBHSA-N 1 2 392.927 3.508 20 30 GHEDLO N#Cc1ccc(-c2nnc(C[NH2+][C@@H](c3cccs3)C3(CO)CCC3)o2)cc1 ZINC000452064195 878890172 /nfs/dbraw/zinc/89/01/72/878890172.db2.gz ZLLUDZOGVUUIPU-SFHVURJKSA-N 1 2 380.473 3.663 20 30 GHEDLO C=CCn1c(-c2ccco2)nn(C[N@@H+](CCOC)[C@@H]2CC[C@@H](C)C2)c1=S ZINC000790480611 879755188 /nfs/dbraw/zinc/75/51/88/879755188.db2.gz STWCLDRTTFOCBO-HZPDHXFCSA-N 1 2 376.526 3.955 20 30 GHEDLO C=CCn1c(-c2ccco2)nn(C[N@H+](CCOC)[C@@H]2CC[C@@H](C)C2)c1=S ZINC000790480611 879755200 /nfs/dbraw/zinc/75/52/00/879755200.db2.gz STWCLDRTTFOCBO-HZPDHXFCSA-N 1 2 376.526 3.955 20 30 GHEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000531587309 880164174 /nfs/dbraw/zinc/16/41/74/880164174.db2.gz FZTRMBPLJHIHLK-PBHICJAKSA-N 1 2 378.314 3.594 20 30 GHEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000531587309 880164180 /nfs/dbraw/zinc/16/41/80/880164180.db2.gz FZTRMBPLJHIHLK-PBHICJAKSA-N 1 2 378.314 3.594 20 30 GHEDLO CON=Cc1ccc(C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)cc1 ZINC000791275648 880301333 /nfs/dbraw/zinc/30/13/33/880301333.db2.gz WEHKQSMREMGVRB-GOSISDBHSA-N 1 2 380.492 3.725 20 30 GHEDLO CON=Cc1ccc(C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)cc1 ZINC000791275648 880301347 /nfs/dbraw/zinc/30/13/47/880301347.db2.gz WEHKQSMREMGVRB-GOSISDBHSA-N 1 2 380.492 3.725 20 30 GHEDLO Cc1nc(NCc2cccc(C(=O)OCc3ccc(C#N)c(F)c3)c2)cc[nH+]1 ZINC000791448086 880413291 /nfs/dbraw/zinc/41/32/91/880413291.db2.gz PDDIKJMDUWQAHX-UHFFFAOYSA-N 1 2 376.391 3.765 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccc(Cl)cc1Cl)C2 ZINC001275202440 912606352 /nfs/dbraw/zinc/60/63/52/912606352.db2.gz QEEIKDOGZUHGDW-LJQANCHMSA-N 1 2 383.319 3.620 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccc(Cl)cc1Cl)C2 ZINC001275202440 912606355 /nfs/dbraw/zinc/60/63/55/912606355.db2.gz QEEIKDOGZUHGDW-LJQANCHMSA-N 1 2 383.319 3.620 20 30 GHEDLO CC(C)CO[C@H]1CC[N@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000119706219 881112661 /nfs/dbraw/zinc/11/26/61/881112661.db2.gz DGDZUAUHQQBLMZ-IRXDYDNUSA-N 1 2 375.538 3.624 20 30 GHEDLO CC(C)CO[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000119706219 881112670 /nfs/dbraw/zinc/11/26/70/881112670.db2.gz DGDZUAUHQQBLMZ-IRXDYDNUSA-N 1 2 375.538 3.624 20 30 GHEDLO C=C(Cl)COc1ccc([C@H](C)[NH2+]C(c2ccnn2C)c2ccnn2C)cc1 ZINC000858581542 883212296 /nfs/dbraw/zinc/21/22/96/883212296.db2.gz KRQSVHJDTYBKRB-HNNXBMFYSA-N 1 2 385.899 3.725 20 30 GHEDLO CCCCOc1ccc([C@@H](C)[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cc1OC ZINC000609676608 883532514 /nfs/dbraw/zinc/53/25/14/883532514.db2.gz UDGNMGBITJDMLC-QVKFZJNVSA-N 1 2 381.476 3.623 20 30 GHEDLO C#CCOc1ccc(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1 ZINC000761736620 883886713 /nfs/dbraw/zinc/88/67/13/883886713.db2.gz OTCAJWVPXNZEAR-FGZHOGPDSA-N 1 2 386.455 3.945 20 30 GHEDLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(F)c(C(F)(F)F)cc2F)C1 ZINC000805756969 884086103 /nfs/dbraw/zinc/08/61/03/884086103.db2.gz POYJHQVICJRSCE-ZDUSSCGKSA-N 1 2 391.258 3.911 20 30 GHEDLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(F)c(C(F)(F)F)cc2F)C1 ZINC000805756969 884086115 /nfs/dbraw/zinc/08/61/15/884086115.db2.gz POYJHQVICJRSCE-ZDUSSCGKSA-N 1 2 391.258 3.911 20 30 GHEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000444915956 884101269 /nfs/dbraw/zinc/10/12/69/884101269.db2.gz ZHYJCCXQUQLXAN-CYBMUJFWSA-N 1 2 377.370 3.722 20 30 GHEDLO N#Cc1ccc(OC(F)F)c(NC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000102802764 884467569 /nfs/dbraw/zinc/46/75/69/884467569.db2.gz PGMROZZSNFVXBP-UHFFFAOYSA-N 1 2 392.431 3.571 20 30 GHEDLO CC(=O)c1cccc(CO[NH+]=C(N)c2ccc(CNC(=O)OC(C)(C)C)cc2)c1 ZINC000842043298 884639144 /nfs/dbraw/zinc/63/91/44/884639144.db2.gz XLNMZQNJDKOXDP-UHFFFAOYSA-N 1 2 397.475 3.751 20 30 GHEDLO Cc1nc2sccn2c1C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000761914010 884958375 /nfs/dbraw/zinc/95/83/75/884958375.db2.gz QSOKZEQNRGNNIY-QGZVFWFLSA-N 1 2 395.532 3.780 20 30 GHEDLO Cc1nc2sccn2c1C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000761914010 884958390 /nfs/dbraw/zinc/95/83/90/884958390.db2.gz QSOKZEQNRGNNIY-QGZVFWFLSA-N 1 2 395.532 3.780 20 30 GHEDLO CCOc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104714093 885575905 /nfs/dbraw/zinc/57/59/05/885575905.db2.gz MGOQTAORMXAFBX-QGZVFWFLSA-N 1 2 393.487 3.827 20 30 GHEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2cc(F)c(Br)cc2C)C1=O ZINC001275294744 913049505 /nfs/dbraw/zinc/04/95/05/913049505.db2.gz QFXDNLOXAGBDTD-GOSISDBHSA-N 1 2 381.289 3.650 20 30 GHEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2cc(F)c(Br)cc2C)C1=O ZINC001275294744 913049517 /nfs/dbraw/zinc/04/95/17/913049517.db2.gz QFXDNLOXAGBDTD-GOSISDBHSA-N 1 2 381.289 3.650 20 30 GHEDLO N#Cc1cc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cnc1C(F)(F)F ZINC000499054120 886511168 /nfs/dbraw/zinc/51/11/68/886511168.db2.gz QUQHEYMGFIXPGF-UHFFFAOYSA-N 1 2 391.397 3.501 20 30 GHEDLO N#CCc1cccc2c1CC[N@@H+](CN1CC(c3ccc(Cl)cc3)=CC1=O)C2 ZINC000863336641 887040576 /nfs/dbraw/zinc/04/05/76/887040576.db2.gz SVOQMSARNYECMB-UHFFFAOYSA-N 1 2 377.875 3.647 20 30 GHEDLO N#CCc1cccc2c1CC[N@H+](CN1CC(c3ccc(Cl)cc3)=CC1=O)C2 ZINC000863336641 887040581 /nfs/dbraw/zinc/04/05/81/887040581.db2.gz SVOQMSARNYECMB-UHFFFAOYSA-N 1 2 377.875 3.647 20 30 GHEDLO N#Cc1cnc2c(F)ccc(Cl)c2c1N1CC[NH+](Cc2cccnc2)CC1 ZINC000193747006 887397913 /nfs/dbraw/zinc/39/79/13/887397913.db2.gz SOALPRAJAJGPDX-UHFFFAOYSA-N 1 2 381.842 3.616 20 30 GHEDLO N#Cc1ccc(-c2nnc(C[NH+]3CCC(Oc4ccc(F)cc4F)CC3)o2)cc1 ZINC000173539699 887544461 /nfs/dbraw/zinc/54/44/61/887544461.db2.gz WPPFMBZDXBUAEV-UHFFFAOYSA-N 1 2 396.397 3.930 20 30 GHEDLO CCO[C@H](C)c1noc(CO[NH+]=C(N)c2ccc(OCc3ccccc3)cc2)n1 ZINC000120037909 887753140 /nfs/dbraw/zinc/75/31/40/887753140.db2.gz CCEAKPATKVLPOW-OAHLLOKOSA-N 1 2 396.447 3.583 20 30 GHEDLO C[C@@H](c1nnc(-c2cccs2)o1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000026296473 888456119 /nfs/dbraw/zinc/45/61/19/888456119.db2.gz VUFZFQVJBBVUSZ-HNNXBMFYSA-N 1 2 379.489 3.549 20 30 GHEDLO CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810530260 888600736 /nfs/dbraw/zinc/60/07/36/888600736.db2.gz ZILNABJLAJVRGZ-HTAPYJJXSA-N 1 2 387.499 3.671 20 30 GHEDLO CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810530260 888600740 /nfs/dbraw/zinc/60/07/40/888600740.db2.gz ZILNABJLAJVRGZ-HTAPYJJXSA-N 1 2 387.499 3.671 20 30 GHEDLO CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810530263 888600913 /nfs/dbraw/zinc/60/09/13/888600913.db2.gz ZILNABJLAJVRGZ-VGSWGCGISA-N 1 2 387.499 3.671 20 30 GHEDLO CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810530263 888600922 /nfs/dbraw/zinc/60/09/22/888600922.db2.gz ZILNABJLAJVRGZ-VGSWGCGISA-N 1 2 387.499 3.671 20 30 GHEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)c2ccc(C#N)c(C)n2)cc1 ZINC000488126575 889115849 /nfs/dbraw/zinc/11/58/49/889115849.db2.gz NSGNJEMFCQKJMY-UHFFFAOYSA-N 1 2 375.476 3.954 20 30 GHEDLO C#CCN1CC[C@]2(CCC[N@@H+](Cc3cc(Cl)c(O)c(Cl)c3)CC2)C1=O ZINC001275321655 913336255 /nfs/dbraw/zinc/33/62/55/913336255.db2.gz FWQOTWNHAPJIBE-LJQANCHMSA-N 1 2 381.303 3.537 20 30 GHEDLO C#CCN1CC[C@]2(CCC[N@H+](Cc3cc(Cl)c(O)c(Cl)c3)CC2)C1=O ZINC001275321655 913336287 /nfs/dbraw/zinc/33/62/87/913336287.db2.gz FWQOTWNHAPJIBE-LJQANCHMSA-N 1 2 381.303 3.537 20 30 GHEDLO C[NH+](C)[C@H](C(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1)c1cccc(Cl)c1 ZINC001132787392 889540098 /nfs/dbraw/zinc/54/00/98/889540098.db2.gz NDCDCROWQSVOQX-FQEVSTJZSA-N 1 2 393.878 3.698 20 30 GHEDLO CC(C)(C)OC(=O)NCCC[N@H+](Cc1nc(C#N)cs1)Cc1ccccc1 ZINC000811498194 889649647 /nfs/dbraw/zinc/64/96/47/889649647.db2.gz NWYARJVVRJUMRS-UHFFFAOYSA-N 1 2 386.521 3.932 20 30 GHEDLO CC(C)(C)OC(=O)NCCC[N@@H+](Cc1nc(C#N)cs1)Cc1ccccc1 ZINC000811498194 889649657 /nfs/dbraw/zinc/64/96/57/889649657.db2.gz NWYARJVVRJUMRS-UHFFFAOYSA-N 1 2 386.521 3.932 20 30 GHEDLO CC(C)[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)C[C@@](C)(c2ccc(F)cc2)C1=O ZINC000811738349 889937293 /nfs/dbraw/zinc/93/72/93/889937293.db2.gz YIURWRROZCFUFO-QHCPKHFHSA-N 1 2 393.462 3.582 20 30 GHEDLO CC(C)[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)C[C@@](C)(c2ccc(F)cc2)C1=O ZINC000811738349 889937307 /nfs/dbraw/zinc/93/73/07/889937307.db2.gz YIURWRROZCFUFO-QHCPKHFHSA-N 1 2 393.462 3.582 20 30 GHEDLO C=CCn1c(=S)n(C[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)nc1C1CC1 ZINC000811784179 889997948 /nfs/dbraw/zinc/99/79/48/889997948.db2.gz PQBPRPDZBMKLSJ-GOSISDBHSA-N 1 2 381.549 3.572 20 30 GHEDLO C=CCn1c(=S)n(C[N@H+]2CCCN3c4ccccc4C[C@@H]3C2)nc1C1CC1 ZINC000811784179 889997967 /nfs/dbraw/zinc/99/79/67/889997967.db2.gz PQBPRPDZBMKLSJ-GOSISDBHSA-N 1 2 381.549 3.572 20 30 GHEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCOC[C@@H]1c1ccccc1)CCC2 ZINC000533448282 890611790 /nfs/dbraw/zinc/61/17/90/890611790.db2.gz NRWPNGIIHMOQGH-GOSISDBHSA-N 1 2 381.501 3.511 20 30 GHEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCOC[C@@H]1c1ccccc1)CCC2 ZINC000533448282 890611802 /nfs/dbraw/zinc/61/18/02/890611802.db2.gz NRWPNGIIHMOQGH-GOSISDBHSA-N 1 2 381.501 3.511 20 30 GHEDLO C#CCNC(=O)C1CC[NH+](Cn2ccn(-c3ccccc3C(C)C)c2=S)CC1 ZINC000747795611 890749397 /nfs/dbraw/zinc/74/93/97/890749397.db2.gz CKZDEHVFQYUWQE-UHFFFAOYSA-N 1 2 396.560 3.551 20 30 GHEDLO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2cc(Br)c(O)c(OCC)c2)no1 ZINC000871781242 891008958 /nfs/dbraw/zinc/00/89/58/891008958.db2.gz OBXGWYZQAGGGAB-SNVBAGLBSA-N 1 2 388.649 3.746 20 30 GHEDLO CC(C)(C)OC(=O)NCc1ccc(C(N)=[NH+]OCc2ncc(Cl)s2)cc1 ZINC000774793103 913539618 /nfs/dbraw/zinc/53/96/18/913539618.db2.gz YYCBZMIKYVAQSR-UHFFFAOYSA-N 1 2 396.900 3.658 20 30 GHEDLO C=CC[N@H+](CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O)C(C)C ZINC000917481222 892046351 /nfs/dbraw/zinc/04/63/51/892046351.db2.gz DKQKPZQUEXSPBR-UHFFFAOYSA-N 1 2 391.515 3.616 20 30 GHEDLO C=CC[N@@H+](CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O)C(C)C ZINC000917481222 892046367 /nfs/dbraw/zinc/04/63/67/892046367.db2.gz DKQKPZQUEXSPBR-UHFFFAOYSA-N 1 2 391.515 3.616 20 30 GHEDLO N#Cc1csc(C[NH+]2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)n1 ZINC000814176754 892337027 /nfs/dbraw/zinc/33/70/27/892337027.db2.gz TYDGLKUGKKUKNJ-MOPGFXCFSA-N 1 2 396.516 3.542 20 30 GHEDLO N#Cc1ccc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1C(F)(F)F ZINC000533816148 893106594 /nfs/dbraw/zinc/10/65/94/893106594.db2.gz WBDSOLJNJIQXAU-UHFFFAOYSA-N 1 2 394.422 3.988 20 30 GHEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3cnc(C#N)c(Cl)c3)CC2)c1 ZINC000455789973 893283931 /nfs/dbraw/zinc/28/39/31/893283931.db2.gz PNPUQQSUBHTFFM-CQSZACIVSA-N 1 2 399.882 3.526 20 30 GHEDLO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000498115627 893317926 /nfs/dbraw/zinc/31/79/26/893317926.db2.gz DMWROBSYAMYTGW-AEFFLSMTSA-N 1 2 375.831 3.898 20 30 GHEDLO CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000498115627 893317942 /nfs/dbraw/zinc/31/79/42/893317942.db2.gz DMWROBSYAMYTGW-AEFFLSMTSA-N 1 2 375.831 3.898 20 30 GHEDLO COc1cccc([C@@H]2[C@@H](NCc3cc(C#N)cnc3Cl)CC[N@@H+]2C2CC2)c1 ZINC000877167103 893518185 /nfs/dbraw/zinc/51/81/85/893518185.db2.gz NCQODFJVIGHCDE-VQTJNVASSA-N 1 2 382.895 3.683 20 30 GHEDLO COc1cccc([C@@H]2[C@@H](NCc3cc(C#N)cnc3Cl)CC[N@H+]2C2CC2)c1 ZINC000877167103 893518209 /nfs/dbraw/zinc/51/82/09/893518209.db2.gz NCQODFJVIGHCDE-VQTJNVASSA-N 1 2 382.895 3.683 20 30 GHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@H](C)c2ccn(C)n2)c1C#N ZINC000459781041 894182633 /nfs/dbraw/zinc/18/26/33/894182633.db2.gz GVXQGRDNXUJXGW-OAHLLOKOSA-N 1 2 382.512 3.505 20 30 GHEDLO CSc1ccc(C)c(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000537222200 894633132 /nfs/dbraw/zinc/63/31/32/894633132.db2.gz YWAICZCYTVRAJD-UHFFFAOYSA-N 1 2 380.517 3.938 20 30 GHEDLO N#Cc1cccc(COc2cccc(C[N@@H+]3CCOC[C@@H]3[C@H]3CCCO3)c2)c1 ZINC000564307977 894844572 /nfs/dbraw/zinc/84/45/72/894844572.db2.gz ZQDHFNJROAJQOH-DHIUTWEWSA-N 1 2 378.472 3.517 20 30 GHEDLO N#Cc1cccc(COc2cccc(C[N@H+]3CCOC[C@@H]3[C@H]3CCCO3)c2)c1 ZINC000564307977 894844588 /nfs/dbraw/zinc/84/45/88/894844588.db2.gz ZQDHFNJROAJQOH-DHIUTWEWSA-N 1 2 378.472 3.517 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3snc(Cl)c3Cl)CC2)cc1 ZINC000816831226 895119513 /nfs/dbraw/zinc/11/95/13/895119513.db2.gz LBKFCLJOLKJMLM-UHFFFAOYSA-N 1 2 395.315 3.670 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3snc(Cl)c3Cl)CC2)cc1 ZINC000816831226 895119520 /nfs/dbraw/zinc/11/95/20/895119520.db2.gz LBKFCLJOLKJMLM-UHFFFAOYSA-N 1 2 395.315 3.670 20 30 GHEDLO CC[C@@H](C)n1c2ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc2nc1C(F)(F)F ZINC000564867481 895288700 /nfs/dbraw/zinc/28/87/00/895288700.db2.gz FFABQDBLKJMXGK-HIFRSBDPSA-N 1 2 397.445 3.644 20 30 GHEDLO CC[C@@H](C)n1c2ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc2nc1C(F)(F)F ZINC000564867481 895288714 /nfs/dbraw/zinc/28/87/14/895288714.db2.gz FFABQDBLKJMXGK-HIFRSBDPSA-N 1 2 397.445 3.644 20 30 GHEDLO COc1ccc(NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1C#N ZINC000880880254 895959357 /nfs/dbraw/zinc/95/93/57/895959357.db2.gz ORPOARCQTDVTEP-UHFFFAOYSA-N 1 2 379.464 3.511 20 30 GHEDLO C=C(Br)C[NH2+][C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000774920098 914054072 /nfs/dbraw/zinc/05/40/72/914054072.db2.gz QYYMWOJWIQIHHD-CQSZACIVSA-N 1 2 391.231 3.867 20 30 GHEDLO C=C(Cl)CSc1nc(C)c(CC(=O)NCCCNc2cccc[nH+]2)s1 ZINC000819301632 896541809 /nfs/dbraw/zinc/54/18/09/896541809.db2.gz KOCFKWHQGUIEBB-UHFFFAOYSA-N 1 2 396.969 3.852 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1[C@H]1CCc2cccc(Cl)c2C1 ZINC001170931053 896816937 /nfs/dbraw/zinc/81/69/37/896816937.db2.gz MAQKMPPWNZYHQA-OXJNMPFZSA-N 1 2 386.927 3.611 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1[C@H]1CCc2cccc(Cl)c2C1 ZINC001170931053 896816945 /nfs/dbraw/zinc/81/69/45/896816945.db2.gz MAQKMPPWNZYHQA-OXJNMPFZSA-N 1 2 386.927 3.611 20 30 GHEDLO C=C(C)CN1C[C@@]2(F)C[N@H+](C[C@H]3C[C@H]3c3ccc(Cl)cc3)C[C@@]2(F)C1=O ZINC001275477147 914155142 /nfs/dbraw/zinc/15/51/42/914155142.db2.gz GZPLTWNZRDXOBJ-DJABAAGCSA-N 1 2 380.866 3.594 20 30 GHEDLO C=C(C)CN1C[C@@]2(F)C[N@@H+](C[C@H]3C[C@H]3c3ccc(Cl)cc3)C[C@@]2(F)C1=O ZINC001275477147 914155147 /nfs/dbraw/zinc/15/51/47/914155147.db2.gz GZPLTWNZRDXOBJ-DJABAAGCSA-N 1 2 380.866 3.594 20 30 GHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCc2ccc(C#N)s2)c(C)c1 ZINC000568983722 898259414 /nfs/dbraw/zinc/25/94/14/898259414.db2.gz LCOHTZPJMWELQW-IBGZPJMESA-N 1 2 379.489 3.674 20 30 GHEDLO CCCC[C@H](ON=C(C)C)C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC001136723247 899035228 /nfs/dbraw/zinc/03/52/28/899035228.db2.gz WTNJIMBOKSDXMM-NQIIRXRSSA-N 1 2 389.540 3.872 20 30 GHEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(N[C@H]2CCc3ccc(O)cc3C2)[nH+]1 ZINC001171029649 899236270 /nfs/dbraw/zinc/23/62/70/899236270.db2.gz RMGLCXWHPDWAFC-GDODSNDHSA-N 1 2 385.533 3.946 20 30 GHEDLO C[C@H](c1nc(C(C)(C)C)no1)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000332456813 899683859 /nfs/dbraw/zinc/68/38/59/899683859.db2.gz HNOSDJNVRHJWQS-CQSZACIVSA-N 1 2 381.480 3.650 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000119914395 899703483 /nfs/dbraw/zinc/70/34/83/899703483.db2.gz ZPEHLELBFUODHF-CVEARBPZSA-N 1 2 381.505 3.734 20 30 GHEDLO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ncn(Cc2cccc(F)c2)n1 ZINC000571468874 899878166 /nfs/dbraw/zinc/87/81/66/899878166.db2.gz XCBSHTIJJTYMHV-NRFANRHFSA-N 1 2 375.451 3.894 20 30 GHEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1csc(Nc2ccccc2)n1 ZINC000572520025 900213897 /nfs/dbraw/zinc/21/38/97/900213897.db2.gz SZCXMNVFITUGJD-UHFFFAOYSA-N 1 2 378.501 3.829 20 30 GHEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1csc(Nc2ccccc2)n1 ZINC000572520025 900213904 /nfs/dbraw/zinc/21/39/04/900213904.db2.gz SZCXMNVFITUGJD-UHFFFAOYSA-N 1 2 378.501 3.829 20 30 GHEDLO N#Cc1cccc(Cl)c1C[NH+]1CCC2(CCC(=O)N2Cc2ccncc2)CC1 ZINC001143722898 900442357 /nfs/dbraw/zinc/44/23/57/900442357.db2.gz KTWWEELEPCJILA-UHFFFAOYSA-N 1 2 394.906 3.764 20 30 GHEDLO CC(=CC(=O)Nc1cc[nH+]c2c1CCC2)C(=O)c1ccc(Br)cc1 ZINC001143880981 900676315 /nfs/dbraw/zinc/67/63/15/900676315.db2.gz OMSCCYJJVOEZSI-VAWYXSNFSA-N 1 2 385.261 3.522 20 30 GHEDLO Cc1sc2[nH]c([C@@H](C)[N@H+](C)C[C@@H](O)c3cccc(C#N)c3)nc(=O)c2c1C ZINC000844365820 900776912 /nfs/dbraw/zinc/77/69/12/900776912.db2.gz IQBBLZIERVXRRE-MLGOLLRUSA-N 1 2 382.489 3.612 20 30 GHEDLO Cc1sc2[nH]c([C@@H](C)[N@@H+](C)C[C@@H](O)c3cccc(C#N)c3)nc(=O)c2c1C ZINC000844365820 900776916 /nfs/dbraw/zinc/77/69/16/900776916.db2.gz IQBBLZIERVXRRE-MLGOLLRUSA-N 1 2 382.489 3.612 20 30 GHEDLO Cc1nc(C2CC[NH+]([C@@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)CC2)[nH]c1C ZINC000886666667 901215434 /nfs/dbraw/zinc/21/54/34/901215434.db2.gz XSMASKXCVPEQDA-IBGZPJMESA-N 1 2 393.535 3.850 20 30 GHEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000575901519 901452185 /nfs/dbraw/zinc/45/21/85/901452185.db2.gz OQNYGHZXKPOTJC-UHFFFAOYSA-N 1 2 399.857 3.580 20 30 GHEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000575901519 901452196 /nfs/dbraw/zinc/45/21/96/901452196.db2.gz OQNYGHZXKPOTJC-UHFFFAOYSA-N 1 2 399.857 3.580 20 30 GHEDLO C[C@@H](c1ccc(Cl)cc1)[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C1CC1 ZINC000576069336 901645473 /nfs/dbraw/zinc/64/54/73/901645473.db2.gz JIRQJHQABXYMCE-AWEZNQCLSA-N 1 2 389.908 3.606 20 30 GHEDLO C[C@@H](c1ccc(Cl)cc1)[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C1CC1 ZINC000576069336 901645479 /nfs/dbraw/zinc/64/54/79/901645479.db2.gz JIRQJHQABXYMCE-AWEZNQCLSA-N 1 2 389.908 3.606 20 30 GHEDLO C=CCCn1cc(-c2csc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)nn1 ZINC000887460878 902394333 /nfs/dbraw/zinc/39/43/33/902394333.db2.gz JJKFFYIEISRGOY-IBGZPJMESA-N 1 2 381.505 3.551 20 30 GHEDLO C=CCCn1cc(-c2csc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)nn1 ZINC000887460878 902394345 /nfs/dbraw/zinc/39/43/45/902394345.db2.gz JJKFFYIEISRGOY-IBGZPJMESA-N 1 2 381.505 3.551 20 30 GHEDLO C[N@H+](CCOCc1ccc(C#N)cc1)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000577244005 902613416 /nfs/dbraw/zinc/61/34/16/902613416.db2.gz QNVMBXLAGMPBMJ-UHFFFAOYSA-N 1 2 392.286 3.952 20 30 GHEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000577244005 902613428 /nfs/dbraw/zinc/61/34/28/902613428.db2.gz QNVMBXLAGMPBMJ-UHFFFAOYSA-N 1 2 392.286 3.952 20 30 GHEDLO C[C@@H](C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)[NH+]1CCSCC1 ZINC000131318809 903081379 /nfs/dbraw/zinc/08/13/79/903081379.db2.gz BTUQSXUCOWZELO-KRWDZBQOSA-N 1 2 395.528 3.707 20 30 GHEDLO Cc1ccnc([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)C2)c1 ZINC000578905049 904215857 /nfs/dbraw/zinc/21/58/57/904215857.db2.gz ZGVIXJJQUHIBOP-GJZGRUSLSA-N 1 2 380.517 3.628 20 30 GHEDLO Cc1ccnc([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)C2)c1 ZINC000578905049 904215870 /nfs/dbraw/zinc/21/58/70/904215870.db2.gz ZGVIXJJQUHIBOP-GJZGRUSLSA-N 1 2 380.517 3.628 20 30 GHEDLO Cn1c2ccc(NS(=O)(=O)Cc3ccc(CC#N)cc3)cc2[nH+]c1C(C)(C)C ZINC000579238605 904448813 /nfs/dbraw/zinc/44/88/13/904448813.db2.gz NKAWGQBPSWLVFI-UHFFFAOYSA-N 1 2 396.516 3.879 20 30 GHEDLO C=CCCCCCNC(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000579248952 904454822 /nfs/dbraw/zinc/45/48/22/904454822.db2.gz YNIABWOBCKTGMR-UHFFFAOYSA-N 1 2 380.492 3.688 20 30 GHEDLO C#CCOc1ccccc1NC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000188054828 904866180 /nfs/dbraw/zinc/86/61/80/904866180.db2.gz BMUIODBKUTWOHB-UHFFFAOYSA-N 1 2 392.503 3.555 20 30 GHEDLO O=C(c1ccccc1)N1CC[C@H]2C[C@@H]([N@@H+]3CC[C@H]4SC(=O)C=C4C3)CC[C@H]2C1 ZINC001172521831 905581511 /nfs/dbraw/zinc/58/15/11/905581511.db2.gz GVMKVKFAQDCGHO-JYAXBFRTSA-N 1 2 396.556 3.592 20 30 GHEDLO O=C(c1ccccc1)N1CC[C@H]2C[C@@H]([N@H+]3CC[C@H]4SC(=O)C=C4C3)CC[C@H]2C1 ZINC001172521831 905581524 /nfs/dbraw/zinc/58/15/24/905581524.db2.gz GVMKVKFAQDCGHO-JYAXBFRTSA-N 1 2 396.556 3.592 20 30 GHEDLO CCOC(=O)c1cc(C#N)c(Nc2ccc(N3CCCCC3)[nH+]c2)c(C)c1O ZINC001174523777 907088647 /nfs/dbraw/zinc/08/86/47/907088647.db2.gz QXXGBWKGJUBQCZ-UHFFFAOYSA-N 1 2 380.448 3.878 20 30 GHEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1ccc(Br)s1 ZINC000008164576 921301635 /nfs/dbraw/zinc/30/16/35/921301635.db2.gz XXHQKCHMUQQEGY-NSHDSACASA-N 1 2 378.295 3.841 20 30 GHEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1ccc(Br)s1 ZINC000008164576 921301637 /nfs/dbraw/zinc/30/16/37/921301637.db2.gz XXHQKCHMUQQEGY-NSHDSACASA-N 1 2 378.295 3.841 20 30 GHEDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000366093781 921306039 /nfs/dbraw/zinc/30/60/39/921306039.db2.gz JASLBZOZXYDEMV-BEFAXECRSA-N 1 2 397.548 3.756 20 30 GHEDLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000366093781 921306040 /nfs/dbraw/zinc/30/60/40/921306040.db2.gz JASLBZOZXYDEMV-BEFAXECRSA-N 1 2 397.548 3.756 20 30 GHEDLO N#Cc1ccccc1NC1CC[NH+](Cc2nc(-c3ccccc3F)no2)CC1 ZINC001174985111 907334993 /nfs/dbraw/zinc/33/49/93/907334993.db2.gz WMSUKAXSMQMUFS-UHFFFAOYSA-N 1 2 377.423 3.824 20 30 GHEDLO N#Cc1ccccc1NC1CC[NH+](Cc2cn(-c3ccc(Cl)cc3)nn2)CC1 ZINC001174984746 907335112 /nfs/dbraw/zinc/33/51/12/907335112.db2.gz RQXKDNDPJWLIJF-UHFFFAOYSA-N 1 2 392.894 3.869 20 30 GHEDLO COC(=O)c1ccc(Br)c(C[N@@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC001175061627 907337960 /nfs/dbraw/zinc/33/79/60/907337960.db2.gz IWVUCNDHSJLYHH-UHFFFAOYSA-N 1 2 399.288 3.860 20 30 GHEDLO COC(=O)c1ccc(Br)c(C[N@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC001175061627 907337975 /nfs/dbraw/zinc/33/79/75/907337975.db2.gz IWVUCNDHSJLYHH-UHFFFAOYSA-N 1 2 399.288 3.860 20 30 GHEDLO C[C@H]1CN(Cc2ccccc2)C[C@@]2(CC[N@H+](Cc3cccc(C#N)c3F)C2)O1 ZINC001175686497 907693237 /nfs/dbraw/zinc/69/32/37/907693237.db2.gz FSDSQVNNNZJILZ-MBSDFSHPSA-N 1 2 379.479 3.563 20 30 GHEDLO C[C@H]1CN(Cc2ccccc2)C[C@@]2(CC[N@@H+](Cc3cccc(C#N)c3F)C2)O1 ZINC001175686497 907693242 /nfs/dbraw/zinc/69/32/42/907693242.db2.gz FSDSQVNNNZJILZ-MBSDFSHPSA-N 1 2 379.479 3.563 20 30 GHEDLO C#Cc1cccc(Nc2ccc(C(=O)N3CCN(c4cccc[nH+]4)CC3)cc2)c1 ZINC001175975741 907847446 /nfs/dbraw/zinc/84/74/46/907847446.db2.gz TZQOMYMDXRRGPG-UHFFFAOYSA-N 1 2 382.467 3.769 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1CCN(c2[nH+]cccc2Nc2ccc(F)c(C#N)c2)C1 ZINC001176614416 908186911 /nfs/dbraw/zinc/18/69/11/908186911.db2.gz GIGXYWIRJQWXDZ-MRXNPFEDSA-N 1 2 397.454 3.939 20 30 GHEDLO N#Cc1ccc(Br)c(C[NH2+][C@H](CN2CCCC2=O)c2ccccc2)c1 ZINC000191820305 908679351 /nfs/dbraw/zinc/67/93/51/908679351.db2.gz GTSWLZRLMUDMIL-LJQANCHMSA-N 1 2 398.304 3.774 20 30 GHEDLO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3csc(-c4cccs4)n3)C2=O)cc1 ZINC000192242750 908742191 /nfs/dbraw/zinc/74/21/91/908742191.db2.gz PKGPBUHRXIEDOR-KRWDZBQOSA-N 1 2 394.525 3.634 20 30 GHEDLO CCOc1cc(C[N@H+](C)C[C@@H](C)C#N)ccc1OCC(=O)Nc1ccccc1 ZINC000271144779 910793745 /nfs/dbraw/zinc/79/37/45/910793745.db2.gz XSALEHVMSSKFTJ-KRWDZBQOSA-N 1 2 381.476 3.694 20 30 GHEDLO CCOc1cc(C[N@@H+](C)C[C@@H](C)C#N)ccc1OCC(=O)Nc1ccccc1 ZINC000271144779 910793757 /nfs/dbraw/zinc/79/37/57/910793757.db2.gz XSALEHVMSSKFTJ-KRWDZBQOSA-N 1 2 381.476 3.694 20 30 GHEDLO CCc1ccc([C@H](C#N)N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)cc1 ZINC001274562891 910813555 /nfs/dbraw/zinc/81/35/55/910813555.db2.gz QIYPHNGCRLAMNK-FQEVSTJZSA-N 1 2 389.415 3.680 20 30 GHEDLO C[C@H](C#N)OCC[N@H+](CC(=O)Nc1ccccc1F)Cc1ccc(Cl)cc1 ZINC000801930234 921643456 /nfs/dbraw/zinc/64/34/56/921643456.db2.gz JWRSOGOAWAXMFT-OAHLLOKOSA-N 1 2 389.858 3.848 20 30 GHEDLO C[C@H](C#N)OCC[N@@H+](CC(=O)Nc1ccccc1F)Cc1ccc(Cl)cc1 ZINC000801930234 921643462 /nfs/dbraw/zinc/64/34/62/921643462.db2.gz JWRSOGOAWAXMFT-OAHLLOKOSA-N 1 2 389.858 3.848 20 30 GHEDLO CC[NH+](CC)[C@H](C(=O)NC1(C#N)Cc2ccccc2C1)c1ccccc1Cl ZINC001182220517 911311445 /nfs/dbraw/zinc/31/14/45/911311445.db2.gz CNDSLIGYLIVVQM-FQEVSTJZSA-N 1 2 381.907 3.900 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000796384719 915362601 /nfs/dbraw/zinc/36/26/01/915362601.db2.gz XVDPYWTYYACZJJ-IBGZPJMESA-N 1 2 395.503 3.794 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000796384719 915362621 /nfs/dbraw/zinc/36/26/21/915362621.db2.gz XVDPYWTYYACZJJ-IBGZPJMESA-N 1 2 395.503 3.794 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCOc3ccc(C)cc3C2)cc1 ZINC000796431517 917125769 /nfs/dbraw/zinc/12/57/69/917125769.db2.gz RNRQVMSFXVZTNV-LJQANCHMSA-N 1 2 377.488 3.833 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCOc3ccc(C)cc3C2)cc1 ZINC000796431517 917125772 /nfs/dbraw/zinc/12/57/72/917125772.db2.gz RNRQVMSFXVZTNV-LJQANCHMSA-N 1 2 377.488 3.833 20 30 GHEDLO C=C(C)Cc1ccc(C(=O)N2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)cc1 ZINC001190217156 917202861 /nfs/dbraw/zinc/20/28/61/917202861.db2.gz MUKRGQYPYONJKQ-UHFFFAOYSA-N 1 2 391.515 3.712 20 30 GHEDLO C#Cc1cccc(NC(=O)NC(=O)C[N@H+]2CCC[C@@H]2c2cccc(Cl)c2)c1 ZINC001190389838 917294817 /nfs/dbraw/zinc/29/48/17/917294817.db2.gz AZDTVJFPNHICNJ-LJQANCHMSA-N 1 2 381.863 3.807 20 30 GHEDLO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@@H]2c2cccc(Cl)c2)c1 ZINC001190389838 917294819 /nfs/dbraw/zinc/29/48/19/917294819.db2.gz AZDTVJFPNHICNJ-LJQANCHMSA-N 1 2 381.863 3.807 20 30 GHEDLO Cc1cccc(O[C@@H](C)C(=O)N2CC[NH+](Cc3c(C)cc(C#N)cc3C)CC2)c1 ZINC001190993767 917693402 /nfs/dbraw/zinc/69/34/02/917693402.db2.gz CKXOLWVWUKWEGB-FQEVSTJZSA-N 1 2 391.515 3.595 20 30 GHEDLO CCCCCCCCNC(=O)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001191059618 917730969 /nfs/dbraw/zinc/73/09/69/917730969.db2.gz IBXZKUFIIWTFAG-UHFFFAOYSA-N 1 2 388.556 3.823 20 30 GHEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCCN(c4ccccc4Cl)CC3)o2)cc1 ZINC000296108012 917856793 /nfs/dbraw/zinc/85/67/93/917856793.db2.gz XRAXOJAEEFBCQK-UHFFFAOYSA-N 1 2 393.878 3.974 20 30 GHEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCCN(c4ccccc4Cl)CC3)o2)cc1 ZINC000296108012 917856798 /nfs/dbraw/zinc/85/67/98/917856798.db2.gz XRAXOJAEEFBCQK-UHFFFAOYSA-N 1 2 393.878 3.974 20 30 GHEDLO COc1cc([C@H](C)[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)ccc1OCCC(C)C ZINC000115597440 919457206 /nfs/dbraw/zinc/45/72/06/919457206.db2.gz GCECZMRWAOCGGV-KSFYIVLOSA-N 1 2 395.503 3.869 20 30 GHEDLO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000297817792 919817683 /nfs/dbraw/zinc/81/76/83/919817683.db2.gz IXEUHVDAKIEWRM-SFHVURJKSA-N 1 2 399.965 3.701 20 30 GHEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000297817792 919817697 /nfs/dbraw/zinc/81/76/97/919817697.db2.gz IXEUHVDAKIEWRM-SFHVURJKSA-N 1 2 399.965 3.701 20 30 GHEDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cn(CCCC#N)c3ccccc23)C1 ZINC000365525553 920906224 /nfs/dbraw/zinc/90/62/24/920906224.db2.gz WBQUANSCOMVZES-QGZVFWFLSA-N 1 2 375.476 3.698 20 30 GHEDLO CC(C)n1c[nH+]cc1/C=C/C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000901427707 921096598 /nfs/dbraw/zinc/09/65/98/921096598.db2.gz OSKAGKVBGJTIPW-DHZHZOJOSA-N 1 2 387.505 3.535 20 30 GHEDLO Cc1cc(C)n2c(nc(=S)n2C[NH+]2CCC(c3ccc(C#N)cc3)CC2)n1 ZINC000902590321 922332376 /nfs/dbraw/zinc/33/23/76/922332376.db2.gz WCSHKWWXMOAPHH-UHFFFAOYSA-N 1 2 378.505 3.586 20 30 GHEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC#Cc1ccc(C(F)(F)F)cc1)C2 ZINC000369645637 923509767 /nfs/dbraw/zinc/50/97/67/923509767.db2.gz DLLHWENGPSMMCV-OAHLLOKOSA-N 1 2 389.421 3.825 20 30 GHEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC#Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000369645637 923509775 /nfs/dbraw/zinc/50/97/75/923509775.db2.gz DLLHWENGPSMMCV-OAHLLOKOSA-N 1 2 389.421 3.825 20 30 GHEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411181074 926175932 /nfs/dbraw/zinc/17/59/32/926175932.db2.gz TVQJDXPTFAHDQY-HNNXBMFYSA-N 1 2 399.447 3.627 20 30 GHEDLO C=CC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411181074 926175937 /nfs/dbraw/zinc/17/59/37/926175937.db2.gz TVQJDXPTFAHDQY-HNNXBMFYSA-N 1 2 399.447 3.627 20 30 GHEDLO Cn1ncc2c1CCC[C@H]2[N@H+](C)CC(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000749542545 927179526 /nfs/dbraw/zinc/17/95/26/927179526.db2.gz FWEPZLAYVDVGSA-PPRFWAEMSA-N 1 2 378.520 3.610 20 30 GHEDLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)CC(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000749542545 927179552 /nfs/dbraw/zinc/17/95/52/927179552.db2.gz FWEPZLAYVDVGSA-PPRFWAEMSA-N 1 2 378.520 3.610 20 30 GHEDLO C=CCn1c(-c2ccccc2F)nn(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c1=S ZINC000749798418 927277713 /nfs/dbraw/zinc/27/77/13/927277713.db2.gz HLKWQZCRPTVZSB-HOTGVXAUSA-N 1 2 388.512 3.722 20 30 GHEDLO C=CCn1c(-c2ccccc2F)nn(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)c1=S ZINC000749798418 927277736 /nfs/dbraw/zinc/27/77/36/927277736.db2.gz HLKWQZCRPTVZSB-HOTGVXAUSA-N 1 2 388.512 3.722 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1=S ZINC000749799917 927279444 /nfs/dbraw/zinc/27/94/44/927279444.db2.gz PNJMOKLMROVLKG-DLBZAZTESA-N 1 2 388.512 3.722 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1=S ZINC000749799917 927279459 /nfs/dbraw/zinc/27/94/59/927279459.db2.gz PNJMOKLMROVLKG-DLBZAZTESA-N 1 2 388.512 3.722 20 30 GHEDLO Cc1n[nH]cc1C1CC[NH+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000375349574 928199383 /nfs/dbraw/zinc/19/93/83/928199383.db2.gz NQSGBGDTFRCEOM-OAHLLOKOSA-N 1 2 397.548 3.931 20 30 GHEDLO C(=NNC1=[NH+][C@@H]2CCCC[C@H]2N1)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000753927169 929595459 /nfs/dbraw/zinc/59/54/59/929595459.db2.gz BERNGYUPNJEARN-QZTJIDSGSA-N 1 2 390.516 3.795 20 30 GHEDLO COc1ccc(CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)cc1C#N ZINC000757910490 929850860 /nfs/dbraw/zinc/85/08/60/929850860.db2.gz VFQQRNGGDCBUTD-UHFFFAOYSA-N 1 2 399.454 3.804 20 30 GHEDLO C#CC[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1)Cc1ccccc1 ZINC000796639905 930488655 /nfs/dbraw/zinc/48/86/55/930488655.db2.gz PKXMTFQWPQJFSY-OAQYLSRUSA-N 1 2 392.499 3.503 20 30 GHEDLO C#CC[N@H+](CC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1)Cc1ccccc1 ZINC000796639905 930488660 /nfs/dbraw/zinc/48/86/60/930488660.db2.gz PKXMTFQWPQJFSY-OAQYLSRUSA-N 1 2 392.499 3.503 20 30 GHEDLO CC[NH+](CC)[C@H](C(=O)OC1CCN(CC#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000780440287 930520865 /nfs/dbraw/zinc/52/08/65/930520865.db2.gz KEIVJXJIEIKLTA-SFHVURJKSA-N 1 2 397.441 3.619 20 30 GHEDLO C#CCN(C(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1)C1CCCC1 ZINC000782761355 931328054 /nfs/dbraw/zinc/32/80/54/931328054.db2.gz TVXFBSOGTRWHNM-UYAOXDASSA-N 1 2 393.453 3.827 20 30 GHEDLO C#CCN(C(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1)C1CCCC1 ZINC000782761355 931328058 /nfs/dbraw/zinc/32/80/58/931328058.db2.gz TVXFBSOGTRWHNM-UYAOXDASSA-N 1 2 393.453 3.827 20 30 GHEDLO O=C(/C=C\c1cc(-n2cc[nH+]c2)cs1)c1ccc(N2CCOCC2)c(F)c1 ZINC000783700545 931622797 /nfs/dbraw/zinc/62/27/97/931622797.db2.gz SGTTZHVZQPYRMU-RQOWECAXSA-N 1 2 383.448 3.806 20 30 GHEDLO Cc1c(C(=O)/C=C/c2cc(-n3cc[nH+]c3)cs2)nnn1-c1ccc(F)cc1 ZINC000783708215 931624324 /nfs/dbraw/zinc/62/43/24/931624324.db2.gz OEDFEGVHSYLQSI-VOTSOKGWSA-N 1 2 379.420 3.858 20 30 GHEDLO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H](C)c1noc(-c2ccccc2)n1 ZINC000558409296 931984858 /nfs/dbraw/zinc/98/48/58/931984858.db2.gz RHQOARGIERWVPV-QFBILLFUSA-N 1 2 379.460 3.556 20 30 GHEDLO O=C(Cc1c[nH+]cn1Cc1ccccc1)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000558542868 932063185 /nfs/dbraw/zinc/06/31/85/932063185.db2.gz DBVFOJGQNNTEQP-UHFFFAOYSA-N 1 2 397.400 3.661 20 30 GHEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@H]2C[C@H](c3ccccc3F)C2)CC1=O ZINC000797785306 932407155 /nfs/dbraw/zinc/40/71/55/932407155.db2.gz ZGXMKZJNIADFGY-SHTZXODSSA-N 1 2 390.462 3.731 20 30 GHEDLO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)[C@@H](C#N)C1 ZINC000798275734 932588304 /nfs/dbraw/zinc/58/83/04/932588304.db2.gz UDJRPWRQSXDQEG-ICSRJNTNSA-N 1 2 384.524 3.526 20 30 GHEDLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C)c(C#N)c1 ZINC000799354037 932962862 /nfs/dbraw/zinc/96/28/62/932962862.db2.gz ZANABXQQJUXKHB-UZUQRXQVSA-N 1 2 390.531 3.943 20 30 GHEDLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C)c(C#N)c1 ZINC000799354037 932962870 /nfs/dbraw/zinc/96/28/70/932962870.db2.gz ZANABXQQJUXKHB-UZUQRXQVSA-N 1 2 390.531 3.943 20 30 GHEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)NC(=O)NCc1ccccc1 ZINC000560706181 933477737 /nfs/dbraw/zinc/47/77/37/933477737.db2.gz HHJAWASGXSWYMI-CQSZACIVSA-N 1 2 391.924 3.804 20 30 GHEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)NC(=O)NCc1ccccc1 ZINC000560706181 933477743 /nfs/dbraw/zinc/47/77/43/933477743.db2.gz HHJAWASGXSWYMI-CQSZACIVSA-N 1 2 391.924 3.804 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(c2ncco2)CC1 ZINC000931444458 934562767 /nfs/dbraw/zinc/56/27/67/934562767.db2.gz JNXJSZSPTYTUAD-OAHLLOKOSA-N 1 2 384.505 3.887 20 30 GHEDLO C=CCn1c([C@@H](O)CCCCC)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001121577575 934703569 /nfs/dbraw/zinc/70/35/69/934703569.db2.gz BOLWOOYECRJONZ-SFHVURJKSA-N 1 2 384.528 3.554 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC([C@@H]2CCOC2)CC1 ZINC001121591444 934709535 /nfs/dbraw/zinc/70/95/35/934709535.db2.gz YXSAZWUCNFXXPJ-WOJBJXKFSA-N 1 2 398.555 3.549 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC2(CCCC2)OC[C@@H]1C ZINC001121591429 934709572 /nfs/dbraw/zinc/70/95/72/934709572.db2.gz YRZONTVUGCRDKW-RBUKOAKNSA-N 1 2 398.555 3.834 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC([C@H]2CCCO2)CC1 ZINC001121591148 934709588 /nfs/dbraw/zinc/70/95/88/934709588.db2.gz VMTPRZOJFYJRSB-WOJBJXKFSA-N 1 2 398.555 3.692 20 30 GHEDLO N#Cc1cccc2c1CN(c1nnc(C[NH+]3CCCC3)n1CCc1ccccc1)C2 ZINC001122184651 934840252 /nfs/dbraw/zinc/84/02/52/934840252.db2.gz IFXUNPQLSIKXSK-UHFFFAOYSA-N 1 2 398.514 3.508 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[C@@H](c2ccccc2OC)C1 ZINC001122440922 934870367 /nfs/dbraw/zinc/87/03/67/934870367.db2.gz MONXQAFDQKWICI-IEBWSBKVSA-N 1 2 381.524 3.623 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[C@@H](c2ccccc2OC)C1 ZINC001122440922 934870376 /nfs/dbraw/zinc/87/03/76/934870376.db2.gz MONXQAFDQKWICI-IEBWSBKVSA-N 1 2 381.524 3.623 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N(Cc1ccc(C)nc1)CC1CC1 ZINC001122529455 934890610 /nfs/dbraw/zinc/89/06/10/934890610.db2.gz CTVDQIOMYPGJMB-HXUWFJFHSA-N 1 2 380.540 3.741 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N(Cc1ccc(C)nc1)CC1CC1 ZINC001122529455 934890616 /nfs/dbraw/zinc/89/06/16/934890616.db2.gz CTVDQIOMYPGJMB-HXUWFJFHSA-N 1 2 380.540 3.741 20 30 GHEDLO C[N@@H+]1CCCC[C@H]1c1nnc(N2CCC(C)(C#N)CC2)n1Cc1cccs1 ZINC001123035785 935063031 /nfs/dbraw/zinc/06/30/31/935063031.db2.gz YNFSJDWGGIGOES-KRWDZBQOSA-N 1 2 384.553 3.675 20 30 GHEDLO C[N@H+]1CCCC[C@H]1c1nnc(N2CCC(C)(C#N)CC2)n1Cc1cccs1 ZINC001123035785 935063038 /nfs/dbraw/zinc/06/30/38/935063038.db2.gz YNFSJDWGGIGOES-KRWDZBQOSA-N 1 2 384.553 3.675 20 30 GHEDLO C=CCN(c1nnc([C@@H](C)[N@H+](C)Cc2ccccc2)n1C[C@H]1CCOC1)C1CC1 ZINC001123227243 935123399 /nfs/dbraw/zinc/12/33/99/935123399.db2.gz QJDONSXCHFFUFU-UYAOXDASSA-N 1 2 395.551 3.662 20 30 GHEDLO C=CCN(c1nnc([C@@H](C)[N@@H+](C)Cc2ccccc2)n1C[C@H]1CCOC1)C1CC1 ZINC001123227243 935123402 /nfs/dbraw/zinc/12/34/02/935123402.db2.gz QJDONSXCHFFUFU-UYAOXDASSA-N 1 2 395.551 3.662 20 30 GHEDLO COc1ccc(C#N)cc1NC(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001123307042 935152172 /nfs/dbraw/zinc/15/21/72/935152172.db2.gz HPPXVZAEOKUDCK-INIZCTEOSA-N 1 2 381.480 3.930 20 30 GHEDLO C=CCOC[C@H]1C[N@H+](Cc2cccc3ncccc23)Cc2nnn(CC3CC3)c21 ZINC001137625469 935639593 /nfs/dbraw/zinc/63/95/93/935639593.db2.gz OGPGQZHAQFSABH-LJQANCHMSA-N 1 2 389.503 3.538 20 30 GHEDLO C=CCOC[C@H]1C[N@@H+](Cc2cccc3ncccc23)Cc2nnn(CC3CC3)c21 ZINC001137625469 935639596 /nfs/dbraw/zinc/63/95/96/935639596.db2.gz OGPGQZHAQFSABH-LJQANCHMSA-N 1 2 389.503 3.538 20 30 GHEDLO N#Cc1cccc(N2C[C@@]3(CC[N@@H+](Cc4cc(F)cc(F)c4F)C3)CC2=O)c1 ZINC001137871126 935836475 /nfs/dbraw/zinc/83/64/75/935836475.db2.gz ONBGVHHRIRPONX-NRFANRHFSA-N 1 2 385.389 3.605 20 30 GHEDLO N#Cc1cccc(N2C[C@@]3(CC[N@H+](Cc4cc(F)cc(F)c4F)C3)CC2=O)c1 ZINC001137871126 935836479 /nfs/dbraw/zinc/83/64/79/935836479.db2.gz ONBGVHHRIRPONX-NRFANRHFSA-N 1 2 385.389 3.605 20 30 GHEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000468959298 1016274051 /nfs/dbraw/zinc/27/40/51/1016274051.db2.gz MMRIHSGFYPMQLS-QGZVFWFLSA-N 1 2 382.357 3.588 20 30 GHEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000468959298 1016274055 /nfs/dbraw/zinc/27/40/55/1016274055.db2.gz MMRIHSGFYPMQLS-QGZVFWFLSA-N 1 2 382.357 3.588 20 30 GHEDLO N#Cc1cccc(N2CCN(c3cc[nH+]c4c(Br)cccc34)CC2)n1 ZINC000546883681 1016761398 /nfs/dbraw/zinc/76/13/98/1016761398.db2.gz KMIZJTSJGAZLET-UHFFFAOYSA-N 1 2 394.276 3.591 20 30 GHEDLO C=CCc1c(O)ccc(C(C)=O)c1OC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001227120098 1032277850 /nfs/dbraw/zinc/27/78/50/1032277850.db2.gz DJTZYVGFKBWIKO-FQEVSTJZSA-N 1 2 395.499 3.993 20 30 GHEDLO C=CCc1c(O)ccc(C(C)=O)c1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001227120098 1032277861 /nfs/dbraw/zinc/27/78/61/1032277861.db2.gz DJTZYVGFKBWIKO-FQEVSTJZSA-N 1 2 395.499 3.993 20 30 GHEDLO C=CCN(C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)[C@@H](C)COC ZINC001227422566 1032414549 /nfs/dbraw/zinc/41/45/49/1032414549.db2.gz LRSOTWNINWIIQM-YJBOKZPZSA-N 1 2 397.922 3.676 20 30 GHEDLO C=CCN(C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)[C@@H](C)COC ZINC001227422566 1032414554 /nfs/dbraw/zinc/41/45/54/1032414554.db2.gz LRSOTWNINWIIQM-YJBOKZPZSA-N 1 2 397.922 3.676 20 30 GHEDLO CC(C)(CC#N)CNC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC001221907035 1032568713 /nfs/dbraw/zinc/56/87/13/1032568713.db2.gz NPDUQPQKSUNYKJ-MRXNPFEDSA-N 1 2 380.895 3.683 20 30 GHEDLO CC(C)(CC#N)CNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC001221907035 1032568720 /nfs/dbraw/zinc/56/87/20/1032568720.db2.gz NPDUQPQKSUNYKJ-MRXNPFEDSA-N 1 2 380.895 3.683 20 30 GHEDLO C=CCOc1ccc(C[N@@H+]2CCc3onc(COc4cccnc4)c3C2)cc1 ZINC001204300627 1032741633 /nfs/dbraw/zinc/74/16/33/1032741633.db2.gz QDWBWYLZDZMTIQ-UHFFFAOYSA-N 1 2 377.444 3.772 20 30 GHEDLO C=CCOc1ccc(C[N@H+]2CCc3onc(COc4cccnc4)c3C2)cc1 ZINC001204300627 1032741648 /nfs/dbraw/zinc/74/16/48/1032741648.db2.gz QDWBWYLZDZMTIQ-UHFFFAOYSA-N 1 2 377.444 3.772 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C[C@H]1C(F)(F)F ZINC001204373121 1032813883 /nfs/dbraw/zinc/81/38/83/1032813883.db2.gz NTEOHKBBLNAIBL-HZPDHXFCSA-N 1 2 383.414 3.836 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@H]1C(F)(F)F ZINC001204373121 1032813890 /nfs/dbraw/zinc/81/38/90/1032813890.db2.gz NTEOHKBBLNAIBL-HZPDHXFCSA-N 1 2 383.414 3.836 20 30 GHEDLO C=CCOc1c(Cl)cc(CN2CC[NH+](Cc3cccnc3)CC2)cc1OC ZINC000628234599 1020680093 /nfs/dbraw/zinc/68/00/93/1020680093.db2.gz GUYMUFCHUOLDDC-UHFFFAOYSA-N 1 2 387.911 3.626 20 30 GHEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cc(Br)ccc1F)C2 ZINC001204495742 1032926922 /nfs/dbraw/zinc/92/69/22/1032926922.db2.gz CCROPNRTIZMFLJ-FUHWJXTLSA-N 1 2 384.289 3.914 20 30 GHEDLO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(Br)ccc1F)C2 ZINC001204495742 1032926926 /nfs/dbraw/zinc/92/69/26/1032926926.db2.gz CCROPNRTIZMFLJ-FUHWJXTLSA-N 1 2 384.289 3.914 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1c(O)cccc1Cl)CC2 ZINC001140338456 1021445354 /nfs/dbraw/zinc/44/53/54/1021445354.db2.gz JMXFETRWUQFYSE-UHFFFAOYSA-N 1 2 387.911 3.913 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1c(O)cccc1Cl)CC2 ZINC001140338456 1021445364 /nfs/dbraw/zinc/44/53/64/1021445364.db2.gz JMXFETRWUQFYSE-UHFFFAOYSA-N 1 2 387.911 3.913 20 30 GHEDLO N#C[C@H]1C[NH2+]CCN1C(F)(F)c1ccccc1-c1nc(Cl)c2ccccc2n1 ZINC001156333222 1032990108 /nfs/dbraw/zinc/99/01/08/1032990108.db2.gz XSDRKDFQFSUEJT-ZDUSSCGKSA-N 1 2 399.832 3.797 20 30 GHEDLO C=CCC[C@H](CO)[NH2+][C@H](C)c1cc(Br)cc(Br)c1O ZINC000834905219 1021657659 /nfs/dbraw/zinc/65/76/59/1021657659.db2.gz UNOJIYMKKHPZKS-MWLCHTKSSA-N 1 2 393.119 3.895 20 30 GHEDLO Cn1ncc2c1C[N@H+](Cc1cccc(C#N)c1Cl)C[C@@H]2COc1cccnc1 ZINC001140812381 1022603374 /nfs/dbraw/zinc/60/33/74/1022603374.db2.gz XKWKAPRHBLEIOL-QGZVFWFLSA-N 1 2 393.878 3.519 20 30 GHEDLO Cn1ncc2c1C[N@@H+](Cc1cccc(C#N)c1Cl)C[C@@H]2COc1cccnc1 ZINC001140812381 1022603382 /nfs/dbraw/zinc/60/33/82/1022603382.db2.gz XKWKAPRHBLEIOL-QGZVFWFLSA-N 1 2 393.878 3.519 20 30 GHEDLO CC(C)(C)OC(=O)Nc1cnccc1C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC001141086090 1023456387 /nfs/dbraw/zinc/45/63/87/1023456387.db2.gz WXLTWUSJPJBZAD-UHFFFAOYSA-N 1 2 393.491 3.622 20 30 GHEDLO C#C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(Br)cc1 ZINC001141461390 1025121292 /nfs/dbraw/zinc/12/12/92/1025121292.db2.gz UWEOKQYEEMMKNI-GOSISDBHSA-N 1 2 380.245 3.739 20 30 GHEDLO Cc1cc(C[N@@H+]2CCCN(c3cc(C(F)(F)F)c(F)cc3C#N)CC2)no1 ZINC001162366930 1025726957 /nfs/dbraw/zinc/72/69/57/1025726957.db2.gz NNPYDPDFCLDESZ-UHFFFAOYSA-N 1 2 382.361 3.725 20 30 GHEDLO Cc1cc(C[N@H+]2CCCN(c3cc(C(F)(F)F)c(F)cc3C#N)CC2)no1 ZINC001162366930 1025726975 /nfs/dbraw/zinc/72/69/75/1025726975.db2.gz NNPYDPDFCLDESZ-UHFFFAOYSA-N 1 2 382.361 3.725 20 30 GHEDLO C=CCOc1ccccc1C[N@H+]1Cc2cncn2C[C@@H](COc2cccnc2)C1 ZINC001139027733 1025794854 /nfs/dbraw/zinc/79/48/54/1025794854.db2.gz ACEKYTBULCEVHM-IBGZPJMESA-N 1 2 390.487 3.554 20 30 GHEDLO C=CCOc1ccccc1C[N@@H+]1Cc2cncn2C[C@@H](COc2cccnc2)C1 ZINC001139027733 1025794868 /nfs/dbraw/zinc/79/48/68/1025794868.db2.gz ACEKYTBULCEVHM-IBGZPJMESA-N 1 2 390.487 3.554 20 30 GHEDLO CC(C)c1ccc(C[NH+]2CCN(C(=O)[C@@H](C)Oc3ccc(C#N)cc3)CC2)cc1 ZINC001141600352 1025813217 /nfs/dbraw/zinc/81/32/17/1025813217.db2.gz YUIOYGXRVTYCDE-LJQANCHMSA-N 1 2 391.515 3.793 20 30 GHEDLO N#Cc1cccc(N2CCOC[C@]3(CCCN(c4[nH+]ccc5ccccc54)C3)C2)n1 ZINC001165520277 1026752492 /nfs/dbraw/zinc/75/24/92/1026752492.db2.gz ZRPJDEFIISMQLV-XMMPIXPASA-N 1 2 399.498 3.625 20 30 GHEDLO N#Cc1c[nH]c2cc[nH+]c(N3CCc4c(COCc5ccccn5)cncc4C3)c12 ZINC001165737567 1026812648 /nfs/dbraw/zinc/81/26/48/1026812648.db2.gz IIQLGRHMJPHFDY-UHFFFAOYSA-N 1 2 396.454 3.504 20 30 GHEDLO C=CCOC[C@H]1CCC[C@@]12CN(c1cc(N(CCC)CCC)[nH+]cn1)CCO2 ZINC001166368224 1026986090 /nfs/dbraw/zinc/98/60/90/1026986090.db2.gz QTPOKJZVUOZGPE-DENIHFKCSA-N 1 2 388.556 3.681 20 30 GHEDLO C=CCOC[C@H]1CCC[C@@]12CN(c1cc(N(CCC)CCC)nc[nH+]1)CCO2 ZINC001166368224 1026986097 /nfs/dbraw/zinc/98/60/97/1026986097.db2.gz QTPOKJZVUOZGPE-DENIHFKCSA-N 1 2 388.556 3.681 20 30 GHEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1cc(F)c(F)cc1Br)CC2 ZINC001142008768 1027873876 /nfs/dbraw/zinc/87/38/76/1027873876.db2.gz MSETYKLFMYPVBJ-UHFFFAOYSA-N 1 2 399.279 3.870 20 30 GHEDLO C=CCOC[C@H]1C[N@@H+](Cc2ccc(CCC)cc2)Cc2nnn(CC3CC3)c21 ZINC001142359316 1028742659 /nfs/dbraw/zinc/74/26/59/1028742659.db2.gz JTVSTGWCOVHYGN-OAQYLSRUSA-N 1 2 380.536 3.943 20 30 GHEDLO C=CCOC[C@H]1C[N@H+](Cc2ccc(CCC)cc2)Cc2nnn(CC3CC3)c21 ZINC001142359316 1028742670 /nfs/dbraw/zinc/74/26/70/1028742670.db2.gz JTVSTGWCOVHYGN-OAQYLSRUSA-N 1 2 380.536 3.943 20 30 GHEDLO CC(C)(C)OC(=O)NCc1ccc(C(N)=[NH+]OC[C@@H]2CCC(F)(F)C2)cc1 ZINC000842042231 1029038694 /nfs/dbraw/zinc/03/86/94/1029038694.db2.gz NBIKBULWOROGPE-CQSZACIVSA-N 1 2 383.439 3.784 20 30 GHEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccc(C)c(Cl)c1Cl)C2 ZINC001276717900 1029045566 /nfs/dbraw/zinc/04/55/66/1029045566.db2.gz GWRXPNCKMSUCDU-IBGZPJMESA-N 1 2 383.319 3.539 20 30 GHEDLO C=CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(C)c(Cl)c1Cl)C2 ZINC001276717900 1029045580 /nfs/dbraw/zinc/04/55/80/1029045580.db2.gz GWRXPNCKMSUCDU-IBGZPJMESA-N 1 2 383.319 3.539 20 30 GHEDLO COC1(C(F)(F)F)CC[NH+](CC(=O)/C=C2\N(C)c3ccccc3C2(C)C)CC1 ZINC000842160225 1029118261 /nfs/dbraw/zinc/11/82/61/1029118261.db2.gz FHPHYRHPVFMHNS-AQTBWJFISA-N 1 2 396.453 3.910 20 30 GHEDLO COc1ccc(C[NH+]2CCOCC2)cc1Nc1ccc(Cl)c(F)c1C#N ZINC001215552369 1029277295 /nfs/dbraw/zinc/27/72/95/1029277295.db2.gz YKWSYUHMBARWAQ-UHFFFAOYSA-N 1 2 375.831 3.935 20 30 GHEDLO CC(C)(C)OC(=O)n1cc(C[N@@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)cn1 ZINC001142801575 1029488279 /nfs/dbraw/zinc/48/82/79/1029488279.db2.gz MFTWBZCXIADRNH-GOSISDBHSA-N 1 2 382.464 3.581 20 30 GHEDLO CC(C)(C)OC(=O)n1cc(C[N@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)cn1 ZINC001142801575 1029488287 /nfs/dbraw/zinc/48/82/87/1029488287.db2.gz MFTWBZCXIADRNH-GOSISDBHSA-N 1 2 382.464 3.581 20 30 GHEDLO O=C1C=C2C[N@@H+](Cc3ccc(OC(F)F)c(OC(F)F)c3)CC[C@H]2S1 ZINC001142811299 1029513457 /nfs/dbraw/zinc/51/34/57/1029513457.db2.gz IFMIYJJMXLBTGC-CYBMUJFWSA-N 1 2 377.359 3.664 20 30 GHEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC001216829203 1029952015 /nfs/dbraw/zinc/95/20/15/1029952015.db2.gz YZAWVKXRDZZGEG-IBGZPJMESA-N 1 2 394.475 3.583 20 30 GHEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC001216829203 1029952018 /nfs/dbraw/zinc/95/20/18/1029952018.db2.gz YZAWVKXRDZZGEG-IBGZPJMESA-N 1 2 394.475 3.583 20 30 GHEDLO N#CCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(Cl)c(F)c1F)CC2 ZINC001277017195 1031239354 /nfs/dbraw/zinc/23/93/54/1031239354.db2.gz KMPQXTLUPILRPR-AWEZNQCLSA-N 1 2 381.854 3.640 20 30 GHEDLO C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(O[C@H]3CC[NH2+]CC3(F)F)cc2)c1 ZINC001219461764 1031434467 /nfs/dbraw/zinc/43/44/67/1031434467.db2.gz OVAYPLBJBKTRTC-LIRRHRJNSA-N 1 2 385.414 3.942 20 30 GHEDLO N#Cc1cc(Br)cc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC001229283434 1033390673 /nfs/dbraw/zinc/39/06/73/1033390673.db2.gz OKFZQJCJTPEJFU-IBGZPJMESA-N 1 2 387.277 3.601 20 30 GHEDLO N#Cc1cc(Br)cc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC001229283434 1033390683 /nfs/dbraw/zinc/39/06/83/1033390683.db2.gz OKFZQJCJTPEJFU-IBGZPJMESA-N 1 2 387.277 3.601 20 30 GHEDLO C=CCSc1ncccc1C(=O)N1CC2(CC[N@H+]2CCCC(F)(F)F)C1 ZINC001277380711 1033443574 /nfs/dbraw/zinc/44/35/74/1033443574.db2.gz PINBDROGZOBEQQ-UHFFFAOYSA-N 1 2 385.455 3.603 20 30 GHEDLO C=CCSc1ncccc1C(=O)N1CC2(CC[N@@H+]2CCCC(F)(F)F)C1 ZINC001277380711 1033443585 /nfs/dbraw/zinc/44/35/85/1033443585.db2.gz PINBDROGZOBEQQ-UHFFFAOYSA-N 1 2 385.455 3.603 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@H+](Cc3cc(Cl)cc(F)c3O)CC2)C1=O ZINC001277388363 1033488383 /nfs/dbraw/zinc/48/83/83/1033488383.db2.gz VHKVWOZAFUYPOD-HXUWFJFHSA-N 1 2 380.891 3.965 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+](Cc3cc(Cl)cc(F)c3O)CC2)C1=O ZINC001277388363 1033488391 /nfs/dbraw/zinc/48/83/91/1033488391.db2.gz VHKVWOZAFUYPOD-HXUWFJFHSA-N 1 2 380.891 3.965 20 30 GHEDLO CCOC(=O)[C@@H]1CCC[C@H]1Oc1nc(C)c(-c2ccc3[nH+]ccn3c2)cc1C#N ZINC001229765599 1033696508 /nfs/dbraw/zinc/69/65/08/1033696508.db2.gz FKMFBVXQJKRVIK-IEBWSBKVSA-N 1 2 390.443 3.687 20 30 GHEDLO COc1cc(N2CCN(c3c(C#N)c(Cl)nc4cccc(C)c43)CC2)cc[nH+]1 ZINC001158104618 1033917105 /nfs/dbraw/zinc/91/71/05/1033917105.db2.gz PADSVZICDBDMDE-UHFFFAOYSA-N 1 2 393.878 3.799 20 30 GHEDLO C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(OC)c(Cl)c(F)c1F)CC2 ZINC001276523586 1034273082 /nfs/dbraw/zinc/27/30/82/1034273082.db2.gz UJCNTCUGOYVNCY-CYBMUJFWSA-N 1 2 384.854 3.531 20 30 GHEDLO COC(=O)/C=C/c1cc(C)c[nH+]c1N1CCC(C#N)(c2ccccc2F)CC1 ZINC001158888929 1034321160 /nfs/dbraw/zinc/32/11/60/1034321160.db2.gz GMESRKRBVVYGOP-BQYQJAHWSA-N 1 2 379.435 3.777 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1CCc1cccc(Br)c1 ZINC001207505805 1034410182 /nfs/dbraw/zinc/41/01/82/1034410182.db2.gz YLZZPXWBYDGGJG-SFHVURJKSA-N 1 2 390.325 3.527 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1CCc1cccc(Br)c1 ZINC001207505805 1034410191 /nfs/dbraw/zinc/41/01/91/1034410191.db2.gz YLZZPXWBYDGGJG-SFHVURJKSA-N 1 2 390.325 3.527 20 30 GHEDLO COc1cc(C#N)ccc1OC1CC[NH+](Cc2c(F)ccc(F)c2OC)CC1 ZINC001231414078 1034567781 /nfs/dbraw/zinc/56/77/81/1034567781.db2.gz FMEAACNYSBBBBR-UHFFFAOYSA-N 1 2 388.414 3.897 20 30 GHEDLO C=CCOc1cccc(C[N@@H+]2CCc3onc(COc4cccnc4)c3C2)c1 ZINC001231623678 1034784320 /nfs/dbraw/zinc/78/43/20/1034784320.db2.gz PQRWTKAJQULQFH-UHFFFAOYSA-N 1 2 377.444 3.772 20 30 GHEDLO C=CCOc1cccc(C[N@H+]2CCc3onc(COc4cccnc4)c3C2)c1 ZINC001231623678 1034784331 /nfs/dbraw/zinc/78/43/31/1034784331.db2.gz PQRWTKAJQULQFH-UHFFFAOYSA-N 1 2 377.444 3.772 20 30 GHEDLO C=CCOC[C@H]1C[N@@H+](Cc2c[nH]c3cc(F)ccc23)Cc2nnn(CC3CC3)c21 ZINC001209687519 1035355538 /nfs/dbraw/zinc/35/55/38/1035355538.db2.gz KJNJBKBYJQJJLA-QGZVFWFLSA-N 1 2 395.482 3.611 20 30 GHEDLO C=CCOC[C@H]1C[N@H+](Cc2c[nH]c3cc(F)ccc23)Cc2nnn(CC3CC3)c21 ZINC001209687519 1035355544 /nfs/dbraw/zinc/35/55/44/1035355544.db2.gz KJNJBKBYJQJJLA-QGZVFWFLSA-N 1 2 395.482 3.611 20 30 GHEDLO N#Cc1cccc(-c2noc([C@@H]3[NH2+]CCc4cc(Br)ccc43)n2)c1 ZINC001248631106 1036009028 /nfs/dbraw/zinc/00/90/28/1036009028.db2.gz QLTNXTJYOBMPQQ-MRXNPFEDSA-N 1 2 381.233 3.606 20 30 GHEDLO N#Cc1ccc(NC(=S)NCc2c[nH+]cn2Cc2cccc(Cl)c2)cc1 ZINC001245954497 1037077500 /nfs/dbraw/zinc/07/75/00/1037077500.db2.gz JSWSWGLYVWDNGG-UHFFFAOYSA-N 1 2 381.892 3.943 20 30 GHEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1ccc(C(=O)OC)cc1Cl)CCO2 ZINC001232576817 1038344754 /nfs/dbraw/zinc/34/47/54/1038344754.db2.gz MYJNYLKCQTYZKU-GHTZIAJQSA-N 1 2 393.911 3.700 20 30 GHEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1ccc(C(=O)OC)cc1Cl)CCO2 ZINC001232576817 1038344764 /nfs/dbraw/zinc/34/47/64/1038344764.db2.gz MYJNYLKCQTYZKU-GHTZIAJQSA-N 1 2 393.911 3.700 20 30 GHEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3C#N)CC[C@@H]2C1 ZINC001232606457 1038389939 /nfs/dbraw/zinc/38/99/39/1038389939.db2.gz PREMQZCNNXGWAF-WBVHZDCISA-N 1 2 375.900 3.900 20 30 GHEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(Cl)cc3C#N)CC[C@@H]2C1 ZINC001232606457 1038389948 /nfs/dbraw/zinc/38/99/48/1038389948.db2.gz PREMQZCNNXGWAF-WBVHZDCISA-N 1 2 375.900 3.900 20 30 GHEDLO N#Cc1ccc(O)c(C[NH+]2CCC(O)(c3ccc(Br)cc3)CC2)c1 ZINC001232674491 1038472019 /nfs/dbraw/zinc/47/20/19/1038472019.db2.gz AJHDDHQFANMCDM-UHFFFAOYSA-N 1 2 387.277 3.510 20 30 GHEDLO C=CCOC(=O)N1CCC2(CCC[N@H+](Cc3cc(O)c(F)c(F)c3)C2)CC1 ZINC001232969296 1038742647 /nfs/dbraw/zinc/74/26/47/1038742647.db2.gz NZZNEVWDSWSEQP-UHFFFAOYSA-N 1 2 380.435 3.671 20 30 GHEDLO CCOC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2O)Cc2cn(CC3CCCC3)nc21 ZINC001233384874 1039212067 /nfs/dbraw/zinc/21/20/67/1039212067.db2.gz LUKCECUEXBOBLF-NRFANRHFSA-N 1 2 394.519 3.786 20 30 GHEDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2O)Cc2cn(CC3CCCC3)nc21 ZINC001233384874 1039212077 /nfs/dbraw/zinc/21/20/77/1039212077.db2.gz LUKCECUEXBOBLF-NRFANRHFSA-N 1 2 394.519 3.786 20 30 GHEDLO CC(C)(C)OC(=O)NC[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(C#N)cc1O ZINC001233388224 1039212238 /nfs/dbraw/zinc/21/22/38/1039212238.db2.gz QRYLETRBDRAENT-FQEVSTJZSA-N 1 2 393.487 3.715 20 30 GHEDLO CCCCCCCCCC[C@@H](O)C[N@H+]1Cc2nnn(C)c2[C@H](COCC)C1 ZINC001252984095 1039312584 /nfs/dbraw/zinc/31/25/84/1039312584.db2.gz CYMAKMHONQWQOP-RBUKOAKNSA-N 1 2 380.577 3.643 20 30 GHEDLO CCCCCCCCCC[C@@H](O)C[N@@H+]1Cc2nnn(C)c2[C@H](COCC)C1 ZINC001252984095 1039312601 /nfs/dbraw/zinc/31/26/01/1039312601.db2.gz CYMAKMHONQWQOP-RBUKOAKNSA-N 1 2 380.577 3.643 20 30 GHEDLO C=CCCCCCC[C@H](O)CNc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001253245101 1039500025 /nfs/dbraw/zinc/50/00/25/1039500025.db2.gz ZHVXIOAYSQWLSM-NRFANRHFSA-N 1 2 376.541 3.697 20 30 GHEDLO CC(C)(C)c1ccc(C(=O)OC[C@H](O)C[N@H+](CCC#N)Cc2ccccc2)cc1 ZINC001253413938 1039609267 /nfs/dbraw/zinc/60/92/67/1039609267.db2.gz PAZKPWSFGJDQKC-JOCHJYFZSA-N 1 2 394.515 3.918 20 30 GHEDLO CC(C)(C)c1ccc(C(=O)OC[C@H](O)C[N@@H+](CCC#N)Cc2ccccc2)cc1 ZINC001253413938 1039609274 /nfs/dbraw/zinc/60/92/74/1039609274.db2.gz PAZKPWSFGJDQKC-JOCHJYFZSA-N 1 2 394.515 3.918 20 30 GHEDLO C=CCCC(C)(C)CNC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC001234226189 1039928536 /nfs/dbraw/zinc/92/85/36/1039928536.db2.gz ONDIIVRSKANERY-FQEVSTJZSA-N 1 2 387.568 3.911 20 30 GHEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(C(F)(F)F)nc1Cl ZINC001277927669 1040642653 /nfs/dbraw/zinc/64/26/53/1040642653.db2.gz LCEJLUNUQNTVSU-QGZVFWFLSA-N 1 2 387.833 3.897 20 30 GHEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(C(F)(F)F)nc1Cl ZINC001277927669 1040642667 /nfs/dbraw/zinc/64/26/67/1040642667.db2.gz LCEJLUNUQNTVSU-QGZVFWFLSA-N 1 2 387.833 3.897 20 30 GHEDLO COC(=O)c1ccc(-c2cccc(Cl)c2C[NH+]2CCOCC2)cc1CC#N ZINC001236279358 1041657395 /nfs/dbraw/zinc/65/73/95/1041657395.db2.gz YFNMJNYRXWLTFP-UHFFFAOYSA-N 1 2 384.863 3.692 20 30 GHEDLO C=CCOCc1ncn2c1C[N@H+](Cc1ccc(-n3cccn3)c(Cl)c1)CCC2 ZINC001236895967 1041943923 /nfs/dbraw/zinc/94/39/23/1041943923.db2.gz CVMXDZGZDUWEIN-UHFFFAOYSA-N 1 2 397.910 3.831 20 30 GHEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1ccc(-n3cccn3)c(Cl)c1)CCC2 ZINC001236895967 1041943929 /nfs/dbraw/zinc/94/39/29/1041943929.db2.gz CVMXDZGZDUWEIN-UHFFFAOYSA-N 1 2 397.910 3.831 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(C(F)F)c(OC)c1 ZINC001237274338 1042117609 /nfs/dbraw/zinc/11/76/09/1042117609.db2.gz PNTCVSZHTPTEJT-KRWDZBQOSA-N 1 2 377.435 3.668 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(C(F)F)c(OC)c1 ZINC001237274338 1042117616 /nfs/dbraw/zinc/11/76/16/1042117616.db2.gz PNTCVSZHTPTEJT-KRWDZBQOSA-N 1 2 377.435 3.668 20 30 GHEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C)c(F)cc2Br)C1 ZINC001237512984 1042244631 /nfs/dbraw/zinc/24/46/31/1042244631.db2.gz UHZUFPVRUONWKO-CQSZACIVSA-N 1 2 385.277 3.773 20 30 GHEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C)c(F)cc2Br)C1 ZINC001237512984 1042244632 /nfs/dbraw/zinc/24/46/32/1042244632.db2.gz UHZUFPVRUONWKO-CQSZACIVSA-N 1 2 385.277 3.773 20 30 GHEDLO CN(CC1CC[NH+](Cc2cc(C#N)c(F)cc2F)CC1)C(=O)OC(C)(C)C ZINC001237526899 1042251490 /nfs/dbraw/zinc/25/14/90/1042251490.db2.gz RWYYOWLOXJPEFL-UHFFFAOYSA-N 1 2 379.451 3.915 20 30 GHEDLO CN(Cc1ccco1)[C@@H]1C[N@H+](Cc2cc(Cl)cc(C#N)c2)[C@@H]2CCCO[C@H]12 ZINC001237751139 1042353760 /nfs/dbraw/zinc/35/37/60/1042353760.db2.gz RVVNNQCJHOGKQS-NJYVYQBISA-N 1 2 385.895 3.668 20 30 GHEDLO CN(Cc1ccco1)[C@@H]1C[N@@H+](Cc2cc(Cl)cc(C#N)c2)[C@@H]2CCCO[C@H]12 ZINC001237751139 1042353769 /nfs/dbraw/zinc/35/37/69/1042353769.db2.gz RVVNNQCJHOGKQS-NJYVYQBISA-N 1 2 385.895 3.668 20 30 GHEDLO COc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3OC)CC2)c(Cl)n1 ZINC001237797893 1042375756 /nfs/dbraw/zinc/37/57/56/1042375756.db2.gz UXWRINQVCSASSM-UHFFFAOYSA-N 1 2 387.867 3.667 20 30 GHEDLO CCn1c2ccccc2nc1N1CC[NH+](Cc2ccc(Cl)c(C#N)c2)CC1 ZINC001238195706 1042515970 /nfs/dbraw/zinc/51/59/70/1042515970.db2.gz KHLJLTBXHPCMAK-UHFFFAOYSA-N 1 2 379.895 3.903 20 30 GHEDLO N#C[C@@H]1CCC[N@@H+](Cc2cc3cncc(I)c3o2)CC1 ZINC001238261216 1042536047 /nfs/dbraw/zinc/53/60/47/1042536047.db2.gz YLPUUJMZKWJRCK-LLVKDONJSA-N 1 2 381.217 3.558 20 30 GHEDLO N#C[C@@H]1CCC[N@H+](Cc2cc3cncc(I)c3o2)CC1 ZINC001238261216 1042536049 /nfs/dbraw/zinc/53/60/49/1042536049.db2.gz YLPUUJMZKWJRCK-LLVKDONJSA-N 1 2 381.217 3.558 20 30 GHEDLO COc1cc(C#N)ccc1OC1CC[NH+](Cc2cnc(F)c(OC(C)C)c2)CC1 ZINC001238605066 1042655933 /nfs/dbraw/zinc/65/59/33/1042655933.db2.gz WSIIHQSOFWCJOI-UHFFFAOYSA-N 1 2 399.466 3.932 20 30 GHEDLO CCc1cc(C[N@@H+]2CCC(F)(F)[C@@H](NC(=O)OC(C)(C)C)C2)ccc1C#N ZINC001238768166 1042720638 /nfs/dbraw/zinc/72/06/38/1042720638.db2.gz GPQMVKBMZVCSTI-KRWDZBQOSA-N 1 2 379.451 3.855 20 30 GHEDLO CCc1cc(C[N@H+]2CCC(F)(F)[C@@H](NC(=O)OC(C)(C)C)C2)ccc1C#N ZINC001238768166 1042720641 /nfs/dbraw/zinc/72/06/41/1042720641.db2.gz GPQMVKBMZVCSTI-KRWDZBQOSA-N 1 2 379.451 3.855 20 30 GHEDLO C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNc2cccc[nH+]2)C1 ZINC001291153292 1043112445 /nfs/dbraw/zinc/11/24/45/1043112445.db2.gz CQVVLYWLFPBJII-KRWDZBQOSA-N 1 2 387.491 3.560 20 30 GHEDLO CC[C@H](C)c1nnc(N2CCC(C#N)CC2)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001291480687 1043295661 /nfs/dbraw/zinc/29/56/61/1043295661.db2.gz HETVJDQKDVWYJG-KRWDZBQOSA-N 1 2 389.507 3.766 20 30 GHEDLO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(C#N)s1)c1ccccc1Cl ZINC001462730351 1070504517 /nfs/dbraw/zinc/50/45/17/1070504517.db2.gz MXMPADYWEWBRQJ-MRXNPFEDSA-N 1 2 397.953 3.635 20 30 GHEDLO Cc1ccc(C(=O)/C=C/C(=O)Nc2ccccc2C[NH+]2CCSCC2)cc1 ZINC001292330667 1043688476 /nfs/dbraw/zinc/68/84/76/1043688476.db2.gz PCQXWXPOTSBMBK-ZHACJKMWSA-N 1 2 380.513 3.921 20 30 GHEDLO C[C@@]1(C#N)CCCN(C(=O)[C@H](c2cccc(Br)c2)[NH+]2CCCC2)C1 ZINC001295474584 1045029521 /nfs/dbraw/zinc/02/95/21/1045029521.db2.gz DRFQGHRKIJPDBL-HKUYNNGSSA-N 1 2 390.325 3.738 20 30 GHEDLO C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC001300806180 1046174897 /nfs/dbraw/zinc/17/48/97/1046174897.db2.gz RCNOSSYALQIRHI-FDDCHVKYSA-N 1 2 394.567 3.941 20 30 GHEDLO C=CCn1c(-c2cc3occc3[nH]2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001262957892 1046450693 /nfs/dbraw/zinc/45/06/93/1046450693.db2.gz KDCFFTUORARYRQ-UHFFFAOYSA-N 1 2 389.463 3.681 20 30 GHEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCC2(CCCC2)C1 ZINC001263343126 1046726287 /nfs/dbraw/zinc/72/62/87/1046726287.db2.gz OPPSPVGBIPARHB-OALUTQOASA-N 1 2 385.556 3.551 20 30 GHEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCC2(CCCC2)C1 ZINC001263343126 1046726299 /nfs/dbraw/zinc/72/62/99/1046726299.db2.gz OPPSPVGBIPARHB-OALUTQOASA-N 1 2 385.556 3.551 20 30 GHEDLO N#CCC[NH+]1CCC(c2nnc(N3CCCCCC3)n2Cc2cccs2)CC1 ZINC001263489331 1046890013 /nfs/dbraw/zinc/89/00/13/1046890013.db2.gz NDEXEKYRLZRRLU-UHFFFAOYSA-N 1 2 398.580 3.861 20 30 GHEDLO Cn1cc(C[NH+]2CC3(CN(Cc4cc(Cl)cc(Cl)c4F)C3)C2)cc1C#N ZINC001279803305 1047954388 /nfs/dbraw/zinc/95/43/88/1047954388.db2.gz GQMRKVDGMUTCEQ-UHFFFAOYSA-N 1 2 393.293 3.660 20 30 GHEDLO C=CCCCC[N@H+]1CC[C@@H]2C[C@@]21C(=O)Nc1ncc(C)cc1Br ZINC001280127801 1048095944 /nfs/dbraw/zinc/09/59/44/1048095944.db2.gz GFXBRVMAMYKPTL-KDOFPFPSSA-N 1 2 378.314 3.912 20 30 GHEDLO C=CCCCC[N@@H+]1CC[C@@H]2C[C@@]21C(=O)Nc1ncc(C)cc1Br ZINC001280127801 1048095959 /nfs/dbraw/zinc/09/59/59/1048095959.db2.gz GFXBRVMAMYKPTL-KDOFPFPSSA-N 1 2 378.314 3.912 20 30 GHEDLO C#CCN(CC)c1nnc(C(C)(C)C)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001286436005 1048319844 /nfs/dbraw/zinc/31/98/44/1048319844.db2.gz QSBHJSDZESGRAE-UHFFFAOYSA-N 1 2 394.567 3.715 20 30 GHEDLO Cc1ccc([C@@H](CNc2cc(C(F)(F)F)cc(C#N)n2)[NH+]2CCOCC2)cc1 ZINC001306938257 1048968564 /nfs/dbraw/zinc/96/85/64/1048968564.db2.gz ZYKOYZNMFKXIHP-GOSISDBHSA-N 1 2 390.409 3.766 20 30 GHEDLO N#Cc1ccc(C[N@H+]2Cc3cccnc3N3CCC[C@H]3C2)c(Br)c1 ZINC001308020333 1049771316 /nfs/dbraw/zinc/77/13/16/1049771316.db2.gz RNVSYPRNAUVQSA-KRWDZBQOSA-N 1 2 383.293 3.700 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2Cc3cccnc3N3CCC[C@H]3C2)c(Br)c1 ZINC001308020333 1049771325 /nfs/dbraw/zinc/77/13/25/1049771325.db2.gz RNVSYPRNAUVQSA-KRWDZBQOSA-N 1 2 383.293 3.700 20 30 GHEDLO Cc1cn2c([nH+]1)[C@H](Cn1c(CC(C)(C)C)nnc1N(C)[C@@H](C)CC#N)CCC2 ZINC001290288089 1049791722 /nfs/dbraw/zinc/79/17/22/1049791722.db2.gz WOZXWSVPQIRULK-IRXDYDNUSA-N 1 2 383.544 3.688 20 30 GHEDLO N#Cc1cc(F)cc(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)c1 ZINC001311104659 1051860339 /nfs/dbraw/zinc/86/03/39/1051860339.db2.gz XZVAULAVIKIZLN-PMACEKPBSA-N 1 2 375.407 3.944 20 30 GHEDLO C=CC[C@H]1N(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCCC1(C)C ZINC001311347071 1052043588 /nfs/dbraw/zinc/04/35/88/1052043588.db2.gz CTTVJMNAPXXXTQ-LEWJYISDSA-N 1 2 385.552 3.664 20 30 GHEDLO C=CC[C@H]1N(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCCC1(C)C ZINC001311347071 1052043605 /nfs/dbraw/zinc/04/36/05/1052043605.db2.gz CTTVJMNAPXXXTQ-LEWJYISDSA-N 1 2 385.552 3.664 20 30 GHEDLO CNc1cc(CNC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cc[nH+]1 ZINC001312057667 1052551053 /nfs/dbraw/zinc/55/10/53/1052551053.db2.gz HHMIZUOMZVXECM-UHFFFAOYSA-N 1 2 377.473 3.723 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CC=C(c2ccc(O)cc2)CC1 ZINC001343545764 1053864203 /nfs/dbraw/zinc/86/42/03/1053864203.db2.gz GEFMLTXGRCDBFU-HXUWFJFHSA-N 1 2 379.508 3.620 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC=C(c2ccc(O)cc2)CC1 ZINC001343545764 1053864220 /nfs/dbraw/zinc/86/42/20/1053864220.db2.gz GEFMLTXGRCDBFU-HXUWFJFHSA-N 1 2 379.508 3.620 20 30 GHEDLO C=C(C)Cn1c(C[NH+]2CCC(CO)CC2)nnc1N1Cc2ccccc2[C@@H]1CC ZINC001343580271 1053904299 /nfs/dbraw/zinc/90/42/99/1053904299.db2.gz CHSJZMLRMMWQJJ-NRFANRHFSA-N 1 2 395.551 3.530 20 30 GHEDLO C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1cc2ccccc2[nH]1 ZINC001319374387 1055210391 /nfs/dbraw/zinc/21/03/91/1055210391.db2.gz FSXAQUWNCKCZRW-UHFFFAOYSA-N 1 2 399.416 3.786 20 30 GHEDLO C[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1cc2ccccc2[nH]1 ZINC001319374387 1055210397 /nfs/dbraw/zinc/21/03/97/1055210397.db2.gz FSXAQUWNCKCZRW-UHFFFAOYSA-N 1 2 399.416 3.786 20 30 GHEDLO N#Cc1ccc(C(=O)O[C@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)[nH]1 ZINC001345759733 1055244952 /nfs/dbraw/zinc/24/49/52/1055244952.db2.gz JEKMGXFBZYUBPF-MRXNPFEDSA-N 1 2 375.215 3.988 20 30 GHEDLO CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(CC#N)cc3)c2C1 ZINC001321162725 1056128765 /nfs/dbraw/zinc/12/87/65/1056128765.db2.gz LWVPAFOAVMQZEA-MRXNPFEDSA-N 1 2 383.517 3.914 20 30 GHEDLO CC(C)[C@@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(CC#N)cc3)c2C1 ZINC001321162725 1056128769 /nfs/dbraw/zinc/12/87/69/1056128769.db2.gz LWVPAFOAVMQZEA-MRXNPFEDSA-N 1 2 383.517 3.914 20 30 GHEDLO C[C@H](c1cccc(NC(=O)Nc2ccc(OCC#N)cc2)c1)[NH+]1CCOCC1 ZINC001321805999 1056402691 /nfs/dbraw/zinc/40/26/91/1056402691.db2.gz BOFRPKSJEYKVST-MRXNPFEDSA-N 1 2 380.448 3.626 20 30 GHEDLO C[C@H](c1cc2ccccc2o1)N(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001355480497 1057178313 /nfs/dbraw/zinc/17/83/13/1057178313.db2.gz OQJDESKWJZWVCI-MRXNPFEDSA-N 1 2 392.507 3.852 20 30 GHEDLO N#CCc1ccc(S(=O)(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc1 ZINC001325711049 1057354503 /nfs/dbraw/zinc/35/45/03/1057354503.db2.gz OSRIYDDDLBCLKC-UHFFFAOYSA-N 1 2 393.468 3.720 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC001356238636 1057443079 /nfs/dbraw/zinc/44/30/79/1057443079.db2.gz JMYYWGIGTKOIOL-VAMGGRTRSA-N 1 2 398.555 3.549 20 30 GHEDLO Cn1c([C@@H]2CCCC[N@@H+]2Cc2ccccc2)nnc1N1CCC(C)(C#N)CC1 ZINC001339037707 1058933226 /nfs/dbraw/zinc/93/32/26/1058933226.db2.gz XQGHYDDCRYDIAP-IBGZPJMESA-N 1 2 378.524 3.672 20 30 GHEDLO Cn1c([C@@H]2CCCC[N@H+]2Cc2ccccc2)nnc1N1CCC(C)(C#N)CC1 ZINC001339037707 1058933229 /nfs/dbraw/zinc/93/32/29/1058933229.db2.gz XQGHYDDCRYDIAP-IBGZPJMESA-N 1 2 378.524 3.672 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@@H]1c1ccc(OCC)cc1 ZINC001339090952 1058956408 /nfs/dbraw/zinc/95/64/08/1058956408.db2.gz IXCDEZRDRKLFJR-LJQANCHMSA-N 1 2 392.507 3.529 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(Cc1cccc(F)c1)C1CC1 ZINC001339501279 1059258755 /nfs/dbraw/zinc/25/87/55/1059258755.db2.gz QBRSNFVELQUXAR-UHFFFAOYSA-N 1 2 396.514 3.699 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@H](COCc2ccccc2)C1 ZINC001339528728 1059279703 /nfs/dbraw/zinc/27/97/03/1059279703.db2.gz LNNQLIYLJBLDRG-SFTDATJTSA-N 1 2 395.551 3.664 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@H](COCc2ccccc2)C1 ZINC001339528728 1059279718 /nfs/dbraw/zinc/27/97/18/1059279718.db2.gz LNNQLIYLJBLDRG-SFTDATJTSA-N 1 2 395.551 3.664 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC001339528099 1059280008 /nfs/dbraw/zinc/28/00/08/1059280008.db2.gz CEYOQHKJFCBIJJ-HOJAQTOUSA-N 1 2 381.524 3.587 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC001339528099 1059280027 /nfs/dbraw/zinc/28/00/27/1059280027.db2.gz CEYOQHKJFCBIJJ-HOJAQTOUSA-N 1 2 381.524 3.587 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@@H](C2CCCC2)C1 ZINC001339777011 1059462807 /nfs/dbraw/zinc/46/28/07/1059462807.db2.gz KMRUZALRDZBMNM-HXUWFJFHSA-N 1 2 382.556 3.574 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC001340733108 1060082699 /nfs/dbraw/zinc/08/26/99/1060082699.db2.gz NGXUMYFZZGJZRD-VAMGGRTRSA-N 1 2 388.519 3.561 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N(C)[C@H](C)c1cc2ccccc2o1 ZINC001340733262 1060082983 /nfs/dbraw/zinc/08/29/83/1060082983.db2.gz PXKMSQZYRWGPKR-OAHLLOKOSA-N 1 2 376.464 3.732 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@H](c2ccccc2C)C1 ZINC001341037487 1060348612 /nfs/dbraw/zinc/34/86/12/1060348612.db2.gz YCVLFCTZYFLUAL-FQEVSTJZSA-N 1 2 392.551 3.693 20 30 GHEDLO CCn1c([C@@H]2CCCC[N@@H+]2Cc2ccccc2)nnc1N1CCC[C@H](C#N)C1 ZINC001341126077 1060426158 /nfs/dbraw/zinc/42/61/58/1060426158.db2.gz BHCAXAYUVOHZDJ-UXHICEINSA-N 1 2 378.524 3.765 20 30 GHEDLO CCn1c([C@@H]2CCCC[N@H+]2Cc2ccccc2)nnc1N1CCC[C@H](C#N)C1 ZINC001341126077 1060426165 /nfs/dbraw/zinc/42/61/65/1060426165.db2.gz BHCAXAYUVOHZDJ-UXHICEINSA-N 1 2 378.524 3.765 20 30 GHEDLO C[N@@H+]1CCCC[C@H]1c1nnc(N2Cc3cccc(C#N)c3C2)n1Cc1ccccc1 ZINC001341151123 1060453680 /nfs/dbraw/zinc/45/36/80/1060453680.db2.gz XLVPMXGMKDDNHI-QFIPXVFZSA-N 1 2 398.514 3.875 20 30 GHEDLO C[N@H+]1CCCC[C@H]1c1nnc(N2Cc3cccc(C#N)c3C2)n1Cc1ccccc1 ZINC001341151123 1060453684 /nfs/dbraw/zinc/45/36/84/1060453684.db2.gz XLVPMXGMKDDNHI-QFIPXVFZSA-N 1 2 398.514 3.875 20 30 GHEDLO C#C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccncc1)c1ccc(Cl)cc1F ZINC001341758568 1060870310 /nfs/dbraw/zinc/87/03/10/1060870310.db2.gz MWPGIKXRDOKONO-VQTJNVASSA-N 1 2 385.870 3.719 20 30 GHEDLO C#C[C@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1ccncc1)c1ccc(Cl)cc1F ZINC001341758568 1060870327 /nfs/dbraw/zinc/87/03/27/1060870327.db2.gz MWPGIKXRDOKONO-VQTJNVASSA-N 1 2 385.870 3.719 20 30 GHEDLO N#CC1(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)CCSCC1 ZINC001341875454 1060931739 /nfs/dbraw/zinc/93/17/39/1060931739.db2.gz LAFDEGBPEOJMQQ-UHFFFAOYSA-N 1 2 383.521 3.524 20 30 GHEDLO C=C(C)Cn1c(Nc2cccc(OC)c2)nnc1C1CC[NH+](CCC#N)CC1 ZINC001341908414 1060947359 /nfs/dbraw/zinc/94/73/59/1060947359.db2.gz STGVAGSYEAOJRM-UHFFFAOYSA-N 1 2 380.496 3.699 20 30 GHEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N(C)[C@@H](C)c1cccs1 ZINC001342013080 1060996017 /nfs/dbraw/zinc/99/60/17/1060996017.db2.gz RRJNXHMHTIDXIW-ULQDDVLXSA-N 1 2 387.553 3.649 20 30 GHEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N(C)[C@@H](C)c1cccs1 ZINC001342013080 1060996022 /nfs/dbraw/zinc/99/60/22/1060996022.db2.gz RRJNXHMHTIDXIW-ULQDDVLXSA-N 1 2 387.553 3.649 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N(C)[C@H]1CCC[C@H]1C#N ZINC001342035387 1061011236 /nfs/dbraw/zinc/01/12/36/1061011236.db2.gz MYEZOUOUFZUWMN-GBESFXJTSA-N 1 2 381.528 3.815 20 30 GHEDLO C=CCn1c(CC(C)(C)C#N)nnc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC001342053432 1061027282 /nfs/dbraw/zinc/02/72/82/1061027282.db2.gz BQNSFQCNKRZOAS-UHFFFAOYSA-N 1 2 398.942 3.532 20 30 GHEDLO C=C(C)Cn1c(-c2oc(C)nc2C)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001342186123 1061115642 /nfs/dbraw/zinc/11/56/42/1061115642.db2.gz PDKUAHDUIHQJQS-UHFFFAOYSA-N 1 2 393.495 3.602 20 30 GHEDLO C=CCn1c([C@@H]2CCC[N@@H+]2Cc2ccccc2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001342225776 1061154317 /nfs/dbraw/zinc/15/43/17/1061154317.db2.gz KZLJXZMINZODFB-REWPJTCUSA-N 1 2 390.535 3.931 20 30 GHEDLO C=CCn1c([C@@H]2CCC[N@H+]2Cc2ccccc2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001342225776 1061154321 /nfs/dbraw/zinc/15/43/21/1061154321.db2.gz KZLJXZMINZODFB-REWPJTCUSA-N 1 2 390.535 3.931 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@H](C2CCOCC2)C1 ZINC001346627351 1061744333 /nfs/dbraw/zinc/74/43/33/1061744333.db2.gz LSEPEXSTTSXSID-WOJBJXKFSA-N 1 2 387.572 3.654 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@H](C2CCOCC2)C1 ZINC001346627351 1061744337 /nfs/dbraw/zinc/74/43/37/1061744337.db2.gz LSEPEXSTTSXSID-WOJBJXKFSA-N 1 2 387.572 3.654 20 30 GHEDLO C[C@@H](c1nnc(N2CCC(C#N)CC2)n1CC1CC1)[N@H+](C)Cc1ccccc1 ZINC001346851084 1061937980 /nfs/dbraw/zinc/93/79/80/1061937980.db2.gz ZXCKGCGLTXECFC-KRWDZBQOSA-N 1 2 378.524 3.621 20 30 GHEDLO C[C@@H](c1nnc(N2CCC(C#N)CC2)n1CC1CC1)[N@@H+](C)Cc1ccccc1 ZINC001346851084 1061937981 /nfs/dbraw/zinc/93/79/81/1061937981.db2.gz ZXCKGCGLTXECFC-KRWDZBQOSA-N 1 2 378.524 3.621 20 30 GHEDLO C=C1CCN(c2nnc(Cc3[nH+]ccn3Cc3ccccc3)n2CC2CC2)CC1 ZINC001348977062 1063465971 /nfs/dbraw/zinc/46/59/71/1063465971.db2.gz XWOZGJHHCGRTQZ-UHFFFAOYSA-N 1 2 388.519 3.680 20 30 GHEDLO C#CC[C@@H]1CCCN(c2nnc([C@@H](CC(C)C)n3cc[nH+]c3)n2CC2CC2)C1 ZINC001350438156 1064085526 /nfs/dbraw/zinc/08/55/26/1064085526.db2.gz SVOOSCHGLKWSBC-UYAOXDASSA-N 1 2 380.540 3.760 20 30 GHEDLO C[C@@H]1CN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CC2CC2)[C@H]2CCCC[C@@H]12 ZINC001351500125 1064484744 /nfs/dbraw/zinc/48/47/44/1064484744.db2.gz FEJFDZIQEHIABH-QMMLZNLJSA-N 1 2 396.583 3.796 20 30 GHEDLO C=CC1CCN(c2nnc(Cc3[nH+]ccn3Cc3ccccc3)n2CC)CC1 ZINC001352356650 1064989849 /nfs/dbraw/zinc/98/98/49/1064989849.db2.gz OMBSALDMMUIQLZ-UHFFFAOYSA-N 1 2 376.508 3.536 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCc2ccccc2[C@H](C)C1 ZINC001352494550 1065080719 /nfs/dbraw/zinc/08/07/19/1065080719.db2.gz IWNAZWGUSHPMCI-GOSISDBHSA-N 1 2 392.551 3.557 20 30 GHEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC001465385747 1065579540 /nfs/dbraw/zinc/57/95/40/1065579540.db2.gz CCFCRWFRFLAZBW-LJQANCHMSA-N 1 2 394.475 3.583 20 30 GHEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC001465385747 1065579554 /nfs/dbraw/zinc/57/95/54/1065579554.db2.gz CCFCRWFRFLAZBW-LJQANCHMSA-N 1 2 394.475 3.583 20 30 GHEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC001465610321 1065744813 /nfs/dbraw/zinc/74/48/13/1065744813.db2.gz WNLCPINCBFSMKA-GOSISDBHSA-N 1 2 394.475 3.583 20 30 GHEDLO C#CCN(C)c1nnc(-c2ccc(Cl)cc2)n1CCc1cn2ccccc2[nH+]1 ZINC001358942774 1067623921 /nfs/dbraw/zinc/62/39/21/1067623921.db2.gz JMKRHSVAEAOIAP-UHFFFAOYSA-N 1 2 390.878 3.558 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(Cc3ccsc3)n2CCC2=CCCCC2)CC1 ZINC001359037772 1067660769 /nfs/dbraw/zinc/66/07/69/1067660769.db2.gz WZYHGRTTZZAHSI-UHFFFAOYSA-N 1 2 395.576 3.576 20 30 GHEDLO C#C[C@]1(C)CCCN1c1nnc(C(C)C)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001359064614 1067667488 /nfs/dbraw/zinc/66/74/88/1067667488.db2.gz WUMIXFSZUVVPFX-JOCHJYFZSA-N 1 2 392.482 3.767 20 30 GHEDLO CC(C)Cn1cc([C@H]2[N@H+](Cc3ccc(C#N)c(F)c3)CC23CCOCC3)cn1 ZINC000849480749 1067862303 /nfs/dbraw/zinc/86/23/03/1067862303.db2.gz JBOWMDFWXVWGRX-OAQYLSRUSA-N 1 2 382.483 3.904 20 30 GHEDLO CC(C)Cn1cc([C@H]2[N@@H+](Cc3ccc(C#N)c(F)c3)CC23CCOCC3)cn1 ZINC000849480749 1067862308 /nfs/dbraw/zinc/86/23/08/1067862308.db2.gz JBOWMDFWXVWGRX-OAQYLSRUSA-N 1 2 382.483 3.904 20 30 GHEDLO C=CCCN(OCc1ccccc1)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC001469139588 1067992986 /nfs/dbraw/zinc/99/29/86/1067992986.db2.gz YGBJIBRYNMHLHG-UHFFFAOYSA-N 1 2 378.476 3.905 20 30 GHEDLO C[C@H](C#N)CN(C)c1nnc(CC2CCCC2)n1CCCNc1cccc[nH+]1 ZINC001359475503 1068070119 /nfs/dbraw/zinc/07/01/19/1068070119.db2.gz LZEWNLXLQPYHNR-QGZVFWFLSA-N 1 2 381.528 3.504 20 30 GHEDLO N#C[C@H](c1ccccc1)N1CC[NH+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000769914598 1068404778 /nfs/dbraw/zinc/40/47/78/1068404778.db2.gz USJRBZBOKILCEC-IFMALSPDSA-N 1 2 394.906 3.715 20 30 GHEDLO CC1(C)Cc2c(cnn2-c2ccccc2)C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC001460534849 1068990839 /nfs/dbraw/zinc/99/08/39/1068990839.db2.gz SNFLCMAOADDZAV-UHFFFAOYSA-N 1 2 399.498 3.767 20 30 GHEDLO CC1(C)Cc2c(cnn2-c2ccccc2)C[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC001460534849 1068990840 /nfs/dbraw/zinc/99/08/40/1068990840.db2.gz SNFLCMAOADDZAV-UHFFFAOYSA-N 1 2 399.498 3.767 20 30 GHEDLO N#CCc1cccc2c1CC[N@@H+]([C@@H]1CCN(c3ccc(Cl)c(F)c3)C1=O)C2 ZINC001460568684 1068999539 /nfs/dbraw/zinc/99/95/39/1068999539.db2.gz NDMDOCZWOSYIAG-HXUWFJFHSA-N 1 2 383.854 3.709 20 30 GHEDLO N#CCc1cccc2c1CC[N@H+]([C@@H]1CCN(c3ccc(Cl)c(F)c3)C1=O)C2 ZINC001460568684 1068999546 /nfs/dbraw/zinc/99/95/46/1068999546.db2.gz NDMDOCZWOSYIAG-HXUWFJFHSA-N 1 2 383.854 3.709 20 30 GHEDLO C[N@H+](Cc1cc(C#N)cs1)[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC001460852514 1069221915 /nfs/dbraw/zinc/22/19/15/1069221915.db2.gz WBMZMFAOIXXWRT-MRXNPFEDSA-N 1 2 395.406 3.756 20 30 GHEDLO C[N@@H+](Cc1cc(C#N)cs1)[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC001460852514 1069221929 /nfs/dbraw/zinc/22/19/29/1069221929.db2.gz WBMZMFAOIXXWRT-MRXNPFEDSA-N 1 2 395.406 3.756 20 30 GHEDLO C#C[C@@H](NC(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1)c1ccccc1 ZINC001478897121 1079019886 /nfs/dbraw/zinc/01/98/86/1079019886.db2.gz VIFDIAFGCYCEDU-JOCHJYFZSA-N 1 2 384.483 3.762 20 30 GHEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2sc(C(C)(C)c3ccccc3)nc2C)C1 ZINC001471832362 1073229829 /nfs/dbraw/zinc/22/98/29/1073229829.db2.gz COFOEORTDDPDND-SFHVURJKSA-N 1 2 381.545 3.605 20 30 GHEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2sc(C(C)(C)c3ccccc3)nc2C)C1 ZINC001471832362 1073229838 /nfs/dbraw/zinc/22/98/38/1073229838.db2.gz COFOEORTDDPDND-SFHVURJKSA-N 1 2 381.545 3.605 20 30 GHEDLO CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(Cc2cc(C#N)ccn2)CC1 ZINC001473156140 1073813841 /nfs/dbraw/zinc/81/38/41/1073813841.db2.gz QCIBGNVNWRRJJL-HXUWFJFHSA-N 1 2 399.336 3.985 20 30 GHEDLO CC[C@H]1C[N@H+](Cc2cncc(C#N)c2)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001473176471 1073832926 /nfs/dbraw/zinc/83/29/26/1073832926.db2.gz MAYDZQKMCBUIOG-VXKWHMMOSA-N 1 2 392.503 3.965 20 30 GHEDLO CC[C@H]1C[N@@H+](Cc2cncc(C#N)c2)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001473176471 1073832934 /nfs/dbraw/zinc/83/29/34/1073832934.db2.gz MAYDZQKMCBUIOG-VXKWHMMOSA-N 1 2 392.503 3.965 20 30 GHEDLO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Br ZINC001473451652 1073969828 /nfs/dbraw/zinc/96/98/28/1073969828.db2.gz MOTOYGNQFFQDAM-MRXNPFEDSA-N 1 2 394.313 3.764 20 30 GHEDLO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1Br ZINC001473451652 1073969827 /nfs/dbraw/zinc/96/98/27/1073969827.db2.gz MOTOYGNQFFQDAM-MRXNPFEDSA-N 1 2 394.313 3.764 20 30 GHEDLO C#CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1sc(CC)cc1C(=O)OCC ZINC001473454400 1073971454 /nfs/dbraw/zinc/97/14/54/1073971454.db2.gz QABQGYBVSYTQCY-MRXNPFEDSA-N 1 2 398.528 3.950 20 30 GHEDLO C#CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1sc(CC)cc1C(=O)OCC ZINC001473454400 1073971455 /nfs/dbraw/zinc/97/14/55/1073971455.db2.gz QABQGYBVSYTQCY-MRXNPFEDSA-N 1 2 398.528 3.950 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC2(CC1)C[N@H+](CC1(C#N)CC1)Cc1ccccc1O2 ZINC001473829703 1074163641 /nfs/dbraw/zinc/16/36/41/1074163641.db2.gz ZOICGESVOPEZQL-UHFFFAOYSA-N 1 2 397.519 3.954 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC2(CC1)C[N@@H+](CC1(C#N)CC1)Cc1ccccc1O2 ZINC001473829703 1074163647 /nfs/dbraw/zinc/16/36/47/1074163647.db2.gz ZOICGESVOPEZQL-UHFFFAOYSA-N 1 2 397.519 3.954 20 30 GHEDLO C=CCn1ncc2ccc(NCc3ccc(OCC[NH+]4CCOCC4)cc3)cc21 ZINC001474283466 1074324872 /nfs/dbraw/zinc/32/48/72/1074324872.db2.gz VYCCVSJUEGHXAF-UHFFFAOYSA-N 1 2 392.503 3.545 20 30 GHEDLO C#CC[C@H]([NH2+]C1CCC(C)(c2cccc(Br)c2)CC1)C(=O)OC ZINC001474574346 1074468984 /nfs/dbraw/zinc/46/89/84/1074468984.db2.gz YZWDFOXTEIKAOF-HFCFLWKCSA-N 1 2 378.310 3.804 20 30 GHEDLO N#Cc1ccc(C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)Cc2cccc(F)c2)o1 ZINC000826384875 608612918 /nfs/dbraw/zinc/61/29/18/608612918.db2.gz NDYJOQZRBSEDRR-UHFFFAOYSA-N 1 2 388.406 3.673 20 30 GHEDLO N#Cc1ccc(C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)Cc2cccc(F)c2)o1 ZINC000826384875 608612920 /nfs/dbraw/zinc/61/29/20/608612920.db2.gz NDYJOQZRBSEDRR-UHFFFAOYSA-N 1 2 388.406 3.673 20 30 GHEDLO C[NH+](C)[C@@H](CNc1c(C#N)cnc2c(F)ccc(F)c21)c1c(F)cccc1F ZINC000610278610 837766057 /nfs/dbraw/zinc/76/60/57/837766057.db2.gz SVMCSFOVDXGZCM-INIZCTEOSA-N 1 2 388.368 3.800 20 30 GHEDLO CC(C)N1C(=O)C[C@H]([NH2+]C[C@H](C#N)CCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000611912876 834950991 /nfs/dbraw/zinc/95/09/91/834950991.db2.gz POFAEZJFAOCPRD-IXDGSTSKSA-N 1 2 376.863 3.563 20 30 GHEDLO C[C@H](O)C1CCN(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000329854890 835005160 /nfs/dbraw/zinc/00/51/60/835005160.db2.gz SYCXQHHIGUMRFO-KBXCAEBGSA-N 1 2 397.922 3.623 20 30 GHEDLO N#Cc1ccc(OC(F)F)c(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)c1 ZINC001125738711 835025348 /nfs/dbraw/zinc/02/53/48/835025348.db2.gz SUWHGGGPHYDXED-UHFFFAOYSA-N 1 2 399.313 3.506 20 30 GHEDLO N#Cc1ccc(C[NH2+]Cc2c(Br)cncc2Br)cc1 ZINC000394548833 835266272 /nfs/dbraw/zinc/26/62/72/835266272.db2.gz ANRIPHDQCBRXIW-UHFFFAOYSA-N 1 2 381.071 3.768 20 30 GHEDLO COC(=O)c1sc2ncc(C(=O)/C=C\c3cccc4[nH+]ccn43)cc2c1C ZINC000255711432 835663698 /nfs/dbraw/zinc/66/36/98/835663698.db2.gz AXBCFLZMVHBYRC-SREVYHEPSA-N 1 2 377.425 3.935 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@](C)(C#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000612145645 835670663 /nfs/dbraw/zinc/67/06/63/835670663.db2.gz PWNGNNODJSVANH-JENIJYKNSA-N 1 2 378.879 3.560 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)N2CCC[C@](C)(C#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000612145645 835670668 /nfs/dbraw/zinc/67/06/68/835670668.db2.gz PWNGNNODJSVANH-JENIJYKNSA-N 1 2 378.879 3.560 20 30 GHEDLO CC[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@H](C)Cc1ccsc1 ZINC000275135650 836318274 /nfs/dbraw/zinc/31/82/74/836318274.db2.gz LTXZRUNDNQVUCN-PBHICJAKSA-N 1 2 394.500 3.526 20 30 GHEDLO CC[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@H](C)Cc1ccsc1 ZINC000275135650 836318278 /nfs/dbraw/zinc/31/82/78/836318278.db2.gz LTXZRUNDNQVUCN-PBHICJAKSA-N 1 2 394.500 3.526 20 30 GHEDLO COc1cc(C)c(NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1OC ZINC000328637273 836513624 /nfs/dbraw/zinc/51/36/24/836513624.db2.gz ASVKHDHZJMCXOC-MRXNPFEDSA-N 1 2 398.507 3.970 20 30 GHEDLO C#CC[N@@H+](CC(=O)Nc1nc2ccc(F)cc2s1)[C@H]1CCc2ccccc21 ZINC001167179032 836812551 /nfs/dbraw/zinc/81/25/51/836812551.db2.gz SYCKARGQBLCPOH-SFHVURJKSA-N 1 2 379.460 3.997 20 30 GHEDLO C#CC[N@H+](CC(=O)Nc1nc2ccc(F)cc2s1)[C@H]1CCc2ccccc21 ZINC001167179032 836812561 /nfs/dbraw/zinc/81/25/61/836812561.db2.gz SYCKARGQBLCPOH-SFHVURJKSA-N 1 2 379.460 3.997 20 30 GHEDLO N#CCSc1cccc(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000175998306 837121363 /nfs/dbraw/zinc/12/13/63/837121363.db2.gz DFNGXPAJUMBJOS-UHFFFAOYSA-N 1 2 376.485 3.520 20 30 GHEDLO N#CC1(F)CC[NH+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)CC1 ZINC000510947168 844242917 /nfs/dbraw/zinc/24/29/17/844242917.db2.gz NHCGWYWWEYPENW-UHFFFAOYSA-N 1 2 383.389 3.524 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025243030 844312071 /nfs/dbraw/zinc/31/20/71/844312071.db2.gz ZNUAKADDUALNCH-CYBMUJFWSA-N 1 2 377.366 3.916 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025243030 844312082 /nfs/dbraw/zinc/31/20/82/844312082.db2.gz ZNUAKADDUALNCH-CYBMUJFWSA-N 1 2 377.366 3.916 20 30 GHEDLO CC(C)(C)OC(=O)N1CCN(c2[nH+]cccc2Nc2ccc(F)cc2C#N)CC1 ZINC001210551399 838501157 /nfs/dbraw/zinc/50/11/57/838501157.db2.gz PIIJGYUXXVYHOO-UHFFFAOYSA-N 1 2 397.454 3.893 20 30 GHEDLO COc1ccc(C[N@@H+]2CCO[C@H](c3ccc(Br)cc3)C2)cc1C#N ZINC000135003779 838505597 /nfs/dbraw/zinc/50/55/97/838505597.db2.gz AMTOLONIMVFYDF-IBGZPJMESA-N 1 2 387.277 3.903 20 30 GHEDLO COc1ccc(C[N@H+]2CCO[C@H](c3ccc(Br)cc3)C2)cc1C#N ZINC000135003779 838505601 /nfs/dbraw/zinc/50/56/01/838505601.db2.gz AMTOLONIMVFYDF-IBGZPJMESA-N 1 2 387.277 3.903 20 30 GHEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000053281545 838638218 /nfs/dbraw/zinc/63/82/18/838638218.db2.gz BJDJDIQCKGALFB-WMLDXEAASA-N 1 2 378.314 3.594 20 30 GHEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000053281545 838638221 /nfs/dbraw/zinc/63/82/21/838638221.db2.gz BJDJDIQCKGALFB-WMLDXEAASA-N 1 2 378.314 3.594 20 30 GHEDLO C[C@@H]([NH2+]Cc1nnnn1CC(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000377198111 839081027 /nfs/dbraw/zinc/08/10/27/839081027.db2.gz SMTABONJEZZSDJ-CYBMUJFWSA-N 1 2 386.381 3.625 20 30 GHEDLO Cc1ccc(C#N)cc1NC(=O)N1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000275824599 839248788 /nfs/dbraw/zinc/24/87/88/839248788.db2.gz UYEWDVHVYQHMQX-SFHVURJKSA-N 1 2 395.532 3.842 20 30 GHEDLO Cc1ccc(C#N)cc1NC(=O)N1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000275824599 839248804 /nfs/dbraw/zinc/24/88/04/839248804.db2.gz UYEWDVHVYQHMQX-SFHVURJKSA-N 1 2 395.532 3.842 20 30 GHEDLO N#Cc1cc(Oc2ccc(NC(=O)NCc3ccn4cc[nH+]c4c3)cc2)ccn1 ZINC000580647228 839944620 /nfs/dbraw/zinc/94/46/20/839944620.db2.gz SEDAEEMZFSMZQK-UHFFFAOYSA-N 1 2 384.399 3.715 20 30 GHEDLO N#C[C@H]1CC[C@@H](NC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000581008252 840587788 /nfs/dbraw/zinc/58/77/88/840587788.db2.gz MBPZOQBUOQORBX-VBQJREDUSA-N 1 2 378.879 3.607 20 30 GHEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@@H]3c3ncc[nH]3)sc2C1 ZINC000334047016 841081166 /nfs/dbraw/zinc/08/11/66/841081166.db2.gz QJXCXZTUSAHJFB-CZUORRHYSA-N 1 2 383.521 3.633 20 30 GHEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCC[C@@H]3c3ncc[nH]3)sc2C1 ZINC000334047016 841081175 /nfs/dbraw/zinc/08/11/75/841081175.db2.gz QJXCXZTUSAHJFB-CZUORRHYSA-N 1 2 383.521 3.633 20 30 GHEDLO CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000046019320 841920310 /nfs/dbraw/zinc/92/03/10/841920310.db2.gz VNUAVXGCRCYPJJ-UHFFFAOYSA-N 1 2 387.487 3.925 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)cc1Cl ZINC000477490198 842190172 /nfs/dbraw/zinc/19/01/72/842190172.db2.gz LOXNISITVIIOTB-KRWDZBQOSA-N 1 2 383.835 3.716 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)cc1Cl ZINC000477490198 842190176 /nfs/dbraw/zinc/19/01/76/842190176.db2.gz LOXNISITVIIOTB-KRWDZBQOSA-N 1 2 383.835 3.716 20 30 GHEDLO COc1cc(F)c(F)cc1C[NH+]1CCC(Oc2ccc(C#N)cc2OC)CC1 ZINC001143399914 842357410 /nfs/dbraw/zinc/35/74/10/842357410.db2.gz DXUNCDAUGIFVBE-UHFFFAOYSA-N 1 2 388.414 3.897 20 30 GHEDLO Cc1ccc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)cc1[N+](=O)[O-] ZINC000512404422 843705647 /nfs/dbraw/zinc/70/56/47/843705647.db2.gz SDKXJDSUODBPRW-UHFFFAOYSA-N 1 2 387.443 3.645 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000512818733 843813979 /nfs/dbraw/zinc/81/39/79/843813979.db2.gz XZOROZKYSZVTQC-STQMWFEESA-N 1 2 397.491 3.777 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@H](COC(F)F)C1 ZINC000512818733 843813990 /nfs/dbraw/zinc/81/39/90/843813990.db2.gz XZOROZKYSZVTQC-STQMWFEESA-N 1 2 397.491 3.777 20 30 GHEDLO COC(=O)c1cc([C@@H](C)[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)oc1C ZINC000433205400 843830170 /nfs/dbraw/zinc/83/01/70/843830170.db2.gz DRLJQMPSTDNNAA-CYBMUJFWSA-N 1 2 387.867 3.783 20 30 GHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCc3c(CC#N)cccc3C2)c1C ZINC000599677985 861475823 /nfs/dbraw/zinc/47/58/23/861475823.db2.gz FMYKPYXBGRDUIH-UHFFFAOYSA-N 1 2 386.499 3.675 20 30 GHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCc3c(CC#N)cccc3C2)c1C ZINC000599677985 861475826 /nfs/dbraw/zinc/47/58/26/861475826.db2.gz FMYKPYXBGRDUIH-UHFFFAOYSA-N 1 2 386.499 3.675 20 30 GHEDLO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678318 861475999 /nfs/dbraw/zinc/47/59/99/861475999.db2.gz SUYIHCHASCLWNA-UHFFFAOYSA-N 1 2 388.515 3.658 20 30 GHEDLO Cc1cc(N2CCCC2)ccc1NC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678318 861476005 /nfs/dbraw/zinc/47/60/05/861476005.db2.gz SUYIHCHASCLWNA-UHFFFAOYSA-N 1 2 388.515 3.658 20 30 GHEDLO CC(C)N1CCC2(CC[NH+](Cc3cc(Br)ccc3C#N)CC2)C1=O ZINC001141907963 861504768 /nfs/dbraw/zinc/50/47/68/861504768.db2.gz VBPHIXFKRPIRDD-UHFFFAOYSA-N 1 2 390.325 3.544 20 30 GHEDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CCC[C@@H]1C1CCOCC1 ZINC000329491455 861537379 /nfs/dbraw/zinc/53/73/79/861537379.db2.gz SUMHHBNAAGDXSF-QGZVFWFLSA-N 1 2 378.542 3.566 20 30 GHEDLO N#CCc1ccc(OCc2cccc(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)c2)cc1 ZINC000151512340 845248992 /nfs/dbraw/zinc/24/89/92/845248992.db2.gz VHVYQRMFWCAWDO-LJQANCHMSA-N 1 2 386.455 3.729 20 30 GHEDLO CCCCc1nc(CO[NH+]=C(N)c2ccc(COc3ccccc3F)cc2)no1 ZINC000731445310 861620610 /nfs/dbraw/zinc/62/06/10/861620610.db2.gz HFXOVQAVXOEHQW-UHFFFAOYSA-N 1 2 398.438 3.967 20 30 GHEDLO C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000531099954 846199510 /nfs/dbraw/zinc/19/95/10/846199510.db2.gz DUPJMUYADSVSDN-NRFANRHFSA-N 1 2 395.478 3.735 20 30 GHEDLO C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000531099954 846199514 /nfs/dbraw/zinc/19/95/14/846199514.db2.gz DUPJMUYADSVSDN-NRFANRHFSA-N 1 2 395.478 3.735 20 30 GHEDLO CC(C)COc1ccccc1C[N@@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000513665281 846231670 /nfs/dbraw/zinc/23/16/70/846231670.db2.gz COEAFDZEOYRDAI-JPYJTQIMSA-N 1 2 375.472 3.567 20 30 GHEDLO CC(C)COc1ccccc1C[N@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000513665281 846231683 /nfs/dbraw/zinc/23/16/83/846231683.db2.gz COEAFDZEOYRDAI-JPYJTQIMSA-N 1 2 375.472 3.567 20 30 GHEDLO Cc1nc2ccccc2n1C1CC[NH+](CC(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000280226208 846337919 /nfs/dbraw/zinc/33/79/19/846337919.db2.gz LVQBZXPQGVNYRI-UHFFFAOYSA-N 1 2 391.475 3.702 20 30 GHEDLO N#CCC[C@H](C#N)C[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000566232104 846374705 /nfs/dbraw/zinc/37/47/05/846374705.db2.gz YSVRWLKLWQQPRT-QMTHXVAHSA-N 1 2 390.203 3.534 20 30 GHEDLO CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cccc(C[NH+]3CCCCC3)c2)n1 ZINC000420246144 847072145 /nfs/dbraw/zinc/07/21/45/847072145.db2.gz RSJWENIWHCYKHQ-KRWDZBQOSA-N 1 2 397.500 3.796 20 30 GHEDLO Cc1oc(NC(=O)C[N@@H+](C)Cc2ccc(OCC(F)(F)F)cc2)c(C#N)c1C ZINC000511127689 847271365 /nfs/dbraw/zinc/27/13/65/847271365.db2.gz VHOSYFZKEXBUEK-UHFFFAOYSA-N 1 2 395.381 3.780 20 30 GHEDLO Cc1oc(NC(=O)C[N@H+](C)Cc2ccc(OCC(F)(F)F)cc2)c(C#N)c1C ZINC000511127689 847271375 /nfs/dbraw/zinc/27/13/75/847271375.db2.gz VHOSYFZKEXBUEK-UHFFFAOYSA-N 1 2 395.381 3.780 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(OC(F)F)cc3)CC2)cc1 ZINC000511166484 847657570 /nfs/dbraw/zinc/65/75/70/847657570.db2.gz GGGJEPJZXAJWTQ-UHFFFAOYSA-N 1 2 386.402 3.509 20 30 GHEDLO Cc1cc(CNC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc(C)[nH+]1 ZINC000421094618 847715687 /nfs/dbraw/zinc/71/56/87/847715687.db2.gz IEONFGJMMSWSNH-UHFFFAOYSA-N 1 2 391.475 3.603 20 30 GHEDLO N#Cc1ccc(C2=CC[N@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC2)cc1 ZINC000502501019 847942958 /nfs/dbraw/zinc/94/29/58/847942958.db2.gz MQTSIAFKOJJGNX-UHFFFAOYSA-N 1 2 387.399 3.806 20 30 GHEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC2)cc1 ZINC000502501019 847942966 /nfs/dbraw/zinc/94/29/66/847942966.db2.gz MQTSIAFKOJJGNX-UHFFFAOYSA-N 1 2 387.399 3.806 20 30 GHEDLO C[C@H]1CO[C@@H](c2noc(Cc3c(F)cccc3C#N)n2)C[N@@H+]1Cc1ccccc1 ZINC000582931777 848721320 /nfs/dbraw/zinc/72/13/20/848721320.db2.gz WSCWGUIVOKDBSQ-MGPUTAFESA-N 1 2 392.434 3.633 20 30 GHEDLO C[C@H]1CO[C@@H](c2noc(Cc3c(F)cccc3C#N)n2)C[N@H+]1Cc1ccccc1 ZINC000582931777 848721323 /nfs/dbraw/zinc/72/13/23/848721323.db2.gz WSCWGUIVOKDBSQ-MGPUTAFESA-N 1 2 392.434 3.633 20 30 GHEDLO C[C@H]1CO[C@H](c2noc(Cc3c(F)cccc3C#N)n2)C[N@@H+]1Cc1ccccc1 ZINC000582931779 848721357 /nfs/dbraw/zinc/72/13/57/848721357.db2.gz WSCWGUIVOKDBSQ-YWZLYKJASA-N 1 2 392.434 3.633 20 30 GHEDLO C[C@H]1CO[C@H](c2noc(Cc3c(F)cccc3C#N)n2)C[N@H+]1Cc1ccccc1 ZINC000582931779 848721361 /nfs/dbraw/zinc/72/13/61/848721361.db2.gz WSCWGUIVOKDBSQ-YWZLYKJASA-N 1 2 392.434 3.633 20 30 GHEDLO N#CCc1ccc(Oc2ccc(C(=O)N3CC[NH2+][C@@H](c4cccnc4)C3)cc2)cc1 ZINC000505535199 849805224 /nfs/dbraw/zinc/80/52/24/849805224.db2.gz AJJFXYMAUFDWCB-HSZRJFAPSA-N 1 2 398.466 3.727 20 30 GHEDLO COc1cccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)c1OC(C)C ZINC000434988350 849974827 /nfs/dbraw/zinc/97/48/27/849974827.db2.gz RHAVPPIUUBRPAJ-NRFANRHFSA-N 1 2 379.504 3.865 20 30 GHEDLO N#Cc1ccsc1NC(=O)CC[NH+]1CCN(c2ccc(F)cc2Cl)CC1 ZINC000153462477 862142248 /nfs/dbraw/zinc/14/22/48/862142248.db2.gz TYNDARGUBXVGPI-UHFFFAOYSA-N 1 2 392.887 3.563 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[C@H](C#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000425494016 851340724 /nfs/dbraw/zinc/34/07/24/851340724.db2.gz WORXMKCSZZNAOL-YENGBRFLSA-N 1 2 378.879 3.606 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[C@H](C#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000425494016 851340732 /nfs/dbraw/zinc/34/07/32/851340732.db2.gz WORXMKCSZZNAOL-YENGBRFLSA-N 1 2 378.879 3.606 20 30 GHEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000329725597 862239796 /nfs/dbraw/zinc/23/97/96/862239796.db2.gz OFGFYOLTDMDUMW-RHSMWYFYSA-N 1 2 389.297 3.781 20 30 GHEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000910936371 851462557 /nfs/dbraw/zinc/46/25/57/851462557.db2.gz USHHQGILNBQYBJ-QFIPXVFZSA-N 1 2 385.471 3.674 20 30 GHEDLO O=C(NCCCCNc1cccc[nH+]1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000111771240 851927981 /nfs/dbraw/zinc/92/79/81/851927981.db2.gz WPOCXEDRZJEEEY-UHFFFAOYSA-N 1 2 385.471 3.890 20 30 GHEDLO C=CCn1cccc1C(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC ZINC000489043275 851961109 /nfs/dbraw/zinc/96/11/09/851961109.db2.gz QPZXIZRBZOOZMA-XMSQKQJNSA-N 1 2 380.536 3.750 20 30 GHEDLO C=CCn1cccc1C(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC ZINC000489043275 851961118 /nfs/dbraw/zinc/96/11/18/851961118.db2.gz QPZXIZRBZOOZMA-XMSQKQJNSA-N 1 2 380.536 3.750 20 30 GHEDLO CCCCCOc1cc(C[NH+]2CCN(c3ncccc3C#N)CC2)ccc1OC ZINC000506245561 852454530 /nfs/dbraw/zinc/45/45/30/852454530.db2.gz LKSYLSZTJDTLDA-UHFFFAOYSA-N 1 2 394.519 3.853 20 30 GHEDLO N#CCC[C@H]([NH2+]Cc1sc(N2CCOCC2)nc1Cl)c1ccccc1 ZINC000894358334 852590943 /nfs/dbraw/zinc/59/09/43/852590943.db2.gz HLZJWKUXVZJTAV-HNNXBMFYSA-N 1 2 376.913 3.768 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(-c4ccc(F)cc4)no3)CC2)c(F)c1 ZINC000507185354 852636197 /nfs/dbraw/zinc/63/61/97/852636197.db2.gz WYIHRLFOHXRPCG-UHFFFAOYSA-N 1 2 380.398 3.814 20 30 GHEDLO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507295593 852757907 /nfs/dbraw/zinc/75/79/07/852757907.db2.gz IMJPKKNROPTCAI-DLBZAZTESA-N 1 2 396.922 3.600 20 30 GHEDLO Cn1cc(C[NH+]2CCN(c3ccccc3C#N)CC2)c(-c2ccccc2Cl)n1 ZINC000506398626 852969586 /nfs/dbraw/zinc/96/95/86/852969586.db2.gz YGQDKFURWPBMBO-UHFFFAOYSA-N 1 2 391.906 3.934 20 30 GHEDLO Cc1c(Cl)c(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)nc2ccccc12 ZINC000029445992 853112457 /nfs/dbraw/zinc/11/24/57/853112457.db2.gz JRHPJVFIIDSKJU-UHFFFAOYSA-N 1 2 377.879 3.786 20 30 GHEDLO Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000329953701 862452956 /nfs/dbraw/zinc/45/29/56/862452956.db2.gz NKNYGVXLZNPJAZ-WJMWBRGCSA-N 1 2 382.508 3.909 20 30 GHEDLO Cc1ccc([C@@H]2OCCC[C@@H]2[NH+]=C([O-])N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000329953701 862452962 /nfs/dbraw/zinc/45/29/62/862452962.db2.gz NKNYGVXLZNPJAZ-WJMWBRGCSA-N 1 2 382.508 3.909 20 30 GHEDLO Cc1ccc2[nH+]cc(/C=C/C(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)n2c1 ZINC000151423341 853405273 /nfs/dbraw/zinc/40/52/73/853405273.db2.gz IBGSMYIABXHZPE-AATRIKPKSA-N 1 2 380.360 3.972 20 30 GHEDLO CC[C@H]1C[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)CCCO1 ZINC000439493663 853703424 /nfs/dbraw/zinc/70/34/24/853703424.db2.gz NILWUYQRHQMWRM-IBGZPJMESA-N 1 2 386.540 3.921 20 30 GHEDLO CC[C@H]1C[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)CCCO1 ZINC000439493663 853703426 /nfs/dbraw/zinc/70/34/26/853703426.db2.gz NILWUYQRHQMWRM-IBGZPJMESA-N 1 2 386.540 3.921 20 30 GHEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C2CCC(NC(=O)C3CC3)CC2)CC1 ZINC000330012319 862506510 /nfs/dbraw/zinc/50/65/10/862506510.db2.gz KJHHYUYKOJALPX-DMKPSLHHSA-N 1 2 389.565 3.879 20 30 GHEDLO CC(C)[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1cc(Br)ccc1F ZINC000520174246 853932661 /nfs/dbraw/zinc/93/26/61/853932661.db2.gz ZZMYNHVZWLQRMR-SFHVURJKSA-N 1 2 396.304 3.607 20 30 GHEDLO CC(C)[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1cc(Br)ccc1F ZINC000520174246 853932664 /nfs/dbraw/zinc/93/26/64/853932664.db2.gz ZZMYNHVZWLQRMR-SFHVURJKSA-N 1 2 396.304 3.607 20 30 GHEDLO Cc1cccn2cc(CCNc3c(C#N)cnc4c(F)c(F)c(F)cc43)[nH+]c12 ZINC000587989962 854059585 /nfs/dbraw/zinc/05/95/85/854059585.db2.gz LFDOXQAJOIQGIX-UHFFFAOYSA-N 1 2 381.361 3.556 20 30 GHEDLO N#Cc1ccc(C2(c3nc(-c4ccccc4C[NH+]4CCOCC4)no3)CC2)cc1 ZINC000571917582 854186863 /nfs/dbraw/zinc/18/68/63/854186863.db2.gz ISEZRCRXVNFUHG-UHFFFAOYSA-N 1 2 386.455 3.520 20 30 GHEDLO N#CCCN(C(=O)C[N@H+]1Cc2ccc(O)cc2C2(CC2)C1)c1cccc(Cl)c1 ZINC000571937860 854235243 /nfs/dbraw/zinc/23/52/43/854235243.db2.gz LMNSXHSPAQOLEA-UHFFFAOYSA-N 1 2 395.890 3.840 20 30 GHEDLO N#CCCN(C(=O)C[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1)c1cccc(Cl)c1 ZINC000571937860 854235251 /nfs/dbraw/zinc/23/52/51/854235251.db2.gz LMNSXHSPAQOLEA-UHFFFAOYSA-N 1 2 395.890 3.840 20 30 GHEDLO O=C(C[N@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1)NC1CCCCCC1 ZINC000330082125 862560234 /nfs/dbraw/zinc/56/02/34/862560234.db2.gz PXUHWMHFNSMWJS-UHFFFAOYSA-N 1 2 389.515 3.582 20 30 GHEDLO O=C(C[N@@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1)NC1CCCCCC1 ZINC000330082125 862560246 /nfs/dbraw/zinc/56/02/46/862560246.db2.gz PXUHWMHFNSMWJS-UHFFFAOYSA-N 1 2 389.515 3.582 20 30 GHEDLO Cc1cn2cc(NC(=O)N3CCC(N4CCc5cc(F)ccc54)CC3)ccc2[nH+]1 ZINC000328673780 854499047 /nfs/dbraw/zinc/49/90/47/854499047.db2.gz JIPUAJNPTCNCGO-UHFFFAOYSA-N 1 2 393.466 3.854 20 30 GHEDLO CO[C@@]1(C)C[C@H](NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1(C)C ZINC000328831759 854565838 /nfs/dbraw/zinc/56/58/38/854565838.db2.gz VFBXPWODWHSLMI-AVRDEDQJSA-N 1 2 380.492 3.941 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(c3cc(Br)c(C#N)cc3F)CC2)cc1 ZINC000589104390 854686567 /nfs/dbraw/zinc/68/65/67/854686567.db2.gz ZJVARZUNGVDNBP-UHFFFAOYSA-N 1 2 399.267 3.654 20 30 GHEDLO C#CCOc1ccccc1NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000186263527 854810725 /nfs/dbraw/zinc/81/07/25/854810725.db2.gz HZTSGYVDOZDYCS-HDICACEKSA-N 1 2 393.487 3.952 20 30 GHEDLO C#CCOc1ccccc1NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000186263527 854810730 /nfs/dbraw/zinc/81/07/30/854810730.db2.gz HZTSGYVDOZDYCS-HDICACEKSA-N 1 2 393.487 3.952 20 30 GHEDLO C=CCOc1cccc(NC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c1 ZINC000056772297 855029312 /nfs/dbraw/zinc/02/93/12/855029312.db2.gz YURRKNRNUFZDCW-UHFFFAOYSA-N 1 2 395.507 3.827 20 30 GHEDLO Cc1occc1C[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000055054104 855261691 /nfs/dbraw/zinc/26/16/91/855261691.db2.gz DLMMTUWQHRMPMQ-UHFFFAOYSA-N 1 2 390.487 3.997 20 30 GHEDLO Cc1occc1C[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000055054104 855261696 /nfs/dbraw/zinc/26/16/96/855261696.db2.gz DLMMTUWQHRMPMQ-UHFFFAOYSA-N 1 2 390.487 3.997 20 30 GHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@H](C)Oc2ccccc2C#N)c(C)c1 ZINC000441505785 855507545 /nfs/dbraw/zinc/50/75/45/855507545.db2.gz YXIPWVSWBSNZNL-RXVVDRJESA-N 1 2 388.471 3.697 20 30 GHEDLO Cc1nc([C@@H]2CCCOC2)sc1C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000330243192 862687846 /nfs/dbraw/zinc/68/78/46/862687846.db2.gz JPFKMYKLNNGIEB-OFQRWUPVSA-N 1 2 395.569 3.538 20 30 GHEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000590952855 855672031 /nfs/dbraw/zinc/67/20/31/855672031.db2.gz QVMAMWDNADSXPV-UHFFFAOYSA-N 1 2 389.415 3.896 20 30 GHEDLO N#Cc1ccc(OC2CCC(Nc3cc(N4CCCCC4)nc[nH+]3)CC2)nc1 ZINC000301920310 855782006 /nfs/dbraw/zinc/78/20/06/855782006.db2.gz IYUVACMSOSXDCE-UHFFFAOYSA-N 1 2 378.480 3.536 20 30 GHEDLO N#Cc1ccc(OC2CCC(Nc3cc(N4CCCCC4)[nH+]cn3)CC2)nc1 ZINC000301920310 855782012 /nfs/dbraw/zinc/78/20/12/855782012.db2.gz IYUVACMSOSXDCE-UHFFFAOYSA-N 1 2 378.480 3.536 20 30 GHEDLO CC(C)Oc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000057759840 856018328 /nfs/dbraw/zinc/01/83/28/856018328.db2.gz PTAFXEONYHZMOM-UHFFFAOYSA-N 1 2 378.476 3.695 20 30 GHEDLO CN(CC1C[NH+](Cc2cc(C#N)ccc2Br)C1)C(=O)OC(C)(C)C ZINC001141655669 856091162 /nfs/dbraw/zinc/09/11/62/856091162.db2.gz FOFTUSDNGWCURS-UHFFFAOYSA-N 1 2 394.313 3.619 20 30 GHEDLO C#CC[N@@H+](Cc1c(C)nn(C)c1C)[C@H]1CCOc2ccc(Br)cc21 ZINC000733195246 862775768 /nfs/dbraw/zinc/77/57/68/862775768.db2.gz HVCZGKFDAKPYQM-SFHVURJKSA-N 1 2 388.309 3.758 20 30 GHEDLO C#CC[N@H+](Cc1c(C)nn(C)c1C)[C@H]1CCOc2ccc(Br)cc21 ZINC000733195246 862775773 /nfs/dbraw/zinc/77/57/73/862775773.db2.gz HVCZGKFDAKPYQM-SFHVURJKSA-N 1 2 388.309 3.758 20 30 GHEDLO O=C1[C@H]([N@@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)CCCN1c1cccc(F)c1 ZINC000674462020 856308450 /nfs/dbraw/zinc/30/84/50/856308450.db2.gz DMUIVJDZBLVISF-HZSPNIEDSA-N 1 2 398.322 3.994 20 30 GHEDLO O=C1[C@H]([N@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)CCCN1c1cccc(F)c1 ZINC000674462020 856308458 /nfs/dbraw/zinc/30/84/58/856308458.db2.gz DMUIVJDZBLVISF-HZSPNIEDSA-N 1 2 398.322 3.994 20 30 GHEDLO C[C@@H]1CCN(c2c(C#N)cnc3ccc(OC(F)F)cc32)C[C@@H]1n1cc[nH+]c1 ZINC000134059200 862826454 /nfs/dbraw/zinc/82/64/54/862826454.db2.gz YUWBHZVHFITWAF-ACJLOTCBSA-N 1 2 383.402 3.992 20 30 GHEDLO COCC[N@H+](Cc1cn2cc(Br)ccc2n1)Cc1ccc(C#N)cc1 ZINC000058398308 856747426 /nfs/dbraw/zinc/74/74/26/856747426.db2.gz ZUBTYDHFVZAQLW-UHFFFAOYSA-N 1 2 399.292 3.617 20 30 GHEDLO COCC[N@@H+](Cc1cn2cc(Br)ccc2n1)Cc1ccc(C#N)cc1 ZINC000058398308 856747433 /nfs/dbraw/zinc/74/74/33/856747433.db2.gz ZUBTYDHFVZAQLW-UHFFFAOYSA-N 1 2 399.292 3.617 20 30 GHEDLO CN(C(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1)c1nc2ccccc2s1 ZINC000173260732 856822680 /nfs/dbraw/zinc/82/26/80/856822680.db2.gz FFGNQANSVRLUAW-UHFFFAOYSA-N 1 2 376.485 3.795 20 30 GHEDLO CN(C(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1)c1nc2ccccc2s1 ZINC000173260732 856822691 /nfs/dbraw/zinc/82/26/91/856822691.db2.gz FFGNQANSVRLUAW-UHFFFAOYSA-N 1 2 376.485 3.795 20 30 GHEDLO COc1cccc(COc2cccc(Cl)c2C[N@@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592521715 856918021 /nfs/dbraw/zinc/91/80/21/856918021.db2.gz BJODMUMTHARNBL-NRFANRHFSA-N 1 2 386.879 3.778 20 30 GHEDLO COc1cccc(COc2cccc(Cl)c2C[N@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592521715 856918028 /nfs/dbraw/zinc/91/80/28/856918028.db2.gz BJODMUMTHARNBL-NRFANRHFSA-N 1 2 386.879 3.778 20 30 GHEDLO COc1ccc(C#N)cc1NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000442192425 857581881 /nfs/dbraw/zinc/58/18/81/857581881.db2.gz FSZUXBXEYCOLNP-FQEVSTJZSA-N 1 2 389.459 3.943 20 30 GHEDLO COC(=O)c1cccc(C[NH2+][C@H](CC(=O)OC(C)C)c2ccc(C)cc2)c1C#N ZINC000543061034 858136451 /nfs/dbraw/zinc/13/64/51/858136451.db2.gz DAZYTMWNKNMZQQ-OAQYLSRUSA-N 1 2 394.471 3.826 20 30 GHEDLO N#Cc1ccc(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cc1O ZINC000442876698 858198752 /nfs/dbraw/zinc/19/87/52/858198752.db2.gz VRHIGSBKFPPMAO-KRWDZBQOSA-N 1 2 387.842 3.623 20 30 GHEDLO C[N@H+](Cc1ccccc1NS(=O)(=O)c1cccnc1C#N)C1CCCCC1 ZINC000428263074 858214584 /nfs/dbraw/zinc/21/45/84/858214584.db2.gz ROIHGDJUYCOCFW-UHFFFAOYSA-N 1 2 384.505 3.519 20 30 GHEDLO C[N@@H+](Cc1ccccc1NS(=O)(=O)c1cccnc1C#N)C1CCCCC1 ZINC000428263074 858214588 /nfs/dbraw/zinc/21/45/88/858214588.db2.gz ROIHGDJUYCOCFW-UHFFFAOYSA-N 1 2 384.505 3.519 20 30 GHEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)C1 ZINC000595608989 858630206 /nfs/dbraw/zinc/63/02/06/858630206.db2.gz DLXIBLPFMXPFLK-DOTOQJQBSA-N 1 2 382.489 3.644 20 30 GHEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)C1 ZINC000595608989 858630214 /nfs/dbraw/zinc/63/02/14/858630214.db2.gz DLXIBLPFMXPFLK-DOTOQJQBSA-N 1 2 382.489 3.644 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c1C#N ZINC000593115245 858659981 /nfs/dbraw/zinc/65/99/81/858659981.db2.gz BIGPKCGISDXQDK-LJQANCHMSA-N 1 2 376.451 3.761 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC[C@@]3(CC3(F)F)C2)c1C#N ZINC000593115245 858659984 /nfs/dbraw/zinc/65/99/84/858659984.db2.gz BIGPKCGISDXQDK-LJQANCHMSA-N 1 2 376.451 3.761 20 30 GHEDLO C#CCCOc1ccc(C[NH2+]C2(c3ncc(Br)cn3)CCC2)cc1 ZINC000922999886 858923675 /nfs/dbraw/zinc/92/36/75/858923675.db2.gz HSHFOFNEUNGFPN-UHFFFAOYSA-N 1 2 386.293 3.810 20 30 GHEDLO COC[C@@H]([NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N)c1ccc(C)o1 ZINC000184704032 858984946 /nfs/dbraw/zinc/98/49/46/858984946.db2.gz KKZIUZGFQYGMSE-RHSMWYFYSA-N 1 2 387.505 3.756 20 30 GHEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000596726664 859057378 /nfs/dbraw/zinc/05/73/78/859057378.db2.gz KQBFUYUPBXWWDA-SJORKVTESA-N 1 2 394.475 3.581 20 30 GHEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000596726664 859057393 /nfs/dbraw/zinc/05/73/93/859057393.db2.gz KQBFUYUPBXWWDA-SJORKVTESA-N 1 2 394.475 3.581 20 30 GHEDLO C[C@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)Sc1ccccc1 ZINC000466311183 859080167 /nfs/dbraw/zinc/08/01/67/859080167.db2.gz REAUAXLLYXBBFC-GOSISDBHSA-N 1 2 394.544 3.566 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2SCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000764063140 859166127 /nfs/dbraw/zinc/16/61/27/859166127.db2.gz DUZQSZLFEWNLGA-IEBWSBKVSA-N 1 2 387.455 3.756 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)c2ccccc2SCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000764063140 859166135 /nfs/dbraw/zinc/16/61/35/859166135.db2.gz DUZQSZLFEWNLGA-IEBWSBKVSA-N 1 2 387.455 3.756 20 30 GHEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000474155254 859354806 /nfs/dbraw/zinc/35/48/06/859354806.db2.gz QTZPSNNRKSJSIG-WSTZPKSXSA-N 1 2 382.907 3.959 20 30 GHEDLO C=C[C@](C)(CCOC)C(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000474155254 859354816 /nfs/dbraw/zinc/35/48/16/859354816.db2.gz QTZPSNNRKSJSIG-WSTZPKSXSA-N 1 2 382.907 3.959 20 30 GHEDLO CCOc1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)ccc1OCC(=O)Nc1ccccc1 ZINC000597231150 859365767 /nfs/dbraw/zinc/36/57/67/859365767.db2.gz WPBDNTFLFVBUQF-QHCPKHFHSA-N 1 2 393.487 3.838 20 30 GHEDLO CCOc1cc(C[N@H+]2CC[C@@](C)(C#N)C2)ccc1OCC(=O)Nc1ccccc1 ZINC000597231150 859365772 /nfs/dbraw/zinc/36/57/72/859365772.db2.gz WPBDNTFLFVBUQF-QHCPKHFHSA-N 1 2 393.487 3.838 20 30 GHEDLO CC(=[NH+]NCc1cc(F)ccc1F)c1ccc(N2CCOCC2)cc1Cl ZINC000764683116 859566209 /nfs/dbraw/zinc/56/62/09/859566209.db2.gz RLSTWXPYOQULGS-UHFFFAOYSA-N 1 2 379.838 3.969 20 30 GHEDLO CC[C@H](c1nnc(SC[C@H](O)CC2(C#N)CC2)n1C1CCCCC1)[NH+](C)C ZINC000601954293 859657456 /nfs/dbraw/zinc/65/74/56/859657456.db2.gz QQOMJHLKXZKJDQ-IAGOWNOFSA-N 1 2 391.585 3.943 20 30 GHEDLO N#Cc1cc(CN2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)ccn1 ZINC000611225677 859658134 /nfs/dbraw/zinc/65/81/34/859658134.db2.gz ODLDTJJPYHRIJE-UHFFFAOYSA-N 1 2 375.303 3.620 20 30 GHEDLO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCc3ccccc3[C@H]2C(N)=O)c1 ZINC000611266479 859673693 /nfs/dbraw/zinc/67/36/93/859673693.db2.gz AWUDXOZOSFEPRV-DEOSSOPVSA-N 1 2 397.478 3.722 20 30 GHEDLO N#Cc1ccccc1COc1cccc(C[N@H+]2CCc3ccccc3[C@H]2C(N)=O)c1 ZINC000611266479 859673695 /nfs/dbraw/zinc/67/36/95/859673695.db2.gz AWUDXOZOSFEPRV-DEOSSOPVSA-N 1 2 397.478 3.722 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+]2CC[C@@H](c3ccccc3C)C2)c1=S ZINC000764963340 859710585 /nfs/dbraw/zinc/71/05/85/859710585.db2.gz LZUMQNCYJTUZFW-QGZVFWFLSA-N 1 2 392.532 3.813 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+]2CC[C@@H](c3ccccc3C)C2)c1=S ZINC000764963340 859710592 /nfs/dbraw/zinc/71/05/92/859710592.db2.gz LZUMQNCYJTUZFW-QGZVFWFLSA-N 1 2 392.532 3.813 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H](c3nncn3C(C)C)C2)c1C#N ZINC000611347379 859721640 /nfs/dbraw/zinc/72/16/40/859721640.db2.gz DREIAXYNOCVKKS-SFHVURJKSA-N 1 2 389.507 3.604 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H](c3nncn3C(C)C)C2)c1C#N ZINC000611347379 859721649 /nfs/dbraw/zinc/72/16/49/859721649.db2.gz DREIAXYNOCVKKS-SFHVURJKSA-N 1 2 389.507 3.604 20 30 GHEDLO Cc1ccc(S(=O)(=O)CCC[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000611371632 859725116 /nfs/dbraw/zinc/72/51/16/859725116.db2.gz JYDRBGIMPQSUNZ-UHFFFAOYSA-N 1 2 398.528 3.574 20 30 GHEDLO COC(=O)C(C)(C)[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1 ZINC000611405682 859744021 /nfs/dbraw/zinc/74/40/21/859744021.db2.gz HXVPEYKHQAXMCL-LJQANCHMSA-N 1 2 390.443 3.638 20 30 GHEDLO C=CCOc1ccc(-c2nn(C[N@@H+]3CCC[C@@H]4COCC[C@H]43)c(=S)o2)cc1 ZINC000765077427 859768931 /nfs/dbraw/zinc/76/89/31/859768931.db2.gz IMSCPNYITJPBEH-SJLPKXTDSA-N 1 2 387.505 3.896 20 30 GHEDLO C=CCOc1ccc(-c2nn(C[N@H+]3CCC[C@@H]4COCC[C@H]43)c(=S)o2)cc1 ZINC000765077427 859768936 /nfs/dbraw/zinc/76/89/36/859768936.db2.gz IMSCPNYITJPBEH-SJLPKXTDSA-N 1 2 387.505 3.896 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)c(Br)c1 ZINC000611500876 859786712 /nfs/dbraw/zinc/78/67/12/859786712.db2.gz LDWXDTMUSQXIMY-CYBMUJFWSA-N 1 2 377.204 3.864 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)c(Br)c1 ZINC000611500877 859786590 /nfs/dbraw/zinc/78/65/90/859786590.db2.gz LDWXDTMUSQXIMY-ZDUSSCGKSA-N 1 2 377.204 3.864 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)c(Br)c1 ZINC000611500877 859786595 /nfs/dbraw/zinc/78/65/95/859786595.db2.gz LDWXDTMUSQXIMY-ZDUSSCGKSA-N 1 2 377.204 3.864 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)c(Br)c1 ZINC000611500876 859786709 /nfs/dbraw/zinc/78/67/09/859786709.db2.gz LDWXDTMUSQXIMY-CYBMUJFWSA-N 1 2 377.204 3.864 20 30 GHEDLO N#Cc1ccccc1NC1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000602182465 859842766 /nfs/dbraw/zinc/84/27/66/859842766.db2.gz FFRCXMKAUNSFML-UHFFFAOYSA-N 1 2 385.471 3.520 20 30 GHEDLO COc1ccc(C[N@H+](C)Cc2nc3ccccc3n2C)cc1OCCCC#N ZINC000093364070 860258522 /nfs/dbraw/zinc/25/85/22/860258522.db2.gz AFUXFTVUNBQWRZ-UHFFFAOYSA-N 1 2 378.476 3.896 20 30 GHEDLO COc1ccc(C[N@@H+](C)Cc2nc3ccccc3n2C)cc1OCCCC#N ZINC000093364070 860258531 /nfs/dbraw/zinc/25/85/31/860258531.db2.gz AFUXFTVUNBQWRZ-UHFFFAOYSA-N 1 2 378.476 3.896 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](CO)c1cccc(Cl)c1F ZINC000499951867 860284963 /nfs/dbraw/zinc/28/49/63/860284963.db2.gz SRFOMCQNMDZDKL-SUMWQHHRSA-N 1 2 396.915 3.767 20 30 GHEDLO C=CC[N@@H+](CC(=O)N(C)Cc1ccc(OC(F)F)cc1)Cc1cccs1 ZINC000060942808 860381330 /nfs/dbraw/zinc/38/13/30/860381330.db2.gz FIIGPOIVKVAMHA-UHFFFAOYSA-N 1 2 380.460 3.996 20 30 GHEDLO C=CC[N@H+](CC(=O)N(C)Cc1ccc(OC(F)F)cc1)Cc1cccs1 ZINC000060942808 860381336 /nfs/dbraw/zinc/38/13/36/860381336.db2.gz FIIGPOIVKVAMHA-UHFFFAOYSA-N 1 2 380.460 3.996 20 30 GHEDLO C#Cc1cccc(NC(=S)N(Cc2ccccc2)[C@H](C)C[NH+]2CCOCC2)c1 ZINC000728177437 860450870 /nfs/dbraw/zinc/45/08/70/860450870.db2.gz DWDWGNJMCFRIKN-LJQANCHMSA-N 1 2 393.556 3.588 20 30 GHEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1 ZINC000552427929 860526671 /nfs/dbraw/zinc/52/66/71/860526671.db2.gz ZAGDBOHOLSUPOX-OAHLLOKOSA-N 1 2 385.508 3.942 20 30 GHEDLO C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000139804789 860568763 /nfs/dbraw/zinc/56/87/63/860568763.db2.gz IHQOUDDUGBQWAM-ZDUSSCGKSA-N 1 2 388.418 3.908 20 30 GHEDLO Cc1cc(C#N)cc(C)c1CC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001125130912 860919354 /nfs/dbraw/zinc/91/93/54/860919354.db2.gz KUTGCOUZZNOHNV-RTBURBONSA-N 1 2 391.515 3.966 20 30 GHEDLO N#Cc1cc(F)ccc1NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000126287369 861011378 /nfs/dbraw/zinc/01/13/78/861011378.db2.gz OSDCUXONXZSFQC-WOJBJXKFSA-N 1 2 375.407 3.944 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C(C)=O)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000329113127 861031938 /nfs/dbraw/zinc/03/19/38/861031938.db2.gz RSJCVYHDWRXHHO-LNLFQRSKSA-N 1 2 397.441 3.597 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C(C)=O)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000329113127 861031955 /nfs/dbraw/zinc/03/19/55/861031955.db2.gz RSJCVYHDWRXHHO-LNLFQRSKSA-N 1 2 397.441 3.597 20 30 GHEDLO C#CC[N@@H+](Cc1coc(-c2ccc(I)cc2)n1)C1CC1 ZINC000763950110 861048149 /nfs/dbraw/zinc/04/81/49/861048149.db2.gz QXKDWWAFGPIDLI-UHFFFAOYSA-N 1 2 378.213 3.544 20 30 GHEDLO C#CC[N@H+](Cc1coc(-c2ccc(I)cc2)n1)C1CC1 ZINC000763950110 861048165 /nfs/dbraw/zinc/04/81/65/861048165.db2.gz QXKDWWAFGPIDLI-UHFFFAOYSA-N 1 2 378.213 3.544 20 30 GHEDLO C=CCn1c(-c2ccoc2)nnc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000508460083 863238765 /nfs/dbraw/zinc/23/87/65/863238765.db2.gz ABCVKNWUYNEUJY-UHFFFAOYSA-N 1 2 383.883 3.700 20 30 GHEDLO C=CC[N@@H+](CC(=O)Nc1cccc(C(=O)N(CC)CC)c1)Cc1ccccc1 ZINC000027776598 863262601 /nfs/dbraw/zinc/26/26/01/863262601.db2.gz WMENQBWWONSQIA-UHFFFAOYSA-N 1 2 379.504 3.795 20 30 GHEDLO C=CC[N@H+](CC(=O)Nc1cccc(C(=O)N(CC)CC)c1)Cc1ccccc1 ZINC000027776598 863262613 /nfs/dbraw/zinc/26/26/13/863262613.db2.gz WMENQBWWONSQIA-UHFFFAOYSA-N 1 2 379.504 3.795 20 30 GHEDLO C=CCCn1cc(C[N@H+]2CCC[C@@H](Nc3cccc(Br)c3)C2)nn1 ZINC000668089613 863390048 /nfs/dbraw/zinc/39/00/48/863390048.db2.gz YBWYXZHXLFCANB-QGZVFWFLSA-N 1 2 390.329 3.693 20 30 GHEDLO C=CCCn1cc(C[N@@H+]2CCC[C@@H](Nc3cccc(Br)c3)C2)nn1 ZINC000668089613 863390067 /nfs/dbraw/zinc/39/00/67/863390067.db2.gz YBWYXZHXLFCANB-QGZVFWFLSA-N 1 2 390.329 3.693 20 30 GHEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000120587851 881679275 /nfs/dbraw/zinc/67/92/75/881679275.db2.gz PTPANWQNNULZNA-LJQANCHMSA-N 1 2 387.487 3.639 20 30 GHEDLO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000120587851 881679278 /nfs/dbraw/zinc/67/92/78/881679278.db2.gz PTPANWQNNULZNA-LJQANCHMSA-N 1 2 387.487 3.639 20 30 GHEDLO N#Cc1ccccc1COc1cccc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCC2=O)c1 ZINC000475120733 864226687 /nfs/dbraw/zinc/22/66/87/864226687.db2.gz PZJQPOORNLANLG-DHIUTWEWSA-N 1 2 390.483 3.707 20 30 GHEDLO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCC2=O)c1 ZINC000475120733 864226699 /nfs/dbraw/zinc/22/66/99/864226699.db2.gz PZJQPOORNLANLG-DHIUTWEWSA-N 1 2 390.483 3.707 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)cc1 ZINC000738319909 865530027 /nfs/dbraw/zinc/53/00/27/865530027.db2.gz MENPEOAIWGHEHX-WMZOPIPTSA-N 1 2 397.441 3.674 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC[C@H](OCC(F)(F)F)C2)cc1 ZINC000738319909 865530034 /nfs/dbraw/zinc/53/00/34/865530034.db2.gz MENPEOAIWGHEHX-WMZOPIPTSA-N 1 2 397.441 3.674 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)cc1 ZINC000738319907 865530220 /nfs/dbraw/zinc/53/02/20/865530220.db2.gz MENPEOAIWGHEHX-SJLPKXTDSA-N 1 2 397.441 3.674 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)cc1 ZINC000738319907 865530224 /nfs/dbraw/zinc/53/02/24/865530224.db2.gz MENPEOAIWGHEHX-SJLPKXTDSA-N 1 2 397.441 3.674 20 30 GHEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC000594272926 865642180 /nfs/dbraw/zinc/64/21/80/865642180.db2.gz JGJHJOKXXWIAFX-ZWKOTPCHSA-N 1 2 379.479 3.781 20 30 GHEDLO CCc1ccc(C[NH+]2CCN(C(=O)N[C@@H](C)c3ccc(C#N)cc3)CC2)s1 ZINC000610013849 866616240 /nfs/dbraw/zinc/61/62/40/866616240.db2.gz HEWHQZGOWQGCER-INIZCTEOSA-N 1 2 382.533 3.771 20 30 GHEDLO C=C(C)CN(C)C(=O)c1cccnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000479226212 867349627 /nfs/dbraw/zinc/34/96/27/867349627.db2.gz ZMOOEPZARSAJDI-UHFFFAOYSA-N 1 2 398.938 3.705 20 30 GHEDLO C=CC[C@H]1N(C(=O)NCc2ccccc2C[NH+]2CCOCC2)CCCC1(C)C ZINC000444875184 867376575 /nfs/dbraw/zinc/37/65/75/867376575.db2.gz PDWPYEWWABAASF-OAQYLSRUSA-N 1 2 385.552 3.795 20 30 GHEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCc3c(Cl)c(Cl)ccc3C2)cc1 ZINC000523892877 868207581 /nfs/dbraw/zinc/20/75/81/868207581.db2.gz KZSROWUYRNHMAL-HNNXBMFYSA-N 1 2 377.271 3.663 20 30 GHEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCc3c(Cl)c(Cl)ccc3C2)cc1 ZINC000523892877 868207596 /nfs/dbraw/zinc/20/75/96/868207596.db2.gz KZSROWUYRNHMAL-HNNXBMFYSA-N 1 2 377.271 3.663 20 30 GHEDLO CC[NH+](CC)[C@@H](CNS(=O)(=O)CCC(C)(C)C#N)c1ccccc1Cl ZINC000550824610 882164878 /nfs/dbraw/zinc/16/48/78/882164878.db2.gz LJSMNZDXANOBHW-KRWDZBQOSA-N 1 2 385.961 3.582 20 30 GHEDLO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000152107904 868352347 /nfs/dbraw/zinc/35/23/47/868352347.db2.gz ANAACUNXFVLGJL-LJQANCHMSA-N 1 2 386.455 3.843 20 30 GHEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000744411831 868821388 /nfs/dbraw/zinc/82/13/88/868821388.db2.gz STQJEGBFZQLRNL-IIBYNOLFSA-N 1 2 397.906 3.805 20 30 GHEDLO CCC[C@H](Cc1ccccc1)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000524352956 868955094 /nfs/dbraw/zinc/95/50/94/868955094.db2.gz DMQJJQMXVLNZTO-HSZRJFAPSA-N 1 2 390.531 3.797 20 30 GHEDLO C[C@H]1CCc2c(C#N)c(NC(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCO3)sc2C1 ZINC000524915906 869752646 /nfs/dbraw/zinc/75/26/46/869752646.db2.gz WEQJICQPDOSFMD-KXBFYZLASA-N 1 2 395.528 3.584 20 30 GHEDLO C[C@H]1CCc2c(C#N)c(NC(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)sc2C1 ZINC000524915906 869752648 /nfs/dbraw/zinc/75/26/48/869752648.db2.gz WEQJICQPDOSFMD-KXBFYZLASA-N 1 2 395.528 3.584 20 30 GHEDLO C=CCNC(=O)c1ccc(NCc2c[nH+]c3c(C)cc(Br)cn23)cc1 ZINC000446889635 870654251 /nfs/dbraw/zinc/65/42/51/870654251.db2.gz YGNDRSVQGKNVQY-UHFFFAOYSA-N 1 2 399.292 3.933 20 30 GHEDLO N#Cc1cccc(-c2nnc(C[N@@H+](Cc3cccs3)C[C@H]3CCCO3)o2)c1 ZINC000441185629 870977153 /nfs/dbraw/zinc/97/71/53/870977153.db2.gz TWTXTTPRLORDLR-QGZVFWFLSA-N 1 2 380.473 3.851 20 30 GHEDLO N#Cc1cccc(-c2nnc(C[N@H+](Cc3cccs3)C[C@H]3CCCO3)o2)c1 ZINC000441185629 870977158 /nfs/dbraw/zinc/97/71/58/870977158.db2.gz TWTXTTPRLORDLR-QGZVFWFLSA-N 1 2 380.473 3.851 20 30 GHEDLO C=C(C)CN(CC)C(=O)C[N@@H+]1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000538997878 871102837 /nfs/dbraw/zinc/10/28/37/871102837.db2.gz PELCYWFORWDZNZ-UHFFFAOYSA-N 1 2 375.563 3.963 20 30 GHEDLO C=C(C)CN(CC)C(=O)C[N@H+]1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000538997878 871102843 /nfs/dbraw/zinc/10/28/43/871102843.db2.gz PELCYWFORWDZNZ-UHFFFAOYSA-N 1 2 375.563 3.963 20 30 GHEDLO C[C@@H](C#N)c1ccc(NC(=O)c2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cc1 ZINC001194678825 871884829 /nfs/dbraw/zinc/88/48/29/871884829.db2.gz YNTOUDGVDVZMCE-HNNXBMFYSA-N 1 2 382.895 3.971 20 30 GHEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(NC[C@@H](CO)Cc2ccccc2)[nH+]1 ZINC001169897528 871986107 /nfs/dbraw/zinc/98/61/07/871986107.db2.gz GCSMQPZDARWVFW-XERDPCOMSA-N 1 2 387.549 3.534 20 30 GHEDLO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000767017310 872173519 /nfs/dbraw/zinc/17/35/19/872173519.db2.gz GJJLEVRHKQUMQD-NIKGAXFTSA-N 1 2 385.533 3.998 20 30 GHEDLO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000767017310 872173525 /nfs/dbraw/zinc/17/35/25/872173525.db2.gz GJJLEVRHKQUMQD-NIKGAXFTSA-N 1 2 385.533 3.998 20 30 GHEDLO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3cnc(C(F)(F)F)s3)CC2)c1 ZINC000447741841 872229670 /nfs/dbraw/zinc/22/96/70/872229670.db2.gz OCFZTQOZXWYPON-UHFFFAOYSA-N 1 2 394.422 3.884 20 30 GHEDLO C=CC[N@H+](CC(=O)Nc1ccc(N2CCCCC2)nc1)Cc1ccc(OC)cc1 ZINC000540822731 872251216 /nfs/dbraw/zinc/25/12/16/872251216.db2.gz LXAWBBBJWZPGGK-UHFFFAOYSA-N 1 2 394.519 3.707 20 30 GHEDLO C=CC[N@@H+](CC(=O)Nc1ccc(N2CCCCC2)nc1)Cc1ccc(OC)cc1 ZINC000540822731 872251234 /nfs/dbraw/zinc/25/12/34/872251234.db2.gz LXAWBBBJWZPGGK-UHFFFAOYSA-N 1 2 394.519 3.707 20 30 GHEDLO Cc1ccccc1C[N@@H+]1CCO[C@H](c2noc(Cc3ccccc3CC#N)n2)C1 ZINC000867180972 873185967 /nfs/dbraw/zinc/18/59/67/873185967.db2.gz JUIFRDHUHNEOKG-NRFANRHFSA-N 1 2 388.471 3.608 20 30 GHEDLO Cc1ccccc1C[N@H+]1CCO[C@H](c2noc(Cc3ccccc3CC#N)n2)C1 ZINC000867180972 873185982 /nfs/dbraw/zinc/18/59/82/873185982.db2.gz JUIFRDHUHNEOKG-NRFANRHFSA-N 1 2 388.471 3.608 20 30 GHEDLO N#Cc1csc(CN2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC000768326946 873237012 /nfs/dbraw/zinc/23/70/12/873237012.db2.gz KBDWSVUSBLLRCB-UHFFFAOYSA-N 1 2 381.423 3.836 20 30 GHEDLO N#Cc1csc(C[NH+]2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC000768326946 873237020 /nfs/dbraw/zinc/23/70/20/873237020.db2.gz KBDWSVUSBLLRCB-UHFFFAOYSA-N 1 2 381.423 3.836 20 30 GHEDLO C=C(C)COc1cc(CNc2[nH+]c3ccccc3n2CCOC)ccc1OC ZINC000464351937 873691111 /nfs/dbraw/zinc/69/11/11/873691111.db2.gz BHOJUHUHLXLLME-UHFFFAOYSA-N 1 2 381.476 3.680 20 30 GHEDLO N#Cc1cc(S(=O)(=O)Nc2cc[nH+]c(C3CCC3)c2)ccc1Br ZINC001197287414 873714499 /nfs/dbraw/zinc/71/44/99/873714499.db2.gz SCYWSQZXLFFWQJ-UHFFFAOYSA-N 1 2 392.278 3.784 20 30 GHEDLO CC(C)(C)OC(=O)N1CCN(c2ccc(NCc3ccc(C#N)cc3)[nH+]c2)CC1 ZINC000769407215 874026910 /nfs/dbraw/zinc/02/69/10/874026910.db2.gz HVTJMJQKJJOOAD-UHFFFAOYSA-N 1 2 393.491 3.622 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858048514 882787296 /nfs/dbraw/zinc/78/72/96/882787296.db2.gz AOQFOKIDHXNYBS-GOSISDBHSA-N 1 2 396.878 3.576 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858048514 882787301 /nfs/dbraw/zinc/78/73/01/882787301.db2.gz AOQFOKIDHXNYBS-GOSISDBHSA-N 1 2 396.878 3.576 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC001198230543 874299684 /nfs/dbraw/zinc/29/96/84/874299684.db2.gz RIXPGXPHXJZAAE-GOSISDBHSA-N 1 2 398.850 3.514 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC001198230543 874299689 /nfs/dbraw/zinc/29/96/89/874299689.db2.gz RIXPGXPHXJZAAE-GOSISDBHSA-N 1 2 398.850 3.514 20 30 GHEDLO N#Cc1ccnc(N2CC[NH+](Cc3cnc(-c4c(F)cccc4F)s3)CC2)c1 ZINC000449010862 874357191 /nfs/dbraw/zinc/35/71/91/874357191.db2.gz VVIJDCMUARWBIQ-UHFFFAOYSA-N 1 2 397.454 3.677 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000528503169 874640197 /nfs/dbraw/zinc/64/01/97/874640197.db2.gz DEPZAPVILVVZRS-IBGZPJMESA-N 1 2 392.858 3.748 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000528503169 874640204 /nfs/dbraw/zinc/64/02/04/874640204.db2.gz DEPZAPVILVVZRS-IBGZPJMESA-N 1 2 392.858 3.748 20 30 GHEDLO CS(=O)(=O)C[C@@H]1CCCC[N@@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000449528864 875005862 /nfs/dbraw/zinc/00/58/62/875005862.db2.gz SOIYZVLHTALFEF-NRFANRHFSA-N 1 2 398.528 3.536 20 30 GHEDLO CS(=O)(=O)C[C@@H]1CCCC[N@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000449528864 875005873 /nfs/dbraw/zinc/00/58/73/875005873.db2.gz SOIYZVLHTALFEF-NRFANRHFSA-N 1 2 398.528 3.536 20 30 GHEDLO Cc1ccc(S(=O)(=O)c2ccc(NN=Cc3cccc4[nH+]ccn43)cc2)cc1 ZINC000771088204 875034813 /nfs/dbraw/zinc/03/48/13/875034813.db2.gz KMJAMCBEKZPBAD-UHFFFAOYSA-N 1 2 390.468 3.922 20 30 GHEDLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c(OC)c1 ZINC000026323932 875227544 /nfs/dbraw/zinc/22/75/44/875227544.db2.gz FPNVCAMOFDDQQH-CYBMUJFWSA-N 1 2 399.516 3.585 20 30 GHEDLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c(OC)c1 ZINC000026323932 875227550 /nfs/dbraw/zinc/22/75/50/875227550.db2.gz FPNVCAMOFDDQQH-CYBMUJFWSA-N 1 2 399.516 3.585 20 30 GHEDLO C=CCOc1ccc(CC(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)cc1 ZINC000449909066 875622990 /nfs/dbraw/zinc/62/29/90/875622990.db2.gz XZUVUMCFBKBKST-UHFFFAOYSA-N 1 2 380.488 3.573 20 30 GHEDLO Cc1oc(-c2cccs2)nc1C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001201962929 875956093 /nfs/dbraw/zinc/95/60/93/875956093.db2.gz JCKMIXWFFXMYEL-KRWDZBQOSA-N 1 2 392.484 3.868 20 30 GHEDLO CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000537659333 883007449 /nfs/dbraw/zinc/00/74/49/883007449.db2.gz SZNVQNJBJDVLFI-GOSISDBHSA-N 1 2 385.309 3.989 20 30 GHEDLO CCS[C@H]1CCC[C@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])C1 ZINC000176448965 877530211 /nfs/dbraw/zinc/53/02/11/877530211.db2.gz NQDAZEUFEPDGIC-GJZGRUSLSA-N 1 2 384.549 3.710 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(OC)cc1OC ZINC000477442609 877628811 /nfs/dbraw/zinc/62/88/11/877628811.db2.gz ZQAYMWIRCCSQFR-MRXNPFEDSA-N 1 2 388.533 3.800 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)Cc1ccc(OC)cc1OC ZINC000477442609 877628818 /nfs/dbraw/zinc/62/88/18/877628818.db2.gz ZQAYMWIRCCSQFR-MRXNPFEDSA-N 1 2 388.533 3.800 20 30 GHEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2c(C3CC3)nc3sccn23)CC1 ZINC000179762335 877946567 /nfs/dbraw/zinc/94/65/67/877946567.db2.gz POYFJEYYCSYRCN-UHFFFAOYSA-N 1 2 381.480 3.606 20 30 GHEDLO N#CCOc1ccc(CC(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)cc1 ZINC000788251549 877957214 /nfs/dbraw/zinc/95/72/14/877957214.db2.gz YIPCTRDPZSSSPA-GOSISDBHSA-N 1 2 392.503 3.576 20 30 GHEDLO N#CCOc1ccc(CC(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)cc1 ZINC000788251549 877957216 /nfs/dbraw/zinc/95/72/16/877957216.db2.gz YIPCTRDPZSSSPA-GOSISDBHSA-N 1 2 392.503 3.576 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](C[C@@H](O)c3ccccc3C(F)(F)F)CC2)c(F)c1 ZINC000110306779 877986208 /nfs/dbraw/zinc/98/62/08/877986208.db2.gz LVYKGIUPEYNVPX-LJQANCHMSA-N 1 2 393.384 3.572 20 30 GHEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000852333057 878251055 /nfs/dbraw/zinc/25/10/55/878251055.db2.gz YNMTYABZSZKTCZ-AZUAARDMSA-N 1 2 389.421 3.561 20 30 GHEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000852333057 878251071 /nfs/dbraw/zinc/25/10/71/878251071.db2.gz YNMTYABZSZKTCZ-AZUAARDMSA-N 1 2 389.421 3.561 20 30 GHEDLO CCc1ccc(C[NH+]2CCN(C(=O)Nc3ccccc3O[C@@H](C)C#N)CC2)s1 ZINC000180091266 878507307 /nfs/dbraw/zinc/50/73/07/878507307.db2.gz BVJIYXRPJSAVCI-INIZCTEOSA-N 1 2 398.532 3.951 20 30 GHEDLO COC(=O)c1cccc(C[NH2+]C2(c3ccc(Br)cc3)CC2)c1C#N ZINC000538175183 878979705 /nfs/dbraw/zinc/97/97/05/878979705.db2.gz LXHQCJNGDSYYNW-UHFFFAOYSA-N 1 2 385.261 3.886 20 30 GHEDLO C#CCCCOc1ccc[nH+]c1N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000853474074 879044528 /nfs/dbraw/zinc/04/45/28/879044528.db2.gz VCQCVULNXKABDF-SFHVURJKSA-N 1 2 391.450 3.698 20 30 GHEDLO C=CC[N@@H+](CC(=O)N[C@H](c1ccc(OC)cc1)C1CC1)Cc1cccc(C#N)c1 ZINC000068826963 879065215 /nfs/dbraw/zinc/06/52/15/879065215.db2.gz KESGSNAOOVJFML-DEOSSOPVSA-N 1 2 389.499 3.822 20 30 GHEDLO C=CC[N@H+](CC(=O)N[C@H](c1ccc(OC)cc1)C1CC1)Cc1cccc(C#N)c1 ZINC000068826963 879065234 /nfs/dbraw/zinc/06/52/34/879065234.db2.gz KESGSNAOOVJFML-DEOSSOPVSA-N 1 2 389.499 3.822 20 30 GHEDLO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180749283 879271568 /nfs/dbraw/zinc/27/15/68/879271568.db2.gz SPGMUXVABXHFEQ-MJGOQNOKSA-N 1 2 386.858 3.700 20 30 GHEDLO CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180749283 879271584 /nfs/dbraw/zinc/27/15/84/879271584.db2.gz SPGMUXVABXHFEQ-MJGOQNOKSA-N 1 2 386.858 3.700 20 30 GHEDLO C=CCCC[C@H](C)NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000538366202 879362596 /nfs/dbraw/zinc/36/25/96/879362596.db2.gz IZHSIIBLSTUOLZ-SNRMKQJTSA-N 1 2 379.932 3.756 20 30 GHEDLO C=CCCC[C@H](C)NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000538366202 879362583 /nfs/dbraw/zinc/36/25/83/879362583.db2.gz IZHSIIBLSTUOLZ-SNRMKQJTSA-N 1 2 379.932 3.756 20 30 GHEDLO C=CCn1c(-c2ccncc2)nn(C[N@@H+](CCOC)[C@H]2CC[C@H](C)C2)c1=S ZINC000790482212 879754600 /nfs/dbraw/zinc/75/46/00/879754600.db2.gz ZYFQUZOTBMBHLG-WMZOPIPTSA-N 1 2 387.553 3.757 20 30 GHEDLO C=CCn1c(-c2ccncc2)nn(C[N@H+](CCOC)[C@H]2CC[C@H](C)C2)c1=S ZINC000790482212 879754611 /nfs/dbraw/zinc/75/46/11/879754611.db2.gz ZYFQUZOTBMBHLG-WMZOPIPTSA-N 1 2 387.553 3.757 20 30 GHEDLO Cc1ccc2ncc(C#N)c(N3C[C@@H]4[C@H](C3)OCC[N@@H+]4Cc3ccccc3)c2c1 ZINC000487744717 879987591 /nfs/dbraw/zinc/98/75/91/879987591.db2.gz VQHHRMYCKIITHT-PKTZIBPZSA-N 1 2 384.483 3.505 20 30 GHEDLO Cc1ccc2ncc(C#N)c(N3C[C@@H]4[C@H](C3)OCC[N@H+]4Cc3ccccc3)c2c1 ZINC000487744717 879987605 /nfs/dbraw/zinc/98/76/05/879987605.db2.gz VQHHRMYCKIITHT-PKTZIBPZSA-N 1 2 384.483 3.505 20 30 GHEDLO C[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000531580894 880153014 /nfs/dbraw/zinc/15/30/14/880153014.db2.gz XOBLEGGQNAJETR-OXQOHEQNSA-N 1 2 387.443 3.665 20 30 GHEDLO N#CCCn1cc(C[NH+]2CCN(Cc3cccs3)CC2)c(-c2ccccc2)n1 ZINC000119888393 881202345 /nfs/dbraw/zinc/20/23/45/881202345.db2.gz FPPJFXTYFQCQLR-UHFFFAOYSA-N 1 2 391.544 3.843 20 30 GHEDLO COc1ccc(CN2CCc3c2nc[nH+]c3NCc2ccc(C#N)s2)cc1 ZINC001170199076 881234463 /nfs/dbraw/zinc/23/44/63/881234463.db2.gz HUEAIOJIZXKRTC-UHFFFAOYSA-N 1 2 377.473 3.593 20 30 GHEDLO Cc1ccc(C#N)c(Nc2ccc(N3CC[NH+](C)CC3)c(Br)c2)n1 ZINC000804646897 883162294 /nfs/dbraw/zinc/16/22/94/883162294.db2.gz WNORIEVXTNMLMW-UHFFFAOYSA-N 1 2 386.297 3.520 20 30 GHEDLO C[C@H]1CCCN(c2cc(N[C@@H]3CCCN(c4ccc(C#N)cc4F)C3)[nH+]cn2)C1 ZINC000609463904 883225725 /nfs/dbraw/zinc/22/57/25/883225725.db2.gz XBPRSMXCJAPTHC-FUHWJXTLSA-N 1 2 394.498 3.805 20 30 GHEDLO C[C@H]1CCCN(c2cc(N[C@@H]3CCCN(c4ccc(C#N)cc4F)C3)nc[nH+]2)C1 ZINC000609463904 883225739 /nfs/dbraw/zinc/22/57/39/883225739.db2.gz XBPRSMXCJAPTHC-FUHWJXTLSA-N 1 2 394.498 3.805 20 30 GHEDLO N#CCc1ccc(Oc2ccc(C(=O)N3CC(Oc4cc[nH+]cc4)C3)cc2)cc1 ZINC000609550818 883363797 /nfs/dbraw/zinc/36/37/97/883363797.db2.gz AKFWEANKGKPYJP-UHFFFAOYSA-N 1 2 385.423 3.843 20 30 GHEDLO C#C[C@H](NC(=O)NCCc1cn2cccc(C)c2[nH+]1)c1ccc(Cl)cc1F ZINC000805166230 883649316 /nfs/dbraw/zinc/64/93/16/883649316.db2.gz FGJISTIXNLYQPC-SFHVURJKSA-N 1 2 384.842 3.651 20 30 GHEDLO Cc1ccc(C[NH+]2CCC(O)(c3scnc3Br)CC2)cc1C#N ZINC000859291512 883721338 /nfs/dbraw/zinc/72/13/38/883721338.db2.gz XANQHNSPXKUHRJ-UHFFFAOYSA-N 1 2 392.322 3.569 20 30 GHEDLO CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000609893034 883803422 /nfs/dbraw/zinc/80/34/22/883803422.db2.gz YHGPPMYCQSYUPX-SFHVURJKSA-N 1 2 385.309 3.989 20 30 GHEDLO N#CCn1c(=O)c2ccccc2nc1C[N@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000859416186 883803535 /nfs/dbraw/zinc/80/35/35/883803535.db2.gz AMIGBHZJDBXINC-MRXNPFEDSA-N 1 2 394.425 3.578 20 30 GHEDLO N#CCn1c(=O)c2ccccc2nc1C[N@@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000859416186 883803549 /nfs/dbraw/zinc/80/35/49/883803549.db2.gz AMIGBHZJDBXINC-MRXNPFEDSA-N 1 2 394.425 3.578 20 30 GHEDLO N#Cc1cccc([C@@H]2C[N@H+](CCC(=O)N[C@H]3CCCc4ccccc43)CCO2)c1 ZINC000761758975 884061510 /nfs/dbraw/zinc/06/15/10/884061510.db2.gz UXBDSFFHTYPCPB-GOTSBHOMSA-N 1 2 389.499 3.515 20 30 GHEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCC(=O)N[C@H]3CCCc4ccccc43)CCO2)c1 ZINC000761758975 884061528 /nfs/dbraw/zinc/06/15/28/884061528.db2.gz UXBDSFFHTYPCPB-GOTSBHOMSA-N 1 2 389.499 3.515 20 30 GHEDLO N#Cc1c(NC(=O)CC[N@H+]2CCOC[C@H]2CC(F)F)sc2c1CCCCC2 ZINC000286537503 912795829 /nfs/dbraw/zinc/79/58/29/912795829.db2.gz ROYMOLHGFQQCRR-CYBMUJFWSA-N 1 2 397.491 3.573 20 30 GHEDLO N#Cc1c(NC(=O)CC[N@@H+]2CCOC[C@H]2CC(F)F)sc2c1CCCCC2 ZINC000286537503 912795843 /nfs/dbraw/zinc/79/58/43/912795843.db2.gz ROYMOLHGFQQCRR-CYBMUJFWSA-N 1 2 397.491 3.573 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCN(c3ccccc3C)CC2)cc1 ZINC000026471026 884261134 /nfs/dbraw/zinc/26/11/34/884261134.db2.gz ZIDGFQMYUQVPQU-NRFANRHFSA-N 1 2 390.531 3.761 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001183840903 912844684 /nfs/dbraw/zinc/84/46/84/912844684.db2.gz JNDZWAPWKLHSMQ-BHDDXSALSA-N 1 2 377.463 3.724 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001183840903 912844699 /nfs/dbraw/zinc/84/46/99/912844699.db2.gz JNDZWAPWKLHSMQ-BHDDXSALSA-N 1 2 377.463 3.724 20 30 GHEDLO COc1cc(Br)c(C=NNc2cc[nH+]c3ccccc23)c(OC)c1 ZINC000760253528 885058809 /nfs/dbraw/zinc/05/88/09/885058809.db2.gz SWEWSSHPTTWQTN-UHFFFAOYSA-N 1 2 386.249 3.882 20 30 GHEDLO O=C(C=C(C(F)(F)F)C(F)(F)F)N1CC2(CC[N@H+]2CCCC(F)(F)F)C1 ZINC001272605226 885574863 /nfs/dbraw/zinc/57/48/63/885574863.db2.gz UDXNQLRVEUILHM-UHFFFAOYSA-N 1 2 398.269 3.667 20 30 GHEDLO O=C(C=C(C(F)(F)F)C(F)(F)F)N1CC2(CC[N@@H+]2CCCC(F)(F)F)C1 ZINC001272605226 885574871 /nfs/dbraw/zinc/57/48/71/885574871.db2.gz UDXNQLRVEUILHM-UHFFFAOYSA-N 1 2 398.269 3.667 20 30 GHEDLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)cc1OC ZINC000173461301 886393644 /nfs/dbraw/zinc/39/36/44/886393644.db2.gz HLXLTQVOZQXRTF-SFHVURJKSA-N 1 2 390.443 3.963 20 30 GHEDLO COc1ccc([C@@H]2CCC[N@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)cc1OC ZINC000173461301 886393666 /nfs/dbraw/zinc/39/36/66/886393666.db2.gz HLXLTQVOZQXRTF-SFHVURJKSA-N 1 2 390.443 3.963 20 30 GHEDLO C[C@@](C#N)(NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)C1CCCCC1 ZINC000550748943 886610128 /nfs/dbraw/zinc/61/01/28/886610128.db2.gz YYEUFGSGLNBPPY-QFIPXVFZSA-N 1 2 393.491 3.504 20 30 GHEDLO COC(=O)c1cccc(C[NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)c1C#N ZINC000808788400 886780029 /nfs/dbraw/zinc/78/00/29/886780029.db2.gz WCZDUBWLPNZTOI-XZOQPEGZSA-N 1 2 386.451 3.909 20 30 GHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)OCc1ccc(C#N)cc1Cl ZINC000796001837 913157843 /nfs/dbraw/zinc/15/78/43/913157843.db2.gz FRMYHBDJQRKQKX-UHFFFAOYSA-N 1 2 375.762 3.891 20 30 GHEDLO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000131773824 887573891 /nfs/dbraw/zinc/57/38/91/887573891.db2.gz LTLZYQXKQZDEAR-ZDUSSCGKSA-N 1 2 392.272 3.562 20 30 GHEDLO Cc1cccc(CCCOCCOC(=O)c2cc3ccccc3n2CC#N)[nH+]1 ZINC000729648512 887617263 /nfs/dbraw/zinc/61/72/63/887617263.db2.gz DOHDYOMTBZSMOK-UHFFFAOYSA-N 1 2 377.444 3.675 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2COC(=O)NC2CC2)c(Br)c1 ZINC000810040063 888124480 /nfs/dbraw/zinc/12/44/80/888124480.db2.gz LXRBOKRUUSRGJQ-MRXNPFEDSA-N 1 2 392.297 3.564 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2COC(=O)NC2CC2)c(Br)c1 ZINC000810040063 888124489 /nfs/dbraw/zinc/12/44/89/888124489.db2.gz LXRBOKRUUSRGJQ-MRXNPFEDSA-N 1 2 392.297 3.564 20 30 GHEDLO C#CC[C@H]([NH2+]Cc1cn(-c2ccccc2Br)nn1)c1ccccc1 ZINC000810150791 888239233 /nfs/dbraw/zinc/23/92/33/888239233.db2.gz LJRVPYWIBFLXTQ-SFHVURJKSA-N 1 2 381.277 3.884 20 30 GHEDLO CS(=O)(=O)c1ccc(N[NH+]=Cc2c(Cl)cccc2N2CCCC2)cc1 ZINC000763354504 888755536 /nfs/dbraw/zinc/75/55/36/888755536.db2.gz POBSNGOSFOENAM-UHFFFAOYSA-N 1 2 377.897 3.790 20 30 GHEDLO N#Cc1cc(N2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)nc(C2CC2)n1 ZINC001184634327 913322884 /nfs/dbraw/zinc/32/28/84/913322884.db2.gz MZLNFBNLJAZQMQ-UHFFFAOYSA-N 1 2 387.409 3.567 20 30 GHEDLO CC1CC[NH+](Cc2csc(NC(=O)C3(c4cccc(C#N)c4)CC3)n2)CC1 ZINC000532945193 889354905 /nfs/dbraw/zinc/35/49/05/889354905.db2.gz JZHINKTVTYKFBF-UHFFFAOYSA-N 1 2 380.517 3.917 20 30 GHEDLO C=CCC1(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)CCOCC1 ZINC000644556274 913363576 /nfs/dbraw/zinc/36/35/76/913363576.db2.gz NIBXYMPHRYEVJO-UHFFFAOYSA-N 1 2 396.453 3.723 20 30 GHEDLO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000811506256 889697798 /nfs/dbraw/zinc/69/77/98/889697798.db2.gz OFKSIGPFOFGSHL-AWEZNQCLSA-N 1 2 380.288 3.504 20 30 GHEDLO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000811506256 889697805 /nfs/dbraw/zinc/69/78/05/889697805.db2.gz OFKSIGPFOFGSHL-AWEZNQCLSA-N 1 2 380.288 3.504 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000533279182 890155738 /nfs/dbraw/zinc/15/57/38/890155738.db2.gz NFSUINMUHTXNJI-UHFFFAOYSA-N 1 2 392.286 3.688 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000533279182 890155742 /nfs/dbraw/zinc/15/57/42/890155742.db2.gz NFSUINMUHTXNJI-UHFFFAOYSA-N 1 2 392.286 3.688 20 30 GHEDLO C=C[C@@H](CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)c1ccccc1 ZINC000126159017 890389527 /nfs/dbraw/zinc/38/95/27/890389527.db2.gz DQCWXCZHYPBQIS-IBGZPJMESA-N 1 2 378.520 3.917 20 30 GHEDLO CN(C)S(=O)(=O)c1ccc(N[NH+]=CC=C2N(C)c3ccccc3C2(C)C)cc1 ZINC000812231655 890423937 /nfs/dbraw/zinc/42/39/37/890423937.db2.gz YLXMOZZQIQJRGT-GKRQJNALSA-N 1 2 398.532 3.646 20 30 GHEDLO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(OCC3CCCCC3)CC2)C1=O ZINC000533428330 890537419 /nfs/dbraw/zinc/53/74/19/890537419.db2.gz JXBSQFJNNMCGGK-LJQANCHMSA-N 1 2 387.549 3.786 20 30 GHEDLO C#C[C@@H](NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(F)cc1 ZINC000812937211 891147681 /nfs/dbraw/zinc/14/76/81/891147681.db2.gz VIGVXBASEDNMTA-FXAWDEMLSA-N 1 2 380.467 3.622 20 30 GHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c1=S ZINC000747833487 891214936 /nfs/dbraw/zinc/21/49/36/891214936.db2.gz XCDMEMBQKAQEIK-MOPGFXCFSA-N 1 2 399.564 3.758 20 30 GHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c1=S ZINC000747833487 891214943 /nfs/dbraw/zinc/21/49/43/891214943.db2.gz XCDMEMBQKAQEIK-MOPGFXCFSA-N 1 2 399.564 3.758 20 30 GHEDLO Cn1cc(C[NH2+]Cc2noc3c2CC(C)(C)CC3)c(-c2ccc(C#N)cc2)n1 ZINC000873174334 891500354 /nfs/dbraw/zinc/50/03/54/891500354.db2.gz FHHODAWEDYCHFT-UHFFFAOYSA-N 1 2 375.476 3.751 20 30 GHEDLO Cc1cc(C(=O)[C@@H](C)[NH+]2CCC3(CC2)CC(=O)C=CO3)c(C)n1Cc1ccco1 ZINC000933653120 893118465 /nfs/dbraw/zinc/11/84/65/893118465.db2.gz QIYXCKFOYBYWJO-GOSISDBHSA-N 1 2 396.487 3.655 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3ccc(Cl)c4occc43)CC2)cc1 ZINC001135336295 894407824 /nfs/dbraw/zinc/40/78/24/894407824.db2.gz WHNBAHJKEWCIJV-UHFFFAOYSA-N 1 2 379.847 3.916 20 30 GHEDLO C[C@H](c1cccc(NC(=O)N(C)CCc2cccc(C#N)c2)c1)[NH+]1CCOCC1 ZINC000878627505 894453755 /nfs/dbraw/zinc/45/37/55/894453755.db2.gz PRULXZMNKXYWCA-GOSISDBHSA-N 1 2 392.503 3.658 20 30 GHEDLO Cc1cccc([C@@H](C)NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000564048982 894518641 /nfs/dbraw/zinc/51/86/41/894518641.db2.gz DJQWAHMRIUSQFS-LJQANCHMSA-N 1 2 376.504 3.764 20 30 GHEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816498591 894878479 /nfs/dbraw/zinc/87/84/79/894878479.db2.gz AYJSWMHWZBZMBW-UHFFFAOYSA-N 1 2 396.853 3.927 20 30 GHEDLO N#Cc1cccc(-c2cc(C(=O)N[C@H]3CC[C@H](Nc4cccc[nH+]4)CC3)on2)c1 ZINC000565149323 895425186 /nfs/dbraw/zinc/42/51/86/895425186.db2.gz ZSLBTWYHRMAAAE-IYARVYRRSA-N 1 2 387.443 3.761 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000880319245 895635373 /nfs/dbraw/zinc/63/53/73/895635373.db2.gz DIZJBGRGGRFWEW-CABCVRRESA-N 1 2 386.546 3.823 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@H](c2nccs2)C1 ZINC000880319245 895635379 /nfs/dbraw/zinc/63/53/79/895635379.db2.gz DIZJBGRGGRFWEW-CABCVRRESA-N 1 2 386.546 3.823 20 30 GHEDLO CC[C@@H](C#N)Oc1cccc(CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC000819878799 897026683 /nfs/dbraw/zinc/02/66/83/897026683.db2.gz JKAMNQXJCIWZOV-FPOVZHCZSA-N 1 2 388.471 3.929 20 30 GHEDLO C/C(=C/C(=O)Nc1ccc(Oc2ccccc2C#N)cc1)C[NH+]1CCOCC1 ZINC001136397617 897639442 /nfs/dbraw/zinc/63/94/42/897639442.db2.gz JVTSBQDHSFWXRG-VKAVYKQESA-N 1 2 377.444 3.568 20 30 GHEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000822700382 898573074 /nfs/dbraw/zinc/57/30/74/898573074.db2.gz DPRMURHDUZZIHO-GFCCVEGCSA-N 1 2 381.263 3.512 20 30 GHEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000111736278 898823258 /nfs/dbraw/zinc/82/32/58/898823258.db2.gz BUEPHYIVBCIMIJ-UHFFFAOYSA-N 1 2 393.491 3.566 20 30 GHEDLO N#CCc1ccc(CS(=O)(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)cc1 ZINC000570044340 899088450 /nfs/dbraw/zinc/08/84/50/899088450.db2.gz FTADACWEJJKSOJ-UHFFFAOYSA-N 1 2 394.500 3.771 20 30 GHEDLO COc1ccc(C(=O)C2CC[NH+](Cc3ccc(C#N)cc3[N+](=O)[O-])CC2)cc1 ZINC000570282806 899240972 /nfs/dbraw/zinc/24/09/72/899240972.db2.gz FEHUSFBDROMNGR-UHFFFAOYSA-N 1 2 379.416 3.570 20 30 GHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)c1=S ZINC000884483071 900128121 /nfs/dbraw/zinc/12/81/21/900128121.db2.gz NCHBSUJMSHSTEI-RBUKOAKNSA-N 1 2 384.549 3.649 20 30 GHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)c1=S ZINC000884483071 900128128 /nfs/dbraw/zinc/12/81/28/900128128.db2.gz NCHBSUJMSHSTEI-RBUKOAKNSA-N 1 2 384.549 3.649 20 30 GHEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CCC[C@@]2(C[C@@H](Oc3ccccn3)CO2)C1 ZINC001143722906 900442314 /nfs/dbraw/zinc/44/23/14/900442314.db2.gz LETBVWIGFOZDBZ-DYESRHJHSA-N 1 2 383.879 3.809 20 30 GHEDLO N#Cc1cccc(Cl)c1C[N@H+]1CCC[C@@]2(C[C@@H](Oc3ccccn3)CO2)C1 ZINC001143722906 900442320 /nfs/dbraw/zinc/44/23/20/900442320.db2.gz LETBVWIGFOZDBZ-DYESRHJHSA-N 1 2 383.879 3.809 20 30 GHEDLO Cc1[nH+]c2cc(NS(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)ccc2n1C ZINC000573400900 900497267 /nfs/dbraw/zinc/49/72/67/900497267.db2.gz WVNOTAFBEOUZHW-UHFFFAOYSA-N 1 2 394.378 3.573 20 30 GHEDLO C[C@@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)cc2F)C[C@@]1(O)C(F)(F)F ZINC001143780658 900524354 /nfs/dbraw/zinc/52/43/54/900524354.db2.gz CFARZUXVYMQOML-RNCFNFMXSA-N 1 2 375.284 3.860 20 30 GHEDLO C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2F)C[C@@]1(O)C(F)(F)F ZINC001143780658 900524361 /nfs/dbraw/zinc/52/43/61/900524361.db2.gz CFARZUXVYMQOML-RNCFNFMXSA-N 1 2 375.284 3.860 20 30 GHEDLO Cc1ncc(C#N)cc1NC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1 ZINC001186308501 914461845 /nfs/dbraw/zinc/46/18/45/914461845.db2.gz XTWXSRIOXVKBIZ-QHCPKHFHSA-N 1 2 382.467 3.827 20 30 GHEDLO Cc1ncc(C#N)cc1NC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1 ZINC001186308501 914461851 /nfs/dbraw/zinc/46/18/51/914461851.db2.gz XTWXSRIOXVKBIZ-QHCPKHFHSA-N 1 2 382.467 3.827 20 30 GHEDLO Cc1sc2[nH]c([C@H](C)[N@H+](C)C[C@@H](O)c3cccc(C#N)c3)nc(=O)c2c1C ZINC000844365817 900777454 /nfs/dbraw/zinc/77/74/54/900777454.db2.gz IQBBLZIERVXRRE-BLLLJJGKSA-N 1 2 382.489 3.612 20 30 GHEDLO Cc1sc2[nH]c([C@H](C)[N@@H+](C)C[C@@H](O)c3cccc(C#N)c3)nc(=O)c2c1C ZINC000844365817 900777462 /nfs/dbraw/zinc/77/74/62/900777462.db2.gz IQBBLZIERVXRRE-BLLLJJGKSA-N 1 2 382.489 3.612 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844437582 900858900 /nfs/dbraw/zinc/85/89/00/900858900.db2.gz NXLURBLKJSREQX-KSSFIOAISA-N 1 2 379.476 3.998 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844437582 900858903 /nfs/dbraw/zinc/85/89/03/900858903.db2.gz NXLURBLKJSREQX-KSSFIOAISA-N 1 2 379.476 3.998 20 30 GHEDLO COc1ccc2[nH]cc(C3CC[NH+](CC(=O)Nc4sccc4C#N)CC3)c2c1 ZINC000066436835 901001862 /nfs/dbraw/zinc/00/18/62/901001862.db2.gz GYDKPYPKZGZXHZ-UHFFFAOYSA-N 1 2 394.500 3.928 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(c3cccc(OCc4ccccc4)c3)CC2)nc1 ZINC001144169776 901216258 /nfs/dbraw/zinc/21/62/58/901216258.db2.gz WLEJYZYKOHYDCU-UHFFFAOYSA-N 1 2 384.483 3.854 20 30 GHEDLO CN(CCC#N)c1ccc(CNc2ccccc2OCCn2cc[nH+]c2)cc1 ZINC000122634388 901815438 /nfs/dbraw/zinc/81/54/38/901815438.db2.gz RKTYZURTXYXQPT-UHFFFAOYSA-N 1 2 375.476 3.924 20 30 GHEDLO N#CCc1ccc(OCc2cccc(NC(=O)[C@H]3CCc4c[nH+]cn4C3)c2)cc1 ZINC000576470121 902039373 /nfs/dbraw/zinc/03/93/73/902039373.db2.gz YPANMCIRAPSSPD-IBGZPJMESA-N 1 2 386.455 3.729 20 30 GHEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000048161921 902982812 /nfs/dbraw/zinc/98/28/12/902982812.db2.gz DNKOKTYZWBJMSU-KRWDZBQOSA-N 1 2 389.459 3.738 20 30 GHEDLO Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000600840406 902986874 /nfs/dbraw/zinc/98/68/74/902986874.db2.gz GEFOFKAIOPCRGX-FQEVSTJZSA-N 1 2 390.531 3.710 20 30 GHEDLO Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000600840406 902986877 /nfs/dbraw/zinc/98/68/77/902986877.db2.gz GEFOFKAIOPCRGX-FQEVSTJZSA-N 1 2 390.531 3.710 20 30 GHEDLO COc1cc([C@@H](C)[NH2+]Cc2nc(C#N)cs2)ccc1OCc1ccncc1 ZINC000577683932 903046945 /nfs/dbraw/zinc/04/69/45/903046945.db2.gz JZTPGGXLAWLHOX-CQSZACIVSA-N 1 2 380.473 3.848 20 30 GHEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171506706 904782175 /nfs/dbraw/zinc/78/21/75/904782175.db2.gz ZDWWRALTSKNOCB-APWZRJJASA-N 1 2 389.417 3.891 20 30 GHEDLO C#CCOc1ccccc1NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000188057225 904866148 /nfs/dbraw/zinc/86/61/48/904866148.db2.gz ASZDLNUTAIFICR-IFMALSPDSA-N 1 2 386.455 3.945 20 30 GHEDLO C#CCCOc1ccc(C[NH2+][C@H](C)c2nc(-c3cccc(OC)c3)no2)cc1 ZINC000174656520 905317249 /nfs/dbraw/zinc/31/72/49/905317249.db2.gz ZMRVXFSCXDURIQ-MRXNPFEDSA-N 1 2 377.444 3.998 20 30 GHEDLO CC(C)n1c[nH+]cc1/C=C\C(=O)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 ZINC000901477971 921144095 /nfs/dbraw/zinc/14/40/95/921144095.db2.gz RAQYQYMLCNCPNL-YVMONPNESA-N 1 2 386.395 3.696 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)cc1OC ZINC000628257246 906028734 /nfs/dbraw/zinc/02/87/34/906028734.db2.gz FXNAZNQPRODEBO-YWZLYKJASA-N 1 2 381.900 3.683 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)cc1OC ZINC000628257246 906028743 /nfs/dbraw/zinc/02/87/43/906028743.db2.gz FXNAZNQPRODEBO-YWZLYKJASA-N 1 2 381.900 3.683 20 30 GHEDLO C[C@H]1c2ncc(COCC3CCOCC3)n2CC[N@@H+]1C1CCC(CC#N)CC1 ZINC001173332747 906375192 /nfs/dbraw/zinc/37/51/92/906375192.db2.gz FIMKVWXNODKSAS-ZJRDLVKKSA-N 1 2 386.540 3.675 20 30 GHEDLO C[C@H]1c2ncc(COCC3CCOCC3)n2CC[N@H+]1C1CCC(CC#N)CC1 ZINC001173332747 906375208 /nfs/dbraw/zinc/37/52/08/906375208.db2.gz FIMKVWXNODKSAS-ZJRDLVKKSA-N 1 2 386.540 3.675 20 30 GHEDLO N#Cc1cc(Cl)c(Nc2cnn(CC[NH+]3CCOCC3)c2)cc1C(F)(F)F ZINC001174493460 907050336 /nfs/dbraw/zinc/05/03/36/907050336.db2.gz DQYLRPUHFHWVIZ-UHFFFAOYSA-N 1 2 399.804 3.503 20 30 GHEDLO N#Cc1ccc(Br)c(CNc2ccccc2C[NH+]2CCOCC2)c1 ZINC000191695850 907160283 /nfs/dbraw/zinc/16/02/83/907160283.db2.gz NYDCYUMAQAULMN-UHFFFAOYSA-N 1 2 386.293 3.765 20 30 GHEDLO CC(C)n1c[nH+]cc1/C=C1\CN(C(=O)C(F)(F)F)Cc2ccccc2C1=O ZINC000901539913 921337786 /nfs/dbraw/zinc/33/77/86/921337786.db2.gz RUTIGZUVSHDYIL-VGOFMYFVSA-N 1 2 377.366 3.635 20 30 GHEDLO Cc1cc(Oc2cc(Cl)ccc2C[N@H+](C)CC(=O)NCC#N)ccc1F ZINC001175829043 907751896 /nfs/dbraw/zinc/75/18/96/907751896.db2.gz DQWOMUMNKXHHKH-UHFFFAOYSA-N 1 2 375.831 3.651 20 30 GHEDLO Cc1cc(Oc2cc(Cl)ccc2C[N@@H+](C)CC(=O)NCC#N)ccc1F ZINC001175829043 907751900 /nfs/dbraw/zinc/75/19/00/907751900.db2.gz DQWOMUMNKXHHKH-UHFFFAOYSA-N 1 2 375.831 3.651 20 30 GHEDLO CCCCCCCCCCCC(=O)N(C)CC(=O)N1CCc2[nH+]ccn2CC1 ZINC001181358129 910722662 /nfs/dbraw/zinc/72/26/62/910722662.db2.gz UNZQVAQNBPHABX-UHFFFAOYSA-N 1 2 390.572 3.647 20 30 GHEDLO C=CCOc1ccc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1OC ZINC000283189794 911405451 /nfs/dbraw/zinc/40/54/51/911405451.db2.gz FPALPXKHVZIHAT-GOSISDBHSA-N 1 2 395.503 3.813 20 30 GHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCS[C@H](C)[C@@H]2C)c1C#N ZINC000303694649 915060956 /nfs/dbraw/zinc/06/09/56/915060956.db2.gz MYZQGYUUPZFWGI-ZWKOTPCHSA-N 1 2 396.560 3.789 20 30 GHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCS[C@H](C)[C@@H]2C)c1C#N ZINC000303694649 915060976 /nfs/dbraw/zinc/06/09/76/915060976.db2.gz MYZQGYUUPZFWGI-ZWKOTPCHSA-N 1 2 396.560 3.789 20 30 GHEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(F)ccc1Br ZINC001275722317 916383149 /nfs/dbraw/zinc/38/31/49/916383149.db2.gz NONYNWOHIVTYPL-SFHVURJKSA-N 1 2 381.289 3.731 20 30 GHEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)ccc1Br ZINC001275722317 916383154 /nfs/dbraw/zinc/38/31/54/916383154.db2.gz NONYNWOHIVTYPL-SFHVURJKSA-N 1 2 381.289 3.731 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC([C@@H](O)c3ccccc3C)CC2)c(C#N)c1C ZINC000796407510 916617021 /nfs/dbraw/zinc/61/70/21/916617021.db2.gz MBPXHHOPFFTEMA-IIBYNOLFSA-N 1 2 395.503 3.849 20 30 GHEDLO C=C(C)Cc1ccc(C(=O)N2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)cc1 ZINC001190216535 917201855 /nfs/dbraw/zinc/20/18/55/917201855.db2.gz IJYXMQBQPBAPAX-UHFFFAOYSA-N 1 2 394.515 3.905 20 30 GHEDLO C=C(C)Cc1ccc(C(=O)N2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)cc1 ZINC001190216535 917201865 /nfs/dbraw/zinc/20/18/65/917201865.db2.gz IJYXMQBQPBAPAX-UHFFFAOYSA-N 1 2 394.515 3.905 20 30 GHEDLO N#CC[C@@H]1CC[C@H](NC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000295569224 917362186 /nfs/dbraw/zinc/36/21/86/917362186.db2.gz OVZJROLENOSMOA-WBAXXEDZSA-N 1 2 390.325 3.785 20 30 GHEDLO C#CC[N@@H+](CC)CC(=O)Nc1sc(C)c(-c2ccccc2)c1C(=O)OCC ZINC001191389988 917949920 /nfs/dbraw/zinc/94/99/20/917949920.db2.gz IEXMIPLLYQXBOU-UHFFFAOYSA-N 1 2 384.501 3.794 20 30 GHEDLO C#CC[N@H+](CC)CC(=O)Nc1sc(C)c(-c2ccccc2)c1C(=O)OCC ZINC001191389988 917949937 /nfs/dbraw/zinc/94/99/37/917949937.db2.gz IEXMIPLLYQXBOU-UHFFFAOYSA-N 1 2 384.501 3.794 20 30 GHEDLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H](C#N)c3ccc(Cl)cc3)cn2c1 ZINC000114688658 919411037 /nfs/dbraw/zinc/41/10/37/919411037.db2.gz JFMIDPKKQWWCSI-KRWDZBQOSA-N 1 2 384.892 3.910 20 30 GHEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2cn(CCCC#N)c3ccccc23)C1 ZINC000365524112 920904983 /nfs/dbraw/zinc/90/49/83/920904983.db2.gz SNJNEDHZKMEDFC-GOSISDBHSA-N 1 2 389.503 3.773 20 30 GHEDLO N#Cc1cccc(C2([NH2+]Cc3nc4sc5c(c4c(N)n3)CCCC5)CC2)c1 ZINC000298864107 921004944 /nfs/dbraw/zinc/00/49/44/921004944.db2.gz JDSNPNNEGJKWBS-UHFFFAOYSA-N 1 2 375.501 3.803 20 30 GHEDLO Cc1n[nH]cc1C1CC[NH+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000366954259 921836926 /nfs/dbraw/zinc/83/69/26/921836926.db2.gz WMGXNIRNCJZOIB-HNNXBMFYSA-N 1 2 397.548 3.788 20 30 GHEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000368781439 922869996 /nfs/dbraw/zinc/86/99/96/922869996.db2.gz SSKCFQSTLHYJTE-UHFFFAOYSA-N 1 2 390.491 3.992 20 30 GHEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000368916309 922971004 /nfs/dbraw/zinc/97/10/04/922971004.db2.gz YMKINEYJCMJBGU-UHFFFAOYSA-N 1 2 375.476 3.750 20 30 GHEDLO C[C@@H]1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)C[C@H]1n1cc[nH+]c1 ZINC000368942854 922993181 /nfs/dbraw/zinc/99/31/81/922993181.db2.gz ZPJAPQXIVZMLKA-DYESRHJHSA-N 1 2 375.476 3.865 20 30 GHEDLO CC(C)[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000009870255 923530925 /nfs/dbraw/zinc/53/09/25/923530925.db2.gz UETFHMPVFRCPFM-JOCHJYFZSA-N 1 2 394.494 3.922 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)CC2)cc1 ZINC000010085743 923812329 /nfs/dbraw/zinc/81/23/29/923812329.db2.gz BMNQEUZSGIWZFY-WOJBJXKFSA-N 1 2 379.891 3.660 20 30 GHEDLO C[C@H](NC(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1)c1cccc2ccccc21 ZINC000370306432 924023717 /nfs/dbraw/zinc/02/37/17/924023717.db2.gz AXFMZWDJZFXNOE-IBGZPJMESA-N 1 2 398.510 3.969 20 30 GHEDLO C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000678670011 924879835 /nfs/dbraw/zinc/87/98/35/924879835.db2.gz OIKFNRJMKVDFPF-UHFFFAOYSA-N 1 2 399.454 3.553 20 30 GHEDLO C[C@@]1(C#N)CCC[N@H+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC000680104549 925364805 /nfs/dbraw/zinc/36/48/05/925364805.db2.gz MJBSLPUYQXOPRM-QHCPKHFHSA-N 1 2 375.472 3.872 20 30 GHEDLO C[C@@]1(C#N)CCC[N@@H+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC000680104549 925364814 /nfs/dbraw/zinc/36/48/14/925364814.db2.gz MJBSLPUYQXOPRM-QHCPKHFHSA-N 1 2 375.472 3.872 20 30 GHEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000411141850 926115076 /nfs/dbraw/zinc/11/50/76/926115076.db2.gz VOUMVTNCXPMBRI-INIZCTEOSA-N 1 2 383.517 3.890 20 30 GHEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000411141850 926115080 /nfs/dbraw/zinc/11/50/80/926115080.db2.gz VOUMVTNCXPMBRI-INIZCTEOSA-N 1 2 383.517 3.890 20 30 GHEDLO C=C(C)CN1CC2(CCC1=O)CC[NH+](Cc1cnc(SC)nc1Cl)CC2 ZINC001276193011 927068561 /nfs/dbraw/zinc/06/85/61/927068561.db2.gz UUPWNAFTGCHLEN-UHFFFAOYSA-N 1 2 394.972 3.633 20 30 GHEDLO CC(N=Nc1nc(Br)cn2ccnc12)c1ccc(-n2cc[nH+]c2)cc1 ZINC000749863511 927318843 /nfs/dbraw/zinc/31/88/43/927318843.db2.gz ZWGANFSHQMAIHK-UHFFFAOYSA-N 1 2 396.252 3.514 20 30 GHEDLO Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCC[N@@H+]1CCCSCC#N ZINC000374821167 927562399 /nfs/dbraw/zinc/56/23/99/927562399.db2.gz BSQJSVVBRYQSGV-FQEVSTJZSA-N 1 2 384.549 3.568 20 30 GHEDLO Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCC[N@H+]1CCCSCC#N ZINC000374821167 927562406 /nfs/dbraw/zinc/56/24/06/927562406.db2.gz BSQJSVVBRYQSGV-FQEVSTJZSA-N 1 2 384.549 3.568 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=S)NC34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000750980548 927963888 /nfs/dbraw/zinc/96/38/88/927963888.db2.gz JPZGEUPCQUFISL-UHFFFAOYSA-N 1 2 394.588 3.519 20 30 GHEDLO NC(=[NH+]OCC(=O)Nc1ccc(-c2ccccc2)cc1)c1ccc2c(c1)CCO2 ZINC000753831155 929555641 /nfs/dbraw/zinc/55/56/41/929555641.db2.gz YNIAKAFJWOEJAZ-UHFFFAOYSA-N 1 2 387.439 3.564 20 30 GHEDLO COc1cccc(-c2nn(C(C)(C)C)cc2C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)c1 ZINC000753930903 929599136 /nfs/dbraw/zinc/59/91/36/929599136.db2.gz XFIRVCQNBXMGPB-KDURUIRLSA-N 1 2 394.523 3.508 20 30 GHEDLO CC(=NNC1=[NH+][C@@H]2CCCC[C@H]2N1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000753935044 929600725 /nfs/dbraw/zinc/60/07/25/929600725.db2.gz MHDJGCMNYGFHMN-HUUCEWRRSA-N 1 2 383.477 3.907 20 30 GHEDLO COc1cc(F)cc(N[NH+]=Cc2c(C)c(C#N)c3[nH]c4ccccc4n3c2=O)c1 ZINC000759206446 930309084 /nfs/dbraw/zinc/30/90/84/930309084.db2.gz LSFWGZKREHHVSA-UHFFFAOYSA-N 1 2 389.390 3.555 20 30 GHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470032608 930332211 /nfs/dbraw/zinc/33/22/11/930332211.db2.gz WQPSOEIGAZBPRP-KDOFPFPSSA-N 1 2 384.307 3.501 20 30 GHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470032608 930332217 /nfs/dbraw/zinc/33/22/17/930332217.db2.gz WQPSOEIGAZBPRP-KDOFPFPSSA-N 1 2 384.307 3.501 20 30 GHEDLO CC[N@H+](C)[C@@H](C(=O)OCCOc1c(C#N)cnc2ccccc21)c1ccccc1 ZINC000780340318 930453981 /nfs/dbraw/zinc/45/39/81/930453981.db2.gz QMNKPWGPKYLPTK-OAQYLSRUSA-N 1 2 389.455 3.721 20 30 GHEDLO CC[N@@H+](C)[C@@H](C(=O)OCCOc1c(C#N)cnc2ccccc21)c1ccccc1 ZINC000780340318 930453982 /nfs/dbraw/zinc/45/39/82/930453982.db2.gz QMNKPWGPKYLPTK-OAQYLSRUSA-N 1 2 389.455 3.721 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccccc1)Cc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1 ZINC000470926416 931039570 /nfs/dbraw/zinc/03/95/70/931039570.db2.gz QCPDGUHTASUROB-UHFFFAOYSA-N 1 2 377.444 3.700 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccccc1)Cc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1 ZINC000470926416 931039580 /nfs/dbraw/zinc/03/95/80/931039580.db2.gz QCPDGUHTASUROB-UHFFFAOYSA-N 1 2 377.444 3.700 20 30 GHEDLO C=CCS(=O)(=O)CC[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000782968656 931377787 /nfs/dbraw/zinc/37/77/87/931377787.db2.gz LIIMFMZJKAVJCL-UHFFFAOYSA-N 1 2 390.452 3.519 20 30 GHEDLO C=CCS(=O)(=O)CC[NH2+][C@@H](c1ccc(OC)cc1)c1ccccc1Cl ZINC000783536247 931575228 /nfs/dbraw/zinc/57/52/28/931575228.db2.gz JPLDYSHZHNRMML-IBGZPJMESA-N 1 2 379.909 3.628 20 30 GHEDLO C=CCn1c2nn(C[N@H+](C)C[C@H]3CC=CCC3)c(=S)n2c2ccccc2c1=O ZINC000784015728 931756174 /nfs/dbraw/zinc/75/61/74/931756174.db2.gz QJEURBWWERYABM-INIZCTEOSA-N 1 2 395.532 3.612 20 30 GHEDLO C=CCn1c2nn(C[N@@H+](C)C[C@H]3CC=CCC3)c(=S)n2c2ccccc2c1=O ZINC000784015728 931756181 /nfs/dbraw/zinc/75/61/81/931756181.db2.gz QJEURBWWERYABM-INIZCTEOSA-N 1 2 395.532 3.612 20 30 GHEDLO COc1cc(C[N@H+](C)Cc2ccc(Br)cc2C#N)cc(OC)c1 ZINC000558084326 931833314 /nfs/dbraw/zinc/83/33/14/931833314.db2.gz VTHBWONWPDWDSM-UHFFFAOYSA-N 1 2 375.266 3.970 20 30 GHEDLO COc1cc(C[N@@H+](C)Cc2ccc(Br)cc2C#N)cc(OC)c1 ZINC000558084326 931833321 /nfs/dbraw/zinc/83/33/21/931833321.db2.gz VTHBWONWPDWDSM-UHFFFAOYSA-N 1 2 375.266 3.970 20 30 GHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)O[C@@H](C)COc1cccc(C#N)c1 ZINC000796709283 932038329 /nfs/dbraw/zinc/03/83/29/932038329.db2.gz CJGMAADNBKXLJX-LBPRGKRZSA-N 1 2 385.370 3.505 20 30 GHEDLO C=CCOc1ccccc1CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000558656962 932143666 /nfs/dbraw/zinc/14/36/66/932143666.db2.gz PHZXQZPJJUNLDH-LJQANCHMSA-N 1 2 394.519 3.873 20 30 GHEDLO C#CCOc1ccc([C@H](C)[NH2+]C2(c3ncc(Br)cn3)CCC2)cc1 ZINC000927146323 932430596 /nfs/dbraw/zinc/43/05/96/932430596.db2.gz VHKABFJBJUWTFE-AWEZNQCLSA-N 1 2 386.293 3.981 20 30 GHEDLO N#Cc1cc(F)c(C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)c(F)c1 ZINC000798130611 932541532 /nfs/dbraw/zinc/54/15/32/932541532.db2.gz VUCNGRRBDYJYBC-CQSZACIVSA-N 1 2 384.430 3.895 20 30 GHEDLO N#Cc1cc(F)c(C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)c(F)c1 ZINC000798130611 932541539 /nfs/dbraw/zinc/54/15/39/932541539.db2.gz VUCNGRRBDYJYBC-CQSZACIVSA-N 1 2 384.430 3.895 20 30 GHEDLO Cc1cc(C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)ccc1Br ZINC000798274184 932588276 /nfs/dbraw/zinc/58/82/76/932588276.db2.gz WGQGWAOODNARBO-HOCLYGCPSA-N 1 2 394.313 3.606 20 30 GHEDLO Cc1ccn(C[NH+]2CCC(c3cccc(Br)c3)CC2)c(=O)c1C#N ZINC000799165474 932895249 /nfs/dbraw/zinc/89/52/49/932895249.db2.gz GVQKHOADNCYYGK-UHFFFAOYSA-N 1 2 386.293 3.628 20 30 GHEDLO N#CC1(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CCSCC1 ZINC000930207449 933892585 /nfs/dbraw/zinc/89/25/85/933892585.db2.gz NPMDQIZEDNANJA-INIZCTEOSA-N 1 2 395.931 3.769 20 30 GHEDLO C#C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccnc1)c1ccc(Cl)cc1F ZINC001117291163 933920974 /nfs/dbraw/zinc/92/09/74/933920974.db2.gz XFJKPJZOEGRPCL-UXHICEINSA-N 1 2 385.870 3.719 20 30 GHEDLO C#C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1cccnc1)c1ccc(Cl)cc1F ZINC001117291163 933920981 /nfs/dbraw/zinc/92/09/81/933920981.db2.gz XFJKPJZOEGRPCL-UXHICEINSA-N 1 2 385.870 3.719 20 30 GHEDLO CC(C)[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1cc(Br)ccc1F ZINC000561809771 934470724 /nfs/dbraw/zinc/47/07/24/934470724.db2.gz BJELTMUQJZQQIM-GOSISDBHSA-N 1 2 398.320 3.853 20 30 GHEDLO CC(C)[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1cc(Br)ccc1F ZINC000561809771 934470730 /nfs/dbraw/zinc/47/07/30/934470730.db2.gz BJELTMUQJZQQIM-GOSISDBHSA-N 1 2 398.320 3.853 20 30 GHEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N(C)CCc1nccs1 ZINC001121682655 934737467 /nfs/dbraw/zinc/73/74/67/934737467.db2.gz ULWJBSNUZXECFH-QGZVFWFLSA-N 1 2 396.564 3.793 20 30 GHEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N(C)CCc1nccs1 ZINC001121682655 934737469 /nfs/dbraw/zinc/73/74/69/934737469.db2.gz ULWJBSNUZXECFH-QGZVFWFLSA-N 1 2 396.564 3.793 20 30 GHEDLO C=C[C@@](C)(O)CC(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000562175629 934745159 /nfs/dbraw/zinc/74/51/59/934745159.db2.gz GZHWIGORGUPOOD-DHIUTWEWSA-N 1 2 398.934 3.901 20 30 GHEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCC(Nc2cccc(C)c2)CC1 ZINC001122487940 934881781 /nfs/dbraw/zinc/88/17/81/934881781.db2.gz LSPKCNAGFYVAPW-UHFFFAOYSA-N 1 2 394.567 3.839 20 30 GHEDLO Cc1ccc(CN(C)c2nnc(C3CC[NH+](CCC#N)CC3)n2CC2CC2)s1 ZINC001123632330 935242305 /nfs/dbraw/zinc/24/23/05/935242305.db2.gz AMWXPKOQWVWCLT-UHFFFAOYSA-N 1 2 398.580 3.788 20 30 GHEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(Cl)c(Cl)c1OC ZINC001276815807 1032094074 /nfs/dbraw/zinc/09/40/74/1032094074.db2.gz SJUCPODUQDSTHA-IBGZPJMESA-N 1 2 381.303 3.592 20 30 GHEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(Cl)c(Cl)c1OC ZINC001276815807 1032094090 /nfs/dbraw/zinc/09/40/90/1032094090.db2.gz SJUCPODUQDSTHA-IBGZPJMESA-N 1 2 381.303 3.592 20 30 GHEDLO CC1(c2ccccc2)CC(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000545245595 1015699850 /nfs/dbraw/zinc/69/98/50/1015699850.db2.gz ZSEIWKSAERTBAH-UHFFFAOYSA-N 1 2 388.515 3.506 20 30 GHEDLO CSc1ccccc1C[N@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000471010681 1016940666 /nfs/dbraw/zinc/94/06/66/1016940666.db2.gz YBSHYLSYUAVYRU-UHFFFAOYSA-N 1 2 391.500 3.536 20 30 GHEDLO CSc1ccccc1C[N@@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000471010681 1016940667 /nfs/dbraw/zinc/94/06/67/1016940667.db2.gz YBSHYLSYUAVYRU-UHFFFAOYSA-N 1 2 391.500 3.536 20 30 GHEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000562793764 1018648501 /nfs/dbraw/zinc/64/85/01/1018648501.db2.gz YUKVWLZQUSIJHX-UHFFFAOYSA-N 1 2 394.475 3.583 20 30 GHEDLO Cc1csc(C2([NH2+]Cc3cc(=O)n4c5ccccc5[nH]c4c3C#N)CCC2)n1 ZINC000778127256 1018709376 /nfs/dbraw/zinc/70/93/76/1018709376.db2.gz BVJZCKJUTUWLOR-HNNXBMFYSA-N 1 2 389.484 3.658 20 30 GHEDLO N#Cc1cccc(C(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c1Br ZINC000563333206 1018904391 /nfs/dbraw/zinc/90/43/91/1018904391.db2.gz IWXFQCQRUMVHRO-SHTZXODSSA-N 1 2 399.292 3.869 20 30 GHEDLO N#Cc1ccccc1CN1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001204367960 1032808458 /nfs/dbraw/zinc/80/84/58/1032808458.db2.gz GYWMKECWJDYWQY-KRWDZBQOSA-N 1 2 397.276 3.542 20 30 GHEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000565680670 1019195056 /nfs/dbraw/zinc/19/50/56/1019195056.db2.gz DMCYOCMJHPAKPZ-UHFFFAOYSA-N 1 2 382.851 3.509 20 30 GHEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000565680670 1019195063 /nfs/dbraw/zinc/19/50/63/1019195063.db2.gz DMCYOCMJHPAKPZ-UHFFFAOYSA-N 1 2 382.851 3.509 20 30 GHEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(Br)cc1F)C2 ZINC001204554460 1032968069 /nfs/dbraw/zinc/96/80/69/1032968069.db2.gz PIZOBYXJIWROFG-WMZOPIPTSA-N 1 2 384.289 3.914 20 30 GHEDLO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(Br)cc1F)C2 ZINC001204554460 1032968073 /nfs/dbraw/zinc/96/80/73/1032968073.db2.gz PIZOBYXJIWROFG-WMZOPIPTSA-N 1 2 384.289 3.914 20 30 GHEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000755307849 1023184345 /nfs/dbraw/zinc/18/43/45/1023184345.db2.gz MYUZDGJYMCSGJN-GHTZIAJQSA-N 1 2 390.487 3.505 20 30 GHEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000755307849 1023184356 /nfs/dbraw/zinc/18/43/56/1023184356.db2.gz MYUZDGJYMCSGJN-GHTZIAJQSA-N 1 2 390.487 3.505 20 30 GHEDLO C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1sc(N)c(C#N)c1Cl ZINC001141113662 1023530129 /nfs/dbraw/zinc/53/01/29/1023530129.db2.gz NUONRPHNZQWFNF-PWSUYJOCSA-N 1 2 384.933 3.733 20 30 GHEDLO C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1sc(N)c(C#N)c1Cl ZINC001141113662 1023530133 /nfs/dbraw/zinc/53/01/33/1023530133.db2.gz NUONRPHNZQWFNF-PWSUYJOCSA-N 1 2 384.933 3.733 20 30 GHEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3ccc4c(c3)oc(=O)cc4-c3ccc(F)cc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228899265 1033166096 /nfs/dbraw/zinc/16/60/96/1033166096.db2.gz QZFCJASWESLIFN-AOSBGOLQSA-N 1 2 393.414 3.590 20 30 GHEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc4c(c3)oc(=O)cc4-c3ccc(F)cc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001228899265 1033166100 /nfs/dbraw/zinc/16/61/00/1033166100.db2.gz QZFCJASWESLIFN-AOSBGOLQSA-N 1 2 393.414 3.590 20 30 GHEDLO C#CCOc1ccc(C[N@H+]2[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]2C)cc1OC ZINC001138343267 1024705557 /nfs/dbraw/zinc/70/55/57/1024705557.db2.gz ICVPSBZZKLIKIE-CALCHBBNSA-N 1 2 388.508 3.537 20 30 GHEDLO C#CCOc1ccc(C[N@@H+]2[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]2C)cc1OC ZINC001138343267 1024705571 /nfs/dbraw/zinc/70/55/71/1024705571.db2.gz ICVPSBZZKLIKIE-CALCHBBNSA-N 1 2 388.508 3.537 20 30 GHEDLO C=C(C)COc1ccccc1C[N@@H+]1Cc2nn(CC3CC3)cc2[C@H](COC)C1 ZINC001138661817 1025180893 /nfs/dbraw/zinc/18/08/93/1025180893.db2.gz HBSWEERESLPTHO-FQEVSTJZSA-N 1 2 381.520 3.994 20 30 GHEDLO C=C(C)COc1ccccc1C[N@H+]1Cc2nn(CC3CC3)cc2[C@H](COC)C1 ZINC001138661817 1025180903 /nfs/dbraw/zinc/18/09/03/1025180903.db2.gz HBSWEERESLPTHO-FQEVSTJZSA-N 1 2 381.520 3.994 20 30 GHEDLO C=CCCc1ccccc1NC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001138861096 1025482470 /nfs/dbraw/zinc/48/24/70/1025482470.db2.gz LOZBXEZKJNWORE-UHFFFAOYSA-N 1 2 387.524 3.733 20 30 GHEDLO COc1cc(C#N)ccc1C(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC001141600262 1025813576 /nfs/dbraw/zinc/81/35/76/1025813576.db2.gz VUKROHAUZQGCCL-UHFFFAOYSA-N 1 2 377.488 3.648 20 30 GHEDLO C=CCOC[C@@H]1C[N@H+](Cc2ccc3cccnc3c2)Cc2nnn(CC3CC3)c21 ZINC001139170310 1025992249 /nfs/dbraw/zinc/99/22/49/1025992249.db2.gz KXAIXXCUXLFVTH-FQEVSTJZSA-N 1 2 389.503 3.538 20 30 GHEDLO C=CCOC[C@@H]1C[N@@H+](Cc2ccc3cccnc3c2)Cc2nnn(CC3CC3)c21 ZINC001139170310 1025992258 /nfs/dbraw/zinc/99/22/58/1025992258.db2.gz KXAIXXCUXLFVTH-FQEVSTJZSA-N 1 2 389.503 3.538 20 30 GHEDLO CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1cc(C#N)ccc1Br ZINC001141662424 1026174632 /nfs/dbraw/zinc/17/46/32/1026174632.db2.gz JRAKVMBNTVAADF-UHFFFAOYSA-N 1 2 382.302 3.667 20 30 GHEDLO CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cc(C#N)ccc1Br ZINC001141662424 1026174640 /nfs/dbraw/zinc/17/46/40/1026174640.db2.gz JRAKVMBNTVAADF-UHFFFAOYSA-N 1 2 382.302 3.667 20 30 GHEDLO N#Cc1ccc(Oc2ccc(C[NH+]3CCN(c4ccc(C#N)cc4)CC3)cn2)cc1 ZINC001139425373 1026297184 /nfs/dbraw/zinc/29/71/84/1026297184.db2.gz LQVKPAACEIRDKO-UHFFFAOYSA-N 1 2 395.466 3.939 20 30 GHEDLO N#Cc1ccc(Oc2ccc(C[NH+]3CCC(O)(C(F)(F)F)CC3)cn2)cc1 ZINC001139427225 1026297979 /nfs/dbraw/zinc/29/79/79/1026297979.db2.gz ZDHCUGNBVCMOJM-UHFFFAOYSA-N 1 2 377.366 3.635 20 30 GHEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1C[C@@H](c2cccc(C(F)(F)F)c2)CC1=O ZINC000839957028 1026373727 /nfs/dbraw/zinc/37/37/27/1026373727.db2.gz BBEGPUWEXRGOQC-SFHVURJKSA-N 1 2 387.405 3.982 20 30 GHEDLO C[N@H+](Cc1cccc(C#N)c1)CN1C[C@@H](c2cccc(C(F)(F)F)c2)CC1=O ZINC000839957028 1026373745 /nfs/dbraw/zinc/37/37/45/1026373745.db2.gz BBEGPUWEXRGOQC-SFHVURJKSA-N 1 2 387.405 3.982 20 30 GHEDLO N#Cc1ccc(F)c(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001139646483 1026506940 /nfs/dbraw/zinc/50/69/40/1026506940.db2.gz VDFRBCVINGTKIO-UHFFFAOYSA-N 1 2 385.508 3.626 20 30 GHEDLO N#Cc1ccc(F)c(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001139646483 1026506949 /nfs/dbraw/zinc/50/69/49/1026506949.db2.gz VDFRBCVINGTKIO-UHFFFAOYSA-N 1 2 385.508 3.626 20 30 GHEDLO N#Cc1ccc(F)c(C[NH+]2CCC3(CC2)CN(Cc2cccs2)CCO3)c1 ZINC001139646483 1026506954 /nfs/dbraw/zinc/50/69/54/1026506954.db2.gz VDFRBCVINGTKIO-UHFFFAOYSA-N 1 2 385.508 3.626 20 30 GHEDLO N#Cc1ccc(F)c(CN2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001139646483 1026506963 /nfs/dbraw/zinc/50/69/63/1026506963.db2.gz VDFRBCVINGTKIO-UHFFFAOYSA-N 1 2 385.508 3.626 20 30 GHEDLO CN1C(=O)[C@H](c2cccnc2)CC12CC[NH+](Cc1cccc(Cl)c1C#N)CC2 ZINC001139689185 1026540682 /nfs/dbraw/zinc/54/06/82/1026540682.db2.gz KDMYPKQGXBKQAI-SFHVURJKSA-N 1 2 394.906 3.587 20 30 GHEDLO N#Cc1cc(F)cc(CN2CC[N@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)c1 ZINC001139878980 1026695845 /nfs/dbraw/zinc/69/58/45/1026695845.db2.gz DBKJOXFGZLJFCX-LJQANCHMSA-N 1 2 377.385 3.946 20 30 GHEDLO N#Cc1cc(F)cc(CN2CC[N@@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)c1 ZINC001139878980 1026695851 /nfs/dbraw/zinc/69/58/51/1026695851.db2.gz DBKJOXFGZLJFCX-LJQANCHMSA-N 1 2 377.385 3.946 20 30 GHEDLO CCOC[C@@H]1CN(c2[nH+]ccc3ccc(C#N)cc32)Cc2nn(CC3CC3)cc21 ZINC001165526061 1026753343 /nfs/dbraw/zinc/75/33/43/1026753343.db2.gz FUIYSEUMCNYKLC-IBGZPJMESA-N 1 2 387.487 3.853 20 30 GHEDLO CCn1ncc2c1C[N@H+](Cc1c[nH]c3ccc(C#N)cc13)C[C@@H]2COCC1CC1 ZINC001140113254 1026894751 /nfs/dbraw/zinc/89/47/51/1026894751.db2.gz UKPGBJOGPLNYDJ-LJQANCHMSA-N 1 2 389.503 3.782 20 30 GHEDLO CCn1ncc2c1C[N@@H+](Cc1c[nH]c3ccc(C#N)cc13)C[C@@H]2COCC1CC1 ZINC001140113254 1026894755 /nfs/dbraw/zinc/89/47/55/1026894755.db2.gz UKPGBJOGPLNYDJ-LJQANCHMSA-N 1 2 389.503 3.782 20 30 GHEDLO Cc1ccc2c(n1)N(Cc1cccnc1)CCN(c1[nH+]ccc3[nH]cc(C#N)c31)C2 ZINC001166241739 1026951003 /nfs/dbraw/zinc/95/10/03/1026951003.db2.gz MFJJLXFZSGZMLB-UHFFFAOYSA-N 1 2 395.470 3.560 20 30 GHEDLO N#Cc1ccccc1Nc1ccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC001210739283 1027632005 /nfs/dbraw/zinc/63/20/05/1027632005.db2.gz PJVVEIZUPHAPHU-UHFFFAOYSA-N 1 2 383.455 3.659 20 30 GHEDLO COc1ccc(C(=O)C2CC[NH+](Cc3ccc(C#N)c(SC)n3)CC2)cc1 ZINC001141941711 1027717602 /nfs/dbraw/zinc/71/76/02/1027717602.db2.gz USXVRAQMORMHTF-UHFFFAOYSA-N 1 2 381.501 3.779 20 30 GHEDLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(C#N)c(SC)n2)[C@H](c2ccccc2)C1 ZINC001141946054 1027725486 /nfs/dbraw/zinc/72/54/86/1027725486.db2.gz XULPODKUZCCYDZ-APWZRJJASA-N 1 2 381.501 3.801 20 30 GHEDLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(SC)n2)[C@H](c2ccccc2)C1 ZINC001141946054 1027725506 /nfs/dbraw/zinc/72/55/06/1027725506.db2.gz XULPODKUZCCYDZ-APWZRJJASA-N 1 2 381.501 3.801 20 30 GHEDLO C=CCCc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)cc1 ZINC001210996615 1027743846 /nfs/dbraw/zinc/74/38/46/1027743846.db2.gz SOUFKHQZQNAHRE-RTWAWAEBSA-N 1 2 388.508 3.668 20 30 GHEDLO C=CCCc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)cc1 ZINC001210996615 1027743862 /nfs/dbraw/zinc/74/38/62/1027743862.db2.gz SOUFKHQZQNAHRE-RTWAWAEBSA-N 1 2 388.508 3.668 20 30 GHEDLO CCCCCC[C@@H](C)NC(=O)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000842209540 1029149429 /nfs/dbraw/zinc/14/94/29/1029149429.db2.gz ASDIHYOEDWCQAH-HXUWFJFHSA-N 1 2 384.568 3.541 20 30 GHEDLO CCCCCC[C@@H](C)NC(=O)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000842209540 1029149437 /nfs/dbraw/zinc/14/94/37/1029149437.db2.gz ASDIHYOEDWCQAH-HXUWFJFHSA-N 1 2 384.568 3.541 20 30 GHEDLO C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143164221 1029876535 /nfs/dbraw/zinc/87/65/35/1029876535.db2.gz BRDLJEYTMHQXNQ-KGLIPLIRSA-N 1 2 379.451 3.962 20 30 GHEDLO C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143164221 1029876543 /nfs/dbraw/zinc/87/65/43/1029876543.db2.gz BRDLJEYTMHQXNQ-KGLIPLIRSA-N 1 2 379.451 3.962 20 30 GHEDLO CCCCCCCCC/C=C/C(=O)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000843475273 1030031717 /nfs/dbraw/zinc/03/17/17/1030031717.db2.gz JIJINGWBTUAPRN-ZHACJKMWSA-N 1 2 387.572 3.784 20 30 GHEDLO N#Cc1ccc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(Br)c1 ZINC001225764491 1031588416 /nfs/dbraw/zinc/58/84/16/1031588416.db2.gz HIIFDOSTAJKNFL-KRWDZBQOSA-N 1 2 387.277 3.601 20 30 GHEDLO N#Cc1ccc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(Br)c1 ZINC001225764491 1031588434 /nfs/dbraw/zinc/58/84/34/1031588434.db2.gz HIIFDOSTAJKNFL-KRWDZBQOSA-N 1 2 387.277 3.601 20 30 GHEDLO C#Cc1ccc(NC(=O)NC[C@H]2C[N@H+](Cc3ccc(C)cc3)CCO2)c(Cl)c1 ZINC001220234459 1031850762 /nfs/dbraw/zinc/85/07/62/1031850762.db2.gz CQNXFISXUNNMQZ-IBGZPJMESA-N 1 2 397.906 3.652 20 30 GHEDLO C#Cc1ccc(NC(=O)NC[C@H]2C[N@@H+](Cc3ccc(C)cc3)CCO2)c(Cl)c1 ZINC001220234459 1031850777 /nfs/dbraw/zinc/85/07/77/1031850777.db2.gz CQNXFISXUNNMQZ-IBGZPJMESA-N 1 2 397.906 3.652 20 30 GHEDLO COC(=O)c1cc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)n2c1CCCC2 ZINC001461884265 1069834113 /nfs/dbraw/zinc/83/41/13/1069834113.db2.gz RXKRYDZVPFLUMO-SFTDATJTSA-N 1 2 377.488 3.883 20 30 GHEDLO COC(=O)c1cc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)n2c1CCCC2 ZINC001461884265 1069834141 /nfs/dbraw/zinc/83/41/41/1069834141.db2.gz RXKRYDZVPFLUMO-SFTDATJTSA-N 1 2 377.488 3.883 20 30 GHEDLO C=C(Cl)C[C@@H]([NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1)C(=O)OCC ZINC001207128934 1034112472 /nfs/dbraw/zinc/11/24/72/1034112472.db2.gz IDXOZXMIQZBVID-UYSNPLJNSA-N 1 2 388.936 3.734 20 30 GHEDLO C=CCN(CC[N@@H+]1CCc2nn(-c3ccccc3)cc2C1)C(=O)OC(C)(C)C ZINC001207204003 1034173278 /nfs/dbraw/zinc/17/32/78/1034173278.db2.gz YJKUPQFIPMTXAE-UHFFFAOYSA-N 1 2 382.508 3.654 20 30 GHEDLO C=CCN(CC[N@H+]1CCc2nn(-c3ccccc3)cc2C1)C(=O)OC(C)(C)C ZINC001207204003 1034173289 /nfs/dbraw/zinc/17/32/89/1034173289.db2.gz YJKUPQFIPMTXAE-UHFFFAOYSA-N 1 2 382.508 3.654 20 30 GHEDLO N#CC12CCC(Nc3cc(N4CCN(c5ccccc5)CC4)nc[nH+]3)(CC1)CC2 ZINC001158788466 1034270828 /nfs/dbraw/zinc/27/08/28/1034270828.db2.gz HXHAPTPMOGDUEG-UHFFFAOYSA-N 1 2 388.519 3.832 20 30 GHEDLO N#CC12CCC(Nc3cc(N4CCN(c5ccccc5)CC4)[nH+]cn3)(CC1)CC2 ZINC001158788466 1034270847 /nfs/dbraw/zinc/27/08/47/1034270847.db2.gz HXHAPTPMOGDUEG-UHFFFAOYSA-N 1 2 388.519 3.832 20 30 GHEDLO Cc1cccc2cc(C[NH+]3CCN(c4cc(C#N)ccn4)CC3)c(Cl)nc12 ZINC001231652235 1034809576 /nfs/dbraw/zinc/80/95/76/1034809576.db2.gz JZSRIDAOMYVFGS-UHFFFAOYSA-N 1 2 377.879 3.786 20 30 GHEDLO COC(=O)c1ccc(C[NH+](Cc2ccc(C#N)cc2)Cc2ccc(C#N)cc2)[nH]1 ZINC001232078510 1035080605 /nfs/dbraw/zinc/08/06/05/1035080605.db2.gz AQWNQKINGPFGQF-UHFFFAOYSA-N 1 2 384.439 3.747 20 30 GHEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1c(Cl)ccc(Cl)c1Cl)CC2 ZINC001276620411 1035195532 /nfs/dbraw/zinc/19/55/32/1035195532.db2.gz HWUTXNKTSXUELL-CYBMUJFWSA-N 1 2 385.722 3.998 20 30 GHEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(Br)cc1OC ZINC001276629959 1035232077 /nfs/dbraw/zinc/23/20/77/1035232077.db2.gz HREICPSCNFIESK-LJQANCHMSA-N 1 2 393.325 3.601 20 30 GHEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(Br)cc1OC ZINC001276629959 1035232079 /nfs/dbraw/zinc/23/20/79/1035232079.db2.gz HREICPSCNFIESK-LJQANCHMSA-N 1 2 393.325 3.601 20 30 GHEDLO C=CCOC[C@@H]1C[N@@H+](Cc2c[nH]c3c2cccc3C)Cc2nnn(CC3CC3)c21 ZINC001209483610 1035288464 /nfs/dbraw/zinc/28/84/64/1035288464.db2.gz OEODZMAQLIMDHK-IBGZPJMESA-N 1 2 391.519 3.780 20 30 GHEDLO C=CCOC[C@@H]1C[N@H+](Cc2c[nH]c3c2cccc3C)Cc2nnn(CC3CC3)c21 ZINC001209483610 1035288467 /nfs/dbraw/zinc/28/84/67/1035288467.db2.gz OEODZMAQLIMDHK-IBGZPJMESA-N 1 2 391.519 3.780 20 30 GHEDLO N#Cc1ccccc1Oc1nc(-c2cccc(C[NH+]3CCOCC3)c2)ncc1F ZINC001241816005 1035709898 /nfs/dbraw/zinc/70/98/98/1035709898.db2.gz NJITVXSQCNFZHI-UHFFFAOYSA-N 1 2 390.418 3.779 20 30 GHEDLO O=C1C=C2C[N@H+](Cc3ccc4nc(Br)sc4c3)CC[C@H]2S1 ZINC001248585580 1035973193 /nfs/dbraw/zinc/97/31/93/1035973193.db2.gz YIXAXYCHMUOTOF-GFCCVEGCSA-N 1 2 381.320 3.833 20 30 GHEDLO O=C1C=C2C[N@@H+](Cc3ccc4nc(Br)sc4c3)CC[C@H]2S1 ZINC001248585580 1035973194 /nfs/dbraw/zinc/97/31/94/1035973194.db2.gz YIXAXYCHMUOTOF-GFCCVEGCSA-N 1 2 381.320 3.833 20 30 GHEDLO N#C[C@@H]1CC=C(c2ncccc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001243789625 1036281631 /nfs/dbraw/zinc/28/16/31/1036281631.db2.gz IUVPDZCQFVCCFN-LJQANCHMSA-N 1 2 386.499 3.747 20 30 GHEDLO CC(C)(C)c1ccc(C#N)c(-c2ccc(OCC[NH+]3CCOCC3)cc2F)n1 ZINC001244137861 1036394544 /nfs/dbraw/zinc/39/45/44/1036394544.db2.gz XZAQEHNDOUIOOY-UHFFFAOYSA-N 1 2 383.467 3.768 20 30 GHEDLO COc1cc(C[NH+]2CCC(C#N)(c3ccccc3)CC2)c(Br)cn1 ZINC001232743694 1038529527 /nfs/dbraw/zinc/52/95/27/1038529527.db2.gz BZDAUIMHIVIFJN-UHFFFAOYSA-N 1 2 386.293 3.910 20 30 GHEDLO C=CCC[C@@H](O)C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1F ZINC001252599910 1039042922 /nfs/dbraw/zinc/04/29/22/1039042922.db2.gz NYGCJYLXGXCHBN-VQIMIIECSA-N 1 2 378.488 3.747 20 30 GHEDLO C=CCC[C@@H](O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1F ZINC001252599910 1039042940 /nfs/dbraw/zinc/04/29/40/1039042940.db2.gz NYGCJYLXGXCHBN-VQIMIIECSA-N 1 2 378.488 3.747 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c(O)c1 ZINC001233387817 1039212001 /nfs/dbraw/zinc/21/20/01/1039212001.db2.gz ZQXDXRGAFJFEPV-UHFFFAOYSA-N 1 2 375.394 3.600 20 30 GHEDLO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3c(F)ccc(O)c3F)C2)CC1 ZINC001233393373 1039224875 /nfs/dbraw/zinc/22/48/75/1039224875.db2.gz RBJWVRICKJDXFT-UHFFFAOYSA-N 1 2 380.435 3.671 20 30 GHEDLO C=CCOC(=O)N1CCC2(CCC[N@H+](Cc3c(F)ccc(O)c3F)C2)CC1 ZINC001233393373 1039224888 /nfs/dbraw/zinc/22/48/88/1039224888.db2.gz RBJWVRICKJDXFT-UHFFFAOYSA-N 1 2 380.435 3.671 20 30 GHEDLO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cn4cccc(Cl)c4n3)C2)C1 ZINC001233420171 1039282713 /nfs/dbraw/zinc/28/27/13/1039282713.db2.gz BVNZCXYLQJRLQS-HXUWFJFHSA-N 1 2 388.899 3.598 20 30 GHEDLO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](Cc3cn4cccc(Cl)c4n3)C2)C1 ZINC001233420171 1039282722 /nfs/dbraw/zinc/28/27/22/1039282722.db2.gz BVNZCXYLQJRLQS-HXUWFJFHSA-N 1 2 388.899 3.598 20 30 GHEDLO CCCC(=O)c1cc(O)c(O)cc1O[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001233496706 1039389084 /nfs/dbraw/zinc/38/90/84/1039389084.db2.gz GUYMZECIAHFUEH-KRWDZBQOSA-N 1 2 380.444 3.606 20 30 GHEDLO CCCC(=O)c1cc(O)c(O)cc1O[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001233496706 1039389113 /nfs/dbraw/zinc/38/91/13/1039389113.db2.gz GUYMZECIAHFUEH-KRWDZBQOSA-N 1 2 380.444 3.606 20 30 GHEDLO CCCCCCCCCCCC[C@H](O)CN[C@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001253565316 1039705464 /nfs/dbraw/zinc/70/54/64/1039705464.db2.gz MFHWWMVZBJAOFI-LEWJYISDSA-N 1 2 395.588 3.766 20 30 GHEDLO C=CCOC(=O)[C@@H]([NH2+]C[C@H](O)C(c1ccccc1)c1ccccc1)[C@@H](C)CC ZINC001253932336 1039910535 /nfs/dbraw/zinc/91/05/35/1039910535.db2.gz NUDAZMCTHJWHIY-HARLFGEKSA-N 1 2 381.516 3.913 20 30 GHEDLO N#CC1(c2ccc(F)cc2)CCC([N@@H+]2CCn3nc(C(F)(F)F)nc3C2)CC1 ZINC001254352944 1040184815 /nfs/dbraw/zinc/18/48/15/1040184815.db2.gz KCVXGVPFVQGNMG-UHFFFAOYSA-N 1 2 393.388 3.656 20 30 GHEDLO N#CC1(c2ccc(F)cc2)CCC([N@H+]2CCn3nc(C(F)(F)F)nc3C2)CC1 ZINC001254352944 1040184821 /nfs/dbraw/zinc/18/48/21/1040184821.db2.gz KCVXGVPFVQGNMG-UHFFFAOYSA-N 1 2 393.388 3.656 20 30 GHEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001235681740 1041148798 /nfs/dbraw/zinc/14/87/98/1041148798.db2.gz JXOLHFWJLSTWKR-IBGZPJMESA-N 1 2 384.524 3.603 20 30 GHEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1Cc1ccc(C(C)(C)C)cc1O ZINC001235681740 1041148811 /nfs/dbraw/zinc/14/88/11/1041148811.db2.gz JXOLHFWJLSTWKR-IBGZPJMESA-N 1 2 384.524 3.603 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)c(Br)c2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001236866087 1041934304 /nfs/dbraw/zinc/93/43/04/1041934304.db2.gz KHNYUZUITIKEDW-WBMJQRKESA-N 1 2 394.313 3.666 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(Br)c2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001236866087 1041934306 /nfs/dbraw/zinc/93/43/06/1041934306.db2.gz KHNYUZUITIKEDW-WBMJQRKESA-N 1 2 394.313 3.666 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+]2Cc2cc(C#N)c(F)cc2F)CC1 ZINC001237525564 1042250798 /nfs/dbraw/zinc/25/07/98/1042250798.db2.gz SGYXPFDGIILNJF-UHFFFAOYSA-N 1 2 377.435 3.812 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC2(CC[N@H+]2Cc2cc(C#N)c(F)cc2F)CC1 ZINC001237525564 1042250802 /nfs/dbraw/zinc/25/08/02/1042250802.db2.gz SGYXPFDGIILNJF-UHFFFAOYSA-N 1 2 377.435 3.812 20 30 GHEDLO COc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)c(Br)c(OC)c1OC ZINC001237963084 1042438874 /nfs/dbraw/zinc/43/88/74/1042438874.db2.gz QSPRBYZDNSFTDR-LBPRGKRZSA-N 1 2 383.286 3.601 20 30 GHEDLO COc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)c(Br)c(OC)c1OC ZINC001237963084 1042438877 /nfs/dbraw/zinc/43/88/77/1042438877.db2.gz QSPRBYZDNSFTDR-LBPRGKRZSA-N 1 2 383.286 3.601 20 30 GHEDLO N#Cc1cc(C[N@H+]2Cc3cncn3C[C@H](COc3ccccn3)C2)ccc1Cl ZINC001238194671 1042515869 /nfs/dbraw/zinc/51/58/69/1042515869.db2.gz QTNQKWGGRNQZFL-QGZVFWFLSA-N 1 2 393.878 3.514 20 30 GHEDLO N#Cc1cc(C[N@@H+]2Cc3cncn3C[C@H](COc3ccccn3)C2)ccc1Cl ZINC001238194671 1042515873 /nfs/dbraw/zinc/51/58/73/1042515873.db2.gz QTNQKWGGRNQZFL-QGZVFWFLSA-N 1 2 393.878 3.514 20 30 GHEDLO O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@H]1CC[NH2+]CC1(F)F ZINC001239225914 1042789974 /nfs/dbraw/zinc/78/99/74/1042789974.db2.gz PTHLGVJSXRLOFN-JTQLQIEISA-N 1 2 391.262 3.843 20 30 GHEDLO N#Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)cc1 ZINC001258109205 1044398768 /nfs/dbraw/zinc/39/87/68/1044398768.db2.gz FRPDPOJZYRBIMG-UHFFFAOYSA-N 1 2 389.480 3.875 20 30 GHEDLO N#Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)cc1 ZINC001258109205 1044398780 /nfs/dbraw/zinc/39/87/80/1044398780.db2.gz FRPDPOJZYRBIMG-UHFFFAOYSA-N 1 2 389.480 3.875 20 30 GHEDLO CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001298231898 1045742708 /nfs/dbraw/zinc/74/27/08/1045742708.db2.gz MEMUTXKSQHSDFM-AEFFLSMTSA-N 1 2 392.544 3.568 20 30 GHEDLO C=C(C)Cn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@@]2(CCOC2)C1 ZINC001263301625 1046699157 /nfs/dbraw/zinc/69/91/57/1046699157.db2.gz UTDZNMVHYOFFBC-AUSIDOKSSA-N 1 2 395.551 3.664 20 30 GHEDLO C=C(C)Cn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@@]2(CCOC2)C1 ZINC001263301625 1046699167 /nfs/dbraw/zinc/69/91/67/1046699167.db2.gz UTDZNMVHYOFFBC-AUSIDOKSSA-N 1 2 395.551 3.664 20 30 GHEDLO C=C(C)Cn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@]2(CCOC2)C1 ZINC001263301628 1046699208 /nfs/dbraw/zinc/69/92/08/1046699208.db2.gz UTDZNMVHYOFFBC-XXBNENTESA-N 1 2 395.551 3.664 20 30 GHEDLO C=C(C)Cn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@]2(CCOC2)C1 ZINC001263301628 1046699209 /nfs/dbraw/zinc/69/92/09/1046699209.db2.gz UTDZNMVHYOFFBC-XXBNENTESA-N 1 2 395.551 3.664 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC[C@@H]([C@H]2CCCO2)C1 ZINC001263304985 1046702152 /nfs/dbraw/zinc/70/21/52/1046702152.db2.gz OEYVPIGMQLGQDK-VAMGGRTRSA-N 1 2 398.555 3.692 20 30 GHEDLO CC[C@@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001305377715 1048001610 /nfs/dbraw/zinc/00/16/10/1048001610.db2.gz SJDZHUDVRHQVEU-DLBZAZTESA-N 1 2 383.544 3.677 20 30 GHEDLO CCCCCCCNC(=S)N1C[C@@H]2C[N@@H+](CCCC(F)(F)F)C[C@H](C1)O2 ZINC001279957152 1048011542 /nfs/dbraw/zinc/01/15/42/1048011542.db2.gz LXJNBHYQEMPXAN-IYBDPMFKSA-N 1 2 395.535 3.559 20 30 GHEDLO CCCCCCCNC(=S)N1C[C@@H]2C[N@H+](CCCC(F)(F)F)C[C@H](C1)O2 ZINC001279957152 1048011553 /nfs/dbraw/zinc/01/15/53/1048011553.db2.gz LXJNBHYQEMPXAN-IYBDPMFKSA-N 1 2 395.535 3.559 20 30 GHEDLO C#C[C@H](C)N(C)c1nnc(-c2ccccc2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001286290509 1048258099 /nfs/dbraw/zinc/25/80/99/1048258099.db2.gz QSEKJMWUWPHTLY-SFHVURJKSA-N 1 2 388.519 3.693 20 30 GHEDLO C=CCN(c1nnc(-c2cccc(C)n2)n1CCCNc1cccc[nH+]1)C1CC1 ZINC001286736226 1048494344 /nfs/dbraw/zinc/49/43/44/1048494344.db2.gz ALGDJIZIBZZPBU-UHFFFAOYSA-N 1 2 389.507 3.701 20 30 GHEDLO C#C[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C1 ZINC001307878415 1049660427 /nfs/dbraw/zinc/66/04/27/1049660427.db2.gz SVTCHKXYDBSHET-OLZOCXBDSA-N 1 2 375.444 3.761 20 30 GHEDLO C#C[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C1 ZINC001307878415 1049660435 /nfs/dbraw/zinc/66/04/35/1049660435.db2.gz SVTCHKXYDBSHET-OLZOCXBDSA-N 1 2 375.444 3.761 20 30 GHEDLO N#C[C@H]1C[C@H]1C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC001290265107 1049784483 /nfs/dbraw/zinc/78/44/83/1049784483.db2.gz KLHASOBNNJFRFK-RHSMWYFYSA-N 1 2 385.920 3.872 20 30 GHEDLO C=CC[C@H]1CC[N@H+]1[C@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 ZINC001308141059 1049879981 /nfs/dbraw/zinc/87/99/81/1049879981.db2.gz OYISHLMQWHGBPV-KGLIPLIRSA-N 1 2 376.522 3.781 20 30 GHEDLO C=CC[C@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 ZINC001308141059 1049879986 /nfs/dbraw/zinc/87/99/86/1049879986.db2.gz OYISHLMQWHGBPV-KGLIPLIRSA-N 1 2 376.522 3.781 20 30 GHEDLO CC(C)Oc1ccc(NCc2ccc(OCC[NH+]3CCOCC3)cc2)cc1C#N ZINC001308430400 1049974324 /nfs/dbraw/zinc/97/43/24/1049974324.db2.gz NCYUNCBBVIOGHY-UHFFFAOYSA-N 1 2 395.503 3.669 20 30 GHEDLO COc1ccc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1C(C)(C)C ZINC001308673221 1050054840 /nfs/dbraw/zinc/05/48/40/1050054840.db2.gz WOJOBTVTDMKDMW-FUHWJXTLSA-N 1 2 387.524 3.841 20 30 GHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCc3cccc(OCC#N)c3)n2)C1 ZINC001328225783 1050448253 /nfs/dbraw/zinc/44/82/53/1050448253.db2.gz HKYLYRXFBJBQKN-HNNXBMFYSA-N 1 2 399.520 3.599 20 30 GHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCc3cccc(OCC#N)c3)n2)C1 ZINC001328225783 1050448267 /nfs/dbraw/zinc/44/82/67/1050448267.db2.gz HKYLYRXFBJBQKN-HNNXBMFYSA-N 1 2 399.520 3.599 20 30 GHEDLO CCCCN(c1cc[nH+]cc1)S(=O)(=O)c1cc(Br)ccc1C#N ZINC001309762669 1050961080 /nfs/dbraw/zinc/96/10/80/1050961080.db2.gz KPIRDNIDHUXFHU-UHFFFAOYSA-N 1 2 394.294 3.711 20 30 GHEDLO Cc1ccc(CNC(=O)N2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)cc1C#N ZINC001342410128 1053154466 /nfs/dbraw/zinc/15/44/66/1053154466.db2.gz OGSRIUIIPBCKDA-GOSISDBHSA-N 1 2 379.508 3.907 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC(COC)CC1 ZINC001342698881 1053306703 /nfs/dbraw/zinc/30/67/03/1053306703.db2.gz HNYALGLDFFENKJ-LJQANCHMSA-N 1 2 386.544 3.549 20 30 GHEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@]1(C)c1ccccc1 ZINC001343419271 1053760905 /nfs/dbraw/zinc/76/09/05/1053760905.db2.gz KJJHIIXTOKLVGE-JOCHJYFZSA-N 1 2 376.508 3.694 20 30 GHEDLO N#CCn1c(=O)c2ccccc2nc1C[N@@H+]1C[C@H]2CCCC[C@]21c1ccccc1 ZINC001319375179 1055211767 /nfs/dbraw/zinc/21/17/67/1055211767.db2.gz QVVQGMFLJGOSTE-DVECYGJZSA-N 1 2 384.483 3.821 20 30 GHEDLO N#CCn1c(=O)c2ccccc2nc1C[N@H+]1C[C@H]2CCCC[C@]21c1ccccc1 ZINC001319375179 1055211780 /nfs/dbraw/zinc/21/17/80/1055211780.db2.gz QVVQGMFLJGOSTE-DVECYGJZSA-N 1 2 384.483 3.821 20 30 GHEDLO C=CCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C1 ZINC001320899743 1056005953 /nfs/dbraw/zinc/00/59/53/1056005953.db2.gz WIEPQFPIVYPABH-GXTWGEPZSA-N 1 2 393.459 3.692 20 30 GHEDLO C=CCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C1 ZINC001320899743 1056005964 /nfs/dbraw/zinc/00/59/64/1056005964.db2.gz WIEPQFPIVYPABH-GXTWGEPZSA-N 1 2 393.459 3.692 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(CC(C)(C)C)n2CCc2ccc(C=C)cc2)CC1 ZINC001300699515 1056910177 /nfs/dbraw/zinc/91/01/77/1056910177.db2.gz DSYWYSIPLCPMRZ-UHFFFAOYSA-N 1 2 391.563 3.508 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1Cc2ccc(O)cc2C1 ZINC001356075982 1057379606 /nfs/dbraw/zinc/37/96/06/1057379606.db2.gz SXBCIUOYMKWTJB-KRWDZBQOSA-N 1 2 389.503 3.883 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1Cc2ccc(O)cc2C1 ZINC001356075982 1057379611 /nfs/dbraw/zinc/37/96/11/1057379611.db2.gz SXBCIUOYMKWTJB-KRWDZBQOSA-N 1 2 389.503 3.883 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N(C)Cc1ccc(C#N)cc1 ZINC001356094834 1057387680 /nfs/dbraw/zinc/38/76/80/1057387680.db2.gz NSNCISKFZJRPGX-HXUWFJFHSA-N 1 2 389.507 3.804 20 30 GHEDLO C[C@H](CSc1ccccc1)N(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001338297704 1058501340 /nfs/dbraw/zinc/50/13/40/1058501340.db2.gz KSKAPQWEBGPQPN-QGZVFWFLSA-N 1 2 398.580 3.525 20 30 GHEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1Cc2ccccc2[C@H](C)C1 ZINC001338690535 1058732838 /nfs/dbraw/zinc/73/28/38/1058732838.db2.gz LSSRFPANSGLNLF-QFUCXCTJSA-N 1 2 393.535 3.514 20 30 GHEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1Cc2ccccc2[C@H](C)C1 ZINC001338690535 1058732855 /nfs/dbraw/zinc/73/28/55/1058732855.db2.gz LSSRFPANSGLNLF-QFUCXCTJSA-N 1 2 393.535 3.514 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 ZINC001338749938 1058763396 /nfs/dbraw/zinc/76/33/96/1058763396.db2.gz VTRBZMXXNGSOFT-OAQYLSRUSA-N 1 2 388.519 3.786 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 ZINC001338749938 1058763413 /nfs/dbraw/zinc/76/34/13/1058763413.db2.gz VTRBZMXXNGSOFT-OAQYLSRUSA-N 1 2 388.519 3.786 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N(C)CC1=CCSC1 ZINC001338994450 1058917062 /nfs/dbraw/zinc/91/70/62/1058917062.db2.gz CNAZZXZIHQNPBO-KRWDZBQOSA-N 1 2 383.565 3.767 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N(C)CC1=CCSC1 ZINC001338994450 1058917067 /nfs/dbraw/zinc/91/70/67/1058917067.db2.gz CNAZZXZIHQNPBO-KRWDZBQOSA-N 1 2 383.565 3.767 20 30 GHEDLO C=CC[C@@H]1N(C(=O)C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)CCCC1(C)C ZINC001448665686 1060238364 /nfs/dbraw/zinc/23/83/64/1060238364.db2.gz BLWMCGQZPWVCPO-NRFANRHFSA-N 1 2 386.536 3.655 20 30 GHEDLO C=CC[C@@H]1N(C(=O)C[N@H+]2CCc3cc(OC)c(OC)cc3C2)CCCC1(C)C ZINC001448665686 1060238387 /nfs/dbraw/zinc/23/83/87/1060238387.db2.gz BLWMCGQZPWVCPO-NRFANRHFSA-N 1 2 386.536 3.655 20 30 GHEDLO CC1=CCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2Cc2ccccc2)CC1 ZINC001342161720 1061096388 /nfs/dbraw/zinc/09/63/88/1061096388.db2.gz ARFRBCHUTPYQMZ-UHFFFAOYSA-N 1 2 390.535 3.576 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC001342225966 1061153969 /nfs/dbraw/zinc/15/39/69/1061153969.db2.gz SJZDQUMVBMXPOW-UFYCRDLUSA-N 1 2 387.572 3.797 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC001342225966 1061153976 /nfs/dbraw/zinc/15/39/76/1061153976.db2.gz SJZDQUMVBMXPOW-UFYCRDLUSA-N 1 2 387.572 3.797 20 30 GHEDLO Cc1cn2c([nH+]1)[C@@H](Cn1c(CC3CCCC3)nnc1N(C)[C@H](C)CC#N)CCC2 ZINC001492628457 1061829588 /nfs/dbraw/zinc/82/95/88/1061829588.db2.gz GFDXKQYFVUJPJW-IEBWSBKVSA-N 1 2 395.555 3.832 20 30 GHEDLO C=CCN(CCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001434952066 1062148580 /nfs/dbraw/zinc/14/85/80/1062148580.db2.gz FNQUXTRSDIXPKT-UHFFFAOYSA-N 1 2 376.416 3.651 20 30 GHEDLO N#CCC[NH+]1CCC(c2nnc(N3CCCC4(CC4)CC3)n2CC2CC2)CC1 ZINC001347965906 1062810625 /nfs/dbraw/zinc/81/06/25/1062810625.db2.gz MEIRSAUQZFQJGA-UHFFFAOYSA-N 1 2 382.556 3.552 20 30 GHEDLO N#Cc1cncnc1NC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCc2sccc2C1 ZINC001458100249 1063564778 /nfs/dbraw/zinc/56/47/78/1063564778.db2.gz RUHQMPYZIODZAQ-SFHVURJKSA-N 1 2 395.919 3.697 20 30 GHEDLO N#Cc1cncnc1NC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCc2sccc2C1 ZINC001458100249 1063564794 /nfs/dbraw/zinc/56/47/94/1063564794.db2.gz RUHQMPYZIODZAQ-SFHVURJKSA-N 1 2 395.919 3.697 20 30 GHEDLO C#Cc1cccc(CNC(=O)[C@@H](c2cccc(Br)c2)[NH+]2CCCC2)c1 ZINC001436733196 1063630474 /nfs/dbraw/zinc/63/04/74/1063630474.db2.gz LJFZONRIWBEVAJ-HXUWFJFHSA-N 1 2 397.316 3.884 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N(C)CCC1CCOCC1 ZINC001351982128 1064746469 /nfs/dbraw/zinc/74/64/69/1064746469.db2.gz YAXSGBOZJQCKLH-LJQANCHMSA-N 1 2 386.544 3.549 20 30 GHEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001464362134 1064971223 /nfs/dbraw/zinc/97/12/23/1064971223.db2.gz VMPLJTVJNHECRB-UHFFFAOYSA-N 1 2 392.415 3.618 20 30 GHEDLO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC001465896235 1065914298 /nfs/dbraw/zinc/91/42/98/1065914298.db2.gz AXQUSGSHBLOEQN-OAHLLOKOSA-N 1 2 378.860 3.846 20 30 GHEDLO C=C(Cl)Cn1c(CC(C)(C)C)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001359152424 1067712317 /nfs/dbraw/zinc/71/23/17/1067712317.db2.gz WPLLAPVVWJWVSS-UHFFFAOYSA-N 1 2 388.947 3.643 20 30 GHEDLO C=CCN(CC=C)c1nnc(C2CCC2)n1Cc1ccc(N2CCCC2)[nH+]c1 ZINC001359271074 1067937947 /nfs/dbraw/zinc/93/79/47/1067937947.db2.gz KLKWGVYPGLCWFO-UHFFFAOYSA-N 1 2 378.524 3.768 20 30 GHEDLO Cc1ccc2[nH+]c(CSCC(=O)Nc3n[nH]c4cc(C#N)c(C)cc43)cn2c1 ZINC001469796319 1068394047 /nfs/dbraw/zinc/39/40/47/1068394047.db2.gz VSKMLDAMSGZVGY-UHFFFAOYSA-N 1 2 390.472 3.571 20 30 GHEDLO C[N@@H+](Cc1c(F)ccc(Br)c1F)C[C@@H](O)c1cccc(C#N)c1 ZINC001460355469 1068938637 /nfs/dbraw/zinc/93/86/37/1068938637.db2.gz HRAKRWHNZAWIGQ-MRXNPFEDSA-N 1 2 381.220 3.764 20 30 GHEDLO C[N@H+](Cc1c(F)ccc(Br)c1F)C[C@@H](O)c1cccc(C#N)c1 ZINC001460355469 1068938643 /nfs/dbraw/zinc/93/86/43/1068938643.db2.gz HRAKRWHNZAWIGQ-MRXNPFEDSA-N 1 2 381.220 3.764 20 30 GHEDLO CCCCCc1nnc(NC(=O)C[NH+]2CCC(c3ccc(C#N)cc3)CC2)s1 ZINC001473839367 1074168112 /nfs/dbraw/zinc/16/81/12/1074168112.db2.gz ZDKBUOPQIALFOL-UHFFFAOYSA-N 1 2 397.548 3.961 20 30 GHEDLO CC[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001495455967 1079409771 /nfs/dbraw/zinc/40/97/71/1079409771.db2.gz VJHCUSNETLKUEL-IERDGZPVSA-N 1 2 399.518 3.523 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](C[C@H](O)c3ccc(Cl)c(Cl)c3)CC2)c(F)c1 ZINC001167287662 837438067 /nfs/dbraw/zinc/43/80/67/837438067.db2.gz SLPIKRWCHLPFGT-IBGZPJMESA-N 1 2 394.277 3.860 20 30 GHEDLO Cc1sc(NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(C#N)c1C ZINC000177044962 837729668 /nfs/dbraw/zinc/72/96/68/837729668.db2.gz HLJGYQZZLLYYLK-UHFFFAOYSA-N 1 2 386.477 3.994 20 30 GHEDLO Cc1sc(NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(C#N)c1C ZINC000177044962 837729676 /nfs/dbraw/zinc/72/96/76/837729676.db2.gz HLJGYQZZLLYYLK-UHFFFAOYSA-N 1 2 386.477 3.994 20 30 GHEDLO C=CCCN(OCc1ccccc1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000186861742 834755439 /nfs/dbraw/zinc/75/54/39/834755439.db2.gz MNJIGKAVGTZZSZ-UHFFFAOYSA-N 1 2 380.492 3.901 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)NCc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179113516 834898183 /nfs/dbraw/zinc/89/81/83/834898183.db2.gz WLNOEVFIXLAOJH-OALUTQOASA-N 1 2 386.858 3.595 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)NCc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179113516 834898197 /nfs/dbraw/zinc/89/81/97/834898197.db2.gz WLNOEVFIXLAOJH-OALUTQOASA-N 1 2 386.858 3.595 20 30 GHEDLO C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1N1CCCC1 ZINC000610216757 835192816 /nfs/dbraw/zinc/19/28/16/835192816.db2.gz PPQVVESNMKNGML-UHFFFAOYSA-N 1 2 382.895 3.882 20 30 GHEDLO C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1N1CCCC1 ZINC000610216757 835192822 /nfs/dbraw/zinc/19/28/22/835192822.db2.gz PPQVVESNMKNGML-UHFFFAOYSA-N 1 2 382.895 3.882 20 30 GHEDLO C[C@H](OC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)c1ccc(C#N)cc1 ZINC000175757197 835267149 /nfs/dbraw/zinc/26/71/49/835267149.db2.gz KLNCTCWTMQCMRY-INIZCTEOSA-N 1 2 388.427 3.702 20 30 GHEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Br)c(C)c1 ZINC000430237934 835324439 /nfs/dbraw/zinc/32/44/39/835324439.db2.gz KILXTWJBDNFIGR-RDTXWAMCSA-N 1 2 392.341 3.903 20 30 GHEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1c1ccc(Br)c(C)c1 ZINC000430237934 835324443 /nfs/dbraw/zinc/32/44/43/835324443.db2.gz KILXTWJBDNFIGR-RDTXWAMCSA-N 1 2 392.341 3.903 20 30 GHEDLO CC(C)Oc1ccc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1C#N ZINC000157715223 835452620 /nfs/dbraw/zinc/45/26/20/835452620.db2.gz VPVCKXIPKDWEFG-UHFFFAOYSA-N 1 2 389.459 3.912 20 30 GHEDLO N#C[C@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)c1ccccc1Cl ZINC000179552260 835662989 /nfs/dbraw/zinc/66/29/89/835662989.db2.gz VEPCWYRYIVQOAQ-OALUTQOASA-N 1 2 385.920 3.811 20 30 GHEDLO COC1(C(F)(F)F)CC[NH+](CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000419332982 844103646 /nfs/dbraw/zinc/10/36/46/844103646.db2.gz RWNFPABLUXNLRH-UHFFFAOYSA-N 1 2 393.409 3.781 20 30 GHEDLO C[C@]1(C#N)CCCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000612366832 836124285 /nfs/dbraw/zinc/12/42/85/836124285.db2.gz XQRSANOKKKFCDO-IEBWSBKVSA-N 1 2 390.325 3.738 20 30 GHEDLO N#Cc1ccccc1-c1ccc(CNC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000179871936 836158310 /nfs/dbraw/zinc/15/83/10/836158310.db2.gz DZFJBTQDIGIZAH-UHFFFAOYSA-N 1 2 385.471 3.968 20 30 GHEDLO CN1CC[NH+](C[C@@H](Nc2nc(C(C)(C)C)ccc2C#N)c2ccccc2)CC1 ZINC000613420554 836342567 /nfs/dbraw/zinc/34/25/67/836342567.db2.gz QXESIDGNURMKEX-HXUWFJFHSA-N 1 2 377.536 3.651 20 30 GHEDLO C[C@@H]1CC[N@H+](Cc2cc(OC(F)(F)F)ccc2F)C[C@@]1(O)C(F)(F)F ZINC001143538455 844156997 /nfs/dbraw/zinc/15/69/97/844156997.db2.gz LTOJCNYSKGDLMI-RNCFNFMXSA-N 1 2 375.284 3.860 20 30 GHEDLO C[C@@H]1CC[N@@H+](Cc2cc(OC(F)(F)F)ccc2F)C[C@@]1(O)C(F)(F)F ZINC001143538455 844157000 /nfs/dbraw/zinc/15/70/00/844157000.db2.gz LTOJCNYSKGDLMI-RNCFNFMXSA-N 1 2 375.284 3.860 20 30 GHEDLO C[C@@H](c1nnc(Sc2cnc(C#N)cn2)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000547789275 836528017 /nfs/dbraw/zinc/52/80/17/836528017.db2.gz NZBVBPVZAVDOSH-HNNXBMFYSA-N 1 2 391.504 3.627 20 30 GHEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000582688571 836671483 /nfs/dbraw/zinc/67/14/83/836671483.db2.gz FRLCHHNSJPJIQN-UHFFFAOYSA-N 1 2 382.414 3.671 20 30 GHEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000582688571 836671487 /nfs/dbraw/zinc/67/14/87/836671487.db2.gz FRLCHHNSJPJIQN-UHFFFAOYSA-N 1 2 382.414 3.671 20 30 GHEDLO Cc1cccc([C@H](CNc2c(C#N)cnc3c(C)cccc32)[NH+]2CCOCC2)c1 ZINC000610273223 837331352 /nfs/dbraw/zinc/33/13/52/837331352.db2.gz AYPPZEMTCMEUJH-QFIPXVFZSA-N 1 2 386.499 3.631 20 30 GHEDLO Cc1sc(NC(=O)C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)c(C#N)c1C ZINC000177279446 837900846 /nfs/dbraw/zinc/90/08/46/837900846.db2.gz OFFKVRUBPUCWBN-UHFFFAOYSA-N 1 2 393.516 3.931 20 30 GHEDLO Cc1ccc(C#N)cc1C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC001125836664 837984330 /nfs/dbraw/zinc/98/43/30/837984330.db2.gz NQHKYQLEHCWVJZ-UHFFFAOYSA-N 1 2 384.443 3.756 20 30 GHEDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H](C)c3cccc(C#N)c3)c2C1 ZINC000610364292 838691537 /nfs/dbraw/zinc/69/15/37/838691537.db2.gz OCJUCNOVNHJLRB-INIZCTEOSA-N 1 2 384.483 3.975 20 30 GHEDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H](C)c3cccc(C#N)c3)c2C1 ZINC000610364292 838691539 /nfs/dbraw/zinc/69/15/39/838691539.db2.gz OCJUCNOVNHJLRB-INIZCTEOSA-N 1 2 384.483 3.975 20 30 GHEDLO COc1c(Br)cc(C[N@H+](C)C[C@@H](C)C#N)cc1Br ZINC000535787791 844455901 /nfs/dbraw/zinc/45/59/01/844455901.db2.gz KVXVBMAOTAWNHG-VIFPVBQESA-N 1 2 376.092 3.812 20 30 GHEDLO COc1c(Br)cc(C[N@@H+](C)C[C@@H](C)C#N)cc1Br ZINC000535787791 844455910 /nfs/dbraw/zinc/45/59/10/844455910.db2.gz KVXVBMAOTAWNHG-VIFPVBQESA-N 1 2 376.092 3.812 20 30 GHEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000580826372 840285973 /nfs/dbraw/zinc/28/59/73/840285973.db2.gz IMQRJUYZOJDUSX-WCCYLALTSA-N 1 2 381.520 3.559 20 30 GHEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000580826372 840285980 /nfs/dbraw/zinc/28/59/80/840285980.db2.gz IMQRJUYZOJDUSX-WCCYLALTSA-N 1 2 381.520 3.559 20 30 GHEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCc3cc(-c4ccco4)on3)c2)n1 ZINC000194720104 840338914 /nfs/dbraw/zinc/33/89/14/840338914.db2.gz YUEHTXIZTFTQBV-UHFFFAOYSA-N 1 2 391.431 3.633 20 30 GHEDLO COc1c(C)ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000511596537 840348567 /nfs/dbraw/zinc/34/85/67/840348567.db2.gz UTQSOBYJUGNSNN-UHFFFAOYSA-N 1 2 378.476 3.533 20 30 GHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H]1CCN(Cc2ccc(OC)cc2)C1=O ZINC000660541330 840843606 /nfs/dbraw/zinc/84/36/06/840843606.db2.gz WBDINTNXSQEVGE-JOCHJYFZSA-N 1 2 396.535 3.652 20 30 GHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H]1CCN(Cc2ccc(OC)cc2)C1=O ZINC000660541330 840843613 /nfs/dbraw/zinc/84/36/13/840843613.db2.gz WBDINTNXSQEVGE-JOCHJYFZSA-N 1 2 396.535 3.652 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000548164684 841287195 /nfs/dbraw/zinc/28/71/95/841287195.db2.gz KFJRKOJKPHYGRC-OAQYLSRUSA-N 1 2 381.863 3.672 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000548164684 841287203 /nfs/dbraw/zinc/28/72/03/841287203.db2.gz KFJRKOJKPHYGRC-OAQYLSRUSA-N 1 2 381.863 3.672 20 30 GHEDLO C=CCOc1c(Br)cc(C[NH2+]Cc2cc(C)on2)cc1OCC ZINC000066875517 841472614 /nfs/dbraw/zinc/47/26/14/841472614.db2.gz CQUZDULESGFCGN-UHFFFAOYSA-N 1 2 381.270 3.999 20 30 GHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+](C[C@H]2CCOC2)C2CC2)c1=S ZINC000123825891 841854583 /nfs/dbraw/zinc/85/45/83/841854583.db2.gz CUCRCHIURYHSCX-GOSISDBHSA-N 1 2 384.549 3.649 20 30 GHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+](C[C@H]2CCOC2)C2CC2)c1=S ZINC000123825891 841854593 /nfs/dbraw/zinc/85/45/93/841854593.db2.gz CUCRCHIURYHSCX-GOSISDBHSA-N 1 2 384.549 3.649 20 30 GHEDLO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000131256601 861285623 /nfs/dbraw/zinc/28/56/23/861285623.db2.gz LWUXJHXESBRKIB-FQEVSTJZSA-N 1 2 388.446 3.685 20 30 GHEDLO Cc1cn2ccc(I)c(N[C@H]3CC[C@H](C#N)CC3)c2[nH+]1 ZINC001167844195 842482951 /nfs/dbraw/zinc/48/29/51/842482951.db2.gz KWUDEVCPUZKCRX-HAQNSBGRSA-N 1 2 380.233 3.742 20 30 GHEDLO Cn1c[nH+]cc1CCNC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 ZINC000121520158 842534166 /nfs/dbraw/zinc/53/41/66/842534166.db2.gz BYCFSOXGYRTXDK-UHFFFAOYSA-N 1 2 380.835 3.710 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000249310986 842724491 /nfs/dbraw/zinc/72/44/91/842724491.db2.gz IGHBFWUZWFJIPU-LSDHHAIUSA-N 1 2 383.414 3.605 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000249310986 842724500 /nfs/dbraw/zinc/72/45/00/842724500.db2.gz IGHBFWUZWFJIPU-LSDHHAIUSA-N 1 2 383.414 3.605 20 30 GHEDLO Cn1nc(C(F)(F)F)c(C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c1Cl ZINC000931918548 842843679 /nfs/dbraw/zinc/84/36/79/842843679.db2.gz OOGXULGHTXHVOE-SNVBAGLBSA-N 1 2 379.707 3.959 20 30 GHEDLO Cn1nc(C(F)(F)F)c(C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c1Cl ZINC000931918548 842843688 /nfs/dbraw/zinc/84/36/88/842843688.db2.gz OOGXULGHTXHVOE-SNVBAGLBSA-N 1 2 379.707 3.959 20 30 GHEDLO C[NH+](C)Cc1csc(CNC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)n1 ZINC000931628108 842909324 /nfs/dbraw/zinc/90/93/24/842909324.db2.gz LBCGOERGIISJBU-UHFFFAOYSA-N 1 2 387.509 3.575 20 30 GHEDLO N#Cc1ccc(N[C@H]2CCC[N@H+](Cc3csc(-c4ccccn4)n3)C2)nc1 ZINC000896660442 861359606 /nfs/dbraw/zinc/35/96/06/861359606.db2.gz OHIKMFKIFNGGHT-INIZCTEOSA-N 1 2 376.489 3.548 20 30 GHEDLO N#Cc1ccc(N[C@H]2CCC[N@@H+](Cc3csc(-c4ccccn4)n3)C2)nc1 ZINC000896660442 861359625 /nfs/dbraw/zinc/35/96/25/861359625.db2.gz OHIKMFKIFNGGHT-INIZCTEOSA-N 1 2 376.489 3.548 20 30 GHEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@@H]2c2ccccc2Br)c1 ZINC000610676246 843507322 /nfs/dbraw/zinc/50/73/22/843507322.db2.gz LINCUJNGERXUIE-LJQANCHMSA-N 1 2 398.304 3.774 20 30 GHEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2Br)c1 ZINC000610676246 843507331 /nfs/dbraw/zinc/50/73/31/843507331.db2.gz LINCUJNGERXUIE-LJQANCHMSA-N 1 2 398.304 3.774 20 30 GHEDLO C[C@@H](c1cccc(NC(=O)N2CCC[C@H]2C2CCOCC2)c1)[NH+]1CCOCC1 ZINC000329452194 861456676 /nfs/dbraw/zinc/45/66/76/861456676.db2.gz LTYBLRUVIACHKX-UWJYYQICSA-N 1 2 387.524 3.516 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000512818732 843814702 /nfs/dbraw/zinc/81/47/02/843814702.db2.gz XZOROZKYSZVTQC-QWHCGFSZSA-N 1 2 397.491 3.777 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000512818732 843814716 /nfs/dbraw/zinc/81/47/16/843814716.db2.gz XZOROZKYSZVTQC-QWHCGFSZSA-N 1 2 397.491 3.777 20 30 GHEDLO CC(C)(C#N)c1ccc(C[NH+]2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1 ZINC000614166305 844822829 /nfs/dbraw/zinc/82/28/29/844822829.db2.gz ARDRLUVDQICAMH-UHFFFAOYSA-N 1 2 383.442 3.724 20 30 GHEDLO COc1cccc([C@H]([NH2+]Cc2ccnc(C#N)c2)c2cc(F)ccc2OC)c1 ZINC000610956755 844910308 /nfs/dbraw/zinc/91/03/08/844910308.db2.gz AUTTYGNACLGEPS-QFIPXVFZSA-N 1 2 377.419 3.989 20 30 GHEDLO Cc1ccc(C(=O)N2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)cc1 ZINC000181415019 844982805 /nfs/dbraw/zinc/98/28/05/844982805.db2.gz WDUNPTQMBZODKU-UHFFFAOYSA-N 1 2 377.488 3.636 20 30 GHEDLO C=CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411199603 845091000 /nfs/dbraw/zinc/09/10/00/845091000.db2.gz ZYRWBJSTMRZZGX-OAHLLOKOSA-N 1 2 390.512 3.995 20 30 GHEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411199603 845091011 /nfs/dbraw/zinc/09/10/11/845091011.db2.gz ZYRWBJSTMRZZGX-OAHLLOKOSA-N 1 2 390.512 3.995 20 30 GHEDLO C=C(C)COc1cc(C[NH+]2CCN(Cc3cccc(O)c3)CC2)ccc1OC ZINC000512722137 845172089 /nfs/dbraw/zinc/17/20/89/845172089.db2.gz BGBFYLMEQDPXKZ-UHFFFAOYSA-N 1 2 382.504 3.674 20 30 GHEDLO Cc1nc(N2CCN(C(=O)N[C@H]3CC=C(c4ccc(F)cc4)CC3)CC2)cc[nH+]1 ZINC000329520033 861576211 /nfs/dbraw/zinc/57/62/11/861576211.db2.gz OEXJDEACRBUZMM-FQEVSTJZSA-N 1 2 395.482 3.596 20 30 GHEDLO CC[C@]1(CO)CCC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000548630256 845932376 /nfs/dbraw/zinc/93/23/76/845932376.db2.gz UYNHKIDBWRESDP-VFNWGFHPSA-N 1 2 389.565 3.700 20 30 GHEDLO CC[C@]1(CO)CCC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000548630256 845932383 /nfs/dbraw/zinc/93/23/83/845932383.db2.gz UYNHKIDBWRESDP-VFNWGFHPSA-N 1 2 389.565 3.700 20 30 GHEDLO Cc1cc(Cl)ccc1C[NH+]1CCN([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000511067301 846246705 /nfs/dbraw/zinc/24/67/05/846246705.db2.gz UYHKXSAFLHPPMA-KRWDZBQOSA-N 1 2 396.922 3.665 20 30 GHEDLO CCC[N@H+](CC(=O)N(CCC#N)c1ccccc1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000502900817 846613375 /nfs/dbraw/zinc/61/33/75/846613375.db2.gz AKRQUZMCDQYNQO-IBGZPJMESA-N 1 2 392.503 3.672 20 30 GHEDLO CCC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000502900817 846613381 /nfs/dbraw/zinc/61/33/81/846613381.db2.gz AKRQUZMCDQYNQO-IBGZPJMESA-N 1 2 392.503 3.672 20 30 GHEDLO CO[C@H]1C[C@@H](C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCCO2)[N@H+](C)C1 ZINC000329055958 847160746 /nfs/dbraw/zinc/16/07/46/847160746.db2.gz MDUVZVJGKQDQGH-VYDXJSESSA-N 1 2 382.888 3.595 20 30 GHEDLO CO[C@H]1C[C@@H](C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCCO2)[N@@H+](C)C1 ZINC000329055958 847160750 /nfs/dbraw/zinc/16/07/50/847160750.db2.gz MDUVZVJGKQDQGH-VYDXJSESSA-N 1 2 382.888 3.595 20 30 GHEDLO FC(F)C(F)(F)COc1cc(NCc2nccn2CC(F)(F)F)cc[nH+]1 ZINC000582698600 848065984 /nfs/dbraw/zinc/06/59/84/848065984.db2.gz RRTFMONQIXIPBL-UHFFFAOYSA-N 1 2 386.271 3.732 20 30 GHEDLO CCOC1CC[NH+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)CC1 ZINC000604273777 862056961 /nfs/dbraw/zinc/05/69/61/862056961.db2.gz ILIWJLCLJDIPPU-UHFFFAOYSA-N 1 2 398.482 3.544 20 30 GHEDLO N#CCCn1cc(C[N@H+]2CCOc3c(F)cccc3C2)c(-c2ccccc2)n1 ZINC000435045123 850018039 /nfs/dbraw/zinc/01/80/39/850018039.db2.gz WWWIKZWYYXDZOD-UHFFFAOYSA-N 1 2 376.435 3.997 20 30 GHEDLO N#CCCn1cc(C[N@@H+]2CCOc3c(F)cccc3C2)c(-c2ccccc2)n1 ZINC000435045123 850018046 /nfs/dbraw/zinc/01/80/46/850018046.db2.gz WWWIKZWYYXDZOD-UHFFFAOYSA-N 1 2 376.435 3.997 20 30 GHEDLO O=C(Cc1cccc(F)c1)N1CCC[N@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000426446699 850203364 /nfs/dbraw/zinc/20/33/64/850203364.db2.gz BFUBDHNDSYJJKV-UHFFFAOYSA-N 1 2 384.882 3.608 20 30 GHEDLO O=C(Cc1cccc(F)c1)N1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000426446699 850203377 /nfs/dbraw/zinc/20/33/77/850203377.db2.gz BFUBDHNDSYJJKV-UHFFFAOYSA-N 1 2 384.882 3.608 20 30 GHEDLO Cc1ccc([C@@H]([NH2+]CC#Cc2ccc(Cl)cc2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000435906235 850963925 /nfs/dbraw/zinc/96/39/25/850963925.db2.gz JRSFLGRTMSKNEI-UZLBHIALSA-N 1 2 375.921 3.764 20 30 GHEDLO Cc1ccc([C@H]([NH2+]CC#Cc2cccc(Cl)c2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000435910557 850980125 /nfs/dbraw/zinc/98/01/25/850980125.db2.gz XRVVBQYBIDGUDC-OXQOHEQNSA-N 1 2 375.921 3.764 20 30 GHEDLO CCC(CC)(C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000440350259 851072183 /nfs/dbraw/zinc/07/21/83/851072183.db2.gz BERFHRSQAXKBRG-UHFFFAOYSA-N 1 2 375.516 3.960 20 30 GHEDLO CC(C)[C@@]1(CO)CCC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000550063892 851335001 /nfs/dbraw/zinc/33/50/01/851335001.db2.gz VLWOENANGQLDCT-NRFANRHFSA-N 1 2 389.565 3.558 20 30 GHEDLO CC(C)[C@@]1(CO)CCC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000550063892 851335007 /nfs/dbraw/zinc/33/50/07/851335007.db2.gz VLWOENANGQLDCT-NRFANRHFSA-N 1 2 389.565 3.558 20 30 GHEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCC=C(C)C2)c1C#N ZINC000436259661 851390805 /nfs/dbraw/zinc/39/08/05/851390805.db2.gz LSGQIKTUWQERPO-UHFFFAOYSA-N 1 2 380.467 3.755 20 30 GHEDLO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+]2CCC=C(C)C2)c1C#N ZINC000436259661 851390814 /nfs/dbraw/zinc/39/08/14/851390814.db2.gz LSGQIKTUWQERPO-UHFFFAOYSA-N 1 2 380.467 3.755 20 30 GHEDLO CC[N@H+](Cc1cc(Br)ccc1F)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000488730362 851726439 /nfs/dbraw/zinc/72/64/39/851726439.db2.gz VETKYCIBTJGNOU-UGSOOPFHSA-N 1 2 398.320 3.853 20 30 GHEDLO CC[N@@H+](Cc1cc(Br)ccc1F)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000488730362 851726444 /nfs/dbraw/zinc/72/64/44/851726444.db2.gz VETKYCIBTJGNOU-UGSOOPFHSA-N 1 2 398.320 3.853 20 30 GHEDLO Cc1cccn2cc(CC(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)[nH+]c12 ZINC000604561656 862277325 /nfs/dbraw/zinc/27/73/25/862277325.db2.gz OHLMDRRKMUDLJH-UHFFFAOYSA-N 1 2 388.349 3.637 20 30 GHEDLO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCCn2cc[nH+]c2)cc1 ZINC000604527909 862281333 /nfs/dbraw/zinc/28/13/33/862281333.db2.gz RIKUCTLZMVYAOB-UHFFFAOYSA-N 1 2 376.435 3.903 20 30 GHEDLO C=CCOc1c(Br)cc(C[NH2+][C@H](C)c2nnc(C)[nH]2)cc1OCC ZINC000894771486 852136908 /nfs/dbraw/zinc/13/69/08/852136908.db2.gz KCBMKSWUQMFESR-LLVKDONJSA-N 1 2 395.301 3.690 20 30 GHEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000516131013 852186148 /nfs/dbraw/zinc/18/61/48/852186148.db2.gz GMVIRRCVGVDXCM-FQEVSTJZSA-N 1 2 378.407 3.925 20 30 GHEDLO C=CC[N@@H+](CC(=O)Nc1cc(C)nn1-c1ccccc1F)Cc1ccccc1 ZINC000570442982 852255000 /nfs/dbraw/zinc/25/50/00/852255000.db2.gz PIALHNLRHZMWLC-UHFFFAOYSA-N 1 2 378.451 3.947 20 30 GHEDLO C=CC[N@H+](CC(=O)Nc1cc(C)nn1-c1ccccc1F)Cc1ccccc1 ZINC000570442982 852255012 /nfs/dbraw/zinc/25/50/12/852255012.db2.gz PIALHNLRHZMWLC-UHFFFAOYSA-N 1 2 378.451 3.947 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)c1C ZINC000506958916 852385707 /nfs/dbraw/zinc/38/57/07/852385707.db2.gz VBMCMEWPABFJEG-UHFFFAOYSA-N 1 2 394.515 3.680 20 30 GHEDLO COCC[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)Cc1scnc1C ZINC000489501804 852390629 /nfs/dbraw/zinc/39/06/29/852390629.db2.gz XBSUFENGTFQEGM-UHFFFAOYSA-N 1 2 384.423 3.850 20 30 GHEDLO COCC[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)Cc1scnc1C ZINC000489501804 852390639 /nfs/dbraw/zinc/39/06/39/852390639.db2.gz XBSUFENGTFQEGM-UHFFFAOYSA-N 1 2 384.423 3.850 20 30 GHEDLO N#Cc1ccccc1-c1ccc(C[NH+]2CCN(C(=O)c3ccccc3O)CC2)cc1 ZINC000436843150 852407868 /nfs/dbraw/zinc/40/78/68/852407868.db2.gz GTRZCQGNRJELJP-UHFFFAOYSA-N 1 2 397.478 3.889 20 30 GHEDLO COc1ccc(C#N)cc1NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000426103029 852697829 /nfs/dbraw/zinc/69/78/29/852697829.db2.gz UGBMXVRWZIDRCL-CTNGQTDRSA-N 1 2 387.443 3.814 20 30 GHEDLO COCc1cccc2sc(=NC(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)[nH]c21 ZINC000329888731 862399815 /nfs/dbraw/zinc/39/98/15/862399815.db2.gz ZIYCAHMDRJPWFX-HIFRSBDPSA-N 1 2 385.493 3.768 20 30 GHEDLO N#Cc1ccc(F)c(C[NH+]2CCC3(CN(c4ccccc4)C(=O)O3)CC2)c1F ZINC001143172977 862468338 /nfs/dbraw/zinc/46/83/38/862468338.db2.gz ITKSFSFNIXDYPC-UHFFFAOYSA-N 1 2 383.398 3.828 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3cc(Cl)cc4cccnc43)CC2)cc1 ZINC000054852296 853561961 /nfs/dbraw/zinc/56/19/61/853561961.db2.gz SAEQOLCIRUCJLV-UHFFFAOYSA-N 1 2 390.874 3.718 20 30 GHEDLO CC(C)(C)c1ccc(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000520158082 853894019 /nfs/dbraw/zinc/89/40/19/853894019.db2.gz YKKNTNNODMYCRL-UHFFFAOYSA-N 1 2 390.531 3.883 20 30 GHEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NC[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000330038666 862523454 /nfs/dbraw/zinc/52/34/54/862523454.db2.gz BNAJDMNUYPEXSL-QUCCMNQESA-N 1 2 386.540 3.556 20 30 GHEDLO Cc1cccn2c(/C=C3/COC/C(=C/c4c[nH+]c5c(C)cccn45)C3=O)cnc12 ZINC000156769133 854256387 /nfs/dbraw/zinc/25/63/87/854256387.db2.gz KHFCMXPGWCJVJB-XFQWXJFMSA-N 1 2 384.439 3.665 20 30 GHEDLO Cn1ncc2c1C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)CC2 ZINC000328651328 854489949 /nfs/dbraw/zinc/48/99/49/854489949.db2.gz JORDCBNKHTWWGW-FMEYXAORSA-N 1 2 390.890 3.719 20 30 GHEDLO Cn1ncc2c1C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)CC2 ZINC000328651328 854489955 /nfs/dbraw/zinc/48/99/55/854489955.db2.gz JORDCBNKHTWWGW-FMEYXAORSA-N 1 2 390.890 3.719 20 30 GHEDLO C[C@@H](NC(=O)C[N@@H+]1CCCN(C(=O)CC2CCCC2)CC1)c1ccc(F)cc1 ZINC000328775454 854536657 /nfs/dbraw/zinc/53/66/57/854536657.db2.gz SKLJHROQPKHODI-QGZVFWFLSA-N 1 2 389.515 3.958 20 30 GHEDLO C[C@@H](NC(=O)C[N@H+]1CCCN(C(=O)CC2CCCC2)CC1)c1ccc(F)cc1 ZINC000328775454 854536662 /nfs/dbraw/zinc/53/66/62/854536662.db2.gz SKLJHROQPKHODI-QGZVFWFLSA-N 1 2 389.515 3.958 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[C@H](C4CCOCC4)C3)n2)C1 ZINC000328856392 854579956 /nfs/dbraw/zinc/57/99/56/854579956.db2.gz UFNFXTHACFKUCB-WBVHZDCISA-N 1 2 392.569 3.669 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[C@H](C4CCOCC4)C3)n2)C1 ZINC000328856392 854579961 /nfs/dbraw/zinc/57/99/61/854579961.db2.gz UFNFXTHACFKUCB-WBVHZDCISA-N 1 2 392.569 3.669 20 30 GHEDLO O=C(Nc1cccc2c1CN(c1nccs1)C2)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000328888258 854598757 /nfs/dbraw/zinc/59/87/57/854598757.db2.gz PJEPZBULSILSAF-UHFFFAOYSA-N 1 2 394.504 3.812 20 30 GHEDLO C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1)c1ccc2c(c1)CCCC2 ZINC000330141548 862609011 /nfs/dbraw/zinc/60/90/11/862609011.db2.gz XQRGWNUTWPEDGF-PMAPCBKXSA-N 1 2 386.536 3.853 20 30 GHEDLO C[C@@H](NC(=O)C[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1)c1ccc2c(c1)CCCC2 ZINC000330141548 862609021 /nfs/dbraw/zinc/60/90/21/862609021.db2.gz XQRGWNUTWPEDGF-PMAPCBKXSA-N 1 2 386.536 3.853 20 30 GHEDLO O=C(C[N@@H+]1CCS[C@H]2COCC[C@H]21)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000330179688 862637264 /nfs/dbraw/zinc/63/72/64/862637264.db2.gz MQEKTHIMZZDIBS-CVEARBPZSA-N 1 2 393.509 3.744 20 30 GHEDLO O=C(C[N@H+]1CCS[C@H]2COCC[C@H]21)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000330179688 862637270 /nfs/dbraw/zinc/63/72/70/862637270.db2.gz MQEKTHIMZZDIBS-CVEARBPZSA-N 1 2 393.509 3.744 20 30 GHEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000054537447 855165502 /nfs/dbraw/zinc/16/55/02/855165502.db2.gz ZZUASXXHAMNHEW-UHFFFAOYSA-N 1 2 379.464 3.662 20 30 GHEDLO COc1ccc(Br)c([C@H](CO)[N@H+](C)Cc2ccc(C#N)cc2C)c1 ZINC000590755838 855564661 /nfs/dbraw/zinc/56/46/61/855564661.db2.gz DJBYEEBHCGYVLE-IBGZPJMESA-N 1 2 389.293 3.803 20 30 GHEDLO COc1ccc(Br)c([C@H](CO)[N@@H+](C)Cc2ccc(C#N)cc2C)c1 ZINC000590755838 855564668 /nfs/dbraw/zinc/56/46/68/855564668.db2.gz DJBYEEBHCGYVLE-IBGZPJMESA-N 1 2 389.293 3.803 20 30 GHEDLO COc1cccc2c1C[N@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)CC2 ZINC000590759644 855566018 /nfs/dbraw/zinc/56/60/18/855566018.db2.gz DDPZJEOWCWWRQA-UHFFFAOYSA-N 1 2 377.488 3.617 20 30 GHEDLO COc1cccc2c1C[N@@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)CC2 ZINC000590759644 855566024 /nfs/dbraw/zinc/56/60/24/855566024.db2.gz DDPZJEOWCWWRQA-UHFFFAOYSA-N 1 2 377.488 3.617 20 30 GHEDLO C=CCN(Cc1ccccc1F)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000056809316 855677556 /nfs/dbraw/zinc/67/75/56/855677556.db2.gz QBJJPUMDSGIDBG-UHFFFAOYSA-N 1 2 397.494 3.556 20 30 GHEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000056848482 855694117 /nfs/dbraw/zinc/69/41/17/855694117.db2.gz GWMIROYHMVMENY-UHFFFAOYSA-N 1 2 390.487 3.838 20 30 GHEDLO C=CCOc1ccc(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)cc1OC ZINC000591254171 855827315 /nfs/dbraw/zinc/82/73/15/855827315.db2.gz SODFUIVJJZSIQQ-QGZVFWFLSA-N 1 2 396.487 3.906 20 30 GHEDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2nc3ccccn3c2C#N)CC1 ZINC000302186990 855831792 /nfs/dbraw/zinc/83/17/92/855831792.db2.gz PUFHASZCPHUIRO-SFHVURJKSA-N 1 2 381.430 3.757 20 30 GHEDLO C[N@@H+]1CCO[C@@H]([C@H](Nc2cc(C#N)ccc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000302212615 855839926 /nfs/dbraw/zinc/83/99/26/855839926.db2.gz NBVGEDRHRNILRY-RTBURBONSA-N 1 2 386.839 3.604 20 30 GHEDLO C[N@H+]1CCO[C@@H]([C@H](Nc2cc(C#N)ccc2[N+](=O)[O-])c2ccc(Cl)cc2)C1 ZINC000302212615 855839931 /nfs/dbraw/zinc/83/99/31/855839931.db2.gz NBVGEDRHRNILRY-RTBURBONSA-N 1 2 386.839 3.604 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC([C@@H](O)c3ccc(F)cc3)CC2)c(C#N)c1C ZINC000108386583 855856763 /nfs/dbraw/zinc/85/67/63/855856763.db2.gz PXZYBZIENLVGPO-XOBRGWDASA-N 1 2 399.466 3.680 20 30 GHEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCCc1c(Cl)cccc1Cl ZINC000482173564 862771700 /nfs/dbraw/zinc/77/17/00/862771700.db2.gz XFSRQJGOLGEDJL-CQSZACIVSA-N 1 2 390.318 3.798 20 30 GHEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CCCc1c(Cl)cccc1Cl ZINC000482173564 862771714 /nfs/dbraw/zinc/77/17/14/862771714.db2.gz XFSRQJGOLGEDJL-CQSZACIVSA-N 1 2 390.318 3.798 20 30 GHEDLO COc1c(C)c[nH+]c(CN(C)C(=O)CCCCOc2cccc(C#N)c2)c1C ZINC000171768330 856258184 /nfs/dbraw/zinc/25/81/84/856258184.db2.gz RVPWVASRVSEBOV-UHFFFAOYSA-N 1 2 381.476 3.786 20 30 GHEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)c2ccccc2OC(F)F)CC1 ZINC000172395452 856422954 /nfs/dbraw/zinc/42/29/54/856422954.db2.gz VPMKNNBXMCORLX-OAHLLOKOSA-N 1 2 385.414 3.679 20 30 GHEDLO CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245607668 856998831 /nfs/dbraw/zinc/99/88/31/856998831.db2.gz SPGMUXVABXHFEQ-PKOBYXMFSA-N 1 2 386.858 3.700 20 30 GHEDLO CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245607668 856998838 /nfs/dbraw/zinc/99/88/38/856998838.db2.gz SPGMUXVABXHFEQ-PKOBYXMFSA-N 1 2 386.858 3.700 20 30 GHEDLO COCC[N@H+](CC(=O)N[C@H](C)c1ccc(Cl)cc1)Cc1ccc(C#N)cc1 ZINC000063754064 857051279 /nfs/dbraw/zinc/05/12/79/857051279.db2.gz UBMNBMFKRCGQSI-MRXNPFEDSA-N 1 2 385.895 3.537 20 30 GHEDLO COCC[N@@H+](CC(=O)N[C@H](C)c1ccc(Cl)cc1)Cc1ccc(C#N)cc1 ZINC000063754064 857051289 /nfs/dbraw/zinc/05/12/89/857051289.db2.gz UBMNBMFKRCGQSI-MRXNPFEDSA-N 1 2 385.895 3.537 20 30 GHEDLO C[N@@H+]1CCO[C@H]([C@@H](Nc2ncc(C#N)cc2Cl)c2ccc(Cl)cc2)C1 ZINC000245666081 857071225 /nfs/dbraw/zinc/07/12/25/857071225.db2.gz BHISLMCPFNXMQD-IRXDYDNUSA-N 1 2 377.275 3.744 20 30 GHEDLO C[N@H+]1CCO[C@H]([C@@H](Nc2ncc(C#N)cc2Cl)c2ccc(Cl)cc2)C1 ZINC000245666081 857071237 /nfs/dbraw/zinc/07/12/37/857071237.db2.gz BHISLMCPFNXMQD-IRXDYDNUSA-N 1 2 377.275 3.744 20 30 GHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc(C#N)c(Cl)c1 ZINC000157745473 857260151 /nfs/dbraw/zinc/26/01/51/857260151.db2.gz XVKRTUZNUBHOJA-UHFFFAOYSA-N 1 2 382.895 3.985 20 30 GHEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)CCO1 ZINC000330328622 862911700 /nfs/dbraw/zinc/91/17/00/862911700.db2.gz LWBFSQQPCASYSL-NEWSRXKRSA-N 1 2 388.899 3.949 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)NCC2(C#N)CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000593386639 857563792 /nfs/dbraw/zinc/56/37/92/857563792.db2.gz WSXZYDBLDVGJGA-DLBZAZTESA-N 1 2 378.879 3.607 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)NCC2(C#N)CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000593386639 857563798 /nfs/dbraw/zinc/56/37/98/857563798.db2.gz WSXZYDBLDVGJGA-DLBZAZTESA-N 1 2 378.879 3.607 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)Nc2nc(Cl)c(C#N)s2)[C@H]1c1ccc(F)c(F)c1 ZINC000888419019 857636981 /nfs/dbraw/zinc/63/69/81/857636981.db2.gz GOCCFYGYVQTTJX-DGCLKSJQSA-N 1 2 397.838 3.513 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)Nc2nc(Cl)c(C#N)s2)[C@H]1c1ccc(F)c(F)c1 ZINC000888419019 857636985 /nfs/dbraw/zinc/63/69/85/857636985.db2.gz GOCCFYGYVQTTJX-DGCLKSJQSA-N 1 2 397.838 3.513 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)CCc2nccs2)c1C#N ZINC000157884576 857790144 /nfs/dbraw/zinc/79/01/44/857790144.db2.gz YEELJQJKFXKBHK-UHFFFAOYSA-N 1 2 385.537 3.661 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)CCc2nccs2)c1C#N ZINC000157884576 857790157 /nfs/dbraw/zinc/79/01/57/857790157.db2.gz YEELJQJKFXKBHK-UHFFFAOYSA-N 1 2 385.537 3.661 20 30 GHEDLO N#Cc1ccccc1C(F)(F)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000907836660 857803242 /nfs/dbraw/zinc/80/32/42/857803242.db2.gz NZUVNMZCEPQQKW-UHFFFAOYSA-N 1 2 384.430 3.589 20 30 GHEDLO C[C@@H]([NH2+][C@H](Cc1ccccc1)c1ncco1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000594053395 857855985 /nfs/dbraw/zinc/85/59/85/857855985.db2.gz AGPKDDRUKMUUBE-YDJSWOFHSA-N 1 2 394.519 3.867 20 30 GHEDLO COc1cc(C[N@@H+]2CCO[C@H](c3ccc(Br)cc3)C2)ccc1C#N ZINC000442796310 858140316 /nfs/dbraw/zinc/14/03/16/858140316.db2.gz CRRJWGKGMRKNJH-IBGZPJMESA-N 1 2 387.277 3.903 20 30 GHEDLO COc1cc(C[N@H+]2CCO[C@H](c3ccc(Br)cc3)C2)ccc1C#N ZINC000442796310 858140320 /nfs/dbraw/zinc/14/03/20/858140320.db2.gz CRRJWGKGMRKNJH-IBGZPJMESA-N 1 2 387.277 3.903 20 30 GHEDLO CN(Cc1ccco1)C(=O)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000114715545 858182473 /nfs/dbraw/zinc/18/24/73/858182473.db2.gz BJFHIKUZTSPITG-UHFFFAOYSA-N 1 2 391.446 3.951 20 30 GHEDLO CN(Cc1ccco1)C(=O)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000114715545 858182475 /nfs/dbraw/zinc/18/24/75/858182475.db2.gz BJFHIKUZTSPITG-UHFFFAOYSA-N 1 2 391.446 3.951 20 30 GHEDLO N#Cc1ccc(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cc1O ZINC000442876700 858198502 /nfs/dbraw/zinc/19/85/02/858198502.db2.gz VRHIGSBKFPPMAO-QGZVFWFLSA-N 1 2 387.842 3.623 20 30 GHEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)cc1Cl ZINC000066848249 858322280 /nfs/dbraw/zinc/32/22/80/858322280.db2.gz AXIMXKRLYCOUIU-LJQANCHMSA-N 1 2 387.842 3.753 20 30 GHEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)cc1Cl ZINC000066848249 858322287 /nfs/dbraw/zinc/32/22/87/858322287.db2.gz AXIMXKRLYCOUIU-LJQANCHMSA-N 1 2 387.842 3.753 20 30 GHEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCCN(c4cccc(F)c4F)CC3)o2)c1 ZINC000595506371 858548221 /nfs/dbraw/zinc/54/82/21/858548221.db2.gz GDFNDCVGSKCPID-UHFFFAOYSA-N 1 2 395.413 3.599 20 30 GHEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCCN(c4cccc(F)c4F)CC3)o2)c1 ZINC000595506371 858548225 /nfs/dbraw/zinc/54/82/25/858548225.db2.gz GDFNDCVGSKCPID-UHFFFAOYSA-N 1 2 395.413 3.599 20 30 GHEDLO C[C@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000595514497 858550095 /nfs/dbraw/zinc/55/00/95/858550095.db2.gz HXKBDHPMZGPSDT-CZUORRHYSA-N 1 2 384.867 3.521 20 30 GHEDLO C[C@H](c1nc2ccc(Cl)cc2[nH]1)[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000595514497 858550100 /nfs/dbraw/zinc/55/01/00/858550100.db2.gz HXKBDHPMZGPSDT-CZUORRHYSA-N 1 2 384.867 3.521 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H](CC#N)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000595579593 858558503 /nfs/dbraw/zinc/55/85/03/858558503.db2.gz KRBPIOWMHTVWIN-FMEYXAORSA-N 1 2 394.441 3.574 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)N2CCC[C@H](CC#N)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000595579593 858558507 /nfs/dbraw/zinc/55/85/07/858558507.db2.gz KRBPIOWMHTVWIN-FMEYXAORSA-N 1 2 394.441 3.574 20 30 GHEDLO CCOc1ccc(C#N)cc1NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000067584152 858625840 /nfs/dbraw/zinc/62/58/40/858625840.db2.gz IVTSCQMAYKKSGI-UHFFFAOYSA-N 1 2 379.395 3.603 20 30 GHEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CCC[C@H](CC#N)C2)c1C#N ZINC000595613210 858631384 /nfs/dbraw/zinc/63/13/84/858631384.db2.gz AVHRWKKKOWBOQT-QGZVFWFLSA-N 1 2 393.466 3.669 20 30 GHEDLO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CCC[C@H](CC#N)C2)c1C#N ZINC000595613210 858631390 /nfs/dbraw/zinc/63/13/90/858631390.db2.gz AVHRWKKKOWBOQT-QGZVFWFLSA-N 1 2 393.466 3.669 20 30 GHEDLO Cc1cc(-c2noc(C[NH2+]C3(c4cccc(C#N)c4)CCOCC3)n2)ccc1F ZINC000595764192 858662109 /nfs/dbraw/zinc/66/21/09/858662109.db2.gz GTSQBPWYDAYXCR-UHFFFAOYSA-N 1 2 392.434 3.851 20 30 GHEDLO CCCN(C)CC(C)(C)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000595872780 858721603 /nfs/dbraw/zinc/72/16/03/858721603.db2.gz GPMWSLGJRMVAKK-UHFFFAOYSA-N 1 2 387.572 3.740 20 30 GHEDLO CC(C)n1cc2cc(NC(=O)N[C@@H]3CCO[C@@H](c4c[nH+]cn4C)C3)ccc2n1 ZINC000330357873 863065862 /nfs/dbraw/zinc/06/58/62/863065862.db2.gz UBZZNFLTAXLDGE-VQIMIIECSA-N 1 2 382.468 3.597 20 30 GHEDLO COc1ccc(Br)c(C[N@H+](C)Cc2ccc(OC)c(C#N)c2)c1 ZINC000429283317 858934036 /nfs/dbraw/zinc/93/40/36/858934036.db2.gz GNQXEKYYWLJDOC-UHFFFAOYSA-N 1 2 375.266 3.970 20 30 GHEDLO COc1ccc(Br)c(C[N@@H+](C)Cc2ccc(OC)c(C#N)c2)c1 ZINC000429283317 858934043 /nfs/dbraw/zinc/93/40/43/858934043.db2.gz GNQXEKYYWLJDOC-UHFFFAOYSA-N 1 2 375.266 3.970 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)NC(C)(C)c2cccc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000596536387 858946663 /nfs/dbraw/zinc/94/66/63/858946663.db2.gz WWFGTGLJTIRSMS-PMACEKPBSA-N 1 2 398.457 3.816 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)NC(C)(C)c2cccc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000596536387 858946671 /nfs/dbraw/zinc/94/66/71/858946671.db2.gz WWFGTGLJTIRSMS-PMACEKPBSA-N 1 2 398.457 3.816 20 30 GHEDLO Cc1cccc(CC2(O)CC[NH+](CC(=O)Nc3cc(Cl)ccc3C#N)CC2)c1 ZINC000482935666 858985032 /nfs/dbraw/zinc/98/50/32/858985032.db2.gz HXRCHIAGYVAVRS-UHFFFAOYSA-N 1 2 397.906 3.528 20 30 GHEDLO N#Cc1ccc(CCNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1 ZINC000596673588 858997815 /nfs/dbraw/zinc/99/78/15/858997815.db2.gz UNQQAMOEBUFFFQ-VXKWHMMOSA-N 1 2 385.471 3.525 20 30 GHEDLO COc1ccc(C[NH+]2CCN(c3ccsc3C#N)CC2)cc1OCCCC#N ZINC000597184417 859343933 /nfs/dbraw/zinc/34/39/33/859343933.db2.gz WCZGGRGNGYUSEC-UHFFFAOYSA-N 1 2 396.516 3.633 20 30 GHEDLO C=CC[N@@H+](CC(=O)N[C@H](C)c1cc(OC)c(OC)cc1C)Cc1cccs1 ZINC000051824537 859347416 /nfs/dbraw/zinc/34/74/16/859347416.db2.gz DVEKDOVOXYXZFR-MRXNPFEDSA-N 1 2 388.533 3.939 20 30 GHEDLO C=CC[N@H+](CC(=O)N[C@H](C)c1cc(OC)c(OC)cc1C)Cc1cccs1 ZINC000051824537 859347425 /nfs/dbraw/zinc/34/74/25/859347425.db2.gz DVEKDOVOXYXZFR-MRXNPFEDSA-N 1 2 388.533 3.939 20 30 GHEDLO COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000161109899 859601730 /nfs/dbraw/zinc/60/17/30/859601730.db2.gz BHXNRXBSQLQPRD-INIZCTEOSA-N 1 2 388.427 3.757 20 30 GHEDLO CCc1noc([C@@H]2CCC[N@H+](Cc3ccc(Br)cc3C#N)C2)n1 ZINC001141816839 859643445 /nfs/dbraw/zinc/64/34/45/859643445.db2.gz NLEBATDURCKPLB-CYBMUJFWSA-N 1 2 375.270 3.646 20 30 GHEDLO CCc1noc([C@@H]2CCC[N@@H+](Cc3ccc(Br)cc3C#N)C2)n1 ZINC001141816839 859643447 /nfs/dbraw/zinc/64/34/47/859643447.db2.gz NLEBATDURCKPLB-CYBMUJFWSA-N 1 2 375.270 3.646 20 30 GHEDLO COc1ccc2oc(C[NH+]3CCN(c4oc(C5CC5)nc4C#N)CC3)cc2c1 ZINC000611259872 859670242 /nfs/dbraw/zinc/67/02/42/859670242.db2.gz GNHVJETWINDUPZ-UHFFFAOYSA-N 1 2 378.432 3.501 20 30 GHEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+](C)C2Cc3ccccc3C2)c1=S ZINC000764915690 859674096 /nfs/dbraw/zinc/67/40/96/859674096.db2.gz YFMMWIJSTAUPOX-UHFFFAOYSA-N 1 2 377.517 3.719 20 30 GHEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+](C)C2Cc3ccccc3C2)c1=S ZINC000764915690 859674102 /nfs/dbraw/zinc/67/41/02/859674102.db2.gz YFMMWIJSTAUPOX-UHFFFAOYSA-N 1 2 377.517 3.719 20 30 GHEDLO COC[C@H]([NH2+]Cc1cccc(C(=O)OC)c1C#N)c1cccc(C(F)(F)F)c1 ZINC000611396728 859736418 /nfs/dbraw/zinc/73/64/18/859736418.db2.gz HJZWMUYRHHKINF-SFHVURJKSA-N 1 2 392.377 3.841 20 30 GHEDLO Cc1nc2sccn2c1C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000474272865 859742076 /nfs/dbraw/zinc/74/20/76/859742076.db2.gz CGJSOGQVOZYAJZ-OAHLLOKOSA-N 1 2 399.495 3.611 20 30 GHEDLO Cc1nc2sccn2c1C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000474272865 859742082 /nfs/dbraw/zinc/74/20/82/859742082.db2.gz CGJSOGQVOZYAJZ-OAHLLOKOSA-N 1 2 399.495 3.611 20 30 GHEDLO N#CCn1c(-c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)cc2ccccc21 ZINC000611530059 859802222 /nfs/dbraw/zinc/80/22/22/859802222.db2.gz JNOATFTWRNTVOY-OAQYLSRUSA-N 1 2 399.454 3.788 20 30 GHEDLO N#CCn1c(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)cc2ccccc21 ZINC000611530059 859802228 /nfs/dbraw/zinc/80/22/28/859802228.db2.gz JNOATFTWRNTVOY-OAQYLSRUSA-N 1 2 399.454 3.788 20 30 GHEDLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N[C@@H](CCCC#N)c2ccccc2)cc1 ZINC000602157821 859814348 /nfs/dbraw/zinc/81/43/48/859814348.db2.gz FHTZMECCLQLDDO-FCHUYYIVSA-N 1 2 377.488 3.821 20 30 GHEDLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N[C@@H](CCCC#N)c2ccccc2)cc1 ZINC000602157821 859814357 /nfs/dbraw/zinc/81/43/57/859814357.db2.gz FHTZMECCLQLDDO-FCHUYYIVSA-N 1 2 377.488 3.821 20 30 GHEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1 ZINC000552427928 860526946 /nfs/dbraw/zinc/52/69/46/860526946.db2.gz ZAGDBOHOLSUPOX-HNNXBMFYSA-N 1 2 385.508 3.942 20 30 GHEDLO C=C(C)COCCNC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000474802226 860803693 /nfs/dbraw/zinc/80/36/93/860803693.db2.gz PPXXFOLOCYERBE-KRWDZBQOSA-N 1 2 383.895 3.508 20 30 GHEDLO O=C(NC1CCCCC1)NC1CC[NH+](Cc2cnc3ccc(Cl)cn23)CC1 ZINC000329080224 861001530 /nfs/dbraw/zinc/00/15/30/861001530.db2.gz RGYHLQKRQCIURT-UHFFFAOYSA-N 1 2 389.931 3.788 20 30 GHEDLO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2csc(N(C(C)=O)C3CC3)n2)c1 ZINC000734511064 864269480 /nfs/dbraw/zinc/26/94/80/864269480.db2.gz VTGOFDQZZFZKSB-SFHVURJKSA-N 1 2 384.505 3.629 20 30 GHEDLO CCc1ncc(C[NH+]2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)cn1 ZINC000897053944 864369395 /nfs/dbraw/zinc/36/93/95/864369395.db2.gz DKKBWLFAKZQAMZ-UWVGGRQHSA-N 1 2 389.290 3.642 20 30 GHEDLO CCOc1ccccc1N1CC[NH+](Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000735304654 864718231 /nfs/dbraw/zinc/71/82/31/864718231.db2.gz MCIYTRIXBHYEKF-UHFFFAOYSA-N 1 2 385.895 3.963 20 30 GHEDLO C=CCC1(NC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCOCC1 ZINC000665626243 865032870 /nfs/dbraw/zinc/03/28/70/865032870.db2.gz UABNCAZRLNXZPX-HDICACEKSA-N 1 2 387.524 3.543 20 30 GHEDLO C=CCC1(NC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCOCC1 ZINC000665626243 865032882 /nfs/dbraw/zinc/03/28/82/865032882.db2.gz UABNCAZRLNXZPX-HDICACEKSA-N 1 2 387.524 3.543 20 30 GHEDLO NC(=[NH+]OCc1nc(-c2cc(Br)cs2)no1)c1ccc(F)cc1 ZINC000736297620 865179284 /nfs/dbraw/zinc/17/92/84/865179284.db2.gz YVDRUCOKCKXAAE-UHFFFAOYSA-N 1 2 397.229 3.537 20 30 GHEDLO COc1cc(CNC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)ccc1C#N ZINC000554961169 865221227 /nfs/dbraw/zinc/22/12/27/865221227.db2.gz VRJYISZADHOIHF-AWEZNQCLSA-N 1 2 399.520 3.577 20 30 GHEDLO COc1cc(CNC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)ccc1C#N ZINC000554961169 865221242 /nfs/dbraw/zinc/22/12/42/865221242.db2.gz VRJYISZADHOIHF-AWEZNQCLSA-N 1 2 399.520 3.577 20 30 GHEDLO C[C@@H](c1nnc(SCCOCCC#N)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000554969032 865272226 /nfs/dbraw/zinc/27/22/26/865272226.db2.gz AYCAVLLUHAKYPZ-ZDUSSCGKSA-N 1 2 379.917 3.566 20 30 GHEDLO COCC[N@H+](CC(=O)N[C@@H](c1cccs1)C(C)(C)C)Cc1ccc(C#N)cc1 ZINC000063753677 865304547 /nfs/dbraw/zinc/30/45/47/865304547.db2.gz XLPRVHVVTRIIRZ-NRFANRHFSA-N 1 2 399.560 3.972 20 30 GHEDLO COCC[N@@H+](CC(=O)N[C@@H](c1cccs1)C(C)(C)C)Cc1ccc(C#N)cc1 ZINC000063753677 865304562 /nfs/dbraw/zinc/30/45/62/865304562.db2.gz XLPRVHVVTRIIRZ-NRFANRHFSA-N 1 2 399.560 3.972 20 30 GHEDLO N#Cc1ccc(C2=CCN(C(=O)Cc3c[nH+]cn3Cc3ccccc3)CC2)cc1 ZINC000555073092 865456573 /nfs/dbraw/zinc/45/65/73/865456573.db2.gz RKVWPINTGCSQDP-UHFFFAOYSA-N 1 2 382.467 3.661 20 30 GHEDLO CC[C@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1nc(C(F)(F)F)cs1 ZINC000173221210 865777565 /nfs/dbraw/zinc/77/75/65/865777565.db2.gz DLZVMYGQPNQPNR-RYUDHWBXSA-N 1 2 388.459 3.934 20 30 GHEDLO C=C(C)Cn1c(CC2CCCCC2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000555243271 865778162 /nfs/dbraw/zinc/77/81/62/865778162.db2.gz NEECASVHLGZRAH-UHFFFAOYSA-N 1 2 380.540 3.699 20 30 GHEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000594334134 865873827 /nfs/dbraw/zinc/87/38/27/865873827.db2.gz ZZYBXBJSWFWKEZ-IFZYUDKTSA-N 1 2 383.442 3.577 20 30 GHEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000594334134 865873842 /nfs/dbraw/zinc/87/38/42/865873842.db2.gz ZZYBXBJSWFWKEZ-IFZYUDKTSA-N 1 2 383.442 3.577 20 30 GHEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000428352610 865999458 /nfs/dbraw/zinc/99/94/58/865999458.db2.gz RGSOJDOYHRESAR-KRWDZBQOSA-N 1 2 395.482 3.929 20 30 GHEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000428352610 865999466 /nfs/dbraw/zinc/99/94/66/865999466.db2.gz RGSOJDOYHRESAR-KRWDZBQOSA-N 1 2 395.482 3.929 20 30 GHEDLO C=CCn1c([C@@H]2COc3ccccc3O2)nn(C[N@@H+]2C[C@H](C)C[C@H]2C)c1=S ZINC000740861572 866045423 /nfs/dbraw/zinc/04/54/23/866045423.db2.gz PFDDXGXHSYEJOH-RKVPGOIHSA-N 1 2 386.521 3.800 20 30 GHEDLO C=CCn1c([C@@H]2COc3ccccc3O2)nn(C[N@H+]2C[C@H](C)C[C@H]2C)c1=S ZINC000740861572 866045438 /nfs/dbraw/zinc/04/54/38/866045438.db2.gz PFDDXGXHSYEJOH-RKVPGOIHSA-N 1 2 386.521 3.800 20 30 GHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC000740943346 866113768 /nfs/dbraw/zinc/11/37/68/866113768.db2.gz VBQXVGMMPQBJOD-MRXNPFEDSA-N 1 2 394.519 3.571 20 30 GHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000740943346 866113772 /nfs/dbraw/zinc/11/37/72/866113772.db2.gz VBQXVGMMPQBJOD-MRXNPFEDSA-N 1 2 394.519 3.571 20 30 GHEDLO C=CCSc1ccccc1NC(=O)CN1CCC(Nc2cccc[nH+]2)CC1 ZINC000534127949 866177966 /nfs/dbraw/zinc/17/79/66/866177966.db2.gz JDIQQIYHMAYXJT-UHFFFAOYSA-N 1 2 382.533 3.875 20 30 GHEDLO CC[N@H+](C)[C@H](C(=O)O[C@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000741150477 866290379 /nfs/dbraw/zinc/29/03/79/866290379.db2.gz HESHSWCDWOAAIN-NQIIRXRSSA-N 1 2 393.487 3.558 20 30 GHEDLO CC[N@@H+](C)[C@H](C(=O)O[C@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000741150477 866290396 /nfs/dbraw/zinc/29/03/96/866290396.db2.gz HESHSWCDWOAAIN-NQIIRXRSSA-N 1 2 393.487 3.558 20 30 GHEDLO Cc1ccc(C(=O)C2CC[NH+]([C@H](C)C(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000054295427 866617655 /nfs/dbraw/zinc/61/76/55/866617655.db2.gz ZYMGAMIJEGNFGR-QGZVFWFLSA-N 1 2 375.472 3.789 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc1cc(C)ccc1F ZINC000444726323 867150007 /nfs/dbraw/zinc/15/00/07/867150007.db2.gz AVQDHYDHABWSFC-QGZVFWFLSA-N 1 2 383.467 3.910 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc1cc(C)ccc1F ZINC000444726323 867150014 /nfs/dbraw/zinc/15/00/14/867150014.db2.gz AVQDHYDHABWSFC-QGZVFWFLSA-N 1 2 383.467 3.910 20 30 GHEDLO CC1(C)C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440542921 867167570 /nfs/dbraw/zinc/16/75/70/867167570.db2.gz IINXWEBWUSCLIP-ZJTDPSCFSA-N 1 2 387.911 3.820 20 30 GHEDLO CC1(C)C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440542921 867167580 /nfs/dbraw/zinc/16/75/80/867167580.db2.gz IINXWEBWUSCLIP-ZJTDPSCFSA-N 1 2 387.911 3.820 20 30 GHEDLO C=CCn1c(-c2ccccn2)nnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000508839330 867501883 /nfs/dbraw/zinc/50/18/83/867501883.db2.gz DMYZLSCFDSMPOU-UHFFFAOYSA-N 1 2 394.910 3.502 20 30 GHEDLO C#CCCCNC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000743690314 868362605 /nfs/dbraw/zinc/36/26/05/868362605.db2.gz WRDHCIXGPRHGGE-UHFFFAOYSA-N 1 2 385.508 3.795 20 30 GHEDLO Cc1ccc([C@@H]2CCCCC[N@@H+]2Cc2nc3ccccc3c(=O)n2CC#N)o1 ZINC000744403910 868812142 /nfs/dbraw/zinc/81/21/42/868812142.db2.gz ADEPCVFJZSAOAP-IBGZPJMESA-N 1 2 376.460 3.939 20 30 GHEDLO Cc1ccc([C@@H]2CCCCC[N@H+]2Cc2nc3ccccc3c(=O)n2CC#N)o1 ZINC000744403910 868812157 /nfs/dbraw/zinc/81/21/57/868812157.db2.gz ADEPCVFJZSAOAP-IBGZPJMESA-N 1 2 376.460 3.939 20 30 GHEDLO C#CCN(Cc1ccc(F)cc1)C(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000744433230 868835428 /nfs/dbraw/zinc/83/54/28/868835428.db2.gz NVBPWMYOCVDTIM-UHFFFAOYSA-N 1 2 381.476 3.677 20 30 GHEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3c(F)cccc3Br)C2)nc1 ZINC000428781952 868933731 /nfs/dbraw/zinc/93/37/31/868933731.db2.gz PDSPDVNPJZRXIO-CYBMUJFWSA-N 1 2 376.229 3.508 20 30 GHEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3c(F)cccc3Br)C2)nc1 ZINC000428781952 868933734 /nfs/dbraw/zinc/93/37/34/868933734.db2.gz PDSPDVNPJZRXIO-CYBMUJFWSA-N 1 2 376.229 3.508 20 30 GHEDLO Cn1c(-c2ccccc2)cn(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1=S ZINC000793592635 882299063 /nfs/dbraw/zinc/29/90/63/882299063.db2.gz SPXLHIITOUSMBC-GOSISDBHSA-N 1 2 391.500 3.601 20 30 GHEDLO Cn1c(-c2ccccc2)cn(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1=S ZINC000793592635 882299079 /nfs/dbraw/zinc/29/90/79/882299079.db2.gz SPXLHIITOUSMBC-GOSISDBHSA-N 1 2 391.500 3.601 20 30 GHEDLO CSc1ccccc1[C@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000441014474 869793349 /nfs/dbraw/zinc/79/33/49/869793349.db2.gz PACJWHDCGUQYFT-KRWDZBQOSA-N 1 2 394.544 3.869 20 30 GHEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000249681054 870881139 /nfs/dbraw/zinc/88/11/39/870881139.db2.gz BJDJDIQCKGALFB-PBHICJAKSA-N 1 2 378.314 3.594 20 30 GHEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000249681054 870881150 /nfs/dbraw/zinc/88/11/50/870881150.db2.gz BJDJDIQCKGALFB-PBHICJAKSA-N 1 2 378.314 3.594 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)c1C ZINC000538906718 870898656 /nfs/dbraw/zinc/89/86/56/870898656.db2.gz WLMCPQPCYYLOSI-NRFANRHFSA-N 1 2 397.563 3.588 20 30 GHEDLO Cc1cccn2cc(CCNC(=O)c3cn(CCCC#N)c4ccccc34)[nH+]c12 ZINC000618218840 871427047 /nfs/dbraw/zinc/42/70/47/871427047.db2.gz WMBWVNYVZLSCHP-UHFFFAOYSA-N 1 2 385.471 3.874 20 30 GHEDLO C[C@@H]1CN(c2ccc(NCc3cccc(OCCCC#N)c3)c[nH+]2)C[C@@H](C)O1 ZINC000525998006 871914703 /nfs/dbraw/zinc/91/47/03/871914703.db2.gz RWMHPARBBRAHCI-QZTJIDSGSA-N 1 2 380.492 3.990 20 30 GHEDLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC(Oc3ccc(C#N)cc3)CC1)C2 ZINC000526023373 871965897 /nfs/dbraw/zinc/96/58/97/871965897.db2.gz MDKWBRRZIRSLDH-QGZVFWFLSA-N 1 2 392.503 3.580 20 30 GHEDLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC(Oc3ccc(C#N)cc3)CC1)CC2 ZINC000526023373 871965908 /nfs/dbraw/zinc/96/59/08/871965908.db2.gz MDKWBRRZIRSLDH-QGZVFWFLSA-N 1 2 392.503 3.580 20 30 GHEDLO C[C@H](Cc1ccc(O)cc1)[N@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000766941670 872102036 /nfs/dbraw/zinc/10/20/36/872102036.db2.gz IYXGWABAANLKRS-RHSMWYFYSA-N 1 2 379.485 3.741 20 30 GHEDLO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000766941670 872102043 /nfs/dbraw/zinc/10/20/43/872102043.db2.gz IYXGWABAANLKRS-RHSMWYFYSA-N 1 2 379.485 3.741 20 30 GHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1 ZINC000794125251 882583507 /nfs/dbraw/zinc/58/35/07/882583507.db2.gz JADJRUWYNAMCOE-HNNXBMFYSA-N 1 2 379.407 3.865 20 30 GHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1 ZINC000794125251 882583516 /nfs/dbraw/zinc/58/35/16/882583516.db2.gz JADJRUWYNAMCOE-HNNXBMFYSA-N 1 2 379.407 3.865 20 30 GHEDLO Cc1ccc([C@@H]([NH2+]CC(=O)N(C)C2(C#N)CCCCC2)c2ccccn2)cc1 ZINC000527318663 873002890 /nfs/dbraw/zinc/00/28/90/873002890.db2.gz PTEGISIGCXKWEC-JOCHJYFZSA-N 1 2 376.504 3.754 20 30 GHEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2ccc(C#N)c(Cl)c2)CC1 ZINC000619769918 873009410 /nfs/dbraw/zinc/00/94/10/873009410.db2.gz SYPASXZEOCRDMC-AWEZNQCLSA-N 1 2 388.924 3.862 20 30 GHEDLO C=CCOCCCC(=O)N(CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000464082166 873187800 /nfs/dbraw/zinc/18/78/00/873187800.db2.gz OFEGIEMJYSXKNC-UHFFFAOYSA-N 1 2 388.556 3.709 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(OC)c(O[C@@H](C)CC)c2)c1 ZINC000768915834 873684808 /nfs/dbraw/zinc/68/48/08/873684808.db2.gz PGLOIDKVTGBVPB-KRWDZBQOSA-N 1 2 380.488 3.924 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(OC)c(O[C@@H](C)CC)c2)c1 ZINC000768915834 873684814 /nfs/dbraw/zinc/68/48/14/873684814.db2.gz PGLOIDKVTGBVPB-KRWDZBQOSA-N 1 2 380.488 3.924 20 30 GHEDLO C=CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000541693692 874108499 /nfs/dbraw/zinc/10/84/99/874108499.db2.gz OJPUSRUVOYMDSC-UHFFFAOYSA-N 1 2 397.482 3.519 20 30 GHEDLO Cc1[nH]c(C#N)cc1C(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000448952186 874247426 /nfs/dbraw/zinc/24/74/26/874247426.db2.gz QXKRAUQPRUZMJS-UHFFFAOYSA-N 1 2 399.857 3.917 20 30 GHEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)Cc1cc(-c2ccccc2)n[nH]1 ZINC001198534368 874465970 /nfs/dbraw/zinc/46/59/70/874465970.db2.gz VWZCVVYBBBBRQB-FRIYVGAWSA-N 1 2 393.535 3.828 20 30 GHEDLO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)Cc1cc(-c2ccccc2)n[nH]1 ZINC001198534368 874465975 /nfs/dbraw/zinc/46/59/75/874465975.db2.gz VWZCVVYBBBBRQB-FRIYVGAWSA-N 1 2 393.535 3.828 20 30 GHEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cccc(Br)c3F)C2)nc1 ZINC000449338086 874758236 /nfs/dbraw/zinc/75/82/36/874758236.db2.gz UMYPNLDFWGNJMQ-AWEZNQCLSA-N 1 2 376.229 3.508 20 30 GHEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cccc(Br)c3F)C2)nc1 ZINC000449338086 874758243 /nfs/dbraw/zinc/75/82/43/874758243.db2.gz UMYPNLDFWGNJMQ-AWEZNQCLSA-N 1 2 376.229 3.508 20 30 GHEDLO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000449669501 875217666 /nfs/dbraw/zinc/21/76/66/875217666.db2.gz VOICNCOHNKBLSG-LBPRGKRZSA-N 1 2 379.348 3.893 20 30 GHEDLO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000449669501 875217681 /nfs/dbraw/zinc/21/76/81/875217681.db2.gz VOICNCOHNKBLSG-LBPRGKRZSA-N 1 2 379.348 3.893 20 30 GHEDLO COCc1ccc(NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1C#N ZINC000529205916 875823684 /nfs/dbraw/zinc/82/36/84/875823684.db2.gz UIRNJDTULIMBJU-MRXNPFEDSA-N 1 2 393.491 3.649 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)CO[NH+]=C(N)Cc1ccccc1 ZINC000108351707 876457432 /nfs/dbraw/zinc/45/74/32/876457432.db2.gz LQTXVVMKVDDNGJ-OAHLLOKOSA-N 1 2 382.489 3.551 20 30 GHEDLO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2c(F)cncc2Br)c1 ZINC000850137559 876691435 /nfs/dbraw/zinc/69/14/35/876691435.db2.gz RGHKPWJAXAWHFK-ZDUSSCGKSA-N 1 2 378.245 3.954 20 30 GHEDLO C=CCc1ccccc1OC[C@@H](O)C[NH2+]C1(c2noc(C(C)C)n2)CCCC1 ZINC000174239172 876920577 /nfs/dbraw/zinc/92/05/77/876920577.db2.gz FSEREPZKJKPTCN-SFHVURJKSA-N 1 2 385.508 3.720 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@H+]2CCCC[C@@H]2[C@@H](O)C(F)(F)F)c1 ZINC000492584451 877128671 /nfs/dbraw/zinc/12/86/71/877128671.db2.gz VIBBXEOAZCPSBM-ZIAGYGMSSA-N 1 2 377.204 3.598 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCCC[C@@H]2[C@@H](O)C(F)(F)F)c1 ZINC000492584451 877128679 /nfs/dbraw/zinc/12/86/79/877128679.db2.gz VIBBXEOAZCPSBM-ZIAGYGMSSA-N 1 2 377.204 3.598 20 30 GHEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000451551782 878132214 /nfs/dbraw/zinc/13/22/14/878132214.db2.gz VHCAJBYLDOPCSB-WMZOPIPTSA-N 1 2 396.472 3.513 20 30 GHEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000451551782 878132223 /nfs/dbraw/zinc/13/22/23/878132223.db2.gz VHCAJBYLDOPCSB-WMZOPIPTSA-N 1 2 396.472 3.513 20 30 GHEDLO CC(C)(C)OC(=O)N1C[C@@H]([N@@H+]2Cc3cccc(C#N)c3C2)[C@@H](O)c2ccccc21 ZINC000852212664 878145825 /nfs/dbraw/zinc/14/58/25/878145825.db2.gz AECDHQGNAFXGCQ-RTWAWAEBSA-N 1 2 391.471 3.731 20 30 GHEDLO CC(C)(C)OC(=O)N1C[C@@H]([N@H+]2Cc3cccc(C#N)c3C2)[C@@H](O)c2ccccc21 ZINC000852212664 878145831 /nfs/dbraw/zinc/14/58/31/878145831.db2.gz AECDHQGNAFXGCQ-RTWAWAEBSA-N 1 2 391.471 3.731 20 30 GHEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CCC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000852327933 878243973 /nfs/dbraw/zinc/24/39/73/878243973.db2.gz WRSNUGCKBIDQLW-URXFXBBRSA-N 1 2 388.515 3.523 20 30 GHEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+](CCC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000852327933 878243988 /nfs/dbraw/zinc/24/39/88/878243988.db2.gz WRSNUGCKBIDQLW-URXFXBBRSA-N 1 2 388.515 3.523 20 30 GHEDLO C=C(CSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1)C(=O)OCC ZINC000788807380 878332861 /nfs/dbraw/zinc/33/28/61/878332861.db2.gz YGWDAILBAROYFI-CYBMUJFWSA-N 1 2 394.928 3.755 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)Nc2cccc(CC#N)c2)[C@@H](C)C1 ZINC000455911276 878365946 /nfs/dbraw/zinc/36/59/46/878365946.db2.gz VSQPVDHSLVNKNZ-SFHVURJKSA-N 1 2 392.503 3.890 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)Nc2cccc(CC#N)c2)[C@@H](C)C1 ZINC000455911276 878365981 /nfs/dbraw/zinc/36/59/81/878365981.db2.gz VSQPVDHSLVNKNZ-SFHVURJKSA-N 1 2 392.503 3.890 20 30 GHEDLO C=CCn1c(=S)n(C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)nc1-c1ccncc1 ZINC000853624655 879181031 /nfs/dbraw/zinc/18/10/31/879181031.db2.gz PQFQLQXMUNIJBN-OYRHEFFESA-N 1 2 397.548 3.512 20 30 GHEDLO C=CCn1c(=S)n(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)nc1-c1ccncc1 ZINC000853624655 879181041 /nfs/dbraw/zinc/18/10/41/879181041.db2.gz PQFQLQXMUNIJBN-OYRHEFFESA-N 1 2 397.548 3.512 20 30 GHEDLO CC(C)[N@@H+]1CC[C@H](NC(=O)c2sccc2C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000494139542 879944427 /nfs/dbraw/zinc/94/44/27/879944427.db2.gz DRYIJTCSRJTWNR-DLBZAZTESA-N 1 2 375.444 3.852 20 30 GHEDLO CC(C)[N@H+]1CC[C@H](NC(=O)c2sccc2C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000494139542 879944437 /nfs/dbraw/zinc/94/44/37/879944437.db2.gz DRYIJTCSRJTWNR-DLBZAZTESA-N 1 2 375.444 3.852 20 30 GHEDLO O=C(C#Cc1ccc(C(F)(F)F)cc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000790878257 880042142 /nfs/dbraw/zinc/04/21/42/880042142.db2.gz AZLNUKQEYXXFIY-UHFFFAOYSA-N 1 2 389.421 3.972 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000184467249 880310694 /nfs/dbraw/zinc/31/06/94/880310694.db2.gz VFWANFUCGXJRDP-KRWDZBQOSA-N 1 2 390.549 3.957 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000184467249 880310699 /nfs/dbraw/zinc/31/06/99/880310699.db2.gz VFWANFUCGXJRDP-KRWDZBQOSA-N 1 2 390.549 3.957 20 30 GHEDLO CC(C)OC(=O)C[C@H]1CCC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000184470439 880311387 /nfs/dbraw/zinc/31/13/87/880311387.db2.gz UPVZMNYOHMARDV-GOSISDBHSA-N 1 2 395.503 3.791 20 30 GHEDLO CC(C)OC(=O)C[C@H]1CCC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000184470439 880311399 /nfs/dbraw/zinc/31/13/99/880311399.db2.gz UPVZMNYOHMARDV-GOSISDBHSA-N 1 2 395.503 3.791 20 30 GHEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000791619854 880545411 /nfs/dbraw/zinc/54/54/11/880545411.db2.gz OJSQVSATXOODHP-PMACEKPBSA-N 1 2 390.314 3.909 20 30 GHEDLO Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccc3[nH+]ccn3c2)cc1C ZINC000609623232 883446422 /nfs/dbraw/zinc/44/64/22/883446422.db2.gz WSNLPBFNPQJKAR-UHFFFAOYSA-N 1 2 384.443 3.981 20 30 GHEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(C)(C)c3ccc(C#N)cc3)CC2)c1 ZINC000859199367 883655269 /nfs/dbraw/zinc/65/52/69/883655269.db2.gz OEAKUJCSGGROQH-SFHVURJKSA-N 1 2 391.515 3.750 20 30 GHEDLO C[N@H+](CC(=O)NC1(C#N)CCC1)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000551410843 883824512 /nfs/dbraw/zinc/82/45/12/883824512.db2.gz GJAUUAPULSDALS-UHFFFAOYSA-N 1 2 393.331 3.718 20 30 GHEDLO C[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000551410843 883824526 /nfs/dbraw/zinc/82/45/26/883824526.db2.gz GJAUUAPULSDALS-UHFFFAOYSA-N 1 2 393.331 3.718 20 30 GHEDLO Cc1cccc(C2(Nc3cc(/C=N/[S@](=O)C(C)(C)C)cc(C)[nH+]3)COC2)c1 ZINC001168471290 883958258 /nfs/dbraw/zinc/95/82/58/883958258.db2.gz VCPCGTTXPSJJOQ-XRGIRGSUSA-N 1 2 385.533 3.917 20 30 GHEDLO CC[C@H](c1ccccc1OC)[N@H+](C)Cc1nc2ccccc2c(=O)n1CC#N ZINC000805834162 884107015 /nfs/dbraw/zinc/10/70/15/884107015.db2.gz DPJLDFICPKWGRJ-LJQANCHMSA-N 1 2 376.460 3.512 20 30 GHEDLO CC[C@H](c1ccccc1OC)[N@@H+](C)Cc1nc2ccccc2c(=O)n1CC#N ZINC000805834162 884107025 /nfs/dbraw/zinc/10/70/25/884107025.db2.gz DPJLDFICPKWGRJ-LJQANCHMSA-N 1 2 376.460 3.512 20 30 GHEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@@H](O)Cc3ccc(C(F)(F)F)cc3)CCO2)c1 ZINC000761764514 884142291 /nfs/dbraw/zinc/14/22/91/884142291.db2.gz AYTUWYSGLAKTHR-VQTJNVASSA-N 1 2 390.405 3.554 20 30 GHEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@@H](O)Cc3ccc(C(F)(F)F)cc3)CCO2)c1 ZINC000761764514 884142295 /nfs/dbraw/zinc/14/22/95/884142295.db2.gz AYTUWYSGLAKTHR-VQTJNVASSA-N 1 2 390.405 3.554 20 30 GHEDLO COc1ccc(-c2csc(C(C#N)C(=O)C3CC[NH+](C4CC4)CC3)n2)cc1 ZINC000805864003 884157456 /nfs/dbraw/zinc/15/74/56/884157456.db2.gz DIHIXQCDFLNPAD-GOSISDBHSA-N 1 2 381.501 3.869 20 30 GHEDLO C#CCOc1cccc(-c2noc(-c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)n2)c1 ZINC000761780216 884261867 /nfs/dbraw/zinc/26/18/67/884261867.db2.gz ZYQSEVXZHFUTPP-UHFFFAOYSA-N 1 2 387.355 3.510 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(c2ccccn2)CC1 ZINC001183831037 912836089 /nfs/dbraw/zinc/83/60/89/912836089.db2.gz KYOYEQRLGGMRMR-HSZRJFAPSA-N 1 2 388.515 3.714 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(c2ccccn2)CC1 ZINC001183831037 912836107 /nfs/dbraw/zinc/83/61/07/912836107.db2.gz KYOYEQRLGGMRMR-HSZRJFAPSA-N 1 2 388.515 3.714 20 30 GHEDLO Cc1ccc(C#N)cc1NC(=O)N(Cc1ccccc1)[C@@H](C)C[NH+]1CCOCC1 ZINC000102954190 884653165 /nfs/dbraw/zinc/65/31/65/884653165.db2.gz HBTMUIVJZAHKPA-IBGZPJMESA-N 1 2 392.503 3.622 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000542543814 884864115 /nfs/dbraw/zinc/86/41/15/884864115.db2.gz IPUSBBTXMBLCNZ-RYRKJORJSA-N 1 2 389.565 3.748 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000542543814 884864131 /nfs/dbraw/zinc/86/41/31/884864131.db2.gz IPUSBBTXMBLCNZ-RYRKJORJSA-N 1 2 389.565 3.748 20 30 GHEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000666450227 885071377 /nfs/dbraw/zinc/07/13/77/885071377.db2.gz NBWFCTLFFUARBL-JTQLQIEISA-N 1 2 397.294 3.991 20 30 GHEDLO N#Cc1ccc(C[N@@H+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)C2CC2)cc1 ZINC000194956929 885994427 /nfs/dbraw/zinc/99/44/27/885994427.db2.gz JBLMMCRXOKHKAS-UHFFFAOYSA-N 1 2 388.496 3.945 20 30 GHEDLO N#Cc1ccc(C[N@H+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)C2CC2)cc1 ZINC000194956929 885994436 /nfs/dbraw/zinc/99/44/36/885994436.db2.gz JBLMMCRXOKHKAS-UHFFFAOYSA-N 1 2 388.496 3.945 20 30 GHEDLO CCN(C(=O)CO[NH+]=C(N)c1ccc(F)c(C)c1)[C@@H](C)c1ccc(F)cc1 ZINC000762708445 886743021 /nfs/dbraw/zinc/74/30/21/886743021.db2.gz BHCIQQUBQBSARM-AWEZNQCLSA-N 1 2 375.419 3.520 20 30 GHEDLO CC(=[NH+]Nc1ccnc(C(F)(F)F)c1)c1c(F)cccc1N1CCOCC1 ZINC000863180513 886907029 /nfs/dbraw/zinc/90/70/29/886907029.db2.gz ARLXULCZZWKXTO-UHFFFAOYSA-N 1 2 382.361 3.912 20 30 GHEDLO C#C[C@H]([NH2+]Cc1ccc(O[C@H](C)C(=O)OC)cc1)c1ccc(Cl)cc1F ZINC000809699279 887680084 /nfs/dbraw/zinc/68/00/84/887680084.db2.gz NEGPMDGWHWZNKY-YJYMSZOUSA-N 1 2 375.827 3.884 20 30 GHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC000866200470 888780403 /nfs/dbraw/zinc/78/04/03/888780403.db2.gz WKQZXLFBSOPTQZ-UHFFFAOYSA-N 1 2 387.487 3.813 20 30 GHEDLO COC(=O)c1ccc(C[N@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)cc1 ZINC000125172805 889898516 /nfs/dbraw/zinc/89/85/16/889898516.db2.gz VJLVSVAKGZGZIC-UHFFFAOYSA-N 1 2 389.455 3.656 20 30 GHEDLO COC(=O)c1ccc(C[N@@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)cc1 ZINC000125172805 889898525 /nfs/dbraw/zinc/89/85/25/889898525.db2.gz VJLVSVAKGZGZIC-UHFFFAOYSA-N 1 2 389.455 3.656 20 30 GHEDLO C=C[C@H](CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)c1ccccc1 ZINC000126158790 890388587 /nfs/dbraw/zinc/38/85/87/890388587.db2.gz DQCWXCZHYPBQIS-LJQANCHMSA-N 1 2 378.520 3.917 20 30 GHEDLO CC(C)OC1CC[NH+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000533475552 890646201 /nfs/dbraw/zinc/64/62/01/890646201.db2.gz ITIBRKZXKUFWJF-MRXNPFEDSA-N 1 2 375.538 3.909 20 30 GHEDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000533483628 890695066 /nfs/dbraw/zinc/69/50/66/890695066.db2.gz XVSNJUQXNSDCHU-CQSZACIVSA-N 1 2 391.899 3.594 20 30 GHEDLO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000533483628 890695073 /nfs/dbraw/zinc/69/50/73/890695073.db2.gz XVSNJUQXNSDCHU-CQSZACIVSA-N 1 2 391.899 3.594 20 30 GHEDLO Cc1ccc(-c2noc([C@@H](C)N3CC[NH+](Cc4cccc(C#N)c4)CC3)n2)cc1 ZINC000106052470 891241265 /nfs/dbraw/zinc/24/12/65/891241265.db2.gz XLVOYBPSBYMOBP-GOSISDBHSA-N 1 2 387.487 3.796 20 30 GHEDLO N#C[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1cccc(Br)c1 ZINC000127708529 891700655 /nfs/dbraw/zinc/70/06/55/891700655.db2.gz JMAPSIXYPWRXGO-SFHVURJKSA-N 1 2 395.260 3.689 20 30 GHEDLO C=CCn1c(-c2cccc(OC)c2)nn(C[N@H+](C)CC2CCOCC2)c1=S ZINC000124700600 891852007 /nfs/dbraw/zinc/85/20/07/891852007.db2.gz XVKJJUPGWZZIEZ-UHFFFAOYSA-N 1 2 388.537 3.592 20 30 GHEDLO C=CCn1c(-c2cccc(OC)c2)nn(C[N@@H+](C)CC2CCOCC2)c1=S ZINC000124700600 891852022 /nfs/dbraw/zinc/85/20/22/891852022.db2.gz XVKJJUPGWZZIEZ-UHFFFAOYSA-N 1 2 388.537 3.592 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+](C[C@@H]2CCOC2)C2CC2)c1=S ZINC000917451459 892018938 /nfs/dbraw/zinc/01/89/38/892018938.db2.gz VWRSJBPYHQWBDL-HNNXBMFYSA-N 1 2 388.512 3.865 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+](C[C@@H]2CCOC2)C2CC2)c1=S ZINC000917451459 892018955 /nfs/dbraw/zinc/01/89/55/892018955.db2.gz VWRSJBPYHQWBDL-HNNXBMFYSA-N 1 2 388.512 3.865 20 30 GHEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)N[C@@](CC)(c2ccccc2)C1=O ZINC000917457955 892029013 /nfs/dbraw/zinc/02/90/13/892029013.db2.gz OPODSVPNQDEFMK-QHCPKHFHSA-N 1 2 390.487 3.585 20 30 GHEDLO CCC[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)N[C@@](CC)(c2ccccc2)C1=O ZINC000917457955 892029033 /nfs/dbraw/zinc/02/90/33/892029033.db2.gz OPODSVPNQDEFMK-QHCPKHFHSA-N 1 2 390.487 3.585 20 30 GHEDLO COC(=O)c1cccc(C[N@H+](C)Cc2ccc(OC(F)(F)F)cc2)c1C#N ZINC000533776122 892938136 /nfs/dbraw/zinc/93/81/36/892938136.db2.gz PWADOKJSOONFNB-UHFFFAOYSA-N 1 2 378.350 3.875 20 30 GHEDLO COC(=O)c1cccc(C[N@@H+](C)Cc2ccc(OC(F)(F)F)cc2)c1C#N ZINC000533776122 892938145 /nfs/dbraw/zinc/93/81/45/892938145.db2.gz PWADOKJSOONFNB-UHFFFAOYSA-N 1 2 378.350 3.875 20 30 GHEDLO O=C(Nc1ccccc1)[C@@H](c1ccccc1)[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933653403 893118354 /nfs/dbraw/zinc/11/83/54/893118354.db2.gz FCSAMILILISIDV-OAQYLSRUSA-N 1 2 376.456 3.704 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(-c4ccccn4)cc3)CC2)cc1 ZINC000563296020 893581125 /nfs/dbraw/zinc/58/11/25/893581125.db2.gz FWHGVWWHKXFSDZ-UHFFFAOYSA-N 1 2 397.482 3.970 20 30 GHEDLO CCOc1cc(C[N@H+](C[C@@H](C)C#N)C2CC2)ccc1OCC(=O)N1CCCCC1 ZINC000536709339 893615519 /nfs/dbraw/zinc/61/55/19/893615519.db2.gz BKHKHOMGKYYZNC-SFHVURJKSA-N 1 2 399.535 3.601 20 30 GHEDLO CCOc1cc(C[N@@H+](C[C@@H](C)C#N)C2CC2)ccc1OCC(=O)N1CCCCC1 ZINC000536709339 893615529 /nfs/dbraw/zinc/61/55/29/893615529.db2.gz BKHKHOMGKYYZNC-SFHVURJKSA-N 1 2 399.535 3.601 20 30 GHEDLO CC(C)(C)c1nnc(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)[nH]1 ZINC000459679232 894057439 /nfs/dbraw/zinc/05/74/39/894057439.db2.gz PJUKDRPGHIBYFQ-UHFFFAOYSA-N 1 2 375.476 3.843 20 30 GHEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000815716180 894153181 /nfs/dbraw/zinc/15/31/81/894153181.db2.gz KVKVTBSYYLHOQS-UHFFFAOYSA-N 1 2 377.460 3.883 20 30 GHEDLO Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000815716180 894153187 /nfs/dbraw/zinc/15/31/87/894153187.db2.gz KVKVTBSYYLHOQS-UHFFFAOYSA-N 1 2 377.460 3.883 20 30 GHEDLO N#CC1(CC(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)CCCCC1 ZINC001135386042 894512557 /nfs/dbraw/zinc/51/25/57/894512557.db2.gz XGCVFATYRPWOFU-UHFFFAOYSA-N 1 2 389.927 3.727 20 30 GHEDLO CC(C)(CC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC001135508837 894736598 /nfs/dbraw/zinc/73/65/98/894736598.db2.gz CDUHRNDRZSZVLL-UHFFFAOYSA-N 1 2 379.479 3.709 20 30 GHEDLO COCc1ccccc1/C=C(\C)C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000816569322 894950103 /nfs/dbraw/zinc/95/01/03/894950103.db2.gz HVLPFHMDFWZMFS-NYBTZLGPSA-N 1 2 385.508 3.585 20 30 GHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)c1C ZINC000880059886 895484744 /nfs/dbraw/zinc/48/47/44/895484744.db2.gz LJSQPVWCYMVWIB-YJBOKZPZSA-N 1 2 397.441 3.592 20 30 GHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)c1C ZINC000880059886 895484750 /nfs/dbraw/zinc/48/47/50/895484750.db2.gz LJSQPVWCYMVWIB-YJBOKZPZSA-N 1 2 397.441 3.592 20 30 GHEDLO N#Cc1ccc(CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)s1 ZINC000565475219 895661928 /nfs/dbraw/zinc/66/19/28/895661928.db2.gz YPSICYUVUCJDEO-OALUTQOASA-N 1 2 377.473 3.544 20 30 GHEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1ccn(-c2c(F)cccc2F)n1 ZINC000566554197 896375158 /nfs/dbraw/zinc/37/51/58/896375158.db2.gz PMRUFMMQSUHJKG-UHFFFAOYSA-N 1 2 382.414 3.671 20 30 GHEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1ccn(-c2c(F)cccc2F)n1 ZINC000566554197 896375175 /nfs/dbraw/zinc/37/51/75/896375175.db2.gz PMRUFMMQSUHJKG-UHFFFAOYSA-N 1 2 382.414 3.671 20 30 GHEDLO N#CCCCn1cc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)c2ccccc21 ZINC000567341073 897077076 /nfs/dbraw/zinc/07/70/76/897077076.db2.gz PXKUMCWWHQNZHF-OXJNMPFZSA-N 1 2 391.475 3.921 20 30 GHEDLO N#CCCCn1cc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)c2ccccc21 ZINC000567341073 897077085 /nfs/dbraw/zinc/07/70/85/897077085.db2.gz PXKUMCWWHQNZHF-OXJNMPFZSA-N 1 2 391.475 3.921 20 30 GHEDLO CC(C)(C)OC(=O)NCc1nc2c(s1)CC[N@@H+]([C@@H]1CCC[C@@H](C#N)C1)C2 ZINC000883280835 897440356 /nfs/dbraw/zinc/44/03/56/897440356.db2.gz OVPAIXNADHKYFR-ZIAGYGMSSA-N 1 2 376.526 3.608 20 30 GHEDLO CC(C)(C)OC(=O)NCc1nc2c(s1)CC[N@H+]([C@@H]1CCC[C@@H](C#N)C1)C2 ZINC000883280835 897440368 /nfs/dbraw/zinc/44/03/68/897440368.db2.gz OVPAIXNADHKYFR-ZIAGYGMSSA-N 1 2 376.526 3.608 20 30 GHEDLO C=CCOc1ccc(-c2nn(C[N@H+]3CCC[C@@H]3C[C@@H](C)O)c(=S)o2)cc1 ZINC000155375537 898700633 /nfs/dbraw/zinc/70/06/33/898700633.db2.gz VLJDNTICBJOPIN-GDBMZVCRSA-N 1 2 375.494 3.630 20 30 GHEDLO C=CCOc1ccc(-c2nn(C[N@@H+]3CCC[C@@H]3C[C@@H](C)O)c(=S)o2)cc1 ZINC000155375537 898700639 /nfs/dbraw/zinc/70/06/39/898700639.db2.gz VLJDNTICBJOPIN-GDBMZVCRSA-N 1 2 375.494 3.630 20 30 GHEDLO C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc2nc(-c3ccccc3)[nH]c2c1 ZINC001171072366 899895457 /nfs/dbraw/zinc/89/54/57/899895457.db2.gz LGBUAVJBVITFSE-SFHVURJKSA-N 1 2 378.476 3.869 20 30 GHEDLO C[N@@H+]1CCc2nc(NC(=O)c3cccc(Nc4ccc(C#N)cc4)c3)sc2C1 ZINC000156734821 899983453 /nfs/dbraw/zinc/98/34/53/899983453.db2.gz APFOOSWKKMFSOT-UHFFFAOYSA-N 1 2 389.484 3.999 20 30 GHEDLO C[N@H+]1CCc2nc(NC(=O)c3cccc(Nc4ccc(C#N)cc4)c3)sc2C1 ZINC000156734821 899983459 /nfs/dbraw/zinc/98/34/59/899983459.db2.gz APFOOSWKKMFSOT-UHFFFAOYSA-N 1 2 389.484 3.999 20 30 GHEDLO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](Cc3c(Cl)cccc3C#N)C[C@@H]12 ZINC001143723280 900442714 /nfs/dbraw/zinc/44/27/14/900442714.db2.gz OYBKETHAPAUMDE-PKTZIBPZSA-N 1 2 393.918 3.976 20 30 GHEDLO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3c(Cl)cccc3C#N)C[C@@H]12 ZINC001143723280 900442718 /nfs/dbraw/zinc/44/27/18/900442718.db2.gz OYBKETHAPAUMDE-PKTZIBPZSA-N 1 2 393.918 3.976 20 30 GHEDLO N#C[C@@H](NC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC001186307365 914459640 /nfs/dbraw/zinc/45/96/40/914459640.db2.gz XTMYFPBRKTYCSJ-DNQXCXABSA-N 1 2 381.479 3.995 20 30 GHEDLO N#C[C@@H](NC(=O)[C@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1)c1ccccc1 ZINC001186307365 914459645 /nfs/dbraw/zinc/45/96/45/914459645.db2.gz XTMYFPBRKTYCSJ-DNQXCXABSA-N 1 2 381.479 3.995 20 30 GHEDLO C[C@H]1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000282943673 900637834 /nfs/dbraw/zinc/63/78/34/900637834.db2.gz HBRHXFKJYQIWOR-WFASDCNBSA-N 1 2 393.369 3.768 20 30 GHEDLO COc1nsc(C[NH2+]Cc2ccc(SC)c(C#N)c2)c1Br ZINC000886277538 900912858 /nfs/dbraw/zinc/91/28/58/900912858.db2.gz UTVCACZKHSJOHF-UHFFFAOYSA-N 1 2 384.324 3.798 20 30 GHEDLO COc1cccc(C[C@@H]2CN(CC3(CC#N)CC3)CC[N@@H+]2CC2(CC#N)CC2)c1 ZINC000886386700 900972999 /nfs/dbraw/zinc/97/29/99/900972999.db2.gz DAYBTYVGMLEDME-OAQYLSRUSA-N 1 2 392.547 3.612 20 30 GHEDLO COc1cccc(C[C@@H]2CN(CC3(CC#N)CC3)CC[N@H+]2CC2(CC#N)CC2)c1 ZINC000886386700 900973009 /nfs/dbraw/zinc/97/30/09/900973009.db2.gz DAYBTYVGMLEDME-OAQYLSRUSA-N 1 2 392.547 3.612 20 30 GHEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3csc(Cc4ccccc4)n3)C2)nc1 ZINC000575856824 901394317 /nfs/dbraw/zinc/39/43/17/901394317.db2.gz FPWKKZDQICMOQZ-IBGZPJMESA-N 1 2 376.485 3.654 20 30 GHEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3csc(Cc4ccccc4)n3)C2)nc1 ZINC000575856824 901394326 /nfs/dbraw/zinc/39/43/26/901394326.db2.gz FPWKKZDQICMOQZ-IBGZPJMESA-N 1 2 376.485 3.654 20 30 GHEDLO N#Cc1cc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1OC(F)(F)F ZINC000282972313 901416583 /nfs/dbraw/zinc/41/65/83/901416583.db2.gz JJYABJUGOLSZJC-LLVKDONJSA-N 1 2 379.342 3.591 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N(CCC#N)Cc2ccco2)C[C@H](C)O1 ZINC000122112471 901727596 /nfs/dbraw/zinc/72/75/96/901727596.db2.gz RBUABLIKHZTSIR-HDICACEKSA-N 1 2 396.491 3.837 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N(CCC#N)Cc2ccco2)C[C@H](C)O1 ZINC000122112471 901727613 /nfs/dbraw/zinc/72/76/13/901727613.db2.gz RBUABLIKHZTSIR-HDICACEKSA-N 1 2 396.491 3.837 20 30 GHEDLO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000333297053 901983009 /nfs/dbraw/zinc/98/30/09/901983009.db2.gz LHZLXAKWUTUJIZ-VXKWHMMOSA-N 1 2 399.498 3.777 20 30 GHEDLO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000333297053 901983019 /nfs/dbraw/zinc/98/30/19/901983019.db2.gz LHZLXAKWUTUJIZ-VXKWHMMOSA-N 1 2 399.498 3.777 20 30 GHEDLO C=C(Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(Br)cc2)C1 ZINC001144405570 902063969 /nfs/dbraw/zinc/06/39/69/902063969.db2.gz WXWYPXOUXCUJNN-FQEVSTJZSA-N 1 2 399.332 3.939 20 30 GHEDLO C=C(Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](Cc2ccc(Br)cc2)C1 ZINC001144405570 902063983 /nfs/dbraw/zinc/06/39/83/902063983.db2.gz WXWYPXOUXCUJNN-FQEVSTJZSA-N 1 2 399.332 3.939 20 30 GHEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N(C)Cc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000047569803 902156876 /nfs/dbraw/zinc/15/68/76/902156876.db2.gz RCNYEQQMCRPGOD-QZTJIDSGSA-N 1 2 392.503 3.831 20 30 GHEDLO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCn2c(COc3cccnc3)cnc2[C@H]1C ZINC001171215961 902720722 /nfs/dbraw/zinc/72/07/22/902720722.db2.gz FEZRYKFBNWXRCC-ZWKOTPCHSA-N 1 2 387.487 3.737 20 30 GHEDLO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCn2c(COc3cccnc3)cnc2[C@H]1C ZINC001171215961 902720734 /nfs/dbraw/zinc/72/07/34/902720734.db2.gz FEZRYKFBNWXRCC-ZWKOTPCHSA-N 1 2 387.487 3.737 20 30 GHEDLO CCOC(C[N@H+](CC)CC(=O)Nc1sc2c(c1C#N)CCCCC2)OCC ZINC000846974700 903335491 /nfs/dbraw/zinc/33/54/91/903335491.db2.gz ODBKYWDCQSCECR-UHFFFAOYSA-N 1 2 393.553 3.548 20 30 GHEDLO CCOC(C[N@@H+](CC)CC(=O)Nc1sc2c(c1C#N)CCCCC2)OCC ZINC000846974700 903335499 /nfs/dbraw/zinc/33/54/99/903335499.db2.gz ODBKYWDCQSCECR-UHFFFAOYSA-N 1 2 393.553 3.548 20 30 GHEDLO CC[C@H](CC#N)[NH2+]CC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC000578450850 903855627 /nfs/dbraw/zinc/85/56/27/903855627.db2.gz NDWQLVHEDABIQM-KNQAVFIVSA-N 1 2 390.487 3.655 20 30 GHEDLO Cc1ccnc([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)C2)c1 ZINC000578905048 904216281 /nfs/dbraw/zinc/21/62/81/904216281.db2.gz ZGVIXJJQUHIBOP-CABCVRRESA-N 1 2 380.517 3.628 20 30 GHEDLO Cc1ccnc([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)C2)c1 ZINC000578905048 904216292 /nfs/dbraw/zinc/21/62/92/904216292.db2.gz ZGVIXJJQUHIBOP-CABCVRRESA-N 1 2 380.517 3.628 20 30 GHEDLO CC[NH+]1CCN(c2ccc(C(O)=C(C#N)c3nc4ccccc4s3)cc2)CC1 ZINC000777297084 905616280 /nfs/dbraw/zinc/61/62/80/905616280.db2.gz USDAXDXTXWYLKZ-SFHVURJKSA-N 1 2 390.512 3.928 20 30 GHEDLO CC[NH+]1CCN(c2ccc(C(=O)[C@H](C#N)c3nc4ccccc4s3)cc2)CC1 ZINC000777297084 905616292 /nfs/dbraw/zinc/61/62/92/905616292.db2.gz USDAXDXTXWYLKZ-SFHVURJKSA-N 1 2 390.512 3.928 20 30 GHEDLO C[C@@H]1c2ncc(COCC3CCOCC3)n2CC[N@@H+]1C1CCC(CC#N)CC1 ZINC001173332746 906375778 /nfs/dbraw/zinc/37/57/78/906375778.db2.gz FIMKVWXNODKSAS-PGYGNJIDSA-N 1 2 386.540 3.675 20 30 GHEDLO C[C@@H]1c2ncc(COCC3CCOCC3)n2CC[N@H+]1C1CCC(CC#N)CC1 ZINC001173332746 906375787 /nfs/dbraw/zinc/37/57/87/906375787.db2.gz FIMKVWXNODKSAS-PGYGNJIDSA-N 1 2 386.540 3.675 20 30 GHEDLO N#Cc1nc2ccc(Nc3ccc(OCC[NH+]4CCOCC4)cc3)cc2s1 ZINC001174432844 907022335 /nfs/dbraw/zinc/02/23/35/907022335.db2.gz ZVXROWDKYXIZIV-UHFFFAOYSA-N 1 2 380.473 3.623 20 30 GHEDLO CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3ccc(C#N)cc3F)c[nH+]2)CC1 ZINC001174454021 907059344 /nfs/dbraw/zinc/05/93/44/907059344.db2.gz YZRMRHJVRNEAIW-UHFFFAOYSA-N 1 2 397.454 3.893 20 30 GHEDLO COC(=O)[C@@]1(C)C[C@@H](OC)C[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC001175250152 907452678 /nfs/dbraw/zinc/45/26/78/907452678.db2.gz NZZMRIZBPNYSAR-FYYLOGMGSA-N 1 2 392.499 3.539 20 30 GHEDLO COC(=O)[C@@]1(C)C[C@@H](OC)C[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC001175250152 907452687 /nfs/dbraw/zinc/45/26/87/907452687.db2.gz NZZMRIZBPNYSAR-FYYLOGMGSA-N 1 2 392.499 3.539 20 30 GHEDLO Cc1cc(-c2noc([C@@H](C)[NH+]3CCN(c4ccc(C#N)cc4)CC3)n2)ccc1F ZINC001175443578 907558515 /nfs/dbraw/zinc/55/85/15/907558515.db2.gz FRFRGHWQKQHETA-MRXNPFEDSA-N 1 2 391.450 3.939 20 30 GHEDLO N#Cc1cc(NC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)ccc1N1CCCCC1 ZINC001176967364 908336354 /nfs/dbraw/zinc/33/63/54/908336354.db2.gz KPDZUYJSKBLQQJ-GOSISDBHSA-N 1 2 389.503 3.799 20 30 GHEDLO N#Cc1ccc(-c2ccccc2NC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)nc1 ZINC001176967696 908336717 /nfs/dbraw/zinc/33/67/17/908336717.db2.gz UKCZTKDRWMYSCB-SFHVURJKSA-N 1 2 383.455 3.870 20 30 GHEDLO C[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1nc(Cc2ccccc2)no1 ZINC000191599992 908648393 /nfs/dbraw/zinc/64/83/93/908648393.db2.gz STKVTJKCPFRKAS-KRWDZBQOSA-N 1 2 375.476 3.861 20 30 GHEDLO N#Cc1ccc(CO[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)c(F)c1 ZINC000194719931 908917362 /nfs/dbraw/zinc/91/73/62/908917362.db2.gz PSAOPROIXUXODS-UHFFFAOYSA-N 1 2 376.391 3.508 20 30 GHEDLO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C[C@H](C)O1 ZINC000194767987 908922517 /nfs/dbraw/zinc/92/25/17/908922517.db2.gz ZNZMPKBBTJPEQJ-HDICACEKSA-N 1 2 393.487 3.532 20 30 GHEDLO C[C@@H]1C[N@H+](CCN(C)C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C[C@H](C)O1 ZINC000194767987 908922528 /nfs/dbraw/zinc/92/25/28/908922528.db2.gz ZNZMPKBBTJPEQJ-HDICACEKSA-N 1 2 393.487 3.532 20 30 GHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1cc(C#N)ccc1OC ZINC000266484779 909189140 /nfs/dbraw/zinc/18/91/40/909189140.db2.gz WSQNSFLYFJQNTE-UHFFFAOYSA-N 1 2 393.491 3.732 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N(CCC#N)Cc3ccccn3)n2)C1 ZINC000267917856 909693087 /nfs/dbraw/zinc/69/30/87/909693087.db2.gz PNLGDZHDPMPKRG-MRXNPFEDSA-N 1 2 398.536 3.718 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N(CCC#N)Cc3ccccn3)n2)C1 ZINC000267917856 909693091 /nfs/dbraw/zinc/69/30/91/909693091.db2.gz PNLGDZHDPMPKRG-MRXNPFEDSA-N 1 2 398.536 3.718 20 30 GHEDLO CC(C)CCC1CC[NH+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000268455996 909888464 /nfs/dbraw/zinc/88/84/64/909888464.db2.gz NHKIHHRWTCANOX-SFHVURJKSA-N 1 2 380.492 3.660 20 30 GHEDLO N#CC(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C(=O)Cc2cc[nH+]c(N)c2)C1 ZINC001181254079 910630177 /nfs/dbraw/zinc/63/01/77/910630177.db2.gz GBXSFKHUYYJSLO-JOCHJYFZSA-N 1 2 396.494 3.565 20 30 GHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCS[C@@H](C)[C@@H]2C)c1C#N ZINC000303694647 915062675 /nfs/dbraw/zinc/06/26/75/915062675.db2.gz MYZQGYUUPZFWGI-ROUUACIJSA-N 1 2 396.560 3.789 20 30 GHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCS[C@@H](C)[C@@H]2C)c1C#N ZINC000303694647 915062692 /nfs/dbraw/zinc/06/26/92/915062692.db2.gz MYZQGYUUPZFWGI-ROUUACIJSA-N 1 2 396.560 3.789 20 30 GHEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cccc(Br)c1F ZINC001275631965 915470176 /nfs/dbraw/zinc/47/01/76/915470176.db2.gz UCGFHUVGZXDORY-SFHVURJKSA-N 1 2 381.289 3.731 20 30 GHEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(Br)c1F ZINC001275631965 915470181 /nfs/dbraw/zinc/47/01/81/915470181.db2.gz UCGFHUVGZXDORY-SFHVURJKSA-N 1 2 381.289 3.731 20 30 GHEDLO CC[N@@H+]1CC[C@@H](NC(=O)N2CCC(CC#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000543778925 916089454 /nfs/dbraw/zinc/08/94/54/916089454.db2.gz CQJZPQROWFCCLB-MOPGFXCFSA-N 1 2 392.906 3.950 20 30 GHEDLO CC[N@H+]1CC[C@@H](NC(=O)N2CCC(CC#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000543778925 916089464 /nfs/dbraw/zinc/08/94/64/916089464.db2.gz CQJZPQROWFCCLB-MOPGFXCFSA-N 1 2 392.906 3.950 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc(Cl)ccc1Cl)C2 ZINC001275728171 916457493 /nfs/dbraw/zinc/45/74/93/916457493.db2.gz UCFXPJUAMMQNTB-IBGZPJMESA-N 1 2 383.319 3.620 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cc(Cl)ccc1Cl)C2 ZINC001275728171 916457497 /nfs/dbraw/zinc/45/74/97/916457497.db2.gz UCFXPJUAMMQNTB-IBGZPJMESA-N 1 2 383.319 3.620 20 30 GHEDLO C=C(C)Cc1ccc(C(=O)N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)cc1 ZINC001190215864 917201252 /nfs/dbraw/zinc/20/12/52/917201252.db2.gz CXUXPLWAOVWKMK-FQEVSTJZSA-N 1 2 379.504 3.701 20 30 GHEDLO COc1ccccc1Cn1c[nH+]cc1CNC(=O)c1cccc(C(C)(C)C#N)c1 ZINC001190957942 917665110 /nfs/dbraw/zinc/66/51/10/917665110.db2.gz ZWUPFMTXGBRIQO-UHFFFAOYSA-N 1 2 388.471 3.671 20 30 GHEDLO CCc1ccc(O[C@H](C)C(=O)N2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC001190995222 917724784 /nfs/dbraw/zinc/72/47/84/917724784.db2.gz MEWGPZOLMJZHFS-RTBURBONSA-N 1 2 391.515 3.793 20 30 GHEDLO CCCCCCCCCCCCNC(=O)N[C@@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001191860469 918240801 /nfs/dbraw/zinc/24/08/01/918240801.db2.gz DZFUDBZBTHDFMH-IBGZPJMESA-N 1 2 394.560 3.724 20 30 GHEDLO C=CCCn1cc(C[N@H+]2CCC[C@H]2Cc2ccccc2Br)nn1 ZINC000653768540 918479720 /nfs/dbraw/zinc/47/97/20/918479720.db2.gz LNKXVZFXOKQSEK-KRWDZBQOSA-N 1 2 375.314 3.824 20 30 GHEDLO C=CCCn1cc(C[N@@H+]2CCC[C@H]2Cc2ccccc2Br)nn1 ZINC000653768540 918479730 /nfs/dbraw/zinc/47/97/30/918479730.db2.gz LNKXVZFXOKQSEK-KRWDZBQOSA-N 1 2 375.314 3.824 20 30 GHEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2C/C(Br)=C/c1ccccc1 ZINC001276375819 919647039 /nfs/dbraw/zinc/64/70/39/919647039.db2.gz YNUZGPGZLADIQX-LVSKKATPSA-N 1 2 387.321 3.513 20 30 GHEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2C/C(Br)=C/c1ccccc1 ZINC001276375819 919647045 /nfs/dbraw/zinc/64/70/45/919647045.db2.gz YNUZGPGZLADIQX-LVSKKATPSA-N 1 2 387.321 3.513 20 30 GHEDLO C/C(=C/C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C[NH+]1CCOCC1 ZINC000900191776 919991212 /nfs/dbraw/zinc/99/12/12/919991212.db2.gz HZTOTXCSAGCTRG-BBXQBHCASA-N 1 2 375.472 3.559 20 30 GHEDLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000802806687 922422742 /nfs/dbraw/zinc/42/27/42/922422742.db2.gz XTTHVEZMAVXDJE-UHFFFAOYSA-N 1 2 375.403 3.967 20 30 GHEDLO N#Cc1ccc(CNC(=O)C[NH2+][C@H](c2cccc(Cl)c2)c2ccccn2)cc1 ZINC000370865206 924333306 /nfs/dbraw/zinc/33/33/06/924333306.db2.gz OMQHEFYQPBUVMR-JOCHJYFZSA-N 1 2 390.874 3.602 20 30 GHEDLO N#C[C@H](C(=O)C[NH+]1CCC2(CCCCC2)CC1)c1nc2ccccc2c(=O)[nH]1 ZINC000726598006 926752281 /nfs/dbraw/zinc/75/22/81/926752281.db2.gz MAYZQCUIEYXLSE-QGZVFWFLSA-N 1 2 378.476 3.558 20 30 GHEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000374341826 927035229 /nfs/dbraw/zinc/03/52/29/927035229.db2.gz QPTKGXUESCKZKI-HXUWFJFHSA-N 1 2 386.455 3.500 20 30 GHEDLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1Cl ZINC000412048250 927046667 /nfs/dbraw/zinc/04/66/67/927046667.db2.gz WDBKPSBQTBAPCO-GFCCVEGCSA-N 1 2 375.856 3.889 20 30 GHEDLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1Cl ZINC000412048250 927046678 /nfs/dbraw/zinc/04/66/78/927046678.db2.gz WDBKPSBQTBAPCO-GFCCVEGCSA-N 1 2 375.856 3.889 20 30 GHEDLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1Cl ZINC000412048251 927047132 /nfs/dbraw/zinc/04/71/32/927047132.db2.gz WDBKPSBQTBAPCO-LBPRGKRZSA-N 1 2 375.856 3.889 20 30 GHEDLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1Cl ZINC000412048251 927047140 /nfs/dbraw/zinc/04/71/40/927047140.db2.gz WDBKPSBQTBAPCO-LBPRGKRZSA-N 1 2 375.856 3.889 20 30 GHEDLO CCC(C)(C)NC(=O)[C@@H](C)O[NH+]=C(N)c1ccc(OCc2ccccc2)cc1 ZINC000749789846 927272356 /nfs/dbraw/zinc/27/23/56/927272356.db2.gz ACSFJKKFGDNYIT-MRXNPFEDSA-N 1 2 383.492 3.596 20 30 GHEDLO C=CCC[C@@H](NC(=O)NCC[N@@H+]1CCO[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000750292134 927539086 /nfs/dbraw/zinc/53/90/86/927539086.db2.gz QMSRSNWVSGTPFR-CRAIPNDOSA-N 1 2 399.457 3.733 20 30 GHEDLO C=CCC[C@@H](NC(=O)NCC[N@H+]1CCO[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000750292134 927539109 /nfs/dbraw/zinc/53/91/09/927539109.db2.gz QMSRSNWVSGTPFR-CRAIPNDOSA-N 1 2 399.457 3.733 20 30 GHEDLO C[C@H]1C[N@H+](Cc2ccccc2)CC1N=Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000751525539 928235568 /nfs/dbraw/zinc/23/55/68/928235568.db2.gz HLJPTSFZRYLTSY-AWEZNQCLSA-N 1 2 393.459 3.603 20 30 GHEDLO C[C@H]1C[N@@H+](Cc2ccccc2)CC1N=Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000751525539 928235580 /nfs/dbraw/zinc/23/55/80/928235580.db2.gz HLJPTSFZRYLTSY-AWEZNQCLSA-N 1 2 393.459 3.603 20 30 GHEDLO CC(=[NH+]Nc1cncc(Br)c1)c1ccc(N2CCCC2)cc1O ZINC000758122104 929932493 /nfs/dbraw/zinc/93/24/93/929932493.db2.gz DYWHWGUNBQKCRH-UHFFFAOYSA-N 1 2 375.270 3.986 20 30 GHEDLO N#Cc1cccc(N2CC[NH+](Cc3ccc(OC(F)F)c(Cl)c3)CC2)n1 ZINC000546259978 930000807 /nfs/dbraw/zinc/00/08/07/930000807.db2.gz SIGHIDJNQZSBAY-UHFFFAOYSA-N 1 2 378.810 3.530 20 30 GHEDLO CC(C)OC[C@@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CCO1 ZINC000546735945 930391712 /nfs/dbraw/zinc/39/17/12/930391712.db2.gz KTWDZGOUPKNAKY-QHCPKHFHSA-N 1 2 380.488 3.763 20 30 GHEDLO CC(C)OC[C@@H]1C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CCO1 ZINC000546735945 930391721 /nfs/dbraw/zinc/39/17/21/930391721.db2.gz KTWDZGOUPKNAKY-QHCPKHFHSA-N 1 2 380.488 3.763 20 30 GHEDLO CCCC[C@H](ON=C(C)C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000780982200 930661228 /nfs/dbraw/zinc/66/12/28/930661228.db2.gz ZVVSOLBRECPNGI-FHWLQOOXSA-N 1 2 381.467 3.797 20 30 GHEDLO CCCC[C@H](ON=C(C)C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000780982200 930661232 /nfs/dbraw/zinc/66/12/32/930661232.db2.gz ZVVSOLBRECPNGI-FHWLQOOXSA-N 1 2 381.467 3.797 20 30 GHEDLO Cc1noc(C2(C)CC[NH+](CC(=O)/C=C3\N(C)c4ccccc4C3(C)C)CC2)n1 ZINC000781350580 930806932 /nfs/dbraw/zinc/80/69/32/930806932.db2.gz OQWVUONCTYLNFU-ZHZULCJRSA-N 1 2 394.519 3.612 20 30 GHEDLO N#CCCCN1C(=O)CCc2cc(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)ccc21 ZINC000470848131 930968584 /nfs/dbraw/zinc/96/85/84/930968584.db2.gz QPCZREBBPWGNLG-UHFFFAOYSA-N 1 2 399.454 3.708 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccccc1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000470909619 931023288 /nfs/dbraw/zinc/02/32/88/931023288.db2.gz TYJNINPLPWZWHW-UHFFFAOYSA-N 1 2 379.460 3.931 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccccc1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000470909619 931023293 /nfs/dbraw/zinc/02/32/93/931023293.db2.gz TYJNINPLPWZWHW-UHFFFAOYSA-N 1 2 379.460 3.931 20 30 GHEDLO CC(C)(C)n1ncc2c1nc[nH+]c2NC1CCC(Oc2ncccc2C#N)CC1 ZINC000782428973 931215776 /nfs/dbraw/zinc/21/57/76/931215776.db2.gz QKHAGDUGXWWWRZ-UHFFFAOYSA-N 1 2 391.479 3.650 20 30 GHEDLO C[NH+](C)[C@H](CNc1nc2cc(Cl)ccn2c1C#N)c1c(F)cccc1F ZINC000557600034 931566624 /nfs/dbraw/zinc/56/66/24/931566624.db2.gz QYCLXLPKLCJBRT-OAHLLOKOSA-N 1 2 375.810 3.852 20 30 GHEDLO CCOC(=O)COc1cccc(C(=O)/C=C\c2cc(-n3cc[nH+]c3)cs2)c1 ZINC000783707929 931624577 /nfs/dbraw/zinc/62/45/77/931624577.db2.gz UKVKAEJZWDGUPX-SREVYHEPSA-N 1 2 382.441 3.772 20 30 GHEDLO Cc1cccc(CCCOCCOC(=O)C(C)(C)c2cc(F)cc(C#N)c2)[nH+]1 ZINC000797027227 932151946 /nfs/dbraw/zinc/15/19/46/932151946.db2.gz RXFCUISFKPGWTB-UHFFFAOYSA-N 1 2 384.451 3.871 20 30 GHEDLO CC[C@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1cccc(C#N)c1O ZINC000926559227 932228218 /nfs/dbraw/zinc/22/82/18/932228218.db2.gz LEBVKDQKGFDDDZ-IBGZPJMESA-N 1 2 387.430 3.620 20 30 GHEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC(C)=C(Br)C2)c(OC)c1 ZINC000797528950 932321054 /nfs/dbraw/zinc/32/10/54/932321054.db2.gz BHVAVQDSEQADAC-MRXNPFEDSA-N 1 2 396.325 3.538 20 30 GHEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC(C)=C(Br)C2)c(OC)c1 ZINC000797528950 932321061 /nfs/dbraw/zinc/32/10/61/932321061.db2.gz BHVAVQDSEQADAC-MRXNPFEDSA-N 1 2 396.325 3.538 20 30 GHEDLO COc1cc(OC)c2ncc(C#N)c(NCc3ccc(-n4cc[nH+]c4)cc3)c2c1 ZINC000798216149 932566495 /nfs/dbraw/zinc/56/64/95/932566495.db2.gz HDFOCCAAZMHUPI-UHFFFAOYSA-N 1 2 385.427 3.921 20 30 GHEDLO C=CCn1c(SCCC[NH+]2CCN(C(C)C)CC2)nnc1-c1ccc(C)cc1 ZINC000559996547 933004792 /nfs/dbraw/zinc/00/47/92/933004792.db2.gz KETNOOCYXBDAQI-UHFFFAOYSA-N 1 2 399.608 3.948 20 30 GHEDLO NC(=[NH+]OCCO[C@H]1CCCCO1)c1ccc(COc2ccccc2F)cc1 ZINC000799584393 933050716 /nfs/dbraw/zinc/05/07/16/933050716.db2.gz YLGFGRHXXGTAOB-FQEVSTJZSA-N 1 2 388.439 3.585 20 30 GHEDLO C=CCCN(OCc1ccccc1)S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000799817669 933132248 /nfs/dbraw/zinc/13/22/48/933132248.db2.gz YDTCWTUSMLWOOP-UHFFFAOYSA-N 1 2 397.500 3.630 20 30 GHEDLO COc1cc2c(cc1F)C[N@H+](CC(=O)[C@@H](C#N)c1nc3ccccc3s1)CC2 ZINC000777743866 933221326 /nfs/dbraw/zinc/22/13/26/933221326.db2.gz FJWDHYGQSCFKGH-OAHLLOKOSA-N 1 2 395.459 3.679 20 30 GHEDLO COc1cc2c(cc1F)C[N@@H+](CC(=O)[C@@H](C#N)c1nc3ccccc3s1)CC2 ZINC000777743866 933221332 /nfs/dbraw/zinc/22/13/32/933221332.db2.gz FJWDHYGQSCFKGH-OAHLLOKOSA-N 1 2 395.459 3.679 20 30 GHEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2conc2Cc2ccccc2)CC1 ZINC000560449796 933264528 /nfs/dbraw/zinc/26/45/28/933264528.db2.gz UTAVMJHZKNXHPE-UHFFFAOYSA-N 1 2 376.435 3.598 20 30 GHEDLO C[C@@H](c1nnc(N(C)Cc2cc(C#N)cs2)n1C)[N@H+](C)Cc1ccccc1 ZINC001121418986 934652350 /nfs/dbraw/zinc/65/23/50/934652350.db2.gz KZSNEOMHZFRQGB-HNNXBMFYSA-N 1 2 380.521 3.578 20 30 GHEDLO C[C@@H](c1nnc(N(C)Cc2cc(C#N)cs2)n1C)[N@@H+](C)Cc1ccccc1 ZINC001121418986 934652354 /nfs/dbraw/zinc/65/23/54/934652354.db2.gz KZSNEOMHZFRQGB-HNNXBMFYSA-N 1 2 380.521 3.578 20 30 GHEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N(Cc1cccs1)C1CC1 ZINC001121593988 934710151 /nfs/dbraw/zinc/71/01/51/934710151.db2.gz KORXXWLYZAVSRU-HKUYNNGSSA-N 1 2 399.564 3.620 20 30 GHEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N(Cc1cccs1)C1CC1 ZINC001121593988 934710153 /nfs/dbraw/zinc/71/01/53/934710153.db2.gz KORXXWLYZAVSRU-HKUYNNGSSA-N 1 2 399.564 3.620 20 30 GHEDLO CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1Cc2cccc(C#N)c2C1 ZINC001121705896 934743801 /nfs/dbraw/zinc/74/38/01/934743801.db2.gz ARXJKNVDUZJTKX-QGZVFWFLSA-N 1 2 386.503 3.883 20 30 GHEDLO CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1Cc2cccc(C#N)c2C1 ZINC001121705896 934743803 /nfs/dbraw/zinc/74/38/03/934743803.db2.gz ARXJKNVDUZJTKX-QGZVFWFLSA-N 1 2 386.503 3.883 20 30 GHEDLO C[N@@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@H](CC#N)C2)n1Cc1ccccc1 ZINC001122080821 934816902 /nfs/dbraw/zinc/81/69/02/934816902.db2.gz IDKNZDNQNAFFEL-WOJBJXKFSA-N 1 2 378.524 3.613 20 30 GHEDLO C[N@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@H](CC#N)C2)n1Cc1ccccc1 ZINC001122080821 934816904 /nfs/dbraw/zinc/81/69/04/934816904.db2.gz IDKNZDNQNAFFEL-WOJBJXKFSA-N 1 2 378.524 3.613 20 30 GHEDLO C=CC[C@H]1CCCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CC(=C)C)C1 ZINC001122441871 934871002 /nfs/dbraw/zinc/87/10/02/934871002.db2.gz WOUQZPAZNBPBLI-IBGZPJMESA-N 1 2 382.556 3.740 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC[C@@H](C#N)C1 ZINC001122442187 934871056 /nfs/dbraw/zinc/87/10/56/934871056.db2.gz YUIKCECJPXFPBG-ICSRJNTNSA-N 1 2 378.524 3.787 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC[C@@H](C#N)C1 ZINC001122442187 934871068 /nfs/dbraw/zinc/87/10/68/934871068.db2.gz YUIKCECJPXFPBG-ICSRJNTNSA-N 1 2 378.524 3.787 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC001122530247 934891281 /nfs/dbraw/zinc/89/12/81/934891281.db2.gz ZJSJBPIEYGKIQQ-GRDNDAEWSA-N 1 2 384.355 3.641 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC001122530247 934891288 /nfs/dbraw/zinc/89/12/88/934891288.db2.gz ZJSJBPIEYGKIQQ-GRDNDAEWSA-N 1 2 384.355 3.641 20 30 GHEDLO CC(C)Cn1c(Nc2cnn(C3CCC3)c2)nnc1C1CC[NH+](CCC#N)CC1 ZINC001122741178 934968265 /nfs/dbraw/zinc/96/82/65/934968265.db2.gz ZLVHVKALVBDSCO-UHFFFAOYSA-N 1 2 396.543 3.692 20 30 GHEDLO C=CC[C@@H]1CCCN(c2nnc([C@@H]3CCCC[N@H+]3C)n2Cc2cc(C)on2)C1 ZINC001123858252 935311059 /nfs/dbraw/zinc/31/10/59/935311059.db2.gz YDAVFHWDIAQDEX-MJGOQNOKSA-N 1 2 384.528 3.572 20 30 GHEDLO C=CC[C@@H]1CCCN(c2nnc([C@@H]3CCCC[N@@H+]3C)n2Cc2cc(C)on2)C1 ZINC001123858252 935311066 /nfs/dbraw/zinc/31/10/66/935311066.db2.gz YDAVFHWDIAQDEX-MJGOQNOKSA-N 1 2 384.528 3.572 20 30 GHEDLO N#Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)c(Br)c1 ZINC001137632484 935648363 /nfs/dbraw/zinc/64/83/63/935648363.db2.gz CVWLUEAMAUMICU-UHFFFAOYSA-N 1 2 388.284 3.778 20 30 GHEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1ccc(-c2nn[nH]n2)c(OC)c1 ZINC001573340778 947522367 /nfs/dbraw/zinc/52/23/67/947522367.db2.gz AHPSYBSLLMMAFD-UHFFFAOYSA-N 1 2 375.885 3.778 20 30 GHEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1ccc(-c2nn[nH]n2)c(OC)c1 ZINC001573340778 947522373 /nfs/dbraw/zinc/52/23/73/947522373.db2.gz AHPSYBSLLMMAFD-UHFFFAOYSA-N 1 2 375.885 3.778 20 30 GHEDLO N#Cc1c[nH]c2cc[nH+]c(N3CCN(c4ccc(C(F)(F)F)cc4F)CC3)c12 ZINC001155190551 1032451157 /nfs/dbraw/zinc/45/11/57/1032451157.db2.gz DVQGWFYGGCEFJP-UHFFFAOYSA-N 1 2 389.356 3.919 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CCO[C@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001204367348 1032808890 /nfs/dbraw/zinc/80/88/90/1032808890.db2.gz IAOYCLLAPXWJHM-XZOQPEGZSA-N 1 2 377.488 3.541 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CCO[C@]2(CCC[C@H]2COCc2ccncc2)C1 ZINC001204367348 1032808916 /nfs/dbraw/zinc/80/89/16/1032808916.db2.gz IAOYCLLAPXWJHM-XZOQPEGZSA-N 1 2 377.488 3.541 20 30 GHEDLO Cc1ncsc1C[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000565767305 1019204823 /nfs/dbraw/zinc/20/48/23/1019204823.db2.gz NCNJLXRQJJVSBA-MRXNPFEDSA-N 1 2 391.338 3.597 20 30 GHEDLO C=CCC[C@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(Br)c1O ZINC000834905216 1021659218 /nfs/dbraw/zinc/65/92/18/1021659218.db2.gz UNOJIYMKKHPZKS-GXSJLCMTSA-N 1 2 393.119 3.895 20 30 GHEDLO CCC[NH+]1CCN(c2ccccc2C=[NH+]Nc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000835010404 1021766461 /nfs/dbraw/zinc/76/64/61/1021766461.db2.gz ZTGGWGWWSSLNIK-UHFFFAOYSA-N 1 2 384.455 3.502 20 30 GHEDLO CCOc1cc(C[NH+]2CCN(c3ccsc3C#N)CC2)ccc1OC(=O)CC ZINC000826894587 1021825935 /nfs/dbraw/zinc/82/59/35/1021825935.db2.gz RKWUSPHPLGHJJV-UHFFFAOYSA-N 1 2 399.516 3.656 20 30 GHEDLO C#CCC[NH+]1CCN(C(=O)CCCC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000753998552 1022414595 /nfs/dbraw/zinc/41/45/95/1022414595.db2.gz IRGDUYKFWGHCPF-UHFFFAOYSA-N 1 2 381.303 3.514 20 30 GHEDLO C#Cc1ccc(CNC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000836295856 1022835394 /nfs/dbraw/zinc/83/53/94/1022835394.db2.gz FYLSOHJYWDUIJR-QZTJIDSGSA-N 1 2 377.488 3.599 20 30 GHEDLO CN(C)c1cc(COC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc[nH+]1 ZINC000755884993 1023421381 /nfs/dbraw/zinc/42/13/81/1023421381.db2.gz LWMZJOQWQDWENB-UHFFFAOYSA-N 1 2 377.400 3.548 20 30 GHEDLO CC(C)(C)OC(=O)Nc1cnccc1C[NH+]1CCN(c2cccc(C#N)c2)CC1 ZINC001141087459 1023458928 /nfs/dbraw/zinc/45/89/28/1023458928.db2.gz BWLQFRBWGZZOSR-UHFFFAOYSA-N 1 2 393.491 3.622 20 30 GHEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001141164004 1023990993 /nfs/dbraw/zinc/99/09/93/1023990993.db2.gz YPCHWCVZZCHULF-IFMALSPDSA-N 1 2 381.451 3.542 20 30 GHEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001141164004 1023990997 /nfs/dbraw/zinc/99/09/97/1023990997.db2.gz YPCHWCVZZCHULF-IFMALSPDSA-N 1 2 381.451 3.542 20 30 GHEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831539514 1024630192 /nfs/dbraw/zinc/63/01/92/1024630192.db2.gz STSZQMQTEDIWKB-ICSRJNTNSA-N 1 2 379.416 3.560 20 30 GHEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831539514 1024630216 /nfs/dbraw/zinc/63/02/16/1024630216.db2.gz STSZQMQTEDIWKB-ICSRJNTNSA-N 1 2 379.416 3.560 20 30 GHEDLO N#Cc1cccc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1Br ZINC001229004184 1033225488 /nfs/dbraw/zinc/22/54/88/1033225488.db2.gz DGQSHYDGTCZQAZ-KRWDZBQOSA-N 1 2 387.277 3.601 20 30 GHEDLO N#Cc1cccc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1Br ZINC001229004184 1033225499 /nfs/dbraw/zinc/22/54/99/1033225499.db2.gz DGQSHYDGTCZQAZ-KRWDZBQOSA-N 1 2 387.277 3.601 20 30 GHEDLO C#CCOc1ccc(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)cc1OC ZINC001138341758 1024702071 /nfs/dbraw/zinc/70/20/71/1024702071.db2.gz VWEHWBCYXLYHAV-JXMROGBWSA-N 1 2 376.500 3.538 20 30 GHEDLO COC(=O)C1(C#N)CC[NH+](Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)CC1 ZINC000831695084 1024749845 /nfs/dbraw/zinc/74/98/45/1024749845.db2.gz LNTQBOCNMNPSDT-UHFFFAOYSA-N 1 2 382.460 3.504 20 30 GHEDLO C[N@@H+]1CCO[C@@H](CNc2nc3ccc(C(F)(F)F)cc3c(Cl)c2C#N)C1 ZINC001162684508 1025871953 /nfs/dbraw/zinc/87/19/53/1025871953.db2.gz ZYLPXMBYRGAOJA-NSHDSACASA-N 1 2 384.789 3.521 20 30 GHEDLO C[N@H+]1CCO[C@@H](CNc2nc3ccc(C(F)(F)F)cc3c(Cl)c2C#N)C1 ZINC001162684508 1025871974 /nfs/dbraw/zinc/87/19/74/1025871974.db2.gz ZYLPXMBYRGAOJA-NSHDSACASA-N 1 2 384.789 3.521 20 30 GHEDLO COC(=O)c1cc(OC)c(NC(=[NH2+])c2ccc(C(F)(F)F)cc2)cc1OC ZINC001163685804 1026283314 /nfs/dbraw/zinc/28/33/14/1026283314.db2.gz SQSOTTOJQNYTOA-UHFFFAOYSA-N 1 2 382.338 3.546 20 30 GHEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cccc(Br)c1F)C2 ZINC001139532690 1026390243 /nfs/dbraw/zinc/39/02/43/1026390243.db2.gz MBRMDYHQICYPHX-CRAIPNDOSA-N 1 2 384.289 3.914 20 30 GHEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cccc(Br)c1F)C2 ZINC001139532690 1026390254 /nfs/dbraw/zinc/39/02/54/1026390254.db2.gz MBRMDYHQICYPHX-CRAIPNDOSA-N 1 2 384.289 3.914 20 30 GHEDLO N#Cc1cc(F)cc(C[NH+]2CCN(c3cccc(OC(F)(F)F)c3)CC2)c1 ZINC001139879446 1026696356 /nfs/dbraw/zinc/69/63/56/1026696356.db2.gz LVIYKNPWDCLFNG-UHFFFAOYSA-N 1 2 379.357 3.918 20 30 GHEDLO C[Si](C)(C)C#Cc1cccnc1N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001165692222 1026798725 /nfs/dbraw/zinc/79/87/25/1026798725.db2.gz XHNRGNUSEIVLMJ-IBGZPJMESA-N 1 2 394.595 3.570 20 30 GHEDLO CC(C)COC[C@@H]1C[N@H+](Cc2c[nH]c3ccc(C#N)cc23)Cc2ncn(C)c21 ZINC001140112479 1026893761 /nfs/dbraw/zinc/89/37/61/1026893761.db2.gz MEBAIQHMJHPNEY-SFHVURJKSA-N 1 2 377.492 3.545 20 30 GHEDLO CC(C)COC[C@@H]1C[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)Cc2ncn(C)c21 ZINC001140112479 1026893766 /nfs/dbraw/zinc/89/37/66/1026893766.db2.gz MEBAIQHMJHPNEY-SFHVURJKSA-N 1 2 377.492 3.545 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(c3cccc(OC(F)(F)F)c3)CC2)c(F)c1 ZINC001140140232 1026913801 /nfs/dbraw/zinc/91/38/01/1026913801.db2.gz XLDFPZKLDGOOJE-UHFFFAOYSA-N 1 2 379.357 3.918 20 30 GHEDLO N#Cc1ccc(CN2CC[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)c(F)c1 ZINC001140140185 1026914190 /nfs/dbraw/zinc/91/41/90/1026914190.db2.gz WATWEZVNYHKHIZ-IBGZPJMESA-N 1 2 377.385 3.946 20 30 GHEDLO N#Cc1ccc(CN2CC[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)c(F)c1 ZINC001140140185 1026914196 /nfs/dbraw/zinc/91/41/96/1026914196.db2.gz WATWEZVNYHKHIZ-IBGZPJMESA-N 1 2 377.385 3.946 20 30 GHEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3ccc(Cl)c(OC)c3F)C2)CC1 ZINC001209699876 1027101834 /nfs/dbraw/zinc/10/18/34/1027101834.db2.gz VZXADAHBTMSGMS-UHFFFAOYSA-N 1 2 382.863 3.708 20 30 GHEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1cc(Br)cc(F)c1F)CC2 ZINC001141799017 1027313174 /nfs/dbraw/zinc/31/31/74/1027313174.db2.gz GUKXUOJUUQWLKE-UHFFFAOYSA-N 1 2 399.279 3.870 20 30 GHEDLO N#Cc1cc(Br)ccc1CN1CC[NH+](Cc2ccccc2F)CC1 ZINC001141813318 1027347164 /nfs/dbraw/zinc/34/71/64/1027347164.db2.gz ILMKXLXIASDGDW-UHFFFAOYSA-N 1 2 388.284 3.778 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1CCN(c2[nH+]cccc2Nc2ccc(F)cc2C#N)C1 ZINC001210550987 1027552890 /nfs/dbraw/zinc/55/28/90/1027552890.db2.gz MTIMFVVKAFUHLM-MRXNPFEDSA-N 1 2 397.454 3.939 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCc3c(c(COc4cccnc4)nn3CC3CC3)C2)cc1 ZINC001203903468 1027696972 /nfs/dbraw/zinc/69/69/72/1027696972.db2.gz VJDHEDPJLRKKML-UHFFFAOYSA-N 1 2 399.498 3.697 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCc3c(c(COc4cccnc4)nn3CC3CC3)C2)cc1 ZINC001203903468 1027696984 /nfs/dbraw/zinc/69/69/84/1027696984.db2.gz VJDHEDPJLRKKML-UHFFFAOYSA-N 1 2 399.498 3.697 20 30 GHEDLO CSc1nc(C[N@@H+]2C[C@@H](NC(=O)OC(C)(C)C)CC[C@H]2C)ccc1C#N ZINC001141941236 1027716178 /nfs/dbraw/zinc/71/61/78/1027716178.db2.gz AQWUBLDDDXTTHW-CJNGLKHVSA-N 1 2 376.526 3.553 20 30 GHEDLO CSc1nc(C[N@H+]2C[C@@H](NC(=O)OC(C)(C)C)CC[C@H]2C)ccc1C#N ZINC001141941236 1027716197 /nfs/dbraw/zinc/71/61/97/1027716197.db2.gz AQWUBLDDDXTTHW-CJNGLKHVSA-N 1 2 376.526 3.553 20 30 GHEDLO CC(C)(C)n1cc(C#N)cc1Nc1ccc(OCC[NH+]2CCOCC2)cc1F ZINC001213479985 1028211884 /nfs/dbraw/zinc/21/18/84/1028211884.db2.gz CQNFYUCPCCGFOM-UHFFFAOYSA-N 1 2 386.471 3.708 20 30 GHEDLO N#Cc1ccc(Nc2ccc(OCC[NH+]3CCOCC3)cc2F)c(F)c1Cl ZINC001213487151 1028220333 /nfs/dbraw/zinc/22/03/33/1028220333.db2.gz JPNJXRWJUUIPTN-UHFFFAOYSA-N 1 2 393.821 3.944 20 30 GHEDLO C[C@@H]1[C@@H](CNC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143164213 1029876508 /nfs/dbraw/zinc/87/65/08/1029876508.db2.gz BODXKGSYQWJPLR-UKRRQHHQSA-N 1 2 379.451 3.962 20 30 GHEDLO C[C@@H]1[C@@H](CNC(=O)OC(C)(C)C)CCC[N@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143164213 1029876515 /nfs/dbraw/zinc/87/65/15/1029876515.db2.gz BODXKGSYQWJPLR-UKRRQHHQSA-N 1 2 379.451 3.962 20 30 GHEDLO N#Cc1ccc(F)c(C[NH+]2CCC3(CCC(=O)N3Cc3ccccc3)CC2)c1F ZINC001143171313 1029881716 /nfs/dbraw/zinc/88/17/16/1029881716.db2.gz WUEPRBRPECKOLN-UHFFFAOYSA-N 1 2 395.453 3.994 20 30 GHEDLO C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(F)c(Br)c1F)CC2 ZINC001277027762 1031321166 /nfs/dbraw/zinc/32/11/66/1031321166.db2.gz AMQYWCYGKXDRBB-ZDUSSCGKSA-N 1 2 399.279 3.632 20 30 GHEDLO N#Cc1cccc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)n1 ZINC001219254813 1031328010 /nfs/dbraw/zinc/32/80/10/1031328010.db2.gz XCMIHJMOHBFUPM-MRXNPFEDSA-N 1 2 387.846 3.532 20 30 GHEDLO N#Cc1cccc(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)n1 ZINC001219254813 1031328027 /nfs/dbraw/zinc/32/80/27/1031328027.db2.gz XCMIHJMOHBFUPM-MRXNPFEDSA-N 1 2 387.846 3.532 20 30 GHEDLO C[C@H](Oc1nc(C(C)(C)C)ccc1C#N)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001226548985 1032006895 /nfs/dbraw/zinc/00/68/95/1032006895.db2.gz DUOOJXCHRFXOKV-FXAWDEMLSA-N 1 2 379.504 3.919 20 30 GHEDLO C[C@H](Oc1nc(C(C)(C)C)ccc1C#N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001226548985 1032006912 /nfs/dbraw/zinc/00/69/12/1032006912.db2.gz DUOOJXCHRFXOKV-FXAWDEMLSA-N 1 2 379.504 3.919 20 30 GHEDLO C[C@H](Oc1nc(C(C)(C)C)ccc1C#N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001226548990 1032007507 /nfs/dbraw/zinc/00/75/07/1032007507.db2.gz DUOOJXCHRFXOKV-PXNSSMCTSA-N 1 2 379.504 3.919 20 30 GHEDLO C[C@H](Oc1nc(C(C)(C)C)ccc1C#N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001226548990 1032007522 /nfs/dbraw/zinc/00/75/22/1032007522.db2.gz DUOOJXCHRFXOKV-PXNSSMCTSA-N 1 2 379.504 3.919 20 30 GHEDLO Cc1csc2[nH]c(=S)nc(O[C@@H]3CC[N@H+](Cc4ccccc4C#N)C3)c12 ZINC001229352171 1033431582 /nfs/dbraw/zinc/43/15/82/1033431582.db2.gz GUUZDSITBQYBQA-OAHLLOKOSA-N 1 2 382.514 3.813 20 30 GHEDLO Cc1csc2[nH]c(=S)nc(O[C@@H]3CC[N@@H+](Cc4ccccc4C#N)C3)c12 ZINC001229352171 1033431587 /nfs/dbraw/zinc/43/15/87/1033431587.db2.gz GUUZDSITBQYBQA-OAHLLOKOSA-N 1 2 382.514 3.813 20 30 GHEDLO N#Cc1ccc(F)c(NC(=O)NCCN(Cc2ccccc2)c2cccc[nH+]2)c1 ZINC001206061022 1033704599 /nfs/dbraw/zinc/70/45/99/1033704599.db2.gz CXDULDIJCXLZNZ-UHFFFAOYSA-N 1 2 389.434 3.921 20 30 GHEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1cc(Br)cnc1F ZINC001206069322 1033708976 /nfs/dbraw/zinc/70/89/76/1033708976.db2.gz FCELQFLNOUSZIF-UHFFFAOYSA-N 1 2 378.245 3.503 20 30 GHEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1cc(Br)cnc1F ZINC001206069322 1033708989 /nfs/dbraw/zinc/70/89/89/1033708989.db2.gz FCELQFLNOUSZIF-UHFFFAOYSA-N 1 2 378.245 3.503 20 30 GHEDLO C=C(C)[C@@H]1CC=C(C[N@H+]2Cc3nccn3C[C@H](Cn3nc(C)nc3C)C2)CC1 ZINC001208171488 1034770950 /nfs/dbraw/zinc/77/09/50/1034770950.db2.gz UUTHVBIDNDZNSS-NHCUHLMSSA-N 1 2 380.540 3.526 20 30 GHEDLO C=C(C)[C@@H]1CC=C(C[N@@H+]2Cc3nccn3C[C@H](Cn3nc(C)nc3C)C2)CC1 ZINC001208171488 1034770961 /nfs/dbraw/zinc/77/09/61/1034770961.db2.gz UUTHVBIDNDZNSS-NHCUHLMSSA-N 1 2 380.540 3.526 20 30 GHEDLO COc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)c(Br)cc1OC(C)=O ZINC001231689509 1034839053 /nfs/dbraw/zinc/83/90/53/1034839053.db2.gz WFLPTUHSJFSLCO-ZDUSSCGKSA-N 1 2 381.270 3.509 20 30 GHEDLO COc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)c(Br)cc1OC(C)=O ZINC001231689509 1034839062 /nfs/dbraw/zinc/83/90/62/1034839062.db2.gz WFLPTUHSJFSLCO-ZDUSSCGKSA-N 1 2 381.270 3.509 20 30 GHEDLO O[C@@]1(C(F)(F)F)CC[N@H+](Cc2cnc(C(F)(F)F)cc2Cl)CC[C@@H]1F ZINC001231899258 1034977992 /nfs/dbraw/zinc/97/79/92/1034977992.db2.gz DGKNWFMGFXMCGJ-JQWIXIFHSA-N 1 2 394.718 3.981 20 30 GHEDLO O[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cnc(C(F)(F)F)cc2Cl)CC[C@@H]1F ZINC001231899258 1034977998 /nfs/dbraw/zinc/97/79/98/1034977998.db2.gz DGKNWFMGFXMCGJ-JQWIXIFHSA-N 1 2 394.718 3.981 20 30 GHEDLO N#CC[C@@H]1CCC[N@@H+](CCc2c(Br)ccnc2Br)C1 ZINC001208805583 1035030767 /nfs/dbraw/zinc/03/07/67/1035030767.db2.gz FFTFHJNYORIUMD-NSHDSACASA-N 1 2 387.119 3.775 20 30 GHEDLO N#CC[C@@H]1CCC[N@H+](CCc2c(Br)ccnc2Br)C1 ZINC001208805583 1035030774 /nfs/dbraw/zinc/03/07/74/1035030774.db2.gz FFTFHJNYORIUMD-NSHDSACASA-N 1 2 387.119 3.775 20 30 GHEDLO C=CCOC[C@@H]1C[N@@H+](Cc2c[nH]c3ccc(C)cc23)Cc2nnn(CC3CC3)c21 ZINC001209496772 1035293204 /nfs/dbraw/zinc/29/32/04/1035293204.db2.gz ZPTJTYFZOXQDJM-IBGZPJMESA-N 1 2 391.519 3.780 20 30 GHEDLO C=CCOC[C@@H]1C[N@H+](Cc2c[nH]c3ccc(C)cc23)Cc2nnn(CC3CC3)c21 ZINC001209496772 1035293209 /nfs/dbraw/zinc/29/32/09/1035293209.db2.gz ZPTJTYFZOXQDJM-IBGZPJMESA-N 1 2 391.519 3.780 20 30 GHEDLO N#Cc1ccc(OC(F)F)cc1-c1ccc(OCC[NH+]2CCOCC2)cc1F ZINC001244134609 1036386002 /nfs/dbraw/zinc/38/60/02/1036386002.db2.gz GLXZZXZFAONYHC-UHFFFAOYSA-N 1 2 392.377 3.677 20 30 GHEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Br)c(CC)s2)C1 ZINC001232289072 1038023091 /nfs/dbraw/zinc/02/30/91/1038023091.db2.gz HBGVCEWYJMGEFW-LBPRGKRZSA-N 1 2 387.343 3.950 20 30 GHEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cc(Br)c(CC)s2)C1 ZINC001232289072 1038023102 /nfs/dbraw/zinc/02/31/02/1038023102.db2.gz HBGVCEWYJMGEFW-LBPRGKRZSA-N 1 2 387.343 3.950 20 30 GHEDLO COC(=O)C1(C#N)CC[NH+](Cc2cc(OC)ccc2OCc2ccccc2)CC1 ZINC001232383351 1038161531 /nfs/dbraw/zinc/16/15/31/1038161531.db2.gz VVBJHMQSLBDGNS-UHFFFAOYSA-N 1 2 394.471 3.553 20 30 GHEDLO CC(C)(C)OC(=O)N1C[C@H]2CC[N@H+](Cc3ccc(Cl)cc3C#N)C[C@@H]2C1 ZINC001232606454 1038390089 /nfs/dbraw/zinc/39/00/89/1038390089.db2.gz PREMQZCNNXGWAF-NVXWUHKLSA-N 1 2 375.900 3.900 20 30 GHEDLO CC(C)(C)OC(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3C#N)C[C@@H]2C1 ZINC001232606454 1038390101 /nfs/dbraw/zinc/39/01/01/1038390101.db2.gz PREMQZCNNXGWAF-NVXWUHKLSA-N 1 2 375.900 3.900 20 30 GHEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001232608098 1038393448 /nfs/dbraw/zinc/39/34/48/1038393448.db2.gz UWIUGTOPXHQLRI-NJDAHSKKSA-N 1 2 383.879 3.808 20 30 GHEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001232608098 1038393459 /nfs/dbraw/zinc/39/34/59/1038393459.db2.gz UWIUGTOPXHQLRI-NJDAHSKKSA-N 1 2 383.879 3.808 20 30 GHEDLO C=CCN1CC[C@]2(CCC[N@H+]2Cc2cccc(OCC)c2Br)C1=O ZINC001277697815 1038463045 /nfs/dbraw/zinc/46/30/45/1038463045.db2.gz HDLQHASNXPQEEM-LJQANCHMSA-N 1 2 393.325 3.601 20 30 GHEDLO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2cccc(OCC)c2Br)C1=O ZINC001277697815 1038463091 /nfs/dbraw/zinc/46/30/91/1038463091.db2.gz HDLQHASNXPQEEM-LJQANCHMSA-N 1 2 393.325 3.601 20 30 GHEDLO N#Cc1cc(C[N@H+]2CCCC[C@@](O)(C(F)(F)F)C2)ccc1Br ZINC001232894335 1038684127 /nfs/dbraw/zinc/68/41/27/1038684127.db2.gz YFCHJJAXTAZDKD-AWEZNQCLSA-N 1 2 377.204 3.600 20 30 GHEDLO N#Cc1cc(C[N@@H+]2CCCC[C@@](O)(C(F)(F)F)C2)ccc1Br ZINC001232894335 1038684133 /nfs/dbraw/zinc/68/41/33/1038684133.db2.gz YFCHJJAXTAZDKD-AWEZNQCLSA-N 1 2 377.204 3.600 20 30 GHEDLO N#Cc1cc(CN2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)ccc1Br ZINC001232896496 1038690232 /nfs/dbraw/zinc/69/02/32/1038690232.db2.gz CUHLWDFFYDLPHH-MRXNPFEDSA-N 1 2 384.268 3.626 20 30 GHEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2cc(F)c(C)cc2Br)C1=O ZINC001277734091 1038709631 /nfs/dbraw/zinc/70/96/31/1038709631.db2.gz SVVLPGPPTWFYKL-SFHVURJKSA-N 1 2 381.289 3.650 20 30 GHEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(F)c(C)cc2Br)C1=O ZINC001277734091 1038709638 /nfs/dbraw/zinc/70/96/38/1038709638.db2.gz SVVLPGPPTWFYKL-SFHVURJKSA-N 1 2 381.289 3.650 20 30 GHEDLO CCn1cc(C[N@H+](Cc2c(C)nn(C)c2C)Cc2ccc(C#N)cc2C)cn1 ZINC001233080852 1038847679 /nfs/dbraw/zinc/84/76/79/1038847679.db2.gz FBQUOPAMNAJFLM-UHFFFAOYSA-N 1 2 376.508 3.636 20 30 GHEDLO CCn1cc(C[N@@H+](Cc2c(C)nn(C)c2C)Cc2ccc(C#N)cc2C)cn1 ZINC001233080852 1038847701 /nfs/dbraw/zinc/84/77/01/1038847701.db2.gz FBQUOPAMNAJFLM-UHFFFAOYSA-N 1 2 376.508 3.636 20 30 GHEDLO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(N(C)C)c(C#N)c1F ZINC001233096424 1038869784 /nfs/dbraw/zinc/86/97/84/1038869784.db2.gz GBRATYQQWJUQEJ-HNNXBMFYSA-N 1 2 390.503 3.595 20 30 GHEDLO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(N(C)C)c(C#N)c1F ZINC001233096424 1038869806 /nfs/dbraw/zinc/86/98/06/1038869806.db2.gz GBRATYQQWJUQEJ-HNNXBMFYSA-N 1 2 390.503 3.595 20 30 GHEDLO C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(C#N)c2F)CCN1C(=O)OC(C)(C)C ZINC001233098734 1038874194 /nfs/dbraw/zinc/87/41/94/1038874194.db2.gz MGNYZMLOWCFGIK-OAHLLOKOSA-N 1 2 390.503 3.595 20 30 GHEDLO C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c(C#N)c2F)CCN1C(=O)OC(C)(C)C ZINC001233098734 1038874217 /nfs/dbraw/zinc/87/42/17/1038874217.db2.gz MGNYZMLOWCFGIK-OAHLLOKOSA-N 1 2 390.503 3.595 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c(O)c1 ZINC001233383233 1039208941 /nfs/dbraw/zinc/20/89/41/1039208941.db2.gz BCORWAFZLNKVEL-UHFFFAOYSA-N 1 2 375.394 3.600 20 30 GHEDLO N#Cc1c(Cl)cccc1C[N@@H+]1CC[C@H]2CN(C(=O)Cc3ccsc3)C[C@H]21 ZINC001278687586 1039253508 /nfs/dbraw/zinc/25/35/08/1039253508.db2.gz PHRRYWKSKTTYPV-QFBILLFUSA-N 1 2 385.920 3.549 20 30 GHEDLO N#Cc1c(Cl)cccc1C[N@H+]1CC[C@H]2CN(C(=O)Cc3ccsc3)C[C@H]21 ZINC001278687586 1039253520 /nfs/dbraw/zinc/25/35/20/1039253520.db2.gz PHRRYWKSKTTYPV-QFBILLFUSA-N 1 2 385.920 3.549 20 30 GHEDLO CC1=CC(=O)C[C@H](c2ccc(OC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)cc2)O1 ZINC001234161374 1039901042 /nfs/dbraw/zinc/90/10/42/1039901042.db2.gz XKAUQQOERYAWNU-BJKOFHAPSA-N 1 2 393.483 3.901 20 30 GHEDLO CC1=CC(=O)C[C@H](c2ccc(OC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)cc2)O1 ZINC001234161374 1039901047 /nfs/dbraw/zinc/90/10/47/1039901047.db2.gz XKAUQQOERYAWNU-BJKOFHAPSA-N 1 2 393.483 3.901 20 30 GHEDLO Cc1ccc(CC2CC[NH+](CCS(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC001254482599 1040270142 /nfs/dbraw/zinc/27/01/42/1040270142.db2.gz GZDWXEBVYAAQHL-UHFFFAOYSA-N 1 2 382.529 3.595 20 30 GHEDLO C[N@H+]1[C@@H]2C[C@@H](Oc3c(Br)ccc(Cl)c3Cl)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234928166 1040436166 /nfs/dbraw/zinc/43/61/66/1040436166.db2.gz ZZOQZNYIJDQEEY-JSEJZBOZSA-N 1 2 379.081 3.747 20 30 GHEDLO C[N@@H+]1[C@@H]2C[C@@H](Oc3c(Br)ccc(Cl)c3Cl)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234928166 1040436175 /nfs/dbraw/zinc/43/61/75/1040436175.db2.gz ZZOQZNYIJDQEEY-JSEJZBOZSA-N 1 2 379.081 3.747 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(Oc2cccnc2)cc1 ZINC001235113899 1040601785 /nfs/dbraw/zinc/60/17/85/1040601785.db2.gz CRJDHQGPXZRYTJ-QFIPXVFZSA-N 1 2 390.487 3.909 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(Oc2cccnc2)cc1 ZINC001235113899 1040601807 /nfs/dbraw/zinc/60/18/07/1040601807.db2.gz CRJDHQGPXZRYTJ-QFIPXVFZSA-N 1 2 390.487 3.909 20 30 GHEDLO C#CCC1(O)CC[NH+](Cc2cc(Br)cc(Br)c2)CC1 ZINC001462536586 1070338196 /nfs/dbraw/zinc/33/81/96/1070338196.db2.gz ZLJHLWLQCIQLHN-UHFFFAOYSA-N 1 2 387.115 3.562 20 30 GHEDLO CC(C)(C)OC(=O)NC1CC[NH+](Cc2ccc(C#N)c(Br)c2)CC1 ZINC001236855079 1041929560 /nfs/dbraw/zinc/92/95/60/1041929560.db2.gz KTBIHPSLPKDGDJ-UHFFFAOYSA-N 1 2 394.313 3.810 20 30 GHEDLO CC[N@@H+](Cc1cc(C#N)c(F)cc1F)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001237535692 1042254518 /nfs/dbraw/zinc/25/45/18/1042254518.db2.gz CPHLBPPDGPUQKN-HXUWFJFHSA-N 1 2 385.458 3.559 20 30 GHEDLO CC[N@H+](Cc1cc(C#N)c(F)cc1F)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001237535692 1042254523 /nfs/dbraw/zinc/25/45/23/1042254523.db2.gz CPHLBPPDGPUQKN-HXUWFJFHSA-N 1 2 385.458 3.559 20 30 GHEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc(Br)cc2C(C)C)CC1 ZINC001237738408 1042346947 /nfs/dbraw/zinc/34/69/47/1042346947.db2.gz JAQUQQJJPFRMFB-UHFFFAOYSA-N 1 2 379.298 3.851 20 30 GHEDLO N#Cc1ccnc(N2CC[NH+](Cc3cc(-c4cccc(Cl)c4)no3)CC2)c1 ZINC001237773909 1042363344 /nfs/dbraw/zinc/36/33/44/1042363344.db2.gz LXACDCWNLKSXGN-UHFFFAOYSA-N 1 2 379.851 3.584 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 ZINC001262977916 1046462540 /nfs/dbraw/zinc/46/25/40/1046462540.db2.gz RKFUXRKFQYZYGN-TYPHKJRUSA-N 1 2 395.551 3.662 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 ZINC001262977916 1046462547 /nfs/dbraw/zinc/46/25/47/1046462547.db2.gz RKFUXRKFQYZYGN-TYPHKJRUSA-N 1 2 395.551 3.662 20 30 GHEDLO N#C[C@H](NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1Br ZINC001301312089 1046475003 /nfs/dbraw/zinc/47/50/03/1046475003.db2.gz ZUQQDFVMHMZZMZ-SFHVURJKSA-N 1 2 395.260 3.558 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@@]2(CCOC2)C1 ZINC001263301627 1046699455 /nfs/dbraw/zinc/69/94/55/1046699455.db2.gz UTDZNMVHYOFFBC-WMZHIEFXSA-N 1 2 395.551 3.664 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@@]2(CCOC2)C1 ZINC001263301627 1046699457 /nfs/dbraw/zinc/69/94/57/1046699457.db2.gz UTDZNMVHYOFFBC-WMZHIEFXSA-N 1 2 395.551 3.664 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC[C@H]([C@@H]2CCCO2)C1 ZINC001263304987 1046702690 /nfs/dbraw/zinc/70/26/90/1046702690.db2.gz OEYVPIGMQLGQDK-ZCNNSNEGSA-N 1 2 398.555 3.692 20 30 GHEDLO C[N@@H+]1CCC[C@@H]1c1nnc(N2Cc3ccc(C#N)cc3C2)n1Cc1cccs1 ZINC001263489708 1046891373 /nfs/dbraw/zinc/89/13/73/1046891373.db2.gz XYANWGIDKLLCON-LJQANCHMSA-N 1 2 390.516 3.546 20 30 GHEDLO C[N@H+]1CCC[C@@H]1c1nnc(N2Cc3ccc(C#N)cc3C2)n1Cc1cccs1 ZINC001263489708 1046891383 /nfs/dbraw/zinc/89/13/83/1046891383.db2.gz XYANWGIDKLLCON-LJQANCHMSA-N 1 2 390.516 3.546 20 30 GHEDLO Cc1nnc(N(CCC#N)CCC(C)C)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001304804869 1047775218 /nfs/dbraw/zinc/77/52/18/1047775218.db2.gz OQYSVTJMLSFFIH-UHFFFAOYSA-N 1 2 395.486 3.726 20 30 GHEDLO CC[C@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001305377723 1048001248 /nfs/dbraw/zinc/00/12/48/1048001248.db2.gz SJDZHUDVRHQVEU-IRXDYDNUSA-N 1 2 383.544 3.677 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(C(C)C)n2[C@H]2C[C@H](c3ccccc3C)C2)CC1 ZINC001286471556 1048335918 /nfs/dbraw/zinc/33/59/18/1048335918.db2.gz LVTCRULAZKHYEU-MXVIHJGJSA-N 1 2 377.536 3.584 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(C3CCCC3)n2CCc2ccc(Cl)cc2)CC1 ZINC001286480231 1048336585 /nfs/dbraw/zinc/33/65/85/1048336585.db2.gz SQLSSENYIGLGNP-UHFFFAOYSA-N 1 2 397.954 3.587 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CC=CCC2)CC1 ZINC001286473471 1048336769 /nfs/dbraw/zinc/33/67/69/1048336769.db2.gz LZWXWJNWTFCWHO-SFHVURJKSA-N 1 2 395.938 3.710 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C)Cc2cccs2)CC1 ZINC001286479957 1048337123 /nfs/dbraw/zinc/33/71/23/1048337123.db2.gz JFQKTQBELUKYCU-GOSISDBHSA-N 1 2 399.608 3.562 20 30 GHEDLO C[C@H](C#N)CN(C)c1nnc(CC(C)(C)C)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001286967429 1048559125 /nfs/dbraw/zinc/55/91/25/1048559125.db2.gz GPUVRDHXTWGKPJ-QGZVFWFLSA-N 1 2 391.523 3.697 20 30 GHEDLO Cc1c2c(nc(SCc3cccc(C[NH+]4CCOCC4)c3)c1C#N)CCC2 ZINC001307272065 1049172582 /nfs/dbraw/zinc/17/25/82/1049172582.db2.gz GZOZRUZCPKFZLL-UHFFFAOYSA-N 1 2 379.529 3.875 20 30 GHEDLO N#Cc1ccc(Br)c(OCc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC001307383959 1049236030 /nfs/dbraw/zinc/23/60/30/1049236030.db2.gz UVDHATYTACYTMY-UHFFFAOYSA-N 1 2 387.277 3.732 20 30 GHEDLO CCOC(=O)c1oc2ccccc2c1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC001307445500 1049281764 /nfs/dbraw/zinc/28/17/64/1049281764.db2.gz BVIKLYNDAWVGQG-UHFFFAOYSA-N 1 2 389.455 3.803 20 30 GHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CC[C@@H]3[C@H](C2)C3(F)F)c1C#N ZINC001307596293 1049433934 /nfs/dbraw/zinc/43/39/34/1049433934.db2.gz JAMHZXWVJKKXTB-MOPGFXCFSA-N 1 2 398.457 3.550 20 30 GHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CC[C@@H]3[C@H](C2)C3(F)F)c1C#N ZINC001307596293 1049433947 /nfs/dbraw/zinc/43/39/47/1049433947.db2.gz JAMHZXWVJKKXTB-MOPGFXCFSA-N 1 2 398.457 3.550 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@H+]2Cc3ncccc3N3CCC[C@H]3C2)c1 ZINC001308139998 1049879159 /nfs/dbraw/zinc/87/91/59/1049879159.db2.gz RLSKLEFGWGVUBJ-INIZCTEOSA-N 1 2 383.293 3.700 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@@H+]2Cc3ncccc3N3CCC[C@H]3C2)c1 ZINC001308139998 1049879169 /nfs/dbraw/zinc/87/91/69/1049879169.db2.gz RLSKLEFGWGVUBJ-INIZCTEOSA-N 1 2 383.293 3.700 20 30 GHEDLO N#Cc1cccc([N+](=O)[O-])c1CSCc1cccc(C[NH+]2CCOCC2)c1 ZINC001327583048 1050223408 /nfs/dbraw/zinc/22/34/08/1050223408.db2.gz DZCCVCRBSMSGKM-UHFFFAOYSA-N 1 2 383.473 3.732 20 30 GHEDLO Nc1ccc(C=[NH+]Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)c(Cl)c1 ZINC001330192786 1050973933 /nfs/dbraw/zinc/97/39/33/1050973933.db2.gz QOVODNDOWWGCSJ-UHFFFAOYSA-N 1 2 377.775 3.662 20 30 GHEDLO N#Cc1ccc(F)c(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)c1 ZINC001330253101 1050986210 /nfs/dbraw/zinc/98/62/10/1050986210.db2.gz AIEYVRGIDRPVPX-UHFFFAOYSA-N 1 2 377.423 3.812 20 30 GHEDLO C=CC[C@@H](CC)NC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001312600201 1052806309 /nfs/dbraw/zinc/80/63/09/1052806309.db2.gz NNTWJGRTLGCBNB-MRXNPFEDSA-N 1 2 385.430 3.767 20 30 GHEDLO C=C(C)Cn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@H](OCC)C1 ZINC001343456882 1053782121 /nfs/dbraw/zinc/78/21/21/1053782121.db2.gz KCQBGGLNGFBFNU-QUCCMNQESA-N 1 2 383.540 3.662 20 30 GHEDLO C=C(C)Cn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@H](OCC)C1 ZINC001343456882 1053782133 /nfs/dbraw/zinc/78/21/33/1053782133.db2.gz KCQBGGLNGFBFNU-QUCCMNQESA-N 1 2 383.540 3.662 20 30 GHEDLO C=C(C)Cn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCCO[C@H](C)C1 ZINC001343456793 1053782278 /nfs/dbraw/zinc/78/22/78/1053782278.db2.gz IOKSXLMKEJUZJB-RTBURBONSA-N 1 2 383.540 3.662 20 30 GHEDLO C=C(C)Cn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCCO[C@H](C)C1 ZINC001343456793 1053782293 /nfs/dbraw/zinc/78/22/93/1053782293.db2.gz IOKSXLMKEJUZJB-RTBURBONSA-N 1 2 383.540 3.662 20 30 GHEDLO COc1cc[nH+]cc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(C)(C)C ZINC001315670245 1053907893 /nfs/dbraw/zinc/90/78/93/1053907893.db2.gz UTWXNAMXZVESHW-UHFFFAOYSA-N 1 2 390.491 3.751 20 30 GHEDLO N#Cc1cc(F)c(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)c(F)c1 ZINC001319115200 1055044718 /nfs/dbraw/zinc/04/47/18/1055044718.db2.gz PYYUBHISLZFCAB-UHFFFAOYSA-N 1 2 395.413 3.951 20 30 GHEDLO N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC(C(=O)c4cccs4)CC3)C2=O)cc1 ZINC001319902396 1055531352 /nfs/dbraw/zinc/53/13/52/1055531352.db2.gz MCIHJDKFIPUTQR-LJQANCHMSA-N 1 2 393.512 3.710 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2C[C@@H](CC)c2ccccc2)CC1 ZINC001300681770 1056857471 /nfs/dbraw/zinc/85/74/71/1056857471.db2.gz BGPLCTWDQDULMV-VQTJNVASSA-N 1 2 379.552 3.741 20 30 GHEDLO C=CCO[C@@H]1CC[N@@H+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC001325224255 1057292893 /nfs/dbraw/zinc/29/28/93/1057292893.db2.gz WLDOFRCNRHFIAA-WIYYLYMNSA-N 1 2 395.459 3.860 20 30 GHEDLO C=CCO[C@@H]1CC[N@H+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC001325224255 1057292899 /nfs/dbraw/zinc/29/28/99/1057292899.db2.gz WLDOFRCNRHFIAA-WIYYLYMNSA-N 1 2 395.459 3.860 20 30 GHEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC[C@@H]1c1cccs1 ZINC001355886409 1057305140 /nfs/dbraw/zinc/30/51/40/1057305140.db2.gz GIXOKUWHLQFYDT-SJORKVTESA-N 1 2 387.553 3.649 20 30 GHEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC[C@@H]1c1cccs1 ZINC001355886409 1057305146 /nfs/dbraw/zinc/30/51/46/1057305146.db2.gz GIXOKUWHLQFYDT-SJORKVTESA-N 1 2 387.553 3.649 20 30 GHEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@H]1c1ccc(F)cc1C ZINC001355977221 1057340788 /nfs/dbraw/zinc/34/07/88/1057340788.db2.gz QAYWIZHDSIPZTP-IBGZPJMESA-N 1 2 394.498 3.968 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 ZINC001356239174 1057443436 /nfs/dbraw/zinc/44/34/36/1057443436.db2.gz PBQBMOCJHDTQIZ-VAMGGRTRSA-N 1 2 398.555 3.692 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N(C)C[C@H]1CCCOC1 ZINC001356240016 1057443513 /nfs/dbraw/zinc/44/35/13/1057443513.db2.gz VGIVQVJSLJOWLJ-RTBURBONSA-N 1 2 386.544 3.549 20 30 GHEDLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)Nc1cccc(C#Cc2ccccn2)c1 ZINC001440870165 1058645135 /nfs/dbraw/zinc/64/51/35/1058645135.db2.gz FUTDBSBFHPMZTK-SFHVURJKSA-N 1 2 384.361 3.810 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC[C@]2(CC2(F)F)C1 ZINC001339021341 1058927032 /nfs/dbraw/zinc/92/70/32/1058927032.db2.gz BLBLBJIBIVDOOD-APWZRJJASA-N 1 2 390.482 3.922 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N(C)Cc1ncc(CC)s1 ZINC001339133819 1058974477 /nfs/dbraw/zinc/97/44/77/1058974477.db2.gz DAQOAOWOGTXVOH-QGZVFWFLSA-N 1 2 399.568 3.951 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC(OCCC(C)C)CC1 ZINC001340265071 1059801961 /nfs/dbraw/zinc/80/19/61/1059801961.db2.gz XCKZAVOKXMGRED-LJQANCHMSA-N 1 2 375.561 3.652 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC(OCCC(C)C)CC1 ZINC001340265071 1059801986 /nfs/dbraw/zinc/80/19/86/1059801986.db2.gz XCKZAVOKXMGRED-LJQANCHMSA-N 1 2 375.561 3.652 20 30 GHEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCC[C@H]1c1ccc(C(C)C)cc1 ZINC001340377013 1059901028 /nfs/dbraw/zinc/90/10/28/1059901028.db2.gz ZXWNXDBHAHXXRK-ACRUOGEOSA-N 1 2 395.551 3.667 20 30 GHEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCC[C@H]1c1ccc(C(C)C)cc1 ZINC001340377013 1059901031 /nfs/dbraw/zinc/90/10/31/1059901031.db2.gz ZXWNXDBHAHXXRK-ACRUOGEOSA-N 1 2 395.551 3.667 20 30 GHEDLO N#CCC1CCN(C(=O)[C@@H](c2cccc(Br)c2)[NH+]2CCCC2)CC1 ZINC001447582270 1059984936 /nfs/dbraw/zinc/98/49/36/1059984936.db2.gz IFKWGVJERNXPCJ-GOSISDBHSA-N 1 2 390.325 3.738 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@H]1c1ccc(F)cc1C ZINC001340594803 1059988940 /nfs/dbraw/zinc/98/89/40/1059988940.db2.gz TYSIFUAVEWMFBU-SFHVURJKSA-N 1 2 380.471 3.577 20 30 GHEDLO CC[N@H+](CC(=O)N[C@@]1(C#N)CCc2ccccc2C1)Cc1ccccc1Cl ZINC001447865279 1060053448 /nfs/dbraw/zinc/05/34/48/1060053448.db2.gz JSNKDOODGNBKLK-QFIPXVFZSA-N 1 2 381.907 3.729 20 30 GHEDLO CC[N@@H+](CC(=O)N[C@@]1(C#N)CCc2ccccc2C1)Cc1ccccc1Cl ZINC001447865279 1060053472 /nfs/dbraw/zinc/05/34/72/1060053472.db2.gz JSNKDOODGNBKLK-QFIPXVFZSA-N 1 2 381.907 3.729 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@]1(C)c1ccccc1 ZINC001341036166 1060347341 /nfs/dbraw/zinc/34/73/41/1060347341.db2.gz OEEFDYJCDVEKEG-HSZRJFAPSA-N 1 2 392.551 3.907 20 30 GHEDLO C=CCC[C@H]1CCCN1c1nnc(Cc2[nH+]ccn2Cc2ccccc2)n1C ZINC001341246081 1060527292 /nfs/dbraw/zinc/52/72/92/1060527292.db2.gz ABSCCKZFDDVMIJ-IBGZPJMESA-N 1 2 376.508 3.586 20 30 GHEDLO N#Cc1cccc(OCc2ccoc2C(=O)N2CCC(Cc3c[nH]c[nH+]3)CC2)c1 ZINC001348558454 1063213881 /nfs/dbraw/zinc/21/38/81/1063213881.db2.gz LRXUAZLNPGPJHH-UHFFFAOYSA-N 1 2 390.443 3.548 20 30 GHEDLO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC001459884788 1064256917 /nfs/dbraw/zinc/25/69/17/1064256917.db2.gz WWHDEVMKAVMZJU-RTBURBONSA-N 1 2 376.342 3.992 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@@H]1Cc1ccccc1 ZINC001352495417 1065081701 /nfs/dbraw/zinc/08/17/01/1065081701.db2.gz RXHXLMDSWDACNB-OAQYLSRUSA-N 1 2 392.551 3.603 20 30 GHEDLO C#C[C@H](C)N(C)c1nnc(C(C)C)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001300272843 1065902599 /nfs/dbraw/zinc/90/25/99/1065902599.db2.gz NWEYINIXTNOXEP-SFHVURJKSA-N 1 2 380.540 3.683 20 30 GHEDLO C#C[C@H](C)N(C)c1nnc(C2CCC2)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001300302486 1065956399 /nfs/dbraw/zinc/95/63/99/1065956399.db2.gz BKFHXAYXWZISMC-SFHVURJKSA-N 1 2 392.551 3.683 20 30 GHEDLO C#Cc1ccc(C(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)cc1 ZINC001467935688 1067534993 /nfs/dbraw/zinc/53/49/93/1067534993.db2.gz ZAQVGPZFTJZPQH-UHFFFAOYSA-N 1 2 398.260 3.563 20 30 GHEDLO C#C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1CCCc1cccc(C)[nH+]1 ZINC001358894927 1067601920 /nfs/dbraw/zinc/60/19/20/1067601920.db2.gz ZNSZDQOVVDYLFO-QGZVFWFLSA-N 1 2 379.533 3.725 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCCC)CC1 ZINC001359030530 1067659688 /nfs/dbraw/zinc/65/96/88/1067659688.db2.gz XXVGNBOUFDPOER-GOSISDBHSA-N 1 2 399.514 3.503 20 30 GHEDLO CC(C)Cc1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001359778290 1068181401 /nfs/dbraw/zinc/18/14/01/1068181401.db2.gz DTUSLGQYUQFYHD-SFHVURJKSA-N 1 2 395.555 3.506 20 30 GHEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000769914612 1068404848 /nfs/dbraw/zinc/40/48/48/1068404848.db2.gz USJRBZBOKILCEC-IRLDBZIGSA-N 1 2 394.906 3.715 20 30 GHEDLO CC(C)OC1(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCCC1 ZINC001478153956 1078744631 /nfs/dbraw/zinc/74/46/31/1078744631.db2.gz UOORKEKGTWJYKE-UHFFFAOYSA-N 1 2 398.551 3.513 20 30 GHEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001460197059 1068854079 /nfs/dbraw/zinc/85/40/79/1068854079.db2.gz NTOBINCOCPFZKH-SFTDATJTSA-N 1 2 398.528 3.510 20 30 GHEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001460197059 1068854106 /nfs/dbraw/zinc/85/41/06/1068854106.db2.gz NTOBINCOCPFZKH-SFTDATJTSA-N 1 2 398.528 3.510 20 30 GHEDLO CC(C)C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)NC[C@@H](C)C#N ZINC001478412225 1078857383 /nfs/dbraw/zinc/85/73/83/1078857383.db2.gz HPFITTGHBVYJFA-LPHOPBHVSA-N 1 2 376.932 3.742 20 30 GHEDLO CC(C)C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)NC[C@@H](C)C#N ZINC001478412225 1078857389 /nfs/dbraw/zinc/85/73/89/1078857389.db2.gz HPFITTGHBVYJFA-LPHOPBHVSA-N 1 2 376.932 3.742 20 30 GHEDLO CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(Cc2cc(C#N)ccn2)CC1 ZINC001473156139 1073814242 /nfs/dbraw/zinc/81/42/42/1073814242.db2.gz QCIBGNVNWRRJJL-FQEVSTJZSA-N 1 2 399.336 3.985 20 30 GHEDLO CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)C[N@@H+]1Cc1cncc(C#N)c1 ZINC001473176472 1073833311 /nfs/dbraw/zinc/83/33/11/1073833311.db2.gz MAYDZQKMCBUIOG-YADHBBJMSA-N 1 2 392.503 3.965 20 30 GHEDLO CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)C[N@H+]1Cc1cncc(C#N)c1 ZINC001473176472 1073833319 /nfs/dbraw/zinc/83/33/19/1073833319.db2.gz MAYDZQKMCBUIOG-YADHBBJMSA-N 1 2 392.503 3.965 20 30 GHEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC001474405248 1074390769 /nfs/dbraw/zinc/39/07/69/1074390769.db2.gz PZNLOHLSAZYXFN-UHFFFAOYSA-N 1 2 391.345 3.891 20 30 GHEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC001474405248 1074390780 /nfs/dbraw/zinc/39/07/80/1074390780.db2.gz PZNLOHLSAZYXFN-UHFFFAOYSA-N 1 2 391.345 3.891 20 30 GHEDLO N#Cc1ccccc1Oc1ccc(NC(=O)NCc2ccc[nH+]c2N)cc1F ZINC001476214247 1075104443 /nfs/dbraw/zinc/10/44/43/1075104443.db2.gz KWHUTIRMKYRVEG-UHFFFAOYSA-N 1 2 377.379 3.789 20 30 GHEDLO CC[C@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001495085508 1079380875 /nfs/dbraw/zinc/38/08/75/1079380875.db2.gz BFMZTZDEBXBZDD-IRXDYDNUSA-N 1 2 377.496 3.621 20 30 GHEDLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(C#N)cn1)CC2 ZINC001164662138 719344973 /nfs/dbraw/zinc/34/49/73/719344973.db2.gz NRVFHYPKDUCUMX-UHFFFAOYSA-N 1 2 398.514 3.648 20 30 GHEDLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(C#N)cn1)CC2 ZINC001164662138 719344977 /nfs/dbraw/zinc/34/49/77/719344977.db2.gz NRVFHYPKDUCUMX-UHFFFAOYSA-N 1 2 398.514 3.648 20 30 GHEDLO O=C(c1ccccc1)N1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000177016253 837715810 /nfs/dbraw/zinc/71/58/10/837715810.db2.gz LVEGVUZAWCURCZ-UHFFFAOYSA-N 1 2 386.417 3.905 20 30 GHEDLO O=C(c1ccccc1)N1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000177016253 837715820 /nfs/dbraw/zinc/71/58/20/837715820.db2.gz LVEGVUZAWCURCZ-UHFFFAOYSA-N 1 2 386.417 3.905 20 30 GHEDLO CCc1nc2ccccc2n1C1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000180968749 837749772 /nfs/dbraw/zinc/74/97/72/837749772.db2.gz UCUCQZROAYAGRB-UHFFFAOYSA-N 1 2 393.516 3.807 20 30 GHEDLO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000579746105 834511995 /nfs/dbraw/zinc/51/19/95/834511995.db2.gz FKEWMOUVBOVEKF-UHFFFAOYSA-N 1 2 377.492 3.927 20 30 GHEDLO CC(C)c1nc2ccc(NC(=O)N3C[C@H]([NH+]4CCOCC4)C[C@@H]3C)cc2s1 ZINC000329374239 834933491 /nfs/dbraw/zinc/93/34/91/834933491.db2.gz NJJZAUNWVGHIST-GOEBONIOSA-N 1 2 388.537 3.760 20 30 GHEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000583745431 834968342 /nfs/dbraw/zinc/96/83/42/834968342.db2.gz UECIPTSUJCKWQN-QGZVFWFLSA-N 1 2 388.943 3.583 20 30 GHEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000583745431 834968346 /nfs/dbraw/zinc/96/83/46/834968346.db2.gz UECIPTSUJCKWQN-QGZVFWFLSA-N 1 2 388.943 3.583 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000151255942 835333128 /nfs/dbraw/zinc/33/31/28/835333128.db2.gz KWBAWOLJDJNYFF-IAGOWNOFSA-N 1 2 395.532 3.583 20 30 GHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000512516333 844044101 /nfs/dbraw/zinc/04/41/01/844044101.db2.gz DYACAZIWADCCOM-QGZVFWFLSA-N 1 2 398.507 3.641 20 30 GHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000512516333 844044107 /nfs/dbraw/zinc/04/41/07/844044107.db2.gz DYACAZIWADCCOM-QGZVFWFLSA-N 1 2 398.507 3.641 20 30 GHEDLO CC(C)(C)c1ccc(C#N)c(NCc2ccccc2OCC[NH+]2CCOCC2)n1 ZINC000613416828 836347156 /nfs/dbraw/zinc/34/71/56/836347156.db2.gz XFYVEEPKOJUMIA-UHFFFAOYSA-N 1 2 394.519 3.574 20 30 GHEDLO COc1cc(C[N@H+](C)Cc2cccc(C#N)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000179928939 836375864 /nfs/dbraw/zinc/37/58/64/836375864.db2.gz GJCKXTPYUKGCRX-UHFFFAOYSA-N 1 2 391.374 3.751 20 30 GHEDLO COc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000179928939 836375873 /nfs/dbraw/zinc/37/58/73/836375873.db2.gz GJCKXTPYUKGCRX-UHFFFAOYSA-N 1 2 391.374 3.751 20 30 GHEDLO COc1cc(C[N@H+](C)Cc2ccc(C#N)cc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000179929379 836380044 /nfs/dbraw/zinc/38/00/44/836380044.db2.gz YDSARMVPJPTLHW-UHFFFAOYSA-N 1 2 391.374 3.751 20 30 GHEDLO COc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000179929379 836380054 /nfs/dbraw/zinc/38/00/54/836380054.db2.gz YDSARMVPJPTLHW-UHFFFAOYSA-N 1 2 391.374 3.751 20 30 GHEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCO[C@@H](c4ccco4)C3)sc2C1 ZINC000247067267 836714506 /nfs/dbraw/zinc/71/45/06/836714506.db2.gz WOFKCZKLRJXOGB-RDTXWAMCSA-N 1 2 399.516 3.740 20 30 GHEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCO[C@@H](c4ccco4)C3)sc2C1 ZINC000247067267 836714514 /nfs/dbraw/zinc/71/45/14/836714514.db2.gz WOFKCZKLRJXOGB-RDTXWAMCSA-N 1 2 399.516 3.740 20 30 GHEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(-c2c(F)cccc2F)o1 ZINC000180586818 837371078 /nfs/dbraw/zinc/37/10/78/837371078.db2.gz ZGVKWMHEWHLYGW-AWEZNQCLSA-N 1 2 395.413 3.597 20 30 GHEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(-c2c(F)cccc2F)o1 ZINC000180586818 837371091 /nfs/dbraw/zinc/37/10/91/837371091.db2.gz ZGVKWMHEWHLYGW-AWEZNQCLSA-N 1 2 395.413 3.597 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000376549589 838014980 /nfs/dbraw/zinc/01/49/80/838014980.db2.gz ABAXFTOHTXNKSP-FUHWJXTLSA-N 1 2 396.516 3.568 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000376549589 838014988 /nfs/dbraw/zinc/01/49/88/838014988.db2.gz ABAXFTOHTXNKSP-FUHWJXTLSA-N 1 2 396.516 3.568 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)c(Cl)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000547978095 838175216 /nfs/dbraw/zinc/17/52/16/838175216.db2.gz SFRDZYGCUDLFTG-QZTJIDSGSA-N 1 2 375.806 3.665 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)c(Cl)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000547978095 838175221 /nfs/dbraw/zinc/17/52/21/838175221.db2.gz SFRDZYGCUDLFTG-QZTJIDSGSA-N 1 2 375.806 3.665 20 30 GHEDLO CCOC(=O)c1ccc2c(c1)nc(C[N@H+](C)Cc1cccc(C#N)c1)n2CC ZINC000472769615 839520694 /nfs/dbraw/zinc/52/06/94/839520694.db2.gz JFKXMOFMWIOYFR-UHFFFAOYSA-N 1 2 376.460 3.737 20 30 GHEDLO CCOC(=O)c1ccc2c(c1)nc(C[N@@H+](C)Cc1cccc(C#N)c1)n2CC ZINC000472769615 839520701 /nfs/dbraw/zinc/52/07/01/839520701.db2.gz JFKXMOFMWIOYFR-UHFFFAOYSA-N 1 2 376.460 3.737 20 30 GHEDLO Cc1cc(C(O)=CONC(=[NH2+])c2ccc(C)c(F)c2)c(C)n1CC(F)(F)F ZINC000122562877 839708079 /nfs/dbraw/zinc/70/80/79/839708079.db2.gz PKTRHDCHEKOLAU-UHFFFAOYSA-N 1 2 385.361 3.635 20 30 GHEDLO N#CC1(c2ccc(COC(=O)c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)cc2)CC1 ZINC001266633408 839943352 /nfs/dbraw/zinc/94/33/52/839943352.db2.gz JUKHPTMCMICFJO-UHFFFAOYSA-N 1 2 388.383 3.693 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000120635143 844619138 /nfs/dbraw/zinc/61/91/38/844619138.db2.gz COESEWLKZCWAEP-OAQYLSRUSA-N 1 2 376.847 3.924 20 30 GHEDLO C#CCOc1cccc([C@H](C)OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000730700450 861232407 /nfs/dbraw/zinc/23/24/07/861232407.db2.gz SHKMHRSNCNZQSG-HNNXBMFYSA-N 1 2 391.383 3.711 20 30 GHEDLO Cc1cc(C2CC[NH+]([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)CC2)n[nH]1 ZINC000329307217 861268725 /nfs/dbraw/zinc/26/87/25/861268725.db2.gz PMBFQWOCWHSPRY-ZDUSSCGKSA-N 1 2 383.521 3.996 20 30 GHEDLO Cc1cc(C2CC[NH+]([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)CC2)[nH]n1 ZINC000329307217 861268746 /nfs/dbraw/zinc/26/87/46/861268746.db2.gz PMBFQWOCWHSPRY-ZDUSSCGKSA-N 1 2 383.521 3.996 20 30 GHEDLO Cc1cc(N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)nc(C2CC2)[nH+]1 ZINC000329326904 861287891 /nfs/dbraw/zinc/28/78/91/861287891.db2.gz JPFBZFSKANIPDZ-UHFFFAOYSA-N 1 2 379.508 3.689 20 30 GHEDLO N#Cc1c(NC(=O)CC[N@H+]2Cc3ccc(O)cc3C2)sc2c1CCCCC2 ZINC000599538567 861304752 /nfs/dbraw/zinc/30/47/52/861304752.db2.gz PBVVJFUNVIABIC-UHFFFAOYSA-N 1 2 381.501 3.939 20 30 GHEDLO N#Cc1c(NC(=O)CC[N@@H+]2Cc3ccc(O)cc3C2)sc2c1CCCCC2 ZINC000599538567 861304767 /nfs/dbraw/zinc/30/47/67/861304767.db2.gz PBVVJFUNVIABIC-UHFFFAOYSA-N 1 2 381.501 3.939 20 30 GHEDLO CCC[N@H+](CC(=O)N(CC)CCC#N)[C@@H](C)c1ccccc1Br ZINC000603889732 861332070 /nfs/dbraw/zinc/33/20/70/861332070.db2.gz OFWFWUVSVPAQNU-HNNXBMFYSA-N 1 2 380.330 3.984 20 30 GHEDLO CCC[N@@H+](CC(=O)N(CC)CCC#N)[C@@H](C)c1ccccc1Br ZINC000603889732 861332088 /nfs/dbraw/zinc/33/20/88/861332088.db2.gz OFWFWUVSVPAQNU-HNNXBMFYSA-N 1 2 380.330 3.984 20 30 GHEDLO N#Cc1ccc(C[N@@H+](Cc2cnc3n2CCOC3)Cc2cccc(F)c2)cc1 ZINC000891736109 842774916 /nfs/dbraw/zinc/77/49/16/842774916.db2.gz GILUPTFZRHHCTN-UHFFFAOYSA-N 1 2 376.435 3.626 20 30 GHEDLO N#Cc1ccc(C[N@H+](Cc2cnc3n2CCOC3)Cc2cccc(F)c2)cc1 ZINC000891736109 842774921 /nfs/dbraw/zinc/77/49/21/842774921.db2.gz GILUPTFZRHHCTN-UHFFFAOYSA-N 1 2 376.435 3.626 20 30 GHEDLO C=CCn1c(SCC[N@H+]2CCOC[C@@H]2C)nnc1-c1ccc(Cl)cc1 ZINC000188246638 842847490 /nfs/dbraw/zinc/84/74/90/842847490.db2.gz VKBKWYUOJCQEHE-AWEZNQCLSA-N 1 2 378.929 3.597 20 30 GHEDLO C=CCn1c(SCC[N@@H+]2CCOC[C@@H]2C)nnc1-c1ccc(Cl)cc1 ZINC000188246638 842847495 /nfs/dbraw/zinc/84/74/95/842847495.db2.gz VKBKWYUOJCQEHE-AWEZNQCLSA-N 1 2 378.929 3.597 20 30 GHEDLO N#Cc1ccc(Oc2ccc(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)cc2)nc1 ZINC000609498245 842880348 /nfs/dbraw/zinc/88/03/48/842880348.db2.gz JIVMUJBGZZQSDX-UHFFFAOYSA-N 1 2 399.454 3.671 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N[C@H](C)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000329410980 861387660 /nfs/dbraw/zinc/38/76/60/861387660.db2.gz DUJISPAJJGACGU-LVCVYDAWSA-N 1 2 383.414 3.951 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N[C@H](C)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000329410980 861387674 /nfs/dbraw/zinc/38/76/74/861387674.db2.gz DUJISPAJJGACGU-LVCVYDAWSA-N 1 2 383.414 3.951 20 30 GHEDLO O=C(C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1)Nc1nc2c(s1)CCC2 ZINC000329426657 861404658 /nfs/dbraw/zinc/40/46/58/861404658.db2.gz IWZQHKDJGDVRGG-UHFFFAOYSA-N 1 2 399.442 3.772 20 30 GHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)[C@H](C)c2ccco2)c1C#N ZINC000069068830 843451443 /nfs/dbraw/zinc/45/14/43/843451443.db2.gz ZOORBAYLQZFWEX-MRXNPFEDSA-N 1 2 380.448 3.842 20 30 GHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)[C@H](C)c2ccco2)c1C#N ZINC000069068830 843451446 /nfs/dbraw/zinc/45/14/46/843451446.db2.gz ZOORBAYLQZFWEX-MRXNPFEDSA-N 1 2 380.448 3.842 20 30 GHEDLO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1nc(C(F)(F)F)cs1 ZINC000278893815 843584771 /nfs/dbraw/zinc/58/47/71/843584771.db2.gz JCBRBHILJWVESJ-QMMMGPOBSA-N 1 2 388.802 3.976 20 30 GHEDLO CN(C(=O)C[NH+]1CCC(F)(C#N)CC1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000510900631 843765469 /nfs/dbraw/zinc/76/54/69/843765469.db2.gz DSDHHDOKKGUAHD-NRFANRHFSA-N 1 2 383.442 3.701 20 30 GHEDLO N#Cc1c(NC(=O)C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)sc2c1CCCCC2 ZINC000411943040 843942300 /nfs/dbraw/zinc/94/23/00/843942300.db2.gz MLOCRPORKJERRB-VQIMIIECSA-N 1 2 395.528 3.635 20 30 GHEDLO N#Cc1c(NC(=O)C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)sc2c1CCCCC2 ZINC000411943040 843942307 /nfs/dbraw/zinc/94/23/07/843942307.db2.gz MLOCRPORKJERRB-VQIMIIECSA-N 1 2 395.528 3.635 20 30 GHEDLO CCOc1ccc([C@H]2CCC[N@@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000176197557 844819837 /nfs/dbraw/zinc/81/98/37/844819837.db2.gz IYCFUSPIKCLZTR-OAQYLSRUSA-N 1 2 384.501 3.568 20 30 GHEDLO CCOc1ccc([C@H]2CCC[N@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000176197557 844819842 /nfs/dbraw/zinc/81/98/42/844819842.db2.gz IYCFUSPIKCLZTR-OAQYLSRUSA-N 1 2 384.501 3.568 20 30 GHEDLO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)s1 ZINC000512631231 844824370 /nfs/dbraw/zinc/82/43/70/844824370.db2.gz QATWRZLFQHNLHI-ZDUSSCGKSA-N 1 2 395.525 3.640 20 30 GHEDLO C=CCn1c(SCCn2cc[nH+]c2)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000215733373 845109997 /nfs/dbraw/zinc/10/99/97/845109997.db2.gz OGQGVKCOBPXMPP-ZDUSSCGKSA-N 1 2 386.546 3.758 20 30 GHEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCO[C@H](c3cccs3)C1)CCC2 ZINC000157567937 846004089 /nfs/dbraw/zinc/00/40/89/846004089.db2.gz QJFAFLATZBZSLZ-HNNXBMFYSA-N 1 2 387.530 3.572 20 30 GHEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCO[C@H](c3cccs3)C1)CCC2 ZINC000157567937 846004094 /nfs/dbraw/zinc/00/40/94/846004094.db2.gz QJFAFLATZBZSLZ-HNNXBMFYSA-N 1 2 387.530 3.572 20 30 GHEDLO N#Cc1ccc(C2=CC[N@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)CC2)cc1 ZINC000502530838 846162602 /nfs/dbraw/zinc/16/26/02/846162602.db2.gz RVEHGVQUDHGELG-UHFFFAOYSA-N 1 2 387.399 3.806 20 30 GHEDLO N#Cc1ccc(C2=CC[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)CC2)cc1 ZINC000502530838 846162607 /nfs/dbraw/zinc/16/26/07/846162607.db2.gz RVEHGVQUDHGELG-UHFFFAOYSA-N 1 2 387.399 3.806 20 30 GHEDLO CC(C)Oc1ccc(NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)cc1C#N ZINC000157781728 846178896 /nfs/dbraw/zinc/17/88/96/846178896.db2.gz LPNCDVNEUAZGMC-KRWDZBQOSA-N 1 2 393.491 3.651 20 30 GHEDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(OC)c1 ZINC000502545244 846183345 /nfs/dbraw/zinc/18/33/45/846183345.db2.gz SZLUECDQAIEEKY-MRXNPFEDSA-N 1 2 391.471 3.692 20 30 GHEDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(OC)c1 ZINC000502545244 846183349 /nfs/dbraw/zinc/18/33/49/846183349.db2.gz SZLUECDQAIEEKY-MRXNPFEDSA-N 1 2 391.471 3.692 20 30 GHEDLO N#Cc1cnc(Sc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)c(Cl)c1 ZINC000513640744 846183978 /nfs/dbraw/zinc/18/39/78/846183978.db2.gz RLEOCUQYJHZPHR-UHFFFAOYSA-N 1 2 396.907 3.934 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCC([NH2+][C@H](CCC(=O)[O-])Cc3ccccc3)CC2)cc1 ZINC000263516861 846268639 /nfs/dbraw/zinc/26/86/39/846268639.db2.gz PCEBCERDBQHBDE-HSZRJFAPSA-N 1 2 391.515 3.588 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](OC(F)F)C2)c1 ZINC000611577444 846379629 /nfs/dbraw/zinc/37/96/29/846379629.db2.gz JDVXMKXIVWPKEW-SJLPKXTDSA-N 1 2 379.451 3.642 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC[C@@H](OC(F)F)C2)c1 ZINC000611577444 846379640 /nfs/dbraw/zinc/37/96/40/846379640.db2.gz JDVXMKXIVWPKEW-SJLPKXTDSA-N 1 2 379.451 3.642 20 30 GHEDLO CCC[N@H+](CC(=O)N(CCC#N)c1ccccc1)[C@H](C)C(=O)Nc1ccccc1 ZINC000502900820 846613019 /nfs/dbraw/zinc/61/30/19/846613019.db2.gz AKRQUZMCDQYNQO-LJQANCHMSA-N 1 2 392.503 3.672 20 30 GHEDLO CCC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)[C@H](C)C(=O)Nc1ccccc1 ZINC000502900820 846613022 /nfs/dbraw/zinc/61/30/22/846613022.db2.gz AKRQUZMCDQYNQO-LJQANCHMSA-N 1 2 392.503 3.672 20 30 GHEDLO C=C(CNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000501098790 846639559 /nfs/dbraw/zinc/63/95/59/846639559.db2.gz NFYXHSPKFPCHKF-SFTDATJTSA-N 1 2 399.922 3.724 20 30 GHEDLO C=C(CNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000501098790 846639561 /nfs/dbraw/zinc/63/95/61/846639561.db2.gz NFYXHSPKFPCHKF-SFTDATJTSA-N 1 2 399.922 3.724 20 30 GHEDLO CCOC(=O)c1csc([C@H](C#N)C(=O)c2cccc(C[NH+]3CCCCC3)c2)n1 ZINC000420246145 847071822 /nfs/dbraw/zinc/07/18/22/847071822.db2.gz RSJWENIWHCYKHQ-QGZVFWFLSA-N 1 2 397.500 3.796 20 30 GHEDLO N#Cc1cccc(C2(NC(=O)NCC[N@H+]3CCc4c(Cl)cccc4C3)CC2)c1 ZINC000502397316 847860637 /nfs/dbraw/zinc/86/06/37/847860637.db2.gz FQNQXWXCDFIWFZ-UHFFFAOYSA-N 1 2 394.906 3.558 20 30 GHEDLO N#Cc1cccc(C2(NC(=O)NCC[N@@H+]3CCc4c(Cl)cccc4C3)CC2)c1 ZINC000502397316 847860644 /nfs/dbraw/zinc/86/06/44/847860644.db2.gz FQNQXWXCDFIWFZ-UHFFFAOYSA-N 1 2 394.906 3.558 20 30 GHEDLO N#Cc1ccccc1/C=C\C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000728499702 847952763 /nfs/dbraw/zinc/95/27/63/847952763.db2.gz ZDZHWQHFKADMAU-KHPPLWFESA-N 1 2 396.454 3.847 20 30 GHEDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC1 ZINC000180259190 862043482 /nfs/dbraw/zinc/04/34/82/862043482.db2.gz ANLZRNPKEUAHIU-QGZVFWFLSA-N 1 2 377.463 3.900 20 30 GHEDLO C[C@H](Oc1ccccc1C#N)C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000029781788 862071654 /nfs/dbraw/zinc/07/16/54/862071654.db2.gz NLEBNGRCPKMTAD-HNNXBMFYSA-N 1 2 384.505 3.653 20 30 GHEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc(Cl)ccc1OC1CCCC1 ZINC000434976810 849964811 /nfs/dbraw/zinc/96/48/11/849964811.db2.gz DYZMVSFKUMDWGE-UHFFFAOYSA-N 1 2 391.943 3.709 20 30 GHEDLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C#N)cc1C ZINC000439789419 850404459 /nfs/dbraw/zinc/40/44/59/850404459.db2.gz ZPWPPDWOBFRPTI-SBUREZEXSA-N 1 2 390.531 3.943 20 30 GHEDLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C#N)cc1C ZINC000439789419 850404461 /nfs/dbraw/zinc/40/44/61/850404461.db2.gz ZPWPPDWOBFRPTI-SBUREZEXSA-N 1 2 390.531 3.943 20 30 GHEDLO COc1ccc(Br)cc1C[N@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000506779239 850885504 /nfs/dbraw/zinc/88/55/04/850885504.db2.gz STPQYMQMGGIMOX-UHFFFAOYSA-N 1 2 385.265 3.609 20 30 GHEDLO COc1ccc(Br)cc1C[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000506779239 850885508 /nfs/dbraw/zinc/88/55/08/850885508.db2.gz STPQYMQMGGIMOX-UHFFFAOYSA-N 1 2 385.265 3.609 20 30 GHEDLO Cc1ccc([C@@H]([NH2+]CC#Cc2cccc(Cl)c2)[C@H](C)S(C)(=O)=O)cc1 ZINC000435910555 850979666 /nfs/dbraw/zinc/97/96/66/850979666.db2.gz XRVVBQYBIDGUDC-JXFKEZNVSA-N 1 2 375.921 3.764 20 30 GHEDLO Cc1ccccc1O[C@@H](C)C(=O)N1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000426622000 851003411 /nfs/dbraw/zinc/00/34/11/851003411.db2.gz ANAWLNZVCUHENN-OALUTQOASA-N 1 2 377.488 3.539 20 30 GHEDLO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCO[C@](C)(C#N)C2)n1 ZINC000896859558 862214270 /nfs/dbraw/zinc/21/42/70/862214270.db2.gz VJPBOXVHIQMYJT-OAQYLSRUSA-N 1 2 393.516 3.539 20 30 GHEDLO CC[N@H+](CCC(F)(F)F)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000604525297 862247109 /nfs/dbraw/zinc/24/71/09/862247109.db2.gz IYGGGGCDJCLWMT-UHFFFAOYSA-N 1 2 396.413 3.831 20 30 GHEDLO CC[N@@H+](CCC(F)(F)F)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000604525297 862247128 /nfs/dbraw/zinc/24/71/28/862247128.db2.gz IYGGGGCDJCLWMT-UHFFFAOYSA-N 1 2 396.413 3.831 20 30 GHEDLO COC(=O)C[N@H+](CCCC1(C#N)CCOCC1)Cc1ccc(C(F)(F)F)cc1 ZINC000281230983 851509775 /nfs/dbraw/zinc/50/97/75/851509775.db2.gz FJZUJXUUTYPOJE-UHFFFAOYSA-N 1 2 398.425 3.781 20 30 GHEDLO COC(=O)C[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccc(C(F)(F)F)cc1 ZINC000281230983 851509784 /nfs/dbraw/zinc/50/97/84/851509784.db2.gz FJZUJXUUTYPOJE-UHFFFAOYSA-N 1 2 398.425 3.781 20 30 GHEDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000732435201 862290211 /nfs/dbraw/zinc/29/02/11/862290211.db2.gz METITUVLUKATGS-NRFANRHFSA-N 1 2 387.487 3.914 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)c(Br)c1 ZINC000488967345 851899075 /nfs/dbraw/zinc/89/90/75/851899075.db2.gz OJCRTFSKPVSDOA-OAHLLOKOSA-N 1 2 390.256 3.898 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)c(Br)c1 ZINC000488967345 851899080 /nfs/dbraw/zinc/89/90/80/851899080.db2.gz OJCRTFSKPVSDOA-OAHLLOKOSA-N 1 2 390.256 3.898 20 30 GHEDLO CC1(C)CN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)[C@@H]1[C@H]1CCCO1 ZINC000329863116 862381603 /nfs/dbraw/zinc/38/16/03/862381603.db2.gz YXKRZLMVVCAYKD-HZPDHXFCSA-N 1 2 378.542 3.564 20 30 GHEDLO COc1ccc(C#N)cc1NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000426103032 852697766 /nfs/dbraw/zinc/69/77/66/852697766.db2.gz UGBMXVRWZIDRCL-FPOVZHCZSA-N 1 2 387.443 3.814 20 30 GHEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000180883262 862388275 /nfs/dbraw/zinc/38/82/75/862388275.db2.gz HQSVJKKTWUAYJX-CYBMUJFWSA-N 1 2 388.562 3.546 20 30 GHEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000180883262 862388284 /nfs/dbraw/zinc/38/82/84/862388284.db2.gz HQSVJKKTWUAYJX-CYBMUJFWSA-N 1 2 388.562 3.546 20 30 GHEDLO N#Cc1csc(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)c1 ZINC000437553097 853252432 /nfs/dbraw/zinc/25/24/32/853252432.db2.gz CNKLPJLHBMKMHL-UHFFFAOYSA-N 1 2 376.445 3.509 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1 ZINC000517264574 853594660 /nfs/dbraw/zinc/59/46/60/853594660.db2.gz KPJGVEZLYXHKRO-IFMALSPDSA-N 1 2 381.520 3.584 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1 ZINC000517264574 853594666 /nfs/dbraw/zinc/59/46/66/853594666.db2.gz KPJGVEZLYXHKRO-IFMALSPDSA-N 1 2 381.520 3.584 20 30 GHEDLO N#Cc1ccc(CSc2ccccc2C(=O)N[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC000587050975 853633519 /nfs/dbraw/zinc/63/35/19/853633519.db2.gz GGPKDBJXVQLHGF-SFHVURJKSA-N 1 2 388.496 3.792 20 30 GHEDLO O=C(NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)N[C@@H]1CCOC2(CCCC2)C1 ZINC000329994994 862489722 /nfs/dbraw/zinc/48/97/22/862489722.db2.gz ZTSWQIGKVJCDBZ-BBWFWOEESA-N 1 2 395.544 3.656 20 30 GHEDLO O=C(NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)N[C@@H]1CCOC2(CCCC2)C1 ZINC000329994994 862489728 /nfs/dbraw/zinc/48/97/28/862489728.db2.gz ZTSWQIGKVJCDBZ-BBWFWOEESA-N 1 2 395.544 3.656 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](C)[C@@H](CO)c1ccc(OC)cc1 ZINC000112995953 854383468 /nfs/dbraw/zinc/38/34/68/854383468.db2.gz YAMRVAHLWGMYAV-IBGZPJMESA-N 1 2 386.517 3.577 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@H+](C)[C@@H](CO)c1ccc(OC)cc1 ZINC000112995953 854383476 /nfs/dbraw/zinc/38/34/76/854383476.db2.gz YAMRVAHLWGMYAV-IBGZPJMESA-N 1 2 386.517 3.577 20 30 GHEDLO C[C@@H](C1CC1)n1cc(NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000328659679 854493473 /nfs/dbraw/zinc/49/34/73/854493473.db2.gz TZRFCIODSHRDEL-RDJZCZTQSA-N 1 2 382.512 3.812 20 30 GHEDLO Cn1ncc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1C1CC1 ZINC000328829608 854563856 /nfs/dbraw/zinc/56/38/56/854563856.db2.gz KFNDUUUJIVYRDQ-FUHWJXTLSA-N 1 2 376.863 3.840 20 30 GHEDLO Cn1ncc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1C1CC1 ZINC000328829608 854563862 /nfs/dbraw/zinc/56/38/62/854563862.db2.gz KFNDUUUJIVYRDQ-FUHWJXTLSA-N 1 2 376.863 3.840 20 30 GHEDLO C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000328870892 854591673 /nfs/dbraw/zinc/59/16/73/854591673.db2.gz PVCPBQFCOVGYDU-LLVKDONJSA-N 1 2 399.369 3.543 20 30 GHEDLO C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000328870892 854591679 /nfs/dbraw/zinc/59/16/79/854591679.db2.gz PVCPBQFCOVGYDU-LLVKDONJSA-N 1 2 399.369 3.543 20 30 GHEDLO Cc1cccc(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)c1Cl ZINC000328996906 854645607 /nfs/dbraw/zinc/64/56/07/854645607.db2.gz GSHBAILRBQTBIE-DNVCBOLYSA-N 1 2 386.883 3.581 20 30 GHEDLO CC[C@@H]1C[N@H+](CC(=O)N[C@H](c2ccc(F)cc2)C(C)C)C[C@]2(CCOC2)O1 ZINC000330165845 862628918 /nfs/dbraw/zinc/62/89/18/862628918.db2.gz XIXIONGBMMKKBS-GIVPXCGWSA-N 1 2 378.488 3.749 20 30 GHEDLO CC[C@@H]1C[N@@H+](CC(=O)N[C@H](c2ccc(F)cc2)C(C)C)C[C@]2(CCOC2)O1 ZINC000330165845 862628926 /nfs/dbraw/zinc/62/89/26/862628926.db2.gz XIXIONGBMMKKBS-GIVPXCGWSA-N 1 2 378.488 3.749 20 30 GHEDLO N#CCCOCCN1CC[NH+]([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000590157805 855302552 /nfs/dbraw/zinc/30/25/52/855302552.db2.gz LPOFLROAJGXZFW-JOCHJYFZSA-N 1 2 383.923 3.977 20 30 GHEDLO C=CC[N@H+](CC(=O)Nc1ccnn1Cc1cccs1)Cc1ccc(OC)cc1 ZINC000056291312 855513702 /nfs/dbraw/zinc/51/37/02/855513702.db2.gz ILXNKARIQRLNIV-UHFFFAOYSA-N 1 2 396.516 3.628 20 30 GHEDLO C=CC[N@@H+](CC(=O)Nc1ccnn1Cc1cccs1)Cc1ccc(OC)cc1 ZINC000056291312 855513705 /nfs/dbraw/zinc/51/37/05/855513705.db2.gz ILXNKARIQRLNIV-UHFFFAOYSA-N 1 2 396.516 3.628 20 30 GHEDLO N#CC[C@@H]1CC[C@H](NC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000590831677 855600820 /nfs/dbraw/zinc/60/08/20/855600820.db2.gz VBKJSRYLVDYWLI-MPGHIAIKSA-N 1 2 392.906 3.998 20 30 GHEDLO CC(C)(C)c1csc(NC(=O)C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1C#N ZINC000573271553 856036460 /nfs/dbraw/zinc/03/64/60/856036460.db2.gz QBMCUDFFKSQXMA-UHFFFAOYSA-N 1 2 393.472 3.680 20 30 GHEDLO Cc1ccc(C(=O)C2CC[NH+](CC(=O)N(C)C3(C#N)CCCCC3)CC2)c(C)c1 ZINC000026641167 856064808 /nfs/dbraw/zinc/06/48/08/856064808.db2.gz PRQUALOTVZAQMZ-UHFFFAOYSA-N 1 2 395.547 3.883 20 30 GHEDLO N#Cc1c2c(sc1NC(=O)C[N@@H+]1CC[C@H](c3cccnc3)C1)CCCCC2 ZINC000573363367 856065904 /nfs/dbraw/zinc/06/59/04/856065904.db2.gz SMXXSHIZCYRCCW-INIZCTEOSA-N 1 2 380.517 3.712 20 30 GHEDLO N#Cc1c2c(sc1NC(=O)C[N@H+]1CC[C@H](c3cccnc3)C1)CCCCC2 ZINC000573363367 856065912 /nfs/dbraw/zinc/06/59/12/856065912.db2.gz SMXXSHIZCYRCCW-INIZCTEOSA-N 1 2 380.517 3.712 20 30 GHEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)N[C@@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000509224253 856239615 /nfs/dbraw/zinc/23/96/15/856239615.db2.gz IGAMSDWHHPVTCF-ROUUACIJSA-N 1 2 392.503 3.716 20 30 GHEDLO N#CC[C@]1(O)CC[N@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000592524223 856919312 /nfs/dbraw/zinc/91/93/12/856919312.db2.gz WLRJZIKTLGSRCK-IBGZPJMESA-N 1 2 387.823 3.891 20 30 GHEDLO N#CC[C@]1(O)CC[N@@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000592524223 856919314 /nfs/dbraw/zinc/91/93/14/856919314.db2.gz WLRJZIKTLGSRCK-IBGZPJMESA-N 1 2 387.823 3.891 20 30 GHEDLO N#Cc1c(NC(=O)C[NH+]2CCC3(CC3(F)F)CC2)sc2c1CCCCC2 ZINC000593071817 857335924 /nfs/dbraw/zinc/33/59/24/857335924.db2.gz BSKQWHDQJUFUCQ-UHFFFAOYSA-N 1 2 379.476 3.948 20 30 GHEDLO Cc1sc(NC(=O)C[N@H+](CCCO)Cc2cccc(Cl)c2)c(C#N)c1C ZINC000134290783 862922456 /nfs/dbraw/zinc/92/24/56/862922456.db2.gz XWTLKWDXDGPSSC-UHFFFAOYSA-N 1 2 391.924 3.713 20 30 GHEDLO Cc1sc(NC(=O)C[N@@H+](CCCO)Cc2cccc(Cl)c2)c(C#N)c1C ZINC000134290783 862922462 /nfs/dbraw/zinc/92/24/62/862922462.db2.gz XWTLKWDXDGPSSC-UHFFFAOYSA-N 1 2 391.924 3.713 20 30 GHEDLO N#Cc1cnn2cc(C[N@H+]3CCC[C@@H]3c3ccccc3Br)cnc12 ZINC000592504051 857593393 /nfs/dbraw/zinc/59/33/93/857593393.db2.gz GOOYKZJPNPKONN-QGZVFWFLSA-N 1 2 382.265 3.701 20 30 GHEDLO N#Cc1cnn2cc(C[N@@H+]3CCC[C@@H]3c3ccccc3Br)cnc12 ZINC000592504051 857593403 /nfs/dbraw/zinc/59/34/03/857593403.db2.gz GOOYKZJPNPKONN-QGZVFWFLSA-N 1 2 382.265 3.701 20 30 GHEDLO N#CCCCOc1ccc[nH+]c1NCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000466631575 862937452 /nfs/dbraw/zinc/93/74/52/862937452.db2.gz ZITFRONNTOBDCP-UHFFFAOYSA-N 1 2 386.818 3.749 20 30 GHEDLO C[C@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000595514496 858549811 /nfs/dbraw/zinc/54/98/11/858549811.db2.gz HXKBDHPMZGPSDT-CJNGLKHVSA-N 1 2 384.867 3.521 20 30 GHEDLO C[C@H](c1nc2ccc(Cl)cc2[nH]1)[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000595514496 858549814 /nfs/dbraw/zinc/54/98/14/858549814.db2.gz HXKBDHPMZGPSDT-CJNGLKHVSA-N 1 2 384.867 3.521 20 30 GHEDLO COc1ccc(-c2csc(NC(=O)[C@@H](C)[N@@H+]3CCC[C@@H](CC#N)C3)n2)cc1 ZINC000595619502 858619463 /nfs/dbraw/zinc/61/94/63/858619463.db2.gz CAWIPKJIWFWXKY-CABCVRRESA-N 1 2 384.505 3.771 20 30 GHEDLO COc1ccc(-c2csc(NC(=O)[C@@H](C)[N@H+]3CCC[C@@H](CC#N)C3)n2)cc1 ZINC000595619502 858619474 /nfs/dbraw/zinc/61/94/74/858619474.db2.gz CAWIPKJIWFWXKY-CABCVRRESA-N 1 2 384.505 3.771 20 30 GHEDLO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+][C@H](C)c2cscn2)c1C#N ZINC000595667755 858642610 /nfs/dbraw/zinc/64/26/10/858642610.db2.gz IPESWBQMDPVGSF-OAHLLOKOSA-N 1 2 393.516 3.771 20 30 GHEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000595716199 858656685 /nfs/dbraw/zinc/65/66/85/858656685.db2.gz WWBZGIAKOXMDDV-MRXNPFEDSA-N 1 2 394.544 3.899 20 30 GHEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000595716199 858656691 /nfs/dbraw/zinc/65/66/91/858656691.db2.gz WWBZGIAKOXMDDV-MRXNPFEDSA-N 1 2 394.544 3.899 20 30 GHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(CCC(=O)OC(C)(C)C)CC1 ZINC000595719405 858658411 /nfs/dbraw/zinc/65/84/11/858658411.db2.gz SWGSGSJHSDUNPZ-FQEVSTJZSA-N 1 2 386.492 3.606 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595781060 858684970 /nfs/dbraw/zinc/68/49/70/858684970.db2.gz PXJLNGWOEOKQHK-QLFBSQMISA-N 1 2 375.538 3.715 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595781060 858684975 /nfs/dbraw/zinc/68/49/75/858684975.db2.gz PXJLNGWOEOKQHK-QLFBSQMISA-N 1 2 375.538 3.715 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc(CNc3ccc(C#N)cc3)n2)O1 ZINC000596614362 858969813 /nfs/dbraw/zinc/96/98/13/858969813.db2.gz PZTZRFURNYUOLX-UZLBHIALSA-N 1 2 389.459 3.515 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc(CNc3ccc(C#N)cc3)n2)O1 ZINC000596614362 858969818 /nfs/dbraw/zinc/96/98/18/858969818.db2.gz PZTZRFURNYUOLX-UZLBHIALSA-N 1 2 389.459 3.515 20 30 GHEDLO C=CCCSCCNC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000596701900 859018035 /nfs/dbraw/zinc/01/80/35/859018035.db2.gz ZDRIGFKRYCRAMD-IRXDYDNUSA-N 1 2 377.554 3.727 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000193199091 859146197 /nfs/dbraw/zinc/14/61/97/859146197.db2.gz IGHBFWUZWFJIPU-CABCVRRESA-N 1 2 383.414 3.605 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000193199091 859146202 /nfs/dbraw/zinc/14/62/02/859146202.db2.gz IGHBFWUZWFJIPU-CABCVRRESA-N 1 2 383.414 3.605 20 30 GHEDLO CN(Cc1ccccc1)C(=O)N1CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596988662 859228621 /nfs/dbraw/zinc/22/86/21/859228621.db2.gz JTOWHIIYFNKTMM-UHFFFAOYSA-N 1 2 388.515 3.611 20 30 GHEDLO COc1ccc(C(N)=[NH+]OCc2csc(Cc3ccccc3)n2)cc1OC ZINC000060453650 859293963 /nfs/dbraw/zinc/29/39/63/859293963.db2.gz ZQZIWVUDVCZQCH-UHFFFAOYSA-N 1 2 383.473 3.588 20 30 GHEDLO FC(F)C(F)(F)CN1CC[NH+](CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000114491210 859640515 /nfs/dbraw/zinc/64/05/15/859640515.db2.gz YQHIFJXJCKHIKV-UHFFFAOYSA-N 1 2 388.327 3.602 20 30 GHEDLO CC[C@@H](c1nnc(SC[C@H](O)CC2(C#N)CC2)n1C1CCCCC1)[NH+](C)C ZINC000601954295 859657318 /nfs/dbraw/zinc/65/73/18/859657318.db2.gz QQOMJHLKXZKJDQ-SJORKVTESA-N 1 2 391.585 3.943 20 30 GHEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2ccccc2OCC2CC2)CC1 ZINC000611259674 859670143 /nfs/dbraw/zinc/67/01/43/859670143.db2.gz AWUCLFFTNHJMIY-UHFFFAOYSA-N 1 2 378.476 3.535 20 30 GHEDLO C=CCOc1ccc(-c2nn(C[N@H+](CC)C[C@H]3CCOC3)c(=S)o2)cc1 ZINC000765007996 859734791 /nfs/dbraw/zinc/73/47/91/859734791.db2.gz HTXIARMCESXARP-OAHLLOKOSA-N 1 2 375.494 3.753 20 30 GHEDLO C=CCOc1ccc(-c2nn(C[N@@H+](CC)C[C@H]3CCOC3)c(=S)o2)cc1 ZINC000765007996 859734796 /nfs/dbraw/zinc/73/47/96/859734796.db2.gz HTXIARMCESXARP-OAHLLOKOSA-N 1 2 375.494 3.753 20 30 GHEDLO C#CCOc1ccc(F)cc1NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000765191059 859822802 /nfs/dbraw/zinc/82/28/02/859822802.db2.gz CLRXBSLGSGGTED-OAHLLOKOSA-N 1 2 387.480 3.810 20 30 GHEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000118396441 859832448 /nfs/dbraw/zinc/83/24/48/859832448.db2.gz IBCLENDDRAYIEZ-HNNXBMFYSA-N 1 2 398.304 3.840 20 30 GHEDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000727494335 860108531 /nfs/dbraw/zinc/10/85/31/860108531.db2.gz QNJJIASKBSOMCB-FQEVSTJZSA-N 1 2 392.459 3.771 20 30 GHEDLO N#Cc1ccc2ncc(C[NH+]3CCC(C(=O)c4c(F)cc(F)cc4F)CC3)n2c1 ZINC000093440767 860272786 /nfs/dbraw/zinc/27/27/86/860272786.db2.gz QSPDXQDVYKCNGC-UHFFFAOYSA-N 1 2 398.388 3.718 20 30 GHEDLO C=CCOc1ccc(-c2nn(C[N@H+](C[C@H]3CCOC3)C3CC3)c(=S)o2)cc1 ZINC000153023155 881535220 /nfs/dbraw/zinc/53/52/20/881535220.db2.gz GTLJAUSZGRFSPL-OAHLLOKOSA-N 1 2 387.505 3.896 20 30 GHEDLO C=CCOc1ccc(-c2nn(C[N@@H+](C[C@H]3CCOC3)C3CC3)c(=S)o2)cc1 ZINC000153023155 881535305 /nfs/dbraw/zinc/53/53/05/881535305.db2.gz GTLJAUSZGRFSPL-OAHLLOKOSA-N 1 2 387.505 3.896 20 30 GHEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H](c3ccsc3)C2)cc1Cl ZINC000126299233 861013984 /nfs/dbraw/zinc/01/39/84/861013984.db2.gz WXBTVPNGDSAVKX-QGZVFWFLSA-N 1 2 375.881 3.675 20 30 GHEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@@H](c3ccsc3)C2)cc1Cl ZINC000126299233 861014003 /nfs/dbraw/zinc/01/40/03/861014003.db2.gz WXBTVPNGDSAVKX-QGZVFWFLSA-N 1 2 375.881 3.675 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@@H]2CCCc3nn(C)cc32)C[C@H](C)O1 ZINC000329232845 861178683 /nfs/dbraw/zinc/17/86/83/861178683.db2.gz GJUWXGVLOVJVBA-SOLBZPMBSA-N 1 2 382.508 3.737 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@@H]2CCCc3nn(C)cc32)C[C@H](C)O1 ZINC000329232845 861178690 /nfs/dbraw/zinc/17/86/90/861178690.db2.gz GJUWXGVLOVJVBA-SOLBZPMBSA-N 1 2 382.508 3.737 20 30 GHEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)c(O)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249131426 863374877 /nfs/dbraw/zinc/37/48/77/863374877.db2.gz VWSLGVUKYHOEEL-IEBWSBKVSA-N 1 2 387.842 3.622 20 30 GHEDLO CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)c(O)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249131426 863374890 /nfs/dbraw/zinc/37/48/90/863374890.db2.gz VWSLGVUKYHOEEL-IEBWSBKVSA-N 1 2 387.842 3.622 20 30 GHEDLO N#Cc1ccc(Nc2cccc(C(=O)N3CC[C@H](Oc4cc[nH+]cc4)C3)c2)cc1 ZINC000120597447 881682930 /nfs/dbraw/zinc/68/29/30/881682930.db2.gz HXQCDFGPYBRHRY-QFIPXVFZSA-N 1 2 384.439 3.990 20 30 GHEDLO C=CCc1cc(C[N@H+](Cc2nc3ccccc3c(=O)[nH]2)C(C)C)cc(OC)c1O ZINC000158503739 863853190 /nfs/dbraw/zinc/85/31/90/863853190.db2.gz SFUWBYVEKVAWFE-UHFFFAOYSA-N 1 2 393.487 3.776 20 30 GHEDLO C=CCc1cc(C[N@@H+](Cc2nc3ccccc3c(=O)[nH]2)C(C)C)cc(OC)c1O ZINC000158503739 863853202 /nfs/dbraw/zinc/85/32/02/863853202.db2.gz SFUWBYVEKVAWFE-UHFFFAOYSA-N 1 2 393.487 3.776 20 30 GHEDLO Cc1ccccc1OCCO[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000072078548 864444223 /nfs/dbraw/zinc/44/42/23/864444223.db2.gz IPEDLQWTIVAVPS-UHFFFAOYSA-N 1 2 377.444 3.685 20 30 GHEDLO Cc1ccc(C)c(OCCO[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)c1 ZINC000072078550 864444304 /nfs/dbraw/zinc/44/43/04/864444304.db2.gz MKOGSFGIWXPTMY-UHFFFAOYSA-N 1 2 391.471 3.993 20 30 GHEDLO C=CC[N@@H+](CC(=O)NC(=O)Nc1ccc(C)c(C)c1)Cc1cccc(C#N)c1 ZINC000063300453 864497952 /nfs/dbraw/zinc/49/79/52/864497952.db2.gz ZVEWHNBRHRZZTD-UHFFFAOYSA-N 1 2 376.460 3.511 20 30 GHEDLO C=CC[N@H+](CC(=O)NC(=O)Nc1ccc(C)c(C)c1)Cc1cccc(C#N)c1 ZINC000063300453 864497956 /nfs/dbraw/zinc/49/79/56/864497956.db2.gz ZVEWHNBRHRZZTD-UHFFFAOYSA-N 1 2 376.460 3.511 20 30 GHEDLO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1nc(-c2ccccc2)cs1 ZINC000184522810 864625880 /nfs/dbraw/zinc/62/58/80/864625880.db2.gz VKDSRUILCXMZDR-HNNXBMFYSA-N 1 2 397.525 3.806 20 30 GHEDLO COc1ccc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c(OC)c1 ZINC000475342041 864817551 /nfs/dbraw/zinc/81/75/51/864817551.db2.gz JTIIBKCEYXVCOL-HXUWFJFHSA-N 1 2 385.895 3.740 20 30 GHEDLO CC(C)c1noc(CO[NH+]=C(N)c2ccc(COc3ccccc3F)cc2)n1 ZINC000736299410 865180888 /nfs/dbraw/zinc/18/08/88/865180888.db2.gz LFKUXBKVWYASHO-UHFFFAOYSA-N 1 2 384.411 3.748 20 30 GHEDLO O=C(Cc1c[nH+]cn1Cc1ccccc1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000554968397 865269734 /nfs/dbraw/zinc/26/97/34/865269734.db2.gz UQFRWSYHYLNVAD-UHFFFAOYSA-N 1 2 392.462 3.907 20 30 GHEDLO C=CCc1cc(CNC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cc(OC)c1OC ZINC000475449504 865479295 /nfs/dbraw/zinc/47/92/95/865479295.db2.gz LMVNYWQSDKOVOW-QGZVFWFLSA-N 1 2 397.519 3.700 20 30 GHEDLO C=CCc1cc(CNC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cc(OC)c1OC ZINC000475449504 865479300 /nfs/dbraw/zinc/47/93/00/865479300.db2.gz LMVNYWQSDKOVOW-QGZVFWFLSA-N 1 2 397.519 3.700 20 30 GHEDLO CCc1ccc(C[NH+]2CCN(C(=O)[C@@H](C)Cc3ccc(C#N)cc3)CC2)s1 ZINC000594294585 865723498 /nfs/dbraw/zinc/72/34/98/865723498.db2.gz MGFPOFQTXIKURJ-KRWDZBQOSA-N 1 2 381.545 3.705 20 30 GHEDLO C=C(C)COc1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000608947465 865852006 /nfs/dbraw/zinc/85/20/06/865852006.db2.gz ZXNVMAKTIBZOPS-UHFFFAOYSA-N 1 2 378.388 3.988 20 30 GHEDLO CCc1ccc(O[C@H](C)C(=O)N2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000609916561 866142115 /nfs/dbraw/zinc/14/21/15/866142115.db2.gz RUOXRQRXGKLGNY-RTBURBONSA-N 1 2 391.515 3.793 20 30 GHEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000067523802 866192705 /nfs/dbraw/zinc/19/27/05/866192705.db2.gz IYEFIHWPJGSJQF-OAQYLSRUSA-N 1 2 392.434 3.603 20 30 GHEDLO N#Cc1cc(F)c(S(=O)(=O)N(Cc2ccccc2)c2cc[nH+]cc2)c(F)c1 ZINC000151927156 866271780 /nfs/dbraw/zinc/27/17/80/866271780.db2.gz BHMZTVWNPXNRLO-UHFFFAOYSA-N 1 2 385.395 3.627 20 30 GHEDLO Cc1ccccc1[C@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCO1 ZINC000741801808 866824781 /nfs/dbraw/zinc/82/47/81/866824781.db2.gz LKRMYFQTZBBMME-SIKLNZKXSA-N 1 2 398.466 3.606 20 30 GHEDLO Cc1ccccc1[C@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCO1 ZINC000741801808 866824795 /nfs/dbraw/zinc/82/47/95/866824795.db2.gz LKRMYFQTZBBMME-SIKLNZKXSA-N 1 2 398.466 3.606 20 30 GHEDLO C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1cc(F)cc(F)c1 ZINC000444690093 867069668 /nfs/dbraw/zinc/06/96/68/867069668.db2.gz IRLOIGWNKLLSRQ-UHFFFAOYSA-N 1 2 396.359 3.583 20 30 GHEDLO C[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1cc(F)cc(F)c1 ZINC000444690093 867069682 /nfs/dbraw/zinc/06/96/82/867069682.db2.gz IRLOIGWNKLLSRQ-UHFFFAOYSA-N 1 2 396.359 3.583 20 30 GHEDLO CC[N@H+](Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)[C@@H](C)c1cccc(C#N)c1 ZINC000442689268 867884874 /nfs/dbraw/zinc/88/48/74/867884874.db2.gz GLKWCGPKEOKIPZ-AWEZNQCLSA-N 1 2 392.459 3.807 20 30 GHEDLO CC[N@@H+](Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)[C@@H](C)c1cccc(C#N)c1 ZINC000442689268 867884879 /nfs/dbraw/zinc/88/48/79/867884879.db2.gz GLKWCGPKEOKIPZ-AWEZNQCLSA-N 1 2 392.459 3.807 20 30 GHEDLO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCc3c(Cl)c(Cl)ccc3C2)cc1 ZINC000523892878 868207348 /nfs/dbraw/zinc/20/73/48/868207348.db2.gz KZSROWUYRNHMAL-OAHLLOKOSA-N 1 2 377.271 3.663 20 30 GHEDLO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCc3c(Cl)c(Cl)ccc3C2)cc1 ZINC000523892878 868207364 /nfs/dbraw/zinc/20/73/64/868207364.db2.gz KZSROWUYRNHMAL-OAHLLOKOSA-N 1 2 377.271 3.663 20 30 GHEDLO COC(=O)c1cccc(C[N@@H+]2CCC[C@H]2c2cc(OC)ccc2OC)c1C#N ZINC000535219964 868393651 /nfs/dbraw/zinc/39/36/51/868393651.db2.gz LDIOCJJXOMRLEO-FQEVSTJZSA-N 1 2 380.444 3.699 20 30 GHEDLO COC(=O)c1cccc(C[N@H+]2CCC[C@H]2c2cc(OC)ccc2OC)c1C#N ZINC000535219964 868393667 /nfs/dbraw/zinc/39/36/67/868393667.db2.gz LDIOCJJXOMRLEO-FQEVSTJZSA-N 1 2 380.444 3.699 20 30 GHEDLO O[C@@H](C1CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1)C(F)(F)F ZINC000157192351 868585903 /nfs/dbraw/zinc/58/59/03/868585903.db2.gz IJKWDMAMZDPFBP-HNNXBMFYSA-N 1 2 381.316 3.572 20 30 GHEDLO CN(CC(C)(C)C#N)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000457672404 868610731 /nfs/dbraw/zinc/61/07/31/868610731.db2.gz OPQCYGQWCJTOSU-MRXNPFEDSA-N 1 2 380.895 3.807 20 30 GHEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@H](c3ccccc3)OC[C@@H]2C)c(OC)c1 ZINC000524177900 868659460 /nfs/dbraw/zinc/65/94/60/868659460.db2.gz QKOXDVLQYRTFMM-SNYIIPAISA-N 1 2 397.515 3.625 20 30 GHEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2C[C@H](c3ccccc3)OC[C@@H]2C)c(OC)c1 ZINC000524177900 868659466 /nfs/dbraw/zinc/65/94/66/868659466.db2.gz QKOXDVLQYRTFMM-SNYIIPAISA-N 1 2 397.515 3.625 20 30 GHEDLO N#CCn1c(=O)c2ccccc2nc1C[N@@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000744387423 868783540 /nfs/dbraw/zinc/78/35/40/868783540.db2.gz RXVNYRWPIBPDCZ-UHFFFAOYSA-N 1 2 378.863 3.738 20 30 GHEDLO N#CCn1c(=O)c2ccccc2nc1C[N@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000744387423 868783546 /nfs/dbraw/zinc/78/35/46/868783546.db2.gz RXVNYRWPIBPDCZ-UHFFFAOYSA-N 1 2 378.863 3.738 20 30 GHEDLO CC[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cc(F)ccc1F ZINC000524927567 869762901 /nfs/dbraw/zinc/76/29/01/869762901.db2.gz ZWBTTZDYIGLZSE-OAQYLSRUSA-N 1 2 398.457 3.815 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(Cl)c(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000539787033 869772293 /nfs/dbraw/zinc/77/22/93/869772293.db2.gz JNGMTDBLIRSBFN-QZTJIDSGSA-N 1 2 375.806 3.665 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)c2ccc(Cl)c(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000539787033 869772300 /nfs/dbraw/zinc/77/23/00/869772300.db2.gz JNGMTDBLIRSBFN-QZTJIDSGSA-N 1 2 375.806 3.665 20 30 GHEDLO Cc1ccc2[nH+]c(CSCC(=O)Nc3cc(C#N)ccc3NC3CC3)cn2c1 ZINC000539925163 870038554 /nfs/dbraw/zinc/03/85/54/870038554.db2.gz SHUVQOXAUDWZGG-UHFFFAOYSA-N 1 2 391.500 3.961 20 30 GHEDLO COc1ccc(C[N@H+](C)CC(=O)/C=C2\N(C)c3ccccc3C2(C)C)cc1O ZINC000746452940 870738462 /nfs/dbraw/zinc/73/84/62/870738462.db2.gz BOCWZWBQPTVNDI-XKZIYDEJSA-N 1 2 380.488 3.713 20 30 GHEDLO COc1ccc(C[N@@H+](C)CC(=O)/C=C2\N(C)c3ccccc3C2(C)C)cc1O ZINC000746452940 870738473 /nfs/dbraw/zinc/73/84/73/870738473.db2.gz BOCWZWBQPTVNDI-XKZIYDEJSA-N 1 2 380.488 3.713 20 30 GHEDLO N#Cc1cccc(C(=O)Nc2ccc3c(c2)CC[C@H]([NH+]2CCCC2)CC3)c1O ZINC001193652269 871217523 /nfs/dbraw/zinc/21/75/23/871217523.db2.gz BFUPQNNLJXQYBF-HXUWFJFHSA-N 1 2 375.472 3.859 20 30 GHEDLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000191493740 882490203 /nfs/dbraw/zinc/49/02/03/882490203.db2.gz JRWHZDKDBQFWQB-LJQANCHMSA-N 1 2 384.545 3.641 20 30 GHEDLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000191493740 882490212 /nfs/dbraw/zinc/49/02/12/882490212.db2.gz JRWHZDKDBQFWQB-LJQANCHMSA-N 1 2 384.545 3.641 20 30 GHEDLO C[C@H](C#N)C[N@H+](Cc1cc(Br)cc(Br)c1N)C1CC1 ZINC000463278197 871315307 /nfs/dbraw/zinc/31/53/07/871315307.db2.gz GCDPVUVEQYMQGN-SECBINFHSA-N 1 2 387.119 3.918 20 30 GHEDLO C[C@H](C#N)C[N@@H+](Cc1cc(Br)cc(Br)c1N)C1CC1 ZINC000463278197 871315328 /nfs/dbraw/zinc/31/53/28/871315328.db2.gz GCDPVUVEQYMQGN-SECBINFHSA-N 1 2 387.119 3.918 20 30 GHEDLO N#Cc1c2c(cn(C[N@H+]3CCC[C@H](COc4ccccc4Cl)C3)c1=O)CCC2 ZINC000766633132 871332296 /nfs/dbraw/zinc/33/22/96/871332296.db2.gz PEMOYFIUFYDBEI-INIZCTEOSA-N 1 2 397.906 3.611 20 30 GHEDLO N#Cc1c2c(cn(C[N@@H+]3CCC[C@H](COc4ccccc4Cl)C3)c1=O)CCC2 ZINC000766633132 871332319 /nfs/dbraw/zinc/33/23/19/871332319.db2.gz PEMOYFIUFYDBEI-INIZCTEOSA-N 1 2 397.906 3.611 20 30 GHEDLO CCCCCCCOC(=O)N1C[C@@H]2C[N@H+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001194003300 871425972 /nfs/dbraw/zinc/42/59/72/871425972.db2.gz QOZQNVDVNMVPLA-PKOBYXMFSA-N 1 2 395.569 3.691 20 30 GHEDLO CCCCCCCOC(=O)N1C[C@@H]2C[N@@H+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC001194003300 871425976 /nfs/dbraw/zinc/42/59/76/871425976.db2.gz QOZQNVDVNMVPLA-PKOBYXMFSA-N 1 2 395.569 3.691 20 30 GHEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(NCc2cccnc2N2CCCC2)[nH+]1 ZINC001169855296 871946482 /nfs/dbraw/zinc/94/64/82/871946482.db2.gz BNVUYHUYBVXVCO-CMAALZJRSA-N 1 2 399.564 3.878 20 30 GHEDLO N#Cc1nc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)ccc1C(F)(F)F ZINC000443409909 872258418 /nfs/dbraw/zinc/25/84/18/872258418.db2.gz YIJAEYCIPVSURI-UHFFFAOYSA-N 1 2 380.801 3.948 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(Cc3c(F)c(F)c(F)c(F)c3F)CC2)cc1 ZINC000022778839 872304459 /nfs/dbraw/zinc/30/44/59/872304459.db2.gz WSPJXEDUCPNMKS-UHFFFAOYSA-N 1 2 381.348 3.572 20 30 GHEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000540862509 872338192 /nfs/dbraw/zinc/33/81/92/872338192.db2.gz FSHCRFUHYXCJLN-MJGOQNOKSA-N 1 2 385.556 3.621 20 30 GHEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000540862509 872338213 /nfs/dbraw/zinc/33/82/13/872338213.db2.gz FSHCRFUHYXCJLN-MJGOQNOKSA-N 1 2 385.556 3.621 20 30 GHEDLO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000478388307 872922858 /nfs/dbraw/zinc/92/28/58/872922858.db2.gz LLLBLGUQPJTLEA-UHFFFAOYSA-N 1 2 398.388 3.742 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000768915242 873683120 /nfs/dbraw/zinc/68/31/20/873683120.db2.gz AHVHKJORUQMSFR-UHFFFAOYSA-N 1 2 389.411 3.907 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000768915242 873683128 /nfs/dbraw/zinc/68/31/28/873683128.db2.gz AHVHKJORUQMSFR-UHFFFAOYSA-N 1 2 389.411 3.907 20 30 GHEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCO[C@@H](c3ccc(F)cc3)C1)CCC2 ZINC000023186578 873876763 /nfs/dbraw/zinc/87/67/63/873876763.db2.gz NSRVBWMUJZSNLR-GOSISDBHSA-N 1 2 399.491 3.650 20 30 GHEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCO[C@@H](c3ccc(F)cc3)C1)CCC2 ZINC000023186578 873876778 /nfs/dbraw/zinc/87/67/78/873876778.db2.gz NSRVBWMUJZSNLR-GOSISDBHSA-N 1 2 399.491 3.650 20 30 GHEDLO N#Cc1cccc(NC(=S)NCc2c[nH+]cn2Cc2ccccc2Cl)c1 ZINC001197743515 874020044 /nfs/dbraw/zinc/02/00/44/874020044.db2.gz IRQMWHSZRWMVLR-UHFFFAOYSA-N 1 2 381.892 3.943 20 30 GHEDLO C#C[C@H]([NH2+]Cc1nc(=O)c2c([nH]1)sc(C)c2-c1ccc(C)cc1)[C@@H]1CCCO1 ZINC000775786026 874023681 /nfs/dbraw/zinc/02/36/81/874023681.db2.gz UXUMTZJJJMJSHF-IRXDYDNUSA-N 1 2 393.512 3.951 20 30 GHEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1c(Cl)cccc1N1CCOCC1 ZINC000449013653 874324956 /nfs/dbraw/zinc/32/49/56/874324956.db2.gz LRMSHFJGXYSDTF-UHFFFAOYSA-N 1 2 399.922 3.697 20 30 GHEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1c(Cl)cccc1N1CCOCC1 ZINC000449013653 874324970 /nfs/dbraw/zinc/32/49/70/874324970.db2.gz LRMSHFJGXYSDTF-UHFFFAOYSA-N 1 2 399.922 3.697 20 30 GHEDLO C[C@H](C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000449049183 874419491 /nfs/dbraw/zinc/41/94/91/874419491.db2.gz RCUWLILEMGTJKD-ZPMCFJSWSA-N 1 2 382.529 3.965 20 30 GHEDLO C[C@H](C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000449049183 874419495 /nfs/dbraw/zinc/41/94/95/874419495.db2.gz RCUWLILEMGTJKD-ZPMCFJSWSA-N 1 2 382.529 3.965 20 30 GHEDLO CC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000464823591 874582748 /nfs/dbraw/zinc/58/27/48/874582748.db2.gz QOQVCTGZHSKYMF-VXKWHMMOSA-N 1 2 375.472 3.990 20 30 GHEDLO CC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000464823591 874582759 /nfs/dbraw/zinc/58/27/59/874582759.db2.gz QOQVCTGZHSKYMF-VXKWHMMOSA-N 1 2 375.472 3.990 20 30 GHEDLO C=CCSc1ncccc1C(=O)NCc1c[nH+]cn1Cc1ccccc1OC ZINC001199746323 875163238 /nfs/dbraw/zinc/16/32/38/875163238.db2.gz QPQQKFAOZLLWNC-UHFFFAOYSA-N 1 2 394.500 3.543 20 30 GHEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000491419940 875698954 /nfs/dbraw/zinc/69/89/54/875698954.db2.gz ABGRFNHHFLQCJG-UHFFFAOYSA-N 1 2 392.381 3.844 20 30 GHEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000491419940 875698960 /nfs/dbraw/zinc/69/89/60/875698960.db2.gz ABGRFNHHFLQCJG-UHFFFAOYSA-N 1 2 392.381 3.844 20 30 GHEDLO O=[N+]([O-])c1ccc(O)c(/C=N/CCCOC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000176413976 876346974 /nfs/dbraw/zinc/34/69/74/876346974.db2.gz PTWUBOFGZAXDQI-XQNSMLJCSA-N 1 2 397.475 3.791 20 30 GHEDLO Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000785979200 876381511 /nfs/dbraw/zinc/38/15/11/876381511.db2.gz MVHFMTQMVPZQCM-ZBFHGGJFSA-N 1 2 383.414 3.863 20 30 GHEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1 ZINC000451015081 877236067 /nfs/dbraw/zinc/23/60/67/877236067.db2.gz KMLBWSKZTCBUGD-LJQANCHMSA-N 1 2 376.460 3.968 20 30 GHEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1 ZINC000451015081 877236084 /nfs/dbraw/zinc/23/60/84/877236084.db2.gz KMLBWSKZTCBUGD-LJQANCHMSA-N 1 2 376.460 3.968 20 30 GHEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000451015081 877236100 /nfs/dbraw/zinc/23/61/00/877236100.db2.gz KMLBWSKZTCBUGD-LJQANCHMSA-N 1 2 376.460 3.968 20 30 GHEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000451015081 877236115 /nfs/dbraw/zinc/23/61/15/877236115.db2.gz KMLBWSKZTCBUGD-LJQANCHMSA-N 1 2 376.460 3.968 20 30 GHEDLO N#CCCN(C(=O)C[N@@H+]1CCC=C(c2cccnc2)C1)c1cccc(Cl)c1 ZINC000451028335 877262971 /nfs/dbraw/zinc/26/29/71/877262971.db2.gz YGFKJXVTCQTDCU-UHFFFAOYSA-N 1 2 380.879 3.771 20 30 GHEDLO N#CCCN(C(=O)C[N@H+]1CCC=C(c2cccnc2)C1)c1cccc(Cl)c1 ZINC000451028335 877262984 /nfs/dbraw/zinc/26/29/84/877262984.db2.gz YGFKJXVTCQTDCU-UHFFFAOYSA-N 1 2 380.879 3.771 20 30 GHEDLO CC[N@H+](CC(=O)NCc1cc(F)c(C#N)c(F)c1)Cc1ccccc1Cl ZINC000551952836 878055789 /nfs/dbraw/zinc/05/57/89/878055789.db2.gz OZTONLBQLYYTTF-UHFFFAOYSA-N 1 2 377.822 3.628 20 30 GHEDLO CC[N@@H+](CC(=O)NCc1cc(F)c(C#N)c(F)c1)Cc1ccccc1Cl ZINC000551952836 878055813 /nfs/dbraw/zinc/05/58/13/878055813.db2.gz OZTONLBQLYYTTF-UHFFFAOYSA-N 1 2 377.822 3.628 20 30 GHEDLO N#CC1(NC(=O)C[N@H+]2CC[C@H](c3cccc(Br)c3)C2)CCCCC1 ZINC000451564417 878160162 /nfs/dbraw/zinc/16/01/62/878160162.db2.gz GKJJNKZZPYWGFA-INIZCTEOSA-N 1 2 390.325 3.581 20 30 GHEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@H](c3cccc(Br)c3)C2)CCCCC1 ZINC000451564417 878160170 /nfs/dbraw/zinc/16/01/70/878160170.db2.gz GKJJNKZZPYWGFA-INIZCTEOSA-N 1 2 390.325 3.581 20 30 GHEDLO Cc1cc(NC(=O)[C@H](C)O[NH+]=C(N)c2ccc(F)cc2)ccc1Br ZINC000852297520 878209067 /nfs/dbraw/zinc/20/90/67/878209067.db2.gz JTTRZQFXCWMFGU-NSHDSACASA-N 1 2 394.244 3.561 20 30 GHEDLO C[C@@H](c1nc(-c2cccnc2)no1)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285540963 912330725 /nfs/dbraw/zinc/33/07/25/912330725.db2.gz QNYWKGVLRLRAPZ-AWEZNQCLSA-N 1 2 393.422 3.747 20 30 GHEDLO CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000177751156 878842029 /nfs/dbraw/zinc/84/20/29/878842029.db2.gz BKHNFJMVWZZMSL-ZDUSSCGKSA-N 1 2 381.417 3.850 20 30 GHEDLO OC1CCN(c2ccc(C=[NH+]Nc3cc(F)ccc3Br)cc2)CC1 ZINC000853357028 878982930 /nfs/dbraw/zinc/98/29/30/878982930.db2.gz AIZRXXFTUDOTPR-UHFFFAOYSA-N 1 2 392.272 3.995 20 30 GHEDLO COc1cc(C)c([C@H](C)[NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)cc1OC ZINC000538190703 879007730 /nfs/dbraw/zinc/00/77/30/879007730.db2.gz OTIYRXACHDXSKL-AWEZNQCLSA-N 1 2 378.432 3.785 20 30 GHEDLO CCCc1nc(C)c(CO[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)o1 ZINC000853658359 879209049 /nfs/dbraw/zinc/20/90/49/879209049.db2.gz GOMFFMHERAJTNV-UHFFFAOYSA-N 1 2 380.448 3.747 20 30 GHEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2cc3cccc(Cl)c3nc2Cl)C1=O ZINC001275152639 912429753 /nfs/dbraw/zinc/42/97/53/912429753.db2.gz MYWBGNTZXUXPIO-HXUWFJFHSA-N 1 2 388.298 3.742 20 30 GHEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2cc3cccc(Cl)c3nc2Cl)C1=O ZINC001275152639 912429760 /nfs/dbraw/zinc/42/97/60/912429760.db2.gz MYWBGNTZXUXPIO-HXUWFJFHSA-N 1 2 388.298 3.742 20 30 GHEDLO CC1(C)C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@@H]1c1ccncc1 ZINC000854042989 879470436 /nfs/dbraw/zinc/47/04/36/879470436.db2.gz YRYVTYOYPVGICV-DYESRHJHSA-N 1 2 383.455 3.702 20 30 GHEDLO CC1(C)C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@@H]1c1ccncc1 ZINC000854042989 879470440 /nfs/dbraw/zinc/47/04/40/879470440.db2.gz YRYVTYOYPVGICV-DYESRHJHSA-N 1 2 383.455 3.702 20 30 GHEDLO CC(C)OC(=O)C[C@@H]1CCC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000184470419 880311781 /nfs/dbraw/zinc/31/17/81/880311781.db2.gz UPVZMNYOHMARDV-SFHVURJKSA-N 1 2 395.503 3.791 20 30 GHEDLO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000184470419 880311795 /nfs/dbraw/zinc/31/17/95/880311795.db2.gz UPVZMNYOHMARDV-SFHVURJKSA-N 1 2 395.503 3.791 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000453470115 880982036 /nfs/dbraw/zinc/98/20/36/880982036.db2.gz ZJEXMKKKYKQVCA-FQEVSTJZSA-N 1 2 399.514 3.557 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000248721292 881224599 /nfs/dbraw/zinc/22/45/99/881224599.db2.gz ONXFSCGGECOZHX-PEBXRYMYSA-N 1 2 393.512 3.567 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000248721292 881224616 /nfs/dbraw/zinc/22/46/16/881224616.db2.gz ONXFSCGGECOZHX-PEBXRYMYSA-N 1 2 393.512 3.567 20 30 GHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494243663 881283441 /nfs/dbraw/zinc/28/34/41/881283441.db2.gz BUUUQCBJRQFKJV-LBPRGKRZSA-N 1 2 390.256 3.919 20 30 GHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494243663 881283452 /nfs/dbraw/zinc/28/34/52/881283452.db2.gz BUUUQCBJRQFKJV-LBPRGKRZSA-N 1 2 390.256 3.919 20 30 GHEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000593055665 883704408 /nfs/dbraw/zinc/70/44/08/883704408.db2.gz YKMBQFPLSXFTQP-SNVBAGLBSA-N 1 2 389.780 3.905 20 30 GHEDLO C=CCC(F)(F)c1nc(-c2ccc(N3CCN(c4cccc[nH+]4)CC3)nc2)no1 ZINC000551396941 883792506 /nfs/dbraw/zinc/79/25/06/883792506.db2.gz CDZIHSRTKXGNIK-UHFFFAOYSA-N 1 2 398.417 3.521 20 30 GHEDLO N#Cc1ccc(Cl)cc1N1CC[NH+]([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000609893871 883802383 /nfs/dbraw/zinc/80/23/83/883802383.db2.gz SSOBOEBMVLVWPL-LJQANCHMSA-N 1 2 376.287 3.721 20 30 GHEDLO CC[C@@H](c1ccccc1OC)[N@H+](C)Cc1nc2ccccc2c(=O)n1CC#N ZINC000805834160 884107088 /nfs/dbraw/zinc/10/70/88/884107088.db2.gz DPJLDFICPKWGRJ-IBGZPJMESA-N 1 2 376.460 3.512 20 30 GHEDLO CC[C@@H](c1ccccc1OC)[N@@H+](C)Cc1nc2ccccc2c(=O)n1CC#N ZINC000805834160 884107095 /nfs/dbraw/zinc/10/70/95/884107095.db2.gz DPJLDFICPKWGRJ-IBGZPJMESA-N 1 2 376.460 3.512 20 30 GHEDLO COc1cccc(CC2CC[NH+](CC(=O)Nc3oc(C)c(C)c3C#N)CC2)c1 ZINC000612123127 884240119 /nfs/dbraw/zinc/24/01/19/884240119.db2.gz LFDLBOXJOJRRQZ-UHFFFAOYSA-N 1 2 381.476 3.670 20 30 GHEDLO N#CCCCC[NH+]1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 ZINC000105234349 884697691 /nfs/dbraw/zinc/69/76/91/884697691.db2.gz WXLWUUQHHDVXBC-UHFFFAOYSA-N 1 2 389.565 3.734 20 30 GHEDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000806619549 884859712 /nfs/dbraw/zinc/85/97/12/884859712.db2.gz GVCURMXNCJGIRF-OAHLLOKOSA-N 1 2 390.285 3.754 20 30 GHEDLO CCCCCCCC(=O)N1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000807743961 885677498 /nfs/dbraw/zinc/67/74/98/885677498.db2.gz ZOUHYQMWXFSJHN-SFHVURJKSA-N 1 2 381.561 3.501 20 30 GHEDLO C[C@]1(C#N)CCCN(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000612358015 885982538 /nfs/dbraw/zinc/98/25/38/885982538.db2.gz JMDIGFSOGMJYTI-FXAWDEMLSA-N 1 2 392.906 3.951 20 30 GHEDLO CSCC[C@@H](Nc1cc(/C=N/[S@](=O)C(C)(C)C)cc(C)[nH+]1)C(C)(C)O ZINC001168213893 886150878 /nfs/dbraw/zinc/15/08/78/886150878.db2.gz OBMSWNYOGPFHED-RAXZOLNDSA-N 1 2 385.599 3.576 20 30 GHEDLO COc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)c(C)c1OC ZINC000287044700 913056490 /nfs/dbraw/zinc/05/64/90/913056490.db2.gz TXOOKZKYCNKPHQ-CQSZACIVSA-N 1 2 378.432 3.785 20 30 GHEDLO COc1ccc2c(c1)C[N@@H+](CC(=O)N(CCC#N)c1ccc(C)c(C)c1)CC2 ZINC000747528350 886732058 /nfs/dbraw/zinc/73/20/58/886732058.db2.gz KFRMKKJGLLSUSU-UHFFFAOYSA-N 1 2 377.488 3.617 20 30 GHEDLO COc1ccc2c(c1)C[N@H+](CC(=O)N(CCC#N)c1ccc(C)c(C)c1)CC2 ZINC000747528350 886732067 /nfs/dbraw/zinc/73/20/67/886732067.db2.gz KFRMKKJGLLSUSU-UHFFFAOYSA-N 1 2 377.488 3.617 20 30 GHEDLO N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000131317988 887534869 /nfs/dbraw/zinc/53/48/69/887534869.db2.gz IDVJJQMORKQOIP-GOSISDBHSA-N 1 2 386.455 3.729 20 30 GHEDLO N#Cc1cc(C(F)(F)F)cc(NCc2cc[nH+]c(N3CCSCC3)c2)n1 ZINC000866087352 888726452 /nfs/dbraw/zinc/72/64/52/888726452.db2.gz SCSUAWJCNHYQCQ-UHFFFAOYSA-N 1 2 379.411 3.532 20 30 GHEDLO CN(c1ccccc1)c1ccc(C=[NH+]Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000916241227 888849573 /nfs/dbraw/zinc/84/95/73/888849573.db2.gz NTQKCLSFMMALMP-UHFFFAOYSA-N 1 2 380.473 3.548 20 30 GHEDLO N#CCOc1ccc(C[N@H+]2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)cc1 ZINC000287363983 913290304 /nfs/dbraw/zinc/29/03/04/913290304.db2.gz MBBRJNDSSKLGEQ-HNNXBMFYSA-N 1 2 380.370 3.804 20 30 GHEDLO N#CCOc1ccc(C[N@@H+]2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)cc1 ZINC000287363983 913290315 /nfs/dbraw/zinc/29/03/15/913290315.db2.gz MBBRJNDSSKLGEQ-HNNXBMFYSA-N 1 2 380.370 3.804 20 30 GHEDLO C=CC[NH+]1CCN(C(=O)C2(Cc3cccc(F)c3)CCC(F)(F)CC2)CC1 ZINC001184678829 913382518 /nfs/dbraw/zinc/38/25/18/913382518.db2.gz ULBPALLPMRHXHU-UHFFFAOYSA-N 1 2 380.454 3.894 20 30 GHEDLO COc1cc(C[N@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)cc(OC)c1 ZINC000533249110 890089641 /nfs/dbraw/zinc/08/96/41/890089641.db2.gz MVLFXQXPGSHALU-UHFFFAOYSA-N 1 2 391.471 3.887 20 30 GHEDLO COc1cc(C[N@@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)cc(OC)c1 ZINC000533249110 890089660 /nfs/dbraw/zinc/08/96/60/890089660.db2.gz MVLFXQXPGSHALU-UHFFFAOYSA-N 1 2 391.471 3.887 20 30 GHEDLO NC(=[NH+]OCc1nc(C2CCCC2)no1)c1ccc(OCc2cccnc2)cc1 ZINC000154283348 891278898 /nfs/dbraw/zinc/27/88/98/891278898.db2.gz AVMBUCVLNXBCEX-UHFFFAOYSA-N 1 2 393.447 3.538 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000247209599 891354980 /nfs/dbraw/zinc/35/49/80/891354980.db2.gz RNICHJSBCUGZKP-JKSUJKDBSA-N 1 2 383.521 3.622 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000247209599 891354989 /nfs/dbraw/zinc/35/49/89/891354989.db2.gz RNICHJSBCUGZKP-JKSUJKDBSA-N 1 2 383.521 3.622 20 30 GHEDLO N#C[C@H](C(=O)C[NH+]1CCC(C2CCCCC2)CC1)c1nc2ccccc2c(=O)[nH]1 ZINC000917134225 891414021 /nfs/dbraw/zinc/41/40/21/891414021.db2.gz RABGWWIVTQWPHL-LJQANCHMSA-N 1 2 392.503 3.804 20 30 GHEDLO C=CCN(CCc1ccccc1)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000068405207 892243242 /nfs/dbraw/zinc/24/32/42/892243242.db2.gz BKHJPFYQWAJTBR-UHFFFAOYSA-N 1 2 378.451 3.952 20 30 GHEDLO C=CCN(CCc1ccco1)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000272469386 892908100 /nfs/dbraw/zinc/90/81/00/892908100.db2.gz RPOQCEAXVKQQGP-GOSISDBHSA-N 1 2 383.492 3.935 20 30 GHEDLO CCOC(=O)C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC000533846530 893231236 /nfs/dbraw/zinc/23/12/36/893231236.db2.gz OSQIBFQMZYMONB-QGZVFWFLSA-N 1 2 379.460 3.513 20 30 GHEDLO CCOC(=O)C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC000533846530 893231249 /nfs/dbraw/zinc/23/12/49/893231249.db2.gz OSQIBFQMZYMONB-QGZVFWFLSA-N 1 2 379.460 3.513 20 30 GHEDLO C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](Cc2cc(C#N)cnc2Cl)CC1 ZINC000876683548 893287895 /nfs/dbraw/zinc/28/78/95/893287895.db2.gz VHUKXAWHERWPJM-CYBMUJFWSA-N 1 2 378.904 3.732 20 30 GHEDLO COc1cc(C)c(C[N@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)cc1OC ZINC000194669801 893772906 /nfs/dbraw/zinc/77/29/06/893772906.db2.gz TYIYYQCWHDSKRK-UHFFFAOYSA-N 1 2 387.867 3.608 20 30 GHEDLO COc1cc(C)c(C[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)cc1OC ZINC000194669801 893772917 /nfs/dbraw/zinc/77/29/17/893772917.db2.gz TYIYYQCWHDSKRK-UHFFFAOYSA-N 1 2 387.867 3.608 20 30 GHEDLO CCOc1ccc(C[NH+]2CCN(C(=O)C(C)(C)c3ccc(C#N)cc3)CC2)cc1 ZINC001135843972 895401404 /nfs/dbraw/zinc/40/14/04/895401404.db2.gz HVIIDGUKGYQFDA-UHFFFAOYSA-N 1 2 391.515 3.579 20 30 GHEDLO FC(F)Oc1ccccc1C=NOCc1cccc(C[NH+]2CCOCC2)c1 ZINC000817378383 895552597 /nfs/dbraw/zinc/55/25/97/895552597.db2.gz WQQKCMDKEAZJPM-UHFFFAOYSA-N 1 2 376.403 3.671 20 30 GHEDLO C[N@@H+]1CCO[C@@H]([C@@H](Nc2ncc3c(c2C#N)CCC3)c2ccc(Cl)cc2)C1 ZINC000566135651 896133460 /nfs/dbraw/zinc/13/34/60/896133460.db2.gz NQIYOJOPCSOLEA-UXHICEINSA-N 1 2 382.895 3.579 20 30 GHEDLO C[N@H+]1CCO[C@@H]([C@@H](Nc2ncc3c(c2C#N)CCC3)c2ccc(Cl)cc2)C1 ZINC000566135651 896133466 /nfs/dbraw/zinc/13/34/66/896133466.db2.gz NQIYOJOPCSOLEA-UXHICEINSA-N 1 2 382.895 3.579 20 30 GHEDLO C=C(Cl)CSc1nc(C)c(CC(=O)N2CC(Oc3cc[nH+]cc3)C2)s1 ZINC000819235489 896479063 /nfs/dbraw/zinc/47/90/63/896479063.db2.gz PIKJIKKFMSWTIS-UHFFFAOYSA-N 1 2 395.937 3.523 20 30 GHEDLO CC1(C)CC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC[S@]1=O ZINC000567214128 896974878 /nfs/dbraw/zinc/97/48/78/896974878.db2.gz IZNSROXWDQRHGK-HHHXNRCGSA-N 1 2 382.529 3.870 20 30 GHEDLO CC1(C)CC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC[S@]1=O ZINC000567214128 896974892 /nfs/dbraw/zinc/97/48/92/896974892.db2.gz IZNSROXWDQRHGK-HHHXNRCGSA-N 1 2 382.529 3.870 20 30 GHEDLO N#Cc1cccc(C2([NH2+]Cc3csc(CC(=O)Nc4ccccc4)n3)CC2)c1 ZINC000568117954 897608802 /nfs/dbraw/zinc/60/88/02/897608802.db2.gz WIPJZLXSRRPDPD-UHFFFAOYSA-N 1 2 388.496 3.975 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)CCC)C1 ZINC000101914898 897981407 /nfs/dbraw/zinc/98/14/07/897981407.db2.gz DNESISQBQCSYKG-KRWDZBQOSA-N 1 2 389.565 3.532 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)CCC)C1 ZINC000101914898 897981415 /nfs/dbraw/zinc/98/14/15/897981415.db2.gz DNESISQBQCSYKG-KRWDZBQOSA-N 1 2 389.565 3.532 20 30 GHEDLO N#CCCn1cc(C(=O)C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c2ccccc21 ZINC000289631325 914272097 /nfs/dbraw/zinc/27/20/97/914272097.db2.gz RYHXWHSUKQFMIN-VXKWHMMOSA-N 1 2 377.488 3.771 20 30 GHEDLO N#CCCn1cc(C(=O)C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c2ccccc21 ZINC000289631325 914272113 /nfs/dbraw/zinc/27/21/13/914272113.db2.gz RYHXWHSUKQFMIN-VXKWHMMOSA-N 1 2 377.488 3.771 20 30 GHEDLO N#Cc1ccncc1N1CCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000570227488 899206615 /nfs/dbraw/zinc/20/66/15/899206615.db2.gz FVXOMHSKTUGLJW-UHFFFAOYSA-N 1 2 394.276 3.591 20 30 GHEDLO COc1nc2ccccc2cc1C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC001137208097 899832374 /nfs/dbraw/zinc/83/23/74/899832374.db2.gz MXJGXSFBXJPCDT-UHFFFAOYSA-N 1 2 376.435 3.576 20 30 GHEDLO N#Cc1ccnc(N2CC[NH+](Cc3ccc(Cl)c(OC(F)(F)F)c3)CC2)c1 ZINC001143357682 900220578 /nfs/dbraw/zinc/22/05/78/900220578.db2.gz LFOVOGRCXDFCPA-UHFFFAOYSA-N 1 2 396.800 3.827 20 30 GHEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3c(Cl)cccc3C#N)CC[C@@H]2C1 ZINC001143717334 900398714 /nfs/dbraw/zinc/39/87/14/900398714.db2.gz CLYMBAUZQAWAJX-CVEARBPZSA-N 1 2 375.900 3.900 20 30 GHEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3c(Cl)cccc3C#N)CC[C@@H]2C1 ZINC001143717334 900398729 /nfs/dbraw/zinc/39/87/29/900398729.db2.gz CLYMBAUZQAWAJX-CVEARBPZSA-N 1 2 375.900 3.900 20 30 GHEDLO Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844370945 900736776 /nfs/dbraw/zinc/73/67/76/900736776.db2.gz VKJCYCJAHKPAKN-NRFANRHFSA-N 1 2 394.906 3.930 20 30 GHEDLO Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844370945 900736783 /nfs/dbraw/zinc/73/67/83/900736783.db2.gz VKJCYCJAHKPAKN-NRFANRHFSA-N 1 2 394.906 3.930 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886684463 901225654 /nfs/dbraw/zinc/22/56/54/901225654.db2.gz LWLBDUANKPTYEU-SJORKVTESA-N 1 2 395.532 3.689 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886684463 901225666 /nfs/dbraw/zinc/22/56/66/901225666.db2.gz LWLBDUANKPTYEU-SJORKVTESA-N 1 2 395.532 3.689 20 30 GHEDLO Cc1ccc([C@H](CNc2nc3cc(Cl)ccn3c2C#N)[NH+]2CCOCC2)cc1 ZINC000575929260 901484377 /nfs/dbraw/zinc/48/43/77/901484377.db2.gz UUTIRGMECZZYPV-IBGZPJMESA-N 1 2 395.894 3.653 20 30 GHEDLO C[C@H](c1ccc(Cl)cc1)[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C1CC1 ZINC000576069337 901645143 /nfs/dbraw/zinc/64/51/43/901645143.db2.gz JIRQJHQABXYMCE-CQSZACIVSA-N 1 2 389.908 3.606 20 30 GHEDLO C[C@H](c1ccc(Cl)cc1)[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C1CC1 ZINC000576069337 901645149 /nfs/dbraw/zinc/64/51/49/901645149.db2.gz JIRQJHQABXYMCE-CQSZACIVSA-N 1 2 389.908 3.606 20 30 GHEDLO C[C@H](NC(=O)[C@H](C#N)C(=O)C[C@H](C)n1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000845528507 902233555 /nfs/dbraw/zinc/23/35/55/902233555.db2.gz IDUYELIFFJNGOO-SLEUVZQESA-N 1 2 393.274 3.727 20 30 GHEDLO C=CCOc1ccc(C[N@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1OC ZINC000125915100 902266123 /nfs/dbraw/zinc/26/61/23/902266123.db2.gz NPFMBTUIJZVNCZ-MRXNPFEDSA-N 1 2 389.517 3.857 20 30 GHEDLO C=CCOc1ccc(C[N@@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1OC ZINC000125915100 902266134 /nfs/dbraw/zinc/26/61/34/902266134.db2.gz NPFMBTUIJZVNCZ-MRXNPFEDSA-N 1 2 389.517 3.857 20 30 GHEDLO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1c(F)cc(O)cc1F)CC2 ZINC001144541914 902350288 /nfs/dbraw/zinc/35/02/88/902350288.db2.gz MNGJFZGRCOOZDF-UHFFFAOYSA-N 1 2 380.435 3.671 20 30 GHEDLO C[C@@H](c1cccc(NC(=O)N(C)Cc2cccc(C#N)c2)c1)[NH+]1CCOCC1 ZINC000264213568 902928717 /nfs/dbraw/zinc/92/87/17/902928717.db2.gz HQAFYPLTKJMVNK-KRWDZBQOSA-N 1 2 378.476 3.615 20 30 GHEDLO N#Cc1ccc(C2CCN(C(=O)c3ccc(NCCn4cc[nH+]c4)cc3)CC2)cc1 ZINC000887697507 903497184 /nfs/dbraw/zinc/49/71/84/903497184.db2.gz FKOGKHCMQKZFPN-UHFFFAOYSA-N 1 2 399.498 3.887 20 30 GHEDLO CC(C)c1nc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c2ccccn21 ZINC000578539824 903944508 /nfs/dbraw/zinc/94/45/08/903944508.db2.gz FFUMDCMVKSRMTJ-IBGZPJMESA-N 1 2 387.487 3.615 20 30 GHEDLO C[C@H]([NH2+][C@@H](C)c1nc2c(s1)CCC2)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000578962919 904259954 /nfs/dbraw/zinc/25/99/54/904259954.db2.gz MZBGUHAIPSSEGG-QWRGUYRKSA-N 1 2 386.546 3.731 20 30 GHEDLO N#Cc1sccc1N1CC[NH+](CCc2ccccc2Br)CC1 ZINC001171937330 905191911 /nfs/dbraw/zinc/19/19/11/905191911.db2.gz NUDYRHSLALRBGA-UHFFFAOYSA-N 1 2 376.323 3.747 20 30 GHEDLO C#CCOc1ccccc1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000189865185 905352788 /nfs/dbraw/zinc/35/27/88/905352788.db2.gz VRFUXCYYGFZJMU-ICSRJNTNSA-N 1 2 385.414 3.544 20 30 GHEDLO C#CCOc1ccccc1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000189865185 905352807 /nfs/dbraw/zinc/35/28/07/905352807.db2.gz VRFUXCYYGFZJMU-ICSRJNTNSA-N 1 2 385.414 3.544 20 30 GHEDLO CCOC(=O)[C@@H]1c2ccc(OC)cc2CC[N@@H+]1[C@H](C)Cc1ccc(C#N)cc1 ZINC001172318195 905471629 /nfs/dbraw/zinc/47/16/29/905471629.db2.gz ZUUCROKXLMLSOQ-ZHRRBRCNSA-N 1 2 378.472 3.660 20 30 GHEDLO CCOC(=O)[C@@H]1c2ccc(OC)cc2CC[N@H+]1[C@H](C)Cc1ccc(C#N)cc1 ZINC001172318195 905471636 /nfs/dbraw/zinc/47/16/36/905471636.db2.gz ZUUCROKXLMLSOQ-ZHRRBRCNSA-N 1 2 378.472 3.660 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1[C@H](C)CSc1ccc(Cl)cc1 ZINC001172874386 905952783 /nfs/dbraw/zinc/95/27/83/905952783.db2.gz AJOKLMRGGRRLDM-RDTXWAMCSA-N 1 2 392.956 3.751 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1[C@H](C)CSc1ccc(Cl)cc1 ZINC001172874386 905952794 /nfs/dbraw/zinc/95/27/94/905952794.db2.gz AJOKLMRGGRRLDM-RDTXWAMCSA-N 1 2 392.956 3.751 20 30 GHEDLO C=CCOC1CCC([N@H+]2CCn3c(COc4cccnc4)cnc3[C@@H]2C)CC1 ZINC001173320586 906369163 /nfs/dbraw/zinc/36/91/63/906369163.db2.gz QAWJRGVIIBAAFK-ZJRDLVKKSA-N 1 2 382.508 3.748 20 30 GHEDLO C=CCOC1CCC([N@@H+]2CCn3c(COc4cccnc4)cnc3[C@@H]2C)CC1 ZINC001173320586 906369178 /nfs/dbraw/zinc/36/91/78/906369178.db2.gz QAWJRGVIIBAAFK-ZJRDLVKKSA-N 1 2 382.508 3.748 20 30 GHEDLO C[C@@H]1c2ncc(COCC3CCOCC3)n2CC[N@@H+]1C1CCC(C)(C#N)CC1 ZINC001173594720 906546879 /nfs/dbraw/zinc/54/68/79/906546879.db2.gz KFOMPDSIHMZHKM-BWDFOLQRSA-N 1 2 386.540 3.675 20 30 GHEDLO C[C@@H]1c2ncc(COCC3CCOCC3)n2CC[N@H+]1C1CCC(C)(C#N)CC1 ZINC001173594720 906546894 /nfs/dbraw/zinc/54/68/94/906546894.db2.gz KFOMPDSIHMZHKM-BWDFOLQRSA-N 1 2 386.540 3.675 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1CCN(c2[nH+]cccc2Nc2cc(F)cc(C#N)c2)C1 ZINC001175682518 907691717 /nfs/dbraw/zinc/69/17/17/907691717.db2.gz PDDDRTJZPUXBJA-MRXNPFEDSA-N 1 2 397.454 3.939 20 30 GHEDLO CC(C)(C)OC(=O)N1CCN(c2[nH+]cccc2Nc2cc(F)cc(C#N)c2)CC1 ZINC001175683471 907691747 /nfs/dbraw/zinc/69/17/47/907691747.db2.gz ABGFSPJHXDTSRL-UHFFFAOYSA-N 1 2 397.454 3.893 20 30 GHEDLO C[C@H](c1nnc(SCCO[C@@H](C)C#N)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000801655624 921360879 /nfs/dbraw/zinc/36/08/79/921360879.db2.gz FZDGUCYEGPKTSQ-DLBZAZTESA-N 1 2 385.537 3.835 20 30 GHEDLO COc1cc[nH+]cc1Nc1cc(Cl)c(I)cc1C#N ZINC001176123609 907948611 /nfs/dbraw/zinc/94/86/11/907948611.db2.gz CBYVWONEHPVEGG-UHFFFAOYSA-N 1 2 385.592 3.963 20 30 GHEDLO C=CCC1(O)CC[NH+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)CC1 ZINC001176272956 908034620 /nfs/dbraw/zinc/03/46/20/908034620.db2.gz LDHAVPBUHOSVQQ-UHFFFAOYSA-N 1 2 398.551 3.823 20 30 GHEDLO Cc1ccc(C(=O)/C=C/C(=O)NCCN(Cc2ccccc2)c2cccc[nH+]2)cc1 ZINC001177215907 908468915 /nfs/dbraw/zinc/46/89/15/908468915.db2.gz IGHFRAIEZVWBAN-CCEZHUSRSA-N 1 2 399.494 3.952 20 30 GHEDLO CC(=NNC1=[NH+]C[C@@H](C)N1)c1ccc(-c2ccccc2Br)s1 ZINC000779795309 908679512 /nfs/dbraw/zinc/67/95/12/908679512.db2.gz RSOYGKGPCXRIIB-SNVBAGLBSA-N 1 2 377.311 3.839 20 30 GHEDLO N#CC(CC[N@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1)(c1ccccc1)c1ccccc1 ZINC000193071287 908848227 /nfs/dbraw/zinc/84/82/27/908848227.db2.gz RFFHBWQOZUQMHK-JOCHJYFZSA-N 1 2 394.540 3.538 20 30 GHEDLO N#CC(CC[N@@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1)(c1ccccc1)c1ccccc1 ZINC000193071287 908848238 /nfs/dbraw/zinc/84/82/38/908848238.db2.gz RFFHBWQOZUQMHK-JOCHJYFZSA-N 1 2 394.540 3.538 20 30 GHEDLO CO[C@H](C)c1nc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cs1 ZINC000267031652 909370797 /nfs/dbraw/zinc/37/07/97/909370797.db2.gz VIPKTBLWBFIETK-CQSZACIVSA-N 1 2 384.505 3.573 20 30 GHEDLO CC(C)CCC1CC[NH+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000268455994 909888336 /nfs/dbraw/zinc/88/83/36/909888336.db2.gz NHKIHHRWTCANOX-GOSISDBHSA-N 1 2 380.492 3.660 20 30 GHEDLO N#CCCCOc1cccc(C[N@H+]2CCOC[C@@H]2C[C@@H](O)c2cccs2)c1 ZINC000246898876 910743143 /nfs/dbraw/zinc/74/31/43/910743143.db2.gz UIAPLQUGJUTQFR-AZUAARDMSA-N 1 2 386.517 3.755 20 30 GHEDLO N#CCCCOc1cccc(C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2cccs2)c1 ZINC000246898876 910743161 /nfs/dbraw/zinc/74/31/61/910743161.db2.gz UIAPLQUGJUTQFR-AZUAARDMSA-N 1 2 386.517 3.755 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccccc2OCc2cccnc2)c1 ZINC000092143640 911423632 /nfs/dbraw/zinc/42/36/32/911423632.db2.gz BPOZKVWQYOREMO-UHFFFAOYSA-N 1 2 385.467 3.712 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccccc2OCc2cccnc2)c1 ZINC000092143640 911423642 /nfs/dbraw/zinc/42/36/42/911423642.db2.gz BPOZKVWQYOREMO-UHFFFAOYSA-N 1 2 385.467 3.712 20 30 GHEDLO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1ccc(C#Cc2ccccc2)cc1 ZINC000642555727 912159198 /nfs/dbraw/zinc/15/91/98/912159198.db2.gz QVIGIDVMFMEZBM-UHFFFAOYSA-N 1 2 381.479 3.880 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](Cc3cn(-c4ccc(Cl)cc4)nn3)CC2)cc1 ZINC000466835738 915536016 /nfs/dbraw/zinc/53/60/16/915536016.db2.gz OQVZTSYKWBOJCA-UHFFFAOYSA-N 1 2 393.878 3.836 20 30 GHEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(F)cc(Br)c1 ZINC001275709688 916239003 /nfs/dbraw/zinc/23/90/03/916239003.db2.gz PHMYKSSIVMKMKT-GOSISDBHSA-N 1 2 381.289 3.731 20 30 GHEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)cc(Br)c1 ZINC001275709688 916239021 /nfs/dbraw/zinc/23/90/21/916239021.db2.gz PHMYKSSIVMKMKT-GOSISDBHSA-N 1 2 381.289 3.731 20 30 GHEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(F)cc(Br)c1 ZINC001275709689 916239702 /nfs/dbraw/zinc/23/97/02/916239702.db2.gz PHMYKSSIVMKMKT-SFHVURJKSA-N 1 2 381.289 3.731 20 30 GHEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)cc(Br)c1 ZINC001275709689 916239715 /nfs/dbraw/zinc/23/97/15/916239715.db2.gz PHMYKSSIVMKMKT-SFHVURJKSA-N 1 2 381.289 3.731 20 30 GHEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c(C#N)c1C ZINC000361179125 916549815 /nfs/dbraw/zinc/54/98/15/916549815.db2.gz UIHOQIINMHGOFT-AWEZNQCLSA-N 1 2 396.422 3.867 20 30 GHEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c(C#N)c1C ZINC000361179125 916549832 /nfs/dbraw/zinc/54/98/32/916549832.db2.gz UIHOQIINMHGOFT-AWEZNQCLSA-N 1 2 396.422 3.867 20 30 GHEDLO COc1cccc(F)c1[C@@H](C)[NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000775460478 918012182 /nfs/dbraw/zinc/01/21/82/918012182.db2.gz VGEDIRKXRGJWLW-UKRRQHHQSA-N 1 2 390.418 3.722 20 30 GHEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(F)cc1Br ZINC001275959707 920253817 /nfs/dbraw/zinc/25/38/17/920253817.db2.gz ZQBVVJJXRKJUJM-GOSISDBHSA-N 1 2 381.289 3.731 20 30 GHEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(F)cc1Br ZINC001275959707 920253832 /nfs/dbraw/zinc/25/38/32/920253832.db2.gz ZQBVVJJXRKJUJM-GOSISDBHSA-N 1 2 381.289 3.731 20 30 GHEDLO CC[C@H](C)N1CC[C@@]2(CCC[N@@H+]2Cc2ccc(C#N)cc2Br)C1=O ZINC001275980320 920695263 /nfs/dbraw/zinc/69/52/63/920695263.db2.gz QZEGDHFIEDATKW-LIRRHRJNSA-N 1 2 390.325 3.686 20 30 GHEDLO CC[C@H](C)N1CC[C@@]2(CCC[N@H+]2Cc2ccc(C#N)cc2Br)C1=O ZINC001275980320 920695271 /nfs/dbraw/zinc/69/52/71/920695271.db2.gz QZEGDHFIEDATKW-LIRRHRJNSA-N 1 2 390.325 3.686 20 30 GHEDLO C=CC[N@@H+](CCc1ccco1)CN1Cc2ccc(Br)cc2C1=O ZINC000802738886 922371576 /nfs/dbraw/zinc/37/15/76/922371576.db2.gz WFXOVOIGFVLXNK-UHFFFAOYSA-N 1 2 375.266 3.686 20 30 GHEDLO C=CC[N@H+](CCc1ccco1)CN1Cc2ccc(Br)cc2C1=O ZINC000802738886 922371590 /nfs/dbraw/zinc/37/15/90/922371590.db2.gz WFXOVOIGFVLXNK-UHFFFAOYSA-N 1 2 375.266 3.686 20 30 GHEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000369722918 923571927 /nfs/dbraw/zinc/57/19/27/923571927.db2.gz NSJFOJAQTMUUJF-UHFFFAOYSA-N 1 2 385.471 3.678 20 30 GHEDLO C=CCOC[C@@H]1C[N@H+](Cc2cnc3ccccc3c2)Cc2nnn(CC3CC3)c21 ZINC001137279319 924205483 /nfs/dbraw/zinc/20/54/83/924205483.db2.gz KDBSOJKVALDDHJ-FQEVSTJZSA-N 1 2 389.503 3.538 20 30 GHEDLO C=CCOC[C@@H]1C[N@@H+](Cc2cnc3ccccc3c2)Cc2nnn(CC3CC3)c21 ZINC001137279319 924205494 /nfs/dbraw/zinc/20/54/94/924205494.db2.gz KDBSOJKVALDDHJ-FQEVSTJZSA-N 1 2 389.503 3.538 20 30 GHEDLO C=C(C)[C@H](CC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1)OCC ZINC000677297862 924318582 /nfs/dbraw/zinc/31/85/82/924318582.db2.gz RKMSHUFFRPDHBV-SFHVURJKSA-N 1 2 384.442 3.721 20 30 GHEDLO N#Cc1ccc(Oc2cccc(C(=O)NCCc3cn4c([nH+]3)CCCC4)c2)cc1 ZINC000372563615 925538547 /nfs/dbraw/zinc/53/85/47/925538547.db2.gz KQZKZFMEMBRVKE-UHFFFAOYSA-N 1 2 386.455 3.856 20 30 GHEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+]([C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411319542 926303527 /nfs/dbraw/zinc/30/35/27/926303527.db2.gz CUTUWPUFKDVKIY-WMZOPIPTSA-N 1 2 378.407 3.623 20 30 GHEDLO CC(=[NH+]NC(=S)NCCc1ccccn1)c1ccc(N2CCCCC2)cc1 ZINC000726425441 926657695 /nfs/dbraw/zinc/65/76/95/926657695.db2.gz QHMCIMUUALOMGY-UHFFFAOYSA-N 1 2 381.549 3.503 20 30 GHEDLO N#Cc1c(NC(=O)C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)sc2c1CCCCC2 ZINC000411943027 926927930 /nfs/dbraw/zinc/92/79/30/926927930.db2.gz MLOCRPORKJERRB-APWZRJJASA-N 1 2 395.528 3.635 20 30 GHEDLO N#Cc1c(NC(=O)C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)sc2c1CCCCC2 ZINC000411943027 926927939 /nfs/dbraw/zinc/92/79/39/926927939.db2.gz MLOCRPORKJERRB-APWZRJJASA-N 1 2 395.528 3.635 20 30 GHEDLO N#Cc1c(NC(=O)C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)sc2c1CCCCC2 ZINC000411943036 926928586 /nfs/dbraw/zinc/92/85/86/926928586.db2.gz MLOCRPORKJERRB-QFBILLFUSA-N 1 2 395.528 3.635 20 30 GHEDLO N#Cc1c(NC(=O)C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)sc2c1CCCCC2 ZINC000411943036 926928587 /nfs/dbraw/zinc/92/85/87/926928587.db2.gz MLOCRPORKJERRB-QFBILLFUSA-N 1 2 395.528 3.635 20 30 GHEDLO Fc1ccc(CO[NH+]=Cc2ccccc2N2CCOCC2)c(Br)c1 ZINC000780288483 927675609 /nfs/dbraw/zinc/67/56/09/927675609.db2.gz FTOWYVRQEUPPEC-UHFFFAOYSA-N 1 2 393.256 3.976 20 30 GHEDLO Cc1cc(-c2noc([C@H](C)O[NH+]=C(N)c3ccc4c(c3)CCO4)n2)ccc1F ZINC000753830229 929554502 /nfs/dbraw/zinc/55/45/02/929554502.db2.gz NZSUGMGCCIENCV-LBPRGKRZSA-N 1 2 382.395 3.517 20 30 GHEDLO Cc1cc(Br)cn2cc(CCNc3nc4c(cc3C#N)CCC4)[nH+]c12 ZINC000546052434 929807931 /nfs/dbraw/zinc/80/79/31/929807931.db2.gz SRSGRWNROGKTCA-UHFFFAOYSA-N 1 2 396.292 3.815 20 30 GHEDLO CC[C@@H]([NH2+]Cc1nnc2ccc(C(F)(F)F)cn21)c1cccc(C#N)c1O ZINC000924589053 931433065 /nfs/dbraw/zinc/43/30/65/931433065.db2.gz XANTXYCRTDKVFK-CQSZACIVSA-N 1 2 375.354 3.566 20 30 GHEDLO Cc1c(C(=O)/C=C\c2cc(-n3cc[nH+]c3)cs2)nnn1-c1ccc(F)cc1 ZINC000783708214 931624481 /nfs/dbraw/zinc/62/44/81/931624481.db2.gz OEDFEGVHSYLQSI-SREVYHEPSA-N 1 2 379.420 3.858 20 30 GHEDLO C#CCOc1cccc([C@@H](C)OC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)c1 ZINC000796700637 931795995 /nfs/dbraw/zinc/79/59/95/931795995.db2.gz RKQPXQLTCIFDSA-CYBMUJFWSA-N 1 2 384.382 3.939 20 30 GHEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H](N(C)c3ccc(C)cc3)C2)c(C#N)c1C ZINC000784381562 931875816 /nfs/dbraw/zinc/87/58/16/931875816.db2.gz SVYYXPVCUMZLFQ-IBGZPJMESA-N 1 2 380.492 3.616 20 30 GHEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H](N(C)c3ccc(C)cc3)C2)c(C#N)c1C ZINC000784381562 931875820 /nfs/dbraw/zinc/87/58/20/931875820.db2.gz SVYYXPVCUMZLFQ-IBGZPJMESA-N 1 2 380.492 3.616 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000558506435 932040947 /nfs/dbraw/zinc/04/09/47/932040947.db2.gz OGHNWOKBGQUOAM-CABCVRRESA-N 1 2 390.471 3.695 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000558506435 932040951 /nfs/dbraw/zinc/04/09/51/932040951.db2.gz OGHNWOKBGQUOAM-CABCVRRESA-N 1 2 390.471 3.695 20 30 GHEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000929607851 933539182 /nfs/dbraw/zinc/53/91/82/933539182.db2.gz CSFZARZITMPYJN-XMSQKQJNSA-N 1 2 392.503 3.526 20 30 GHEDLO Cc1nc(N2CCCCC2)sc1C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC001116449537 933565757 /nfs/dbraw/zinc/56/57/57/933565757.db2.gz ORHADZXDIFYYJL-LJQANCHMSA-N 1 2 382.533 3.887 20 30 GHEDLO Cc1nc(N2CCCCC2)sc1C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC001116449537 933565764 /nfs/dbraw/zinc/56/57/64/933565764.db2.gz ORHADZXDIFYYJL-LJQANCHMSA-N 1 2 382.533 3.887 20 30 GHEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@]3(C2)CCc2ccccc2O3)c(C#N)c1C ZINC000562046354 934656554 /nfs/dbraw/zinc/65/65/54/934656554.db2.gz MYBBUTMXBYHDNF-NRFANRHFSA-N 1 2 381.501 3.645 20 30 GHEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@]3(C2)CCc2ccccc2O3)c(C#N)c1C ZINC000562046354 934656565 /nfs/dbraw/zinc/65/65/65/934656565.db2.gz MYBBUTMXBYHDNF-NRFANRHFSA-N 1 2 381.501 3.645 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCCC[C@@H](C2CCOCC2)C1 ZINC001121508939 934678502 /nfs/dbraw/zinc/67/85/02/934678502.db2.gz ABABNIZOIUTUOS-WOJBJXKFSA-N 1 2 387.572 3.654 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCCC[C@@H](C2CCOCC2)C1 ZINC001121508939 934678507 /nfs/dbraw/zinc/67/85/07/934678507.db2.gz ABABNIZOIUTUOS-WOJBJXKFSA-N 1 2 387.572 3.654 20 30 GHEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC(SC)CC1 ZINC001121682193 934736998 /nfs/dbraw/zinc/73/69/98/934736998.db2.gz MWMSHCWWHALSKQ-QGZVFWFLSA-N 1 2 385.581 3.989 20 30 GHEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC(SC)CC1 ZINC001121682193 934737002 /nfs/dbraw/zinc/73/70/02/934737002.db2.gz MWMSHCWWHALSKQ-QGZVFWFLSA-N 1 2 385.581 3.989 20 30 GHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)c1nnc([C@@H](C)CCC#N)n1CC ZINC001121869862 934781039 /nfs/dbraw/zinc/78/10/39/934781039.db2.gz ILSYVZRWNOZPEN-SFHVURJKSA-N 1 2 395.555 3.843 20 30 GHEDLO CC1CCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2Cc2ccccc2)CC1 ZINC001122155297 934834039 /nfs/dbraw/zinc/83/40/39/934834039.db2.gz FPNNEAACHOMSER-UHFFFAOYSA-N 1 2 392.551 3.656 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N(C)Cc1cscn1 ZINC001122445658 934872147 /nfs/dbraw/zinc/87/21/47/934872147.db2.gz WRFMYHOAFQTZNY-QGZVFWFLSA-N 1 2 385.541 3.779 20 30 GHEDLO CSCC[C@@H](C)N(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1CC(C)C ZINC001122832182 935003052 /nfs/dbraw/zinc/00/30/52/935003052.db2.gz ZIDNZVCPTDLTNP-QGZVFWFLSA-N 1 2 392.617 3.605 20 30 GHEDLO C[N@@H+]1CCCC[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1Cc1cccs1 ZINC001123035786 935063137 /nfs/dbraw/zinc/06/31/37/935063137.db2.gz YNFSJDWGGIGOES-QGZVFWFLSA-N 1 2 384.553 3.675 20 30 GHEDLO C[N@H+]1CCCC[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1Cc1cccs1 ZINC001123035786 935063144 /nfs/dbraw/zinc/06/31/44/935063144.db2.gz YNFSJDWGGIGOES-QGZVFWFLSA-N 1 2 384.553 3.675 20 30 GHEDLO N#CCCCc1nnc(N2CC[NH+](Cc3ccccc3Cl)CC2)n1CC1CC1 ZINC001123697238 935255856 /nfs/dbraw/zinc/25/58/56/935255856.db2.gz YCCGWICZLYDDGC-UHFFFAOYSA-N 1 2 398.942 3.510 20 30 GHEDLO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000468872495 1016149229 /nfs/dbraw/zinc/14/92/29/1016149229.db2.gz HALXCKSQUOUQBI-INIZCTEOSA-N 1 2 382.357 3.588 20 30 GHEDLO C[N@H+](Cc1cc(F)ccc1C#N)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000468872495 1016149234 /nfs/dbraw/zinc/14/92/34/1016149234.db2.gz HALXCKSQUOUQBI-INIZCTEOSA-N 1 2 382.357 3.588 20 30 GHEDLO C=CC[NH+]1CCN(C(=O)c2cnc3cc(NC(=O)OC(C)(C)C)ccc3c2)CC1 ZINC001155087878 1032407429 /nfs/dbraw/zinc/40/74/29/1032407429.db2.gz DNVTZKHVQQQLLR-UHFFFAOYSA-N 1 2 396.491 3.526 20 30 GHEDLO Cc1nc(O[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(C#N)c(C)c1Cl ZINC001227828569 1032637564 /nfs/dbraw/zinc/63/75/64/1032637564.db2.gz RZIBFUGCBXHJKD-LPHOPBHVSA-N 1 2 385.895 3.892 20 30 GHEDLO Cc1nc(O[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(C#N)c(C)c1Cl ZINC001227828569 1032637577 /nfs/dbraw/zinc/63/75/77/1032637577.db2.gz RZIBFUGCBXHJKD-LPHOPBHVSA-N 1 2 385.895 3.892 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[NH+](Cc2cccc(Nc3ncccc3C#N)c2)CC1 ZINC001204317485 1032762864 /nfs/dbraw/zinc/76/28/64/1032762864.db2.gz XNLGGEFQFQZQHV-UHFFFAOYSA-N 1 2 393.491 3.750 20 30 GHEDLO C=C(C)C(=O)OC[C@@H](C)Oc1cccc(C(=O)C[N@H+](C)Cc2ccccc2)c1 ZINC001228101562 1032781886 /nfs/dbraw/zinc/78/18/86/1032781886.db2.gz ATPBIFLALFVPOF-GOSISDBHSA-N 1 2 381.472 3.888 20 30 GHEDLO C=C(C)C(=O)OC[C@@H](C)Oc1cccc(C(=O)C[N@@H+](C)Cc2ccccc2)c1 ZINC001228101562 1032781895 /nfs/dbraw/zinc/78/18/95/1032781895.db2.gz ATPBIFLALFVPOF-GOSISDBHSA-N 1 2 381.472 3.888 20 30 GHEDLO C=CCn1ncc2ccc(NC(=O)N(C)CCCc3[nH+]ccn3CCC)cc21 ZINC000933081146 1018840475 /nfs/dbraw/zinc/84/04/75/1018840475.db2.gz GKCCKKWHBYHSLY-UHFFFAOYSA-N 1 2 380.496 3.925 20 30 GHEDLO Cn1cc([C@@H]2CSCCC[N@@H+]2Cc2ccc(C#N)cc2C(F)(F)F)cn1 ZINC000933976919 1018897149 /nfs/dbraw/zinc/89/71/49/1018897149.db2.gz YTXFVBUTVCKTKT-KRWDZBQOSA-N 1 2 380.439 3.991 20 30 GHEDLO Cn1cc([C@@H]2CSCCC[N@H+]2Cc2ccc(C#N)cc2C(F)(F)F)cn1 ZINC000933976919 1018897166 /nfs/dbraw/zinc/89/71/66/1018897166.db2.gz YTXFVBUTVCKTKT-KRWDZBQOSA-N 1 2 380.439 3.991 20 30 GHEDLO C/C(=C\c1cccc(C(F)(F)F)c1)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000571988614 1019732070 /nfs/dbraw/zinc/73/20/70/1019732070.db2.gz FEDJAIRANOISDJ-SAPNQHFASA-N 1 2 381.442 3.657 20 30 GHEDLO CC(C)(C)OC(=O)NCc1ccc(C(N)=[NH+]OCCSC(C)(C)C)cc1 ZINC000802736567 1021528601 /nfs/dbraw/zinc/52/86/01/1021528601.db2.gz ZYMCFHOUJQOWHB-UHFFFAOYSA-N 1 2 381.542 3.880 20 30 GHEDLO N#Cc1ccc(Cl)c(C[N@H+]2Cc3cncn3C[C@H](COc3cccnc3)C2)c1 ZINC001140598717 1022040993 /nfs/dbraw/zinc/04/09/93/1022040993.db2.gz BBUKXNHTQRPBQQ-QGZVFWFLSA-N 1 2 393.878 3.514 20 30 GHEDLO N#Cc1ccc(Cl)c(C[N@@H+]2Cc3cncn3C[C@H](COc3cccnc3)C2)c1 ZINC001140598717 1022041004 /nfs/dbraw/zinc/04/10/04/1022041004.db2.gz BBUKXNHTQRPBQQ-QGZVFWFLSA-N 1 2 393.878 3.514 20 30 GHEDLO CCOC(=O)CCCc1[nH+]c2cc(Nc3cnc(C#N)c(F)c3)ccc2n1C ZINC001203061647 1022358403 /nfs/dbraw/zinc/35/84/03/1022358403.db2.gz YXXHNPTYPQXODZ-UHFFFAOYSA-N 1 2 381.411 3.608 20 30 GHEDLO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3ccc(O)c(F)c3F)C2)CC1 ZINC001140889418 1022806291 /nfs/dbraw/zinc/80/62/91/1022806291.db2.gz DYEGWULMOHKSQE-UHFFFAOYSA-N 1 2 380.435 3.671 20 30 GHEDLO C=CCOC(=O)N1CCC2(CCC[N@H+](Cc3ccc(O)c(F)c3F)C2)CC1 ZINC001140889418 1022806302 /nfs/dbraw/zinc/80/63/02/1022806302.db2.gz DYEGWULMOHKSQE-UHFFFAOYSA-N 1 2 380.435 3.671 20 30 GHEDLO C#CCOc1ccccc1C[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000754830715 1022919554 /nfs/dbraw/zinc/91/95/54/1022919554.db2.gz RAOYHROCGYOAFP-UHFFFAOYSA-N 1 2 387.270 3.876 20 30 GHEDLO CC(C)(C)OC(=O)Nc1cnccc1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC001141082193 1023448489 /nfs/dbraw/zinc/44/84/89/1023448489.db2.gz CMSUYXTULDFCMR-UHFFFAOYSA-N 1 2 393.491 3.622 20 30 GHEDLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141112883 1023529506 /nfs/dbraw/zinc/52/95/06/1023529506.db2.gz PZZSDHJUJFECTH-GHMZBOCLSA-N 1 2 384.933 3.590 20 30 GHEDLO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141112883 1023529513 /nfs/dbraw/zinc/52/95/13/1023529513.db2.gz PZZSDHJUJFECTH-GHMZBOCLSA-N 1 2 384.933 3.590 20 30 GHEDLO CCc1nc(C#N)c(C#N)nc1N1c2sc(C)cc2C(=[NH2+])Nc2ccccc21 ZINC001156674625 1033176350 /nfs/dbraw/zinc/17/63/50/1033176350.db2.gz YUEADQSPAZUOTR-UHFFFAOYSA-N 1 2 385.456 3.972 20 30 GHEDLO CCOC[C@@H]1C[N@H+](Cc2ccc(C#Cc3ccccc3)cc2)Cc2ncn(C)c21 ZINC001138335126 1024696325 /nfs/dbraw/zinc/69/63/25/1024696325.db2.gz GXRJSGPOCWLCLP-QHCPKHFHSA-N 1 2 385.511 3.956 20 30 GHEDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(C#Cc3ccccc3)cc2)Cc2ncn(C)c21 ZINC001138335126 1024696330 /nfs/dbraw/zinc/69/63/30/1024696330.db2.gz GXRJSGPOCWLCLP-QHCPKHFHSA-N 1 2 385.511 3.956 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(OC(C)C)c(OC)c1 ZINC001138573362 1025047605 /nfs/dbraw/zinc/04/76/05/1025047605.db2.gz GMBBXJKTRKJMRC-LJQANCHMSA-N 1 2 385.508 3.518 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(OC(C)C)c(OC)c1 ZINC001138573362 1025047624 /nfs/dbraw/zinc/04/76/24/1025047624.db2.gz GMBBXJKTRKJMRC-LJQANCHMSA-N 1 2 385.508 3.518 20 30 GHEDLO C=C(C)COc1ccccc1C[N@@H+]1Cc2nn(C)cc2[C@@H](COCC2CC2)C1 ZINC001138660651 1025179633 /nfs/dbraw/zinc/17/96/33/1025179633.db2.gz AKVCOINOJRYATK-HXUWFJFHSA-N 1 2 381.520 3.901 20 30 GHEDLO C=C(C)COc1ccccc1C[N@H+]1Cc2nn(C)cc2[C@@H](COCC2CC2)C1 ZINC001138660651 1025179638 /nfs/dbraw/zinc/17/96/38/1025179638.db2.gz AKVCOINOJRYATK-HXUWFJFHSA-N 1 2 381.520 3.901 20 30 GHEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001138682289 1025206444 /nfs/dbraw/zinc/20/64/44/1025206444.db2.gz NWDZJAWDLHIWAY-QFIPXVFZSA-N 1 2 392.478 3.923 20 30 GHEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001138682289 1025206456 /nfs/dbraw/zinc/20/64/56/1025206456.db2.gz NWDZJAWDLHIWAY-QFIPXVFZSA-N 1 2 392.478 3.923 20 30 GHEDLO N#Cc1cc(C(F)(F)F)cc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)n1 ZINC001161923955 1025497396 /nfs/dbraw/zinc/49/73/96/1025497396.db2.gz KVTYRRBMDOUXQL-UHFFFAOYSA-N 1 2 380.801 3.948 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC([C@@H](O)c2cc(F)ccc2F)CC1 ZINC000839155430 1025659258 /nfs/dbraw/zinc/65/92/58/1025659258.db2.gz JDXXVKGSTLCAEF-SPLOXXLWSA-N 1 2 399.441 3.609 20 30 GHEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(NCc2cnc3cccc(C)n23)[nH+]1 ZINC001162349072 1025721307 /nfs/dbraw/zinc/72/13/07/1025721307.db2.gz UWJKSAUSVMJOSG-NFZXTBNOSA-N 1 2 383.521 3.839 20 30 GHEDLO CC(C)(C)OC(=O)[C@@H]([NH3+])CNc1ncc(C#N)c2sc(-c3ccccc3)cc21 ZINC001162850023 1025938757 /nfs/dbraw/zinc/93/87/57/1025938757.db2.gz QUAZVPJFUPVWJL-INIZCTEOSA-N 1 2 394.500 3.916 20 30 GHEDLO N#Cc1ccc(Oc2ccc(C[NH+]3CCN(c4ccccc4C#N)CC3)cn2)cc1 ZINC001139424675 1026296766 /nfs/dbraw/zinc/29/67/66/1026296766.db2.gz TVACHINUDRVZKK-UHFFFAOYSA-N 1 2 395.466 3.939 20 30 GHEDLO C=CCOC(=O)N1CCC2(CN(c3cc(C)c4cc(OC)ccc4[nH+]3)C2)CC1 ZINC001163863866 1026345113 /nfs/dbraw/zinc/34/51/13/1026345113.db2.gz LKZUNJAMRSOAEA-UHFFFAOYSA-N 1 2 381.476 3.777 20 30 GHEDLO C=CCOC(=O)N1CCC2(CN(c3[nH+]ccc4cc(OC)c(F)cc43)C2)CC1 ZINC001163869581 1026346473 /nfs/dbraw/zinc/34/64/73/1026346473.db2.gz LMYTUPNTRLZJBI-UHFFFAOYSA-N 1 2 385.439 3.607 20 30 GHEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)C2(CCC2)[C@H]1c1ccccc1 ZINC000839979663 1026388266 /nfs/dbraw/zinc/38/82/66/1026388266.db2.gz FYRMJUVFFXHHFQ-JOCHJYFZSA-N 1 2 389.499 3.718 20 30 GHEDLO COCC[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)C2(CCC2)[C@H]1c1ccccc1 ZINC000839979663 1026388276 /nfs/dbraw/zinc/38/82/76/1026388276.db2.gz FYRMJUVFFXHHFQ-JOCHJYFZSA-N 1 2 389.499 3.718 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(OC(F)(F)F)cc3)CC2)cc1F ZINC001139531229 1026389381 /nfs/dbraw/zinc/38/93/81/1026389381.db2.gz RQESTWXOHKQQHM-UHFFFAOYSA-N 1 2 379.357 3.918 20 30 GHEDLO CCOC[C@H]1C[N@H+](Cc2c[nH]c3c2cccc3C#N)Cc2c1cnn2CC1CC1 ZINC001139702072 1026547078 /nfs/dbraw/zinc/54/70/78/1026547078.db2.gz WZSZAIBNRKSSMV-LJQANCHMSA-N 1 2 389.503 3.782 20 30 GHEDLO CCOC[C@H]1C[N@@H+](Cc2c[nH]c3c2cccc3C#N)Cc2c1cnn2CC1CC1 ZINC001139702072 1026547085 /nfs/dbraw/zinc/54/70/85/1026547085.db2.gz WZSZAIBNRKSSMV-LJQANCHMSA-N 1 2 389.503 3.782 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1ccc(COC)s1)CC2 ZINC001139826716 1026646694 /nfs/dbraw/zinc/64/66/94/1026646694.db2.gz XITNKLGISGVQDD-UHFFFAOYSA-N 1 2 387.549 3.762 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1ccc(COC)s1)CC2 ZINC001139826716 1026646699 /nfs/dbraw/zinc/64/66/99/1026646699.db2.gz XITNKLGISGVQDD-UHFFFAOYSA-N 1 2 387.549 3.762 20 30 GHEDLO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cc(Br)cnc1F)C2 ZINC001140004097 1026791158 /nfs/dbraw/zinc/79/11/58/1026791158.db2.gz ZPXXPDVDJACNHD-WMZOPIPTSA-N 1 2 399.304 3.557 20 30 GHEDLO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1cc(Br)cnc1F)C2 ZINC001140004097 1026791171 /nfs/dbraw/zinc/79/11/71/1026791171.db2.gz ZPXXPDVDJACNHD-WMZOPIPTSA-N 1 2 399.304 3.557 20 30 GHEDLO CCn1ncc2c1C[N@H+](Cc1c[nH]c3ccc(C#N)cc13)C[C@H]2COCC1CC1 ZINC001140113253 1026894825 /nfs/dbraw/zinc/89/48/25/1026894825.db2.gz UKPGBJOGPLNYDJ-IBGZPJMESA-N 1 2 389.503 3.782 20 30 GHEDLO CCn1ncc2c1C[N@@H+](Cc1c[nH]c3ccc(C#N)cc13)C[C@H]2COCC1CC1 ZINC001140113253 1026894832 /nfs/dbraw/zinc/89/48/32/1026894832.db2.gz UKPGBJOGPLNYDJ-IBGZPJMESA-N 1 2 389.503 3.782 20 30 GHEDLO C=CCn1c(-c2cccnc2)nn(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1=S ZINC000840113877 1027216421 /nfs/dbraw/zinc/21/64/21/1027216421.db2.gz GEFVTAIFVQTVRF-IPMKNSEASA-N 1 2 399.564 3.635 20 30 GHEDLO C=CCn1c(-c2cccnc2)nn(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1=S ZINC000840113877 1027216429 /nfs/dbraw/zinc/21/64/29/1027216429.db2.gz GEFVTAIFVQTVRF-IPMKNSEASA-N 1 2 399.564 3.635 20 30 GHEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC2(CC1)C(=O)Nc1ccccc12 ZINC001141809747 1027340877 /nfs/dbraw/zinc/34/08/77/1027340877.db2.gz BNPKBEYNLQTMMU-UHFFFAOYSA-N 1 2 396.288 3.807 20 30 GHEDLO N#C[C@H]1C[NH2+]CCN1Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC001210121046 1027346674 /nfs/dbraw/zinc/34/66/74/1027346674.db2.gz JKSSHGKLJNPJSG-INIZCTEOSA-N 1 2 376.287 3.870 20 30 GHEDLO N#C[C@@H]1C[NH2+]CCN1Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC001210121052 1027346829 /nfs/dbraw/zinc/34/68/29/1027346829.db2.gz JKSSHGKLJNPJSG-MRXNPFEDSA-N 1 2 376.287 3.870 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(Nc3ccc(F)cc3C#N)c[nH+]2)C1 ZINC001210550457 1027552746 /nfs/dbraw/zinc/55/27/46/1027552746.db2.gz HOBDXSNWMPMQHA-QGZVFWFLSA-N 1 2 397.454 3.939 20 30 GHEDLO CSc1nc(C[N@@H+]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)ccc1C#N ZINC001141929234 1027685623 /nfs/dbraw/zinc/68/56/23/1027685623.db2.gz QSYUECDPISNWTA-MRXNPFEDSA-N 1 2 376.526 3.554 20 30 GHEDLO CSc1nc(C[N@H+]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)ccc1C#N ZINC001141929234 1027685632 /nfs/dbraw/zinc/68/56/32/1027685632.db2.gz QSYUECDPISNWTA-MRXNPFEDSA-N 1 2 376.526 3.554 20 30 GHEDLO CSc1nc(C[N@@H+]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C)ccc1C#N ZINC001141945683 1027725591 /nfs/dbraw/zinc/72/55/91/1027725591.db2.gz IXMUINAAVNKORV-CJNGLKHVSA-N 1 2 376.526 3.553 20 30 GHEDLO CSc1nc(C[N@H+]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C)ccc1C#N ZINC001141945683 1027725611 /nfs/dbraw/zinc/72/56/11/1027725611.db2.gz IXMUINAAVNKORV-CJNGLKHVSA-N 1 2 376.526 3.553 20 30 GHEDLO CCOC[C@@H]1C[N@H+](Cc2c[nH]c3cc(C#N)ccc23)Cc2ncn(CC3CC3)c21 ZINC001142916335 1029688608 /nfs/dbraw/zinc/68/86/08/1029688608.db2.gz SEABBVWBNVJPLI-IBGZPJMESA-N 1 2 389.503 3.782 20 30 GHEDLO CCOC[C@@H]1C[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)Cc2ncn(CC3CC3)c21 ZINC001142916335 1029688615 /nfs/dbraw/zinc/68/86/15/1029688615.db2.gz SEABBVWBNVJPLI-IBGZPJMESA-N 1 2 389.503 3.782 20 30 GHEDLO N#Cc1ccc(F)c(C[NH+]2CCC(n3cc(Br)cn3)CC2)c1F ZINC001143178591 1029885473 /nfs/dbraw/zinc/88/54/73/1029885473.db2.gz IJIOLMUABIAJAJ-UHFFFAOYSA-N 1 2 381.224 3.633 20 30 GHEDLO COc1ccc(F)c(C(F)(F)F)c1C[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@H](C)C1 ZINC001143297820 1030000097 /nfs/dbraw/zinc/00/00/97/1030000097.db2.gz BUVHCPOXBDQFOM-OTYXRUKQSA-N 1 2 389.311 3.988 20 30 GHEDLO COc1ccc(F)c(C(F)(F)F)c1C[N@H+]1CC[C@@](O)(C(F)(F)F)[C@H](C)C1 ZINC001143297820 1030000114 /nfs/dbraw/zinc/00/01/14/1030000114.db2.gz BUVHCPOXBDQFOM-OTYXRUKQSA-N 1 2 389.311 3.988 20 30 GHEDLO C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1nc(Cl)ccc1C(F)(F)F)CC2 ZINC001276922678 1030766541 /nfs/dbraw/zinc/76/65/41/1030766541.db2.gz MKYHGAMGHHLMNX-ZDUSSCGKSA-N 1 2 387.833 3.658 20 30 GHEDLO C=C(C)CN1C(=O)COCC12C[NH+](Cc1sc(Cl)c3ccccc13)C2 ZINC001276938419 1030849510 /nfs/dbraw/zinc/84/95/10/1030849510.db2.gz SOJSNFXWJBDVJQ-UHFFFAOYSA-N 1 2 376.909 3.544 20 30 GHEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2csc(-c3cccc(Cl)c3)n2)C1=O ZINC001276992643 1031088158 /nfs/dbraw/zinc/08/81/58/1031088158.db2.gz UBSJAVSXPXDFDZ-FQEVSTJZSA-N 1 2 385.920 3.664 20 30 GHEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2csc(-c3cccc(Cl)c3)n2)C1=O ZINC001276992643 1031088177 /nfs/dbraw/zinc/08/81/77/1031088177.db2.gz UBSJAVSXPXDFDZ-FQEVSTJZSA-N 1 2 385.920 3.664 20 30 GHEDLO C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(O[C@@H]3CC[NH2+]CC3(F)F)cc2)c1 ZINC001219461762 1031434989 /nfs/dbraw/zinc/43/49/89/1031434989.db2.gz OVAYPLBJBKTRTC-IFXJQAMLSA-N 1 2 385.414 3.942 20 30 GHEDLO C[NH+](C)Cc1nc(CSCCNc2nc(Cl)c(F)cc2C#N)cs1 ZINC001157333112 1033540906 /nfs/dbraw/zinc/54/09/06/1033540906.db2.gz XQSOGVWARCNXHR-UHFFFAOYSA-N 1 2 385.921 3.609 20 30 GHEDLO Cc1nc(O[C@@H]2CC(F)(F)C2(F)F)c(C#N)cc1-c1ccc2[nH+]ccn2c1 ZINC001229769582 1033701040 /nfs/dbraw/zinc/70/10/40/1033701040.db2.gz SCPYQDLHGLWGMS-CQSZACIVSA-N 1 2 376.313 3.998 20 30 GHEDLO N#Cc1c(Br)cccc1OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001230323929 1033996633 /nfs/dbraw/zinc/99/66/33/1033996633.db2.gz ZPVKKNWFTOPKCD-INIZCTEOSA-N 1 2 387.277 3.601 20 30 GHEDLO N#Cc1c(Br)cccc1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001230323929 1033996641 /nfs/dbraw/zinc/99/66/41/1033996641.db2.gz ZPVKKNWFTOPKCD-INIZCTEOSA-N 1 2 387.277 3.601 20 30 GHEDLO C=CCOCc1ncn2c1C[N@H+](Cc1c(F)cccc1OC(F)F)CCC2 ZINC001207115457 1034103867 /nfs/dbraw/zinc/10/38/67/1034103867.db2.gz UEVXDEZWJNBMQD-UHFFFAOYSA-N 1 2 381.398 3.732 20 30 GHEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1c(F)cccc1OC(F)F)CCC2 ZINC001207115457 1034103876 /nfs/dbraw/zinc/10/38/76/1034103876.db2.gz UEVXDEZWJNBMQD-UHFFFAOYSA-N 1 2 381.398 3.732 20 30 GHEDLO N#Cc1cc(F)c(Cl)nc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC001158547615 1034145597 /nfs/dbraw/zinc/14/55/97/1034145597.db2.gz WRKSUFIJNIVTIN-OAHLLOKOSA-N 1 2 398.791 3.999 20 30 GHEDLO N#Cc1cc(F)c(Cl)nc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC001158547615 1034145610 /nfs/dbraw/zinc/14/56/10/1034145610.db2.gz WRKSUFIJNIVTIN-OAHLLOKOSA-N 1 2 398.791 3.999 20 30 GHEDLO Cc1ccc([C@H](C#N)c2ccc(N3CC[C@@H]([NH+]4CCCC4)C(F)(F)C3)nn2)cc1 ZINC001158625953 1034208203 /nfs/dbraw/zinc/20/82/03/1034208203.db2.gz XFHKIWSXZYBTGP-AZUAARDMSA-N 1 2 397.473 3.750 20 30 GHEDLO N#Cc1ccccc1Oc1ccc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)cc1Cl ZINC001158862579 1034310454 /nfs/dbraw/zinc/31/04/54/1034310454.db2.gz ZIYNJQVXSUWMBM-HNNXBMFYSA-N 1 2 378.819 3.555 20 30 GHEDLO C=CC(C)(C)CCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC001231273749 1034498296 /nfs/dbraw/zinc/49/82/96/1034498296.db2.gz VCRXDEGXTFUJFE-ROUUACIJSA-N 1 2 379.932 3.613 20 30 GHEDLO C=CC(C)(C)CCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC001231273749 1034498304 /nfs/dbraw/zinc/49/83/04/1034498304.db2.gz VCRXDEGXTFUJFE-ROUUACIJSA-N 1 2 379.932 3.613 20 30 GHEDLO C=CC(C)(C)CCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC001231273748 1034498434 /nfs/dbraw/zinc/49/84/34/1034498434.db2.gz VCRXDEGXTFUJFE-QZTJIDSGSA-N 1 2 379.932 3.613 20 30 GHEDLO C=CC(C)(C)CCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC001231273748 1034498437 /nfs/dbraw/zinc/49/84/37/1034498437.db2.gz VCRXDEGXTFUJFE-QZTJIDSGSA-N 1 2 379.932 3.613 20 30 GHEDLO Cc1cc(Cl)nc(Cl)c1C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCC#N ZINC001277507963 1034529202 /nfs/dbraw/zinc/52/92/02/1034529202.db2.gz SOZGSYGJBATHTH-HUUCEWRRSA-N 1 2 381.307 3.566 20 30 GHEDLO Cc1cc(Cl)nc(Cl)c1C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCC#N ZINC001277507963 1034529214 /nfs/dbraw/zinc/52/92/14/1034529214.db2.gz SOZGSYGJBATHTH-HUUCEWRRSA-N 1 2 381.307 3.566 20 30 GHEDLO N#CCCCNC(=O)[C@H]1CC12CC[NH+](Cc1c(F)cc(F)cc1Cl)CC2 ZINC001277580943 1034965099 /nfs/dbraw/zinc/96/50/99/1034965099.db2.gz LDOBCXCZOCUGIH-OAHLLOKOSA-N 1 2 381.854 3.640 20 30 GHEDLO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1c(Cl)n(C)nc1C(F)F)C2 ZINC001232053061 1035064922 /nfs/dbraw/zinc/06/49/22/1035064922.db2.gz LWETZJNERCWOLF-SFHVURJKSA-N 1 2 386.874 3.544 20 30 GHEDLO C=CCN1C(=O)CCC[C@@]12CCC[N@H+](Cc1c(Cl)n(C)nc1C(F)F)C2 ZINC001232053061 1035064930 /nfs/dbraw/zinc/06/49/30/1035064930.db2.gz LWETZJNERCWOLF-SFHVURJKSA-N 1 2 386.874 3.544 20 30 GHEDLO N#Cc1ccc(C[N@H+]2Cc3cncn3C[C@H](COc3ccccn3)C2)cc1Cl ZINC001232120717 1035107458 /nfs/dbraw/zinc/10/74/58/1035107458.db2.gz XDKHVZISOYTMHJ-QGZVFWFLSA-N 1 2 393.878 3.514 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2Cc3cncn3C[C@H](COc3ccccn3)C2)cc1Cl ZINC001232120717 1035107463 /nfs/dbraw/zinc/10/74/63/1035107463.db2.gz XDKHVZISOYTMHJ-QGZVFWFLSA-N 1 2 393.878 3.514 20 30 GHEDLO COc1ccc(OC)c(C[NH+]2CCN(Cc3ccc(C#N)c(Cl)c3)CC2)c1 ZINC001232120294 1035107749 /nfs/dbraw/zinc/10/77/49/1035107749.db2.gz RBPNVFPDTRLTGO-UHFFFAOYSA-N 1 2 385.895 3.547 20 30 GHEDLO C=CCCCC[N@@H+]1CCc2c(nnn2CC2CC2)[C@H]1COCc1cccnc1 ZINC001209202553 1035207574 /nfs/dbraw/zinc/20/75/74/1035207574.db2.gz FCBYITAGGCQVQF-OAQYLSRUSA-N 1 2 381.524 3.555 20 30 GHEDLO C=CCCCC[N@H+]1CCc2c(nnn2CC2CC2)[C@H]1COCc1cccnc1 ZINC001209202553 1035207577 /nfs/dbraw/zinc/20/75/77/1035207577.db2.gz FCBYITAGGCQVQF-OAQYLSRUSA-N 1 2 381.524 3.555 20 30 GHEDLO C=CCOC[C@@H]1C[N@@H+](Cc2c[nH]c3cc(F)ccc23)Cc2nnn(CC3CC3)c21 ZINC001209687517 1035355664 /nfs/dbraw/zinc/35/56/64/1035355664.db2.gz KJNJBKBYJQJJLA-KRWDZBQOSA-N 1 2 395.482 3.611 20 30 GHEDLO C=CCOC[C@@H]1C[N@H+](Cc2c[nH]c3cc(F)ccc23)Cc2nnn(CC3CC3)c21 ZINC001209687517 1035355672 /nfs/dbraw/zinc/35/56/72/1035355672.db2.gz KJNJBKBYJQJJLA-KRWDZBQOSA-N 1 2 395.482 3.611 20 30 GHEDLO CC(C)(C)C(=O)Nc1ccc(/C=N/O)nc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC001243658774 1036241695 /nfs/dbraw/zinc/24/16/95/1036241695.db2.gz ZKWPOBSTEUFOQF-FSJBWODESA-N 1 2 377.448 3.786 20 30 GHEDLO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](Cc3ccc(Cl)cc3C#N)C[C@@H]12 ZINC001232607372 1038390545 /nfs/dbraw/zinc/39/05/45/1038390545.db2.gz MQHCLFXKQKXNBG-PKTZIBPZSA-N 1 2 393.918 3.976 20 30 GHEDLO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccc(Cl)cc3C#N)C[C@@H]12 ZINC001232607372 1038390562 /nfs/dbraw/zinc/39/05/62/1038390562.db2.gz MQHCLFXKQKXNBG-PKTZIBPZSA-N 1 2 393.918 3.976 20 30 GHEDLO N#Cc1ccc(O)c(C[NH+]2CCC3(CCC(=O)N3Cc3cccc(F)c3)CC2)c1 ZINC001232677882 1038475937 /nfs/dbraw/zinc/47/59/37/1038475937.db2.gz QZOWLKLEBAXKOM-UHFFFAOYSA-N 1 2 393.462 3.560 20 30 GHEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(OC)c(Cl)cc1OC ZINC001277705333 1038518182 /nfs/dbraw/zinc/51/81/82/1038518182.db2.gz PSGIQGMPPUGNTN-HXUWFJFHSA-N 1 2 378.900 3.500 20 30 GHEDLO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(OC)c(Cl)cc1OC ZINC001277705333 1038518188 /nfs/dbraw/zinc/51/81/88/1038518188.db2.gz PSGIQGMPPUGNTN-HXUWFJFHSA-N 1 2 378.900 3.500 20 30 GHEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2OCCC[C@@]2(COc2ncccc2F)C1 ZINC001232890490 1038675335 /nfs/dbraw/zinc/67/53/35/1038675335.db2.gz GETUQFPEEWSRHQ-UNMCSNQZSA-N 1 2 399.441 3.682 20 30 GHEDLO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2OCCC[C@@]2(COc2ncccc2F)C1 ZINC001232890490 1038675340 /nfs/dbraw/zinc/67/53/40/1038675340.db2.gz GETUQFPEEWSRHQ-UNMCSNQZSA-N 1 2 399.441 3.682 20 30 GHEDLO C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(N(C)C)c(C#N)c1F ZINC001233102203 1038884901 /nfs/dbraw/zinc/88/49/01/1038884901.db2.gz SBKJHLAYZKWSJP-GDBMZVCRSA-N 1 2 390.503 3.641 20 30 GHEDLO C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(N(C)C)c(C#N)c1F ZINC001233102203 1038884925 /nfs/dbraw/zinc/88/49/25/1038884925.db2.gz SBKJHLAYZKWSJP-GDBMZVCRSA-N 1 2 390.503 3.641 20 30 GHEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1ccnc(Cl)c1Br)CC2 ZINC001233179331 1038951492 /nfs/dbraw/zinc/95/14/92/1038951492.db2.gz PSHZBMHMPLCNAU-UHFFFAOYSA-N 1 2 398.732 3.641 20 30 GHEDLO COc1cc(Br)cc(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC001233214858 1038976026 /nfs/dbraw/zinc/97/60/26/1038976026.db2.gz GFBQBGOZZKJRPI-UHFFFAOYSA-N 1 2 386.293 3.652 20 30 GHEDLO C=CCC[C@@H](O)C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1F ZINC001252599907 1039043193 /nfs/dbraw/zinc/04/31/93/1039043193.db2.gz NYGCJYLXGXCHBN-APWZRJJASA-N 1 2 378.488 3.747 20 30 GHEDLO C=CCC[C@@H](O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1F ZINC001252599907 1039043210 /nfs/dbraw/zinc/04/32/10/1039043210.db2.gz NYGCJYLXGXCHBN-APWZRJJASA-N 1 2 378.488 3.747 20 30 GHEDLO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH+]1CC2(CCO2)C1 ZINC001253613601 1039721226 /nfs/dbraw/zinc/72/12/26/1039721226.db2.gz ABCLICYGSOQJGR-NRFANRHFSA-N 1 2 385.589 3.776 20 30 GHEDLO N#CC1(c2ccc(F)cc2)CCC([N@@H+]2CCn3c(nnc3C(F)(F)F)C2)CC1 ZINC001254353809 1040186439 /nfs/dbraw/zinc/18/64/39/1040186439.db2.gz KIIAHCXGMZGMGD-UHFFFAOYSA-N 1 2 393.388 3.656 20 30 GHEDLO N#CC1(c2ccc(F)cc2)CCC([N@H+]2CCn3c(nnc3C(F)(F)F)C2)CC1 ZINC001254353809 1040186442 /nfs/dbraw/zinc/18/64/42/1040186442.db2.gz KIIAHCXGMZGMGD-UHFFFAOYSA-N 1 2 393.388 3.656 20 30 GHEDLO C=CCOC(=O)[C@@H](Cc1ccc(OC(C)(C)C)cc1)[NH2+][C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254943060 1040681470 /nfs/dbraw/zinc/68/14/70/1040681470.db2.gz KQPWIXGGFNGLOE-MDPIYQRISA-N 1 2 399.531 3.852 20 30 GHEDLO CCOC(=O)C1(C#N)CC[NH+]([C@@H](C)Cc2cccc(Br)c2)CC1 ZINC001256189279 1041632572 /nfs/dbraw/zinc/63/25/72/1041632572.db2.gz BUTMVJPBUHADFN-AWEZNQCLSA-N 1 2 379.298 3.549 20 30 GHEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1ccc(-n3ccnc3)c(Cl)c1)CC2 ZINC001236902375 1041947722 /nfs/dbraw/zinc/94/77/22/1041947722.db2.gz HMCDZKFNZWNMSU-UHFFFAOYSA-N 1 2 397.910 3.520 20 30 GHEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1ccc(-n3ccnc3)c(Cl)c1)CC2 ZINC001236902375 1041947724 /nfs/dbraw/zinc/94/77/24/1041947724.db2.gz HMCDZKFNZWNMSU-UHFFFAOYSA-N 1 2 397.910 3.520 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(F)c(N4CCCC4)c3)CC2)c(F)c1 ZINC001237090232 1042031681 /nfs/dbraw/zinc/03/16/81/1042031681.db2.gz WBQOYAVTMWNBLL-UHFFFAOYSA-N 1 2 382.458 3.759 20 30 GHEDLO CC[N@@H+](Cc1cc(C#N)c(F)cc1F)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001237535691 1042254653 /nfs/dbraw/zinc/25/46/53/1042254653.db2.gz CPHLBPPDGPUQKN-FQEVSTJZSA-N 1 2 385.458 3.559 20 30 GHEDLO CC[N@H+](Cc1cc(C#N)c(F)cc1F)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001237535691 1042254657 /nfs/dbraw/zinc/25/46/57/1042254657.db2.gz CPHLBPPDGPUQKN-FQEVSTJZSA-N 1 2 385.458 3.559 20 30 GHEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(OCC)c2Br)C1 ZINC001238689624 1042685744 /nfs/dbraw/zinc/68/57/44/1042685744.db2.gz JOAGSZFSMPEUKC-OAHLLOKOSA-N 1 2 397.313 3.724 20 30 GHEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(OCC)c2Br)C1 ZINC001238689624 1042685751 /nfs/dbraw/zinc/68/57/51/1042685751.db2.gz JOAGSZFSMPEUKC-OAHLLOKOSA-N 1 2 397.313 3.724 20 30 GHEDLO C/C(=C/C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)C[NH+]1CCOCC1 ZINC001291990406 1043556962 /nfs/dbraw/zinc/55/69/62/1043556962.db2.gz IMMMRBCPVOMKHY-LGMDPLHJSA-N 1 2 391.471 3.876 20 30 GHEDLO CCOC(=O)[C@@H](Cc1ccccn1)[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257012452 1043799131 /nfs/dbraw/zinc/79/91/31/1043799131.db2.gz GNFKKXCTBYXTRG-QETWGEEDSA-N 1 2 377.488 3.743 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[C@H]([N@@H+]1CC[C@H]3SC(=O)C=C3C1)C2 ZINC001257810712 1044191997 /nfs/dbraw/zinc/19/19/97/1044191997.db2.gz SHIXBRWIPSNTQN-FVJLSDCUSA-N 1 2 392.565 3.830 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[C@H]([N@H+]1CC[C@H]3SC(=O)C=C3C1)C2 ZINC001257810712 1044192001 /nfs/dbraw/zinc/19/20/01/1044192001.db2.gz SHIXBRWIPSNTQN-FVJLSDCUSA-N 1 2 392.565 3.830 20 30 GHEDLO C=C(C)Cn1c([C@H](CC)OCC)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001263319415 1046710254 /nfs/dbraw/zinc/71/02/54/1046710254.db2.gz PNAZSXBQHRPBDI-SFHVURJKSA-N 1 2 384.528 3.818 20 30 GHEDLO C#CCCCC(=O)N1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC001302216677 1046880064 /nfs/dbraw/zinc/88/00/64/1046880064.db2.gz ZATPJWXJTJGQTM-UHFFFAOYSA-N 1 2 376.500 3.713 20 30 GHEDLO C#CCN(CC)c1nnc(-c2ccc(C)o2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001286438675 1048321559 /nfs/dbraw/zinc/32/15/59/1048321559.db2.gz AFXCYWPPWIQISM-UHFFFAOYSA-N 1 2 392.507 3.596 20 30 GHEDLO C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001286757121 1048510337 /nfs/dbraw/zinc/51/03/37/1048510337.db2.gz GKZSIDWYIZRANS-RTBURBONSA-N 1 2 396.539 3.781 20 30 GHEDLO C[C@@H](C#N)CN(C)c1nnc(C2CCC2)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001286966436 1048558534 /nfs/dbraw/zinc/55/85/34/1048558534.db2.gz STGFELDXGXPBJK-KRWDZBQOSA-N 1 2 393.539 3.575 20 30 GHEDLO CC(C)(C)c1nnc(N(CCC#N)CC2CC2)n1CCCNc1cccc[nH+]1 ZINC001286996534 1048566403 /nfs/dbraw/zinc/56/64/03/1048566403.db2.gz MEHXEGMTMCHKAQ-UHFFFAOYSA-N 1 2 381.528 3.603 20 30 GHEDLO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC001307859349 1049642681 /nfs/dbraw/zinc/64/26/81/1049642681.db2.gz XJWOHAROIDHRLA-UKRRQHHQSA-N 1 2 391.899 3.592 20 30 GHEDLO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC001307859349 1049642689 /nfs/dbraw/zinc/64/26/89/1049642689.db2.gz XJWOHAROIDHRLA-UKRRQHHQSA-N 1 2 391.899 3.592 20 30 GHEDLO C=CC[C@@H]1CCC[N@@H+](CC(=O)N=c2cc[nH]n2Cc2ccc(C(C)C)cc2)C1 ZINC001307914784 1049691491 /nfs/dbraw/zinc/69/14/91/1049691491.db2.gz LDFUJHOAWPBGRG-LJQANCHMSA-N 1 2 380.536 3.703 20 30 GHEDLO C=CC[C@@H]1CCC[N@H+](CC(=O)N=c2cc[nH]n2Cc2ccc(C(C)C)cc2)C1 ZINC001307914784 1049691497 /nfs/dbraw/zinc/69/14/97/1049691497.db2.gz LDFUJHOAWPBGRG-LJQANCHMSA-N 1 2 380.536 3.703 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC001307945660 1049714967 /nfs/dbraw/zinc/71/49/67/1049714967.db2.gz YZMDQZLXLXEQNC-OAHLLOKOSA-N 1 2 398.677 3.780 20 30 GHEDLO COc1cc2c(cc1OC)[C@H](C1CC1)[N@H+](CC(=O)Nc1cccc(C#N)c1)CC2 ZINC001308066850 1049815340 /nfs/dbraw/zinc/81/53/40/1049815340.db2.gz CZKUVOZREBIBPT-QHCPKHFHSA-N 1 2 391.471 3.523 20 30 GHEDLO COc1cc2c(cc1OC)[C@H](C1CC1)[N@@H+](CC(=O)Nc1cccc(C#N)c1)CC2 ZINC001308066850 1049815352 /nfs/dbraw/zinc/81/53/52/1049815352.db2.gz CZKUVOZREBIBPT-QHCPKHFHSA-N 1 2 391.471 3.523 20 30 GHEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@H](c2ccco2)C1 ZINC001343546882 1053864158 /nfs/dbraw/zinc/86/41/58/1053864158.db2.gz UFTAZFNLVNWIFW-IBGZPJMESA-N 1 2 394.523 3.534 20 30 GHEDLO CC1(C#N)CCN(c2nnc(C[NH+]3CCCCC3)n2Cc2cccs2)CC1 ZINC001343602945 1053919597 /nfs/dbraw/zinc/91/95/97/1053919597.db2.gz SCXHOSDVYDYAFB-UHFFFAOYSA-N 1 2 384.553 3.504 20 30 GHEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC001343771989 1054013823 /nfs/dbraw/zinc/01/38/23/1054013823.db2.gz IFMXLPQWVZHMRY-PMACEKPBSA-N 1 2 387.572 3.626 20 30 GHEDLO C=C1CCN(c2nnc([C@@H](C)[N@H+](C)Cc3ccccc3)n2C[C@H]2CCCO2)CC1 ZINC001343833604 1054057195 /nfs/dbraw/zinc/05/71/95/1054057195.db2.gz IHOFQZBIOIXQGR-TZIWHRDSSA-N 1 2 395.551 3.807 20 30 GHEDLO C=C1CCN(c2nnc([C@@H](C)[N@@H+](C)Cc3ccccc3)n2C[C@H]2CCCO2)CC1 ZINC001343833604 1054057205 /nfs/dbraw/zinc/05/72/05/1054057205.db2.gz IHOFQZBIOIXQGR-TZIWHRDSSA-N 1 2 395.551 3.807 20 30 GHEDLO CC(C)C[C@H](c1nnc(N2CCC[C@H](CC#N)C2)n1CC(C)C)n1cc[nH+]c1 ZINC001344457846 1054488208 /nfs/dbraw/zinc/48/82/08/1054488208.db2.gz YIYBWEDGIGDDJC-RTBURBONSA-N 1 2 383.544 3.896 20 30 GHEDLO Nc1cnnc(N=NC2CC[NH+](Cc3c(F)cccc3Cl)CC2)c1Cl ZINC001319753287 1055443977 /nfs/dbraw/zinc/44/39/77/1055443977.db2.gz ZNWXIORNBOLDCK-UHFFFAOYSA-N 1 2 383.258 3.569 20 30 GHEDLO CCOc1ccc2c(c1)C[N@@H+](CC(=O)[C@@H](C#N)c1nc3ccccc3s1)CC2 ZINC001324185659 1057085919 /nfs/dbraw/zinc/08/59/19/1057085919.db2.gz MGFKYKDBEPRTHL-GOSISDBHSA-N 1 2 391.496 3.930 20 30 GHEDLO CCOc1ccc2c(c1)C[N@H+](CC(=O)[C@@H](C#N)c1nc3ccccc3s1)CC2 ZINC001324185659 1057085925 /nfs/dbraw/zinc/08/59/25/1057085925.db2.gz MGFKYKDBEPRTHL-GOSISDBHSA-N 1 2 391.496 3.930 20 30 GHEDLO O=S(=O)(c1ccc(N[NH+]=Cc2ccccc2N2CCCC2)cc1)C(F)F ZINC001325622332 1057346907 /nfs/dbraw/zinc/34/69/07/1057346907.db2.gz SKYOLHGWKWXNKK-UHFFFAOYSA-N 1 2 379.432 3.729 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC2(C1)CCOCC2 ZINC001356240289 1057444243 /nfs/dbraw/zinc/44/42/43/1057444243.db2.gz XKVPBZYZYSLHEY-LJQANCHMSA-N 1 2 398.555 3.693 20 30 GHEDLO CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC001356264911 1057452450 /nfs/dbraw/zinc/45/24/50/1057452450.db2.gz GXKCMYMOUZTVGN-KRWDZBQOSA-N 1 2 395.459 3.625 20 30 GHEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCCC[C@H](COC)C1 ZINC001339773437 1059458734 /nfs/dbraw/zinc/45/87/34/1059458734.db2.gz AOCHEOOUCHMSNJ-CTNGQTDRSA-N 1 2 397.567 3.910 20 30 GHEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCCC[C@H](COC)C1 ZINC001339773437 1059458750 /nfs/dbraw/zinc/45/87/50/1059458750.db2.gz AOCHEOOUCHMSNJ-CTNGQTDRSA-N 1 2 397.567 3.910 20 30 GHEDLO C=CCn1c(N2CCC(Nc3cccc[nH+]3)CC2)nnc1C(F)(F)CC1CC1 ZINC001339930523 1059565043 /nfs/dbraw/zinc/56/50/43/1059565043.db2.gz KNROZBDBOMKGOS-UHFFFAOYSA-N 1 2 388.466 3.832 20 30 GHEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCC[C@@H]1c1ccccc1 ZINC001340195221 1059755254 /nfs/dbraw/zinc/75/52/54/1059755254.db2.gz ITIZBSOCUSQBDJ-NJYVYQBISA-N 1 2 393.535 3.731 20 30 GHEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCC[C@@H]1c1ccccc1 ZINC001340195221 1059755268 /nfs/dbraw/zinc/75/52/68/1059755268.db2.gz ITIZBSOCUSQBDJ-NJYVYQBISA-N 1 2 393.535 3.731 20 30 GHEDLO CCn1c([C@H]2CCCC[N@@H+]2Cc2ccccc2)nnc1N1CCC[C@@H](C#N)C1 ZINC001341126080 1060426070 /nfs/dbraw/zinc/42/60/70/1060426070.db2.gz BHCAXAYUVOHZDJ-VQTJNVASSA-N 1 2 378.524 3.765 20 30 GHEDLO CCn1c([C@H]2CCCC[N@H+]2Cc2ccccc2)nnc1N1CCC[C@@H](C#N)C1 ZINC001341126080 1060426083 /nfs/dbraw/zinc/42/60/83/1060426083.db2.gz BHCAXAYUVOHZDJ-VQTJNVASSA-N 1 2 378.524 3.765 20 30 GHEDLO C=C(C)Cn1c(Cc2[nH+]ccn2Cc2ccccc2)nnc1N1CCC(=C)CC1 ZINC001341756149 1060863842 /nfs/dbraw/zinc/86/38/42/1060863842.db2.gz POINLFBTIKDDIG-UHFFFAOYSA-N 1 2 388.519 3.846 20 30 GHEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CC[C@H](c2ccccc2)[C@@H]1C ZINC001341756303 1060865784 /nfs/dbraw/zinc/86/57/84/1060865784.db2.gz RORIGOLDGRHQNC-HKUYNNGSSA-N 1 2 376.508 3.561 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC001342225958 1061154296 /nfs/dbraw/zinc/15/42/96/1061154296.db2.gz SJZDQUMVBMXPOW-AABGKKOBSA-N 1 2 387.572 3.797 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC001342225958 1061154300 /nfs/dbraw/zinc/15/43/00/1061154300.db2.gz SJZDQUMVBMXPOW-AABGKKOBSA-N 1 2 387.572 3.797 20 30 GHEDLO CN(C)c1[nH+]cccc1/C=C\C(=O)c1ccc(I)cc1 ZINC001342256477 1061179000 /nfs/dbraw/zinc/17/90/00/1061179000.db2.gz ZPTIWRMTZXVCRB-YFHOEESVSA-N 1 2 378.213 3.648 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC001346188496 1061437549 /nfs/dbraw/zinc/43/75/49/1061437549.db2.gz ZYYNSQZXZAFRPY-HOJAQTOUSA-N 1 2 381.524 3.587 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC001346188496 1061437555 /nfs/dbraw/zinc/43/75/55/1061437555.db2.gz ZYYNSQZXZAFRPY-HOJAQTOUSA-N 1 2 381.524 3.587 20 30 GHEDLO C#Cc1cccc(N(C)C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000847126461 1064742064 /nfs/dbraw/zinc/74/20/64/1064742064.db2.gz WSHNGZJPAGYVFY-ROUUACIJSA-N 1 2 377.488 3.945 20 30 GHEDLO C#CC[N@H+]1CCCN(C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)CC1 ZINC001465278410 1065521020 /nfs/dbraw/zinc/52/10/20/1065521020.db2.gz JZDJAVBJVNSXOW-UHFFFAOYSA-N 1 2 392.377 3.626 20 30 GHEDLO C#CC[N@@H+]1CCCN(C(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)CC1 ZINC001465278410 1065521030 /nfs/dbraw/zinc/52/10/30/1065521030.db2.gz JZDJAVBJVNSXOW-UHFFFAOYSA-N 1 2 392.377 3.626 20 30 GHEDLO C#CCOCCC(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001466270484 1066066479 /nfs/dbraw/zinc/06/64/79/1066066479.db2.gz URYXKQJHFSMSPA-HSZRJFAPSA-N 1 2 396.918 3.614 20 30 GHEDLO CC(C)C[C@@H](C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)n1cc[nH+]c1 ZINC001466335767 1066098259 /nfs/dbraw/zinc/09/82/59/1066098259.db2.gz FHADJSJJHCFMKV-KRWDZBQOSA-N 1 2 382.855 3.820 20 30 GHEDLO N#Cc1ccc(C2(NC(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)CCC2)cc1 ZINC001477586263 1078477309 /nfs/dbraw/zinc/47/73/09/1078477309.db2.gz BHCBNTRRYRUDPX-UHFFFAOYSA-N 1 2 389.434 3.762 20 30 GHEDLO CC[C@H]1CCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2Cc2ccccc2)C1 ZINC001357874437 1067315838 /nfs/dbraw/zinc/31/58/38/1067315838.db2.gz VAPBAVYPMORWRV-IBGZPJMESA-N 1 2 392.551 3.656 20 30 GHEDLO CC(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC(F)(F)C[C@@H]1C ZINC001358098177 1067397372 /nfs/dbraw/zinc/39/73/72/1067397372.db2.gz ZLSNRVZICNELHE-INIZCTEOSA-N 1 2 394.514 3.651 20 30 GHEDLO COc1cc(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2cnn(CC(C)C)c2)ccc1C#N ZINC000849481033 1067862014 /nfs/dbraw/zinc/86/20/14/1067862014.db2.gz KLSPJWOLTFHSOP-QFIPXVFZSA-N 1 2 394.519 3.773 20 30 GHEDLO COc1cc(C[N@H+]2CC3(CCOCC3)[C@@H]2c2cnn(CC(C)C)c2)ccc1C#N ZINC000849481033 1067862017 /nfs/dbraw/zinc/86/20/17/1067862017.db2.gz KLSPJWOLTFHSOP-QFIPXVFZSA-N 1 2 394.519 3.773 20 30 GHEDLO C=CCN(C)c1nnc(CSc2ccc(C)cc2)n1Cc1c[nH+]ccc1OC ZINC001359244575 1067862368 /nfs/dbraw/zinc/86/23/68/1067862368.db2.gz IUCSLXLMVLLZNI-UHFFFAOYSA-N 1 2 395.532 3.953 20 30 GHEDLO CCCCCCCCC[N@@H+]1CCNC(=O)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001460559601 1068996231 /nfs/dbraw/zinc/99/62/31/1068996231.db2.gz JSIXUNMAVUVPFP-UHFFFAOYSA-N 1 2 381.561 3.548 20 30 GHEDLO CCCCCCCCC[N@H+]1CCNC(=O)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001460559601 1068996232 /nfs/dbraw/zinc/99/62/32/1068996232.db2.gz JSIXUNMAVUVPFP-UHFFFAOYSA-N 1 2 381.561 3.548 20 30 GHEDLO CC(C)C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)NC[C@@H](C)C#N ZINC001478412226 1078857530 /nfs/dbraw/zinc/85/75/30/1078857530.db2.gz HPFITTGHBVYJFA-QFBILLFUSA-N 1 2 376.932 3.742 20 30 GHEDLO CC(C)C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)NC[C@@H](C)C#N ZINC001478412226 1078857542 /nfs/dbraw/zinc/85/75/42/1078857542.db2.gz HPFITTGHBVYJFA-QFBILLFUSA-N 1 2 376.932 3.742 20 30 GHEDLO COc1ccccc1[C@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CCO1 ZINC001473724505 1074109093 /nfs/dbraw/zinc/10/90/93/1074109093.db2.gz TWSDYFKVZIDCBB-HXUWFJFHSA-N 1 2 399.878 3.622 20 30 GHEDLO COc1ccccc1[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CCO1 ZINC001473724505 1074109100 /nfs/dbraw/zinc/10/91/00/1074109100.db2.gz TWSDYFKVZIDCBB-HXUWFJFHSA-N 1 2 399.878 3.622 20 30 GHEDLO Cc1ccc(CNC(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)cc1C#N ZINC001475872785 1075038311 /nfs/dbraw/zinc/03/83/11/1075038311.db2.gz JGLGYMGHRBFVAD-CQSZACIVSA-N 1 2 383.521 3.877 20 30 GHEDLO Cc1ccc(CNC(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)cc1C#N ZINC001475872785 1075038314 /nfs/dbraw/zinc/03/83/14/1075038314.db2.gz JGLGYMGHRBFVAD-CQSZACIVSA-N 1 2 383.521 3.877 20 30 GHEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000120242235 834981865 /nfs/dbraw/zinc/98/18/65/834981865.db2.gz OAALDCBZZZRSRY-IBGZPJMESA-N 1 2 386.459 3.509 20 30 GHEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000120242235 834981873 /nfs/dbraw/zinc/98/18/73/834981873.db2.gz OAALDCBZZZRSRY-IBGZPJMESA-N 1 2 386.459 3.509 20 30 GHEDLO C[N@H+](CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)Cc1cccc(C#N)c1 ZINC000052580245 835030676 /nfs/dbraw/zinc/03/06/76/835030676.db2.gz YTNDOQQNBFRZBT-UHFFFAOYSA-N 1 2 387.365 3.524 20 30 GHEDLO C[N@@H+](CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)Cc1cccc(C#N)c1 ZINC000052580245 835030686 /nfs/dbraw/zinc/03/06/86/835030686.db2.gz YTNDOQQNBFRZBT-UHFFFAOYSA-N 1 2 387.365 3.524 20 30 GHEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)Nc2nc3c(s2)CCCC3(C)C)CCO1 ZINC000329443224 835049225 /nfs/dbraw/zinc/04/92/25/835049225.db2.gz BUZXTPFOJYBSPE-OCCSQVGLSA-N 1 2 389.525 3.737 20 30 GHEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H](C#N)CCc1ccccc1 ZINC000433355208 844039343 /nfs/dbraw/zinc/03/93/43/844039343.db2.gz OUFDQOSMRFLNPD-OAQYLSRUSA-N 1 2 377.488 3.538 20 30 GHEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]1c1ccc(Br)c(C)c1 ZINC000430237933 835324517 /nfs/dbraw/zinc/32/45/17/835324517.db2.gz KILXTWJBDNFIGR-KSSFIOAISA-N 1 2 392.341 3.903 20 30 GHEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]1c1ccc(Br)c(C)c1 ZINC000430237933 835324523 /nfs/dbraw/zinc/32/45/23/835324523.db2.gz KILXTWJBDNFIGR-KSSFIOAISA-N 1 2 392.341 3.903 20 30 GHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)N1CCc2ccccc2C1 ZINC000512521634 844053776 /nfs/dbraw/zinc/05/37/76/844053776.db2.gz HVNHLDULSLYOMK-LJQANCHMSA-N 1 2 380.536 3.816 20 30 GHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)N1CCc2ccccc2C1 ZINC000512521634 844053786 /nfs/dbraw/zinc/05/37/86/844053786.db2.gz HVNHLDULSLYOMK-LJQANCHMSA-N 1 2 380.536 3.816 20 30 GHEDLO N#Cc1cccc(C[N@H+](CC(N)=O)Cc2ccc(OCc3ccccc3)cc2)c1 ZINC000052798019 835580741 /nfs/dbraw/zinc/58/07/41/835580741.db2.gz YVSNOIWROWKWAN-UHFFFAOYSA-N 1 2 385.467 3.625 20 30 GHEDLO N#Cc1cccc(C[N@@H+](CC(N)=O)Cc2ccc(OCc3ccccc3)cc2)c1 ZINC000052798019 835580752 /nfs/dbraw/zinc/58/07/52/835580752.db2.gz YVSNOIWROWKWAN-UHFFFAOYSA-N 1 2 385.467 3.625 20 30 GHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000512526130 844067491 /nfs/dbraw/zinc/06/74/91/844067491.db2.gz DBDBYXUHHAEUHE-GHTZIAJQSA-N 1 2 396.535 3.871 20 30 GHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000512526130 844067499 /nfs/dbraw/zinc/06/74/99/844067499.db2.gz DBDBYXUHHAEUHE-GHTZIAJQSA-N 1 2 396.535 3.871 20 30 GHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H]1CCN(c2ccccc2OC)C1=O ZINC000512532673 844087492 /nfs/dbraw/zinc/08/74/92/844087492.db2.gz UAJCTUHUDHLKHY-HXUWFJFHSA-N 1 2 382.508 3.656 20 30 GHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H]1CCN(c2ccccc2OC)C1=O ZINC000512532673 844087496 /nfs/dbraw/zinc/08/74/96/844087496.db2.gz UAJCTUHUDHLKHY-HXUWFJFHSA-N 1 2 382.508 3.656 20 30 GHEDLO Cc1c(C#N)cccc1NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000179881829 836226770 /nfs/dbraw/zinc/22/67/70/836226770.db2.gz SSMDPAKTTZGUTK-UXHICEINSA-N 1 2 398.894 3.714 20 30 GHEDLO Cc1c(C#N)cccc1NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000179881829 836226778 /nfs/dbraw/zinc/22/67/78/836226778.db2.gz SSMDPAKTTZGUTK-UXHICEINSA-N 1 2 398.894 3.714 20 30 GHEDLO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[NH2+][C@@H](CC)CC#N)cc2)cc1 ZINC000570223309 836550381 /nfs/dbraw/zinc/55/03/81/836550381.db2.gz RUIGNJPBXNGNIS-KRWDZBQOSA-N 1 2 394.475 3.558 20 30 GHEDLO N#Cc1cccc(Oc2ccc(NC(=O)NCc3ccn4cc[nH+]c4c3)cn2)c1 ZINC000610772831 844180221 /nfs/dbraw/zinc/18/02/21/844180221.db2.gz KTEAEZLGAIEDQD-UHFFFAOYSA-N 1 2 384.399 3.715 20 30 GHEDLO C#CC[N@H+](Cc1ccc(F)cc1)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC001167273925 837128477 /nfs/dbraw/zinc/12/84/77/837128477.db2.gz VEXIOKWTIFBYRJ-QGZVFWFLSA-N 1 2 381.426 3.735 20 30 GHEDLO C#CC[N@@H+](Cc1ccc(F)cc1)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC001167273925 837128485 /nfs/dbraw/zinc/12/84/85/837128485.db2.gz VEXIOKWTIFBYRJ-QGZVFWFLSA-N 1 2 381.426 3.735 20 30 GHEDLO N#CC1(F)CC[NH+](Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000510965443 844260081 /nfs/dbraw/zinc/26/00/81/844260081.db2.gz FOXNGSSLDMLNGT-UHFFFAOYSA-N 1 2 375.245 3.734 20 30 GHEDLO C[N@H+](Cc1csc(Br)c1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000177022540 837841263 /nfs/dbraw/zinc/84/12/63/837841263.db2.gz PXIYDPAUARLJGH-GFCCVEGCSA-N 1 2 396.335 3.681 20 30 GHEDLO C[N@@H+](Cc1csc(Br)c1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000177022540 837841272 /nfs/dbraw/zinc/84/12/72/837841272.db2.gz PXIYDPAUARLJGH-GFCCVEGCSA-N 1 2 396.335 3.681 20 30 GHEDLO Cc1cc(C#N)cnc1C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000549338711 837997162 /nfs/dbraw/zinc/99/71/62/837997162.db2.gz GDWODMHVDZLSGF-QGZVFWFLSA-N 1 2 386.858 3.621 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000376549590 838015081 /nfs/dbraw/zinc/01/50/81/838015081.db2.gz ABAXFTOHTXNKSP-SJLPKXTDSA-N 1 2 396.516 3.568 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000376549590 838015091 /nfs/dbraw/zinc/01/50/91/838015091.db2.gz ABAXFTOHTXNKSP-SJLPKXTDSA-N 1 2 396.516 3.568 20 30 GHEDLO C[C@H](c1nnc(SCCOCCC#N)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000549340789 838015268 /nfs/dbraw/zinc/01/52/68/838015268.db2.gz ZZHYYKXJMLKBRM-QGZVFWFLSA-N 1 2 385.537 3.837 20 30 GHEDLO O=C(/C=C\c1cccc2[nH+]ccn21)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 ZINC000255165800 838685194 /nfs/dbraw/zinc/68/51/94/838685194.db2.gz NEATVOQXQUFFSI-TWGQIWQCSA-N 1 2 394.374 3.566 20 30 GHEDLO Cn1cc[nH+]c1C[C@H](NC(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccccc1 ZINC000610366831 838717367 /nfs/dbraw/zinc/71/73/67/838717367.db2.gz FPBYMTWUUXRGPB-SFHVURJKSA-N 1 2 390.491 3.954 20 30 GHEDLO N#CCCn1cc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c(-c2ccccc2)n1 ZINC000377254610 839181535 /nfs/dbraw/zinc/18/15/35/839181535.db2.gz VZALRKPPHWSPJI-HSZRJFAPSA-N 1 2 397.482 3.909 20 30 GHEDLO N#CCCn1cc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c(-c2ccccc2)n1 ZINC000377254610 839181538 /nfs/dbraw/zinc/18/15/38/839181538.db2.gz VZALRKPPHWSPJI-HSZRJFAPSA-N 1 2 397.482 3.909 20 30 GHEDLO N#Cc1ccc(CNc2ccccc2C[NH+]2CCOCC2)c(Br)c1 ZINC000417005945 840361782 /nfs/dbraw/zinc/36/17/82/840361782.db2.gz FDJHRPGBSIWPOV-UHFFFAOYSA-N 1 2 386.293 3.765 20 30 GHEDLO COc1ccccc1C[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000584783132 840850937 /nfs/dbraw/zinc/85/09/37/840850937.db2.gz OWWXQSKNDKAIST-IBGZPJMESA-N 1 2 381.432 3.656 20 30 GHEDLO COc1ccccc1C[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000584783132 840850949 /nfs/dbraw/zinc/85/09/49/840850949.db2.gz OWWXQSKNDKAIST-IBGZPJMESA-N 1 2 381.432 3.656 20 30 GHEDLO CN(C)c1ncc(C[N@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cn1 ZINC000510426950 841423433 /nfs/dbraw/zinc/42/34/33/841423433.db2.gz GAYUIMFAQNHZMU-UHFFFAOYSA-N 1 2 375.451 3.756 20 30 GHEDLO CN(C)c1ncc(C[N@@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cn1 ZINC000510426950 841423436 /nfs/dbraw/zinc/42/34/36/841423436.db2.gz GAYUIMFAQNHZMU-UHFFFAOYSA-N 1 2 375.451 3.756 20 30 GHEDLO COc1ccc(Br)c([C@H](CO)[N@H+](C)Cc2ccc(C)c(C#N)c2)c1 ZINC000599433994 861204035 /nfs/dbraw/zinc/20/40/35/861204035.db2.gz OQLYQRAFUUPCQU-IBGZPJMESA-N 1 2 389.293 3.803 20 30 GHEDLO COc1ccc(Br)c([C@H](CO)[N@@H+](C)Cc2ccc(C)c(C#N)c2)c1 ZINC000599433994 861204055 /nfs/dbraw/zinc/20/40/55/861204055.db2.gz OQLYQRAFUUPCQU-IBGZPJMESA-N 1 2 389.293 3.803 20 30 GHEDLO N#Cc1ccccc1COc1cccc(C[NH2+]Cc2nnc3n2CCCCC3)c1 ZINC000066904909 842143222 /nfs/dbraw/zinc/14/32/22/842143222.db2.gz GVXJYSOWYRLYQW-UHFFFAOYSA-N 1 2 387.487 3.745 20 30 GHEDLO N#Cc1cccc(COc2cccc(CN3CC[NH+](Cc4cccnc4)CC3)c2)c1 ZINC000182055500 842520453 /nfs/dbraw/zinc/52/04/53/842520453.db2.gz TXKJATSMWRETIP-UHFFFAOYSA-N 1 2 398.510 3.850 20 30 GHEDLO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1nc(C(F)(F)F)cs1 ZINC000279066209 842540175 /nfs/dbraw/zinc/54/01/75/842540175.db2.gz ZTIFLUAUPMJLNH-GFCCVEGCSA-N 1 2 382.411 3.759 20 30 GHEDLO Cc1n[nH]c(C)c1[C@@H]1CCCN1C([O-])=[NH+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329368056 861335163 /nfs/dbraw/zinc/33/51/63/861335163.db2.gz JCIXIYVAXYQANW-HOTGVXAUSA-N 1 2 384.528 3.586 20 30 GHEDLO CCc1noc([C@H]2CCC[N@H+](Cc3cc(Br)ccc3C#N)C2)n1 ZINC001141904774 861341673 /nfs/dbraw/zinc/34/16/73/861341673.db2.gz CVQPYYCVORGYFM-ZDUSSCGKSA-N 1 2 375.270 3.646 20 30 GHEDLO CCc1noc([C@H]2CCC[N@@H+](Cc3cc(Br)ccc3C#N)C2)n1 ZINC001141904774 861341682 /nfs/dbraw/zinc/34/16/82/861341682.db2.gz CVQPYYCVORGYFM-ZDUSSCGKSA-N 1 2 375.270 3.646 20 30 GHEDLO Cc1nn(-c2ccccc2)cc1C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000512226877 843145524 /nfs/dbraw/zinc/14/55/24/843145524.db2.gz JWDCGJZFPKVKMZ-UHFFFAOYSA-N 1 2 375.451 3.514 20 30 GHEDLO COc1cc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)ccc1OC(C)C ZINC000512230782 843153438 /nfs/dbraw/zinc/15/34/38/843153438.db2.gz WXVCLILANFJGMI-UHFFFAOYSA-N 1 2 383.467 3.815 20 30 GHEDLO N#Cc1cccc(OCc2cccc(C(=O)NCc3ccn4cc[nH+]c4c3)c2)c1 ZINC000178355129 843286902 /nfs/dbraw/zinc/28/69/02/843286902.db2.gz XLTRCURZRBAGLW-UHFFFAOYSA-N 1 2 382.423 3.715 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCCSc3ccccc3)CC2)cc1 ZINC000105294423 843527653 /nfs/dbraw/zinc/52/76/53/843527653.db2.gz AALPAJNUYLURKB-UHFFFAOYSA-N 1 2 394.544 3.568 20 30 GHEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000474921261 861445448 /nfs/dbraw/zinc/44/54/48/861445448.db2.gz BNNZGRHITIDPPC-UHFFFAOYSA-N 1 2 375.350 3.848 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)CCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000500602982 843715639 /nfs/dbraw/zinc/71/56/39/843715639.db2.gz BOBBNYNJSCLAEM-DLBZAZTESA-N 1 2 380.895 3.853 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)NCC(C)(C)CCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000500602982 843715644 /nfs/dbraw/zinc/71/56/44/843715644.db2.gz BOBBNYNJSCLAEM-DLBZAZTESA-N 1 2 380.895 3.853 20 30 GHEDLO CN(C)C[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccc(Cl)c(Cl)c1 ZINC000599626014 861452717 /nfs/dbraw/zinc/45/27/17/861452717.db2.gz CQUCHBHKVCMSSA-HNNXBMFYSA-N 1 2 397.331 3.758 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000512818731 843815098 /nfs/dbraw/zinc/81/50/98/843815098.db2.gz XZOROZKYSZVTQC-OLZOCXBDSA-N 1 2 397.491 3.777 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@H](COC(F)F)C1 ZINC000512818731 843815111 /nfs/dbraw/zinc/81/51/11/843815111.db2.gz XZOROZKYSZVTQC-OLZOCXBDSA-N 1 2 397.491 3.777 20 30 GHEDLO C=CCOc1ccc(C[NH+]2CCN(Cc3csc(CC)n3)CC2)cc1OC ZINC000092504883 843838937 /nfs/dbraw/zinc/83/89/37/843838937.db2.gz HHWXRVQOGYGZIX-UHFFFAOYSA-N 1 2 387.549 3.597 20 30 GHEDLO CC[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@H](C)c1ccc(F)cc1 ZINC000728914218 843919798 /nfs/dbraw/zinc/91/97/98/843919798.db2.gz DDXQPTBYNBBTEA-RDTXWAMCSA-N 1 2 392.434 3.734 20 30 GHEDLO CC[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)[C@H](C)c1ccc(F)cc1 ZINC000728914218 843919803 /nfs/dbraw/zinc/91/98/03/843919803.db2.gz DDXQPTBYNBBTEA-RDTXWAMCSA-N 1 2 392.434 3.734 20 30 GHEDLO COc1ccc([C@@H](NC(=O)C[N@@H+]2CCc3c(CC#N)cccc3C2)C(C)C)cc1 ZINC000599675390 861474145 /nfs/dbraw/zinc/47/41/45/861474145.db2.gz KLKLWAQDQNRHJQ-DEOSSOPVSA-N 1 2 391.515 3.633 20 30 GHEDLO COc1ccc([C@@H](NC(=O)C[N@H+]2CCc3c(CC#N)cccc3C2)C(C)C)cc1 ZINC000599675390 861474158 /nfs/dbraw/zinc/47/41/58/861474158.db2.gz KLKLWAQDQNRHJQ-DEOSSOPVSA-N 1 2 391.515 3.633 20 30 GHEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc2nc(C(F)F)sc2c1 ZINC000329471695 861494520 /nfs/dbraw/zinc/49/45/20/861494520.db2.gz ZRLIRDLGBPVAGT-AAEUAGOBSA-N 1 2 396.463 3.574 20 30 GHEDLO C#CCOc1ccc(F)cc1NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282438372 861550022 /nfs/dbraw/zinc/55/00/22/861550022.db2.gz FUGHLHCFXXAIEX-INIZCTEOSA-N 1 2 396.466 3.782 20 30 GHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000614235916 845372314 /nfs/dbraw/zinc/37/23/14/845372314.db2.gz PKSVYCMMGIREOC-XMSQKQJNSA-N 1 2 388.471 3.534 20 30 GHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000614235916 845372329 /nfs/dbraw/zinc/37/23/29/845372329.db2.gz PKSVYCMMGIREOC-XMSQKQJNSA-N 1 2 388.471 3.534 20 30 GHEDLO O=C(Nc1ccn2cc[nH+]c2c1)N1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000329518609 861574911 /nfs/dbraw/zinc/57/49/11/861574911.db2.gz NRNJFPAVIJJLTG-INIZCTEOSA-N 1 2 393.495 3.925 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000555685432 861576484 /nfs/dbraw/zinc/57/64/84/861576484.db2.gz LCUBBIFLMODELM-QGZVFWFLSA-N 1 2 390.270 3.957 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000555685432 861576488 /nfs/dbraw/zinc/57/64/88/861576488.db2.gz LCUBBIFLMODELM-QGZVFWFLSA-N 1 2 390.270 3.957 20 30 GHEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429132201 861700901 /nfs/dbraw/zinc/70/09/01/861700901.db2.gz DOOOSSIKXMZEAZ-SJORKVTESA-N 1 2 381.451 3.744 20 30 GHEDLO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000429132201 861700907 /nfs/dbraw/zinc/70/09/07/861700907.db2.gz DOOOSSIKXMZEAZ-SJORKVTESA-N 1 2 381.451 3.744 20 30 GHEDLO C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000329595614 861730513 /nfs/dbraw/zinc/73/05/13/861730513.db2.gz OXNFNIMKWPSNAY-HZPDHXFCSA-N 1 2 376.476 3.791 20 30 GHEDLO C=CCOc1ccc(C[NH+]2CC(n3cc(-c4ccccc4)nn3)C2)cc1OC ZINC000501715545 847118839 /nfs/dbraw/zinc/11/88/39/847118839.db2.gz GDICGMYOIALZDL-UHFFFAOYSA-N 1 2 376.460 3.575 20 30 GHEDLO N#Cc1ccncc1N1CCN(c2[nH+]ccc3cc(C(F)(F)F)ccc32)CC1 ZINC000582527696 847485505 /nfs/dbraw/zinc/48/55/05/847485505.db2.gz JNVGLLHXWROYQP-UHFFFAOYSA-N 1 2 383.377 3.847 20 30 GHEDLO N#Cc1ccc(C2=CCN(C(=O)NCc3cccc(-n4cc[nH+]c4)c3)CC2)cc1 ZINC000502284149 847692291 /nfs/dbraw/zinc/69/22/91/847692291.db2.gz WUSCBBKPKXPOSX-UHFFFAOYSA-N 1 2 383.455 3.743 20 30 GHEDLO COc1ccc([C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)c2nccn2C)cc1 ZINC000237276265 847851987 /nfs/dbraw/zinc/85/19/87/847851987.db2.gz IJDCEKXGEJPRKY-JOCHJYFZSA-N 1 2 390.487 3.990 20 30 GHEDLO C=CCNC(=O)[C@H](C)Sc1nnc([C@@H](C)[NH+]2CCCCC2)n1-c1ccccc1 ZINC000025744066 861916750 /nfs/dbraw/zinc/91/67/50/861916750.db2.gz MCWHMHGOSLHMGU-SJORKVTESA-N 1 2 399.564 3.597 20 30 GHEDLO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)ccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000503962470 849803312 /nfs/dbraw/zinc/80/33/12/849803312.db2.gz LEDAROHGJHNQEX-MJGOQNOKSA-N 1 2 386.858 3.700 20 30 GHEDLO CC(C)[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)ccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000503962470 849803320 /nfs/dbraw/zinc/80/33/20/849803320.db2.gz LEDAROHGJHNQEX-MJGOQNOKSA-N 1 2 386.858 3.700 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000434985534 849973675 /nfs/dbraw/zinc/97/36/75/849973675.db2.gz BHXPDPOATQBFHH-DEOSSOPVSA-N 1 2 385.515 3.872 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)c1C ZINC000027440567 850075808 /nfs/dbraw/zinc/07/58/08/850075808.db2.gz MMDIVSWVUPOEEM-UHFFFAOYSA-N 1 2 397.494 3.507 20 30 GHEDLO C=CCCc1ccccc1NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000505052716 850573342 /nfs/dbraw/zinc/57/33/42/850573342.db2.gz XDYGBMXWYNGZIJ-OAQYLSRUSA-N 1 2 379.504 3.828 20 30 GHEDLO C=CCCc1ccccc1NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000505052716 850573349 /nfs/dbraw/zinc/57/33/49/850573349.db2.gz XDYGBMXWYNGZIJ-OAQYLSRUSA-N 1 2 379.504 3.828 20 30 GHEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)c1ccc(C#N)s1 ZINC000487311836 850682818 /nfs/dbraw/zinc/68/28/18/850682818.db2.gz QHAKNEVDSMXWMW-UHFFFAOYSA-N 1 2 394.500 3.948 20 30 GHEDLO N#Cc1ccc(CS(=O)(=O)N(Cc2ccccc2)c2cc[nH+]cc2)c(F)c1 ZINC000440057446 850746611 /nfs/dbraw/zinc/74/66/11/850746611.db2.gz WDUHBHMORSOLJJ-UHFFFAOYSA-N 1 2 381.432 3.629 20 30 GHEDLO CCCC[C@H]([NH2+]Cc1nc(C#N)cs1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000569860635 850801478 /nfs/dbraw/zinc/80/14/78/850801478.db2.gz HRVLXYFBOIOZGZ-IBGZPJMESA-N 1 2 397.548 3.902 20 30 GHEDLO C=C(C)[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)s1)c1ccc(F)c(F)c1 ZINC000425430111 851040724 /nfs/dbraw/zinc/04/07/24/851040724.db2.gz DAZLPSOJXPUVEP-QGZVFWFLSA-N 1 2 386.489 3.684 20 30 GHEDLO C=CC[NH+]1CCC(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000171537094 862356554 /nfs/dbraw/zinc/35/65/54/862356554.db2.gz RRAZTRBSCZDYOG-UHFFFAOYSA-N 1 2 383.728 3.576 20 30 GHEDLO N#C[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1cccc(C(F)(F)F)c1 ZINC000505948061 852666961 /nfs/dbraw/zinc/66/69/61/852666961.db2.gz MSBINPLABJIWCT-GOSISDBHSA-N 1 2 384.361 3.945 20 30 GHEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000507225989 852689544 /nfs/dbraw/zinc/68/95/44/852689544.db2.gz AVECWRWVAWPPNQ-VBKZILBWSA-N 1 2 383.879 3.784 20 30 GHEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000507225989 852689554 /nfs/dbraw/zinc/68/95/54/852689554.db2.gz AVECWRWVAWPPNQ-VBKZILBWSA-N 1 2 383.879 3.784 20 30 GHEDLO CCC[C@@H](NC(=O)[C@H](C)[NH+]1CCN(c2ccccc2C#N)CC1)c1ccccc1 ZINC000507292049 852765146 /nfs/dbraw/zinc/76/51/46/852765146.db2.gz KEJXSCUOHKVRJO-SIKLNZKXSA-N 1 2 390.531 3.726 20 30 GHEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282486823 862413703 /nfs/dbraw/zinc/41/37/03/862413703.db2.gz XYZGWYZXDBWFPD-SFHVURJKSA-N 1 2 392.503 3.655 20 30 GHEDLO O=C(NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)N[C@H]1CCCc2occc21 ZINC000329929227 862433022 /nfs/dbraw/zinc/43/30/22/862433022.db2.gz YPLNGZBYKRWQKM-ZQIUZPCESA-N 1 2 377.485 3.835 20 30 GHEDLO O=C(NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)N[C@H]1CCCc2occc21 ZINC000329929227 862433023 /nfs/dbraw/zinc/43/30/23/862433023.db2.gz YPLNGZBYKRWQKM-ZQIUZPCESA-N 1 2 377.485 3.835 20 30 GHEDLO C=CCCC[C@H](C)NC(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000556036015 862441084 /nfs/dbraw/zinc/44/10/84/862441084.db2.gz IWANFWULALOAMC-INIZCTEOSA-N 1 2 380.492 3.686 20 30 GHEDLO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[N@@H+]3CCC[C@@H]3CO)sc2C1 ZINC000426406497 853715891 /nfs/dbraw/zinc/71/58/91/853715891.db2.gz PWSNVJQDOLUJFM-LSDHHAIUSA-N 1 2 389.565 3.556 20 30 GHEDLO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[N@H+]3CCC[C@@H]3CO)sc2C1 ZINC000426406497 853715894 /nfs/dbraw/zinc/71/58/94/853715894.db2.gz PWSNVJQDOLUJFM-LSDHHAIUSA-N 1 2 389.565 3.556 20 30 GHEDLO O=C(Nc1nccn1-c1ccccc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000328759650 854530889 /nfs/dbraw/zinc/53/08/89/854530889.db2.gz WXSRJGIQNBAYHO-KRWDZBQOSA-N 1 2 390.491 3.830 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(CC(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000328799831 854561724 /nfs/dbraw/zinc/56/17/24/854561724.db2.gz XXYNKKAZHLUJPU-UHFFFAOYSA-N 1 2 392.547 3.601 20 30 GHEDLO CN(C[C@@H]1CCC[C@@H]1O)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000328848353 854575441 /nfs/dbraw/zinc/57/54/41/854575441.db2.gz RBCRELZIEDCTMJ-QGTPRVQTSA-N 1 2 397.922 3.623 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC[C@@H]3[C@H]3CCCO3)n2)C1 ZINC000328857401 854580125 /nfs/dbraw/zinc/58/01/25/854580125.db2.gz XVYZKJFUKSFQIZ-DJIMGWMZSA-N 1 2 378.542 3.564 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC[C@@H]3[C@H]3CCCO3)n2)C1 ZINC000328857401 854580132 /nfs/dbraw/zinc/58/01/32/854580132.db2.gz XVYZKJFUKSFQIZ-DJIMGWMZSA-N 1 2 378.542 3.564 20 30 GHEDLO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000186282359 854828218 /nfs/dbraw/zinc/82/82/18/854828218.db2.gz MYGMYSGJTHLHSY-MRXNPFEDSA-N 1 2 382.895 3.529 20 30 GHEDLO N#Cc1ccc(CSCC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)cc1 ZINC000572536186 854867044 /nfs/dbraw/zinc/86/70/44/854867044.db2.gz SDTMMOIFTJDMHZ-UHFFFAOYSA-N 1 2 396.903 3.947 20 30 GHEDLO CC(=O)Nc1cccc2c1CC[N@@H+]([C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)C2 ZINC000054391406 855147839 /nfs/dbraw/zinc/14/78/39/855147839.db2.gz BWYXNRHYIZFOHP-ZDUSSCGKSA-N 1 2 396.878 3.555 20 30 GHEDLO CC(=O)Nc1cccc2c1CC[N@H+]([C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)C2 ZINC000054391406 855147844 /nfs/dbraw/zinc/14/78/44/855147844.db2.gz BWYXNRHYIZFOHP-ZDUSSCGKSA-N 1 2 396.878 3.555 20 30 GHEDLO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000465687729 855589577 /nfs/dbraw/zinc/58/95/77/855589577.db2.gz HRWNOHIRGMPLCP-RTWAWAEBSA-N 1 2 389.503 3.532 20 30 GHEDLO N#Cc1nccnc1N1CC[NH+]([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000301186638 855635230 /nfs/dbraw/zinc/63/52/30/855635230.db2.gz PRNAIRDVLRBQKJ-OAQYLSRUSA-N 1 2 389.890 3.913 20 30 GHEDLO N#Cc1cc(Br)ccc1NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000301284415 855654490 /nfs/dbraw/zinc/65/44/90/855654490.db2.gz LXMJDJQUCCQHLM-LJQANCHMSA-N 1 2 386.293 3.806 20 30 GHEDLO Cc1ccc(C[NH+]2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)nc1 ZINC000591022253 855743158 /nfs/dbraw/zinc/74/31/58/855743158.db2.gz LWIBQDXWDZDDHL-IBGZPJMESA-N 1 2 385.309 3.535 20 30 GHEDLO N#Cc1ccccc1-c1ccc(CNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)cc1 ZINC000301956197 855787399 /nfs/dbraw/zinc/78/73/99/855787399.db2.gz LNVBKKVAAAXFTF-LJQANCHMSA-N 1 2 399.498 3.836 20 30 GHEDLO N#Cc1ccccc1-c1ccc(CNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)cc1 ZINC000301956197 855787413 /nfs/dbraw/zinc/78/74/13/855787413.db2.gz LNVBKKVAAAXFTF-LJQANCHMSA-N 1 2 399.498 3.836 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)c(C#N)c1C ZINC000482152201 862745890 /nfs/dbraw/zinc/74/58/90/862745890.db2.gz QMNFEORVGZKEMW-UWJYYQICSA-N 1 2 396.535 3.841 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)c(C#N)c1C ZINC000482152201 862745899 /nfs/dbraw/zinc/74/58/99/862745899.db2.gz QMNFEORVGZKEMW-UWJYYQICSA-N 1 2 396.535 3.841 20 30 GHEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000109013171 856098149 /nfs/dbraw/zinc/09/81/49/856098149.db2.gz FSGJAJUJBFGGBA-KRWDZBQOSA-N 1 2 377.473 3.581 20 30 GHEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCC[C@H]1c1cccs1 ZINC000109013171 856098159 /nfs/dbraw/zinc/09/81/59/856098159.db2.gz FSGJAJUJBFGGBA-KRWDZBQOSA-N 1 2 377.473 3.581 20 30 GHEDLO COc1ccc(C#N)cc1C[NH2+][C@@H](CCO)c1ccccc1Br ZINC000542882327 856510405 /nfs/dbraw/zinc/51/04/05/856510405.db2.gz YMZIKKZXTNIEBK-KRWDZBQOSA-N 1 2 375.266 3.543 20 30 GHEDLO CC(C)Cc1ccc(C(=O)C2CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC2)cc1 ZINC000046087251 856515052 /nfs/dbraw/zinc/51/50/52/856515052.db2.gz CNOHSDPPRZTMJT-XMMPIXPASA-N 1 2 397.563 3.834 20 30 GHEDLO C=CCSCC[NH2+]Cc1cc(Br)cc(Br)c1O ZINC001201946477 875948622 /nfs/dbraw/zinc/94/86/22/875948622.db2.gz FCYBRHXRAZOUOJ-UHFFFAOYSA-N 1 2 381.133 3.926 20 30 GHEDLO N#CCCCOc1cccc(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)NC2CC2)c1 ZINC000592520811 856916872 /nfs/dbraw/zinc/91/68/72/856916872.db2.gz UBUQHDZGTAFZNY-QHCPKHFHSA-N 1 2 389.499 3.575 20 30 GHEDLO N#CCCCOc1cccc(C[N@@H+]2Cc3ccccc3C[C@H]2C(=O)NC2CC2)c1 ZINC000592520811 856916877 /nfs/dbraw/zinc/91/68/77/856916877.db2.gz UBUQHDZGTAFZNY-QHCPKHFHSA-N 1 2 389.499 3.575 20 30 GHEDLO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCO[C@H](COCC3CC3)C2)c1 ZINC000485732900 857007325 /nfs/dbraw/zinc/00/73/25/857007325.db2.gz ZBATVILPYIAVMG-DEOSSOPVSA-N 1 2 392.499 3.765 20 30 GHEDLO N#Cc1ccccc1COc1cccc(C[N@H+]2CCO[C@H](COCC3CC3)C2)c1 ZINC000485732900 857007341 /nfs/dbraw/zinc/00/73/41/857007341.db2.gz ZBATVILPYIAVMG-DEOSSOPVSA-N 1 2 392.499 3.765 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(COc3ccccc3)CC2)c(C#N)c1C ZINC000112698293 857186053 /nfs/dbraw/zinc/18/60/53/857186053.db2.gz RRIYOIYFQXAMAI-MRXNPFEDSA-N 1 2 381.476 3.886 20 30 GHEDLO CCCc1nc(C)c(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000486344218 857664508 /nfs/dbraw/zinc/66/45/08/857664508.db2.gz UQMNUHDVZWNTQR-UHFFFAOYSA-N 1 2 383.521 3.625 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000675975861 857696321 /nfs/dbraw/zinc/69/63/21/857696321.db2.gz CUWGYHORNCBPFU-HNNXBMFYSA-N 1 2 380.517 3.627 20 30 GHEDLO Cc1cc(C)cc(C[C@@H](C)NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000466146509 858470471 /nfs/dbraw/zinc/47/04/71/858470471.db2.gz OMKGZNKICIRVCX-HXUWFJFHSA-N 1 2 390.531 3.634 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000595499289 858545479 /nfs/dbraw/zinc/54/54/79/858545479.db2.gz FAAODKYKNUOZKN-GJZGRUSLSA-N 1 2 380.517 3.710 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000595499289 858545487 /nfs/dbraw/zinc/54/54/87/858545487.db2.gz FAAODKYKNUOZKN-GJZGRUSLSA-N 1 2 380.517 3.710 20 30 GHEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000575041551 858564084 /nfs/dbraw/zinc/56/40/84/858564084.db2.gz OZQWHAIOSUXXKU-IFZYUDKTSA-N 1 2 398.457 3.984 20 30 GHEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000575041551 858564089 /nfs/dbraw/zinc/56/40/89/858564089.db2.gz OZQWHAIOSUXXKU-IFZYUDKTSA-N 1 2 398.457 3.984 20 30 GHEDLO Cc1ccc(C2=NN(C(=O)C[N@@H+]3CCC[C@@H](CC#N)C3)[C@@H](c3ccco3)C2)cc1 ZINC000595616162 858632392 /nfs/dbraw/zinc/63/23/92/858632392.db2.gz QTJYSNWCXQECGF-GHTZIAJQSA-N 1 2 390.487 3.891 20 30 GHEDLO Cc1ccc(C2=NN(C(=O)C[N@H+]3CCC[C@@H](CC#N)C3)[C@@H](c3ccco3)C2)cc1 ZINC000595616162 858632398 /nfs/dbraw/zinc/63/23/98/858632398.db2.gz QTJYSNWCXQECGF-GHTZIAJQSA-N 1 2 390.487 3.891 20 30 GHEDLO C=CC[C@@H]1CCC[N@H+]([C@H](C)c2nc(=O)c3c(C)c(C(=O)OCC)sc3[nH]2)C1 ZINC000595658610 858641194 /nfs/dbraw/zinc/64/11/94/858641194.db2.gz GCBGNCBELYHIIM-ZIAGYGMSSA-N 1 2 389.521 3.819 20 30 GHEDLO C=CCCSCCNC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000595726660 858659847 /nfs/dbraw/zinc/65/98/47/858659847.db2.gz YEIFRUNJMAKMRK-UHFFFAOYSA-N 1 2 376.570 3.639 20 30 GHEDLO COc1cccc([C@@]2(C)CC[N@@H+]([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)c1 ZINC000595763486 858663260 /nfs/dbraw/zinc/66/32/60/858663260.db2.gz FIKJOWIEZLOFMD-QRQCRPRQSA-N 1 2 381.476 3.767 20 30 GHEDLO COc1cccc([C@@]2(C)CC[N@H+]([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)c1 ZINC000595763486 858663262 /nfs/dbraw/zinc/66/32/62/858663262.db2.gz FIKJOWIEZLOFMD-QRQCRPRQSA-N 1 2 381.476 3.767 20 30 GHEDLO C[C@]1(C#N)CCN(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000596129218 858787165 /nfs/dbraw/zinc/78/71/65/858787165.db2.gz QSTFKLVKRWZTMO-VQIMIIECSA-N 1 2 378.879 3.561 20 30 GHEDLO COC[C@@H]([NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(C)o1 ZINC000184703995 858984249 /nfs/dbraw/zinc/98/42/49/858984249.db2.gz KKZIUZGFQYGMSE-WMLDXEAASA-N 1 2 387.505 3.756 20 30 GHEDLO C[C@H]1C[N@H+](CCNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)[C@@H](C)CO1 ZINC000596699953 859016794 /nfs/dbraw/zinc/01/67/94/859016794.db2.gz VCEDHJJHTRZSDD-IRXDYDNUSA-N 1 2 394.475 3.581 20 30 GHEDLO C[C@H]1C[N@@H+](CCNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)[C@@H](C)CO1 ZINC000596699953 859016806 /nfs/dbraw/zinc/01/68/06/859016806.db2.gz VCEDHJJHTRZSDD-IRXDYDNUSA-N 1 2 394.475 3.581 20 30 GHEDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)[C@@H](C)CO1 ZINC000596732208 859029787 /nfs/dbraw/zinc/02/97/87/859029787.db2.gz JOTQPGPUSYQVST-DLBZAZTESA-N 1 2 394.475 3.581 20 30 GHEDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)[C@@H](C)CO1 ZINC000596732208 859029795 /nfs/dbraw/zinc/02/97/95/859029795.db2.gz JOTQPGPUSYQVST-DLBZAZTESA-N 1 2 394.475 3.581 20 30 GHEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000596846709 859093774 /nfs/dbraw/zinc/09/37/74/859093774.db2.gz SECHSQKFDNNFDM-NHCUHLMSSA-N 1 2 388.446 3.763 20 30 GHEDLO N#Cc1cc(Cl)cc(Br)c1N1CCN(c2cccc[nH+]2)CC1 ZINC000429347670 859105284 /nfs/dbraw/zinc/10/52/84/859105284.db2.gz XPGQFFMRQOIXGL-UHFFFAOYSA-N 1 2 377.673 3.696 20 30 GHEDLO CCN(CCC#N)C(=O)C[N@H+](Cc1ccccc1Br)C(C)(C)C ZINC000474176416 859523468 /nfs/dbraw/zinc/52/34/68/859523468.db2.gz ZTFZDDKUXNKEOD-UHFFFAOYSA-N 1 2 380.330 3.812 20 30 GHEDLO CCN(CCC#N)C(=O)C[N@@H+](Cc1ccccc1Br)C(C)(C)C ZINC000474176416 859523479 /nfs/dbraw/zinc/52/34/79/859523479.db2.gz ZTFZDDKUXNKEOD-UHFFFAOYSA-N 1 2 380.330 3.812 20 30 GHEDLO CCOC(=O)c1sc([C@H]2CC[N@H+](Cc3cc(C#N)cnc3Cl)C2)nc1C ZINC000895585479 859683495 /nfs/dbraw/zinc/68/34/95/859683495.db2.gz XAQUMDSVTHDBEZ-ZDUSSCGKSA-N 1 2 390.896 3.538 20 30 GHEDLO CCOC(=O)c1sc([C@H]2CC[N@@H+](Cc3cc(C#N)cnc3Cl)C2)nc1C ZINC000895585479 859683504 /nfs/dbraw/zinc/68/35/04/859683504.db2.gz XAQUMDSVTHDBEZ-ZDUSSCGKSA-N 1 2 390.896 3.538 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@H](c3nncn3C(C)C)C2)c1C#N ZINC000611347378 859721827 /nfs/dbraw/zinc/72/18/27/859721827.db2.gz DREIAXYNOCVKKS-GOSISDBHSA-N 1 2 389.507 3.604 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H](c3nncn3C(C)C)C2)c1C#N ZINC000611347378 859721830 /nfs/dbraw/zinc/72/18/30/859721830.db2.gz DREIAXYNOCVKKS-GOSISDBHSA-N 1 2 389.507 3.604 20 30 GHEDLO CC(C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cccc(C#N)n1 ZINC000602436598 860033363 /nfs/dbraw/zinc/03/33/63/860033363.db2.gz XHVKVBABZFGWSL-UHFFFAOYSA-N 1 2 376.382 3.821 20 30 GHEDLO CC(C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cccc(C#N)n1 ZINC000602436598 860033373 /nfs/dbraw/zinc/03/33/73/860033373.db2.gz XHVKVBABZFGWSL-UHFFFAOYSA-N 1 2 376.382 3.821 20 30 GHEDLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000727436691 860077143 /nfs/dbraw/zinc/07/71/43/860077143.db2.gz MRRVYXRZBHGSSP-GTCCEBARSA-N 1 2 398.466 3.686 20 30 GHEDLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000727436691 860077147 /nfs/dbraw/zinc/07/71/47/860077147.db2.gz MRRVYXRZBHGSSP-GTCCEBARSA-N 1 2 398.466 3.686 20 30 GHEDLO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000727436694 860077993 /nfs/dbraw/zinc/07/79/93/860077993.db2.gz MRRVYXRZBHGSSP-WVBUVRCRSA-N 1 2 398.466 3.686 20 30 GHEDLO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000727436694 860078003 /nfs/dbraw/zinc/07/80/03/860078003.db2.gz MRRVYXRZBHGSSP-WVBUVRCRSA-N 1 2 398.466 3.686 20 30 GHEDLO NC(=[NH+]OCc1nnc(-c2ccc(Br)s2)o1)c1ccc(F)cc1 ZINC000727487941 860114257 /nfs/dbraw/zinc/11/42/57/860114257.db2.gz CJGLFXNCCGDOHU-UHFFFAOYSA-N 1 2 397.229 3.537 20 30 GHEDLO C[N@@H+]1CCO[C@H]([C@H](Nc2ncc(C#N)cc2Cl)c2ccc(Cl)cc2)C1 ZINC000125359278 860645245 /nfs/dbraw/zinc/64/52/45/860645245.db2.gz BHISLMCPFNXMQD-DLBZAZTESA-N 1 2 377.275 3.744 20 30 GHEDLO C[N@H+]1CCO[C@H]([C@H](Nc2ncc(C#N)cc2Cl)c2ccc(Cl)cc2)C1 ZINC000125359278 860645248 /nfs/dbraw/zinc/64/52/48/860645248.db2.gz BHISLMCPFNXMQD-DLBZAZTESA-N 1 2 377.275 3.744 20 30 GHEDLO COCc1ccccc1/C=C(/C)C[N@@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000509098708 861034875 /nfs/dbraw/zinc/03/48/75/861034875.db2.gz VCXHVXYWBDKGCO-YCFVMORTSA-N 1 2 387.483 3.582 20 30 GHEDLO COCc1ccccc1/C=C(/C)C[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000509098708 861034889 /nfs/dbraw/zinc/03/48/89/861034889.db2.gz VCXHVXYWBDKGCO-YCFVMORTSA-N 1 2 387.483 3.582 20 30 GHEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC000111278877 861147331 /nfs/dbraw/zinc/14/73/31/861147331.db2.gz OHFSNJDFXURFPK-OAHLLOKOSA-N 1 2 396.466 3.519 20 30 GHEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC000111278877 861147337 /nfs/dbraw/zinc/14/73/37/861147337.db2.gz OHFSNJDFXURFPK-OAHLLOKOSA-N 1 2 396.466 3.519 20 30 GHEDLO C#CCOc1cc(F)ccc1NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282677999 863284185 /nfs/dbraw/zinc/28/41/85/863284185.db2.gz ICSFKKLADBQEDB-INIZCTEOSA-N 1 2 396.466 3.782 20 30 GHEDLO NC(=[NH+]OCc1nc(-c2ccc(Br)s2)no1)c1ccc(F)cc1 ZINC000733998456 863933837 /nfs/dbraw/zinc/93/38/37/863933837.db2.gz XZCQCRXJMCQYDY-UHFFFAOYSA-N 1 2 397.229 3.537 20 30 GHEDLO CCCn1nccc1C[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000897056048 864373923 /nfs/dbraw/zinc/37/39/23/864373923.db2.gz SWGZCFZPGLOXSC-QWRGUYRKSA-N 1 2 391.306 3.896 20 30 GHEDLO C#CCCCNC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000173329931 864587965 /nfs/dbraw/zinc/58/79/65/864587965.db2.gz WQKAJANAZTZSTH-UHFFFAOYSA-N 1 2 376.863 3.691 20 30 GHEDLO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000475289418 864721164 /nfs/dbraw/zinc/72/11/64/864721164.db2.gz AGQGUWODNDNWCP-YLJYHZDGSA-N 1 2 394.519 3.783 20 30 GHEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](CC2=Cc3ccccc3OC2)CC1 ZINC000475349336 864828228 /nfs/dbraw/zinc/82/82/28/864828228.db2.gz OZBKHLVCOZLUFL-OAQYLSRUSA-N 1 2 379.891 3.998 20 30 GHEDLO COC[C@H]([NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)c1ccc(C)o1 ZINC000184762541 864919661 /nfs/dbraw/zinc/91/96/61/864919661.db2.gz WSSVLVSWOZXPNT-SFHVURJKSA-N 1 2 389.883 3.774 20 30 GHEDLO N#Cc1ccccc1OCC[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000063581180 865011110 /nfs/dbraw/zinc/01/11/10/865011110.db2.gz LRVJQVPLYYUHQY-LJQANCHMSA-N 1 2 387.277 3.773 20 30 GHEDLO N#Cc1ccccc1OCC[N@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000063581180 865011123 /nfs/dbraw/zinc/01/11/23/865011123.db2.gz LRVJQVPLYYUHQY-LJQANCHMSA-N 1 2 387.277 3.773 20 30 GHEDLO C=CCc1ccccc1OC[C@H](O)Cn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000193006935 865110772 /nfs/dbraw/zinc/11/07/72/865110772.db2.gz PIXQSEAOSNNSRH-CQSZACIVSA-N 1 2 377.366 3.619 20 30 GHEDLO CC(C)(C)c1noc(CO[NH+]=C(N)c2ccc(OCc3ccccc3)cc2)n1 ZINC000736299497 865181007 /nfs/dbraw/zinc/18/10/07/865181007.db2.gz ONUIRSACWMJLPM-UHFFFAOYSA-N 1 2 380.448 3.783 20 30 GHEDLO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NCC(F)(C(F)(F)F)C(F)(F)F ZINC000899094389 865257635 /nfs/dbraw/zinc/25/76/35/865257635.db2.gz NEONTYDLSDXPGZ-NSHDSACASA-N 1 2 397.294 3.881 20 30 GHEDLO COCC[N@H+](CC(=O)N(Cc1ccc(C)cc1)C1CC1)Cc1ccc(C#N)cc1 ZINC000063753518 865306789 /nfs/dbraw/zinc/30/67/89/865306789.db2.gz SZAQJRZDXIQKOD-UHFFFAOYSA-N 1 2 391.515 3.506 20 30 GHEDLO COCC[N@@H+](CC(=O)N(Cc1ccc(C)cc1)C1CC1)Cc1ccc(C#N)cc1 ZINC000063753518 865306805 /nfs/dbraw/zinc/30/68/05/865306805.db2.gz SZAQJRZDXIQKOD-UHFFFAOYSA-N 1 2 391.515 3.506 20 30 GHEDLO C=CCN1CC[C@@H]([N@@H+](CC(=O)Nc2ccccc2C(F)(F)F)[C@H](C)CC)C1=O ZINC000282003556 865486052 /nfs/dbraw/zinc/48/60/52/865486052.db2.gz NQRJTAAFLFFGNR-RHSMWYFYSA-N 1 2 397.441 3.531 20 30 GHEDLO C=CCN1CC[C@@H]([N@H+](CC(=O)Nc2ccccc2C(F)(F)F)[C@H](C)CC)C1=O ZINC000282003556 865486058 /nfs/dbraw/zinc/48/60/58/865486058.db2.gz NQRJTAAFLFFGNR-RHSMWYFYSA-N 1 2 397.441 3.531 20 30 GHEDLO C=CCc1cc(OCC)cc(C[N@H+](C)Cc2nccn2CC(F)(F)F)c1O ZINC000738155706 865497442 /nfs/dbraw/zinc/49/74/42/865497442.db2.gz GVMRELIAOHOQJP-UHFFFAOYSA-N 1 2 383.414 3.910 20 30 GHEDLO C=CCc1cc(OCC)cc(C[N@@H+](C)Cc2nccn2CC(F)(F)F)c1O ZINC000738155706 865497454 /nfs/dbraw/zinc/49/74/54/865497454.db2.gz GVMRELIAOHOQJP-UHFFFAOYSA-N 1 2 383.414 3.910 20 30 GHEDLO N#Cc1cnc(N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c(Cl)c1 ZINC000608885258 865815388 /nfs/dbraw/zinc/81/53/88/865815388.db2.gz PZYFWPQTKKZILZ-UHFFFAOYSA-N 1 2 380.801 3.948 20 30 GHEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(Cc2ccc(OC)cc2)CC1 ZINC000739912049 865826282 /nfs/dbraw/zinc/82/62/82/865826282.db2.gz FDHKSPZKEPCSBR-JOCHJYFZSA-N 1 2 378.472 3.736 20 30 GHEDLO CC[N@H+](C)[C@H](C(=O)O[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000741150684 866290259 /nfs/dbraw/zinc/29/02/59/866290259.db2.gz LAXPMCHMTORJEO-LIRRHRJNSA-N 1 2 399.878 3.775 20 30 GHEDLO CC[N@@H+](C)[C@H](C(=O)O[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000741150684 866290277 /nfs/dbraw/zinc/29/02/77/866290277.db2.gz LAXPMCHMTORJEO-LIRRHRJNSA-N 1 2 399.878 3.775 20 30 GHEDLO N#CCCN(C(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccccc1 ZINC000153288130 866325881 /nfs/dbraw/zinc/32/58/81/866325881.db2.gz NUUHKFXEODWAKJ-UHFFFAOYSA-N 1 2 378.432 3.506 20 30 GHEDLO N#CCCN(C(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccccc1 ZINC000153288130 866325897 /nfs/dbraw/zinc/32/58/97/866325897.db2.gz NUUHKFXEODWAKJ-UHFFFAOYSA-N 1 2 378.432 3.506 20 30 GHEDLO Clc1ccc(N[NH+]=Cc2c(N3CCOCC3)nc3ccccn32)cc1Cl ZINC000741806344 866830690 /nfs/dbraw/zinc/83/06/90/866830690.db2.gz JIKCSBSABGHVGU-UHFFFAOYSA-N 1 2 390.274 3.924 20 30 GHEDLO COCc1nc(CO[NH+]=C(N)c2ccc(OCc3ccccc3)cc2)cs1 ZINC000742357202 867231269 /nfs/dbraw/zinc/23/12/69/867231269.db2.gz PVGUNSXOFSJSCV-UHFFFAOYSA-N 1 2 383.473 3.706 20 30 GHEDLO Cc1nc2ccccc2nc1C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444785177 867244173 /nfs/dbraw/zinc/24/41/73/867244173.db2.gz PZAWQKBXJLWLHP-UHFFFAOYSA-N 1 2 377.879 3.786 20 30 GHEDLO C=C(C)Cn1c(SCC(=O)NCc2c[nH+]c(C)cc2C)nnc1-c1ccco1 ZINC000456854126 867266810 /nfs/dbraw/zinc/26/68/10/867266810.db2.gz YOYIXSIFQGSYCS-UHFFFAOYSA-N 1 2 397.504 3.535 20 30 GHEDLO OC[C@H]1C[N@H+](Cc2cc(F)c(C(F)(F)F)cc2F)CC[C@@H]1C(F)(F)F ZINC000553899963 868417213 /nfs/dbraw/zinc/41/72/13/868417213.db2.gz UYZOFHVSSGCWIS-ZJUUUORDSA-N 1 2 377.275 3.976 20 30 GHEDLO OC[C@H]1C[N@@H+](Cc2cc(F)c(C(F)(F)F)cc2F)CC[C@@H]1C(F)(F)F ZINC000553899963 868417218 /nfs/dbraw/zinc/41/72/18/868417218.db2.gz UYZOFHVSSGCWIS-ZJUUUORDSA-N 1 2 377.275 3.976 20 30 GHEDLO CC(C)C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1ccnc(C#N)c1 ZINC000553974052 868548512 /nfs/dbraw/zinc/54/85/12/868548512.db2.gz OMHPYEIZMDMOMO-OAQYLSRUSA-N 1 2 396.922 3.979 20 30 GHEDLO CC(C)C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1ccnc(C#N)c1 ZINC000553974052 868548519 /nfs/dbraw/zinc/54/85/19/868548519.db2.gz OMHPYEIZMDMOMO-OAQYLSRUSA-N 1 2 396.922 3.979 20 30 GHEDLO C=CC[N@H+](CCc1ccccc1)CN1C(=O)CN(/C=C/c2ccccc2)C1=O ZINC000744153849 868628083 /nfs/dbraw/zinc/62/80/83/868628083.db2.gz LVFYCJJAVMLOQE-SAPNQHFASA-N 1 2 375.472 3.610 20 30 GHEDLO C=CC[N@@H+](CCc1ccccc1)CN1C(=O)CN(/C=C/c2ccccc2)C1=O ZINC000744153849 868628089 /nfs/dbraw/zinc/62/80/89/868628089.db2.gz LVFYCJJAVMLOQE-SAPNQHFASA-N 1 2 375.472 3.610 20 30 GHEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3c(F)cccc3Br)C2)nc1 ZINC000428781955 868933631 /nfs/dbraw/zinc/93/36/31/868933631.db2.gz PDSPDVNPJZRXIO-ZDUSSCGKSA-N 1 2 376.229 3.508 20 30 GHEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3c(F)cccc3Br)C2)nc1 ZINC000428781955 868933634 /nfs/dbraw/zinc/93/36/34/868933634.db2.gz PDSPDVNPJZRXIO-ZDUSSCGKSA-N 1 2 376.229 3.508 20 30 GHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@H](O)C(C)(C)C2)c1C#N ZINC000446063011 869330090 /nfs/dbraw/zinc/33/00/90/869330090.db2.gz TWFGWYCOIWKXRX-IBGZPJMESA-N 1 2 386.540 3.513 20 30 GHEDLO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CC[C@H](O)C(C)(C)C2)c1C#N ZINC000446063011 869330097 /nfs/dbraw/zinc/33/00/97/869330097.db2.gz TWFGWYCOIWKXRX-IBGZPJMESA-N 1 2 386.540 3.513 20 30 GHEDLO C[C@H]1CCc2c(C#N)c(NC(=O)[C@H]3C[N@H+](Cc4ccccc4)CCO3)sc2C1 ZINC000524915905 869752540 /nfs/dbraw/zinc/75/25/40/869752540.db2.gz WEQJICQPDOSFMD-HNAYVOBHSA-N 1 2 395.528 3.584 20 30 GHEDLO C[C@H]1CCc2c(C#N)c(NC(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCO3)sc2C1 ZINC000524915905 869752544 /nfs/dbraw/zinc/75/25/44/869752544.db2.gz WEQJICQPDOSFMD-HNAYVOBHSA-N 1 2 395.528 3.584 20 30 GHEDLO Cc1ncc(C(=O)NC[C@@H](c2ccc(Cl)cc2Cl)[NH+](C)C)cc1C#N ZINC001192300529 870245807 /nfs/dbraw/zinc/24/58/07/870245807.db2.gz STUQBFXZPJPZGF-KRWDZBQOSA-N 1 2 377.275 3.601 20 30 GHEDLO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2nc3c(cc2C#N)CCC3)CC1 ZINC000462905287 870348098 /nfs/dbraw/zinc/34/80/98/870348098.db2.gz HXJBQCVIBZJDDC-NRFANRHFSA-N 1 2 382.458 3.993 20 30 GHEDLO Cc1cc(S(=O)(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)ccc1C#N ZINC000446810352 870408369 /nfs/dbraw/zinc/40/83/69/870408369.db2.gz XLXFGFHYLMDPHK-UHFFFAOYSA-N 1 2 392.484 3.867 20 30 GHEDLO CC[C@H](C#N)Oc1cc(CNc2[nH+]cnc3c2cnn3C(C)(C)C)ccc1OC ZINC000766406689 870707259 /nfs/dbraw/zinc/70/72/59/870707259.db2.gz DCVBFNIOHSGVTK-OAHLLOKOSA-N 1 2 394.479 3.883 20 30 GHEDLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)Nc1cccc(CC#N)c1 ZINC000455918812 870835570 /nfs/dbraw/zinc/83/55/70/870835570.db2.gz LLZUNCBLLFQHLX-LJQANCHMSA-N 1 2 392.503 3.507 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCN(c2cccc3cnccc32)C[C@H]1C ZINC000447384888 871513583 /nfs/dbraw/zinc/51/35/83/871513583.db2.gz NLRGSPORPSLKLZ-QZTJIDSGSA-N 1 2 399.498 3.644 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCN(c2cccc3cnccc32)C[C@H]1C ZINC000447384888 871513591 /nfs/dbraw/zinc/51/35/91/871513591.db2.gz NLRGSPORPSLKLZ-QZTJIDSGSA-N 1 2 399.498 3.644 20 30 GHEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCN(c2cccc3cnccc32)C[C@@H]1C ZINC000447388906 871520214 /nfs/dbraw/zinc/52/02/14/871520214.db2.gz XWBOEGAZOJZESX-ROUUACIJSA-N 1 2 399.498 3.644 20 30 GHEDLO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCN(c2cccc3cnccc32)C[C@@H]1C ZINC000447388906 871520224 /nfs/dbraw/zinc/52/02/24/871520224.db2.gz XWBOEGAZOJZESX-ROUUACIJSA-N 1 2 399.498 3.644 20 30 GHEDLO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000618668195 871816200 /nfs/dbraw/zinc/81/62/00/871816200.db2.gz SBDHPQYCTATFQG-SFHVURJKSA-N 1 2 381.505 3.810 20 30 GHEDLO Cn1cc[nH+]c1C[C@H](NC(=O)N[C@H]1CCc2cc(C#N)ccc21)c1ccccc1 ZINC000618819284 872027942 /nfs/dbraw/zinc/02/79/42/872027942.db2.gz HLYZKXFISNZGDX-SFTDATJTSA-N 1 2 385.471 3.562 20 30 GHEDLO N#CCCn1cc(C[NH2+]Cc2c(F)c(F)cc(F)c2F)c(-c2ccncc2)n1 ZINC000618967790 872193923 /nfs/dbraw/zinc/19/39/23/872193923.db2.gz ORLUBWGABLJUQC-UHFFFAOYSA-N 1 2 389.356 3.705 20 30 GHEDLO N#CCC1CCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000541048944 872830376 /nfs/dbraw/zinc/83/03/76/872830376.db2.gz ZKJBOMUTNNOXGV-SFHVURJKSA-N 1 2 390.325 3.738 20 30 GHEDLO C[N@H+](CC(F)F)C1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)CC1 ZINC000767970090 872983457 /nfs/dbraw/zinc/98/34/57/872983457.db2.gz KGKDASIDPQCFGJ-UHFFFAOYSA-N 1 2 388.462 3.747 20 30 GHEDLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)CC1 ZINC000767970090 872983469 /nfs/dbraw/zinc/98/34/69/872983469.db2.gz KGKDASIDPQCFGJ-UHFFFAOYSA-N 1 2 388.462 3.747 20 30 GHEDLO CCOC(=O)c1nn(-c2ccccc2)cc1C[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619847261 873074188 /nfs/dbraw/zinc/07/41/88/873074188.db2.gz JPZMCERLZIZEFZ-UHFFFAOYSA-N 1 2 394.862 3.864 20 30 GHEDLO NC(=O)[C@H](F)C1CC[NH+](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC001196962951 873501170 /nfs/dbraw/zinc/50/11/70/873501170.db2.gz VYFNHXPTNDCNAQ-CYBMUJFWSA-N 1 2 386.311 3.760 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)O[C@H](C)C2)cc1C ZINC001197484311 873831628 /nfs/dbraw/zinc/83/16/28/873831628.db2.gz WPRSHUODQQSOBJ-AEFFLSMTSA-N 1 2 397.441 3.592 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](C(F)(F)F)O[C@H](C)C2)cc1C ZINC001197484311 873831637 /nfs/dbraw/zinc/83/16/37/873831637.db2.gz WPRSHUODQQSOBJ-AEFFLSMTSA-N 1 2 397.441 3.592 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@H](OCC3CC3)C2)c1C#N ZINC000494675370 882792860 /nfs/dbraw/zinc/79/28/60/882792860.db2.gz ZUPVEWGCQJUYFV-FQEVSTJZSA-N 1 2 398.551 3.921 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCC[C@H](OCC3CC3)C2)c1C#N ZINC000494675370 882792865 /nfs/dbraw/zinc/79/28/65/882792865.db2.gz ZUPVEWGCQJUYFV-FQEVSTJZSA-N 1 2 398.551 3.921 20 30 GHEDLO Cc1nc(NCc2cccc(C(=O)N[C@@H](CCC#N)c3ccccc3)c2)cc[nH+]1 ZINC000541723531 874167968 /nfs/dbraw/zinc/16/79/68/874167968.db2.gz AAGZKWYDNSZJPC-NRFANRHFSA-N 1 2 385.471 3.594 20 30 GHEDLO N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@H](n4cc[nH+]c4)C3)s2)cc1 ZINC000609135185 874226459 /nfs/dbraw/zinc/22/64/59/874226459.db2.gz NMFPTBZULRBCNR-KRWDZBQOSA-N 1 2 392.488 3.671 20 30 GHEDLO CC(C)(C)OC(=O)NCc1ccc(C(N)=[NH+]OCc2ccc(CC#N)cc2)cc1 ZINC000769842715 874321138 /nfs/dbraw/zinc/32/11/38/874321138.db2.gz QLKBHLRIRXQXBD-UHFFFAOYSA-N 1 2 394.475 3.614 20 30 GHEDLO N#Cc1ccnc(N2CC[NH+](Cc3cnc(-c4ccccc4F)s3)CC2)c1 ZINC000449009512 874356353 /nfs/dbraw/zinc/35/63/53/874356353.db2.gz OHHZIERPHPZFAG-UHFFFAOYSA-N 1 2 379.464 3.538 20 30 GHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000443645086 874700760 /nfs/dbraw/zinc/70/07/60/874700760.db2.gz HIAVJWQUKQBQHG-UZLBHIALSA-N 1 2 393.418 3.932 20 30 GHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000443645086 874700766 /nfs/dbraw/zinc/70/07/66/874700766.db2.gz HIAVJWQUKQBQHG-UZLBHIALSA-N 1 2 393.418 3.932 20 30 GHEDLO C=CCSc1ncccc1C(=O)Nc1ccc(OC)nc1-n1cc[nH+]c1CC ZINC001199735367 875179119 /nfs/dbraw/zinc/17/91/19/875179119.db2.gz PLRJCTSKQOTEPV-UHFFFAOYSA-N 1 2 395.488 3.764 20 30 GHEDLO C=CCSc1ncccc1C(=O)N1CC[NH+](C[C@@H](OC)c2ccccc2)CC1 ZINC001199736303 875179905 /nfs/dbraw/zinc/17/99/05/875179905.db2.gz JMVLLZSKBZOXPI-HXUWFJFHSA-N 1 2 397.544 3.505 20 30 GHEDLO CCc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(COC)c(C#N)c3)CC2)s1 ZINC000529211639 875836359 /nfs/dbraw/zinc/83/63/59/875836359.db2.gz HJBDOGFOIJZOBV-UHFFFAOYSA-N 1 2 398.532 3.678 20 30 GHEDLO C=CCOc1c(Br)cc(C[NH2+]Cc2nnc(C)s2)cc1OCC ZINC001201955031 875953985 /nfs/dbraw/zinc/95/39/85/875953985.db2.gz YGJIDOAHMVRANC-UHFFFAOYSA-N 1 2 398.326 3.862 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+](C)C[C@H]2CCCOC2)c1=S ZINC000107671041 876382903 /nfs/dbraw/zinc/38/29/03/876382903.db2.gz ZGNOYGGLYGVQKN-OAHLLOKOSA-N 1 2 376.501 3.722 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+](C)C[C@H]2CCCOC2)c1=S ZINC000107671041 876382917 /nfs/dbraw/zinc/38/29/17/876382917.db2.gz ZGNOYGGLYGVQKN-OAHLLOKOSA-N 1 2 376.501 3.722 20 30 GHEDLO CC(C)[C@@H]([NH2+]Cc1cc(C#N)ccc1Br)c1nnc2ccccn21 ZINC000492604405 877174263 /nfs/dbraw/zinc/17/42/63/877174263.db2.gz FAZANCAVBKAEAA-QGZVFWFLSA-N 1 2 384.281 3.850 20 30 GHEDLO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@@H+]3C[C@@H](O)C[C@H]3C)sc2C1 ZINC000530360758 877628161 /nfs/dbraw/zinc/62/81/61/877628161.db2.gz INBKNSASHJCBAF-KFWWJZLASA-N 1 2 389.565 3.554 20 30 GHEDLO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@H+]3C[C@@H](O)C[C@H]3C)sc2C1 ZINC000530360758 877628172 /nfs/dbraw/zinc/62/81/72/877628172.db2.gz INBKNSASHJCBAF-KFWWJZLASA-N 1 2 389.565 3.554 20 30 GHEDLO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000175999235 878029701 /nfs/dbraw/zinc/02/97/01/878029701.db2.gz PVJJNUGCOZKWBI-UHFFFAOYSA-N 1 2 398.388 3.742 20 30 GHEDLO C=CCc1cc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cc(OC)c1OC ZINC000068197703 878073012 /nfs/dbraw/zinc/07/30/12/878073012.db2.gz JRWSQNCWDWAOEP-UHFFFAOYSA-N 1 2 396.487 3.517 20 30 GHEDLO N#C[C@@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000530639054 878249064 /nfs/dbraw/zinc/24/90/64/878249064.db2.gz RZBNWYWBBDYPBD-QGZVFWFLSA-N 1 2 386.333 3.766 20 30 GHEDLO COc1cccc(OC)c1OCCCC[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852333373 878251881 /nfs/dbraw/zinc/25/18/81/878251881.db2.gz KTOUYAQWJMZYII-HSZRJFAPSA-N 1 2 395.503 3.815 20 30 GHEDLO COc1cccc(OC)c1OCCCC[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852333373 878251899 /nfs/dbraw/zinc/25/18/99/878251899.db2.gz KTOUYAQWJMZYII-HSZRJFAPSA-N 1 2 395.503 3.815 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCSC[C@H]1C1CC1 ZINC000451652889 878268918 /nfs/dbraw/zinc/26/89/18/878268918.db2.gz LQUKCXMCTWWLEU-YOEHRIQHSA-N 1 2 375.563 3.847 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCSC[C@H]1C1CC1 ZINC000451652889 878268936 /nfs/dbraw/zinc/26/89/36/878268936.db2.gz LQUKCXMCTWWLEU-YOEHRIQHSA-N 1 2 375.563 3.847 20 30 GHEDLO CC(C)(C)OC(=O)NCC12CC(C1)C[N@@H+]2Cc1ccc(C#N)cc1OC(F)F ZINC000852528132 878403427 /nfs/dbraw/zinc/40/34/27/878403427.db2.gz VYZMZXLJOFVNNV-UHFFFAOYSA-N 1 2 393.434 3.649 20 30 GHEDLO CC(C)(C)OC(=O)NCC12CC(C1)C[N@H+]2Cc1ccc(C#N)cc1OC(F)F ZINC000852528132 878403432 /nfs/dbraw/zinc/40/34/32/878403432.db2.gz VYZMZXLJOFVNNV-UHFFFAOYSA-N 1 2 393.434 3.649 20 30 GHEDLO C[C@H]([NH2+][C@@H](C)c1c(F)cncc1F)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000285612537 912361708 /nfs/dbraw/zinc/36/17/08/912361708.db2.gz JVPCFCFGNCRITL-WDSKDSINSA-N 1 2 395.278 3.733 20 30 GHEDLO CCOc1cccc(C[N@H+](CCO)Cc2cc(C#N)ccc2Br)c1 ZINC000452048222 878877442 /nfs/dbraw/zinc/87/74/42/878877442.db2.gz PJNREQGTPYRBRQ-UHFFFAOYSA-N 1 2 389.293 3.714 20 30 GHEDLO CCOc1cccc(C[N@@H+](CCO)Cc2cc(C#N)ccc2Br)c1 ZINC000452048222 878877457 /nfs/dbraw/zinc/87/74/57/878877457.db2.gz PJNREQGTPYRBRQ-UHFFFAOYSA-N 1 2 389.293 3.714 20 30 GHEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2ccc(OCC3CC3)cc2)CC1 ZINC000616726653 879015125 /nfs/dbraw/zinc/01/51/25/879015125.db2.gz KQCWFJSJVIPVBM-UHFFFAOYSA-N 1 2 378.476 3.535 20 30 GHEDLO N#CCCCOc1cccc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000180543828 879020178 /nfs/dbraw/zinc/02/01/78/879020178.db2.gz UIAPLQUGJUTQFR-QUCCMNQESA-N 1 2 386.517 3.755 20 30 GHEDLO N#CCCCOc1cccc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000180543828 879020199 /nfs/dbraw/zinc/02/01/99/879020199.db2.gz UIAPLQUGJUTQFR-QUCCMNQESA-N 1 2 386.517 3.755 20 30 GHEDLO C#CCn1ccc(C[N@@H+](CC)CC2=Cc3cc(Br)ccc3OC2)n1 ZINC000789759142 879238764 /nfs/dbraw/zinc/23/87/64/879238764.db2.gz OPBHVFDCRUTLOU-UHFFFAOYSA-N 1 2 386.293 3.577 20 30 GHEDLO C#CCn1ccc(C[N@H+](CC)CC2=Cc3cc(Br)ccc3OC2)n1 ZINC000789759142 879238783 /nfs/dbraw/zinc/23/87/83/879238783.db2.gz OPBHVFDCRUTLOU-UHFFFAOYSA-N 1 2 386.293 3.577 20 30 GHEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@H]2CCC3(CCCCC3)O2)CC1=O ZINC000790104929 879471168 /nfs/dbraw/zinc/47/11/68/879471168.db2.gz YSZBNLHEFXYQGY-MRXNPFEDSA-N 1 2 394.519 3.528 20 30 GHEDLO Cc1ccc(C#N)cc1NC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000531320217 879608223 /nfs/dbraw/zinc/60/82/23/879608223.db2.gz DRQZETKIEIHNBH-INIZCTEOSA-N 1 2 384.430 3.931 20 30 GHEDLO Cc1ccc(C#N)cc1NC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000531320217 879608241 /nfs/dbraw/zinc/60/82/41/879608241.db2.gz DRQZETKIEIHNBH-INIZCTEOSA-N 1 2 384.430 3.931 20 30 GHEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)c3ccc(C4(C#N)CC4)cc3)CC2)cc1 ZINC000181133057 879760697 /nfs/dbraw/zinc/76/06/97/879760697.db2.gz JQMZFIKDLHLGMJ-UHFFFAOYSA-N 1 2 388.515 3.707 20 30 GHEDLO Cc1nn(CCC#N)c(C)c1CCC(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000791330546 880335949 /nfs/dbraw/zinc/33/59/49/880335949.db2.gz QFHFYOMZOOBVLT-UHFFFAOYSA-N 1 2 391.475 3.584 20 30 GHEDLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000791365785 880374325 /nfs/dbraw/zinc/37/43/25/880374325.db2.gz NLUSEZLHEOZOET-JOCHJYFZSA-N 1 2 386.455 3.765 20 30 GHEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1sc2ccccc2c1Cl ZINC000532058387 881050082 /nfs/dbraw/zinc/05/00/82/881050082.db2.gz YDALCOQJWNBUMC-CYBMUJFWSA-N 1 2 383.908 3.927 20 30 GHEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1sc2ccccc2c1Cl ZINC000532058387 881050098 /nfs/dbraw/zinc/05/00/98/881050098.db2.gz YDALCOQJWNBUMC-CYBMUJFWSA-N 1 2 383.908 3.927 20 30 GHEDLO C[C@@]1(C2CCCC2)CC(=O)N(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)C1 ZINC000795712901 912639883 /nfs/dbraw/zinc/63/98/83/912639883.db2.gz CJKBGSSBNMOSKJ-HSZRJFAPSA-N 1 2 399.510 3.927 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)Cc2c(F)cccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000556942554 881158648 /nfs/dbraw/zinc/15/86/48/881158648.db2.gz CIYHBEGHXIZQLQ-ICSRJNTNSA-N 1 2 389.833 3.594 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)Cc2c(F)cccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000556942554 881158657 /nfs/dbraw/zinc/15/86/57/881158657.db2.gz CIYHBEGHXIZQLQ-ICSRJNTNSA-N 1 2 389.833 3.594 20 30 GHEDLO COCCOc1cc2c(cc1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1)OCO2 ZINC000537625386 881217433 /nfs/dbraw/zinc/21/74/33/881217433.db2.gz DBZWBRMQCABEOT-PMACEKPBSA-N 1 2 394.471 3.712 20 30 GHEDLO COCCOc1cc2c(cc1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1)OCO2 ZINC000537625386 881217446 /nfs/dbraw/zinc/21/74/46/881217446.db2.gz DBZWBRMQCABEOT-PMACEKPBSA-N 1 2 394.471 3.712 20 30 GHEDLO C=CCn1c(=S)n(C[NH+]2CCc3ccccc3CC2)nc1-c1cccnc1 ZINC000153178086 883237526 /nfs/dbraw/zinc/23/75/26/883237526.db2.gz LTFBTEFIZSLDME-UHFFFAOYSA-N 1 2 377.517 3.720 20 30 GHEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)C(C)(C)c3ccc(C#N)cc3)CC2)cc1 ZINC000859621336 883949610 /nfs/dbraw/zinc/94/96/10/883949610.db2.gz STEBMNKLQDHRHD-UHFFFAOYSA-N 1 2 390.531 3.687 20 30 GHEDLO C[N@H+](CC(F)F)C1CCN(C(=O)C2(c3ccc(C#N)cc3)CCCC2)CC1 ZINC000859681464 883987499 /nfs/dbraw/zinc/98/74/99/883987499.db2.gz QSWDWKOBLMQSOG-UHFFFAOYSA-N 1 2 375.463 3.558 20 30 GHEDLO C[N@@H+](CC(F)F)C1CCN(C(=O)C2(c3ccc(C#N)cc3)CCCC2)CC1 ZINC000859681464 883987506 /nfs/dbraw/zinc/98/75/06/883987506.db2.gz QSWDWKOBLMQSOG-UHFFFAOYSA-N 1 2 375.463 3.558 20 30 GHEDLO Cc1noc([C@H]([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)C2CCOCC2)n1 ZINC000498369663 884187949 /nfs/dbraw/zinc/18/79/49/884187949.db2.gz STGKVCYMCBJGBT-QGZVFWFLSA-N 1 2 379.382 3.506 20 30 GHEDLO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000805241443 884210535 /nfs/dbraw/zinc/21/05/35/884210535.db2.gz NRDNSMODLWIQOD-QIJUGHKUSA-N 1 2 397.469 3.644 20 30 GHEDLO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000805241443 884210552 /nfs/dbraw/zinc/21/05/52/884210552.db2.gz NRDNSMODLWIQOD-QIJUGHKUSA-N 1 2 397.469 3.644 20 30 GHEDLO N#Cc1ccc2ncc(C[NH+]3CCC(C(=O)c4ccccc4Cl)CC3)n2c1 ZINC000898130080 884602015 /nfs/dbraw/zinc/60/20/15/884602015.db2.gz ALKCBLGRACRIOY-UHFFFAOYSA-N 1 2 378.863 3.954 20 30 GHEDLO CN(C)c1ccc(C#N)cc1C[NH2+]Cc1csc(=NC(=O)OC(C)(C)C)[nH]1 ZINC000898103806 884608979 /nfs/dbraw/zinc/60/89/79/884608979.db2.gz NQHFPTKHTVSZQM-UHFFFAOYSA-N 1 2 387.509 3.718 20 30 GHEDLO O[C@@]1(C(F)(F)F)CC[N@H+](Cc2ncc(C(F)(F)F)cc2Cl)CC[C@H]1F ZINC001142539142 884611855 /nfs/dbraw/zinc/61/18/55/884611855.db2.gz VLPSNGKQMLABNV-NEPJUHHUSA-N 1 2 394.718 3.981 20 30 GHEDLO O[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ncc(C(F)(F)F)cc2Cl)CC[C@H]1F ZINC001142539142 884611864 /nfs/dbraw/zinc/61/18/64/884611864.db2.gz VLPSNGKQMLABNV-NEPJUHHUSA-N 1 2 394.718 3.981 20 30 GHEDLO COC1CCC(CCNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)CC1 ZINC001183842044 912846475 /nfs/dbraw/zinc/84/64/75/912846475.db2.gz QWYJFIMMWIKPCG-FQUBMZHMSA-N 1 2 383.536 3.624 20 30 GHEDLO COC1CCC(CCNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)CC1 ZINC001183842044 912846490 /nfs/dbraw/zinc/84/64/90/912846490.db2.gz QWYJFIMMWIKPCG-FQUBMZHMSA-N 1 2 383.536 3.624 20 30 GHEDLO Cc1nc2sccn2c1C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000761914006 884957654 /nfs/dbraw/zinc/95/76/54/884957654.db2.gz QSOKZEQNRGNNIY-KRWDZBQOSA-N 1 2 395.532 3.780 20 30 GHEDLO Cc1nc2sccn2c1C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000761914006 884957674 /nfs/dbraw/zinc/95/76/74/884957674.db2.gz QSOKZEQNRGNNIY-KRWDZBQOSA-N 1 2 395.532 3.780 20 30 GHEDLO C[C@@]1(C#N)CCCN(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000612358020 885982809 /nfs/dbraw/zinc/98/28/09/885982809.db2.gz JMDIGFSOGMJYTI-XLIONFOSSA-N 1 2 392.906 3.951 20 30 GHEDLO N#CCCCOc1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000055568009 886088976 /nfs/dbraw/zinc/08/89/76/886088976.db2.gz SOKUWTKIWCEHEI-UHFFFAOYSA-N 1 2 391.387 3.715 20 30 GHEDLO C[N@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccccc1N1CCCC1 ZINC000131687483 886448504 /nfs/dbraw/zinc/44/85/04/886448504.db2.gz OMHIENQYCLQZRP-UHFFFAOYSA-N 1 2 394.544 3.973 20 30 GHEDLO C[N@@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccccc1N1CCCC1 ZINC000131687483 886448508 /nfs/dbraw/zinc/44/85/08/886448508.db2.gz OMHIENQYCLQZRP-UHFFFAOYSA-N 1 2 394.544 3.973 20 30 GHEDLO Cc1nn(-c2ccccn2)c(Cl)c1C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000862542707 886453479 /nfs/dbraw/zinc/45/34/79/886453479.db2.gz XUYMGAMXLWZNRT-UHFFFAOYSA-N 1 2 377.879 3.854 20 30 GHEDLO Cc1nn(-c2ccccn2)c(Cl)c1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000862542707 886453482 /nfs/dbraw/zinc/45/34/82/886453482.db2.gz XUYMGAMXLWZNRT-UHFFFAOYSA-N 1 2 377.879 3.854 20 30 GHEDLO C=CCn1c2nn(C[N@@H+](C)[C@H]3CCC(C)(C)C3)c(=S)n2c2ccccc2c1=O ZINC000794681395 887752950 /nfs/dbraw/zinc/75/29/50/887752950.db2.gz CIERDKACDKBKDY-HNNXBMFYSA-N 1 2 397.548 3.834 20 30 GHEDLO C=CCn1c2nn(C[N@H+](C)[C@H]3CCC(C)(C)C3)c(=S)n2c2ccccc2c1=O ZINC000794681395 887752965 /nfs/dbraw/zinc/75/29/65/887752965.db2.gz CIERDKACDKBKDY-HNNXBMFYSA-N 1 2 397.548 3.834 20 30 GHEDLO Cc1cc(Br)c2c(c1)C(=O)/C(=C\c1ncc(C[NH+](C)C)s1)CO2 ZINC000794700141 887872366 /nfs/dbraw/zinc/87/23/66/887872366.db2.gz PENAXKKMXDPHAZ-WDZFZDKYSA-N 1 2 393.306 3.934 20 30 GHEDLO C[NH+](C)Cc1cnc(/C=C2/Oc3cc(F)c(Br)cc3C2=O)s1 ZINC000794713203 887961276 /nfs/dbraw/zinc/96/12/76/887961276.db2.gz LGCKTFRPVLCVNE-WLRTZDKTSA-N 1 2 383.242 3.723 20 30 GHEDLO C#Cc1cccc(N=c2scc(-c3c(C)noc3C)n2Cc2c[nH+]cn2C)c1 ZINC000809937479 887990535 /nfs/dbraw/zinc/99/05/35/887990535.db2.gz UAPVPIROOZQHMW-UHFFFAOYSA-N 1 2 389.484 3.817 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1C ZINC000810092477 888185102 /nfs/dbraw/zinc/18/51/02/888185102.db2.gz BUIMKWIWBBKJBH-IRLDBZIGSA-N 1 2 381.520 3.584 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1C ZINC000810092477 888185109 /nfs/dbraw/zinc/18/51/09/888185109.db2.gz BUIMKWIWBBKJBH-IRLDBZIGSA-N 1 2 381.520 3.584 20 30 GHEDLO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)C1 ZINC000810536085 888564225 /nfs/dbraw/zinc/56/42/25/888564225.db2.gz IYZWBMKRAYZBCP-BUXKBTBVSA-N 1 2 378.398 3.820 20 30 GHEDLO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)C1 ZINC000810536085 888564230 /nfs/dbraw/zinc/56/42/30/888564230.db2.gz IYZWBMKRAYZBCP-BUXKBTBVSA-N 1 2 378.398 3.820 20 30 GHEDLO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)C1 ZINC000810536085 888564236 /nfs/dbraw/zinc/56/42/36/888564236.db2.gz IYZWBMKRAYZBCP-BUXKBTBVSA-N 1 2 378.398 3.820 20 30 GHEDLO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)C1 ZINC000810536085 888564243 /nfs/dbraw/zinc/56/42/43/888564243.db2.gz IYZWBMKRAYZBCP-BUXKBTBVSA-N 1 2 378.398 3.820 20 30 GHEDLO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc32)C1 ZINC000810531551 888604006 /nfs/dbraw/zinc/60/40/06/888604006.db2.gz MZZJOSCPERNDTB-VGSWGCGISA-N 1 2 381.451 3.700 20 30 GHEDLO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc32)C1 ZINC000810531551 888604016 /nfs/dbraw/zinc/60/40/16/888604016.db2.gz MZZJOSCPERNDTB-VGSWGCGISA-N 1 2 381.451 3.700 20 30 GHEDLO N#Cc1ccc(OCC[N@H+]2CCCC[C@@H]2c2nnc(CC(F)(F)F)o2)cc1 ZINC000287430964 913329486 /nfs/dbraw/zinc/32/94/86/913329486.db2.gz PMHXOFDZRXSBEL-OAHLLOKOSA-N 1 2 380.370 3.652 20 30 GHEDLO N#Cc1ccc(OCC[N@@H+]2CCCC[C@@H]2c2nnc(CC(F)(F)F)o2)cc1 ZINC000287430964 913329507 /nfs/dbraw/zinc/32/95/07/913329507.db2.gz PMHXOFDZRXSBEL-OAHLLOKOSA-N 1 2 380.370 3.652 20 30 GHEDLO N#Cc1csc(C[N@H+](Cc2ccccc2)C[C@@]2(O)CCc3ccccc32)n1 ZINC000811467870 889629141 /nfs/dbraw/zinc/62/91/41/889629141.db2.gz VNMOONYRTYOJPY-QFIPXVFZSA-N 1 2 375.497 3.851 20 30 GHEDLO N#Cc1csc(C[N@@H+](Cc2ccccc2)C[C@@]2(O)CCc3ccccc32)n1 ZINC000811467870 889629151 /nfs/dbraw/zinc/62/91/51/889629151.db2.gz VNMOONYRTYOJPY-QFIPXVFZSA-N 1 2 375.497 3.851 20 30 GHEDLO C[C@@H](O[NH+]=C(N)Cc1cccnc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000122413781 889759640 /nfs/dbraw/zinc/75/96/40/889759640.db2.gz FFFSNJFYSTYGMF-LLVKDONJSA-N 1 2 391.353 3.743 20 30 GHEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)C[C@](C)(c2ccc(F)cc2)C1=O ZINC000811733459 889931928 /nfs/dbraw/zinc/93/19/28/889931928.db2.gz PETKBTPELAMYID-HSZRJFAPSA-N 1 2 393.462 3.584 20 30 GHEDLO CCC[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)C[C@](C)(c2ccc(F)cc2)C1=O ZINC000811733459 889931931 /nfs/dbraw/zinc/93/19/31/889931931.db2.gz PETKBTPELAMYID-HSZRJFAPSA-N 1 2 393.462 3.584 20 30 GHEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(C(=O)OC(C)(C)C)CC1 ZINC000533262629 890160845 /nfs/dbraw/zinc/16/08/45/890160845.db2.gz GORKMVDWUBINEL-ZDUSSCGKSA-N 1 2 391.899 3.592 20 30 GHEDLO N#CCCCOc1cccc(C[NH+]2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000125856299 890210954 /nfs/dbraw/zinc/21/09/54/890210954.db2.gz LRUPQAZOCFKCRT-UHFFFAOYSA-N 1 2 397.906 3.981 20 30 GHEDLO C[N@H+](CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)Cc1cccc(C#N)c1 ZINC000026326033 890344536 /nfs/dbraw/zinc/34/45/36/890344536.db2.gz VTYQUNFEAYFGFA-IBGZPJMESA-N 1 2 388.427 3.554 20 30 GHEDLO C[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)Cc1cccc(C#N)c1 ZINC000026326033 890344554 /nfs/dbraw/zinc/34/45/54/890344554.db2.gz VTYQUNFEAYFGFA-IBGZPJMESA-N 1 2 388.427 3.554 20 30 GHEDLO CCOC(=O)c1ccc(N[NH+]=C(C)c2cccc(N3CCOCC3)c2)cc1C ZINC000812228494 890418121 /nfs/dbraw/zinc/41/81/21/890418121.db2.gz ROXDRTATQBBLMJ-UHFFFAOYSA-N 1 2 381.476 3.844 20 30 GHEDLO Fc1ccc(N[NH+]=Cc2ccc(N3CCOCC3)s2)c(Br)c1 ZINC000812461791 890651615 /nfs/dbraw/zinc/65/16/15/890651615.db2.gz INDGYKSPHKQGDF-UHFFFAOYSA-N 1 2 384.274 3.932 20 30 GHEDLO N#Cc1ccc(CSc2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)o1 ZINC000871630253 890947593 /nfs/dbraw/zinc/94/75/93/890947593.db2.gz WJWHMVQNCWTGJI-UHFFFAOYSA-N 1 2 379.489 3.679 20 30 GHEDLO Cc1cc(C)c(NC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)c(C)[nH+]1 ZINC000455494485 891020361 /nfs/dbraw/zinc/02/03/61/891020361.db2.gz NBMZOPIXFBMSJL-UHFFFAOYSA-N 1 2 379.464 3.785 20 30 GHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1=S ZINC000747833490 891215006 /nfs/dbraw/zinc/21/50/06/891215006.db2.gz XCDMEMBQKAQEIK-RTBURBONSA-N 1 2 399.564 3.758 20 30 GHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1=S ZINC000747833490 891215020 /nfs/dbraw/zinc/21/50/20/891215020.db2.gz XCDMEMBQKAQEIK-RTBURBONSA-N 1 2 399.564 3.758 20 30 GHEDLO N#C[C@@H](C(=O)C[NH+]1CCC(C2CCCCC2)CC1)c1nc2ccccc2c(=O)[nH]1 ZINC000917134224 891414102 /nfs/dbraw/zinc/41/41/02/891414102.db2.gz RABGWWIVTQWPHL-IBGZPJMESA-N 1 2 392.503 3.804 20 30 GHEDLO COC(=O)c1cccc(C[N@@H+](Cc2cccc(OC)c2)C[C@H]2CCCO2)c1C#N ZINC000533777277 892941828 /nfs/dbraw/zinc/94/18/28/892941828.db2.gz XVTYMHHAAMCTKB-HXUWFJFHSA-N 1 2 394.471 3.535 20 30 GHEDLO COC(=O)c1cccc(C[N@H+](Cc2cccc(OC)c2)C[C@H]2CCCO2)c1C#N ZINC000533777277 892941841 /nfs/dbraw/zinc/94/18/41/892941841.db2.gz XVTYMHHAAMCTKB-HXUWFJFHSA-N 1 2 394.471 3.535 20 30 GHEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC=C(c3c[nH]c4ccccc34)CC2)cc1 ZINC000747960357 892950757 /nfs/dbraw/zinc/95/07/57/892950757.db2.gz ZXHHUIZHTSRBGP-UHFFFAOYSA-N 1 2 391.496 3.603 20 30 GHEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC=C(c3c[nH]c4ccccc34)CC2)cc1 ZINC000747960357 892950766 /nfs/dbraw/zinc/95/07/66/892950766.db2.gz ZXHHUIZHTSRBGP-UHFFFAOYSA-N 1 2 391.496 3.603 20 30 GHEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCCc2cccc(C#N)c2)C[C@@H](C)O1 ZINC000466821109 913723507 /nfs/dbraw/zinc/72/35/07/913723507.db2.gz FNFWZMFGXFFXBV-QZTJIDSGSA-N 1 2 392.503 3.532 20 30 GHEDLO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933625507 893107214 /nfs/dbraw/zinc/10/72/14/893107214.db2.gz VFDJHWBRUMSLHY-FQEVSTJZSA-N 1 2 399.878 3.622 20 30 GHEDLO COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933625507 893107223 /nfs/dbraw/zinc/10/72/23/893107223.db2.gz VFDJHWBRUMSLHY-FQEVSTJZSA-N 1 2 399.878 3.622 20 30 GHEDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)Cc1cc(C#N)cs1 ZINC000933775227 893210565 /nfs/dbraw/zinc/21/05/65/893210565.db2.gz LVILLQPVSKMZDZ-JTQLQIEISA-N 1 2 378.841 3.640 20 30 GHEDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933775227 893210579 /nfs/dbraw/zinc/21/05/79/893210579.db2.gz LVILLQPVSKMZDZ-JTQLQIEISA-N 1 2 378.841 3.640 20 30 GHEDLO CC(C)(C)Oc1ccc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1C#N ZINC000455778239 893300339 /nfs/dbraw/zinc/30/03/39/893300339.db2.gz UOBPYHKBEGEPLS-GOSISDBHSA-N 1 2 380.448 3.816 20 30 GHEDLO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000498115629 893318206 /nfs/dbraw/zinc/31/82/06/893318206.db2.gz DMWROBSYAMYTGW-SJLPKXTDSA-N 1 2 375.831 3.898 20 30 GHEDLO CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000498115629 893318224 /nfs/dbraw/zinc/31/82/24/893318224.db2.gz DMWROBSYAMYTGW-SJLPKXTDSA-N 1 2 375.831 3.898 20 30 GHEDLO C=CCOc1ccccc1C[NH2+]Cc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1 ZINC000877040211 893452564 /nfs/dbraw/zinc/45/25/64/893452564.db2.gz VIXMMLSLTHSEGM-UHFFFAOYSA-N 1 2 399.491 3.864 20 30 GHEDLO COc1cc(NC2CC[NH+](Cc3c(C#N)cccc3[N+](=O)[O-])CC2)cc(OC)c1 ZINC000459395147 893452778 /nfs/dbraw/zinc/45/27/78/893452778.db2.gz UXKMLUYAVMWJJM-UHFFFAOYSA-N 1 2 396.447 3.560 20 30 GHEDLO C[N@@H+](Cc1cc(C#N)cnc1Cl)C[C@@H](O)c1ccccc1Br ZINC000877577097 893699800 /nfs/dbraw/zinc/69/98/00/893699800.db2.gz TZOZBTULQLMPIR-OAHLLOKOSA-N 1 2 380.673 3.535 20 30 GHEDLO C[N@H+](Cc1cc(C#N)cnc1Cl)C[C@@H](O)c1ccccc1Br ZINC000877577097 893699802 /nfs/dbraw/zinc/69/98/02/893699802.db2.gz TZOZBTULQLMPIR-OAHLLOKOSA-N 1 2 380.673 3.535 20 30 GHEDLO N#Cc1cccc(-c2nnc(C[NH2+][C@@H](c3ccccc3)C3(CO)CCCC3)o2)c1 ZINC000459535835 893756089 /nfs/dbraw/zinc/75/60/89/893756089.db2.gz SEUJUTWYRGSGDH-NRFANRHFSA-N 1 2 388.471 3.992 20 30 GHEDLO CC(C)c1ccc(Nc2nnc(SC[C@H](O)C[N@H+](C)CCC#N)s2)cc1 ZINC000563607307 893964726 /nfs/dbraw/zinc/96/47/26/893964726.db2.gz WHNXDHAAIKCDSC-MRXNPFEDSA-N 1 2 391.566 3.704 20 30 GHEDLO CC(C)c1ccc(Nc2nnc(SC[C@H](O)C[N@@H+](C)CCC#N)s2)cc1 ZINC000563607307 893964731 /nfs/dbraw/zinc/96/47/31/893964731.db2.gz WHNXDHAAIKCDSC-MRXNPFEDSA-N 1 2 391.566 3.704 20 30 GHEDLO C[C@@H]([NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)c1c(F)cccc1F ZINC000774867065 913834835 /nfs/dbraw/zinc/83/48/35/913834835.db2.gz QXULTRDUQZXKIX-TZMCWYRMSA-N 1 2 378.382 3.853 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC=C(c3ccccn3)C2)cc1 ZINC000563727133 894116384 /nfs/dbraw/zinc/11/63/84/894116384.db2.gz RWSVZRCHBGEGDR-UHFFFAOYSA-N 1 2 390.487 3.516 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC=C(c3ccccn3)C2)cc1 ZINC000563727133 894116387 /nfs/dbraw/zinc/11/63/87/894116387.db2.gz RWSVZRCHBGEGDR-UHFFFAOYSA-N 1 2 390.487 3.516 20 30 GHEDLO N#Cc1c(NC(=O)CC[N@@H+]2CCC(=O)CC23CCC3)sc2c1CCCCC2 ZINC000564342197 894880097 /nfs/dbraw/zinc/88/00/97/894880097.db2.gz GXSAPLKWGAXERD-UHFFFAOYSA-N 1 2 385.533 3.805 20 30 GHEDLO N#Cc1c(NC(=O)CC[N@H+]2CCC(=O)CC23CCC3)sc2c1CCCCC2 ZINC000564342197 894880111 /nfs/dbraw/zinc/88/01/11/894880111.db2.gz GXSAPLKWGAXERD-UHFFFAOYSA-N 1 2 385.533 3.805 20 30 GHEDLO Cc1cccc(Cc2cnc(NC(=O)C[NH+]3CCC(CCC#N)CC3)s2)c1 ZINC000564916303 895309326 /nfs/dbraw/zinc/30/93/26/895309326.db2.gz LEVQWEIMCSPVFS-UHFFFAOYSA-N 1 2 382.533 3.997 20 30 GHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](C(F)(F)F)O[C@H](C)C2)c1C ZINC000880059883 895485329 /nfs/dbraw/zinc/48/53/29/895485329.db2.gz LJSQPVWCYMVWIB-CRAIPNDOSA-N 1 2 397.441 3.592 20 30 GHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](C(F)(F)F)O[C@H](C)C2)c1C ZINC000880059883 895485335 /nfs/dbraw/zinc/48/53/35/895485335.db2.gz LJSQPVWCYMVWIB-CRAIPNDOSA-N 1 2 397.441 3.592 20 30 GHEDLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)Nc2cccc(CC#N)n2)CC1 ZINC000881143298 896194962 /nfs/dbraw/zinc/19/49/62/896194962.db2.gz NZFVYSPYCXNRGX-LJQANCHMSA-N 1 2 381.455 3.588 20 30 GHEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000567607486 897290312 /nfs/dbraw/zinc/29/03/12/897290312.db2.gz XXSFZIAMKZLUQZ-KLIQENQMSA-N 1 2 395.906 3.505 20 30 GHEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000567607486 897290318 /nfs/dbraw/zinc/29/03/18/897290318.db2.gz XXSFZIAMKZLUQZ-KLIQENQMSA-N 1 2 395.906 3.505 20 30 GHEDLO C#CCCCOc1ccc[nH+]c1NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000820629461 897421220 /nfs/dbraw/zinc/42/12/20/897421220.db2.gz KPAUVGDUVCVYJL-UHFFFAOYSA-N 1 2 379.504 3.695 20 30 GHEDLO N#Cc1cc(Oc2ccc(NC(=O)NCCCCn3cc[nH+]c3)cc2)ccn1 ZINC000568451470 897848448 /nfs/dbraw/zinc/84/84/48/897848448.db2.gz ZTNKSDWPVDREQJ-UHFFFAOYSA-N 1 2 376.420 3.544 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000568516651 897903559 /nfs/dbraw/zinc/90/35/59/897903559.db2.gz IMNUGZBUPCBPNT-UHFFFAOYSA-N 1 2 384.867 3.828 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000568516651 897903563 /nfs/dbraw/zinc/90/35/63/897903563.db2.gz IMNUGZBUPCBPNT-UHFFFAOYSA-N 1 2 384.867 3.828 20 30 GHEDLO C=CC[N@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC000568789683 898101548 /nfs/dbraw/zinc/10/15/48/898101548.db2.gz PROKPCAEWGQDLF-CYBMUJFWSA-N 1 2 383.945 3.937 20 30 GHEDLO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC000568789683 898101557 /nfs/dbraw/zinc/10/15/57/898101557.db2.gz PROKPCAEWGQDLF-CYBMUJFWSA-N 1 2 383.945 3.937 20 30 GHEDLO C=CC[N@@H+](Cc1ccc(N(C)Cc2cccs2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000823414586 898990026 /nfs/dbraw/zinc/99/00/26/898990026.db2.gz VIPWSIUSJRHUFL-IBGZPJMESA-N 1 2 390.574 3.560 20 30 GHEDLO C=CC[N@H+](Cc1ccc(N(C)Cc2cccs2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000823414586 898990036 /nfs/dbraw/zinc/99/00/36/898990036.db2.gz VIPWSIUSJRHUFL-IBGZPJMESA-N 1 2 390.574 3.560 20 30 GHEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000823914177 899297931 /nfs/dbraw/zinc/29/79/31/899297931.db2.gz CHNHZSFTLMAEIF-UHFFFAOYSA-N 1 2 384.827 3.617 20 30 GHEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000823914177 899297943 /nfs/dbraw/zinc/29/79/43/899297943.db2.gz CHNHZSFTLMAEIF-UHFFFAOYSA-N 1 2 384.827 3.617 20 30 GHEDLO Cc1nsc(N2CC[NH+](Cc3ccc(OCC(F)(F)F)cc3)CC2)c1C#N ZINC000572516798 900212260 /nfs/dbraw/zinc/21/22/60/900212260.db2.gz MIKUHLCRIMKJKX-UHFFFAOYSA-N 1 2 396.438 3.587 20 30 GHEDLO N#Cc1cccc(Cl)c1C[N@H+]1CC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC001143723790 900442116 /nfs/dbraw/zinc/44/21/16/900442116.db2.gz SWOXOGUMGNMSEP-YWZLYKJASA-N 1 2 387.842 3.558 20 30 GHEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC001143723790 900442126 /nfs/dbraw/zinc/44/21/26/900442126.db2.gz SWOXOGUMGNMSEP-YWZLYKJASA-N 1 2 387.842 3.558 20 30 GHEDLO N#Cc1cccc(Cl)c1CN1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001143724564 900443992 /nfs/dbraw/zinc/44/39/92/900443992.db2.gz QINDSTBPUKSWML-MRXNPFEDSA-N 1 2 393.878 3.514 20 30 GHEDLO Cc1c(C[N@@H+](C)Cc2nc3ccccc3c(=O)n2CC#N)oc2c1cccc2C ZINC000844421815 900825150 /nfs/dbraw/zinc/82/51/50/900825150.db2.gz VISYTWUUDDQLMC-UHFFFAOYSA-N 1 2 386.455 3.915 20 30 GHEDLO Cc1c(C[N@H+](C)Cc2nc3ccccc3c(=O)n2CC#N)oc2c1cccc2C ZINC000844421815 900825156 /nfs/dbraw/zinc/82/51/56/900825156.db2.gz VISYTWUUDDQLMC-UHFFFAOYSA-N 1 2 386.455 3.915 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886685051 901226439 /nfs/dbraw/zinc/22/64/39/901226439.db2.gz ZCTRRISORYQAGJ-IAGOWNOFSA-N 1 2 395.532 3.546 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886685051 901226447 /nfs/dbraw/zinc/22/64/47/901226447.db2.gz ZCTRRISORYQAGJ-IAGOWNOFSA-N 1 2 395.532 3.546 20 30 GHEDLO N#CCCOCC[N@@H+](CC(=O)Nc1ccccc1F)Cc1ccc(Cl)cc1 ZINC000575775549 901293246 /nfs/dbraw/zinc/29/32/46/901293246.db2.gz QWKQJGASWTXCKD-UHFFFAOYSA-N 1 2 389.858 3.850 20 30 GHEDLO N#CCCOCC[N@H+](CC(=O)Nc1ccccc1F)Cc1ccc(Cl)cc1 ZINC000575775549 901293255 /nfs/dbraw/zinc/29/32/55/901293255.db2.gz QWKQJGASWTXCKD-UHFFFAOYSA-N 1 2 389.858 3.850 20 30 GHEDLO CCOc1cc(C[N@H+](C)[C@@H](C)CC#N)ccc1OCC(=O)Nc1ccccc1 ZINC000093090634 901529413 /nfs/dbraw/zinc/52/94/13/901529413.db2.gz MKPHBRLYWRUBHU-KRWDZBQOSA-N 1 2 381.476 3.837 20 30 GHEDLO CCOc1cc(C[N@@H+](C)[C@@H](C)CC#N)ccc1OCC(=O)Nc1ccccc1 ZINC000093090634 901529422 /nfs/dbraw/zinc/52/94/22/901529422.db2.gz MKPHBRLYWRUBHU-KRWDZBQOSA-N 1 2 381.476 3.837 20 30 GHEDLO C[C@H](CC(=O)[C@H](C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)n1cc[nH+]c1 ZINC000845528509 902233261 /nfs/dbraw/zinc/23/32/61/902233261.db2.gz IDUYELIFFJNGOO-XUJVJEKNSA-N 1 2 393.274 3.727 20 30 GHEDLO C[C@@H](CC(=O)OC[C@H](C#N)Cc1ccccc1Br)n1cc[nH+]c1 ZINC000845542943 902236987 /nfs/dbraw/zinc/23/69/87/902236987.db2.gz XXBPAKOJWLCYHB-KBPBESRZSA-N 1 2 376.254 3.522 20 30 GHEDLO C=CCOc1ccc(C[N@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1OC ZINC000125914865 902266289 /nfs/dbraw/zinc/26/62/89/902266289.db2.gz NPFMBTUIJZVNCZ-INIZCTEOSA-N 1 2 389.517 3.857 20 30 GHEDLO C=CCOc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1OC ZINC000125914865 902266298 /nfs/dbraw/zinc/26/62/98/902266298.db2.gz NPFMBTUIJZVNCZ-INIZCTEOSA-N 1 2 389.517 3.857 20 30 GHEDLO C[C@H](CC(=O)OC[C@@H](C#N)Cc1cc(Br)ccc1F)n1cc[nH+]c1 ZINC000845593022 902274672 /nfs/dbraw/zinc/27/46/72/902274672.db2.gz UITYFWRZSKPQDA-CHWSQXEVSA-N 1 2 394.244 3.661 20 30 GHEDLO CC(C)N1C(=O)C[C@H]([NH2+]Cc2nc(C#N)cs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000577105919 902506219 /nfs/dbraw/zinc/50/62/19/902506219.db2.gz FVVVWLNTNWIPHF-YJBOKZPZSA-N 1 2 392.887 3.647 20 30 GHEDLO N#CCCCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cscc1Br ZINC001275540729 914652343 /nfs/dbraw/zinc/65/23/43/914652343.db2.gz MTLSTBJPYYWGHB-KRWDZBQOSA-N 1 2 396.354 3.771 20 30 GHEDLO N#CCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cscc1Br ZINC001275540729 914652350 /nfs/dbraw/zinc/65/23/50/914652350.db2.gz MTLSTBJPYYWGHB-KRWDZBQOSA-N 1 2 396.354 3.771 20 30 GHEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[NH+]1CCC(c2ccc3cccnc3n2)CC1 ZINC000847035607 903387676 /nfs/dbraw/zinc/38/76/76/903387676.db2.gz RJQUCSDSIDOBSE-NRFANRHFSA-N 1 2 386.455 3.595 20 30 GHEDLO C=C(C)C(C)(C)c1nc(-c2ccc(N3CCN(c4cccc[nH+]4)CC3)nc2)no1 ZINC000579226710 904441507 /nfs/dbraw/zinc/44/15/07/904441507.db2.gz DYCCBBCJVNYGKQ-UHFFFAOYSA-N 1 2 390.491 3.707 20 30 GHEDLO C=C[C@H]1C[C@]1([NH2+]C1CCN(c2ccc(Br)cc2)CC1)C(=O)OCC ZINC001171992657 905205238 /nfs/dbraw/zinc/20/52/38/905205238.db2.gz NLASNPBAOQVOCM-IFXJQAMLSA-N 1 2 393.325 3.515 20 30 GHEDLO CCCC[N@H+](CCC#N)[C@H]1C[C@@H](C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C1 ZINC001172696527 905743524 /nfs/dbraw/zinc/74/35/24/905743524.db2.gz DIYDSCVWEMILGG-IRXDYDNUSA-N 1 2 395.544 3.722 20 30 GHEDLO CCCC[N@@H+](CCC#N)[C@H]1C[C@@H](C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C1 ZINC001172696527 905743535 /nfs/dbraw/zinc/74/35/35/905743535.db2.gz DIYDSCVWEMILGG-IRXDYDNUSA-N 1 2 395.544 3.722 20 30 GHEDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000366069678 921300947 /nfs/dbraw/zinc/30/09/47/921300947.db2.gz XRSIFCQLZTXFBG-KXBFYZLASA-N 1 2 397.548 3.898 20 30 GHEDLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000366069678 921300949 /nfs/dbraw/zinc/30/09/49/921300949.db2.gz XRSIFCQLZTXFBG-KXBFYZLASA-N 1 2 397.548 3.898 20 30 GHEDLO CN(C)c1ccc(Nc2ccc(CC#N)cc2I)c[nH+]1 ZINC001175346089 907485676 /nfs/dbraw/zinc/48/56/76/907485676.db2.gz MFMBWBJFIRBPRQ-UHFFFAOYSA-N 1 2 378.217 3.562 20 30 GHEDLO C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000184125346 907521014 /nfs/dbraw/zinc/52/10/14/907521014.db2.gz FAASDOJHRSENME-CVEARBPZSA-N 1 2 384.505 3.950 20 30 GHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC001176235197 907997402 /nfs/dbraw/zinc/99/74/02/907997402.db2.gz PPEUMPAJDTYCGY-VQIMIIECSA-N 1 2 381.501 3.597 20 30 GHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC001176235197 907997412 /nfs/dbraw/zinc/99/74/12/907997412.db2.gz PPEUMPAJDTYCGY-VQIMIIECSA-N 1 2 381.501 3.597 20 30 GHEDLO N#Cc1ccc([C@H](O)C[N@@H+]2CCc3cc(F)c(Br)cc3C2)cc1 ZINC001176451972 908115519 /nfs/dbraw/zinc/11/55/19/908115519.db2.gz HGXRIGCKNVKMCB-GOSISDBHSA-N 1 2 375.241 3.552 20 30 GHEDLO N#Cc1ccc([C@H](O)C[N@H+]2CCc3cc(F)c(Br)cc3C2)cc1 ZINC001176451972 908115523 /nfs/dbraw/zinc/11/55/23/908115523.db2.gz HGXRIGCKNVKMCB-GOSISDBHSA-N 1 2 375.241 3.552 20 30 GHEDLO O=[N+]([O-])c1ccc(N[NH+]=Cc2ccc(N3CCCC3)nc2)c(Br)c1 ZINC000777452053 908331479 /nfs/dbraw/zinc/33/14/79/908331479.db2.gz RYOFKLCQIIIUCD-UHFFFAOYSA-N 1 2 390.241 3.799 20 30 GHEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c(Cl)cccc1Br ZINC001276025769 921483050 /nfs/dbraw/zinc/48/30/50/921483050.db2.gz QZSRPMAMVZMNIV-GOSISDBHSA-N 1 2 395.728 3.693 20 30 GHEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c(Cl)cccc1Br ZINC001276025769 921483061 /nfs/dbraw/zinc/48/30/61/921483061.db2.gz QZSRPMAMVZMNIV-GOSISDBHSA-N 1 2 395.728 3.693 20 30 GHEDLO CC[NH+](CC)[C@@H](C(=O)NC1(C#N)Cc2ccccc2C1)c1ccccc1Cl ZINC001182220525 911311229 /nfs/dbraw/zinc/31/12/29/911311229.db2.gz CNDSLIGYLIVVQM-HXUWFJFHSA-N 1 2 381.907 3.900 20 30 GHEDLO C=CC[NH+]1CCN(C(=O)[C@@H](C)Oc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC001182927965 912161654 /nfs/dbraw/zinc/16/16/54/912161654.db2.gz WCFDVSLKXVIZQV-LLVKDONJSA-N 1 2 377.699 3.744 20 30 GHEDLO CN(C)c1[nH+]ccc2cc(NC(=O)c3ccn(-c4cccc(C#N)c4)n3)ccc21 ZINC001273536870 915104268 /nfs/dbraw/zinc/10/42/68/915104268.db2.gz RLKCTJYQXHJRTA-UHFFFAOYSA-N 1 2 382.427 3.610 20 30 GHEDLO CCOc1ccc2c(c1)C[N@H+]([C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)CC2 ZINC001190572597 917415808 /nfs/dbraw/zinc/41/58/08/917415808.db2.gz WIALODFYJSGKCU-AWEZNQCLSA-N 1 2 383.879 3.996 20 30 GHEDLO CCOc1ccc2c(c1)C[N@@H+]([C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)CC2 ZINC001190572597 917415825 /nfs/dbraw/zinc/41/58/25/917415825.db2.gz WIALODFYJSGKCU-AWEZNQCLSA-N 1 2 383.879 3.996 20 30 GHEDLO CN(C)C(=O)Sc1cccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)c1 ZINC000121391105 918055902 /nfs/dbraw/zinc/05/59/02/918055902.db2.gz SZHNPQLLTSYSOI-OAQYLSRUSA-N 1 2 394.544 3.843 20 30 GHEDLO C[N@@H+]1CCc2nc(NC(=O)c3cn(CCCC#N)c4ccccc34)sc2C1 ZINC000365542614 920929348 /nfs/dbraw/zinc/92/93/48/920929348.db2.gz AJDJUHGNIOTCRZ-UHFFFAOYSA-N 1 2 379.489 3.642 20 30 GHEDLO C[N@H+]1CCc2nc(NC(=O)c3cn(CCCC#N)c4ccccc34)sc2C1 ZINC000365542614 920929366 /nfs/dbraw/zinc/92/93/66/920929366.db2.gz AJDJUHGNIOTCRZ-UHFFFAOYSA-N 1 2 379.489 3.642 20 30 GHEDLO N#Cc1ccnc(CSc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2)c1 ZINC000901365843 921040573 /nfs/dbraw/zinc/04/05/73/921040573.db2.gz SGEWTIXGCVQYMY-UHFFFAOYSA-N 1 2 390.516 3.812 20 30 GHEDLO C#C[C@@H](C)Oc1ccc(COC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)cc1 ZINC000802809147 922426015 /nfs/dbraw/zinc/42/60/15/922426015.db2.gz BOGKZIZZSCZIAN-CYBMUJFWSA-N 1 2 384.382 3.767 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@@]2(C1)C[C@@H]([NH2+]CC1(C#N)CC1)c1ccccc1O2 ZINC000903106076 922777437 /nfs/dbraw/zinc/77/74/37/922777437.db2.gz MINTVXOBCXYVBY-VGSWGCGISA-N 1 2 383.492 3.783 20 30 GHEDLO C[C@@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[NH+]1CCC(CC#N)CC1 ZINC000543807091 924334326 /nfs/dbraw/zinc/33/43/26/924334326.db2.gz LWKWNLHAZNUMPN-KRWDZBQOSA-N 1 2 375.472 3.870 20 30 GHEDLO N#CCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1c(F)ccc(F)c1Cl)CC2 ZINC001276072954 925231272 /nfs/dbraw/zinc/23/12/72/925231272.db2.gz VCDZPEUBYNGAGF-AWEZNQCLSA-N 1 2 381.854 3.640 20 30 GHEDLO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000372342742 925349201 /nfs/dbraw/zinc/34/92/01/925349201.db2.gz XWQKVAJHYDHYSB-HXUWFJFHSA-N 1 2 399.878 3.622 20 30 GHEDLO COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000372342742 925349210 /nfs/dbraw/zinc/34/92/10/925349210.db2.gz XWQKVAJHYDHYSB-HXUWFJFHSA-N 1 2 399.878 3.622 20 30 GHEDLO C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1c(Br)ccc(F)c1F)CC2 ZINC001276383880 926398407 /nfs/dbraw/zinc/39/84/07/926398407.db2.gz SAGYHXKQQCHKLZ-ZDUSSCGKSA-N 1 2 399.279 3.632 20 30 GHEDLO C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1c(Br)ccc(F)c1F)CC2 ZINC001276383879 926398793 /nfs/dbraw/zinc/39/87/93/926398793.db2.gz SAGYHXKQQCHKLZ-CYBMUJFWSA-N 1 2 399.279 3.632 20 30 GHEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000374356606 927048271 /nfs/dbraw/zinc/04/82/71/927048271.db2.gz HQKPQKYGIBMPAF-IBGZPJMESA-N 1 2 386.455 3.500 20 30 GHEDLO C=CCn1c(-c2ccccc2F)nn(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1=S ZINC000749798419 927277103 /nfs/dbraw/zinc/27/71/03/927277103.db2.gz HLKWQZCRPTVZSB-HZPDHXFCSA-N 1 2 388.512 3.722 20 30 GHEDLO C=CCn1c(-c2ccccc2F)nn(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1=S ZINC000749798419 927277118 /nfs/dbraw/zinc/27/71/18/927277118.db2.gz HLKWQZCRPTVZSB-HZPDHXFCSA-N 1 2 388.512 3.722 20 30 GHEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000752007863 928547842 /nfs/dbraw/zinc/54/78/42/928547842.db2.gz SZWGOLIOJCBJIN-VXKWHMMOSA-N 1 2 385.471 3.854 20 30 GHEDLO C(=NNC1=[NH+][C@H]2CCCC[C@@H]2N1)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000753927171 929595847 /nfs/dbraw/zinc/59/58/47/929595847.db2.gz BERNGYUPNJEARN-ROUUACIJSA-N 1 2 390.516 3.795 20 30 GHEDLO O=[N+]([O-])c1cccc(Oc2ccc(C=NNC3=[NH+][C@@H]4CCCC[C@@H]4N3)cc2)c1 ZINC000753928128 929596844 /nfs/dbraw/zinc/59/68/44/929596844.db2.gz IODLDOLDSIVVRZ-KDURUIRLSA-N 1 2 379.420 3.581 20 30 GHEDLO CCOc1cc(Cl)ccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000469616307 930030848 /nfs/dbraw/zinc/03/08/48/930030848.db2.gz XYLUOEKMYRXIBO-UHFFFAOYSA-N 1 2 398.894 3.960 20 30 GHEDLO COC(=O)c1ccc(N[NH+]=C(C)c2ccc(N3CCOCC3)cc2)cc1Cl ZINC000782238455 931134256 /nfs/dbraw/zinc/13/42/56/931134256.db2.gz ONSOCWDHRPMROE-UHFFFAOYSA-N 1 2 387.867 3.799 20 30 GHEDLO C=CCn1c2nn(C[N@H+](C)C[C@@H]3CC=CCC3)c(=S)n2c2ccccc2c1=O ZINC000784015730 931755846 /nfs/dbraw/zinc/75/58/46/931755846.db2.gz QJEURBWWERYABM-MRXNPFEDSA-N 1 2 395.532 3.612 20 30 GHEDLO C=CCn1c2nn(C[N@@H+](C)C[C@@H]3CC=CCC3)c(=S)n2c2ccccc2c1=O ZINC000784015730 931755852 /nfs/dbraw/zinc/75/58/52/931755852.db2.gz QJEURBWWERYABM-MRXNPFEDSA-N 1 2 395.532 3.612 20 30 GHEDLO C=CCOc1cc(OC)ccc1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000558587631 932089373 /nfs/dbraw/zinc/08/93/73/932089373.db2.gz RSDPIOARQDEPQI-KRWDZBQOSA-N 1 2 395.503 3.813 20 30 GHEDLO CC[C@@H]([NH2+]C[C@@H]1CCCN(C2CC2)[C@H]1c1ccnn1C)c1cccc(C#N)c1O ZINC000926643119 932258581 /nfs/dbraw/zinc/25/85/81/932258581.db2.gz QAZFULYYBVQECR-UCNVEGJOSA-N 1 2 393.535 3.654 20 30 GHEDLO COc1ccc2cc(C[NH2+][C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)ccc2c1 ZINC000798274582 932587264 /nfs/dbraw/zinc/58/72/64/932587264.db2.gz GXRZTXUQTJCBNJ-AZUAARDMSA-N 1 2 381.476 3.697 20 30 GHEDLO O=C(NCC1CC[NH+](Cc2cc(F)cc(C(F)(F)F)c2)CC1)C(F)(F)F ZINC000798954971 932838559 /nfs/dbraw/zinc/83/85/59/932838559.db2.gz DSQFZRUSAMVNAW-UHFFFAOYSA-N 1 2 386.311 3.735 20 30 GHEDLO C#CCOc1cccc(Cl)c1CNc1ccc(N2CCC(CO)CC2)c[nH+]1 ZINC000777733706 933200722 /nfs/dbraw/zinc/20/07/22/933200722.db2.gz UENYKTQSCALYBY-UHFFFAOYSA-N 1 2 385.895 3.568 20 30 GHEDLO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c(C#N)c1C ZINC001116345941 933497299 /nfs/dbraw/zinc/49/72/99/933497299.db2.gz IRKLBYZUIFZUAO-OAHLLOKOSA-N 1 2 393.516 3.931 20 30 GHEDLO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c(C#N)c1C ZINC001116345941 933497307 /nfs/dbraw/zinc/49/73/07/933497307.db2.gz IRKLBYZUIFZUAO-OAHLLOKOSA-N 1 2 393.516 3.931 20 30 GHEDLO CN(Cc1cccc2ccccc21)c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001121324651 934627687 /nfs/dbraw/zinc/62/76/87/934627687.db2.gz VBEYUPDQCHVXJW-UHFFFAOYSA-N 1 2 388.519 3.698 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC[C@@H](OCC)C1 ZINC001121581252 934704954 /nfs/dbraw/zinc/70/49/54/934704954.db2.gz LAMCFQQWRKRPLS-AZUAARDMSA-N 1 2 383.540 3.662 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC[C@@H](OCC)C1 ZINC001121581252 934704960 /nfs/dbraw/zinc/70/49/60/934704960.db2.gz LAMCFQQWRKRPLS-AZUAARDMSA-N 1 2 383.540 3.662 20 30 GHEDLO N#Cc1ccc(F)cc1C[N@H+]1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000562317088 934818876 /nfs/dbraw/zinc/81/88/76/934818876.db2.gz XPHYSGUZEYWCCA-UHFFFAOYSA-N 1 2 389.430 3.516 20 30 GHEDLO N#Cc1ccc(F)cc1C[N@@H+]1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000562317088 934818878 /nfs/dbraw/zinc/81/88/78/934818878.db2.gz XPHYSGUZEYWCCA-UHFFFAOYSA-N 1 2 389.430 3.516 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[C@@H](c2ccccc2OC)C1 ZINC001122440923 934870181 /nfs/dbraw/zinc/87/01/81/934870181.db2.gz MONXQAFDQKWICI-MJGOQNOKSA-N 1 2 381.524 3.623 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[C@@H](c2ccccc2OC)C1 ZINC001122440923 934870184 /nfs/dbraw/zinc/87/01/84/934870184.db2.gz MONXQAFDQKWICI-MJGOQNOKSA-N 1 2 381.524 3.623 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 ZINC001122444369 934871418 /nfs/dbraw/zinc/87/14/18/934871418.db2.gz ACHGUVBTIDNIDZ-VAMGGRTRSA-N 1 2 398.555 3.834 20 30 GHEDLO COc1cc(C#N)ccc1NC(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001123417136 935187799 /nfs/dbraw/zinc/18/77/99/935187799.db2.gz XXBUKDAVMCSNON-INIZCTEOSA-N 1 2 381.480 3.930 20 30 GHEDLO C#CC[C@H]1CCC[N@@H+](Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000829778553 935859987 /nfs/dbraw/zinc/85/99/87/935859987.db2.gz DVEXPYIRJJGUSV-LBPRGKRZSA-N 1 2 383.805 3.570 20 30 GHEDLO C#CC[C@H]1CCC[N@H+](Cc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000829778553 935859991 /nfs/dbraw/zinc/85/99/91/935859991.db2.gz DVEXPYIRJJGUSV-LBPRGKRZSA-N 1 2 383.805 3.570 20 30 GHEDLO N#Cc1cccc(N2C[C@]3(CC[N@@H+](Cc4c(F)ccc(F)c4F)C3)CC2=O)c1 ZINC001137929246 935875380 /nfs/dbraw/zinc/87/53/80/935875380.db2.gz QBUGOXRTNYIWIE-OAQYLSRUSA-N 1 2 385.389 3.605 20 30 GHEDLO N#Cc1cccc(N2C[C@]3(CC[N@H+](Cc4c(F)ccc(F)c4F)C3)CC2=O)c1 ZINC001137929246 935875383 /nfs/dbraw/zinc/87/53/83/935875383.db2.gz QBUGOXRTNYIWIE-OAQYLSRUSA-N 1 2 385.389 3.605 20 30 GHEDLO C=C[C@@H](CC(=O)OC(C)(C)C)Oc1n[nH]c2c1CC[N@H+](Cc1ccccc1)C2 ZINC001226704829 1032083422 /nfs/dbraw/zinc/08/34/22/1032083422.db2.gz OJKVTAGISIDEEO-KRWDZBQOSA-N 1 2 383.492 3.633 20 30 GHEDLO C=C[C@@H](CC(=O)OC(C)(C)C)Oc1n[nH]c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001226704829 1032083435 /nfs/dbraw/zinc/08/34/35/1032083435.db2.gz OJKVTAGISIDEEO-KRWDZBQOSA-N 1 2 383.492 3.633 20 30 GHEDLO C=CCOc1ccc(C[NH2+]Cc2csc(CNC(=O)c3ccccc3)n2)cc1 ZINC000530932612 1014544424 /nfs/dbraw/zinc/54/44/24/1014544424.db2.gz HRIFQVKLSPTPDR-UHFFFAOYSA-N 1 2 393.512 3.928 20 30 GHEDLO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1cccc(C(=O)[O-])c1C#N ZINC001594542747 986189824 /nfs/dbraw/zinc/18/98/24/986189824.db2.gz TXOOWEMFYWBRKB-IAGOWNOFSA-N 1 2 377.488 3.503 20 30 GHEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H]3CC(=O)c3cccs3)o2)c1 ZINC000468288037 1015549955 /nfs/dbraw/zinc/54/99/55/1015549955.db2.gz SERVYVIVZBCFRC-INIZCTEOSA-N 1 2 378.457 3.907 20 30 GHEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@H]3CC(=O)c3cccs3)o2)c1 ZINC000468288037 1015549961 /nfs/dbraw/zinc/54/99/61/1015549961.db2.gz SERVYVIVZBCFRC-INIZCTEOSA-N 1 2 378.457 3.907 20 30 GHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000545171807 1015611734 /nfs/dbraw/zinc/61/17/34/1015611734.db2.gz ANFNNOLKAFYPAZ-IBGZPJMESA-N 1 2 390.325 3.593 20 30 GHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000545171807 1015611738 /nfs/dbraw/zinc/61/17/38/1015611738.db2.gz ANFNNOLKAFYPAZ-IBGZPJMESA-N 1 2 390.325 3.593 20 30 GHEDLO CCCCOc1ccccc1C[N@@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000468402386 1015670807 /nfs/dbraw/zinc/67/08/07/1015670807.db2.gz PGZWJPXOUXYUIP-JPYJTQIMSA-N 1 2 375.472 3.711 20 30 GHEDLO CCCCOc1ccccc1C[N@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000468402386 1015670814 /nfs/dbraw/zinc/67/08/14/1015670814.db2.gz PGZWJPXOUXYUIP-JPYJTQIMSA-N 1 2 375.472 3.711 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[NH+](Cc2cccc(Nc3cc(C#N)ccn3)c2)CC1 ZINC001204315487 1032758971 /nfs/dbraw/zinc/75/89/71/1032758971.db2.gz AIANZSWKMFNHHH-UHFFFAOYSA-N 1 2 393.491 3.750 20 30 GHEDLO C=CCCn1cc(C[NH+]2CCC(c3nc(-c4ccncc4)cs3)CC2)nn1 ZINC000932558416 1018455991 /nfs/dbraw/zinc/45/59/91/1018455991.db2.gz UJJJGCQKCWNVSL-UHFFFAOYSA-N 1 2 380.521 3.752 20 30 GHEDLO FC1(F)[C@H]2C[N@H+](Cc3cn4ccccc4n3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932944347 1018773909 /nfs/dbraw/zinc/77/39/09/1018773909.db2.gz UJKHCHGCEGAKPQ-PHIMTYICSA-N 1 2 399.285 3.937 20 30 GHEDLO FC1(F)[C@H]2C[N@@H+](Cc3cn4ccccc4n3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932944347 1018773915 /nfs/dbraw/zinc/77/39/15/1018773915.db2.gz UJKHCHGCEGAKPQ-PHIMTYICSA-N 1 2 399.285 3.937 20 30 GHEDLO COc1cc(C[NH+]2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)sn1 ZINC000932945164 1018776612 /nfs/dbraw/zinc/77/66/12/1018776612.db2.gz RXDJLAPONJEPIP-YUMQZZPRSA-N 1 2 396.303 3.755 20 30 GHEDLO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+]Cc3ccc(C#N)cc3C(F)(F)F)n2)c1 ZINC000565864853 1019206765 /nfs/dbraw/zinc/20/67/65/1019206765.db2.gz DGMJMIUSTMHSNM-GFCCVEGCSA-N 1 2 386.381 3.916 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@@H+]2C[C@]3(CCOC3)OC(C)(C)C2)cc1OC ZINC000628255932 1020684272 /nfs/dbraw/zinc/68/42/72/1020684272.db2.gz CAKOXXPVUUXVPE-FQEVSTJZSA-N 1 2 381.900 3.683 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@H+]2C[C@]3(CCOC3)OC(C)(C)C2)cc1OC ZINC000628255932 1020684282 /nfs/dbraw/zinc/68/42/82/1020684282.db2.gz CAKOXXPVUUXVPE-FQEVSTJZSA-N 1 2 381.900 3.683 20 30 GHEDLO C=CCc1cc(OC)c(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(OC)c1 ZINC001228427282 1032930760 /nfs/dbraw/zinc/93/07/60/1032930760.db2.gz GMFNMMVZNCKTJS-FQEVSTJZSA-N 1 2 383.488 3.712 20 30 GHEDLO C=CCc1cc(OC)c(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(OC)c1 ZINC001228427282 1032930761 /nfs/dbraw/zinc/93/07/61/1032930761.db2.gz GMFNMMVZNCKTJS-FQEVSTJZSA-N 1 2 383.488 3.712 20 30 GHEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(Br)cc1F)C2 ZINC001204554459 1032967783 /nfs/dbraw/zinc/96/77/83/1032967783.db2.gz PIZOBYXJIWROFG-SJLPKXTDSA-N 1 2 384.289 3.914 20 30 GHEDLO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(Br)cc1F)C2 ZINC001204554459 1032967788 /nfs/dbraw/zinc/96/77/88/1032967788.db2.gz PIZOBYXJIWROFG-SJLPKXTDSA-N 1 2 384.289 3.914 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2cc(Br)cnc2F)C1 ZINC001228547595 1032981370 /nfs/dbraw/zinc/98/13/70/1032981370.db2.gz JNMWBSDTTGZONK-OAHLLOKOSA-N 1 2 376.229 3.508 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2cc(Br)cnc2F)C1 ZINC001228547595 1032981372 /nfs/dbraw/zinc/98/13/72/1032981372.db2.gz JNMWBSDTTGZONK-OAHLLOKOSA-N 1 2 376.229 3.508 20 30 GHEDLO C=CCc1ccc(OCC(=O)OCc2ccc(-n3cc[nH+]c3)cc2)c(OC)c1 ZINC000754493836 1022738934 /nfs/dbraw/zinc/73/89/34/1022738934.db2.gz VHGNDDLLZISXAM-UHFFFAOYSA-N 1 2 378.428 3.732 20 30 GHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c1=S ZINC000756870778 1023842821 /nfs/dbraw/zinc/84/28/21/1023842821.db2.gz BKNTUODCFBBVDN-MOPGFXCFSA-N 1 2 384.549 3.649 20 30 GHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c1=S ZINC000756870778 1023842830 /nfs/dbraw/zinc/84/28/30/1023842830.db2.gz BKNTUODCFBBVDN-MOPGFXCFSA-N 1 2 384.549 3.649 20 30 GHEDLO C#CC[C@H](NC(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1)c1ccccc1 ZINC000757062988 1023924641 /nfs/dbraw/zinc/92/46/41/1023924641.db2.gz WEYJBHMZRQSKAE-QFIPXVFZSA-N 1 2 391.515 3.595 20 30 GHEDLO N#Cc1ccc(Oc2ccc(C[NH+]3CCN(C(=O)c4cccnc4)CC3)cc2)cc1 ZINC001141295977 1024433379 /nfs/dbraw/zinc/43/33/79/1024433379.db2.gz QCYDPZDMFGJXHU-UHFFFAOYSA-N 1 2 398.466 3.704 20 30 GHEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831539515 1024630732 /nfs/dbraw/zinc/63/07/32/1024630732.db2.gz STSZQMQTEDIWKB-QUCCMNQESA-N 1 2 379.416 3.560 20 30 GHEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831539515 1024630740 /nfs/dbraw/zinc/63/07/40/1024630740.db2.gz STSZQMQTEDIWKB-QUCCMNQESA-N 1 2 379.416 3.560 20 30 GHEDLO C=C(C)COc1ccccc1C[N@@H+]1CCO[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC001138662748 1025182304 /nfs/dbraw/zinc/18/23/04/1025182304.db2.gz BPJPWCPUHOGWHD-IBGZPJMESA-N 1 2 390.524 3.757 20 30 GHEDLO C=C(C)COc1ccccc1C[N@H+]1CCO[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC001138662748 1025182313 /nfs/dbraw/zinc/18/23/13/1025182313.db2.gz BPJPWCPUHOGWHD-IBGZPJMESA-N 1 2 390.524 3.757 20 30 GHEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1cc(Cl)cc(OC)c1OC)CCO2 ZINC001138745726 1025285769 /nfs/dbraw/zinc/28/57/69/1025285769.db2.gz VZHCXNCJGMZLQE-DYESRHJHSA-N 1 2 395.927 3.931 20 30 GHEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1cc(Cl)cc(OC)c1OC)CCO2 ZINC001138745726 1025285778 /nfs/dbraw/zinc/28/57/78/1025285778.db2.gz VZHCXNCJGMZLQE-DYESRHJHSA-N 1 2 395.927 3.931 20 30 GHEDLO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1c(Br)cccc1C#N ZINC001162592204 1025814058 /nfs/dbraw/zinc/81/40/58/1025814058.db2.gz YHPIOHLPOYBQEE-INIZCTEOSA-N 1 2 399.336 3.943 20 30 GHEDLO N#Cc1ccc2cc[nH+]c(N3CCN(c4ncccc4C(F)(F)F)CC3)c2c1 ZINC001163641585 1026263023 /nfs/dbraw/zinc/26/30/23/1026263023.db2.gz WTVRJEZPWVUINL-UHFFFAOYSA-N 1 2 383.377 3.847 20 30 GHEDLO CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[N@H+]2Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139402432 1026273273 /nfs/dbraw/zinc/27/32/73/1026273273.db2.gz RFQBSXMQNQSEOP-BGYRXZFFSA-N 1 2 390.487 3.814 20 30 GHEDLO CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139402432 1026273282 /nfs/dbraw/zinc/27/32/82/1026273282.db2.gz RFQBSXMQNQSEOP-BGYRXZFFSA-N 1 2 390.487 3.814 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)[C@@H]2C[C@@H]21 ZINC001139402774 1026274801 /nfs/dbraw/zinc/27/48/01/1026274801.db2.gz XAQYKVFCLJLDCL-RTWAWAEBSA-N 1 2 390.487 3.814 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)[C@@H]2C[C@@H]21 ZINC001139402774 1026274813 /nfs/dbraw/zinc/27/48/13/1026274813.db2.gz XAQYKVFCLJLDCL-RTWAWAEBSA-N 1 2 390.487 3.814 20 30 GHEDLO COC(=O)[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139405058 1026277806 /nfs/dbraw/zinc/27/78/06/1026277806.db2.gz HHXAOQJLVRPFRB-QHCPKHFHSA-N 1 2 385.467 3.836 20 30 GHEDLO COC(=O)[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139405058 1026277817 /nfs/dbraw/zinc/27/78/17/1026277817.db2.gz HHXAOQJLVRPFRB-QHCPKHFHSA-N 1 2 385.467 3.836 20 30 GHEDLO COc1ccc(CCNc2cc(/C=N/[S@](=O)C(C)(C)C)cc(C)[nH+]2)cc1O ZINC001163727129 1026296732 /nfs/dbraw/zinc/29/67/32/1026296732.db2.gz BLGNAVOEABUAPE-DLABQZEESA-N 1 2 389.521 3.640 20 30 GHEDLO O=C1CSCN1c1ccc([NH+]=C(NO)c2ccc(OC(F)(F)F)cc2)cc1 ZINC001163769273 1026310985 /nfs/dbraw/zinc/31/09/85/1026310985.db2.gz UNTXAMSPXPWPFH-UHFFFAOYSA-N 1 2 397.378 3.680 20 30 GHEDLO N#Cc1c(Cl)cccc1CN1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001139689448 1026540898 /nfs/dbraw/zinc/54/08/98/1026540898.db2.gz ZWCYTOFQGXLTMW-INIZCTEOSA-N 1 2 393.878 3.514 20 30 GHEDLO N#Cc1c(Cl)cccc1C[NH+]1CCC2(CC1)NC(=O)C[C@H]2c1ccccc1 ZINC001139689824 1026542115 /nfs/dbraw/zinc/54/21/15/1026542115.db2.gz VFUXXWXQJCGDMS-IBGZPJMESA-N 1 2 379.891 3.850 20 30 GHEDLO Cc1nc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3Cc2ccc(C)c(C#N)c2)cs1 ZINC001139725335 1026569145 /nfs/dbraw/zinc/56/91/45/1026569145.db2.gz LQDDFZXERQSJCA-PWRODBHTSA-N 1 2 383.517 3.580 20 30 GHEDLO Cc1nc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3Cc2ccc(C)c(C#N)c2)cs1 ZINC001139725335 1026569159 /nfs/dbraw/zinc/56/91/59/1026569159.db2.gz LQDDFZXERQSJCA-PWRODBHTSA-N 1 2 383.517 3.580 20 30 GHEDLO N#Cc1c(Cl)cc(Cl)nc1N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001165692006 1026798107 /nfs/dbraw/zinc/79/81/07/1026798107.db2.gz JGUFEFVSFNUIFS-CYBMUJFWSA-N 1 2 392.290 3.520 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1cn3cccc(C)c3n1)CC2 ZINC001209734596 1027127640 /nfs/dbraw/zinc/12/76/40/1027127640.db2.gz AQRMBNIEVIIKLY-UHFFFAOYSA-N 1 2 391.519 3.510 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1cn3cccc(C)c3n1)CC2 ZINC001209734596 1027127650 /nfs/dbraw/zinc/12/76/50/1027127650.db2.gz AQRMBNIEVIIKLY-UHFFFAOYSA-N 1 2 391.519 3.510 20 30 GHEDLO C=CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001166990401 1027181387 /nfs/dbraw/zinc/18/13/87/1027181387.db2.gz KCZBPOXTRKGXCA-GFCCVEGCSA-N 1 2 396.862 3.630 20 30 GHEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(Cl)cc1C(F)(F)F ZINC001276409869 1027307784 /nfs/dbraw/zinc/30/77/84/1027307784.db2.gz UKQSHFAFFJQVOQ-SFHVURJKSA-N 1 2 384.829 3.949 20 30 GHEDLO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(Cl)cc1C(F)(F)F ZINC001276409869 1027307796 /nfs/dbraw/zinc/30/77/96/1027307796.db2.gz UKQSHFAFFJQVOQ-SFHVURJKSA-N 1 2 384.829 3.949 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[NH+](Cc2ccccc2Nc2cncc(C#N)c2)CC1 ZINC001210089951 1027337758 /nfs/dbraw/zinc/33/77/58/1027337758.db2.gz ZLSGBZPMKDDBLO-UHFFFAOYSA-N 1 2 393.491 3.750 20 30 GHEDLO CC(C)C(=O)N1CCC[C@]12CC[N@H+](Cc1cc(Br)ccc1C#N)C2 ZINC001141901201 1027622842 /nfs/dbraw/zinc/62/28/42/1027622842.db2.gz RHFYLRPZFMFUND-LJQANCHMSA-N 1 2 390.325 3.544 20 30 GHEDLO CC(C)C(=O)N1CCC[C@]12CC[N@@H+](Cc1cc(Br)ccc1C#N)C2 ZINC001141901201 1027622848 /nfs/dbraw/zinc/62/28/48/1027622848.db2.gz RHFYLRPZFMFUND-LJQANCHMSA-N 1 2 390.325 3.544 20 30 GHEDLO CSc1nc(C[N@@H+]2CC[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)ccc1C#N ZINC001141931994 1027692087 /nfs/dbraw/zinc/69/20/87/1027692087.db2.gz PZXGDVCNADONFV-RHSMWYFYSA-N 1 2 388.537 3.506 20 30 GHEDLO CSc1nc(C[N@H+]2CC[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)ccc1C#N ZINC001141931994 1027692098 /nfs/dbraw/zinc/69/20/98/1027692098.db2.gz PZXGDVCNADONFV-RHSMWYFYSA-N 1 2 388.537 3.506 20 30 GHEDLO N#Cc1oc2ccccc2c1Nc1ccc(OCC[NH+]2CCOCC2)cc1F ZINC001213480289 1028211930 /nfs/dbraw/zinc/21/19/30/1028211930.db2.gz JGUZCVJNRZYOMY-UHFFFAOYSA-N 1 2 381.407 3.898 20 30 GHEDLO N#Cc1nc2ccc(Nc3ccc(OCC[NH+]4CCOCC4)cc3F)cc2s1 ZINC001213484775 1028217104 /nfs/dbraw/zinc/21/71/04/1028217104.db2.gz AEZBAQYKWGMMBX-UHFFFAOYSA-N 1 2 398.463 3.762 20 30 GHEDLO N#Cc1cccc(Cl)c1Nc1ccc(OCC[NH+]2CCOCC2)cc1F ZINC001213484973 1028218553 /nfs/dbraw/zinc/21/85/53/1028218553.db2.gz LTSCCEDKHDTCIN-UHFFFAOYSA-N 1 2 375.831 3.805 20 30 GHEDLO C=CCOc1ccc(-c2noc(-c3cccc(C[NH+]4CCOCC4)c3)n2)c(F)c1 ZINC001216441109 1029639460 /nfs/dbraw/zinc/63/94/60/1029639460.db2.gz MXYWWEGOEBAJNW-UHFFFAOYSA-N 1 2 395.434 3.940 20 30 GHEDLO CC(C)COC[C@@H]1C[N@H+](Cc2c[nH]c3cc(C#N)ccc23)Cc2ncn(C)c21 ZINC001142916175 1029688805 /nfs/dbraw/zinc/68/88/05/1029688805.db2.gz ORKXFASNBSVSCG-SFHVURJKSA-N 1 2 377.492 3.545 20 30 GHEDLO CC(C)COC[C@@H]1C[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)Cc2ncn(C)c21 ZINC001142916175 1029688807 /nfs/dbraw/zinc/68/88/07/1029688807.db2.gz ORKXFASNBSVSCG-SFHVURJKSA-N 1 2 377.492 3.545 20 30 GHEDLO N#Cc1ccc(F)c(C[NH+]2CCC(N3C(=O)OC[C@H]3c3ccccc3)CC2)c1F ZINC001143165049 1029876995 /nfs/dbraw/zinc/87/69/95/1029876995.db2.gz SWJBKECDODFDJX-FQEVSTJZSA-N 1 2 397.425 3.994 20 30 GHEDLO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@]3(C[C@H](OCc4cccnc4)CO3)C2)c1F ZINC001143166082 1029878315 /nfs/dbraw/zinc/87/83/15/1029878315.db2.gz DURVIYLIDCJNCB-PGRDOPGGSA-N 1 2 399.441 3.572 20 30 GHEDLO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@]3(C[C@H](OCc4cccnc4)CO3)C2)c1F ZINC001143166082 1029878323 /nfs/dbraw/zinc/87/83/23/1029878323.db2.gz DURVIYLIDCJNCB-PGRDOPGGSA-N 1 2 399.441 3.572 20 30 GHEDLO Cc1ccc(N2C[C@@]3(CC[N@H+](Cc4c(F)ccc(C#N)c4F)C3)CC2=O)s1 ZINC001143170817 1029880687 /nfs/dbraw/zinc/88/06/87/1029880687.db2.gz KFAZPFJDUJBTNP-FQEVSTJZSA-N 1 2 387.455 3.835 20 30 GHEDLO Cc1ccc(N2C[C@@]3(CC[N@@H+](Cc4c(F)ccc(C#N)c4F)C3)CC2=O)s1 ZINC001143170817 1029880692 /nfs/dbraw/zinc/88/06/92/1029880692.db2.gz KFAZPFJDUJBTNP-FQEVSTJZSA-N 1 2 387.455 3.835 20 30 GHEDLO C=CCc1ccc(O[C@H]2C[NH2+][C@H](C(=O)OC)C2)c(-c2ccc(O)c(CC=C)c2)c1 ZINC001218173431 1030807089 /nfs/dbraw/zinc/80/70/89/1030807089.db2.gz YPYDIKUMKCGONB-CTNGQTDRSA-N 1 2 393.483 3.799 20 30 GHEDLO C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(F)cc(Br)c1F)CC2 ZINC001277028278 1031323465 /nfs/dbraw/zinc/32/34/65/1031323465.db2.gz JYXCTXDXFBLEIZ-AWEZNQCLSA-N 1 2 399.279 3.632 20 30 GHEDLO N#Cc1ccc(OC2CCN(C(=O)c3c[nH]c4cc[nH+]cc43)CC2)cc1Cl ZINC001152976815 1031415709 /nfs/dbraw/zinc/41/57/09/1031415709.db2.gz CTLQDXYUJCICMU-UHFFFAOYSA-N 1 2 380.835 3.772 20 30 GHEDLO N#Cc1ccc(Br)cc1OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001225786959 1031604649 /nfs/dbraw/zinc/60/46/49/1031604649.db2.gz WOVQGXXTQPYPON-SFHVURJKSA-N 1 2 387.277 3.601 20 30 GHEDLO N#Cc1ccc(Br)cc1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001225786959 1031604662 /nfs/dbraw/zinc/60/46/62/1031604662.db2.gz WOVQGXXTQPYPON-SFHVURJKSA-N 1 2 387.277 3.601 20 30 GHEDLO N#Cc1cc(C[NH+]2CCN(c3cccc(OC(F)(F)F)c3)CC2)ccc1F ZINC001205502427 1033443650 /nfs/dbraw/zinc/44/36/50/1033443650.db2.gz VSQLPZVXNYTFTA-UHFFFAOYSA-N 1 2 379.357 3.918 20 30 GHEDLO CN(C)Cc1nc(CSCCNc2[nH+]ccc3ccc(C#N)cc32)cs1 ZINC001157336563 1033541919 /nfs/dbraw/zinc/54/19/19/1033541919.db2.gz MXBBOKZTAUNHLP-UHFFFAOYSA-N 1 2 383.546 3.970 20 30 GHEDLO COc1ccc(C[NH+]2CCOCC2)cc1-c1cc(C#C[Si](C)(C)C)ccn1 ZINC001206503176 1033878062 /nfs/dbraw/zinc/87/80/62/1033878062.db2.gz QQXOGABXSYFYIY-UHFFFAOYSA-N 1 2 380.564 3.818 20 30 GHEDLO C#Cc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2Cl)[NH+](CC)CC)cc1 ZINC001208031832 1034711381 /nfs/dbraw/zinc/71/13/81/1034711381.db2.gz MISDKBFLECYTFJ-FQEVSTJZSA-N 1 2 390.936 3.683 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](N3Cc4c(cccc4F)C3=O)C2)cc1Cl ZINC001232119304 1035106678 /nfs/dbraw/zinc/10/66/78/1035106678.db2.gz VGIZQOVYWZCGHE-MRXNPFEDSA-N 1 2 383.854 3.971 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](N3Cc4c(cccc4F)C3=O)C2)cc1Cl ZINC001232119304 1035106682 /nfs/dbraw/zinc/10/66/82/1035106682.db2.gz VGIZQOVYWZCGHE-MRXNPFEDSA-N 1 2 383.854 3.971 20 30 GHEDLO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1c(F)cncc1Br)C2 ZINC001232127542 1035111228 /nfs/dbraw/zinc/11/12/28/1035111228.db2.gz RKFJNKTWDRXANP-QZTJIDSGSA-N 1 2 399.304 3.557 20 30 GHEDLO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1c(F)cncc1Br)C2 ZINC001232127542 1035111232 /nfs/dbraw/zinc/11/12/32/1035111232.db2.gz RKFJNKTWDRXANP-QZTJIDSGSA-N 1 2 399.304 3.557 20 30 GHEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1c(C)cccc1Br)CC2 ZINC001248608210 1035986952 /nfs/dbraw/zinc/98/69/52/1035986952.db2.gz HXTKTJVTDZMAKY-UHFFFAOYSA-N 1 2 390.325 3.752 20 30 GHEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1c(C)cccc1Br)CC2 ZINC001248608210 1035986960 /nfs/dbraw/zinc/98/69/60/1035986960.db2.gz HXTKTJVTDZMAKY-UHFFFAOYSA-N 1 2 390.325 3.752 20 30 GHEDLO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](Cc2cc(F)c(F)cc2O)CC1 ZINC001462174346 1070053003 /nfs/dbraw/zinc/05/30/03/1070053003.db2.gz FDCSNHUUAFBGLU-GOSISDBHSA-N 1 2 377.822 3.706 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3ncoc3[C@@H]3CCCO3)n2)C1 ZINC000329462022 1039103698 /nfs/dbraw/zinc/10/36/98/1039103698.db2.gz PYCGQSAACDPONA-OCCSQVGLSA-N 1 2 376.482 3.851 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ncoc3[C@@H]3CCCO3)n2)C1 ZINC000329462022 1039103707 /nfs/dbraw/zinc/10/37/07/1039103707.db2.gz PYCGQSAACDPONA-OCCSQVGLSA-N 1 2 376.482 3.851 20 30 GHEDLO COc1cc(/C=N/O)ccc1O[C@@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC001233803898 1039628854 /nfs/dbraw/zinc/62/88/54/1039628854.db2.gz UVRCUZGXVADGHE-GNZXAGPDSA-N 1 2 381.885 3.657 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2cc3n[nH]cc3cc2Br)C1 ZINC001234567761 1040134873 /nfs/dbraw/zinc/13/48/73/1040134873.db2.gz FOYWTXYYHOSBAG-INIZCTEOSA-N 1 2 397.276 3.850 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2cc3n[nH]cc3cc2Br)C1 ZINC001234567761 1040134879 /nfs/dbraw/zinc/13/48/79/1040134879.db2.gz FOYWTXYYHOSBAG-INIZCTEOSA-N 1 2 397.276 3.850 20 30 GHEDLO CC(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(C#N)c(Br)c2)C1=O ZINC001277867217 1040148659 /nfs/dbraw/zinc/14/86/59/1040148659.db2.gz VTTPIVOEUXTTDK-IBGZPJMESA-N 1 2 390.325 3.544 20 30 GHEDLO CC(C)CN1CC[C@@]2(CCC[N@H+]2Cc2ccc(C#N)c(Br)c2)C1=O ZINC001277867217 1040148670 /nfs/dbraw/zinc/14/86/70/1040148670.db2.gz VTTPIVOEUXTTDK-IBGZPJMESA-N 1 2 390.325 3.544 20 30 GHEDLO CC(C)CN1CC[C@]2(CCC[N@@H+]2Cc2ccc(C#N)c(Br)c2)C1=O ZINC001277867219 1040148879 /nfs/dbraw/zinc/14/88/79/1040148879.db2.gz VTTPIVOEUXTTDK-LJQANCHMSA-N 1 2 390.325 3.544 20 30 GHEDLO CC(C)CN1CC[C@]2(CCC[N@H+]2Cc2ccc(C#N)c(Br)c2)C1=O ZINC001277867219 1040148881 /nfs/dbraw/zinc/14/88/81/1040148881.db2.gz VTTPIVOEUXTTDK-LJQANCHMSA-N 1 2 390.325 3.544 20 30 GHEDLO COCc1cnc2n1CC[N@H+](C1CCC(C#N)(c3ccc(F)cc3)CC1)[C@H]2C ZINC001254354656 1040186534 /nfs/dbraw/zinc/18/65/34/1040186534.db2.gz KEBIDINQDNTMNY-XQQGARBVSA-N 1 2 382.483 3.949 20 30 GHEDLO COCc1cnc2n1CC[N@@H+](C1CCC(C#N)(c3ccc(F)cc3)CC1)[C@H]2C ZINC001254354656 1040186542 /nfs/dbraw/zinc/18/65/42/1040186542.db2.gz KEBIDINQDNTMNY-XQQGARBVSA-N 1 2 382.483 3.949 20 30 GHEDLO C=CCO[C@H]1CC[N@@H+](CC(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccco2)C1 ZINC001254556957 1040328059 /nfs/dbraw/zinc/32/80/59/1040328059.db2.gz NOCOFOQROMGJEL-PZJWPPBQSA-N 1 2 393.487 3.543 20 30 GHEDLO C=CCO[C@H]1CC[N@H+](CC(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccco2)C1 ZINC001254556957 1040328072 /nfs/dbraw/zinc/32/80/72/1040328072.db2.gz NOCOFOQROMGJEL-PZJWPPBQSA-N 1 2 393.487 3.543 20 30 GHEDLO COc1nc2ccccc2cc1C[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC001462515379 1070319051 /nfs/dbraw/zinc/31/90/51/1070319051.db2.gz IZIRLIYZYUQSAR-UHFFFAOYSA-N 1 2 376.435 3.576 20 30 GHEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3c(F)cc(C#N)cc3F)CC[C@@H]2C1 ZINC001235650194 1041093748 /nfs/dbraw/zinc/09/37/48/1041093748.db2.gz CMNDQZAOLWRTMO-CABCVRRESA-N 1 2 377.435 3.525 20 30 GHEDLO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3c(F)cc(C#N)cc3F)CC[C@@H]2C1 ZINC001235650194 1041093768 /nfs/dbraw/zinc/09/37/68/1041093768.db2.gz CMNDQZAOLWRTMO-CABCVRRESA-N 1 2 377.435 3.525 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[N@H+](Cc1c(F)cc(C#N)cc1F)C2 ZINC001235653987 1041098106 /nfs/dbraw/zinc/09/81/06/1041098106.db2.gz MDTVXKVPPBBCDU-JLTOFOAXSA-N 1 2 377.435 3.716 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1C[N@@H+](Cc1c(F)cc(C#N)cc1F)C2 ZINC001235653987 1041098133 /nfs/dbraw/zinc/09/81/33/1041098133.db2.gz MDTVXKVPPBBCDU-JLTOFOAXSA-N 1 2 377.435 3.716 20 30 GHEDLO CN1C(=O)[C@@H](c2ccccc2)CC12CC[NH+](Cc1c(F)cc(C#N)cc1F)CC2 ZINC001235654790 1041103125 /nfs/dbraw/zinc/10/31/25/1041103125.db2.gz QLHXYKFVIZYSKZ-GOSISDBHSA-N 1 2 395.453 3.817 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(C)c(Br)cn1 ZINC001277982738 1041703589 /nfs/dbraw/zinc/70/35/89/1041703589.db2.gz WNUANYCURHSEPH-LJQANCHMSA-N 1 2 392.341 3.686 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(C)c(Br)cn1 ZINC001277982738 1041703598 /nfs/dbraw/zinc/70/35/98/1041703598.db2.gz WNUANYCURHSEPH-LJQANCHMSA-N 1 2 392.341 3.686 20 30 GHEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2ccccc2NC(=O)OC(C)(C)C)CC1 ZINC001237346256 1042159174 /nfs/dbraw/zinc/15/91/74/1042159174.db2.gz HLHSVKABKCSAIA-UHFFFAOYSA-N 1 2 387.480 3.702 20 30 GHEDLO N#Cc1ccc(NC(=S)Nc2ccc(O[C@H]3CC[NH2+]CC3(F)F)cc2)cc1 ZINC001239352520 1042812541 /nfs/dbraw/zinc/81/25/41/1042812541.db2.gz UYPZGJMSLDIOFR-KRWDZBQOSA-N 1 2 388.443 3.743 20 30 GHEDLO Cc1cccc(COCc2cnc3n2CC[N@H+](C2CCC(C#N)CC2)[C@H]3C)n1 ZINC001256967087 1043776643 /nfs/dbraw/zinc/77/66/43/1043776643.db2.gz UYEZDNZCGJOSGE-ZJRDLVKKSA-N 1 2 379.508 3.762 20 30 GHEDLO Cc1cccc(COCc2cnc3n2CC[N@@H+](C2CCC(C#N)CC2)[C@H]3C)n1 ZINC001256967087 1043776657 /nfs/dbraw/zinc/77/66/57/1043776657.db2.gz UYEZDNZCGJOSGE-ZJRDLVKKSA-N 1 2 379.508 3.762 20 30 GHEDLO Cc1cc(Oc2ccc(NS(=O)(=O)c3ccc(F)c(C#N)c3)cc2)cc[nH+]1 ZINC001259418885 1045138231 /nfs/dbraw/zinc/13/82/31/1045138231.db2.gz WIVULNAQFIQEAO-UHFFFAOYSA-N 1 2 383.404 3.994 20 30 GHEDLO Cc1ccc([C@@H]2C[C@H](C)N(c3nnc(C4CC[NH+](CCC#N)CC4)n3C)C2)cc1 ZINC001262873425 1046394537 /nfs/dbraw/zinc/39/45/37/1046394537.db2.gz HSJGRIPVZHJGKP-GHTZIAJQSA-N 1 2 392.551 3.599 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC001262977810 1046462172 /nfs/dbraw/zinc/46/21/72/1046462172.db2.gz OPJVFPBEMOMOTE-TYPHKJRUSA-N 1 2 395.551 3.662 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC001262977810 1046462174 /nfs/dbraw/zinc/46/21/74/1046462174.db2.gz OPJVFPBEMOMOTE-TYPHKJRUSA-N 1 2 395.551 3.662 20 30 GHEDLO C#C[C@@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1Cc1c[nH+]ccc1OC ZINC001286274390 1048246809 /nfs/dbraw/zinc/24/68/09/1048246809.db2.gz MEGGPFRPWDVDDR-CQSZACIVSA-N 1 2 381.867 3.508 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2Cc2c(C)cc(C)cc2C)CC1 ZINC001286471286 1048335649 /nfs/dbraw/zinc/33/56/49/1048335649.db2.gz IPRCLPAGEONJBB-GOSISDBHSA-N 1 2 379.552 3.520 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2C[C@H](c2ccccc2)C2CC2)CC1 ZINC001286471230 1048336172 /nfs/dbraw/zinc/33/61/72/1048336172.db2.gz HTLFBSMMIKREIH-SIKLNZKXSA-N 1 2 391.563 3.741 20 30 GHEDLO Cc1c(Cl)cnc(N2CC[NH+](CCOc3ccccc3Cl)CC2)c1C#N ZINC001306922176 1048960786 /nfs/dbraw/zinc/96/07/86/1048960786.db2.gz HABYAEGTQVNGQZ-UHFFFAOYSA-N 1 2 391.302 3.770 20 30 GHEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2csc(C#N)c2)cc1 ZINC001327931128 1050328518 /nfs/dbraw/zinc/32/85/18/1050328518.db2.gz BBSIKSRJFXRSSK-UHFFFAOYSA-N 1 2 394.500 3.948 20 30 GHEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C2(c3ccc(C#N)cc3)CCCC2)C1 ZINC001328903125 1050670690 /nfs/dbraw/zinc/67/06/90/1050670690.db2.gz IVDHHJHYYMWNLN-IBGZPJMESA-N 1 2 376.504 3.585 20 30 GHEDLO N#Cc1ccc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)nc1 ZINC001311056967 1051811927 /nfs/dbraw/zinc/81/19/27/1051811927.db2.gz QKMKVVVUOOQXKL-MRXNPFEDSA-N 1 2 387.846 3.532 20 30 GHEDLO N#Cc1ccc(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)nc1 ZINC001311056967 1051811928 /nfs/dbraw/zinc/81/19/28/1051811928.db2.gz QKMKVVVUOOQXKL-MRXNPFEDSA-N 1 2 387.846 3.532 20 30 GHEDLO Cc1cc(CNc2ccc(N3CCC(O)CC3)c(C#N)c2)c2c([nH+]1)CCCC2 ZINC001336698121 1052308407 /nfs/dbraw/zinc/30/84/07/1052308407.db2.gz OYVGUVHWNACDDU-UHFFFAOYSA-N 1 2 376.504 3.714 20 30 GHEDLO C#C[C@H]1CC[C@H](NC(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC001313235844 1052992462 /nfs/dbraw/zinc/99/24/62/1052992462.db2.gz GBLLRUXNROXXGH-RUCARUNLSA-N 1 2 393.453 3.725 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCC(OCc2ccccc2)CC1 ZINC001342673874 1053291751 /nfs/dbraw/zinc/29/17/51/1053291751.db2.gz MHFUXVUCRDQGMS-OAQYLSRUSA-N 1 2 395.551 3.807 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCC(OCc2ccccc2)CC1 ZINC001342673874 1053291756 /nfs/dbraw/zinc/29/17/56/1053291756.db2.gz MHFUXVUCRDQGMS-OAQYLSRUSA-N 1 2 395.551 3.807 20 30 GHEDLO CN(CC1CC1)c1nnc(-c2cccc(C#N)c2)n1CCCNc1cccc[nH+]1 ZINC001314787498 1053611652 /nfs/dbraw/zinc/61/16/52/1053611652.db2.gz LPQDLEKQJZAAII-UHFFFAOYSA-N 1 2 387.491 3.560 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@]2(C1)OCc1ccccc12 ZINC001343768995 1054012131 /nfs/dbraw/zinc/01/21/31/1054012131.db2.gz TXFBFKICXRFXMB-NZQKXSOJSA-N 1 2 393.535 3.647 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@]2(C1)OCc1ccccc12 ZINC001343768995 1054012137 /nfs/dbraw/zinc/01/21/37/1054012137.db2.gz TXFBFKICXRFXMB-NZQKXSOJSA-N 1 2 393.535 3.647 20 30 GHEDLO CCOCCCn1c([C@H]2CCC[N@@H+]2C)nnc1N(C)[C@H](C)c1cccc(C#N)c1 ZINC001344455363 1054483142 /nfs/dbraw/zinc/48/31/42/1054483142.db2.gz IRIDHWUXCQDREN-YLJYHZDGSA-N 1 2 396.539 3.540 20 30 GHEDLO CCOCCCn1c([C@H]2CCC[N@H+]2C)nnc1N(C)[C@H](C)c1cccc(C#N)c1 ZINC001344455363 1054483147 /nfs/dbraw/zinc/48/31/47/1054483147.db2.gz IRIDHWUXCQDREN-YLJYHZDGSA-N 1 2 396.539 3.540 20 30 GHEDLO C=CCO[C@H]1CC[N@@H+](CC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)C1 ZINC001320155662 1055678885 /nfs/dbraw/zinc/67/88/85/1055678885.db2.gz AZHHISWZGAXRGI-KRWDZBQOSA-N 1 2 385.533 3.951 20 30 GHEDLO C=CCO[C@H]1CC[N@H+](CC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)C1 ZINC001320155662 1055678890 /nfs/dbraw/zinc/67/88/90/1055678890.db2.gz AZHHISWZGAXRGI-KRWDZBQOSA-N 1 2 385.533 3.951 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C[NH+]2CCC(n3cc(Cl)cn3)CC2)c1C#N ZINC001320196352 1055701764 /nfs/dbraw/zinc/70/17/64/1055701764.db2.gz YINNUHFMCBIAOR-UHFFFAOYSA-N 1 2 380.883 3.739 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)cc1 ZINC001324047903 1057060758 /nfs/dbraw/zinc/06/07/58/1057060758.db2.gz LCPDIQSINPAPGW-GOSISDBHSA-N 1 2 389.499 3.883 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)cc1 ZINC001324047903 1057060762 /nfs/dbraw/zinc/06/07/62/1057060762.db2.gz LCPDIQSINPAPGW-GOSISDBHSA-N 1 2 389.499 3.883 20 30 GHEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(Cc2cccc(C(F)F)c2)CC1=O ZINC001324266055 1057100790 /nfs/dbraw/zinc/10/07/90/1057100790.db2.gz OFBBUXXKTQJHQM-UHFFFAOYSA-N 1 2 382.414 3.784 20 30 GHEDLO C=CCO[C@H]1CC[N@@H+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC001325224252 1057292985 /nfs/dbraw/zinc/29/29/85/1057292985.db2.gz WLDOFRCNRHFIAA-GHTZIAJQSA-N 1 2 395.459 3.860 20 30 GHEDLO C=CCO[C@H]1CC[N@H+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC001325224252 1057292988 /nfs/dbraw/zinc/29/29/88/1057292988.db2.gz WLDOFRCNRHFIAA-GHTZIAJQSA-N 1 2 395.459 3.860 20 30 GHEDLO C=CCO[C@@H]1CC[N@@H+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC001325224253 1057293062 /nfs/dbraw/zinc/29/30/62/1057293062.db2.gz WLDOFRCNRHFIAA-NQIIRXRSSA-N 1 2 395.459 3.860 20 30 GHEDLO C=CCO[C@@H]1CC[N@H+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 ZINC001325224253 1057293065 /nfs/dbraw/zinc/29/30/65/1057293065.db2.gz WLDOFRCNRHFIAA-NQIIRXRSSA-N 1 2 395.459 3.860 20 30 GHEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1Cc2ccc(Cl)cc2C1 ZINC001355875337 1057302043 /nfs/dbraw/zinc/30/20/43/1057302043.db2.gz BAZNBVKKDIWOCX-OALUTQOASA-N 1 2 399.926 3.564 20 30 GHEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1Cc2ccc(Cl)cc2C1 ZINC001355875337 1057302050 /nfs/dbraw/zinc/30/20/50/1057302050.db2.gz BAZNBVKKDIWOCX-OALUTQOASA-N 1 2 399.926 3.564 20 30 GHEDLO C=C(C)Cn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N(C)Cc1ccon1 ZINC001356200554 1057426165 /nfs/dbraw/zinc/42/61/65/1057426165.db2.gz UTSIOOXWRRDABH-QGZVFWFLSA-N 1 2 380.496 3.672 20 30 GHEDLO C=C(C)Cn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N(C)Cc1ccon1 ZINC001356200554 1057426167 /nfs/dbraw/zinc/42/61/67/1057426167.db2.gz UTSIOOXWRRDABH-QGZVFWFLSA-N 1 2 380.496 3.672 20 30 GHEDLO C[C@@H](CSc1ccccc1)N(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001338297703 1058501158 /nfs/dbraw/zinc/50/11/58/1058501158.db2.gz KSKAPQWEBGPQPN-KRWDZBQOSA-N 1 2 398.580 3.525 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC001338896184 1058866300 /nfs/dbraw/zinc/86/63/00/1058866300.db2.gz QJSRSRUBCAHTOR-YLJYHZDGSA-N 1 2 397.571 3.851 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC001338896184 1058866324 /nfs/dbraw/zinc/86/63/24/1058866324.db2.gz QJSRSRUBCAHTOR-YLJYHZDGSA-N 1 2 397.571 3.851 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@H](c2cc(C(C)C)n[nH]2)C1 ZINC001338896184 1058866349 /nfs/dbraw/zinc/86/63/49/1058866349.db2.gz QJSRSRUBCAHTOR-YLJYHZDGSA-N 1 2 397.571 3.851 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@H](c2cc(C(C)C)n[nH]2)C1 ZINC001338896184 1058866370 /nfs/dbraw/zinc/86/63/70/1058866370.db2.gz QJSRSRUBCAHTOR-YLJYHZDGSA-N 1 2 397.571 3.851 20 30 GHEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCC[C@H]1c1cccs1 ZINC001339475595 1059240751 /nfs/dbraw/zinc/24/07/51/1059240751.db2.gz NLVOPANKYHWPRK-BZSNNMDCSA-N 1 2 399.564 3.793 20 30 GHEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCC[C@H]1c1cccs1 ZINC001339475595 1059240761 /nfs/dbraw/zinc/24/07/61/1059240761.db2.gz NLVOPANKYHWPRK-BZSNNMDCSA-N 1 2 399.564 3.793 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@@]2(CC=CCC2)C1 ZINC001339502950 1059260609 /nfs/dbraw/zinc/26/06/09/1059260609.db2.gz XERRHVKSTNRDBG-QFIPXVFZSA-N 1 2 382.556 3.718 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCCC[C@@H](COC)C1 ZINC001339773439 1059458170 /nfs/dbraw/zinc/45/81/70/1059458170.db2.gz AOCHEOOUCHMSNJ-PZJWPPBQSA-N 1 2 397.567 3.910 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCCC[C@@H](COC)C1 ZINC001339773439 1059458186 /nfs/dbraw/zinc/45/81/86/1059458186.db2.gz AOCHEOOUCHMSNJ-PZJWPPBQSA-N 1 2 397.567 3.910 20 30 GHEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1Cc2ccccc2[C@@H]1CC ZINC001340195769 1059756748 /nfs/dbraw/zinc/75/67/48/1059756748.db2.gz OTGLXYZGSFZRBF-GIVPXCGWSA-N 1 2 393.535 3.861 20 30 GHEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1Cc2ccccc2[C@@H]1CC ZINC001340195769 1059756769 /nfs/dbraw/zinc/75/67/69/1059756769.db2.gz OTGLXYZGSFZRBF-GIVPXCGWSA-N 1 2 393.535 3.861 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC[C@@H](COCC)C1 ZINC001340491678 1059951247 /nfs/dbraw/zinc/95/12/47/1059951247.db2.gz RJXKFLWEURTXDS-PZJWPPBQSA-N 1 2 397.567 3.910 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC[C@@H](COCC)C1 ZINC001340491678 1059951250 /nfs/dbraw/zinc/95/12/50/1059951250.db2.gz RJXKFLWEURTXDS-PZJWPPBQSA-N 1 2 397.567 3.910 20 30 GHEDLO C=CCC[C@@H]1CCCN1c1nnc(Cc2[nH+]ccn2Cc2ccccc2)n1C ZINC001341246085 1060526971 /nfs/dbraw/zinc/52/69/71/1060526971.db2.gz ABSCCKZFDDVMIJ-LJQANCHMSA-N 1 2 376.508 3.586 20 30 GHEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1Cc2cccc(Cl)c2C1 ZINC001342013275 1060995663 /nfs/dbraw/zinc/99/56/63/1060995663.db2.gz XMEACNWTIOBXTK-QFBILLFUSA-N 1 2 399.926 3.564 20 30 GHEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1Cc2cccc(Cl)c2C1 ZINC001342013275 1060995667 /nfs/dbraw/zinc/99/56/67/1060995667.db2.gz XMEACNWTIOBXTK-QFBILLFUSA-N 1 2 399.926 3.564 20 30 GHEDLO C=CCn1c([C@@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC[C@@H]1c1cccc(F)c1 ZINC001342022072 1061002392 /nfs/dbraw/zinc/00/23/92/1061002392.db2.gz XTEHITUSWIPEOZ-UXHICEINSA-N 1 2 399.514 3.726 20 30 GHEDLO C=CCn1c([C@@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC[C@@H]1c1cccc(F)c1 ZINC001342022072 1061002411 /nfs/dbraw/zinc/00/24/11/1061002411.db2.gz XTEHITUSWIPEOZ-UXHICEINSA-N 1 2 399.514 3.726 20 30 GHEDLO C=CCn1cnn(C[N@H+]2CCC[C@@H](C)[C@H]2CCNC(=O)OC(C)(C)C)c1=S ZINC001346128200 1061385002 /nfs/dbraw/zinc/38/50/02/1061385002.db2.gz PWGJFYZDJUNCFD-HZPDHXFCSA-N 1 2 395.573 3.573 20 30 GHEDLO C=CCn1cnn(C[N@@H+]2CCC[C@@H](C)[C@H]2CCNC(=O)OC(C)(C)C)c1=S ZINC001346128200 1061385019 /nfs/dbraw/zinc/38/50/19/1061385019.db2.gz PWGJFYZDJUNCFD-HZPDHXFCSA-N 1 2 395.573 3.573 20 30 GHEDLO C#Cc1ccc(CNC(=O)[C@H](c2cccc(Br)c2)[NH+]2CCCC2)cc1 ZINC001436381301 1063417387 /nfs/dbraw/zinc/41/73/87/1063417387.db2.gz WCSZRLYBBSCLMU-FQEVSTJZSA-N 1 2 397.316 3.884 20 30 GHEDLO N#Cc1cnc(N2CC[NH+]([C@H](CO)c3ccc(Cl)cc3)CC2)c2sccc21 ZINC001458180595 1063634348 /nfs/dbraw/zinc/63/43/48/1063634348.db2.gz LXDBFIDDXFENLL-GOSISDBHSA-N 1 2 398.919 3.677 20 30 GHEDLO CCn1c2ccc(C#N)cc2nc1NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC001458497578 1063848855 /nfs/dbraw/zinc/84/88/55/1063848855.db2.gz DVKBSIQDHQROHK-GOSISDBHSA-N 1 2 381.867 3.823 20 30 GHEDLO Cc1ccc(C(=O)/C=C\C(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1 ZINC001464386679 1064982073 /nfs/dbraw/zinc/98/20/73/1064982073.db2.gz OCBVVGNIVJNOQY-KHPPLWFESA-N 1 2 375.428 3.648 20 30 GHEDLO CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000847329186 1065067553 /nfs/dbraw/zinc/06/75/53/1065067553.db2.gz CRBUVJFVXUWSCM-QGZVFWFLSA-N 1 2 397.479 3.788 20 30 GHEDLO N#Cc1ccc(Oc2cccc(NC(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)c2)nc1 ZINC001465730270 1065815865 /nfs/dbraw/zinc/81/58/65/1065815865.db2.gz OBAKXPBBYLTHGA-INIZCTEOSA-N 1 2 388.431 3.880 20 30 GHEDLO C/C(=C/C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1)C[NH+]1CCOCC1 ZINC001467348438 1067242724 /nfs/dbraw/zinc/24/27/24/1067242724.db2.gz LHSWGHHWHABWCD-LGMDPLHJSA-N 1 2 377.444 3.568 20 30 GHEDLO C[N@@H+]1CCCC[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CCc1ccccc1 ZINC001358060232 1067383598 /nfs/dbraw/zinc/38/35/98/1067383598.db2.gz DDWALVGTEKBNBB-OAQYLSRUSA-N 1 2 392.551 3.808 20 30 GHEDLO C[N@H+]1CCCC[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CCc1ccccc1 ZINC001358060232 1067383608 /nfs/dbraw/zinc/38/36/08/1067383608.db2.gz DDWALVGTEKBNBB-OAQYLSRUSA-N 1 2 392.551 3.808 20 30 GHEDLO CC(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC(F)(F)C[C@H]1C ZINC001358098179 1067397235 /nfs/dbraw/zinc/39/72/35/1067397235.db2.gz ZLSNRVZICNELHE-MRXNPFEDSA-N 1 2 394.514 3.651 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2Cc2oc3ccccc3c2C)CC1 ZINC001359029290 1067659385 /nfs/dbraw/zinc/65/93/85/1067659385.db2.gz SYMGBDOBPAHDPE-QGZVFWFLSA-N 1 2 391.519 3.650 20 30 GHEDLO C=C1CCN(c2nnc(-c3ccccc3F)n2Cc2c[nH+]ccc2OC)CC1 ZINC001359163084 1067718264 /nfs/dbraw/zinc/71/82/64/1067718264.db2.gz QBWJYDTYPYBNCZ-UHFFFAOYSA-N 1 2 379.439 3.693 20 30 GHEDLO C=CCN(C)c1nnc([C@@H](C)CC)n1C[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC001359231012 1067832563 /nfs/dbraw/zinc/83/25/63/1067832563.db2.gz LQEBYMFOLNZIFJ-PZJWPPBQSA-N 1 2 397.567 3.796 20 30 GHEDLO C=CCN(CCc1ccco1)c1nnc(CC)n1CCc1cn2ccccc2[nH+]1 ZINC001359277533 1067947454 /nfs/dbraw/zinc/94/74/54/1067947454.db2.gz OOUWTJKQVRLXOO-UHFFFAOYSA-N 1 2 390.491 3.559 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OCC#N)C[C@H]1NC(=O)OC(C)(C)C ZINC000769879638 1068401532 /nfs/dbraw/zinc/40/15/32/1068401532.db2.gz DCYWJWLQNLOVSF-CZUORRHYSA-N 1 2 379.888 3.587 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2OCC#N)C[C@H]1NC(=O)OC(C)(C)C ZINC000769879638 1068401539 /nfs/dbraw/zinc/40/15/39/1068401539.db2.gz DCYWJWLQNLOVSF-CZUORRHYSA-N 1 2 379.888 3.587 20 30 GHEDLO C#C[C@@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)c1ccc(Cl)cc1 ZINC001460792511 1069182033 /nfs/dbraw/zinc/18/20/33/1069182033.db2.gz PHCWBYILPXSKQL-UXHICEINSA-N 1 2 384.932 3.921 20 30 GHEDLO CC(C)[C@@H]1CCC[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC001478487439 1078888912 /nfs/dbraw/zinc/88/89/12/1078888912.db2.gz USQSQUXNLLJLIZ-YADHBBJMSA-N 1 2 382.552 3.990 20 30 GHEDLO N#CCc1ccc(Oc2ccc(C(=O)N[C@H]3CCC[N@@H+](CCF)C3)cc2)cc1 ZINC001472588955 1073564271 /nfs/dbraw/zinc/56/42/71/1073564271.db2.gz JRLUTHJEPLUMAH-IBGZPJMESA-N 1 2 381.451 3.709 20 30 GHEDLO N#CCc1ccc(Oc2ccc(C(=O)N[C@H]3CCC[N@H+](CCF)C3)cc2)cc1 ZINC001472588955 1073564277 /nfs/dbraw/zinc/56/42/77/1073564277.db2.gz JRLUTHJEPLUMAH-IBGZPJMESA-N 1 2 381.451 3.709 20 30 GHEDLO Cc1nn(-c2cccc(C)c2)cc1C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC001474365621 1074365366 /nfs/dbraw/zinc/36/53/66/1074365366.db2.gz MHMIWCKOXRIXIB-UHFFFAOYSA-N 1 2 389.478 3.822 20 30 GHEDLO Cn1cc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)c(C2CCCC2)n1 ZINC001474480741 1074425726 /nfs/dbraw/zinc/42/57/26/1074425726.db2.gz KMUZBVCGZNIPEL-UHFFFAOYSA-N 1 2 383.927 3.925 20 30 GHEDLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncccc1C#N)CC2 ZINC001164664462 719346225 /nfs/dbraw/zinc/34/62/25/719346225.db2.gz URLVZUUVSTXHLZ-UHFFFAOYSA-N 1 2 398.514 3.648 20 30 GHEDLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncccc1C#N)CC2 ZINC001164664462 719346227 /nfs/dbraw/zinc/34/62/27/719346227.db2.gz URLVZUUVSTXHLZ-UHFFFAOYSA-N 1 2 398.514 3.648 20 30 GHEDLO CC[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc2c(c1)OCCO2 ZINC000180620650 837403853 /nfs/dbraw/zinc/40/38/53/837403853.db2.gz XZKFWYDZHXDTTO-KRWDZBQOSA-N 1 2 376.416 3.620 20 30 GHEDLO C[N@H+](CCC#N)C[C@H](O)CSc1nc(-c2cccs2)nc2ccccc21 ZINC000414099640 837534653 /nfs/dbraw/zinc/53/46/53/837534653.db2.gz QPADCVXAUJBSAY-AWEZNQCLSA-N 1 2 384.530 3.657 20 30 GHEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1nc(-c2cccs2)nc2ccccc21 ZINC000414099640 837534657 /nfs/dbraw/zinc/53/46/57/837534657.db2.gz QPADCVXAUJBSAY-AWEZNQCLSA-N 1 2 384.530 3.657 20 30 GHEDLO COc1ncc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)cc1Cl ZINC000563904242 834819266 /nfs/dbraw/zinc/81/92/66/834819266.db2.gz FTVAXZDTOFMACZ-UHFFFAOYSA-N 1 2 375.831 3.798 20 30 GHEDLO CN(C)C(=O)Sc1cccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)c1 ZINC000176874256 834897107 /nfs/dbraw/zinc/89/71/07/834897107.db2.gz OXFSVCJJQWWXIK-UHFFFAOYSA-N 1 2 398.507 3.793 20 30 GHEDLO O=C(Nc1ccccc1-c1[nH+]cc2n1CCCC2)[C@H]1CC12CCS(=O)(=O)CC2 ZINC000329593141 835317219 /nfs/dbraw/zinc/31/72/19/835317219.db2.gz OFQCYZYVMKWIFU-QGZVFWFLSA-N 1 2 399.516 3.689 20 30 GHEDLO Cc1ccc([C@@H](NC(=O)C[NH+]2CCC(C#N)(c3ccccn3)CC2)C2CC2)cc1 ZINC000548864764 835519304 /nfs/dbraw/zinc/51/93/04/835519304.db2.gz BLOSZSCOQCBAND-HSZRJFAPSA-N 1 2 388.515 3.515 20 30 GHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)N1CCc2sccc2C1 ZINC000512527753 844069124 /nfs/dbraw/zinc/06/91/24/844069124.db2.gz XGXVOTWIWKMGAL-KRWDZBQOSA-N 1 2 386.565 3.877 20 30 GHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)N1CCc2sccc2C1 ZINC000512527753 844069132 /nfs/dbraw/zinc/06/91/32/844069132.db2.gz XGXVOTWIWKMGAL-KRWDZBQOSA-N 1 2 386.565 3.877 20 30 GHEDLO N#Cc1cccc(Oc2nc(Cl)ncc2N2CCC(n3cc[nH+]c3)CC2)c1 ZINC001167128060 836471196 /nfs/dbraw/zinc/47/11/96/836471196.db2.gz CWCUZBSAQWZSLX-UHFFFAOYSA-N 1 2 380.839 3.832 20 30 GHEDLO C#CC[N@@H+](CC(=O)Nc1nc2ccc(F)cc2s1)[C@@H]1CCc2ccccc21 ZINC001167179031 836812837 /nfs/dbraw/zinc/81/28/37/836812837.db2.gz SYCKARGQBLCPOH-GOSISDBHSA-N 1 2 379.460 3.997 20 30 GHEDLO C#CC[N@H+](CC(=O)Nc1nc2ccc(F)cc2s1)[C@@H]1CCc2ccccc21 ZINC001167179031 836812857 /nfs/dbraw/zinc/81/28/57/836812857.db2.gz SYCKARGQBLCPOH-GOSISDBHSA-N 1 2 379.460 3.997 20 30 GHEDLO Cc1cc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)c(C)n1-c1ccc(C#N)cc1 ZINC000102914498 836858477 /nfs/dbraw/zinc/85/84/77/836858477.db2.gz XHJXSNXESPMNCM-UHFFFAOYSA-N 1 2 391.500 3.663 20 30 GHEDLO Cc1cc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)c(C)n1-c1ccc(C#N)cc1 ZINC000102914498 836858485 /nfs/dbraw/zinc/85/84/85/836858485.db2.gz XHJXSNXESPMNCM-UHFFFAOYSA-N 1 2 391.500 3.663 20 30 GHEDLO C[N@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)Nc1cccc(C#N)c1)CC2 ZINC000275474765 837108732 /nfs/dbraw/zinc/10/87/32/837108732.db2.gz AQMKZTLXPJBPSD-KRWDZBQOSA-N 1 2 381.505 3.533 20 30 GHEDLO C[N@@H+](Cc1nccs1)[C@H]1CC12CCN(C(=O)Nc1cccc(C#N)c1)CC2 ZINC000275474765 837108742 /nfs/dbraw/zinc/10/87/42/837108742.db2.gz AQMKZTLXPJBPSD-KRWDZBQOSA-N 1 2 381.505 3.533 20 30 GHEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cccc(SCC#N)c1 ZINC000175991449 837117379 /nfs/dbraw/zinc/11/73/79/837117379.db2.gz JDJHFSOQWCKRKB-UHFFFAOYSA-N 1 2 381.501 3.695 20 30 GHEDLO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC(COc3ccccc3)CC2)C1=O ZINC000177071352 837854204 /nfs/dbraw/zinc/85/42/04/837854204.db2.gz IDGMAQGBFBWJQO-IBGZPJMESA-N 1 2 381.501 3.516 20 30 GHEDLO N#Cc1ccc(C[C@H](C#N)c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)cc1 ZINC000589091527 838310032 /nfs/dbraw/zinc/31/00/32/838310032.db2.gz XVCRYNHAYHYERU-HXUWFJFHSA-N 1 2 380.411 3.703 20 30 GHEDLO NC(Cc1cccnc1)=[NH+]OCc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000179923599 838472192 /nfs/dbraw/zinc/47/21/92/838472192.db2.gz GSBVECOYCBOHRX-UHFFFAOYSA-N 1 2 376.338 3.787 20 30 GHEDLO Cc1cccc(-c2noc(CO[NH+]=C(N)c3ccc(Br)cc3)n2)c1 ZINC000782948114 838501169 /nfs/dbraw/zinc/50/11/69/838501169.db2.gz HHWGKPXZQLTPKW-UHFFFAOYSA-N 1 2 387.237 3.645 20 30 GHEDLO C=CCN1c2ccc(Nc3cc(C)[nH+]c(OC)c3)cc2C2(CCOCC2)C1=O ZINC001210780278 838909147 /nfs/dbraw/zinc/90/91/47/838909147.db2.gz NFILZKOCUNJVIP-UHFFFAOYSA-N 1 2 379.460 3.723 20 30 GHEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CC=C(c4ccc(Cl)nc4)CC3)o2)cc1 ZINC000378391611 839029153 /nfs/dbraw/zinc/02/91/53/839029153.db2.gz CRPKZIPQZOUAMQ-UHFFFAOYSA-N 1 2 377.835 3.946 20 30 GHEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CC=C(c4ccc(Cl)nc4)CC3)o2)cc1 ZINC000378391611 839029159 /nfs/dbraw/zinc/02/91/59/839029159.db2.gz CRPKZIPQZOUAMQ-UHFFFAOYSA-N 1 2 377.835 3.946 20 30 GHEDLO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cnccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000580614628 839903412 /nfs/dbraw/zinc/90/34/12/839903412.db2.gz RORGSSSJVSOMPE-MOPGFXCFSA-N 1 2 386.858 3.700 20 30 GHEDLO CC(C)[N@H+]1CC[C@@H](NC(=O)c2cnccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000580614628 839903416 /nfs/dbraw/zinc/90/34/16/839903416.db2.gz RORGSSSJVSOMPE-MOPGFXCFSA-N 1 2 386.858 3.700 20 30 GHEDLO C=CC[N@H+](Cc1ccccc1)Cn1cc(C)n(-c2ccccc2[N+](=O)[O-])c1=O ZINC000728707849 839991820 /nfs/dbraw/zinc/99/18/20/839991820.db2.gz RKOAFZDIMZSWLP-UHFFFAOYSA-N 1 2 378.432 3.501 20 30 GHEDLO C=CC[N@@H+](Cc1ccccc1)Cn1cc(C)n(-c2ccccc2[N+](=O)[O-])c1=O ZINC000728707849 839991826 /nfs/dbraw/zinc/99/18/26/839991826.db2.gz RKOAFZDIMZSWLP-UHFFFAOYSA-N 1 2 378.432 3.501 20 30 GHEDLO Cc1cccn2cc(CCNC(=O)Nc3cc(C#N)ccc3OC(C)C)[nH+]c12 ZINC000610454576 840063119 /nfs/dbraw/zinc/06/31/19/840063119.db2.gz YTQYRBRPZCZJRY-UHFFFAOYSA-N 1 2 377.448 3.666 20 30 GHEDLO Cc1cccn2cc(CCNC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)[nH+]c12 ZINC000610462037 840177874 /nfs/dbraw/zinc/17/78/74/840177874.db2.gz SZOIAMLMLJBXCM-UHFFFAOYSA-N 1 2 389.503 3.925 20 30 GHEDLO N#Cc1csc(CSc2nnc(C[NH+]3CCCC3)n2Cc2ccccc2)n1 ZINC000416895829 840257787 /nfs/dbraw/zinc/25/77/87/840257787.db2.gz ONEJSKXLVUISIO-UHFFFAOYSA-N 1 2 396.545 3.543 20 30 GHEDLO N#Cc1cccc(C2([NH2+]Cc3cn(-c4ccccc4Br)nn3)CC2)c1 ZINC000580920651 840428721 /nfs/dbraw/zinc/42/87/21/840428721.db2.gz MDWGECZERCYQQO-UHFFFAOYSA-N 1 2 394.276 3.680 20 30 GHEDLO O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329252762 861207977 /nfs/dbraw/zinc/20/79/77/861207977.db2.gz VSFVRAUFWDZWES-BDJLRTHQSA-N 1 2 393.274 3.514 20 30 GHEDLO Cc1cnc(CC[N@@H+](C)CC(=O)Nc2sc3c(c2C#N)CCCCC3)s1 ZINC000157850772 841854915 /nfs/dbraw/zinc/85/49/15/841854915.db2.gz AMFLUUFRONALBV-UHFFFAOYSA-N 1 2 388.562 3.767 20 30 GHEDLO Cc1cnc(CC[N@H+](C)CC(=O)Nc2sc3c(c2C#N)CCCCC3)s1 ZINC000157850772 841854923 /nfs/dbraw/zinc/85/49/23/841854923.db2.gz AMFLUUFRONALBV-UHFFFAOYSA-N 1 2 388.562 3.767 20 30 GHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1Br ZINC000125929808 842157598 /nfs/dbraw/zinc/15/75/98/842157598.db2.gz DVWVZHLXSIJCRQ-AEFFLSMTSA-N 1 2 378.314 3.640 20 30 GHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H]1c1ccccc1Br ZINC000125929808 842157623 /nfs/dbraw/zinc/15/76/23/842157623.db2.gz DVWVZHLXSIJCRQ-AEFFLSMTSA-N 1 2 378.314 3.640 20 30 GHEDLO COC(=O)c1ccc(C[NH2+]Cc2ccc(C#N)cc2F)c(Br)c1 ZINC000585766838 842280168 /nfs/dbraw/zinc/28/01/68/842280168.db2.gz BETKARCHDMBLHH-UHFFFAOYSA-N 1 2 377.213 3.536 20 30 GHEDLO Cc1cc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cnc1N1CCCC[C@@H]1C ZINC000329364654 861330529 /nfs/dbraw/zinc/33/05/29/861330529.db2.gz GBXJBNWZVQSSME-PKOBYXMFSA-N 1 2 382.512 3.675 20 30 GHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+](C)CCC2CCOCC2)c1=S ZINC000163096444 842710259 /nfs/dbraw/zinc/71/02/59/842710259.db2.gz ZNIRNWPHZYKNBE-UHFFFAOYSA-N 1 2 387.553 3.758 20 30 GHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+](C)CCC2CCOCC2)c1=S ZINC000163096444 842710265 /nfs/dbraw/zinc/71/02/65/842710265.db2.gz ZNIRNWPHZYKNBE-UHFFFAOYSA-N 1 2 387.553 3.758 20 30 GHEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1csc(Br)c1 ZINC000128695769 843570681 /nfs/dbraw/zinc/57/06/81/843570681.db2.gz VBOYSLXLXDFKIZ-LLVKDONJSA-N 1 2 378.295 3.841 20 30 GHEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1csc(Br)c1 ZINC000128695769 843570698 /nfs/dbraw/zinc/57/06/98/843570698.db2.gz VBOYSLXLXDFKIZ-LLVKDONJSA-N 1 2 378.295 3.841 20 30 GHEDLO Cn1cc(C#N)cc1C(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000176046129 843605915 /nfs/dbraw/zinc/60/59/15/843605915.db2.gz VKIKGYHVACRODE-UHFFFAOYSA-N 1 2 399.857 3.618 20 30 GHEDLO N#C[C@@H](C(=O)C[N@H+](C1CC1)[C@H]1CCc2ccccc21)c1nc2ccccc2c(=O)[nH]1 ZINC000728913611 843653196 /nfs/dbraw/zinc/65/31/96/843653196.db2.gz DFMSXORBZWLOLP-FPOVZHCZSA-N 1 2 398.466 3.664 20 30 GHEDLO N#C[C@@H](C(=O)C[N@@H+](C1CC1)[C@H]1CCc2ccccc21)c1nc2ccccc2c(=O)[nH]1 ZINC000728913611 843653200 /nfs/dbraw/zinc/65/32/00/843653200.db2.gz DFMSXORBZWLOLP-FPOVZHCZSA-N 1 2 398.466 3.664 20 30 GHEDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC000500588405 843674479 /nfs/dbraw/zinc/67/44/79/843674479.db2.gz HOMWYWMKEPDDEX-XNRPHZJLSA-N 1 2 389.286 3.842 20 30 GHEDLO C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677017 861474380 /nfs/dbraw/zinc/47/43/80/861474380.db2.gz HBSGGHZFJSJIRQ-CYBMUJFWSA-N 1 2 394.475 3.887 20 30 GHEDLO C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677017 861474393 /nfs/dbraw/zinc/47/43/93/861474393.db2.gz HBSGGHZFJSJIRQ-CYBMUJFWSA-N 1 2 394.475 3.887 20 30 GHEDLO C[N@H+](CC(=O)Nc1nc(-c2ccco2)cs1)Cc1ccc2c(c1)OCCO2 ZINC000051589202 843972606 /nfs/dbraw/zinc/97/26/06/843972606.db2.gz AHLDJULKOOCMRB-UHFFFAOYSA-N 1 2 385.445 3.894 20 30 GHEDLO C[N@@H+](CC(=O)Nc1nc(-c2ccco2)cs1)Cc1ccc2c(c1)OCCO2 ZINC000051589202 843972611 /nfs/dbraw/zinc/97/26/11/843972611.db2.gz AHLDJULKOOCMRB-UHFFFAOYSA-N 1 2 385.445 3.894 20 30 GHEDLO CC(C)CO[C@H]1CC[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000247548428 845139467 /nfs/dbraw/zinc/13/94/67/845139467.db2.gz KHRGYFFNGACTEI-SJORKVTESA-N 1 2 375.538 3.766 20 30 GHEDLO CC(C)CO[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000247548428 845139471 /nfs/dbraw/zinc/13/94/71/845139471.db2.gz KHRGYFFNGACTEI-SJORKVTESA-N 1 2 375.538 3.766 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c2c(F)cncc2F)c1 ZINC000513271044 845166199 /nfs/dbraw/zinc/16/61/99/845166199.db2.gz IYUKYARHKFNEJN-HOTGVXAUSA-N 1 2 386.446 3.963 20 30 GHEDLO CC[C@H]1C[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)CCS1 ZINC001167499348 845304239 /nfs/dbraw/zinc/30/42/39/845304239.db2.gz GUVRGOXYRGGJQA-SFHVURJKSA-N 1 2 382.533 3.732 20 30 GHEDLO CC[C@H]1C[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)CCS1 ZINC001167499348 845304245 /nfs/dbraw/zinc/30/42/45/845304245.db2.gz GUVRGOXYRGGJQA-SFHVURJKSA-N 1 2 382.533 3.732 20 30 GHEDLO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)cc1 ZINC000367086897 846599128 /nfs/dbraw/zinc/59/91/28/846599128.db2.gz VPYVHMYLWRUMOA-JOCHJYFZSA-N 1 2 398.466 3.841 20 30 GHEDLO Cc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc(C)c1OC(F)F ZINC000502936615 846633634 /nfs/dbraw/zinc/63/36/34/846633634.db2.gz BQJAYDRQZOGLOR-UHFFFAOYSA-N 1 2 399.441 3.735 20 30 GHEDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000329600145 861744672 /nfs/dbraw/zinc/74/46/72/861744672.db2.gz DWPWWHINKNSYES-QZTJIDSGSA-N 1 2 380.492 3.790 20 30 GHEDLO C[C@]1(NC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CCO[C@H]1C1CC1 ZINC000329606858 861756789 /nfs/dbraw/zinc/75/67/89/861756789.db2.gz IEDNGQHQXXUMMX-UGKGYDQZSA-N 1 2 380.492 3.979 20 30 GHEDLO C=C(C)COc1cc(C[NH+]2CC(n3cc(-c4ccccc4)nn3)C2)ccc1OC ZINC000501734290 847140964 /nfs/dbraw/zinc/14/09/64/847140964.db2.gz WDHMEQHTFMNIFD-UHFFFAOYSA-N 1 2 390.487 3.966 20 30 GHEDLO N#Cc1cccc(CNC(=O)C[N@H+](Cc2ccc(F)cc2Cl)CC2CC2)c1 ZINC000511124874 847232065 /nfs/dbraw/zinc/23/20/65/847232065.db2.gz MRDZRUXJOMDAQJ-UHFFFAOYSA-N 1 2 385.870 3.879 20 30 GHEDLO N#Cc1cccc(CNC(=O)C[N@@H+](Cc2ccc(F)cc2Cl)CC2CC2)c1 ZINC000511124874 847232075 /nfs/dbraw/zinc/23/20/75/847232075.db2.gz MRDZRUXJOMDAQJ-UHFFFAOYSA-N 1 2 385.870 3.879 20 30 GHEDLO C=C(C)COc1cccc(NC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)c1 ZINC000604099819 861780588 /nfs/dbraw/zinc/78/05/88/861780588.db2.gz LDDHHLCEDKBUQX-GOSISDBHSA-N 1 2 380.492 3.947 20 30 GHEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)C1=O ZINC000248142963 849399489 /nfs/dbraw/zinc/39/94/89/849399489.db2.gz ZASSPNDDOWYJRS-IRXDYDNUSA-N 1 2 387.892 3.532 20 30 GHEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)C1=O ZINC000248142963 849399493 /nfs/dbraw/zinc/39/94/93/849399493.db2.gz ZASSPNDDOWYJRS-IRXDYDNUSA-N 1 2 387.892 3.532 20 30 GHEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000504542673 850135362 /nfs/dbraw/zinc/13/53/62/850135362.db2.gz UHDILVLXLABZPN-UHFFFAOYSA-N 1 2 378.929 3.875 20 30 GHEDLO N#Cc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)s1 ZINC000486851662 850184452 /nfs/dbraw/zinc/18/44/52/850184452.db2.gz AVJIZGWTIHAPIC-UHFFFAOYSA-N 1 2 380.498 3.887 20 30 GHEDLO N#Cc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)s1 ZINC000486851662 850184461 /nfs/dbraw/zinc/18/44/61/850184461.db2.gz AVJIZGWTIHAPIC-UHFFFAOYSA-N 1 2 380.498 3.887 20 30 GHEDLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C#N)cs1 ZINC000439782951 850388241 /nfs/dbraw/zinc/38/82/41/850388241.db2.gz OAJHNRYBRHMOMC-HNAYVOBHSA-N 1 2 382.533 3.696 20 30 GHEDLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C#N)cs1 ZINC000439782951 850388245 /nfs/dbraw/zinc/38/82/45/850388245.db2.gz OAJHNRYBRHMOMC-HNAYVOBHSA-N 1 2 382.533 3.696 20 30 GHEDLO COc1ccc2c(c1)C[N@@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)CC2 ZINC000519215983 850766428 /nfs/dbraw/zinc/76/64/28/850766428.db2.gz UYOPTXKLLAJKNY-UHFFFAOYSA-N 1 2 377.488 3.617 20 30 GHEDLO COc1ccc2c(c1)C[N@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)CC2 ZINC000519215983 850766435 /nfs/dbraw/zinc/76/64/35/850766435.db2.gz UYOPTXKLLAJKNY-UHFFFAOYSA-N 1 2 377.488 3.617 20 30 GHEDLO CCCC[C@@H]([NH2+]Cc1nc(C#N)cs1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000569860636 850801759 /nfs/dbraw/zinc/80/17/59/850801759.db2.gz HRVLXYFBOIOZGZ-LJQANCHMSA-N 1 2 397.548 3.902 20 30 GHEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)c1ccc(C#N)c(C)n1 ZINC000488131785 851190374 /nfs/dbraw/zinc/19/03/74/851190374.db2.gz YMLDUDHYHRGULR-UHFFFAOYSA-N 1 2 375.476 3.954 20 30 GHEDLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C#N)oc1C ZINC000436165319 851279615 /nfs/dbraw/zinc/27/96/15/851279615.db2.gz XJYISZWQZOYLEM-QVKFZJNVSA-N 1 2 380.492 3.536 20 30 GHEDLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C#N)oc1C ZINC000436165319 851279624 /nfs/dbraw/zinc/27/96/24/851279624.db2.gz XJYISZWQZOYLEM-QVKFZJNVSA-N 1 2 380.492 3.536 20 30 GHEDLO N#Cc1ccc(Oc2ccc(NC(=O)NCC[NH+]3Cc4ccccc4C3)cn2)cc1 ZINC000604485504 862227895 /nfs/dbraw/zinc/22/78/95/862227895.db2.gz RBBOOAGQGZBRNJ-UHFFFAOYSA-N 1 2 399.454 3.883 20 30 GHEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000517486785 852012181 /nfs/dbraw/zinc/01/21/81/852012181.db2.gz IWJXKZODTQLHLD-AXUOBQJMSA-N 1 2 395.906 3.505 20 30 GHEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000517486785 852012193 /nfs/dbraw/zinc/01/21/93/852012193.db2.gz IWJXKZODTQLHLD-AXUOBQJMSA-N 1 2 395.906 3.505 20 30 GHEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000329776486 862316006 /nfs/dbraw/zinc/31/60/06/862316006.db2.gz JYKCXXBUROQEDX-XFQXTVEOSA-N 1 2 386.492 3.858 20 30 GHEDLO C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000329776486 862316024 /nfs/dbraw/zinc/31/60/24/862316024.db2.gz JYKCXXBUROQEDX-XFQXTVEOSA-N 1 2 386.492 3.858 20 30 GHEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000516131015 852185905 /nfs/dbraw/zinc/18/59/05/852185905.db2.gz GMVIRRCVGVDXCM-HXUWFJFHSA-N 1 2 378.407 3.925 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCCc4sccc43)CC2)cc1 ZINC000329818450 862342505 /nfs/dbraw/zinc/34/25/05/862342505.db2.gz FSJFGBQXAWAMFV-LJQANCHMSA-N 1 2 380.517 3.729 20 30 GHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)C[C@H]2OCCc3ccccc32)c1C ZINC000507220052 852668538 /nfs/dbraw/zinc/66/85/38/852668538.db2.gz SVCLHFXMEUEVFU-HSZRJFAPSA-N 1 2 391.515 3.796 20 30 GHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)C[C@H]2OCCc3ccccc32)c1C ZINC000507220052 852668542 /nfs/dbraw/zinc/66/85/42/852668542.db2.gz SVCLHFXMEUEVFU-HSZRJFAPSA-N 1 2 391.515 3.796 20 30 GHEDLO CC[N@H+](Cc1ccc(C#N)cc1OC(F)F)[C@@H]1CCN(c2ccccc2)C1=O ZINC000437156257 852807581 /nfs/dbraw/zinc/80/75/81/852807581.db2.gz OKZCCFWYTYXCBZ-GOSISDBHSA-N 1 2 385.414 3.787 20 30 GHEDLO CC[N@@H+](Cc1ccc(C#N)cc1OC(F)F)[C@@H]1CCN(c2ccccc2)C1=O ZINC000437156257 852807586 /nfs/dbraw/zinc/80/75/86/852807586.db2.gz OKZCCFWYTYXCBZ-GOSISDBHSA-N 1 2 385.414 3.787 20 30 GHEDLO CCOc1c(Cl)cc(C[NH+]2CCN(c3ccccc3C#N)CC2)cc1OC ZINC000506357789 852853566 /nfs/dbraw/zinc/85/35/66/852853566.db2.gz SDUWYJJFZNHOQE-UHFFFAOYSA-N 1 2 385.895 3.941 20 30 GHEDLO N#Cc1ccc(C2CCN(C(=O)C[C@H](c3[nH]cc[nH+]3)c3ccccc3)CC2)nc1 ZINC000912929901 852896409 /nfs/dbraw/zinc/89/64/09/852896409.db2.gz VFLVRLFQFNKZRR-FQEVSTJZSA-N 1 2 385.471 3.605 20 30 GHEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)c1 ZINC000518335002 853220525 /nfs/dbraw/zinc/22/05/25/853220525.db2.gz MKMKSMDAWYQFQN-CEXWTWQISA-N 1 2 395.453 3.721 20 30 GHEDLO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)c1 ZINC000518335002 853220532 /nfs/dbraw/zinc/22/05/32/853220532.db2.gz MKMKSMDAWYQFQN-CEXWTWQISA-N 1 2 395.453 3.721 20 30 GHEDLO C=CC[N@H+](Cc1c[nH]c2nccnc12)Cc1cc(Br)ccc1F ZINC000519735071 853427868 /nfs/dbraw/zinc/42/78/68/853427868.db2.gz RUCMUBWLUNTQQP-UHFFFAOYSA-N 1 2 375.245 3.999 20 30 GHEDLO C=CC[N@@H+](Cc1c[nH]c2nccnc12)Cc1cc(Br)ccc1F ZINC000519735071 853427873 /nfs/dbraw/zinc/42/78/73/853427873.db2.gz RUCMUBWLUNTQQP-UHFFFAOYSA-N 1 2 375.245 3.999 20 30 GHEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCc2ccc(CC#N)cc2)C[C@@H](C)O1 ZINC000518524936 853471416 /nfs/dbraw/zinc/47/14/16/853471416.db2.gz VJWIQCKHEMVNIF-QZTJIDSGSA-N 1 2 392.503 3.684 20 30 GHEDLO COc1ccc(-c2ccncc2)cc1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000481891008 862499449 /nfs/dbraw/zinc/49/94/49/862499449.db2.gz IYYWLUYJWXCILK-UHFFFAOYSA-N 1 2 398.510 3.947 20 30 GHEDLO Cn1c[nH+]cc1CCC(=O)NC1(c2noc([C@@H]3CCCO3)n2)CCCCCC1 ZINC000330030526 862519493 /nfs/dbraw/zinc/51/94/93/862519493.db2.gz RTSUYSNQQNGRLU-INIZCTEOSA-N 1 2 387.484 3.793 20 30 GHEDLO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000588203177 854215266 /nfs/dbraw/zinc/21/52/66/854215266.db2.gz TZQSDQVGBIJNHR-AWEZNQCLSA-N 1 2 379.298 3.876 20 30 GHEDLO CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000588203177 854215275 /nfs/dbraw/zinc/21/52/75/854215275.db2.gz TZQSDQVGBIJNHR-AWEZNQCLSA-N 1 2 379.298 3.876 20 30 GHEDLO O=C(Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1)[C@H]1CCn2c[nH+]cc2C1 ZINC000328947108 854612154 /nfs/dbraw/zinc/61/21/54/854612154.db2.gz VTBMJDMYMBVAHZ-AWEZNQCLSA-N 1 2 393.472 3.742 20 30 GHEDLO CCOC(=O)C[C@@H](c1ccccc1)C1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000589497125 854909077 /nfs/dbraw/zinc/90/90/77/854909077.db2.gz CNLLBUHSUHJIBG-IBGZPJMESA-N 1 2 383.517 3.964 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCOC4(CCCC4)C3)n2)C1 ZINC000330157304 862622920 /nfs/dbraw/zinc/62/29/20/862622920.db2.gz POYOGRBBIVANTA-OAHLLOKOSA-N 1 2 378.542 3.566 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCOC4(CCCC4)C3)n2)C1 ZINC000330157304 862622924 /nfs/dbraw/zinc/62/29/24/862622924.db2.gz POYOGRBBIVANTA-OAHLLOKOSA-N 1 2 378.542 3.566 20 30 GHEDLO Cc1cc(N)nc(SCCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)[nH+]1 ZINC000054441169 855153785 /nfs/dbraw/zinc/15/37/85/855153785.db2.gz BXEMMUQNWJTFFF-JTQLQIEISA-N 1 2 387.534 3.546 20 30 GHEDLO COc1cc(CN2CCC[C@](C)(C#N)C2)cc(C[N@@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000590115647 855285449 /nfs/dbraw/zinc/28/54/49/855285449.db2.gz LHLORRLPZCOEAO-DHIUTWEWSA-N 1 2 380.536 3.947 20 30 GHEDLO COc1cc(CN2CCC[C@](C)(C#N)C2)cc(C[N@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000590115647 855285461 /nfs/dbraw/zinc/28/54/61/855285461.db2.gz LHLORRLPZCOEAO-DHIUTWEWSA-N 1 2 380.536 3.947 20 30 GHEDLO O=C(NCCCn1cc[nH+]c1)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000665104342 855586806 /nfs/dbraw/zinc/58/68/06/855586806.db2.gz AZNHIZFXMLYNLG-UHFFFAOYSA-N 1 2 397.294 3.993 20 30 GHEDLO N#CC[C@@H]1CC[C@H](NC(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000590832442 855626679 /nfs/dbraw/zinc/62/66/79/855626679.db2.gz ROJORWGFHQAMKJ-YJBOKZPZSA-N 1 2 394.441 3.615 20 30 GHEDLO N#Cc1cccc(C[NH+]2CCN(Cc3ccc(Br)s3)CC2)c1 ZINC000046167796 855713463 /nfs/dbraw/zinc/71/34/63/855713463.db2.gz QUBKYHMFIGPRQW-UHFFFAOYSA-N 1 2 376.323 3.700 20 30 GHEDLO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000591334346 855893504 /nfs/dbraw/zinc/89/35/04/855893504.db2.gz CHKIVELZDDFKAH-OAQYLSRUSA-N 1 2 389.503 3.820 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)c(C#N)c1C ZINC000482152196 862745862 /nfs/dbraw/zinc/74/58/62/862745862.db2.gz QMNFEORVGZKEMW-DYESRHJHSA-N 1 2 396.535 3.841 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)c(C#N)c1C ZINC000482152196 862745874 /nfs/dbraw/zinc/74/58/74/862745874.db2.gz QMNFEORVGZKEMW-DYESRHJHSA-N 1 2 396.535 3.841 20 30 GHEDLO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507800874 856086296 /nfs/dbraw/zinc/08/62/96/856086296.db2.gz GFBAMKDZARSCEK-AWEZNQCLSA-N 1 2 385.414 3.707 20 30 GHEDLO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000158012675 862781587 /nfs/dbraw/zinc/78/15/87/862781587.db2.gz WGXIVBPTJLBUOK-FPOVZHCZSA-N 1 2 380.513 3.991 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(c3nc(-c4cc(F)cc(F)c4)ns3)CC2)cc1 ZINC000591892357 856408131 /nfs/dbraw/zinc/40/81/31/856408131.db2.gz XVCDUITXFWDASW-UHFFFAOYSA-N 1 2 397.454 3.677 20 30 GHEDLO CN1CCCN(CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)c2ccccc21 ZINC000330306980 862823991 /nfs/dbraw/zinc/82/39/91/862823991.db2.gz LPNKYQXFYBXLAK-UHFFFAOYSA-N 1 2 385.537 3.673 20 30 GHEDLO C[C@H]1CCN(c2c(C#N)cnc3ccc(OC(F)F)cc32)C[C@@H]1n1cc[nH+]c1 ZINC000134059371 862827088 /nfs/dbraw/zinc/82/70/88/862827088.db2.gz YUWBHZVHFITWAF-UGSOOPFHSA-N 1 2 383.402 3.992 20 30 GHEDLO N#Cc1cnccc1CSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000592346692 857143771 /nfs/dbraw/zinc/14/37/71/857143771.db2.gz NARCKYMDDXZZPE-UHFFFAOYSA-N 1 2 390.516 3.812 20 30 GHEDLO C=CC[N@@H+](Cc1ncc(CSC)s1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000508353153 857212927 /nfs/dbraw/zinc/21/29/27/857212927.db2.gz AHDWJTCRRFPRFP-CQSZACIVSA-N 1 2 386.550 3.731 20 30 GHEDLO C=CC[N@H+](Cc1ncc(CSC)s1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000508353153 857212940 /nfs/dbraw/zinc/21/29/40/857212940.db2.gz AHDWJTCRRFPRFP-CQSZACIVSA-N 1 2 386.550 3.731 20 30 GHEDLO CC(C)(CNC(=O)c1ccc(Sc2ccccc2C#N)cc1)[NH+]1CCOCC1 ZINC000175071477 857430661 /nfs/dbraw/zinc/43/06/61/857430661.db2.gz VJQUCZNDSNDDMD-UHFFFAOYSA-N 1 2 395.528 3.550 20 30 GHEDLO C=CC[N@H+](CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)Cc1cccs1 ZINC000019540571 857521754 /nfs/dbraw/zinc/52/17/54/857521754.db2.gz LHBZETMGVVWVCM-UHFFFAOYSA-N 1 2 387.549 3.531 20 30 GHEDLO C=CC[N@@H+](CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)Cc1cccs1 ZINC000019540571 857521764 /nfs/dbraw/zinc/52/17/64/857521764.db2.gz LHBZETMGVVWVCM-UHFFFAOYSA-N 1 2 387.549 3.531 20 30 GHEDLO C[N@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)Cc1ccc(C#N)cc1 ZINC000046527282 858047502 /nfs/dbraw/zinc/04/75/02/858047502.db2.gz BPJMWXCGQCMOKU-LJQANCHMSA-N 1 2 388.427 3.554 20 30 GHEDLO C[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)Cc1ccc(C#N)cc1 ZINC000046527282 858047509 /nfs/dbraw/zinc/04/75/09/858047509.db2.gz BPJMWXCGQCMOKU-LJQANCHMSA-N 1 2 388.427 3.554 20 30 GHEDLO N#Cc1ccnc(N2CC[NH+](Cc3oc4ccccc4c3Br)CC2)c1 ZINC000594597598 858217248 /nfs/dbraw/zinc/21/72/48/858217248.db2.gz PMCGRMLTVCQYHQ-UHFFFAOYSA-N 1 2 397.276 3.784 20 30 GHEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)Nc1ccccc1CC[NH+](C)C ZINC000594729534 858267135 /nfs/dbraw/zinc/26/71/35/858267135.db2.gz XTIWDFUJXCHPCM-UHFFFAOYSA-N 1 2 399.541 3.986 20 30 GHEDLO Cc1cccc(N2CC[NH+](CC(=O)N(CCC#N)c3cccc(Cl)c3)CC2)c1 ZINC000010988438 858541663 /nfs/dbraw/zinc/54/16/63/858541663.db2.gz QBZIBECEARZUGL-UHFFFAOYSA-N 1 2 396.922 3.717 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H](CC#N)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000595579595 858558247 /nfs/dbraw/zinc/55/82/47/858558247.db2.gz KRBPIOWMHTVWIN-SOVGHPHASA-N 1 2 394.441 3.574 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H](CC#N)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000595579595 858558250 /nfs/dbraw/zinc/55/82/50/858558250.db2.gz KRBPIOWMHTVWIN-SOVGHPHASA-N 1 2 394.441 3.574 20 30 GHEDLO C=CCOc1ccccc1CNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000522073284 858592814 /nfs/dbraw/zinc/59/28/14/858592814.db2.gz BZDZHGOBHBVOPO-SFHVURJKSA-N 1 2 395.503 3.966 20 30 GHEDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2cc(C)c([N+](=O)[O-])c(C#N)c2)cc1 ZINC000596064231 858769698 /nfs/dbraw/zinc/76/96/98/858769698.db2.gz UEHIFVIQHLQADP-HXUWFJFHSA-N 1 2 380.448 3.569 20 30 GHEDLO Cc1cc(Br)cn2cc(CCNC(=O)c3cccc(C#N)c3C)[nH+]c12 ZINC000509306850 859002296 /nfs/dbraw/zinc/00/22/96/859002296.db2.gz RAYVPLAQWKPMGE-UHFFFAOYSA-N 1 2 397.276 3.558 20 30 GHEDLO COC(=O)C[C@@](C)([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccccn1 ZINC000429685275 859005342 /nfs/dbraw/zinc/00/53/42/859005342.db2.gz LGZZOTXDLBUTGB-LJQANCHMSA-N 1 2 376.378 3.520 20 30 GHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc(F)c(C#N)c(F)c3)n2)C1 ZINC000596895606 859133240 /nfs/dbraw/zinc/13/32/40/859133240.db2.gz SSOLULUESZFSRS-NSHDSACASA-N 1 2 376.432 3.777 20 30 GHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc(F)c(C#N)c(F)c3)n2)C1 ZINC000596895606 859133246 /nfs/dbraw/zinc/13/32/46/859133246.db2.gz SSOLULUESZFSRS-NSHDSACASA-N 1 2 376.432 3.777 20 30 GHEDLO C[C@H](NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(C#N)cc1 ZINC000282538860 859145281 /nfs/dbraw/zinc/14/52/81/859145281.db2.gz MHDMSLURLDBZDO-QFBILLFUSA-N 1 2 377.492 3.741 20 30 GHEDLO N#Cc1ccc(OCc2ccc(C(=O)NCc3cccc(-n4cc[nH+]c4)c3)o2)cc1 ZINC000522357890 859175521 /nfs/dbraw/zinc/17/55/21/859175521.db2.gz MQKKCATVQKLAHW-UHFFFAOYSA-N 1 2 398.422 3.846 20 30 GHEDLO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC(c3cccc(Cl)c3)CC2)c1 ZINC000483138704 859175680 /nfs/dbraw/zinc/17/56/80/859175680.db2.gz WUBAPSMCCGJWHV-UHFFFAOYSA-N 1 2 388.920 3.865 20 30 GHEDLO Cc1ccoc1C[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC000429407325 859283254 /nfs/dbraw/zinc/28/32/54/859283254.db2.gz YSFBRWZBZAOULB-UHFFFAOYSA-N 1 2 376.460 3.938 20 30 GHEDLO Cc1ccoc1C[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC000429407325 859283267 /nfs/dbraw/zinc/28/32/67/859283267.db2.gz YSFBRWZBZAOULB-UHFFFAOYSA-N 1 2 376.460 3.938 20 30 GHEDLO CCOCCOc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000597172874 859323755 /nfs/dbraw/zinc/32/37/55/859323755.db2.gz GGXLJKROSKEEES-HNNXBMFYSA-N 1 2 381.314 3.990 20 30 GHEDLO CCOCCOc1ccc(Br)cc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000597172874 859323758 /nfs/dbraw/zinc/32/37/58/859323758.db2.gz GGXLJKROSKEEES-HNNXBMFYSA-N 1 2 381.314 3.990 20 30 GHEDLO CC#CCCNC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000483399148 859328501 /nfs/dbraw/zinc/32/85/01/859328501.db2.gz ACIYMLFNPLHJTG-UHFFFAOYSA-N 1 2 376.863 3.691 20 30 GHEDLO C=CC[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccncc1 ZINC000764406526 859430865 /nfs/dbraw/zinc/43/08/65/859430865.db2.gz IXABUNHMOIDQQU-XUVXKRRUSA-N 1 2 386.446 3.722 20 30 GHEDLO C=CC[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1ccncc1 ZINC000764406526 859430870 /nfs/dbraw/zinc/43/08/70/859430870.db2.gz IXABUNHMOIDQQU-XUVXKRRUSA-N 1 2 386.446 3.722 20 30 GHEDLO C=C(C)Cn1c(-c2ccncc2)nn(CN2CCC[C@H](n3cc[nH+]c3)C2)c1=S ZINC000765014631 859728136 /nfs/dbraw/zinc/72/81/36/859728136.db2.gz QKSFYPNHCDIGEQ-SFHVURJKSA-N 1 2 395.536 3.543 20 30 GHEDLO CC(C)C[C@@H](C(=O)N[C@@H](C#N)c1cccc(Br)c1)n1cc[nH+]c1 ZINC000602088292 859764196 /nfs/dbraw/zinc/76/41/96/859764196.db2.gz KPQFVKOBWNAYHV-HOTGVXAUSA-N 1 2 375.270 3.614 20 30 GHEDLO C=CCOc1ccc(-c2nn(C[N@@H+]3CCC[C@H]4COCC[C@@H]43)c(=S)o2)cc1 ZINC000765077435 859769147 /nfs/dbraw/zinc/76/91/47/859769147.db2.gz IMSCPNYITJPBEH-WMZOPIPTSA-N 1 2 387.505 3.896 20 30 GHEDLO C=CCOc1ccc(-c2nn(C[N@H+]3CCC[C@H]4COCC[C@@H]43)c(=S)o2)cc1 ZINC000765077435 859769160 /nfs/dbraw/zinc/76/91/60/859769160.db2.gz IMSCPNYITJPBEH-WMZOPIPTSA-N 1 2 387.505 3.896 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)cc1F ZINC000484090362 859798345 /nfs/dbraw/zinc/79/83/45/859798345.db2.gz CASVRIGYWNFRPH-SFHVURJKSA-N 1 2 377.419 3.838 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)cc1F ZINC000484090362 859798355 /nfs/dbraw/zinc/79/83/55/859798355.db2.gz CASVRIGYWNFRPH-SFHVURJKSA-N 1 2 377.419 3.838 20 30 GHEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000611551972 859809152 /nfs/dbraw/zinc/80/91/52/859809152.db2.gz YGNNCEUQFNHPNY-OAQYLSRUSA-N 1 2 378.426 3.895 20 30 GHEDLO N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)cc2F)c1 ZINC000161367455 859894144 /nfs/dbraw/zinc/89/41/44/859894144.db2.gz FVQGEGUTKXKERX-QGZVFWFLSA-N 1 2 390.418 3.674 20 30 GHEDLO N#CC[C@H]1CCCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000597907532 859900401 /nfs/dbraw/zinc/90/04/01/859900401.db2.gz CLEVHJORQOHUNL-QAPCUYQASA-N 1 2 390.325 3.738 20 30 GHEDLO C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)cc1 ZINC000474418221 860018617 /nfs/dbraw/zinc/01/86/17/860018617.db2.gz UOKJKJZSDHIFBQ-AWEZNQCLSA-N 1 2 381.480 3.584 20 30 GHEDLO C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)cc1 ZINC000474418221 860018629 /nfs/dbraw/zinc/01/86/29/860018629.db2.gz UOKJKJZSDHIFBQ-AWEZNQCLSA-N 1 2 381.480 3.584 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](Cc3cnc(-c4ccccn4)s3)CC2)c(F)c1 ZINC000092612936 860088530 /nfs/dbraw/zinc/08/85/30/860088530.db2.gz AQXPHOPDDUCSBR-UHFFFAOYSA-N 1 2 379.464 3.538 20 30 GHEDLO C=CCn1c([C@H]2COc3ccccc3O2)nn(C[N@H+]2CCC[C@H]2CC)c1=S ZINC000727824474 860291471 /nfs/dbraw/zinc/29/14/71/860291471.db2.gz QBTZPSWEOAZDEH-CRAIPNDOSA-N 1 2 386.521 3.944 20 30 GHEDLO C=CCn1c([C@H]2COc3ccccc3O2)nn(C[N@@H+]2CCC[C@H]2CC)c1=S ZINC000727824474 860291476 /nfs/dbraw/zinc/29/14/76/860291476.db2.gz QBTZPSWEOAZDEH-CRAIPNDOSA-N 1 2 386.521 3.944 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602864850 860319879 /nfs/dbraw/zinc/31/98/79/860319879.db2.gz QUZNJLDUDZGBRY-VAMGGRTRSA-N 1 2 390.531 3.523 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)cc1 ZINC000329413883 860355340 /nfs/dbraw/zinc/35/53/40/860355340.db2.gz CLAGXXSVCQXIMC-GOSISDBHSA-N 1 2 392.507 3.542 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)cc1 ZINC000329413883 860355343 /nfs/dbraw/zinc/35/53/43/860355343.db2.gz CLAGXXSVCQXIMC-GOSISDBHSA-N 1 2 392.507 3.542 20 30 GHEDLO N#Cc1cc(F)cc(C2(C(=O)N3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)CC2)c1 ZINC000552250340 860409897 /nfs/dbraw/zinc/40/98/97/860409897.db2.gz DZBMIOWDQJUQFO-QGZVFWFLSA-N 1 2 392.478 3.668 20 30 GHEDLO C=C(C)Cn1c(-c2cc(C)cs2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000624996112 860685749 /nfs/dbraw/zinc/68/57/49/860685749.db2.gz KBNYOVHJMGRHDW-UHFFFAOYSA-N 1 2 380.521 3.613 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000603447654 860729365 /nfs/dbraw/zinc/72/93/65/860729365.db2.gz GNBULFQDBPDOMJ-UHFFFAOYSA-N 1 2 388.298 3.752 20 30 GHEDLO CCN(CC)S(=O)(=O)c1ccc(C(C)=NNc2cc[nH+]c3ccccc23)cc1 ZINC000730147537 860896885 /nfs/dbraw/zinc/89/68/85/860896885.db2.gz QCKQDNHYUSQFGQ-UHFFFAOYSA-N 1 2 396.516 3.523 20 30 GHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000730278892 860998395 /nfs/dbraw/zinc/99/83/95/860998395.db2.gz GLTUXAPZTFNMTQ-IBGZPJMESA-N 1 2 381.863 3.628 20 30 GHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000730278892 860998409 /nfs/dbraw/zinc/99/84/09/860998409.db2.gz GLTUXAPZTFNMTQ-IBGZPJMESA-N 1 2 381.863 3.628 20 30 GHEDLO CC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000329109576 861025999 /nfs/dbraw/zinc/02/59/99/861025999.db2.gz PXHRSTGXIPFNDQ-KZNAEPCWSA-N 1 2 381.879 3.582 20 30 GHEDLO CC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000329109576 861026005 /nfs/dbraw/zinc/02/60/05/861026005.db2.gz PXHRSTGXIPFNDQ-KZNAEPCWSA-N 1 2 381.879 3.582 20 30 GHEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=S)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000734100232 863980776 /nfs/dbraw/zinc/98/07/76/863980776.db2.gz WMBVJLBJWFZFNT-CQSZACIVSA-N 1 2 385.924 3.682 20 30 GHEDLO CC(C)COC[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccco1 ZINC000184165611 864154757 /nfs/dbraw/zinc/15/47/57/864154757.db2.gz LIUMNVLTMWKXIW-UXHICEINSA-N 1 2 381.476 3.650 20 30 GHEDLO C=CCOc1cc(OC)ccc1C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000132865889 881764705 /nfs/dbraw/zinc/76/47/05/881764705.db2.gz DDCOEYMXCZRZGF-UHFFFAOYSA-N 1 2 396.487 3.653 20 30 GHEDLO Cc1cccc(C(C)(C)CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000063336385 864546464 /nfs/dbraw/zinc/54/64/64/864546464.db2.gz KHDDCQTTWDQLSC-UHFFFAOYSA-N 1 2 390.531 3.672 20 30 GHEDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H](C)c1ccccc1 ZINC000475274896 864678169 /nfs/dbraw/zinc/67/81/69/864678169.db2.gz DRJPGSYZTLVBOR-RTBURBONSA-N 1 2 376.504 3.578 20 30 GHEDLO C[C@H](c1nnc(SCCOCCC#N)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000554969030 865271917 /nfs/dbraw/zinc/27/19/17/865271917.db2.gz AYCAVLLUHAKYPZ-CYBMUJFWSA-N 1 2 379.917 3.566 20 30 GHEDLO C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cc[nH+]c(N)c1 ZINC000193060948 865419590 /nfs/dbraw/zinc/41/95/90/865419590.db2.gz MPWRJBHDTREKJN-UHFFFAOYSA-N 1 2 387.896 3.966 20 30 GHEDLO COc1ccc2nc(C[N@@H+]3CCCN(Cc4ccc(C#N)cc4)CC3)sc2c1 ZINC000186445093 865724120 /nfs/dbraw/zinc/72/41/20/865724120.db2.gz ZLINZSUKYGRLCB-UHFFFAOYSA-N 1 2 392.528 3.884 20 30 GHEDLO COc1ccc2nc(C[N@H+]3CCCN(Cc4ccc(C#N)cc4)CC3)sc2c1 ZINC000186445093 865724127 /nfs/dbraw/zinc/72/41/27/865724127.db2.gz ZLINZSUKYGRLCB-UHFFFAOYSA-N 1 2 392.528 3.884 20 30 GHEDLO O=C(C[NH+]1CCC(C(F)(F)F)CC1)NCc1ccc(F)cc1C(F)(F)F ZINC000173773372 865838875 /nfs/dbraw/zinc/83/88/75/865838875.db2.gz ORUXMRFLUHWNKD-UHFFFAOYSA-N 1 2 386.311 3.735 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1C ZINC000740880616 866065565 /nfs/dbraw/zinc/06/55/65/866065565.db2.gz ZBHVORXZRCFISL-KXBFYZLASA-N 1 2 389.540 3.709 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1C ZINC000740880616 866065581 /nfs/dbraw/zinc/06/55/81/866065581.db2.gz ZBHVORXZRCFISL-KXBFYZLASA-N 1 2 389.540 3.709 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1C ZINC000740880615 866065992 /nfs/dbraw/zinc/06/59/92/866065992.db2.gz ZBHVORXZRCFISL-HNAYVOBHSA-N 1 2 389.540 3.709 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1C ZINC000740880615 866066009 /nfs/dbraw/zinc/06/60/09/866066009.db2.gz ZBHVORXZRCFISL-HNAYVOBHSA-N 1 2 389.540 3.709 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186671703 866581831 /nfs/dbraw/zinc/58/18/31/866581831.db2.gz ONXFSCGGECOZHX-JLCFBVMHSA-N 1 2 393.512 3.567 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186671703 866581841 /nfs/dbraw/zinc/58/18/41/866581841.db2.gz ONXFSCGGECOZHX-JLCFBVMHSA-N 1 2 393.512 3.567 20 30 GHEDLO CN(C)c1ccc([NH+]2CCC(NC(=S)Nc3ccccc3C#N)CC2)cc1 ZINC000741861782 866856090 /nfs/dbraw/zinc/85/60/90/866856090.db2.gz LGGIQUCOAISUSM-UHFFFAOYSA-N 1 2 379.533 3.580 20 30 GHEDLO CC[C@@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)CCN1Cc1ccccc1 ZINC000183745955 867668530 /nfs/dbraw/zinc/66/85/30/867668530.db2.gz QRNTYUMOEXLBBL-LJQANCHMSA-N 1 2 382.533 3.545 20 30 GHEDLO CC[C@@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)CCN1Cc1ccccc1 ZINC000183745955 867668545 /nfs/dbraw/zinc/66/85/45/867668545.db2.gz QRNTYUMOEXLBBL-LJQANCHMSA-N 1 2 382.533 3.545 20 30 GHEDLO C#CCOc1ccc(F)cc1NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000743202823 867954142 /nfs/dbraw/zinc/95/41/42/867954142.db2.gz QGHIZPKLQQPOMQ-GOSISDBHSA-N 1 2 392.434 3.677 20 30 GHEDLO C=CCOc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cc1OC ZINC000156574474 868403667 /nfs/dbraw/zinc/40/36/67/868403667.db2.gz FWRUEIHEERRCNG-INIZCTEOSA-N 1 2 386.517 3.841 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCCc3ccc(F)c(F)c3)CC2)cc1 ZINC000445644249 868772251 /nfs/dbraw/zinc/77/22/51/868772251.db2.gz FOVZMQXPXSOCKH-UHFFFAOYSA-N 1 2 383.442 3.504 20 30 GHEDLO CC(C)C[N@H+](Cc1ccccc1F)Cc1nc2ccccc2c(=O)n1CC#N ZINC000744392359 868786633 /nfs/dbraw/zinc/78/66/33/868786633.db2.gz ZSLJWXMZZCMGCY-UHFFFAOYSA-N 1 2 378.451 3.717 20 30 GHEDLO CC(C)C[N@@H+](Cc1ccccc1F)Cc1nc2ccccc2c(=O)n1CC#N ZINC000744392359 868786638 /nfs/dbraw/zinc/78/66/38/868786638.db2.gz ZSLJWXMZZCMGCY-UHFFFAOYSA-N 1 2 378.451 3.717 20 30 GHEDLO C=CC[C@H](NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccncc1 ZINC000745828286 869850210 /nfs/dbraw/zinc/85/02/10/869850210.db2.gz RDPXWWJNMFHFFS-VQTJNVASSA-N 1 2 375.476 3.716 20 30 GHEDLO Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000539829290 869864705 /nfs/dbraw/zinc/86/47/05/869864705.db2.gz MOSWOMGHZRTYNZ-FUHWJXTLSA-N 1 2 392.425 3.941 20 30 GHEDLO Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000539829290 869864722 /nfs/dbraw/zinc/86/47/22/869864722.db2.gz MOSWOMGHZRTYNZ-FUHWJXTLSA-N 1 2 392.425 3.941 20 30 GHEDLO C=CC[N@@H+](CCOC)CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000191142269 882367601 /nfs/dbraw/zinc/36/76/01/882367601.db2.gz HZGKGVAVVPJRBJ-INIZCTEOSA-N 1 2 389.546 3.622 20 30 GHEDLO C=CC[N@H+](CCOC)CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000191142269 882367617 /nfs/dbraw/zinc/36/76/17/882367617.db2.gz HZGKGVAVVPJRBJ-INIZCTEOSA-N 1 2 389.546 3.622 20 30 GHEDLO C=CCOc1ccc(/C=C\C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1OC ZINC000920768868 882370721 /nfs/dbraw/zinc/37/07/21/882370721.db2.gz WDPJOKDURQYUQV-WSCHBXBGSA-N 1 2 383.492 3.701 20 30 GHEDLO Cc1ncc(C(=O)N2CC[NH+](Cc3ccc(C(C)(C)C)cc3)CC2)cc1C#N ZINC001192290254 870267511 /nfs/dbraw/zinc/26/75/11/870267511.db2.gz YAISBTATZJTOSM-UHFFFAOYSA-N 1 2 376.504 3.517 20 30 GHEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(Br)c(F)c3)C2)nc1 ZINC000428801510 870358743 /nfs/dbraw/zinc/35/87/43/870358743.db2.gz HUGIGERRMFZRND-AWEZNQCLSA-N 1 2 376.229 3.508 20 30 GHEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(Br)c(F)c3)C2)nc1 ZINC000428801510 870358756 /nfs/dbraw/zinc/35/87/56/870358756.db2.gz HUGIGERRMFZRND-AWEZNQCLSA-N 1 2 376.229 3.508 20 30 GHEDLO COCCOc1ccccc1C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000446909962 870698492 /nfs/dbraw/zinc/69/84/92/870698492.db2.gz FRBVJPACVRAGIP-UHFFFAOYSA-N 1 2 385.895 3.559 20 30 GHEDLO Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(NCCC(=O)Nc2ccccc2)[nH+]1 ZINC001168976537 871050075 /nfs/dbraw/zinc/05/00/75/871050075.db2.gz YSUFRQPCQVMMDP-QNLDRXPYSA-N 1 2 386.521 3.712 20 30 GHEDLO N#Cc1c2c(cn(C[N@@H+](Cc3cccc(Br)c3)C3CC3)c1=O)CCC2 ZINC000766613373 871271341 /nfs/dbraw/zinc/27/13/41/871271341.db2.gz UUQQITISKQGNIC-UHFFFAOYSA-N 1 2 398.304 3.593 20 30 GHEDLO N#Cc1c2c(cn(C[N@H+](Cc3cccc(Br)c3)C3CC3)c1=O)CCC2 ZINC000766613373 871271356 /nfs/dbraw/zinc/27/13/56/871271356.db2.gz UUQQITISKQGNIC-UHFFFAOYSA-N 1 2 398.304 3.593 20 30 GHEDLO N#Cc1c2c(cn(C[N@H+]3CCC[C@@H](COc4ccccc4Cl)C3)c1=O)CCC2 ZINC000766633135 871332618 /nfs/dbraw/zinc/33/26/18/871332618.db2.gz PEMOYFIUFYDBEI-MRXNPFEDSA-N 1 2 397.906 3.611 20 30 GHEDLO N#Cc1c2c(cn(C[N@@H+]3CCC[C@@H](COc4ccccc4Cl)C3)c1=O)CCC2 ZINC000766633135 871332638 /nfs/dbraw/zinc/33/26/38/871332638.db2.gz PEMOYFIUFYDBEI-MRXNPFEDSA-N 1 2 397.906 3.611 20 30 GHEDLO N#CCCCC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000461958169 871344083 /nfs/dbraw/zinc/34/40/83/871344083.db2.gz QGVIPBUQMOAYFK-UHFFFAOYSA-N 1 2 398.488 3.661 20 30 GHEDLO C[C@H](CCc1ccccc1F)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000463284850 871375445 /nfs/dbraw/zinc/37/54/45/871375445.db2.gz XDCUQEIZVOFNOO-GOSISDBHSA-N 1 2 379.479 3.610 20 30 GHEDLO COC(=O)c1cc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)ccc1C ZINC001193899184 871386883 /nfs/dbraw/zinc/38/68/83/871386883.db2.gz XKSUPBHLWZBAIB-UHFFFAOYSA-N 1 2 383.879 3.629 20 30 GHEDLO CCCCCCCOC(=O)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001193995727 871452143 /nfs/dbraw/zinc/45/21/43/871452143.db2.gz WIRCKJWAIHZTOR-GOSISDBHSA-N 1 2 386.496 3.896 20 30 GHEDLO N#CCCN(CCC#N)C(=O)C[NH+]1CCC(c2cccc(Cl)c2Cl)CC1 ZINC000463371674 871518155 /nfs/dbraw/zinc/51/81/55/871518155.db2.gz VUNNRJQSRZGBTL-UHFFFAOYSA-N 1 2 393.318 3.829 20 30 GHEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](CCCc2c(F)cccc2Cl)CC1 ZINC000618593606 871738075 /nfs/dbraw/zinc/73/80/75/871738075.db2.gz TZTFCHRPJOZILU-UHFFFAOYSA-N 1 2 388.874 3.971 20 30 GHEDLO C[C@H](C#N)c1ccc(NC(=O)c2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cc1 ZINC001194678826 871884402 /nfs/dbraw/zinc/88/44/02/871884402.db2.gz YNTOUDGVDVZMCE-OAHLLOKOSA-N 1 2 382.895 3.971 20 30 GHEDLO Cc1cc(C)c(NC(=O)[C@@H](C)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000022848546 872640690 /nfs/dbraw/zinc/64/06/90/872640690.db2.gz GXJXKHMLSZQAFX-HXUWFJFHSA-N 1 2 390.531 3.628 20 30 GHEDLO C[C@@](O)(C1CC[NH+](Cc2cc(Cl)ccc2OCC#N)CC1)C(F)(F)F ZINC000767918527 872936850 /nfs/dbraw/zinc/93/68/50/872936850.db2.gz MYHZOZPPAGRNQY-MRXNPFEDSA-N 1 2 376.806 3.768 20 30 GHEDLO N#Cc1ccc(CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)cc1Cl ZINC000619763357 872976583 /nfs/dbraw/zinc/97/65/83/872976583.db2.gz ZUANUSDLPHQPNN-IBGZPJMESA-N 1 2 385.920 3.618 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(Cc3ccc(CSC(F)F)o3)CC2)cc1 ZINC000768184500 873152183 /nfs/dbraw/zinc/15/21/83/873152183.db2.gz JQMAKUVQHVSQRG-UHFFFAOYSA-N 1 2 377.460 3.925 20 30 GHEDLO Cn1cc([C@@H]([NH2+]Cc2cc(Cl)ccc2OCC#N)c2ccc(F)cc2)cn1 ZINC000775753094 873500221 /nfs/dbraw/zinc/50/02/21/873500221.db2.gz NUXBDRKVNHULKP-FQEVSTJZSA-N 1 2 384.842 3.994 20 30 GHEDLO C[N@H+](CCc1ccccc1O)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000541391386 873503323 /nfs/dbraw/zinc/50/33/23/873503323.db2.gz VTOORVOVDPWNFK-UHFFFAOYSA-N 1 2 383.517 3.707 20 30 GHEDLO C[N@@H+](CCc1ccccc1O)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000541391386 873503331 /nfs/dbraw/zinc/50/33/31/873503331.db2.gz VTOORVOVDPWNFK-UHFFFAOYSA-N 1 2 383.517 3.707 20 30 GHEDLO C=CCOC(=O)[C@@H](Cc1ccc(OC(C)(C)C)cc1)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC001168101284 873851971 /nfs/dbraw/zinc/85/19/71/873851971.db2.gz IFIBFVVPPXHEJG-YVWKXTFCSA-N 1 2 375.509 3.661 20 30 GHEDLO C#C[C@@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccc(Cl)cc1F ZINC000804421835 882831682 /nfs/dbraw/zinc/83/16/82/882831682.db2.gz UNPXBLPQPDVTGQ-HXUWFJFHSA-N 1 2 381.838 3.757 20 30 GHEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[NH+]1CCC(c2ccc(N(C)C)cc2)CC1 ZINC000775886913 874578580 /nfs/dbraw/zinc/57/85/80/874578580.db2.gz KFQLFSVMOLMXGX-QFIPXVFZSA-N 1 2 377.488 3.718 20 30 GHEDLO Cc1ccc2c(CCC(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)c[nH]c2c1 ZINC000465049075 874991017 /nfs/dbraw/zinc/99/10/17/874991017.db2.gz NMHNWBPFDPSHAL-UHFFFAOYSA-N 1 2 386.499 3.625 20 30 GHEDLO C[C@H](C#N)CN[NH+]=CC1=C(N2CCOCC2)/C(=C/c2ccc(Cl)cc2)CC1 ZINC000771097757 875037743 /nfs/dbraw/zinc/03/77/43/875037743.db2.gz JAOQZRMJXIOYNT-JNQVVXQMSA-N 1 2 384.911 3.839 20 30 GHEDLO CCOC(=O)[C@@H](c1ccc(Cl)cc1)[N@H+](CC)C[C@@H](O)c1ccc(C#N)cc1 ZINC000772297756 875852890 /nfs/dbraw/zinc/85/28/90/875852890.db2.gz LZWNNKAOFINORB-WOJBJXKFSA-N 1 2 386.879 3.871 20 30 GHEDLO CCOC(=O)[C@@H](c1ccc(Cl)cc1)[N@@H+](CC)C[C@@H](O)c1ccc(C#N)cc1 ZINC000772297756 875852898 /nfs/dbraw/zinc/85/28/98/875852898.db2.gz LZWNNKAOFINORB-WOJBJXKFSA-N 1 2 386.879 3.871 20 30 GHEDLO C[C@H]1CCCC[C@H]1NC(=O)CO[NH+]=C(N)c1ccc(OCc2ccccc2)cc1 ZINC000109148681 876391391 /nfs/dbraw/zinc/39/13/91/876391391.db2.gz XLVLHDLFFFQNLF-LAUBAEHRSA-N 1 2 395.503 3.597 20 30 GHEDLO CCCCCCCCC[NH+]1CC2(C1)CN(Cc1csc(C)n1)C(=O)CO2 ZINC001275119430 912356995 /nfs/dbraw/zinc/35/69/95/912356995.db2.gz RVJAEPPCIQVOKV-UHFFFAOYSA-N 1 2 379.570 3.615 20 30 GHEDLO C=CC[C@H](NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccncc1 ZINC000789025351 878549570 /nfs/dbraw/zinc/54/95/70/878549570.db2.gz GQYRZTBEFIIMJM-FQEVSTJZSA-N 1 2 379.508 3.821 20 30 GHEDLO CC/C(=C/C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(OC)cc1 ZINC000746805601 878875437 /nfs/dbraw/zinc/87/54/37/878875437.db2.gz ARLUQKUZEOASJI-PGMHBOJBSA-N 1 2 389.499 3.705 20 30 GHEDLO N#Cc1ccc(Br)c(N[NH+]=Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000853395797 879002139 /nfs/dbraw/zinc/00/21/39/879002139.db2.gz LYKVENWHNFJNAE-UHFFFAOYSA-N 1 2 399.292 3.728 20 30 GHEDLO C#CCCCOc1ccc[nH+]c1NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000853680529 879218886 /nfs/dbraw/zinc/21/88/86/879218886.db2.gz GOJBBKMYHFVXDH-UHFFFAOYSA-N 1 2 387.430 3.601 20 30 GHEDLO N#C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000531354620 879683852 /nfs/dbraw/zinc/68/38/52/879683852.db2.gz IBCSDKRZGRYEBR-QGZVFWFLSA-N 1 2 386.333 3.766 20 30 GHEDLO N#Cc1ccc(N2C(=O)C[C@@H]([N@@H+]3CC=C(c4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC000531441799 879860773 /nfs/dbraw/zinc/86/07/73/879860773.db2.gz BAHPZKFXAWMMGT-HXUWFJFHSA-N 1 2 391.858 3.633 20 30 GHEDLO N#Cc1ccc(N2C(=O)C[C@@H]([N@H+]3CC=C(c4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC000531441799 879860788 /nfs/dbraw/zinc/86/07/88/879860788.db2.gz BAHPZKFXAWMMGT-HXUWFJFHSA-N 1 2 391.858 3.633 20 30 GHEDLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000791416293 880396506 /nfs/dbraw/zinc/39/65/06/880396506.db2.gz CZVLQIKOHBZRAQ-UHFFFAOYSA-N 1 2 375.428 3.953 20 30 GHEDLO CC[C@@H](C#N)Oc1cc(CNc2cc(N3CCCCC3)nc[nH+]2)ccc1OC ZINC000113248015 880465381 /nfs/dbraw/zinc/46/53/81/880465381.db2.gz ALQGKVUCVQNNDR-KRWDZBQOSA-N 1 2 381.480 3.769 20 30 GHEDLO CC[C@@H](C#N)Oc1cc(CNc2cc(N3CCCCC3)[nH+]cn2)ccc1OC ZINC000113248015 880465383 /nfs/dbraw/zinc/46/53/83/880465383.db2.gz ALQGKVUCVQNNDR-KRWDZBQOSA-N 1 2 381.480 3.769 20 30 GHEDLO C[C@H]1C(=O)N(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)[C@H]1c1ccccc1 ZINC000795713080 912639512 /nfs/dbraw/zinc/63/95/12/912639512.db2.gz BDPMUWHSNFNZEG-OPAMFIHVSA-N 1 2 393.462 3.718 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494243662 881282624 /nfs/dbraw/zinc/28/26/24/881282624.db2.gz BUUUQCBJRQFKJV-GFCCVEGCSA-N 1 2 390.256 3.919 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494243662 881282659 /nfs/dbraw/zinc/28/26/59/881282659.db2.gz BUUUQCBJRQFKJV-GFCCVEGCSA-N 1 2 390.256 3.919 20 30 GHEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000183384355 883263926 /nfs/dbraw/zinc/26/39/26/883263926.db2.gz XDEIMTINEHMKCY-QGZVFWFLSA-N 1 2 385.464 3.533 20 30 GHEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000183384355 883263943 /nfs/dbraw/zinc/26/39/43/883263943.db2.gz XDEIMTINEHMKCY-QGZVFWFLSA-N 1 2 385.464 3.533 20 30 GHEDLO C=CC[N@@H+](Cc1ccc(OC)cc1)CN1C[C@@H](c2cccc(OC)c2)CC1=O ZINC000760530806 883445458 /nfs/dbraw/zinc/44/54/58/883445458.db2.gz KUJIYCLBLILTDB-FQEVSTJZSA-N 1 2 380.488 3.665 20 30 GHEDLO C=CC[N@H+](Cc1ccc(OC)cc1)CN1C[C@@H](c2cccc(OC)c2)CC1=O ZINC000760530806 883445468 /nfs/dbraw/zinc/44/54/68/883445468.db2.gz KUJIYCLBLILTDB-FQEVSTJZSA-N 1 2 380.488 3.665 20 30 GHEDLO N#Cc1cccc(OCc2cccc(C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)c2)c1 ZINC000609662026 883503718 /nfs/dbraw/zinc/50/37/18/883503718.db2.gz LITIIXIIMWPTPD-NRFANRHFSA-N 1 2 386.455 3.811 20 30 GHEDLO Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCN(c3ccccc3C)CC2)c1C ZINC000195662147 883549272 /nfs/dbraw/zinc/54/92/72/883549272.db2.gz AKZPEYGUDMSSTO-UHFFFAOYSA-N 1 2 390.531 3.681 20 30 GHEDLO C#C[C@@H](NC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccc(Cl)cc1F ZINC000805775509 884056429 /nfs/dbraw/zinc/05/64/29/884056429.db2.gz HIHABZKVKDZMLY-GOSISDBHSA-N 1 2 391.899 3.742 20 30 GHEDLO C[N@H+](Cc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1)Cc1cc(C#N)cs1 ZINC000897624731 884187867 /nfs/dbraw/zinc/18/78/67/884187867.db2.gz WOGNRCGBURKDBE-UHFFFAOYSA-N 1 2 388.493 3.574 20 30 GHEDLO C[N@@H+](Cc1cc(C2CN(C(=O)OC(C)(C)C)C2)no1)Cc1cc(C#N)cs1 ZINC000897624731 884187876 /nfs/dbraw/zinc/18/78/76/884187876.db2.gz WOGNRCGBURKDBE-UHFFFAOYSA-N 1 2 388.493 3.574 20 30 GHEDLO Cn1cc(N[NH+]=CC2=C(N3CCOCC3)C(=Cc3ccc(Cl)cc3)CC2)cn1 ZINC000761864327 884897110 /nfs/dbraw/zinc/89/71/10/884897110.db2.gz HTGPWTWPRMSBKW-ZBGXONSYSA-N 1 2 397.910 3.935 20 30 GHEDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000495428539 885742948 /nfs/dbraw/zinc/74/29/48/885742948.db2.gz XTUDOOMGMVJXAK-CQSZACIVSA-N 1 2 393.403 3.598 20 30 GHEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000055083274 885991292 /nfs/dbraw/zinc/99/12/92/885991292.db2.gz HHHXRMDAVRIEHR-UHFFFAOYSA-N 1 2 393.535 3.572 20 30 GHEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000055083274 885991300 /nfs/dbraw/zinc/99/13/00/885991300.db2.gz HHHXRMDAVRIEHR-UHFFFAOYSA-N 1 2 393.535 3.572 20 30 GHEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 ZINC000125944699 886915987 /nfs/dbraw/zinc/91/59/87/886915987.db2.gz ULPNRRROTAHZBY-HXUWFJFHSA-N 1 2 399.498 3.702 20 30 GHEDLO FC(F)(F)CCN[NH+]=Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000794545295 887270934 /nfs/dbraw/zinc/27/09/34/887270934.db2.gz KDFPDJLJAJDKGW-UHFFFAOYSA-N 1 2 384.427 3.523 20 30 GHEDLO C[C@H]([C@H](C)NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)[NH+]1CCOCC1 ZINC000105039175 887293948 /nfs/dbraw/zinc/29/39/48/887293948.db2.gz PPJWSAZVAGTOFZ-DLBZAZTESA-N 1 2 394.475 3.581 20 30 GHEDLO N#Cc1cc(F)c(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c(F)c1 ZINC000153311580 887587888 /nfs/dbraw/zinc/58/78/88/887587888.db2.gz KCKUKOUNSRAMJY-UHFFFAOYSA-N 1 2 389.833 3.838 20 30 GHEDLO N#Cc1cc(F)c(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c(F)c1 ZINC000153311580 887587896 /nfs/dbraw/zinc/58/78/96/887587896.db2.gz KCKUKOUNSRAMJY-UHFFFAOYSA-N 1 2 389.833 3.838 20 30 GHEDLO Cc1c(C(=O)/C=C/c2ncc(C[NH+](C)C)s2)nnn1-c1ccc(Cl)cc1 ZINC000794706796 887917737 /nfs/dbraw/zinc/91/77/37/887917737.db2.gz IBDKDLMJPUGHQE-CMDGGOBGSA-N 1 2 387.896 3.643 20 30 GHEDLO C[C@H](O[NH+]=C(N)c1ccc(CNC(=O)OC(C)(C)C)cc1)c1ccc(C#N)cc1 ZINC000794722511 887933206 /nfs/dbraw/zinc/93/32/06/887933206.db2.gz VNDFOABLORPKGU-HNNXBMFYSA-N 1 2 394.475 3.981 20 30 GHEDLO CC[C@@H](C)c1ccc(NC(=O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000794832810 888282848 /nfs/dbraw/zinc/28/28/48/888282848.db2.gz NGONYXINVKKCBJ-UZLBHIALSA-N 1 2 378.476 3.559 20 30 GHEDLO CC[C@@H](C)c1ccc(NC(=O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000794832810 888282850 /nfs/dbraw/zinc/28/28/50/888282850.db2.gz NGONYXINVKKCBJ-UZLBHIALSA-N 1 2 378.476 3.559 20 30 GHEDLO C=CC[N@H+](CC(=O)Nc1ccc(OC(F)F)cc1)Cc1ccc(OC)cc1 ZINC000532925261 889292355 /nfs/dbraw/zinc/29/23/55/889292355.db2.gz OCUUUERIKJNIIL-UHFFFAOYSA-N 1 2 376.403 3.923 20 30 GHEDLO C=CC[N@@H+](CC(=O)Nc1ccc(OC(F)F)cc1)Cc1ccc(OC)cc1 ZINC000532925261 889292368 /nfs/dbraw/zinc/29/23/68/889292368.db2.gz OCUUUERIKJNIIL-UHFFFAOYSA-N 1 2 376.403 3.923 20 30 GHEDLO N#Cc1cccc(OCCC[N@@H+]2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)c1 ZINC000287460437 913352253 /nfs/dbraw/zinc/35/22/53/913352253.db2.gz REXUVBBEAVBBRV-RBUKOAKNSA-N 1 2 382.464 3.789 20 30 GHEDLO N#Cc1cccc(OCCC[N@H+]2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)c1 ZINC000287460437 913352270 /nfs/dbraw/zinc/35/22/70/913352270.db2.gz REXUVBBEAVBBRV-RBUKOAKNSA-N 1 2 382.464 3.789 20 30 GHEDLO C=CC[N@@H+](CC(=O)NC(=O)Nc1cccc(C)c1C)Cc1cccc(C#N)c1 ZINC000063300452 889563298 /nfs/dbraw/zinc/56/32/98/889563298.db2.gz ARJUVQXPSOUGTR-UHFFFAOYSA-N 1 2 376.460 3.511 20 30 GHEDLO C=CC[N@H+](CC(=O)NC(=O)Nc1cccc(C)c1C)Cc1cccc(C#N)c1 ZINC000063300452 889563305 /nfs/dbraw/zinc/56/33/05/889563305.db2.gz ARJUVQXPSOUGTR-UHFFFAOYSA-N 1 2 376.460 3.511 20 30 GHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N(C)Cc2cccc(C#N)c2)c(C)c1 ZINC000533084508 889669574 /nfs/dbraw/zinc/66/95/74/889669574.db2.gz LYWHMSDGGUGPFT-QFIPXVFZSA-N 1 2 387.487 3.955 20 30 GHEDLO CN1CC[NH+](Cc2cccc(NC(=O)C(C)(C)Cc3ccc(C#N)cc3)c2)CC1 ZINC000454993988 890103163 /nfs/dbraw/zinc/10/31/63/890103163.db2.gz DGACWPBKQYUHHY-UHFFFAOYSA-N 1 2 390.531 3.513 20 30 GHEDLO CC1CCC(OC2CC[NH+]([C@H]3CCN(c4sccc4C#N)C3=O)CC2)CC1 ZINC000533283262 890185290 /nfs/dbraw/zinc/18/52/90/890185290.db2.gz WCJYQGQJHHNZTC-KVWWFHCMSA-N 1 2 387.549 3.785 20 30 GHEDLO C=CCOC[C@H]1C[N@@H+](Cc2c[nH]c3c2cccc3F)Cc2nnn(CC3CC3)c21 ZINC001137053954 890395621 /nfs/dbraw/zinc/39/56/21/890395621.db2.gz LCYQPHLHUNFBAM-QGZVFWFLSA-N 1 2 395.482 3.611 20 30 GHEDLO C=CCOC[C@H]1C[N@H+](Cc2c[nH]c3c2cccc3F)Cc2nnn(CC3CC3)c21 ZINC001137053954 890395632 /nfs/dbraw/zinc/39/56/32/890395632.db2.gz LCYQPHLHUNFBAM-QGZVFWFLSA-N 1 2 395.482 3.611 20 30 GHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1=S ZINC000747833489 891214959 /nfs/dbraw/zinc/21/49/59/891214959.db2.gz XCDMEMBQKAQEIK-RBUKOAKNSA-N 1 2 399.564 3.758 20 30 GHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1=S ZINC000747833489 891214964 /nfs/dbraw/zinc/21/49/64/891214964.db2.gz XCDMEMBQKAQEIK-RBUKOAKNSA-N 1 2 399.564 3.758 20 30 GHEDLO C#CCOc1cccc(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)c1 ZINC000124635547 891759660 /nfs/dbraw/zinc/75/96/60/891759660.db2.gz BFETZEPLXFFYGM-FCHUYYIVSA-N 1 2 386.455 3.945 20 30 GHEDLO C=CCOc1ccc(-c2nn(C[N@H+](C)CC3CCOCC3)c(=S)o2)cc1 ZINC000124735151 891892900 /nfs/dbraw/zinc/89/29/00/891892900.db2.gz VBNCQMQFNWMCHW-UHFFFAOYSA-N 1 2 375.494 3.753 20 30 GHEDLO C=CCOc1ccc(-c2nn(C[N@@H+](C)CC3CCOCC3)c(=S)o2)cc1 ZINC000124735151 891892908 /nfs/dbraw/zinc/89/29/08/891892908.db2.gz VBNCQMQFNWMCHW-UHFFFAOYSA-N 1 2 375.494 3.753 20 30 GHEDLO N#Cc1ccc(S(=O)(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc1F ZINC000813702854 891914783 /nfs/dbraw/zinc/91/47/83/891914783.db2.gz MXEFYTABKFRUDC-UHFFFAOYSA-N 1 2 397.431 3.665 20 30 GHEDLO N#CCCCn1cc(C(=O)N2CC[NH2+][C@@H](c3ccc(F)cc3)C2)c2ccccc21 ZINC000874891384 892366652 /nfs/dbraw/zinc/36/66/52/892366652.db2.gz MXFUEKNCGAZRRF-OAQYLSRUSA-N 1 2 390.462 3.871 20 30 GHEDLO Cn1nccc1[C@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCO1 ZINC000933539724 893066901 /nfs/dbraw/zinc/06/69/01/893066901.db2.gz UBEPZLMDRXQPCZ-HSZRJFAPSA-N 1 2 386.499 3.693 20 30 GHEDLO Cn1nccc1[C@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCO1 ZINC000933539724 893066921 /nfs/dbraw/zinc/06/69/21/893066921.db2.gz UBEPZLMDRXQPCZ-HSZRJFAPSA-N 1 2 386.499 3.693 20 30 GHEDLO N#Cc1ccc([C@@H]2C[N@H+](Cc3cccc(C(=O)N4CCCCC4)c3)CCO2)cc1 ZINC000933625260 893107640 /nfs/dbraw/zinc/10/76/40/893107640.db2.gz QWDVWMHAXQBOOI-QHCPKHFHSA-N 1 2 389.499 3.758 20 30 GHEDLO N#Cc1ccc([C@@H]2C[N@@H+](Cc3cccc(C(=O)N4CCCCC4)c3)CCO2)cc1 ZINC000933625260 893107644 /nfs/dbraw/zinc/10/76/44/893107644.db2.gz QWDVWMHAXQBOOI-QHCPKHFHSA-N 1 2 389.499 3.758 20 30 GHEDLO CC(=[NH+]Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1cc(F)c(N)c(F)c1 ZINC000814800553 893183898 /nfs/dbraw/zinc/18/38/98/893183898.db2.gz CJOLCYMURPUGCG-UHFFFAOYSA-N 1 2 393.337 3.677 20 30 GHEDLO N#CCc1ccc(NC(=O)NCc2ccccc2C[NH+]2CCOCC2)c(Cl)c1 ZINC000455749776 893199818 /nfs/dbraw/zinc/19/98/18/893199818.db2.gz KPVVWLJLSAQGII-UHFFFAOYSA-N 1 2 398.894 3.560 20 30 GHEDLO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1[nH]nc(-c2ccc(Br)cc2)c1CC ZINC000876659460 893277653 /nfs/dbraw/zinc/27/76/53/893277653.db2.gz XVOZFCAVEHQDTB-CYBMUJFWSA-N 1 2 397.704 3.810 20 30 GHEDLO CC(C)(C)OC(=O)NCC[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)C(F)F ZINC000826047891 894362215 /nfs/dbraw/zinc/36/22/15/894362215.db2.gz CSRXSKYSYXRTEH-MRXNPFEDSA-N 1 2 379.451 3.880 20 30 GHEDLO CC[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1cccc(OC)c1OC ZINC000879464985 895074121 /nfs/dbraw/zinc/07/41/21/895074121.db2.gz YSNLOEQZENJZHF-QGZVFWFLSA-N 1 2 378.432 3.866 20 30 GHEDLO CCN(c1ccccc1)S(=O)(=O)c1ccc(NNC=CC(F)(F)F)[nH+]c1 ZINC000817323094 895509667 /nfs/dbraw/zinc/50/96/67/895509667.db2.gz RORVWOLMUCBNPJ-UHFFFAOYSA-N 1 2 386.399 3.647 20 30 GHEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CC[C@@H](OC(C)C)C2)c1C#N ZINC000565653873 895787703 /nfs/dbraw/zinc/78/77/03/895787703.db2.gz FLESMUAROGUEDZ-LJQANCHMSA-N 1 2 398.482 3.543 20 30 GHEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CC[C@@H](OC(C)C)C2)c1C#N ZINC000565653873 895787714 /nfs/dbraw/zinc/78/77/14/895787714.db2.gz FLESMUAROGUEDZ-LJQANCHMSA-N 1 2 398.482 3.543 20 30 GHEDLO CN(C(=O)[C@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)C1)c1ccccc1 ZINC000565908570 895972909 /nfs/dbraw/zinc/97/29/09/895972909.db2.gz BJWZCRKMAOIVRZ-INIZCTEOSA-N 1 2 398.304 3.806 20 30 GHEDLO CN(C(=O)[C@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)C1)c1ccccc1 ZINC000565908570 895972918 /nfs/dbraw/zinc/97/29/18/895972918.db2.gz BJWZCRKMAOIVRZ-INIZCTEOSA-N 1 2 398.304 3.806 20 30 GHEDLO C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)s1 ZINC000819235809 896478660 /nfs/dbraw/zinc/47/86/60/896478660.db2.gz WNUVKKRUEMYKCQ-ZDUSSCGKSA-N 1 2 396.969 3.968 20 30 GHEDLO C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)s1 ZINC000819239354 896484352 /nfs/dbraw/zinc/48/43/52/896484352.db2.gz RWXLJLZWCLTWLB-CQSZACIVSA-N 1 2 396.969 3.899 20 30 GHEDLO Cc1cc(N2CC[NH+]([C@@H](C)c3ccc(Br)cc3)CC2)cc(C#N)n1 ZINC000569030159 898286266 /nfs/dbraw/zinc/28/62/66/898286266.db2.gz FNTJJKZOHSFUPM-HNNXBMFYSA-N 1 2 385.309 3.907 20 30 GHEDLO N#Cc1cccc(OCc2cccc(C(=O)N3CCC(n4cc[nH+]c4)CC3)c2)c1 ZINC000115352346 899182863 /nfs/dbraw/zinc/18/28/63/899182863.db2.gz VKOSBHBNTQYFDA-UHFFFAOYSA-N 1 2 386.455 3.811 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000118859841 899486104 /nfs/dbraw/zinc/48/61/04/899486104.db2.gz FRPAAWURDUILSG-KRWDZBQOSA-N 1 2 399.564 3.955 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000118859841 899486109 /nfs/dbraw/zinc/48/61/09/899486109.db2.gz FRPAAWURDUILSG-KRWDZBQOSA-N 1 2 399.564 3.955 20 30 GHEDLO C[C@@H](c1nc(C(C)(C)C)no1)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000332456806 899684103 /nfs/dbraw/zinc/68/41/03/899684103.db2.gz HNOSDJNVRHJWQS-AWEZNQCLSA-N 1 2 381.480 3.650 20 30 GHEDLO Cc1c(C#N)cccc1NC(=O)N1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000333187299 900020163 /nfs/dbraw/zinc/02/01/63/900020163.db2.gz UQYPMMNWXPWKNJ-SFHVURJKSA-N 1 2 395.532 3.842 20 30 GHEDLO Cc1c(C#N)cccc1NC(=O)N1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000333187299 900020173 /nfs/dbraw/zinc/02/01/73/900020173.db2.gz UQYPMMNWXPWKNJ-SFHVURJKSA-N 1 2 395.532 3.842 20 30 GHEDLO C=CCn1c(-c2ccccc2F)nn(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1=S ZINC000884482402 900125826 /nfs/dbraw/zinc/12/58/26/900125826.db2.gz AVSOSRJETPUXSY-QAPCUYQASA-N 1 2 388.512 3.865 20 30 GHEDLO C=CCn1c(-c2ccccc2F)nn(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1=S ZINC000884482402 900125838 /nfs/dbraw/zinc/12/58/38/900125838.db2.gz AVSOSRJETPUXSY-QAPCUYQASA-N 1 2 388.512 3.865 20 30 GHEDLO CC(C)c1ccc(-c2noc(C[N@H+](C)C[C@@H](O)c3cccc(C#N)c3)n2)cc1 ZINC000844368645 900779920 /nfs/dbraw/zinc/77/99/20/900779920.db2.gz SKVOKWMAYDVNCL-HXUWFJFHSA-N 1 2 376.460 3.897 20 30 GHEDLO CC(C)c1ccc(-c2noc(C[N@@H+](C)C[C@@H](O)c3cccc(C#N)c3)n2)cc1 ZINC000844368645 900779931 /nfs/dbraw/zinc/77/99/31/900779931.db2.gz SKVOKWMAYDVNCL-HXUWFJFHSA-N 1 2 376.460 3.897 20 30 GHEDLO C=CCOc1cc(OC)ccc1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000575055618 901102675 /nfs/dbraw/zinc/10/26/75/901102675.db2.gz ZULBKDOWYLPYCV-UHFFFAOYSA-N 1 2 395.503 3.813 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1[nH]nc3ccc(F)cc31)CC2 ZINC001144193367 901230205 /nfs/dbraw/zinc/23/02/05/901230205.db2.gz WWZMDTAVLLCSJX-UHFFFAOYSA-N 1 2 395.482 3.569 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1[nH]nc3ccc(F)cc31)CC2 ZINC001144193367 901230217 /nfs/dbraw/zinc/23/02/17/901230217.db2.gz WWZMDTAVLLCSJX-UHFFFAOYSA-N 1 2 395.482 3.569 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1n[nH]c3ccc(F)cc31)CC2 ZINC001144193367 901230229 /nfs/dbraw/zinc/23/02/29/901230229.db2.gz WWZMDTAVLLCSJX-UHFFFAOYSA-N 1 2 395.482 3.569 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1n[nH]c3ccc(F)cc31)CC2 ZINC001144193367 901230244 /nfs/dbraw/zinc/23/02/44/901230244.db2.gz WWZMDTAVLLCSJX-UHFFFAOYSA-N 1 2 395.482 3.569 20 30 GHEDLO C=CCC1(O)CC[NH+]([C@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@@H](C)CC4)CC1 ZINC000886757960 901257018 /nfs/dbraw/zinc/25/70/18/901257018.db2.gz WDBMVAUKUQJZBL-UONOGXRCSA-N 1 2 387.549 3.986 20 30 GHEDLO C=CCC1(O)CC[NH+](CC(=O)Nc2cc3oc4ccccc4c3cc2OC)CC1 ZINC000886768470 901260971 /nfs/dbraw/zinc/26/09/71/901260971.db2.gz BJRHONUIDIBDOU-UHFFFAOYSA-N 1 2 394.471 3.936 20 30 GHEDLO N#Cc1cc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1OC(F)(F)F ZINC000282972317 901416044 /nfs/dbraw/zinc/41/60/44/901416044.db2.gz JJYABJUGOLSZJC-NSHDSACASA-N 1 2 379.342 3.591 20 30 GHEDLO CC[C@H](CC#N)[NH2+]CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000577073395 902485686 /nfs/dbraw/zinc/48/56/86/902485686.db2.gz MTFMYCDTADRPMI-SJLPKXTDSA-N 1 2 384.867 3.893 20 30 GHEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000577073394 902485973 /nfs/dbraw/zinc/48/59/73/902485973.db2.gz MTFMYCDTADRPMI-FUHWJXTLSA-N 1 2 384.867 3.893 20 30 GHEDLO C[C@@H](c1cccc(NC(=O)/C=C/c2ccc(OCC#N)cc2)c1)[NH+]1CCOCC1 ZINC000264194708 902909313 /nfs/dbraw/zinc/90/93/13/902909313.db2.gz GQYVRTLKZRUMAS-HKMNZKMDSA-N 1 2 391.471 3.634 20 30 GHEDLO C[C@H](c1cccc(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)c1)[NH+]1CCOCC1 ZINC000264205041 902920336 /nfs/dbraw/zinc/92/03/36/902920336.db2.gz FYDJYRKQXGOOAJ-DLBZAZTESA-N 1 2 378.476 3.834 20 30 GHEDLO N#Cc1cccc(CCNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)c1 ZINC000577808614 903224148 /nfs/dbraw/zinc/22/41/48/903224148.db2.gz YIUKSNCDJXYXGM-VXKWHMMOSA-N 1 2 385.471 3.525 20 30 GHEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)[C@H](C#N)CCc3ccccc3)CC2)cc1 ZINC001147944818 903928891 /nfs/dbraw/zinc/92/88/91/903928891.db2.gz WRWFFGQOKTXFGP-FQEVSTJZSA-N 1 2 390.531 3.610 20 30 GHEDLO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC001171399946 904504164 /nfs/dbraw/zinc/50/41/64/904504164.db2.gz OYKOIPQZPYZKFC-AWEZNQCLSA-N 1 2 376.485 3.974 20 30 GHEDLO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC001171399946 904504177 /nfs/dbraw/zinc/50/41/77/904504177.db2.gz OYKOIPQZPYZKFC-AWEZNQCLSA-N 1 2 376.485 3.974 20 30 GHEDLO C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000889547621 904635422 /nfs/dbraw/zinc/63/54/22/904635422.db2.gz VEYKRLWDYOGFRH-IYARVYRRSA-N 1 2 398.507 3.678 20 30 GHEDLO C[N@@H+](Cc1cccc(C#N)c1)CN1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000773295122 904691060 /nfs/dbraw/zinc/69/10/60/904691060.db2.gz VQDPQZWPGOLJMF-UHFFFAOYSA-N 1 2 388.393 3.909 20 30 GHEDLO C[N@H+](Cc1cccc(C#N)c1)CN1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000773295122 904691071 /nfs/dbraw/zinc/69/10/71/904691071.db2.gz VQDPQZWPGOLJMF-UHFFFAOYSA-N 1 2 388.393 3.909 20 30 GHEDLO COc1ccc(Cl)c2c1CCC[C@@H]2[N@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC001171694359 904967971 /nfs/dbraw/zinc/96/79/71/904967971.db2.gz QTLNKZDSWWDXDA-IBGZPJMESA-N 1 2 397.906 3.846 20 30 GHEDLO COc1ccc(Cl)c2c1CCC[C@@H]2[N@@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC001171694359 904967983 /nfs/dbraw/zinc/96/79/83/904967983.db2.gz QTLNKZDSWWDXDA-IBGZPJMESA-N 1 2 397.906 3.846 20 30 GHEDLO CC[C@@H](C#N)[NH2+]C1CCC(C(=O)OC)(c2ccc(Br)cc2)CC1 ZINC001172144264 905350418 /nfs/dbraw/zinc/35/04/18/905350418.db2.gz NQIDNLNYVGHIDF-HJOIGYKYSA-N 1 2 379.298 3.694 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CCc3cc(F)c(F)cc3C2)C[C@H]1C#N ZINC001172993214 906103630 /nfs/dbraw/zinc/10/36/30/906103630.db2.gz KLJZKWKFMYFNAO-CVEARBPZSA-N 1 2 377.435 3.615 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+]2CCc3cc(F)c(F)cc3C2)C[C@H]1C#N ZINC001172993214 906103639 /nfs/dbraw/zinc/10/36/39/906103639.db2.gz KLJZKWKFMYFNAO-CVEARBPZSA-N 1 2 377.435 3.615 20 30 GHEDLO N#CCc1nn(-c2ccccc2)c(Nc2ccc(N3CCCCC3)[nH+]c2)c1C#N ZINC001174522723 907087062 /nfs/dbraw/zinc/08/70/62/907087062.db2.gz WDNPXVJPAQDETO-UHFFFAOYSA-N 1 2 383.459 3.939 20 30 GHEDLO C=C(C)CN1CC2(CCC1=O)CC[NH+](Cc1cnc(Br)s1)CC2 ZINC001276010728 921305482 /nfs/dbraw/zinc/30/54/82/921305482.db2.gz QFURTVZQZFVMDO-UHFFFAOYSA-N 1 2 398.370 3.686 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC3(CC2)OCc2ccccc23)c(C#N)c1C ZINC000366132700 921308667 /nfs/dbraw/zinc/30/86/67/921308667.db2.gz AGVNQATZOZQEHH-OAHLLOKOSA-N 1 2 379.460 3.617 20 30 GHEDLO C=CCn1cc(Nc2ccc(C[NH+]3CCN(C(=O)OC(C)(C)C)CC3)cc2)cn1 ZINC001176545914 908144469 /nfs/dbraw/zinc/14/44/69/908144469.db2.gz JQZUHAUGSJDWEF-UHFFFAOYSA-N 1 2 397.523 3.865 20 30 GHEDLO C=CCN(C)S(=O)(=O)c1ccc(NCc2c[nH+]c(C)n2-c2ccccc2)cc1 ZINC001179549639 909590006 /nfs/dbraw/zinc/59/00/06/909590006.db2.gz HNBCCKLMCWHBHM-UHFFFAOYSA-N 1 2 396.516 3.599 20 30 GHEDLO CCOC(=O)Nc1ccc(NC(=O)NCCCCNc2cccc[nH+]2)cc1C#N ZINC000269856388 910370241 /nfs/dbraw/zinc/37/02/41/910370241.db2.gz SITKHSVJDCCCFQ-UHFFFAOYSA-N 1 2 396.451 3.535 20 30 GHEDLO N#CC1(c2ccccn2)CC[NH+](CC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)CC1 ZINC000639626305 910571952 /nfs/dbraw/zinc/57/19/52/910571952.db2.gz OQXMEEZCIKEIEJ-IYBDPMFKSA-N 1 2 379.426 3.877 20 30 GHEDLO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000640049343 910802323 /nfs/dbraw/zinc/80/23/23/910802323.db2.gz RCHZNIPAMLZDBB-UHFFFAOYSA-N 1 2 393.535 3.721 20 30 GHEDLO Cc1nsc(N2CC[NH+](Cc3ccc(CC(F)(F)F)cc3)CC2)c1C#N ZINC001182127802 911187197 /nfs/dbraw/zinc/18/71/97/911187197.db2.gz QYQZTFDFORZCGA-UHFFFAOYSA-N 1 2 380.439 3.750 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(OCc3ccccc3F)CC2)c(C#N)c1C ZINC000091863500 911307172 /nfs/dbraw/zinc/30/71/72/911307172.db2.gz KHMBNDHACHXUJX-OAHLLOKOSA-N 1 2 399.466 3.915 20 30 GHEDLO N#CN=C(NC(=O)[C@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1)c1ccncc1 ZINC001182245939 911332365 /nfs/dbraw/zinc/33/23/65/911332365.db2.gz UOGMZQSSJZXIQU-IBGZPJMESA-N 1 2 395.894 3.696 20 30 GHEDLO N#CCCOCCSc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC000292704951 915807241 /nfs/dbraw/zinc/80/72/41/915807241.db2.gz NXJBHFXJKCJMSV-UHFFFAOYSA-N 1 2 391.928 3.539 20 30 GHEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000796446902 917380405 /nfs/dbraw/zinc/38/04/05/917380405.db2.gz CYIMUYUREHMUSO-ZPBCLNFZSA-N 1 2 396.453 3.646 20 30 GHEDLO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000796446902 917380413 /nfs/dbraw/zinc/38/04/13/917380413.db2.gz CYIMUYUREHMUSO-ZPBCLNFZSA-N 1 2 396.453 3.646 20 30 GHEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000796446886 917380766 /nfs/dbraw/zinc/38/07/66/917380766.db2.gz CYIMUYUREHMUSO-LVSKKATPSA-N 1 2 396.453 3.646 20 30 GHEDLO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000796446886 917380777 /nfs/dbraw/zinc/38/07/77/917380777.db2.gz CYIMUYUREHMUSO-LVSKKATPSA-N 1 2 396.453 3.646 20 30 GHEDLO CCc1ccc(O[C@H](C)C(=O)N2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC001190995220 917724059 /nfs/dbraw/zinc/72/40/59/917724059.db2.gz MEWGPZOLMJZHFS-RBUKOAKNSA-N 1 2 391.515 3.793 20 30 GHEDLO Cc1ccc(S(=O)(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@H](C)[C@@H]2C)c(C#N)c1 ZINC001192036018 918368710 /nfs/dbraw/zinc/36/87/10/918368710.db2.gz IZKRKOLLJGUPRP-OTWHNJEPSA-N 1 2 397.544 3.539 20 30 GHEDLO Cc1ccc(S(=O)(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@H](C)[C@@H]2C)c(C#N)c1 ZINC001192036018 918368722 /nfs/dbraw/zinc/36/87/22/918368722.db2.gz IZKRKOLLJGUPRP-OTWHNJEPSA-N 1 2 397.544 3.539 20 30 GHEDLO C#CC[C@H](Cc1ccccc1)NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000796601330 918790468 /nfs/dbraw/zinc/79/04/68/918790468.db2.gz JVXASOHDBMPVJC-GOSISDBHSA-N 1 2 382.533 3.885 20 30 GHEDLO C=CCN1CC[C@]2(CCC[N@H+]2C/C(Br)=C/c2ccccc2)C1=O ZINC001276373532 919595223 /nfs/dbraw/zinc/59/52/23/919595223.db2.gz GNVGTFNNPBIHCE-RBAUTDOXSA-N 1 2 375.310 3.675 20 30 GHEDLO C=CCN1CC[C@]2(CCC[N@@H+]2C/C(Br)=C/c2ccccc2)C1=O ZINC001276373532 919595233 /nfs/dbraw/zinc/59/52/33/919595233.db2.gz GNVGTFNNPBIHCE-RBAUTDOXSA-N 1 2 375.310 3.675 20 30 GHEDLO CSc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1 ZINC000368515419 922723591 /nfs/dbraw/zinc/72/35/91/922723591.db2.gz VEPQPPPIRBMUAA-INIZCTEOSA-N 1 2 380.517 3.688 20 30 GHEDLO COc1ccccc1-c1noc([C@@H](C)[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)n1 ZINC000369671948 923533770 /nfs/dbraw/zinc/53/37/70/923533770.db2.gz KLQKBJVVHTUUDT-HUUCEWRRSA-N 1 2 378.432 3.887 20 30 GHEDLO Cc1ccc([C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C2CC2)cc1 ZINC000009937165 923625187 /nfs/dbraw/zinc/62/51/87/923625187.db2.gz UCQQQCBGCFJXDD-QHCPKHFHSA-N 1 2 388.515 3.845 20 30 GHEDLO C=C(C)CN1C[C@@]2(F)C[N@H+](Cc3sc4ccccc4c3C)C[C@@]2(F)C1=O ZINC001276131860 925872709 /nfs/dbraw/zinc/87/27/09/925872709.db2.gz XQIGMKCVUJYMBQ-VQTJNVASSA-N 1 2 376.472 3.860 20 30 GHEDLO C=C(C)CN1C[C@@]2(F)C[N@@H+](Cc3sc4ccccc4c3C)C[C@@]2(F)C1=O ZINC001276131860 925872722 /nfs/dbraw/zinc/87/27/22/925872722.db2.gz XQIGMKCVUJYMBQ-VQTJNVASSA-N 1 2 376.472 3.860 20 30 GHEDLO C=CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C ZINC000411192735 926185721 /nfs/dbraw/zinc/18/57/21/926185721.db2.gz MJGWDMPLODBEHQ-QGZVFWFLSA-N 1 2 391.471 3.669 20 30 GHEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C ZINC000411192735 926185724 /nfs/dbraw/zinc/18/57/24/926185724.db2.gz MJGWDMPLODBEHQ-QGZVFWFLSA-N 1 2 391.471 3.669 20 30 GHEDLO COC(=O)c1nc([C@@H]2CCC[N@@H+]2Cc2ccc(O[C@@H](C)C#N)cc2)sc1C ZINC000373489836 926187043 /nfs/dbraw/zinc/18/70/43/926187043.db2.gz MWTFLGQJYVSXRV-GUYCJALGSA-N 1 2 385.489 3.866 20 30 GHEDLO COC(=O)c1nc([C@@H]2CCC[N@H+]2Cc2ccc(O[C@@H](C)C#N)cc2)sc1C ZINC000373489836 926187045 /nfs/dbraw/zinc/18/70/45/926187045.db2.gz MWTFLGQJYVSXRV-GUYCJALGSA-N 1 2 385.489 3.866 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000373960788 926596484 /nfs/dbraw/zinc/59/64/84/926596484.db2.gz WTTSWTLKHTUNES-IAGOWNOFSA-N 1 2 395.532 3.546 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000373960788 926596491 /nfs/dbraw/zinc/59/64/91/926596491.db2.gz WTTSWTLKHTUNES-IAGOWNOFSA-N 1 2 395.532 3.546 20 30 GHEDLO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000726253982 926613584 /nfs/dbraw/zinc/61/35/84/926613584.db2.gz OZVSPFMHZDLQBP-QGZVFWFLSA-N 1 2 394.475 3.501 20 30 GHEDLO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000726253982 926613586 /nfs/dbraw/zinc/61/35/86/926613586.db2.gz OZVSPFMHZDLQBP-QGZVFWFLSA-N 1 2 394.475 3.501 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(c2ccncn2)CC1 ZINC000411826874 926824974 /nfs/dbraw/zinc/82/49/74/926824974.db2.gz KGMAVWCBMIMNHE-INIZCTEOSA-N 1 2 395.532 3.546 20 30 GHEDLO N#Cc1cc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)ccc1OC(F)(F)F ZINC000374245432 926929085 /nfs/dbraw/zinc/92/90/85/926929085.db2.gz QZGAPBHUGUGXOB-UHFFFAOYSA-N 1 2 379.342 3.522 20 30 GHEDLO C=CCn1c(-c2cccc(C)c2)nn(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1=S ZINC000749799254 927278734 /nfs/dbraw/zinc/27/87/34/927278734.db2.gz VPDZOWBOPANXQW-RTBURBONSA-N 1 2 384.549 3.891 20 30 GHEDLO C=CCn1c(-c2cccc(C)c2)nn(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1=S ZINC000749799254 927278740 /nfs/dbraw/zinc/27/87/40/927278740.db2.gz VPDZOWBOPANXQW-RTBURBONSA-N 1 2 384.549 3.891 20 30 GHEDLO C=CCC[C@H](NC(=O)NCC[N@@H+]1CCO[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000750292136 927539054 /nfs/dbraw/zinc/53/90/54/927539054.db2.gz QMSRSNWVSGTPFR-QAPCUYQASA-N 1 2 399.457 3.733 20 30 GHEDLO C=CCC[C@H](NC(=O)NCC[N@H+]1CCO[C@H](C)C1)c1ccc(C(F)(F)F)cc1 ZINC000750292136 927539059 /nfs/dbraw/zinc/53/90/59/927539059.db2.gz QMSRSNWVSGTPFR-QAPCUYQASA-N 1 2 399.457 3.733 20 30 GHEDLO CC(C)(C)OC(=O)NC1CC[NH+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000752279934 928727222 /nfs/dbraw/zinc/72/72/22/928727222.db2.gz FKTZUNNLSZOFRV-UHFFFAOYSA-N 1 2 381.423 3.649 20 30 GHEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000467197243 928811901 /nfs/dbraw/zinc/81/19/01/928811901.db2.gz TYQTYBSHBBJLID-WMZHIEFXSA-N 1 2 395.551 3.672 20 30 GHEDLO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000467197243 928811908 /nfs/dbraw/zinc/81/19/08/928811908.db2.gz TYQTYBSHBBJLID-WMZHIEFXSA-N 1 2 395.551 3.672 20 30 GHEDLO N#CC1(NC(=O)C[N@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)CCCCC1 ZINC000470015328 930316083 /nfs/dbraw/zinc/31/60/83/930316083.db2.gz NNAHDKIXGKFVKA-OAHLLOKOSA-N 1 2 396.318 3.789 20 30 GHEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)CCCCC1 ZINC000470015328 930316089 /nfs/dbraw/zinc/31/60/89/930316089.db2.gz NNAHDKIXGKFVKA-OAHLLOKOSA-N 1 2 396.318 3.789 20 30 GHEDLO COc1ccc(C(N)=[NH+]OCc2cc(Br)cc3cccnc32)cc1 ZINC000759759688 930480797 /nfs/dbraw/zinc/48/07/97/930480797.db2.gz RXRXVOVCKXAZSH-UHFFFAOYSA-N 1 2 386.249 3.843 20 30 GHEDLO COC(=O)c1ccc(N[NH+]=C(C)c2cccc(N3CCOCC3)c2)cc1Cl ZINC000782240823 931135127 /nfs/dbraw/zinc/13/51/27/931135127.db2.gz NFRGHOFYBCDSQX-UHFFFAOYSA-N 1 2 387.867 3.799 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)/C=C\c2ccccc2C#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000782750685 931324457 /nfs/dbraw/zinc/32/44/57/931324457.db2.gz QKPBQGDHQONROM-JTGUCPBQSA-N 1 2 399.416 3.940 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)/C=C\c2ccccc2C#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000782750685 931324458 /nfs/dbraw/zinc/32/44/58/931324458.db2.gz QKPBQGDHQONROM-JTGUCPBQSA-N 1 2 399.416 3.940 20 30 GHEDLO COCCOc1ccc(C(=O)/C=C\c2cc(-n3cc[nH+]c3)cs2)cc1OC ZINC000783708309 931624587 /nfs/dbraw/zinc/62/45/87/931624587.db2.gz QNXXLBYUQPDBEY-PLNGDYQASA-N 1 2 384.457 3.864 20 30 GHEDLO N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(Cn4cc[nH+]c4)cn3)cc2)nc1 ZINC000557715881 931629453 /nfs/dbraw/zinc/62/94/53/931629453.db2.gz HYEACGXQSZFBLN-UHFFFAOYSA-N 1 2 396.410 3.638 20 30 GHEDLO CC(=O)C1=C(c2ccc(C)cc2)NC(=S)N[C@@H]1c1cc(-n2cc[nH+]c2)cs1 ZINC000783936876 931723390 /nfs/dbraw/zinc/72/33/90/931723390.db2.gz BDCUOXJUFCBSJX-LJQANCHMSA-N 1 2 394.525 3.761 20 30 GHEDLO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H](C)c1noc(-c2ccccc2)n1 ZINC000558409497 931986281 /nfs/dbraw/zinc/98/62/81/931986281.db2.gz RHQOARGIERWVPV-VQIMIIECSA-N 1 2 379.460 3.556 20 30 GHEDLO C[C@H]([NH2+]C[C@@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1)c1cccc(C#N)c1O ZINC000926996455 932375449 /nfs/dbraw/zinc/37/54/49/932375449.db2.gz VFDQPKXNEZNDIY-CFPIUPBJSA-N 1 2 386.492 3.584 20 30 GHEDLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000798796804 932778993 /nfs/dbraw/zinc/77/89/93/932778993.db2.gz FRJZCKRKVGNVNM-UHFFFAOYSA-N 1 2 383.411 3.595 20 30 GHEDLO C#Cc1cccc(NC(=O)N2CC[N@@H+](Cc3ccccc3OCC)C[C@H]2C)c1 ZINC000799384272 932982258 /nfs/dbraw/zinc/98/22/58/932982258.db2.gz XMRUAZPUXWQCSA-GOSISDBHSA-N 1 2 377.488 3.805 20 30 GHEDLO C#Cc1cccc(NC(=O)N2CC[N@H+](Cc3ccccc3OCC)C[C@H]2C)c1 ZINC000799384272 932982269 /nfs/dbraw/zinc/98/22/69/932982269.db2.gz XMRUAZPUXWQCSA-GOSISDBHSA-N 1 2 377.488 3.805 20 30 GHEDLO N#Cc1ccccc1/C=C\C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000799845258 933139374 /nfs/dbraw/zinc/13/93/74/933139374.db2.gz YUFHQLCVQKYBAO-YFHOEESVSA-N 1 2 399.416 3.935 20 30 GHEDLO Cc1cc(C[N@@H+]2CCCN(c3c(C#N)cnc4ccc(Cl)cc43)CC2)no1 ZINC001116132174 933353222 /nfs/dbraw/zinc/35/32/22/933353222.db2.gz WCKAGNDACKTYNY-UHFFFAOYSA-N 1 2 381.867 3.769 20 30 GHEDLO Cc1cc(C[N@H+]2CCCN(c3c(C#N)cnc4ccc(Cl)cc43)CC2)no1 ZINC001116132174 933353233 /nfs/dbraw/zinc/35/32/33/933353233.db2.gz WCKAGNDACKTYNY-UHFFFAOYSA-N 1 2 381.867 3.769 20 30 GHEDLO C=CCOc1ccc(CNC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cc1 ZINC000561875626 934527536 /nfs/dbraw/zinc/52/75/36/934527536.db2.gz LYXZNHOUFFIIJX-KRWDZBQOSA-N 1 2 385.533 3.901 20 30 GHEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001121415108 934650756 /nfs/dbraw/zinc/65/07/56/934650756.db2.gz IWFLILVKKMXYTL-SFHVURJKSA-N 1 2 398.942 3.555 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N(C)CCc1nccs1 ZINC001121682654 934737576 /nfs/dbraw/zinc/73/75/76/934737576.db2.gz ULWJBSNUZXECFH-KRWDZBQOSA-N 1 2 396.564 3.793 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N(C)CCc1nccs1 ZINC001121682654 934737581 /nfs/dbraw/zinc/73/75/81/934737581.db2.gz ULWJBSNUZXECFH-KRWDZBQOSA-N 1 2 396.564 3.793 20 30 GHEDLO CC[NH+](CC)[C@@H](C(=O)[C@@H](C#N)c1nccn1C)c1cccc(C(F)(F)F)c1 ZINC001122606888 934917457 /nfs/dbraw/zinc/91/74/57/934917457.db2.gz RWVOTEUKRVNMON-HZPDHXFCSA-N 1 2 378.398 3.698 20 30 GHEDLO C[N@@H+]1CCC[C@H]1c1nnc(N2Cc3cccc(C#N)c3C2)n1Cc1cccs1 ZINC001122918084 935030232 /nfs/dbraw/zinc/03/02/32/935030232.db2.gz ZBAMDTQPQUHEOH-IBGZPJMESA-N 1 2 390.516 3.546 20 30 GHEDLO C[N@H+]1CCC[C@H]1c1nnc(N2Cc3cccc(C#N)c3C2)n1Cc1cccs1 ZINC001122918084 935030238 /nfs/dbraw/zinc/03/02/38/935030238.db2.gz ZBAMDTQPQUHEOH-IBGZPJMESA-N 1 2 390.516 3.546 20 30 GHEDLO COc1ccc(C[N@@H+]2CC[C@H]3C[C@@H](c4ccnc(C(C)C)n4)O[C@@H]3C2)c(C#N)c1 ZINC001137699267 935730941 /nfs/dbraw/zinc/73/09/41/935730941.db2.gz BCMLZVGMIOYFJJ-WQTXXOFMSA-N 1 2 392.503 3.832 20 30 GHEDLO COc1ccc(C[N@H+]2CC[C@H]3C[C@@H](c4ccnc(C(C)C)n4)O[C@@H]3C2)c(C#N)c1 ZINC001137699267 935730945 /nfs/dbraw/zinc/73/09/45/935730945.db2.gz BCMLZVGMIOYFJJ-WQTXXOFMSA-N 1 2 392.503 3.832 20 30 GHEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCc3c(F)ccc(Br)c3C2)cc1 ZINC000830200716 935912522 /nfs/dbraw/zinc/91/25/22/935912522.db2.gz SJSLKYIRBXWXIX-SFHVURJKSA-N 1 2 375.241 3.552 20 30 GHEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCc3c(F)ccc(Br)c3C2)cc1 ZINC000830200716 935912526 /nfs/dbraw/zinc/91/25/26/935912526.db2.gz SJSLKYIRBXWXIX-SFHVURJKSA-N 1 2 375.241 3.552 20 30 GHEDLO CC1(C)C[N@H+](Cc2ccc(F)c(C#N)c2)CCN1Cc1ccc(F)c(C#N)c1 ZINC000468276362 1015536385 /nfs/dbraw/zinc/53/63/85/1015536385.db2.gz IJHLLYQWYCJSQP-UHFFFAOYSA-N 1 2 380.442 3.805 20 30 GHEDLO CC1(C)C[N@@H+](Cc2ccc(F)c(C#N)c2)CCN1Cc1ccc(F)c(C#N)c1 ZINC000468276362 1015536399 /nfs/dbraw/zinc/53/63/99/1015536399.db2.gz IJHLLYQWYCJSQP-UHFFFAOYSA-N 1 2 380.442 3.805 20 30 GHEDLO C=C[C@@H](COC)NC(=O)N1CC[N@H+](Cc2ccc(Cl)cc2)C[C@@H]1CC(C)C ZINC001226866201 1032165692 /nfs/dbraw/zinc/16/56/92/1032165692.db2.gz HUIWXKAURDKPLQ-PMACEKPBSA-N 1 2 393.959 3.783 20 30 GHEDLO C=C[C@@H](COC)NC(=O)N1CC[N@@H+](Cc2ccc(Cl)cc2)C[C@@H]1CC(C)C ZINC001226866201 1032165698 /nfs/dbraw/zinc/16/56/98/1032165698.db2.gz HUIWXKAURDKPLQ-PMACEKPBSA-N 1 2 393.959 3.783 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2ncc(Br)cc2F)C1 ZINC001227403056 1032406650 /nfs/dbraw/zinc/40/66/50/1032406650.db2.gz WXZSQZOEVYXRHS-HNNXBMFYSA-N 1 2 376.229 3.508 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2ncc(Br)cc2F)C1 ZINC001227403056 1032406655 /nfs/dbraw/zinc/40/66/55/1032406655.db2.gz WXZSQZOEVYXRHS-HNNXBMFYSA-N 1 2 376.229 3.508 20 30 GHEDLO C=CCOc1ccc(/C=C\C(=O)N2CCC[C@@H]2c2[nH]c(C)c(C)[nH+]2)cc1OC ZINC001155186756 1032449942 /nfs/dbraw/zinc/44/99/42/1032449942.db2.gz ZSOJQBFSBXQXMU-LECLMCCNSA-N 1 2 381.476 3.977 20 30 GHEDLO N#Cc1ccccc1OC1CCC([NH2+][C@H](c2cn[nH]n2)c2ccc(F)cc2)CC1 ZINC000562778968 1018631076 /nfs/dbraw/zinc/63/10/76/1018631076.db2.gz BOMCNCFHBJMGDF-AJTFCVKESA-N 1 2 391.450 3.885 20 30 GHEDLO N#Cc1ccccc1OC1CCC([NH2+][C@H](c2c[nH]nn2)c2ccc(F)cc2)CC1 ZINC000562778968 1018631080 /nfs/dbraw/zinc/63/10/80/1018631080.db2.gz BOMCNCFHBJMGDF-AJTFCVKESA-N 1 2 391.450 3.885 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(O)(C2CCC2)CC1 ZINC000932819163 1018690755 /nfs/dbraw/zinc/69/07/55/1018690755.db2.gz VYVAYXHVCKDQMI-MRXNPFEDSA-N 1 2 387.549 3.646 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)NCC2CCC(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000566894397 1019260836 /nfs/dbraw/zinc/26/08/36/1019260836.db2.gz RXUITQNIGUADLK-AREIWFIDSA-N 1 2 392.906 3.853 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)NCC2CCC(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000566894397 1019260841 /nfs/dbraw/zinc/26/08/41/1019260841.db2.gz RXUITQNIGUADLK-AREIWFIDSA-N 1 2 392.906 3.853 20 30 GHEDLO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1nc(N)nc(Nc2ccc(C)cc2)n1 ZINC000576652934 1020048331 /nfs/dbraw/zinc/04/83/31/1020048331.db2.gz UPABVYWDFPTHQO-UHFFFAOYSA-N 1 2 387.491 3.620 20 30 GHEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1nc(N)nc(Nc2ccc(C)cc2)n1 ZINC000576652934 1020048341 /nfs/dbraw/zinc/04/83/41/1020048341.db2.gz UPABVYWDFPTHQO-UHFFFAOYSA-N 1 2 387.491 3.620 20 30 GHEDLO N#CCCN1CC[NH+](Cc2cnc(-c3ccc(Br)cc3)s2)CC1 ZINC001140299442 1021344102 /nfs/dbraw/zinc/34/41/02/1021344102.db2.gz XLGRFTZMEIBRLL-UHFFFAOYSA-N 1 2 391.338 3.604 20 30 GHEDLO N#Cc1ccccc1OC1C[NH+](Cc2ccc(-c3ccc(Cl)nn3)cc2)C1 ZINC001140413564 1021614284 /nfs/dbraw/zinc/61/42/84/1021614284.db2.gz BURHFVPZXQMKKQ-UHFFFAOYSA-N 1 2 376.847 3.932 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccc(C#N)nc2)[C@@H](Cc2ccccc2)C1 ZINC001140544305 1021944024 /nfs/dbraw/zinc/94/40/24/1021944024.db2.gz JANHJLGQRATUIL-NRFANRHFSA-N 1 2 392.503 3.617 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2ccc(C#N)nc2)[C@@H](Cc2ccccc2)C1 ZINC001140544305 1021944029 /nfs/dbraw/zinc/94/40/29/1021944029.db2.gz JANHJLGQRATUIL-NRFANRHFSA-N 1 2 392.503 3.617 20 30 GHEDLO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)o1 ZINC000754348151 1022632968 /nfs/dbraw/zinc/63/29/68/1022632968.db2.gz QCQKBSPCIUATEQ-FXAWDEMLSA-N 1 2 383.492 3.763 20 30 GHEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(F)c(C(F)(F)F)c(F)c2)C1 ZINC001140882348 1022786305 /nfs/dbraw/zinc/78/63/05/1022786305.db2.gz WVVQMPXBFKLFHI-GFCCVEGCSA-N 1 2 378.341 3.860 20 30 GHEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc(F)c(C(F)(F)F)c(F)c2)C1 ZINC001140882348 1022786315 /nfs/dbraw/zinc/78/63/15/1022786315.db2.gz WVVQMPXBFKLFHI-GFCCVEGCSA-N 1 2 378.341 3.860 20 30 GHEDLO Cc1nc(NCc2cccc(C(=O)OCCOc3ccccc3C#N)c2)cc[nH+]1 ZINC000754953223 1022981184 /nfs/dbraw/zinc/98/11/84/1022981184.db2.gz OFXUOCUYKMPMKO-UHFFFAOYSA-N 1 2 388.427 3.505 20 30 GHEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc(OCc3ccccc3)cc2OC)CC1 ZINC001141082168 1023448780 /nfs/dbraw/zinc/44/87/80/1023448780.db2.gz BJDQTUZUKSPARV-UHFFFAOYSA-N 1 2 394.471 3.553 20 30 GHEDLO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ncc(Cl)nc1Cl)[C@@H]2CC ZINC001141134282 1023558855 /nfs/dbraw/zinc/55/88/55/1023558855.db2.gz WTJXVVWRUDXFIZ-KDOFPFPSSA-N 1 2 383.323 3.705 20 30 GHEDLO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1ncc(Cl)nc1Cl)[C@@H]2CC ZINC001141134282 1023558860 /nfs/dbraw/zinc/55/88/60/1023558860.db2.gz WTJXVVWRUDXFIZ-KDOFPFPSSA-N 1 2 383.323 3.705 20 30 GHEDLO C=C(C)COc1ccccc1CN1CCc2c([nH+]cn2C(C)C)[C@@H]1CNC(C)=O ZINC001138661778 1025180627 /nfs/dbraw/zinc/18/06/27/1025180627.db2.gz ZZJONYBOHJLRKI-NRFANRHFSA-N 1 2 396.535 3.654 20 30 GHEDLO CN(CCc1cccc(C#N)c1)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001229098362 1033278080 /nfs/dbraw/zinc/27/80/80/1033278080.db2.gz JEZAGQLIQNZBKR-UHFFFAOYSA-N 1 2 393.878 3.781 20 30 GHEDLO C#CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000839600352 1026098119 /nfs/dbraw/zinc/09/81/19/1026098119.db2.gz AWACSCKIYHKCLB-FQEVSTJZSA-N 1 2 386.499 3.952 20 30 GHEDLO C#CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000839600352 1026098138 /nfs/dbraw/zinc/09/81/38/1026098138.db2.gz AWACSCKIYHKCLB-FQEVSTJZSA-N 1 2 386.499 3.952 20 30 GHEDLO Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1C[NH+]1CC(CC#N)C1 ZINC001141682483 1026245811 /nfs/dbraw/zinc/24/58/11/1026245811.db2.gz JLKDANFDHCNFCV-UHFFFAOYSA-N 1 2 390.553 3.912 20 30 GHEDLO CCn1cc2c(n1)C[N@@H+](Cc1ccc(-c3cc(C#N)ccn3)cc1)C[C@H]2COC ZINC001139402365 1026273101 /nfs/dbraw/zinc/27/31/01/1026273101.db2.gz PAQSIOAPEHOTMK-FQEVSTJZSA-N 1 2 387.487 3.582 20 30 GHEDLO CCn1cc2c(n1)C[N@H+](Cc1ccc(-c3cc(C#N)ccn3)cc1)C[C@H]2COC ZINC001139402365 1026273111 /nfs/dbraw/zinc/27/31/11/1026273111.db2.gz PAQSIOAPEHOTMK-FQEVSTJZSA-N 1 2 387.487 3.582 20 30 GHEDLO CCOC(=O)c1ccc(NC(=[NH2+])c2ccc(C(F)(F)F)cc2)c2c1OCO2 ZINC001163685528 1026282744 /nfs/dbraw/zinc/28/27/44/1026282744.db2.gz OZTBTDDURUIUIZ-UHFFFAOYSA-N 1 2 380.322 3.648 20 30 GHEDLO CCOC(=O)C1(F)CC[NH+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC001139426278 1026298464 /nfs/dbraw/zinc/29/84/64/1026298464.db2.gz PLFMLFLVIOXIPY-UHFFFAOYSA-N 1 2 383.423 3.613 20 30 GHEDLO CN1C(=O)[C@@H](c2cccnc2)CC12CC[NH+](Cc1cccc(Cl)c1C#N)CC2 ZINC001139689182 1026540806 /nfs/dbraw/zinc/54/08/06/1026540806.db2.gz KDMYPKQGXBKQAI-GOSISDBHSA-N 1 2 394.906 3.587 20 30 GHEDLO C=CCn1cc(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](c3ccccc3)C2)cn1 ZINC001139772204 1026605323 /nfs/dbraw/zinc/60/53/23/1026605323.db2.gz BNGCZSTVSAWUQS-HXUWFJFHSA-N 1 2 382.508 3.863 20 30 GHEDLO C=CCn1cc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](c3ccccc3)C2)cn1 ZINC001139772204 1026605326 /nfs/dbraw/zinc/60/53/26/1026605326.db2.gz BNGCZSTVSAWUQS-HXUWFJFHSA-N 1 2 382.508 3.863 20 30 GHEDLO C=CCn1cc(C[NH+]2CCN([C@H](C)c3ccc(Br)cc3)CC2)cn1 ZINC001139774579 1026606908 /nfs/dbraw/zinc/60/69/08/1026606908.db2.gz NANGSBAVPRXJNG-MRXNPFEDSA-N 1 2 389.341 3.710 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(C)nc1Br ZINC001276407403 1027238033 /nfs/dbraw/zinc/23/80/33/1027238033.db2.gz UCAYXXBVOZUWJJ-LJQANCHMSA-N 1 2 392.341 3.686 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(C)nc1Br ZINC001276407403 1027238051 /nfs/dbraw/zinc/23/80/51/1027238051.db2.gz UCAYXXBVOZUWJJ-LJQANCHMSA-N 1 2 392.341 3.686 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Br)c(C)cn1 ZINC001276419441 1027591011 /nfs/dbraw/zinc/59/10/11/1027591011.db2.gz LROHQXKUVQEBJG-IBGZPJMESA-N 1 2 392.341 3.686 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(Br)c(C)cn1 ZINC001276419441 1027591017 /nfs/dbraw/zinc/59/10/17/1027591017.db2.gz LROHQXKUVQEBJG-IBGZPJMESA-N 1 2 392.341 3.686 20 30 GHEDLO CCOC[C@H]1C[N@H+](Cc2c[nH]c3cc(C#N)ccc23)Cc2nn(CC3CC3)cc21 ZINC001142915741 1029688044 /nfs/dbraw/zinc/68/80/44/1029688044.db2.gz FVQGYXDOWCWUPL-LJQANCHMSA-N 1 2 389.503 3.782 20 30 GHEDLO CCOC[C@H]1C[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)Cc2nn(CC3CC3)cc21 ZINC001142915741 1029688049 /nfs/dbraw/zinc/68/80/49/1029688049.db2.gz FVQGYXDOWCWUPL-LJQANCHMSA-N 1 2 389.503 3.782 20 30 GHEDLO CCCCCCCCC/C=C\C(=O)N1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000843475272 1030032173 /nfs/dbraw/zinc/03/21/73/1030032173.db2.gz JIJINGWBTUAPRN-KHPPLWFESA-N 1 2 387.572 3.784 20 30 GHEDLO COc1cc(C#N)ccc1OC1CC[NH+](Cc2ccc(F)c(OC)c2F)CC1 ZINC001143328681 1030037885 /nfs/dbraw/zinc/03/78/85/1030037885.db2.gz DYOULCMICVCJJE-UHFFFAOYSA-N 1 2 388.414 3.897 20 30 GHEDLO CC(C)(C)C#CC(=O)N1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC001151037860 1030752404 /nfs/dbraw/zinc/75/24/04/1030752404.db2.gz OINROZYWCQWAJD-UHFFFAOYSA-N 1 2 390.527 3.959 20 30 GHEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1nc(Cl)ccc1C(F)(F)F ZINC001276930718 1030803970 /nfs/dbraw/zinc/80/39/70/1030803970.db2.gz MHKAUVFPWWFLIB-HUUCEWRRSA-N 1 2 387.833 3.895 20 30 GHEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1nc(Cl)ccc1C(F)(F)F ZINC001276930718 1030803983 /nfs/dbraw/zinc/80/39/83/1030803983.db2.gz MHKAUVFPWWFLIB-HUUCEWRRSA-N 1 2 387.833 3.895 20 30 GHEDLO C[C@@H](C(=O)Nc1ccc(O[C@H]2CC[NH2+]CC2(F)F)cc1)c1ccc(C#N)cc1 ZINC001219456210 1031428837 /nfs/dbraw/zinc/42/88/37/1031428837.db2.gz KEUQSCCDDYTLES-KUHUBIRLSA-N 1 2 385.414 3.676 20 30 GHEDLO CCc1cc(C(=O)Nc2ccc(O[C@H]3CC[NH2+]CC3(F)F)cc2)ccc1C#N ZINC001219461028 1031435090 /nfs/dbraw/zinc/43/50/90/1031435090.db2.gz DSVBITGZNNPYFX-IBGZPJMESA-N 1 2 385.414 3.749 20 30 GHEDLO CCCCOC(=O)[C@H](C)Oc1nc(C)c(-c2ccc3[nH+]ccn3c2)cc1C#N ZINC001229766513 1033697563 /nfs/dbraw/zinc/69/75/63/1033697563.db2.gz PUJHDWGQTHKBCF-HNNXBMFYSA-N 1 2 378.432 3.687 20 30 GHEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)nc3Cl)C2)nc1 ZINC001206042431 1033698182 /nfs/dbraw/zinc/69/81/82/1033698182.db2.gz XYHAUANAWZFBAM-CYBMUJFWSA-N 1 2 382.773 3.674 20 30 GHEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)nc3Cl)C2)nc1 ZINC001206042431 1033698192 /nfs/dbraw/zinc/69/81/92/1033698192.db2.gz XYHAUANAWZFBAM-CYBMUJFWSA-N 1 2 382.773 3.674 20 30 GHEDLO C=C(C)CN1CC2(CCC1=O)CC[NH+](Cc1cc(F)cc(Cl)c1O)CC2 ZINC001277510507 1034547152 /nfs/dbraw/zinc/54/71/52/1034547152.db2.gz ONORTQOJLVHKFK-UHFFFAOYSA-N 1 2 380.891 3.965 20 30 GHEDLO COc1cc(C#N)ccc1CN1CC[N@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC001231621900 1034779807 /nfs/dbraw/zinc/77/98/07/1034779807.db2.gz LUFATUVUOUERBD-HXUWFJFHSA-N 1 2 389.421 3.816 20 30 GHEDLO COc1cc(C#N)ccc1CN1CC[N@@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC001231621900 1034779816 /nfs/dbraw/zinc/77/98/16/1034779816.db2.gz LUFATUVUOUERBD-HXUWFJFHSA-N 1 2 389.421 3.816 20 30 GHEDLO C=CCOc1cccc(C[N@H+]2Cc3c(cnn3C)[C@@H](COc3cccnc3)C2)c1 ZINC001231621869 1034779929 /nfs/dbraw/zinc/77/99/29/1034779929.db2.gz LFIMPJBHZLJJMP-LJQANCHMSA-N 1 2 390.487 3.558 20 30 GHEDLO C=CCOc1cccc(C[N@@H+]2Cc3c(cnn3C)[C@@H](COc3cccnc3)C2)c1 ZINC001231621869 1034779943 /nfs/dbraw/zinc/77/99/43/1034779943.db2.gz LFIMPJBHZLJJMP-LJQANCHMSA-N 1 2 390.487 3.558 20 30 GHEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3c(Cl)cc(OC)cc3OC)C2)CC1 ZINC001231693402 1034840420 /nfs/dbraw/zinc/84/04/20/1034840420.db2.gz ABMDIQZZIHEJOJ-UHFFFAOYSA-N 1 2 394.899 3.578 20 30 GHEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3cc(Cl)ncc3C(F)(F)F)CC2)nc1 ZINC001231931989 1034997517 /nfs/dbraw/zinc/99/75/17/1034997517.db2.gz RHSYYMHYKGHNMV-UHFFFAOYSA-N 1 2 395.816 3.733 20 30 GHEDLO N#Cc1ccc(N2CCC[N@H+](Cc3cc(Cl)ncc3C(F)(F)F)CC2)nc1 ZINC001231931989 1034997521 /nfs/dbraw/zinc/99/75/21/1034997521.db2.gz RHSYYMHYKGHNMV-UHFFFAOYSA-N 1 2 395.816 3.733 20 30 GHEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1c(Br)ccnc1Br ZINC001208808776 1035032256 /nfs/dbraw/zinc/03/22/56/1035032256.db2.gz SOTOFRHILQMYIE-CNDDSTCGSA-N 1 2 399.130 3.916 20 30 GHEDLO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1c(Br)ccnc1Br ZINC001208808776 1035032265 /nfs/dbraw/zinc/03/22/65/1035032265.db2.gz SOTOFRHILQMYIE-CNDDSTCGSA-N 1 2 399.130 3.916 20 30 GHEDLO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ccnc(Br)c1F)C2 ZINC001232027700 1035050186 /nfs/dbraw/zinc/05/01/86/1035050186.db2.gz HXRLFRGJCLJZPT-MAUKXSAKSA-N 1 2 399.304 3.557 20 30 GHEDLO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1ccnc(Br)c1F)C2 ZINC001232027700 1035050193 /nfs/dbraw/zinc/05/01/93/1035050193.db2.gz HXRLFRGJCLJZPT-MAUKXSAKSA-N 1 2 399.304 3.557 20 30 GHEDLO O=C1C=C2C[N@H+](Cc3ccc4cc(Br)ccc4n3)CC[C@@H]2S1 ZINC001232101592 1035096229 /nfs/dbraw/zinc/09/62/29/1035096229.db2.gz KNWPRRHVISXKQJ-INIZCTEOSA-N 1 2 375.291 3.771 20 30 GHEDLO O=C1C=C2C[N@@H+](Cc3ccc4cc(Br)ccc4n3)CC[C@@H]2S1 ZINC001232101592 1035096233 /nfs/dbraw/zinc/09/62/33/1035096233.db2.gz KNWPRRHVISXKQJ-INIZCTEOSA-N 1 2 375.291 3.771 20 30 GHEDLO Cn1ncc2c1C[N@H+](Cc1ccc(C#N)c(Cl)c1)C[C@@H]2COc1cccnc1 ZINC001232113686 1035102577 /nfs/dbraw/zinc/10/25/77/1035102577.db2.gz ZCTGCIZSIPESCO-QGZVFWFLSA-N 1 2 393.878 3.519 20 30 GHEDLO Cn1ncc2c1C[N@@H+](Cc1ccc(C#N)c(Cl)c1)C[C@@H]2COc1cccnc1 ZINC001232113686 1035102582 /nfs/dbraw/zinc/10/25/82/1035102582.db2.gz ZCTGCIZSIPESCO-QGZVFWFLSA-N 1 2 393.878 3.519 20 30 GHEDLO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1c(F)cncc1Br)C2 ZINC001232127544 1035111456 /nfs/dbraw/zinc/11/14/56/1035111456.db2.gz RKFJNKTWDRXANP-ZWKOTPCHSA-N 1 2 399.304 3.557 20 30 GHEDLO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1c(F)cncc1Br)C2 ZINC001232127544 1035111461 /nfs/dbraw/zinc/11/14/61/1035111461.db2.gz RKFJNKTWDRXANP-ZWKOTPCHSA-N 1 2 399.304 3.557 20 30 GHEDLO N#Cc1ccc(F)c(-c2noc([C@H]3[NH2+]CCc4cc(Br)ccc43)n2)c1 ZINC001248631537 1036008407 /nfs/dbraw/zinc/00/84/07/1036008407.db2.gz XJHLJKYKTOXGLQ-INIZCTEOSA-N 1 2 399.223 3.745 20 30 GHEDLO N#Cc1nc2c(cccc2-c2ccc(OCC[NH+]3CCOCC3)cc2F)s1 ZINC001244138151 1036394479 /nfs/dbraw/zinc/39/44/79/1036394479.db2.gz KZZJPYXXCJFWKX-UHFFFAOYSA-N 1 2 383.448 3.685 20 30 GHEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3cc(OC)c(Cl)cc3OC)C2)CC1 ZINC001232369738 1038144237 /nfs/dbraw/zinc/14/42/37/1038144237.db2.gz CLLLBOQTRWUCAY-UHFFFAOYSA-N 1 2 394.899 3.578 20 30 GHEDLO CCOC(=O)c1ccc(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)c(Cl)c1 ZINC001232595856 1038370803 /nfs/dbraw/zinc/37/08/03/1038370803.db2.gz MMVNNLBTAMKUCR-UHFFFAOYSA-N 1 2 383.879 3.711 20 30 GHEDLO N#Cc1cc(Cl)ccc1CN1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001232607901 1038392250 /nfs/dbraw/zinc/39/22/50/1038392250.db2.gz QQUUYMPDUVKVJT-MRXNPFEDSA-N 1 2 393.878 3.514 20 30 GHEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2cccc(OCC)c2Br)C1=O ZINC001277697812 1038462854 /nfs/dbraw/zinc/46/28/54/1038462854.db2.gz HDLQHASNXPQEEM-IBGZPJMESA-N 1 2 393.325 3.601 20 30 GHEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2cccc(OCC)c2Br)C1=O ZINC001277697812 1038462934 /nfs/dbraw/zinc/46/29/34/1038462934.db2.gz HDLQHASNXPQEEM-IBGZPJMESA-N 1 2 393.325 3.601 20 30 GHEDLO N#Cc1ccc(O)c(C[NH+]2CCC3(Cc4cc(Br)ccc4O3)CC2)c1 ZINC001232678353 1038476281 /nfs/dbraw/zinc/47/62/81/1038476281.db2.gz WFTIMYJEMQQVKW-UHFFFAOYSA-N 1 2 399.288 3.996 20 30 GHEDLO C[N@H+](Cc1cccc(C#N)c1)Cc1ccc(O)cc1I ZINC001232721362 1038516168 /nfs/dbraw/zinc/51/61/68/1038516168.db2.gz ZBQMKXPUNPOVQS-UHFFFAOYSA-N 1 2 378.213 3.500 20 30 GHEDLO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(O)cc1I ZINC001232721362 1038516178 /nfs/dbraw/zinc/51/61/78/1038516178.db2.gz ZBQMKXPUNPOVQS-UHFFFAOYSA-N 1 2 378.213 3.500 20 30 GHEDLO N#Cc1ccc(F)cc1C[NH+]1CCC(N2C(=O)OC[C@H]2c2ccccc2)CC1 ZINC001232888395 1038674346 /nfs/dbraw/zinc/67/43/46/1038674346.db2.gz AOTZKOGKYLDPME-NRFANRHFSA-N 1 2 379.435 3.855 20 30 GHEDLO CC(C)(C)OC(=O)NCCC1C[NH+](Cc2ccc(Br)c(C#N)c2)C1 ZINC001232899111 1038695145 /nfs/dbraw/zinc/69/51/45/1038695145.db2.gz LSJCFEORLRDWCT-UHFFFAOYSA-N 1 2 394.313 3.667 20 30 GHEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001233284637 1039059765 /nfs/dbraw/zinc/05/97/65/1039059765.db2.gz CAWOHBYFBGTSOS-IBGZPJMESA-N 1 2 384.524 3.603 20 30 GHEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1Cc1cc(C(C)(C)C)ccc1O ZINC001233284637 1039059776 /nfs/dbraw/zinc/05/97/76/1039059776.db2.gz CAWOHBYFBGTSOS-IBGZPJMESA-N 1 2 384.524 3.603 20 30 GHEDLO CCCCCCCCCC[C@H](O)C[N@@H+]1CCc2c(nnn2CC)[C@@H]1COC ZINC001252978361 1039307688 /nfs/dbraw/zinc/30/76/88/1039307688.db2.gz ADWMJAKOAIVRFM-ICSRJNTNSA-N 1 2 380.577 3.735 20 30 GHEDLO CCCCCCCCCC[C@H](O)C[N@H+]1CCc2c(nnn2CC)[C@@H]1COC ZINC001252978361 1039307711 /nfs/dbraw/zinc/30/77/11/1039307711.db2.gz ADWMJAKOAIVRFM-ICSRJNTNSA-N 1 2 380.577 3.735 20 30 GHEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(F)c(F)c(Br)c1 ZINC001277862252 1040057022 /nfs/dbraw/zinc/05/70/22/1040057022.db2.gz OIMKIGZFVQSHQB-HZPDHXFCSA-N 1 2 399.279 3.869 20 30 GHEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(F)c(F)c(Br)c1 ZINC001277862252 1040057050 /nfs/dbraw/zinc/05/70/50/1040057050.db2.gz OIMKIGZFVQSHQB-HZPDHXFCSA-N 1 2 399.279 3.869 20 30 GHEDLO N#Cc1ccc(CSCC(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC001462461872 1070270929 /nfs/dbraw/zinc/27/09/29/1070270929.db2.gz RFXNMVJYOXXRQU-HXUWFJFHSA-N 1 2 376.485 3.546 20 30 GHEDLO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccc(OC)c(Cl)c1O)CC2 ZINC001236803216 1041904842 /nfs/dbraw/zinc/90/48/42/1041904842.db2.gz HWLSBALWZLSNQY-HXUWFJFHSA-N 1 2 378.900 3.587 20 30 GHEDLO C=CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1ccc(OC)c(Cl)c1O)CC2 ZINC001236803216 1041904843 /nfs/dbraw/zinc/90/48/43/1041904843.db2.gz HWLSBALWZLSNQY-HXUWFJFHSA-N 1 2 378.900 3.587 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](F)[C@@](O)(C(F)(F)F)CC2)cc1Br ZINC001236858018 1041931055 /nfs/dbraw/zinc/93/10/55/1041931055.db2.gz TZLVKNQBXMKFLZ-UONOGXRCSA-N 1 2 395.194 3.548 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CC[C@H](F)[C@@](O)(C(F)(F)F)CC2)cc1Br ZINC001236858018 1041931057 /nfs/dbraw/zinc/93/10/57/1041931057.db2.gz TZLVKNQBXMKFLZ-UONOGXRCSA-N 1 2 395.194 3.548 20 30 GHEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2csc(-c3ccc(OC)cc3)n2)C1 ZINC001237337924 1042155409 /nfs/dbraw/zinc/15/54/09/1042155409.db2.gz NKVJPPGKVFLUAI-MRXNPFEDSA-N 1 2 387.505 3.695 20 30 GHEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2csc(-c3ccc(OC)cc3)n2)C1 ZINC001237337924 1042155411 /nfs/dbraw/zinc/15/54/11/1042155411.db2.gz NKVJPPGKVFLUAI-MRXNPFEDSA-N 1 2 387.505 3.695 20 30 GHEDLO N#Cc1cc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)c(F)cc1F ZINC001237529350 1042252796 /nfs/dbraw/zinc/25/27/96/1042252796.db2.gz ZALYPXFCRMWMLR-UNMCSNQZSA-N 1 2 399.441 3.682 20 30 GHEDLO N#Cc1cc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)c(F)cc1F ZINC001237529350 1042252801 /nfs/dbraw/zinc/25/28/01/1042252801.db2.gz ZALYPXFCRMWMLR-UNMCSNQZSA-N 1 2 399.441 3.682 20 30 GHEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2c(C)cc(F)cc2Br)C1 ZINC001238569634 1042643821 /nfs/dbraw/zinc/64/38/21/1042643821.db2.gz VNBWKKBZZBIDBY-CQSZACIVSA-N 1 2 385.277 3.773 20 30 GHEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2c(C)cc(F)cc2Br)C1 ZINC001238569634 1042643823 /nfs/dbraw/zinc/64/38/23/1042643823.db2.gz VNBWKKBZZBIDBY-CQSZACIVSA-N 1 2 385.277 3.773 20 30 GHEDLO C=CCOC[C@H]1CCC[C@@]12C[N@H+]([C@@H]1COc3ccc(Cl)cc3C1)CCO2 ZINC001257964788 1044283838 /nfs/dbraw/zinc/28/38/38/1044283838.db2.gz RHFKIGUMEZZNDK-SLYNCCJLSA-N 1 2 377.912 3.717 20 30 GHEDLO C=CCOC[C@H]1CCC[C@@]12C[N@@H+]([C@@H]1COc3ccc(Cl)cc3C1)CCO2 ZINC001257964788 1044283854 /nfs/dbraw/zinc/28/38/54/1044283854.db2.gz RHFKIGUMEZZNDK-SLYNCCJLSA-N 1 2 377.912 3.717 20 30 GHEDLO C=C(C)Cn1c(CC2CCCC2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001300958826 1046260213 /nfs/dbraw/zinc/26/02/13/1046260213.db2.gz SLNNNDSDFWXDMC-UHFFFAOYSA-N 1 2 380.540 3.611 20 30 GHEDLO Cn1c([C@@H]2CCCC[N@@H+]2Cc2ccccc2)nnc1N1Cc2ccc(C#N)cc2C1 ZINC001262885122 1046401089 /nfs/dbraw/zinc/40/10/89/1046401089.db2.gz JXEDWXSYRFXYMC-QFIPXVFZSA-N 1 2 398.514 3.934 20 30 GHEDLO Cn1c([C@@H]2CCCC[N@H+]2Cc2ccccc2)nnc1N1Cc2ccc(C#N)cc2C1 ZINC001262885122 1046401093 /nfs/dbraw/zinc/40/10/93/1046401093.db2.gz JXEDWXSYRFXYMC-QFIPXVFZSA-N 1 2 398.514 3.934 20 30 GHEDLO C=CCCCn1c(C2CC2)nnc1N1CC[NH+](Cc2cc(F)ccc2OC)CC1 ZINC001301216209 1046409970 /nfs/dbraw/zinc/40/99/70/1046409970.db2.gz FGHPGZGHQCMGFN-UHFFFAOYSA-N 1 2 399.514 3.592 20 30 GHEDLO C=CCN(C)c1nnc(C(C)(C)C)n1C[C@H](c1c(F)cccc1F)[NH+](C)C ZINC001301267801 1046440222 /nfs/dbraw/zinc/44/02/22/1046440222.db2.gz AWHUPEUNPJRBLJ-MRXNPFEDSA-N 1 2 377.483 3.779 20 30 GHEDLO C=CCN(C)c1nnc(CC(C)C)n1Cc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC001301297738 1046462275 /nfs/dbraw/zinc/46/22/75/1046462275.db2.gz UPSHVJWGKBZJEV-UHFFFAOYSA-N 1 2 382.556 3.778 20 30 GHEDLO C=CCN(c1nnc(C(C)C)n1C[C@@H](c1ccccc1)[NH+]1CCOCC1)C1CC1 ZINC001301314181 1046478107 /nfs/dbraw/zinc/47/81/07/1046478107.db2.gz OSOYJBFSNKJPSC-NRFANRHFSA-N 1 2 395.551 3.630 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[C@H](COCc2ccccc2)C1 ZINC001263301366 1046699023 /nfs/dbraw/zinc/69/90/23/1046699023.db2.gz OATTWKMTCDAHEJ-LEWJYISDSA-N 1 2 395.551 3.664 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[C@H](COCc2ccccc2)C1 ZINC001263301366 1046699026 /nfs/dbraw/zinc/69/90/26/1046699026.db2.gz OATTWKMTCDAHEJ-LEWJYISDSA-N 1 2 395.551 3.664 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[C@@H](COCc2ccccc2)C1 ZINC001263301368 1046699236 /nfs/dbraw/zinc/69/92/36/1046699236.db2.gz OATTWKMTCDAHEJ-RTWAWAEBSA-N 1 2 395.551 3.664 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[C@@H](COCc2ccccc2)C1 ZINC001263301368 1046699241 /nfs/dbraw/zinc/69/92/41/1046699241.db2.gz OATTWKMTCDAHEJ-RTWAWAEBSA-N 1 2 395.551 3.664 20 30 GHEDLO Cc1cccc(CCCn2c(-c3ccc[nH]3)nnc2N2CCC(CC#N)CC2)[nH+]1 ZINC001304482620 1047688963 /nfs/dbraw/zinc/68/89/63/1047688963.db2.gz ORGSUOJNQLPBPI-UHFFFAOYSA-N 1 2 389.507 3.740 20 30 GHEDLO Cc1cccc(CCCn2c([C@H]3CCCO3)nnc2N(CCC#N)CC2CC2)[nH+]1 ZINC001304489439 1047690355 /nfs/dbraw/zinc/69/03/55/1047690355.db2.gz ZADNQISZRBUUBU-HXUWFJFHSA-N 1 2 394.523 3.596 20 30 GHEDLO C=CCN(C)c1nnc(-c2ccc(C)o2)n1Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001286719174 1048474316 /nfs/dbraw/zinc/47/43/16/1048474316.db2.gz JVSCAHZWJRKSGZ-UHFFFAOYSA-N 1 2 392.438 3.842 20 30 GHEDLO CC[C@H]1Cc2c(Br)cccc2C[N@@H+]1CC(=O)N(CC)C[C@H](C)C#N ZINC001307725337 1049538937 /nfs/dbraw/zinc/53/89/37/1049538937.db2.gz NUEQYHIFRSUVPI-ZBFHGGJFSA-N 1 2 392.341 3.594 20 30 GHEDLO CC[C@H]1Cc2c(Br)cccc2C[N@H+]1CC(=O)N(CC)C[C@H](C)C#N ZINC001307725337 1049538951 /nfs/dbraw/zinc/53/89/51/1049538951.db2.gz NUEQYHIFRSUVPI-ZBFHGGJFSA-N 1 2 392.341 3.594 20 30 GHEDLO N#Cc1ccc(-c2cc(N3CC[NH+](Cc4cc(F)cc(F)c4)CC3)n[nH]2)cc1 ZINC001307907342 1049685099 /nfs/dbraw/zinc/68/50/99/1049685099.db2.gz ANIIDISGEBIEQM-UHFFFAOYSA-N 1 2 379.414 3.549 20 30 GHEDLO COC(=O)[C@H](c1cccc(Br)c1)[N@H+](C)CCc1cccc(C#N)c1 ZINC001308015392 1049764990 /nfs/dbraw/zinc/76/49/90/1049764990.db2.gz FDAVOZOZKCPYCO-SFHVURJKSA-N 1 2 387.277 3.709 20 30 GHEDLO COC(=O)[C@H](c1cccc(Br)c1)[N@@H+](C)CCc1cccc(C#N)c1 ZINC001308015392 1049764998 /nfs/dbraw/zinc/76/49/98/1049764998.db2.gz FDAVOZOZKCPYCO-SFHVURJKSA-N 1 2 387.277 3.709 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCCC[C@]23CCOC3)c1C#N ZINC001308166703 1049897021 /nfs/dbraw/zinc/89/70/21/1049897021.db2.gz KGXUBLJPCDNJKU-JOCHJYFZSA-N 1 2 384.524 3.675 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCCC[C@]23CCOC3)c1C#N ZINC001308166703 1049897028 /nfs/dbraw/zinc/89/70/28/1049897028.db2.gz KGXUBLJPCDNJKU-JOCHJYFZSA-N 1 2 384.524 3.675 20 30 GHEDLO COCc1c(Cl)cccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001310413969 1051339614 /nfs/dbraw/zinc/33/96/14/1051339614.db2.gz JKQDCBMJYHHGMK-UHFFFAOYSA-N 1 2 398.894 3.708 20 30 GHEDLO COc1ccc(NC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)cc1C#N ZINC001311121259 1051876475 /nfs/dbraw/zinc/87/64/75/1051876475.db2.gz DXZZSEHAOQVKHA-UHFFFAOYSA-N 1 2 381.823 3.728 20 30 GHEDLO N#CCc1ccsc1C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001335481677 1052113146 /nfs/dbraw/zinc/11/31/46/1052113146.db2.gz CZKRYCHSTNMVMD-UHFFFAOYSA-N 1 2 379.489 3.929 20 30 GHEDLO C=CCO[C@H]1CC[N@@H+](Cc2ccc(Br)c(Br)c2)C1 ZINC001342324699 1053108578 /nfs/dbraw/zinc/10/85/78/1053108578.db2.gz JMHVQRSYKPKTBV-LBPRGKRZSA-N 1 2 375.104 3.989 20 30 GHEDLO C=CCO[C@H]1CC[N@H+](Cc2ccc(Br)c(Br)c2)C1 ZINC001342324699 1053108588 /nfs/dbraw/zinc/10/85/88/1053108588.db2.gz JMHVQRSYKPKTBV-LBPRGKRZSA-N 1 2 375.104 3.989 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001343494053 1053808847 /nfs/dbraw/zinc/80/88/47/1053808847.db2.gz CSSWHOIKJSRFER-ZWKOTPCHSA-N 1 2 386.544 3.690 20 30 GHEDLO CC(C)Cn1c([C@H]2C[C@@H]2C#N)nnc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001343556181 1053876648 /nfs/dbraw/zinc/87/66/48/1053876648.db2.gz AJRMMAIZOQZLAC-MJGOQNOKSA-N 1 2 398.942 3.537 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC001343578151 1053902638 /nfs/dbraw/zinc/90/26/38/1053902638.db2.gz UHWBFQVZVNKYGY-SXLOBPIMSA-N 1 2 398.555 3.690 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCc2c(CC#N)cccc2C1 ZINC001343928524 1054123606 /nfs/dbraw/zinc/12/36/06/1054123606.db2.gz PJUWRSJPQTZSNV-OAQYLSRUSA-N 1 2 390.535 3.640 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCc2c(CC#N)cccc2C1 ZINC001343928524 1054123614 /nfs/dbraw/zinc/12/36/14/1054123614.db2.gz PJUWRSJPQTZSNV-OAQYLSRUSA-N 1 2 390.535 3.640 20 30 GHEDLO CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC[N@@H+]2C)n1Cc1cccs1 ZINC001344652414 1054635573 /nfs/dbraw/zinc/63/55/73/1054635573.db2.gz AYXQJYRUKKCURT-LJQANCHMSA-N 1 2 392.532 3.663 20 30 GHEDLO CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC[N@H+]2C)n1Cc1cccs1 ZINC001344652414 1054635580 /nfs/dbraw/zinc/63/55/80/1054635580.db2.gz AYXQJYRUKKCURT-LJQANCHMSA-N 1 2 392.532 3.663 20 30 GHEDLO CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC[N@@H+]2C)n1Cc1cccs1 ZINC001344652413 1054635730 /nfs/dbraw/zinc/63/57/30/1054635730.db2.gz AYXQJYRUKKCURT-IBGZPJMESA-N 1 2 392.532 3.663 20 30 GHEDLO CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC[N@H+]2C)n1Cc1cccs1 ZINC001344652413 1054635740 /nfs/dbraw/zinc/63/57/40/1054635740.db2.gz AYXQJYRUKKCURT-IBGZPJMESA-N 1 2 392.532 3.663 20 30 GHEDLO N#CCC1CC[NH+](CC(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)CC1 ZINC001320101330 1055655402 /nfs/dbraw/zinc/65/54/02/1055655402.db2.gz CJVUHLRWACOIBM-UHFFFAOYSA-N 1 2 379.489 3.856 20 30 GHEDLO N#CCc1cccc(NC[C@H](c2ccc(C(F)(F)F)cc2)[NH+]2CCOCC2)n1 ZINC001320490145 1055836794 /nfs/dbraw/zinc/83/67/94/1055836794.db2.gz LQIMDBTYPHIUHK-GOSISDBHSA-N 1 2 390.409 3.652 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N(C)Cc1ccccn1 ZINC001356074372 1057379082 /nfs/dbraw/zinc/37/90/82/1057379082.db2.gz HORMRAOROBVPSR-SFHVURJKSA-N 1 2 376.508 3.689 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N(C)Cc1ccccn1 ZINC001356074372 1057379087 /nfs/dbraw/zinc/37/90/87/1057379087.db2.gz HORMRAOROBVPSR-SFHVURJKSA-N 1 2 376.508 3.689 20 30 GHEDLO C=CCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC001337649798 1058203630 /nfs/dbraw/zinc/20/36/30/1058203630.db2.gz LZJUFZJPVQNMJV-HKUYNNGSSA-N 1 2 378.472 3.522 20 30 GHEDLO C=CCO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC001337649798 1058203641 /nfs/dbraw/zinc/20/36/41/1058203641.db2.gz LZJUFZJPVQNMJV-HKUYNNGSSA-N 1 2 378.472 3.522 20 30 GHEDLO Cc1ccccc1[C@H]1C[C@H](C)N(c2nnc(C3CC[NH+](CCC#N)CC3)n2C)C1 ZINC001338924478 1058885899 /nfs/dbraw/zinc/88/58/99/1058885899.db2.gz MACBBXVJHCQABK-ICSRJNTNSA-N 1 2 392.551 3.599 20 30 GHEDLO C=CCn1c(-c2cc(C)cc(C)n2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001338970244 1058908627 /nfs/dbraw/zinc/90/86/27/1058908627.db2.gz FNIJQXRAPUZPQZ-UHFFFAOYSA-N 1 2 389.507 3.619 20 30 GHEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@@H](COCC)C1 ZINC001338995536 1058917660 /nfs/dbraw/zinc/91/76/60/1058917660.db2.gz QZUWVERGHNNAFP-UYAOXDASSA-N 1 2 383.540 3.520 20 30 GHEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@@H](COCC)C1 ZINC001338995536 1058917661 /nfs/dbraw/zinc/91/76/61/1058917661.db2.gz QZUWVERGHNNAFP-UYAOXDASSA-N 1 2 383.540 3.520 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2Cc2ccccc2)nnc1N1C[C@@H](C)C[C@@H]1C ZINC001339210730 1059014222 /nfs/dbraw/zinc/01/42/22/1059014222.db2.gz KQRWMSGCWIHYAL-ROUUACIJSA-N 1 2 376.508 3.534 20 30 GHEDLO COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC001442874174 1059023671 /nfs/dbraw/zinc/02/36/71/1059023671.db2.gz FXNXBOHKSYRPRH-INIZCTEOSA-N 1 2 388.427 3.757 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@]2(CC=CCC2)C1 ZINC001339502948 1059259910 /nfs/dbraw/zinc/25/99/10/1059259910.db2.gz XERRHVKSTNRDBG-JOCHJYFZSA-N 1 2 382.556 3.718 20 30 GHEDLO C=CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCc2ccsc2[C@@H]1C ZINC001340626677 1060000786 /nfs/dbraw/zinc/00/07/86/1060000786.db2.gz AUBIQSOYHCAACN-INIZCTEOSA-N 1 2 396.564 3.742 20 30 GHEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 ZINC001341749307 1060858673 /nfs/dbraw/zinc/85/86/73/1060858673.db2.gz DUAMEGINMQXOSH-UHFFFAOYSA-N 1 2 388.519 3.615 20 30 GHEDLO C=C(C)Cn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@H](COCC)C1 ZINC001342004924 1060992403 /nfs/dbraw/zinc/99/24/03/1060992403.db2.gz RURABFXFUKGUKG-CTNGQTDRSA-N 1 2 397.567 3.910 20 30 GHEDLO C=C(C)Cn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@H](COCC)C1 ZINC001342004924 1060992406 /nfs/dbraw/zinc/99/24/06/1060992406.db2.gz RURABFXFUKGUKG-CTNGQTDRSA-N 1 2 397.567 3.910 20 30 GHEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCc2ccccc2[C@H]1C ZINC001342012948 1060996160 /nfs/dbraw/zinc/99/61/60/1060996160.db2.gz OMUYZWXWXKKIDB-QFUCXCTJSA-N 1 2 393.535 3.514 20 30 GHEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCc2ccccc2[C@H]1C ZINC001342012948 1060996162 /nfs/dbraw/zinc/99/61/62/1060996162.db2.gz OMUYZWXWXKKIDB-QFUCXCTJSA-N 1 2 393.535 3.514 20 30 GHEDLO CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC[N@@H+]2C)n1Cc1cccs1 ZINC001345968972 1061250616 /nfs/dbraw/zinc/25/06/16/1061250616.db2.gz FARZKJIFNIWHFF-IBGZPJMESA-N 1 2 392.532 3.663 20 30 GHEDLO CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC[N@H+]2C)n1Cc1cccs1 ZINC001345968972 1061250635 /nfs/dbraw/zinc/25/06/35/1061250635.db2.gz FARZKJIFNIWHFF-IBGZPJMESA-N 1 2 392.532 3.663 20 30 GHEDLO C[NH+](C)Cc1nc(CNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)co1 ZINC001456361922 1062636461 /nfs/dbraw/zinc/63/64/61/1062636461.db2.gz MZECSMPXFRTBQH-UHFFFAOYSA-N 1 2 390.443 3.525 20 30 GHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1c[nH]c2cccc(C#N)c21 ZINC001349147157 1063571463 /nfs/dbraw/zinc/57/14/63/1063571463.db2.gz MMZQMBZSMWFENP-UHFFFAOYSA-N 1 2 387.487 3.813 20 30 GHEDLO CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC001350055929 1063974904 /nfs/dbraw/zinc/97/49/04/1063974904.db2.gz CORKTMQCAXCFAV-WOJBJXKFSA-N 1 2 389.503 3.598 20 30 GHEDLO CN(C)c1cc(C#N)cc(C(=O)N2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)c1 ZINC001350904911 1064215744 /nfs/dbraw/zinc/21/57/44/1064215744.db2.gz QQLHCOZPNQFKNV-QGZVFWFLSA-N 1 2 379.508 3.596 20 30 GHEDLO CC(C)[C@H](C#N)N1CC[NH+]([C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC001459884781 1064256384 /nfs/dbraw/zinc/25/63/84/1064256384.db2.gz WWHDEVMKAVMZJU-MOPGFXCFSA-N 1 2 376.342 3.992 20 30 GHEDLO Cn1c[nH+]cc1C1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)CC1 ZINC001351115748 1064270677 /nfs/dbraw/zinc/27/06/77/1064270677.db2.gz LEYLWCJIXMNTGD-UHFFFAOYSA-N 1 2 375.476 3.698 20 30 GHEDLO COC(=O)c1cccc(C[N@@H+]2CCCN(c3ccccc3Cl)CC2)c1C#N ZINC001460062026 1064387304 /nfs/dbraw/zinc/38/73/04/1064387304.db2.gz MYHJUDYPFMXFDO-UHFFFAOYSA-N 1 2 383.879 3.711 20 30 GHEDLO COC(=O)c1cccc(C[N@H+]2CCCN(c3ccccc3Cl)CC2)c1C#N ZINC001460062026 1064387316 /nfs/dbraw/zinc/38/73/16/1064387316.db2.gz MYHJUDYPFMXFDO-UHFFFAOYSA-N 1 2 383.879 3.711 20 30 GHEDLO CCN(CCc1cccs1)c1nnc(C2CC[NH+](CCC#N)CC2)n1CC ZINC001352494123 1065079048 /nfs/dbraw/zinc/07/90/48/1065079048.db2.gz DEPMIMDUFXYLHN-UHFFFAOYSA-N 1 2 386.569 3.522 20 30 GHEDLO C#C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001300276449 1065907847 /nfs/dbraw/zinc/90/78/47/1065907847.db2.gz MWVWTKZECPTKFI-HNNXBMFYSA-N 1 2 394.910 3.566 20 30 GHEDLO CCCCCCCCCNC(=S)N1CCN(c2cc[nH+]c(OC)c2)CC1 ZINC001200376774 1066026106 /nfs/dbraw/zinc/02/61/06/1066026106.db2.gz MYWBXWVSQUIKQY-UHFFFAOYSA-N 1 2 378.586 3.837 20 30 GHEDLO Cc1oc(NC(=O)C[NH+]2CCC(Cc3c(F)cccc3F)CC2)c(C#N)c1C ZINC001473543866 1067564649 /nfs/dbraw/zinc/56/46/49/1067564649.db2.gz FTSDNKACLYHHAF-UHFFFAOYSA-N 1 2 387.430 3.940 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3)n2C2CC(C(C)(C)C)C2)CC1 ZINC001359032802 1067659401 /nfs/dbraw/zinc/65/94/01/1067659401.db2.gz DBDMPQRPMTYVHL-UHFFFAOYSA-N 1 2 377.536 3.698 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(CC)cc3)n2CC2CC(C)(C)C2)CC1 ZINC001359032264 1067659473 /nfs/dbraw/zinc/65/94/73/1067659473.db2.gz IBKGUVBYDKQQKD-UHFFFAOYSA-N 1 2 391.563 3.699 20 30 GHEDLO C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1CCCNc1cccc[nH+]1 ZINC001359113047 1067691814 /nfs/dbraw/zinc/69/18/14/1067691814.db2.gz YNYYVOOEAPHDIF-GOSISDBHSA-N 1 2 384.528 3.819 20 30 GHEDLO C=C1CCN(c2nnc(C(C)C)n2Cc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC001359158842 1067716638 /nfs/dbraw/zinc/71/66/38/1067716638.db2.gz GKUUKYIFZHGBFF-UHFFFAOYSA-N 1 2 376.508 3.851 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Br)C[C@@H]1NC(=O)OC(C)(C)C ZINC000769875170 1068401571 /nfs/dbraw/zinc/40/15/71/1068401571.db2.gz VHRMRGHXCGYFAF-WBMJQRKESA-N 1 2 394.313 3.666 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Br)C[C@@H]1NC(=O)OC(C)(C)C ZINC000769875170 1068401576 /nfs/dbraw/zinc/40/15/76/1068401576.db2.gz VHRMRGHXCGYFAF-WBMJQRKESA-N 1 2 394.313 3.666 20 30 GHEDLO C=C[C@H](CO)[NH2+][C@H](C(=O)Nc1nc(-c2ccc(C)cc2)cs1)c1ccccc1 ZINC001460513448 1068982979 /nfs/dbraw/zinc/98/29/79/1068982979.db2.gz OROJYLWQKXQJMI-QUCCMNQESA-N 1 2 393.512 3.935 20 30 GHEDLO COc1ccc(-c2noc([C@@H](C)[NH+]3CCN(c4ccc(C#N)cc4)CC3)n2)cc1 ZINC001460637088 1069045804 /nfs/dbraw/zinc/04/58/04/1069045804.db2.gz LHRVSTRFWUTYED-MRXNPFEDSA-N 1 2 389.459 3.500 20 30 GHEDLO C#CC[N@@H+](Cc1ccc(S(=O)(=O)N2CCCC2)o1)[C@H]1CCCc2ccccc21 ZINC001460825731 1069203479 /nfs/dbraw/zinc/20/34/79/1069203479.db2.gz LCTYYLIQZGWPIP-NRFANRHFSA-N 1 2 398.528 3.577 20 30 GHEDLO C#CC[N@H+](Cc1ccc(S(=O)(=O)N2CCCC2)o1)[C@H]1CCCc2ccccc21 ZINC001460825731 1069203485 /nfs/dbraw/zinc/20/34/85/1069203485.db2.gz LCTYYLIQZGWPIP-NRFANRHFSA-N 1 2 398.528 3.577 20 30 GHEDLO CN(C)c1ccc([NH+]2CCC(Nc3cc(F)c(C#N)cc3[N+](=O)[O-])CC2)cc1 ZINC001472706566 1073628105 /nfs/dbraw/zinc/62/81/05/1073628105.db2.gz MOJIJTQLUAOXKF-UHFFFAOYSA-N 1 2 383.427 3.752 20 30 GHEDLO C#CC[N@@H+](CC(=O)Nc1nnc(CCCCC)s1)[C@@H]1CCc2ccccc21 ZINC001473122174 1073789859 /nfs/dbraw/zinc/78/98/59/1073789859.db2.gz RUMVOMRMPOGCPB-GOSISDBHSA-N 1 2 382.533 3.832 20 30 GHEDLO C#CC[N@H+](CC(=O)Nc1nnc(CCCCC)s1)[C@@H]1CCc2ccccc21 ZINC001473122174 1073789867 /nfs/dbraw/zinc/78/98/67/1073789867.db2.gz RUMVOMRMPOGCPB-GOSISDBHSA-N 1 2 382.533 3.832 20 30 GHEDLO CC(C)[C@@H]1C[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CCS1 ZINC001473188569 1073841520 /nfs/dbraw/zinc/84/15/20/1073841520.db2.gz CHWHTLSMRVUTPD-KRWDZBQOSA-N 1 2 377.579 3.901 20 30 GHEDLO CC(C)[C@@H]1C[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CCS1 ZINC001473188569 1073841527 /nfs/dbraw/zinc/84/15/27/1073841527.db2.gz CHWHTLSMRVUTPD-KRWDZBQOSA-N 1 2 377.579 3.901 20 30 GHEDLO CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)C[NH2+][C@H](CC)CC#N ZINC001473532814 1074005754 /nfs/dbraw/zinc/00/57/54/1074005754.db2.gz PSLZERHVSFVWJY-OAHLLOKOSA-N 1 2 385.489 3.812 20 30 GHEDLO Cc1cc(C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)ccc1C(F)(F)F ZINC001474424764 1074400400 /nfs/dbraw/zinc/40/04/00/1074400400.db2.gz PORCFBAKCLBQCZ-GOEBONIOSA-N 1 2 383.414 3.863 20 30 GHEDLO CC[C@@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccccc1-n1cc[nH+]c1 ZINC001495085506 1079380674 /nfs/dbraw/zinc/38/06/74/1079380674.db2.gz BFMZTZDEBXBZDD-DLBZAZTESA-N 1 2 377.496 3.621 20 30 GHEDLO C=CC[N@@H+](Cc1nc2cc(F)ccc2n1CC)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735425478 598459986 /nfs/dbraw/zinc/45/99/86/598459986.db2.gz BCIXROHSYBBYON-UHFFFAOYSA-N 1 2 391.454 3.564 20 30 GHEDLO C=CC[N@H+](Cc1nc2cc(F)ccc2n1CC)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735425478 598459988 /nfs/dbraw/zinc/45/99/88/598459988.db2.gz BCIXROHSYBBYON-UHFFFAOYSA-N 1 2 391.454 3.564 20 30 GHEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000580609418 837385890 /nfs/dbraw/zinc/38/58/90/837385890.db2.gz DHFHRCYBMYNDDC-CYBMUJFWSA-N 1 2 381.863 3.792 20 30 GHEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000580609418 837385895 /nfs/dbraw/zinc/38/58/95/837385895.db2.gz DHFHRCYBMYNDDC-CYBMUJFWSA-N 1 2 381.863 3.792 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1 ZINC000583534165 834588085 /nfs/dbraw/zinc/58/80/85/834588085.db2.gz APRTWYLCNLVBOF-HKUYNNGSSA-N 1 2 399.926 3.736 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1 ZINC000583534165 834588090 /nfs/dbraw/zinc/58/80/90/834588090.db2.gz APRTWYLCNLVBOF-HKUYNNGSSA-N 1 2 399.926 3.736 20 30 GHEDLO C=CCOc1ccc(C[NH+]2CCC3(CC2)CCS(=O)(=O)CC3)cc1Cl ZINC000430205541 835069642 /nfs/dbraw/zinc/06/96/42/835069642.db2.gz UJARKYUBAVADLY-UHFFFAOYSA-N 1 2 383.941 3.696 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H](c3ccccc3)C3CCC3)CC2)cc1 ZINC000511301229 835098158 /nfs/dbraw/zinc/09/81/58/835098158.db2.gz PTYBBQPQTQEDRR-HSZRJFAPSA-N 1 2 388.515 3.927 20 30 GHEDLO CON=Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000255583642 835519611 /nfs/dbraw/zinc/51/96/11/835519611.db2.gz RWWSNCFRNOYGJU-RTBURBONSA-N 1 2 389.858 3.635 20 30 GHEDLO CON=Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000255583642 835519613 /nfs/dbraw/zinc/51/96/13/835519613.db2.gz RWWSNCFRNOYGJU-RTBURBONSA-N 1 2 389.858 3.635 20 30 GHEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000164935350 835762649 /nfs/dbraw/zinc/76/26/49/835762649.db2.gz FBFUWWCEXIVKMZ-QGZVFWFLSA-N 1 2 381.480 3.566 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000612174355 835777891 /nfs/dbraw/zinc/77/78/91/835777891.db2.gz FECCOCBUTRDEJY-CZUORRHYSA-N 1 2 399.491 3.728 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000612174355 835777898 /nfs/dbraw/zinc/77/78/98/835777898.db2.gz FECCOCBUTRDEJY-CZUORRHYSA-N 1 2 399.491 3.728 20 30 GHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000512537712 844092539 /nfs/dbraw/zinc/09/25/39/844092539.db2.gz XIGDGKMIZDZJIM-UHFFFAOYSA-N 1 2 385.899 3.704 20 30 GHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000512537712 844092544 /nfs/dbraw/zinc/09/25/44/844092544.db2.gz XIGDGKMIZDZJIM-UHFFFAOYSA-N 1 2 385.899 3.704 20 30 GHEDLO N#Cc1ccc2ncc(C[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)n2c1 ZINC000179526267 835862732 /nfs/dbraw/zinc/86/27/32/835862732.db2.gz BGFVJUKUGDDNRW-UHFFFAOYSA-N 1 2 385.393 3.547 20 30 GHEDLO Cc1ccc(S(=O)(=O)n2ccc(C(=O)/C=C/c3c[nH+]c4ccccn34)c2)cc1 ZINC000134661117 835884633 /nfs/dbraw/zinc/88/46/33/835884633.db2.gz ABTULXUZNBVKFU-JXMROGBWSA-N 1 2 391.452 3.577 20 30 GHEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000155001945 836282725 /nfs/dbraw/zinc/28/27/25/836282725.db2.gz FLCBTXCBWOXYAV-SFHVURJKSA-N 1 2 380.517 3.817 20 30 GHEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000155001945 836282734 /nfs/dbraw/zinc/28/27/34/836282734.db2.gz FLCBTXCBWOXYAV-SFHVURJKSA-N 1 2 380.517 3.817 20 30 GHEDLO N#Cc1ccc(NC(=O)C[NH+]2CCC(Nc3ccc(F)cc3)CC2)cc1Cl ZINC000170651251 836530438 /nfs/dbraw/zinc/53/04/38/836530438.db2.gz SLXDXQCITIEOKO-UHFFFAOYSA-N 1 2 386.858 3.866 20 30 GHEDLO CC1(C)C[N@H+](Cc2ccc(C#N)cc2F)CCN1Cc1ccc(C#N)cc1F ZINC000471276286 836779608 /nfs/dbraw/zinc/77/96/08/836779608.db2.gz IFQJOVWGDKVCGB-UHFFFAOYSA-N 1 2 380.442 3.805 20 30 GHEDLO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2F)CCN1Cc1ccc(C#N)cc1F ZINC000471276286 836779610 /nfs/dbraw/zinc/77/96/10/836779610.db2.gz IFQJOVWGDKVCGB-UHFFFAOYSA-N 1 2 380.442 3.805 20 30 GHEDLO CC1(C)CN(Cc2ccc(C#N)cc2F)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000471276286 836779612 /nfs/dbraw/zinc/77/96/12/836779612.db2.gz IFQJOVWGDKVCGB-UHFFFAOYSA-N 1 2 380.442 3.805 20 30 GHEDLO CC1(C)CN(Cc2ccc(C#N)cc2F)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC000471276286 836779618 /nfs/dbraw/zinc/77/96/18/836779618.db2.gz IFQJOVWGDKVCGB-UHFFFAOYSA-N 1 2 380.442 3.805 20 30 GHEDLO Cc1ccc(S(=O)(=O)n2ccc(C(=O)/C=C/c3cccc4[nH+]ccn43)c2)cc1 ZINC000180313867 837088246 /nfs/dbraw/zinc/08/82/46/837088246.db2.gz KZBFYESUOAWQPS-JXMROGBWSA-N 1 2 391.452 3.577 20 30 GHEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3cccc(SCC#N)c3)CC2)c1 ZINC000176043927 837131018 /nfs/dbraw/zinc/13/10/18/837131018.db2.gz FBGNCNHJBXQQGX-QGZVFWFLSA-N 1 2 395.528 3.830 20 30 GHEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3ccc(F)cc3C#N)CC2)c1 ZINC000177904793 838242753 /nfs/dbraw/zinc/24/27/53/838242753.db2.gz NXWYYNDNODXTHV-HNNXBMFYSA-N 1 2 382.439 3.617 20 30 GHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ccc(F)cc1C#N ZINC000177924325 838248864 /nfs/dbraw/zinc/24/88/64/838248864.db2.gz COTGSNHPNCEFKL-UHFFFAOYSA-N 1 2 381.455 3.863 20 30 GHEDLO Cc1ccc(C#N)cc1NC(=O)N1CCC2(C[C@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000275824592 839248256 /nfs/dbraw/zinc/24/82/56/839248256.db2.gz UYEWDVHVYQHMQX-GOSISDBHSA-N 1 2 395.532 3.842 20 30 GHEDLO Cc1ccc(C#N)cc1NC(=O)N1CCC2(C[C@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000275824592 839248266 /nfs/dbraw/zinc/24/82/66/839248266.db2.gz UYEWDVHVYQHMQX-GOSISDBHSA-N 1 2 395.532 3.842 20 30 GHEDLO C[C@@](CO)([NH2+]Cc1ccc(Cl)cc1C#N)c1ccc(Br)cc1 ZINC000511560202 839309332 /nfs/dbraw/zinc/30/93/32/839309332.db2.gz DZMDIVYAGRGXBC-KRWDZBQOSA-N 1 2 379.685 3.971 20 30 GHEDLO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000416703062 839539858 /nfs/dbraw/zinc/53/98/58/839539858.db2.gz YROIJNNFAORQIP-QFIPXVFZSA-N 1 2 385.471 3.680 20 30 GHEDLO C=C(C)Cn1c(CCCC)nnc1N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000549263263 839686954 /nfs/dbraw/zinc/68/69/54/839686954.db2.gz WODLRVCRVZJYLG-UHFFFAOYSA-N 1 2 397.571 3.745 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4[nH]3)cc2)C[C@H](C)O1 ZINC000580732817 840083266 /nfs/dbraw/zinc/08/32/66/840083266.db2.gz KNCWJUGUJHEGGQ-JTDSTZFVSA-N 1 2 388.471 3.662 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4[nH]3)cc2)C[C@H](C)O1 ZINC000580732817 840083269 /nfs/dbraw/zinc/08/32/69/840083269.db2.gz KNCWJUGUJHEGGQ-JTDSTZFVSA-N 1 2 388.471 3.662 20 30 GHEDLO CSc1cc(C)ccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000417225281 840604956 /nfs/dbraw/zinc/60/49/56/840604956.db2.gz JCOKQIPQYRQTAP-UHFFFAOYSA-N 1 2 380.517 3.938 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+](C)[C@@H]2CCc3ccccc32)c1=S ZINC000177916076 840723324 /nfs/dbraw/zinc/72/33/24/840723324.db2.gz RSFOUOHWMFHCCK-GOSISDBHSA-N 1 2 378.505 3.634 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+](C)[C@@H]2CCc3ccccc32)c1=S ZINC000177916076 840723331 /nfs/dbraw/zinc/72/33/31/840723331.db2.gz RSFOUOHWMFHCCK-GOSISDBHSA-N 1 2 378.505 3.634 20 30 GHEDLO C=CCn1c(C)cc(C(O)=CONC(=[NH2+])c2cccc(C(F)(F)F)c2)c1C ZINC000217707228 840979717 /nfs/dbraw/zinc/97/97/17/840979717.db2.gz DUKMSHJUWLNWDV-UHFFFAOYSA-N 1 2 379.382 3.830 20 30 GHEDLO C=CCOc1c(Cl)cc(C[NH2+]Cc2ccccc2S(C)(=O)=O)cc1OC ZINC000623549902 861193413 /nfs/dbraw/zinc/19/34/13/861193413.db2.gz UGANLVDACNNMNP-UHFFFAOYSA-N 1 2 395.908 3.607 20 30 GHEDLO Cc1cn2cc(NC(=O)C3(NC(=O)c4c(C)nn(C)c4C)CCCC3)ccc2[nH+]1 ZINC000329250800 861206584 /nfs/dbraw/zinc/20/65/84/861206584.db2.gz XUOUEFZGQYNWEI-UHFFFAOYSA-N 1 2 394.479 3.899 20 30 GHEDLO O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329293530 861256501 /nfs/dbraw/zinc/25/65/01/861256501.db2.gz ROYHOPDZGHLLHZ-CQSZACIVSA-N 1 2 391.878 3.575 20 30 GHEDLO O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329293530 861256521 /nfs/dbraw/zinc/25/65/21/861256521.db2.gz ROYHOPDZGHLLHZ-CQSZACIVSA-N 1 2 391.878 3.575 20 30 GHEDLO CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000796712568 842175907 /nfs/dbraw/zinc/17/59/07/842175907.db2.gz XVFAMVCBIWJSKH-INIZCTEOSA-N 1 2 394.313 3.810 20 30 GHEDLO CC(C)NC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1Br ZINC000796712568 842175909 /nfs/dbraw/zinc/17/59/09/842175909.db2.gz XVFAMVCBIWJSKH-INIZCTEOSA-N 1 2 394.313 3.810 20 30 GHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCCC(F)(F)CC2)c1C#N ZINC000599552545 861323657 /nfs/dbraw/zinc/32/36/57/861323657.db2.gz KJUDQBBTYCUWHB-UHFFFAOYSA-N 1 2 390.434 3.678 20 30 GHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCCC(F)(F)CC2)c1C#N ZINC000599552545 861323682 /nfs/dbraw/zinc/32/36/82/861323682.db2.gz KJUDQBBTYCUWHB-UHFFFAOYSA-N 1 2 390.434 3.678 20 30 GHEDLO CCc1noc([C@@H]2CCC[N@H+](Cc3cc(Br)ccc3C#N)C2)n1 ZINC001141904773 861341451 /nfs/dbraw/zinc/34/14/51/861341451.db2.gz CVQPYYCVORGYFM-CYBMUJFWSA-N 1 2 375.270 3.646 20 30 GHEDLO CCc1noc([C@@H]2CCC[N@@H+](Cc3cc(Br)ccc3C#N)C2)n1 ZINC001141904773 861341462 /nfs/dbraw/zinc/34/14/62/861341462.db2.gz CVQPYYCVORGYFM-CYBMUJFWSA-N 1 2 375.270 3.646 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000512228645 843149695 /nfs/dbraw/zinc/14/96/95/843149695.db2.gz OORYVROFXGGQRP-LJQANCHMSA-N 1 2 384.520 3.976 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000512228645 843149697 /nfs/dbraw/zinc/14/96/97/843149697.db2.gz OORYVROFXGGQRP-LJQANCHMSA-N 1 2 384.520 3.976 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N[C@H](C)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000329410982 861388049 /nfs/dbraw/zinc/38/80/49/861388049.db2.gz DUJISPAJJGACGU-PZHPECJOSA-N 1 2 383.414 3.951 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N[C@H](C)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000329410982 861388065 /nfs/dbraw/zinc/38/80/65/861388065.db2.gz DUJISPAJJGACGU-PZHPECJOSA-N 1 2 383.414 3.951 20 30 GHEDLO C=CCOc1ccc(Br)cc1NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000458047303 843578530 /nfs/dbraw/zinc/57/85/30/843578530.db2.gz ZFFVDIMDBFKGGY-GFCCVEGCSA-N 1 2 376.254 3.796 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(Cc3nc(-c4cccc(Cl)c4)no3)CC2)cc1 ZINC000023258544 843601639 /nfs/dbraw/zinc/60/16/39/843601639.db2.gz ZISRQGBKCFDJCB-UHFFFAOYSA-N 1 2 393.878 3.579 20 30 GHEDLO COC(=O)[C@@H](c1ccccc1C)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512818642 843813756 /nfs/dbraw/zinc/81/37/56/843813756.db2.gz WQFXBJPDOWCFNE-OAQYLSRUSA-N 1 2 382.435 3.763 20 30 GHEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000047028479 844715313 /nfs/dbraw/zinc/71/53/13/844715313.db2.gz VSRXZHKLSWRQSI-KRWDZBQOSA-N 1 2 389.459 3.738 20 30 GHEDLO Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000329490027 861522899 /nfs/dbraw/zinc/52/28/99/861522899.db2.gz UZNNNCXGFUJYLS-KRWDZBQOSA-N 1 2 399.543 3.670 20 30 GHEDLO Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000329490027 861522914 /nfs/dbraw/zinc/52/29/14/861522914.db2.gz UZNNNCXGFUJYLS-KRWDZBQOSA-N 1 2 399.543 3.670 20 30 GHEDLO CCOc1ccc(C#N)cc1NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000183759879 847036648 /nfs/dbraw/zinc/03/66/48/847036648.db2.gz FTQGGCIQMWZKKD-HNNXBMFYSA-N 1 2 384.505 3.929 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cc(C#N)ccc2Cl)[C@H](C)C1 ZINC000582411514 847174783 /nfs/dbraw/zinc/17/47/83/847174783.db2.gz DMVUBJPVTPFIMY-MRXNPFEDSA-N 1 2 397.906 3.957 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cc(C#N)ccc2Cl)[C@H](C)C1 ZINC000582411514 847174791 /nfs/dbraw/zinc/17/47/91/847174791.db2.gz DMVUBJPVTPFIMY-MRXNPFEDSA-N 1 2 397.906 3.957 20 30 GHEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@]3(C2)CCc2ccccc2O3)c(C#N)c1C ZINC000562046355 847248429 /nfs/dbraw/zinc/24/84/29/847248429.db2.gz MYBBUTMXBYHDNF-OAQYLSRUSA-N 1 2 381.501 3.645 20 30 GHEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)c(C#N)c1C ZINC000562046355 847248442 /nfs/dbraw/zinc/24/84/42/847248442.db2.gz MYBBUTMXBYHDNF-OAQYLSRUSA-N 1 2 381.501 3.645 20 30 GHEDLO C=C(C)[C@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C1(C)C)c1ccc(F)c(F)c1 ZINC000481585456 861771198 /nfs/dbraw/zinc/77/11/98/861771198.db2.gz IECSAZSFCQVHSH-FQEVSTJZSA-N 1 2 399.441 3.936 20 30 GHEDLO CC(C)c1ccccc1OCCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000501835024 847266018 /nfs/dbraw/zinc/26/60/18/847266018.db2.gz YGDGNIBJCZFTML-UHFFFAOYSA-N 1 2 391.515 3.795 20 30 GHEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2Cc2ccccc2Cl)c1 ZINC000513784510 847483515 /nfs/dbraw/zinc/48/35/15/847483515.db2.gz SSQVXPFWLFRUFI-GOSISDBHSA-N 1 2 388.920 3.692 20 30 GHEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2Cc2ccccc2Cl)c1 ZINC000513784510 847483520 /nfs/dbraw/zinc/48/35/20/847483520.db2.gz SSQVXPFWLFRUFI-GOSISDBHSA-N 1 2 388.920 3.692 20 30 GHEDLO Cc1cc(C)cc([C@@H](C)NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000502173211 847556261 /nfs/dbraw/zinc/55/62/61/847556261.db2.gz QFVHKEAJDZMIGR-LJQANCHMSA-N 1 2 376.504 3.764 20 30 GHEDLO Cn1nc2c(c1CNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)CCCC2 ZINC000329629527 861820949 /nfs/dbraw/zinc/82/09/49/861820949.db2.gz QHPHTFIMNOCGPE-FQEVSTJZSA-N 1 2 384.549 3.546 20 30 GHEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3cc(C#N)ccc3Cl)CC2)c1 ZINC000511187100 848126765 /nfs/dbraw/zinc/12/67/65/848126765.db2.gz AHWQTWCODNXXMT-HNNXBMFYSA-N 1 2 383.879 3.739 20 30 GHEDLO N#CCc1ccc(Oc2ccc(C(=O)N3CC[NH2+][C@@H](c4ccncc4)C3)cc2)cc1 ZINC000505530489 849807866 /nfs/dbraw/zinc/80/78/66/849807866.db2.gz RHZFJQPFXJXSGF-HSZRJFAPSA-N 1 2 398.466 3.727 20 30 GHEDLO C=C(C)COc1cc(CNc2ccc[nH+]c2N2CCC(CO)CC2)ccc1OC ZINC000180300669 862062148 /nfs/dbraw/zinc/06/21/48/862062148.db2.gz WOKVZORETIESSM-UHFFFAOYSA-N 1 2 397.519 3.866 20 30 GHEDLO C[C@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000514738276 850220928 /nfs/dbraw/zinc/22/09/28/850220928.db2.gz XJLFIYKEPYLDJP-HNNXBMFYSA-N 1 2 393.878 3.972 20 30 GHEDLO C[C@H]1CN(c2cccc(Cl)c2)CC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000514738276 850220937 /nfs/dbraw/zinc/22/09/37/850220937.db2.gz XJLFIYKEPYLDJP-HNNXBMFYSA-N 1 2 393.878 3.972 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)cc1Cl ZINC000481711594 862111566 /nfs/dbraw/zinc/11/15/66/862111566.db2.gz ZNIRNDQHBDQRBO-OAQYLSRUSA-N 1 2 381.863 3.672 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)cc1Cl ZINC000481711594 862111574 /nfs/dbraw/zinc/11/15/74/862111574.db2.gz ZNIRNDQHBDQRBO-OAQYLSRUSA-N 1 2 381.863 3.672 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000514845411 850360326 /nfs/dbraw/zinc/36/03/26/850360326.db2.gz HINOBFPAJWGDAJ-JWWGGVBKSA-N 1 2 381.426 3.502 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000514845411 850360333 /nfs/dbraw/zinc/36/03/33/850360333.db2.gz HINOBFPAJWGDAJ-JWWGGVBKSA-N 1 2 381.426 3.502 20 30 GHEDLO C=CCOc1ccc(C(=O)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)cc1OC ZINC000519089384 850596488 /nfs/dbraw/zinc/59/64/88/850596488.db2.gz MIDQSBBVFIVKND-QGZVFWFLSA-N 1 2 398.478 3.918 20 30 GHEDLO Cc1ccc([C@@H]([NH2+]CC#Cc2ccccc2Cl)[C@H](C)S(C)(=O)=O)cc1 ZINC000435907917 850976111 /nfs/dbraw/zinc/97/61/11/850976111.db2.gz MHYHVMXNBYCBSY-JXFKEZNVSA-N 1 2 375.921 3.764 20 30 GHEDLO Cc1ccc([C@H]([NH2+]CC#Cc2ccccc2Cl)[C@H](C)S(C)(=O)=O)cc1 ZINC000435907918 850976675 /nfs/dbraw/zinc/97/66/75/850976675.db2.gz MHYHVMXNBYCBSY-OXJNMPFZSA-N 1 2 375.921 3.764 20 30 GHEDLO N#C[C@H]1C[N@@H+](Cc2ccccc2Oc2cccnc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513976424 851069096 /nfs/dbraw/zinc/06/90/96/851069096.db2.gz WSXLPIGNQKNLJL-MHECFPHRSA-N 1 2 396.450 3.719 20 30 GHEDLO N#C[C@H]1C[N@H+](Cc2ccccc2Oc2cccnc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513976424 851069104 /nfs/dbraw/zinc/06/91/04/851069104.db2.gz WSXLPIGNQKNLJL-MHECFPHRSA-N 1 2 396.450 3.719 20 30 GHEDLO CC[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CC[C@H](C#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000425494015 851340590 /nfs/dbraw/zinc/34/05/90/851340590.db2.gz WORXMKCSZZNAOL-WPPQDWHVSA-N 1 2 378.879 3.606 20 30 GHEDLO CC[N@H+]1CC[C@@H](NC(=O)N[C@@H]2CC[C@H](C#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000425494015 851340601 /nfs/dbraw/zinc/34/06/01/851340601.db2.gz WORXMKCSZZNAOL-WPPQDWHVSA-N 1 2 378.879 3.606 20 30 GHEDLO CC[N@H+](Cc1cc(Br)ccc1F)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000488730353 851726697 /nfs/dbraw/zinc/72/66/97/851726697.db2.gz VETKYCIBTJGNOU-ACJLOTCBSA-N 1 2 398.320 3.853 20 30 GHEDLO CC[N@@H+](Cc1cc(Br)ccc1F)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000488730353 851726703 /nfs/dbraw/zinc/72/67/03/851726703.db2.gz VETKYCIBTJGNOU-ACJLOTCBSA-N 1 2 398.320 3.853 20 30 GHEDLO C[N@H+](Cc1ccc(N2CCC(C(=O)OC(C)(C)C)CC2)o1)CC(C)(C)C#N ZINC000894611146 851781031 /nfs/dbraw/zinc/78/10/31/851781031.db2.gz UGQLCBIYSMRHIP-UHFFFAOYSA-N 1 2 375.513 3.819 20 30 GHEDLO C[N@@H+](Cc1ccc(N2CCC(C(=O)OC(C)(C)C)CC2)o1)CC(C)(C)C#N ZINC000894611146 851781035 /nfs/dbraw/zinc/78/10/35/851781035.db2.gz UGQLCBIYSMRHIP-UHFFFAOYSA-N 1 2 375.513 3.819 20 30 GHEDLO C=CCn1cccc1C(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC000489043273 851961342 /nfs/dbraw/zinc/96/13/42/851961342.db2.gz QPZXIZRBZOOZMA-PGRDOPGGSA-N 1 2 380.536 3.750 20 30 GHEDLO C=CCn1cccc1C(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC000489043273 851961352 /nfs/dbraw/zinc/96/13/52/851961352.db2.gz QPZXIZRBZOOZMA-PGRDOPGGSA-N 1 2 380.536 3.750 20 30 GHEDLO CN(C(=O)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)C1CCCCC1 ZINC000329773018 862313963 /nfs/dbraw/zinc/31/39/63/862313963.db2.gz LEOSRVVCVAWBFC-IBGZPJMESA-N 1 2 375.488 3.538 20 30 GHEDLO CN(C(=O)CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)C1CCCCC1 ZINC000329773018 862313976 /nfs/dbraw/zinc/31/39/76/862313976.db2.gz LEOSRVVCVAWBFC-IBGZPJMESA-N 1 2 375.488 3.538 20 30 GHEDLO Cc1c(Cl)cccc1NC(=O)CNC(=O)C[N@@H+]1CCOCC2(CCC2)C1 ZINC000329776006 862314960 /nfs/dbraw/zinc/31/49/60/862314960.db2.gz JRSTUGIIMQXFHK-UHFFFAOYSA-N 1 2 379.888 3.695 20 30 GHEDLO Cc1c(Cl)cccc1NC(=O)CNC(=O)C[N@H+]1CCOCC2(CCC2)C1 ZINC000329776006 862314974 /nfs/dbraw/zinc/31/49/74/862314974.db2.gz JRSTUGIIMQXFHK-UHFFFAOYSA-N 1 2 379.888 3.695 20 30 GHEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000489433415 852333170 /nfs/dbraw/zinc/33/31/70/852333170.db2.gz HGNBEVCGNLCLGW-MRXNPFEDSA-N 1 2 397.441 3.521 20 30 GHEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000489433415 852333176 /nfs/dbraw/zinc/33/31/76/852333176.db2.gz HGNBEVCGNLCLGW-MRXNPFEDSA-N 1 2 397.441 3.521 20 30 GHEDLO CCCCCCCCC(=O)N1C[C@@H]2C[N@@H+](CCCC(F)(F)F)C[C@H](C1)O2 ZINC001270164414 852661351 /nfs/dbraw/zinc/66/13/51/852661351.db2.gz VJBKIMXHCYCSKZ-CALCHBBNSA-N 1 2 378.479 3.991 20 30 GHEDLO CCCCCCCCC(=O)N1C[C@@H]2C[N@H+](CCCC(F)(F)F)C[C@H](C1)O2 ZINC001270164414 852661357 /nfs/dbraw/zinc/66/13/57/852661357.db2.gz VJBKIMXHCYCSKZ-CALCHBBNSA-N 1 2 378.479 3.991 20 30 GHEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(Oc2ccccc2)c(F)c1 ZINC000437579563 853288514 /nfs/dbraw/zinc/28/85/14/853288514.db2.gz OBJVUBONRSQUPD-UHFFFAOYSA-N 1 2 383.467 3.666 20 30 GHEDLO N#Cc1cc(-c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)cnc1C(F)(F)F ZINC000519813172 853507722 /nfs/dbraw/zinc/50/77/22/853507722.db2.gz JFVBVUHDTKCXBG-UHFFFAOYSA-N 1 2 382.305 3.875 20 30 GHEDLO N#Cc1ccccc1Oc1ccc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)cc1Cl ZINC000587036170 853627397 /nfs/dbraw/zinc/62/73/97/853627397.db2.gz MCFYUHOEIRYESA-INIZCTEOSA-N 1 2 392.846 3.945 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3C[C@H]3c3ccc(Cl)cc3)CC2)cc1 ZINC000437947702 853714655 /nfs/dbraw/zinc/71/46/55/853714655.db2.gz PNOMZOAPWPQNJD-LEWJYISDSA-N 1 2 394.906 3.595 20 30 GHEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CCc3sccc3[C@H]2c2cccs2)c1 ZINC000520173227 853916494 /nfs/dbraw/zinc/91/64/94/853916494.db2.gz WUOCFPMFNDGUQB-NRFANRHFSA-N 1 2 393.537 3.945 20 30 GHEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CCc3sccc3[C@H]2c2cccs2)c1 ZINC000520173227 853916500 /nfs/dbraw/zinc/91/65/00/853916500.db2.gz WUOCFPMFNDGUQB-NRFANRHFSA-N 1 2 393.537 3.945 20 30 GHEDLO C=CCn1c(CC2CC2)nnc1N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000520292211 854044842 /nfs/dbraw/zinc/04/48/42/854044842.db2.gz SJURIQKVBXMSMQ-UHFFFAOYSA-N 1 2 380.540 3.555 20 30 GHEDLO N#Cc1ccc([C@@H]([NH2+]Cc2ccc(Oc3ccccc3F)c(F)c2)C(N)=O)cc1 ZINC000439627131 862526836 /nfs/dbraw/zinc/52/68/36/862526836.db2.gz UAHNCCDPSQUFMK-OAQYLSRUSA-N 1 2 393.393 3.945 20 30 GHEDLO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000126746514 854282835 /nfs/dbraw/zinc/28/28/35/854282835.db2.gz FGXBFPRYZQATRI-UHFFFAOYSA-N 1 2 389.459 3.566 20 30 GHEDLO CC(C)c1sc(NC(=O)C[NH+]2CCC(C(N)=O)CC2)nc1-c1ccccc1 ZINC000051200107 854456870 /nfs/dbraw/zinc/45/68/70/854456870.db2.gz XNLRHWPTYAIIIE-UHFFFAOYSA-N 1 2 386.521 3.719 20 30 GHEDLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CC[C@H](C2CCOCC2)C1 ZINC000328826683 854552706 /nfs/dbraw/zinc/55/27/06/854552706.db2.gz SGVUPHDBRUJJHR-SFHVURJKSA-N 1 2 392.503 3.896 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000328952639 854615141 /nfs/dbraw/zinc/61/51/41/854615141.db2.gz CZUSUAQBZOAMIS-AAEUAGOBSA-N 1 2 397.504 3.835 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000328952639 854615145 /nfs/dbraw/zinc/61/51/45/854615145.db2.gz CZUSUAQBZOAMIS-AAEUAGOBSA-N 1 2 397.504 3.835 20 30 GHEDLO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000328965800 854635942 /nfs/dbraw/zinc/63/59/42/854635942.db2.gz MOUYQLAAUPROPW-IPELMVKDSA-N 1 2 386.540 3.869 20 30 GHEDLO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C ZINC000328965800 854635945 /nfs/dbraw/zinc/63/59/45/854635945.db2.gz MOUYQLAAUPROPW-IPELMVKDSA-N 1 2 386.540 3.869 20 30 GHEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3C[C@@H](C)[S@@](=O)[C@@H](C)C3)sc2C1 ZINC000330133487 862602276 /nfs/dbraw/zinc/60/22/76/862602276.db2.gz RESDCMCOUFTOPR-UTANKCNHSA-N 1 2 393.578 3.564 20 30 GHEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3C[C@@H](C)[S@@](=O)[C@@H](C)C3)sc2C1 ZINC000330133487 862602288 /nfs/dbraw/zinc/60/22/88/862602288.db2.gz RESDCMCOUFTOPR-UTANKCNHSA-N 1 2 393.578 3.564 20 30 GHEDLO C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1)c1ccc(Cl)cc1Cl ZINC000330148323 862616371 /nfs/dbraw/zinc/61/63/71/862616371.db2.gz JHHOFCJGIMPAIG-VFVRVIDISA-N 1 2 387.307 3.891 20 30 GHEDLO C[C@@H](NC(=O)C[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1)c1ccc(Cl)cc1Cl ZINC000330148323 862616376 /nfs/dbraw/zinc/61/63/76/862616376.db2.gz JHHOFCJGIMPAIG-VFVRVIDISA-N 1 2 387.307 3.891 20 30 GHEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCC[C@H](COc3ccccc3Cl)C2)cc1 ZINC000157057694 854928781 /nfs/dbraw/zinc/92/87/81/854928781.db2.gz QFHYIWAQHGGDCF-JXFKEZNVSA-N 1 2 383.879 3.529 20 30 GHEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCC[C@H](COc3ccccc3Cl)C2)cc1 ZINC000157057694 854928787 /nfs/dbraw/zinc/92/87/87/854928787.db2.gz QFHYIWAQHGGDCF-JXFKEZNVSA-N 1 2 383.879 3.529 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CCSc4ccccc43)CC2)cc1 ZINC000045552364 854989871 /nfs/dbraw/zinc/98/98/71/854989871.db2.gz RJRICOSMZQKWRV-FQEVSTJZSA-N 1 2 392.528 3.623 20 30 GHEDLO CC(C)COC1CC[NH+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000054327159 855142608 /nfs/dbraw/zinc/14/26/08/855142608.db2.gz LHDFJFWZQUAFNG-AWEZNQCLSA-N 1 2 375.538 3.572 20 30 GHEDLO C=C(C)COc1cccc(NC(=O)N2CC[NH+](Cc3ccccc3OC)CC2)c1 ZINC000590325507 855361424 /nfs/dbraw/zinc/36/14/24/855361424.db2.gz KTUXPYIGOVGIBZ-UHFFFAOYSA-N 1 2 395.503 4.000 20 30 GHEDLO N#CC[C@@H]1CC[C@H](NC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000590831678 855601009 /nfs/dbraw/zinc/60/10/09/855601009.db2.gz VBKJSRYLVDYWLI-RLFYNMQTSA-N 1 2 392.906 3.998 20 30 GHEDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000330277243 862714962 /nfs/dbraw/zinc/71/49/62/862714962.db2.gz NZATZCPMOMRNNG-AQNXPRMDSA-N 1 2 380.492 3.979 20 30 GHEDLO N#Cc1cccc(Sc2nnc(C[NH+]3CCCC3)n2-c2ccc(Cl)cc2)n1 ZINC000301856381 855771057 /nfs/dbraw/zinc/77/10/57/855771057.db2.gz RJBQHUXEOLCOIK-UHFFFAOYSA-N 1 2 396.907 3.934 20 30 GHEDLO COc1cccc2c(N3CCN(c4c(C#N)cnc5ccccc54)CC3)cc[nH+]c12 ZINC000302389213 855860854 /nfs/dbraw/zinc/86/08/54/855860854.db2.gz BHNNKOUWENZUFI-UHFFFAOYSA-N 1 2 395.466 3.990 20 30 GHEDLO Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507821032 856432285 /nfs/dbraw/zinc/43/22/85/856432285.db2.gz CANMFKFXALAMNZ-MRXNPFEDSA-N 1 2 381.451 3.876 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000281016114 862804348 /nfs/dbraw/zinc/80/43/48/862804348.db2.gz OAYZNOKWVQWSKA-GOSISDBHSA-N 1 2 383.517 3.589 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000281016114 862804364 /nfs/dbraw/zinc/80/43/64/862804364.db2.gz OAYZNOKWVQWSKA-GOSISDBHSA-N 1 2 383.517 3.589 20 30 GHEDLO C=CCn1c(-c2cc3ccccc3o2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000508905847 856533389 /nfs/dbraw/zinc/53/33/89/856533389.db2.gz BJXJSVSKLHZBRO-UHFFFAOYSA-N 1 2 386.459 3.599 20 30 GHEDLO C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1)[N@@H+]1CCc2ccccc2C1 ZINC000760973615 856867475 /nfs/dbraw/zinc/86/74/75/856867475.db2.gz MFXAEHFOKDZKQP-HNAYVOBHSA-N 1 2 388.496 3.828 20 30 GHEDLO C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1)[N@H+]1CCc2ccccc2C1 ZINC000760973615 856867487 /nfs/dbraw/zinc/86/74/87/856867487.db2.gz MFXAEHFOKDZKQP-HNAYVOBHSA-N 1 2 388.496 3.828 20 30 GHEDLO C[C@@H](NC(=O)[C@@H](C)O[NH+]=C(N)c1ccc(F)cc1)c1ccc2c(c1)CCCC2 ZINC000733304190 862848310 /nfs/dbraw/zinc/84/83/10/862848310.db2.gz GMYXNLGXPPWZRB-HUUCEWRRSA-N 1 2 383.467 3.607 20 30 GHEDLO CC[C@@H](C#N)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000593406333 857549469 /nfs/dbraw/zinc/54/94/69/857549469.db2.gz ASKCFBMBGRLEQL-HNNXBMFYSA-N 1 2 398.488 3.517 20 30 GHEDLO N#Cc1cccc(OCCCCC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000521108270 857627883 /nfs/dbraw/zinc/62/78/83/857627883.db2.gz WTHYOQZHTMJSIK-UHFFFAOYSA-N 1 2 388.471 3.669 20 30 GHEDLO N#Cc1sc(NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)nc1Cl ZINC000888421051 858006687 /nfs/dbraw/zinc/00/66/87/858006687.db2.gz WNHMEWCENJPKIS-UHFFFAOYSA-N 1 2 390.900 3.612 20 30 GHEDLO C[C@H](NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000066953696 858372149 /nfs/dbraw/zinc/37/21/49/858372149.db2.gz HTDFTOIEWRYFBR-IRXDYDNUSA-N 1 2 394.475 3.581 20 30 GHEDLO Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000129852984 858459299 /nfs/dbraw/zinc/45/92/99/858459299.db2.gz WSSLDYDOESBUCR-OAHLLOKOSA-N 1 2 394.500 3.831 20 30 GHEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](CCSc2ccc(F)cc2F)CC1 ZINC000595359076 858517288 /nfs/dbraw/zinc/51/72/88/858517288.db2.gz ZJNALWTWEWNMKG-UHFFFAOYSA-N 1 2 390.459 3.616 20 30 GHEDLO Cc1sc(NC(=O)C[N@H+]2CCC=C(c3cn(C(C)C)nn3)CC2)c(C#N)c1C ZINC000595526530 858552556 /nfs/dbraw/zinc/55/25/56/858552556.db2.gz TZRAOSMJCWZTBD-UHFFFAOYSA-N 1 2 398.536 3.527 20 30 GHEDLO Cc1sc(NC(=O)C[N@@H+]2CCC=C(c3cn(C(C)C)nn3)CC2)c(C#N)c1C ZINC000595526530 858552562 /nfs/dbraw/zinc/55/25/62/858552562.db2.gz TZRAOSMJCWZTBD-UHFFFAOYSA-N 1 2 398.536 3.527 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)N2CC[C@@](C)(C#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000595571859 858555738 /nfs/dbraw/zinc/55/57/38/858555738.db2.gz AXEPGNRUHJEWJC-LNLFQRSKSA-N 1 2 378.879 3.560 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)N2CC[C@@](C)(C#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000595571859 858555740 /nfs/dbraw/zinc/55/57/40/858555740.db2.gz AXEPGNRUHJEWJC-LNLFQRSKSA-N 1 2 378.879 3.560 20 30 GHEDLO N#CCCN(C(=O)C[NH2+][C@H](CO)c1cccc(Cl)c1Cl)c1ccccc1 ZINC000595828884 858701766 /nfs/dbraw/zinc/70/17/66/858701766.db2.gz MGWDEVRVMLAZRX-QGZVFWFLSA-N 1 2 392.286 3.563 20 30 GHEDLO C[C@H]1C[N@H+](CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)[C@@H](C)CO1 ZINC000596710420 859025504 /nfs/dbraw/zinc/02/55/04/859025504.db2.gz LUBPIZYXDJKGRY-IRXDYDNUSA-N 1 2 394.475 3.581 20 30 GHEDLO C[C@H]1C[N@@H+](CCNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)[C@@H](C)CO1 ZINC000596710420 859025517 /nfs/dbraw/zinc/02/55/17/859025517.db2.gz LUBPIZYXDJKGRY-IRXDYDNUSA-N 1 2 394.475 3.581 20 30 GHEDLO Clc1cc(Br)ccc1N[NH+]=Cc1cnc(N2CCCC2)nc1 ZINC000750938440 859487984 /nfs/dbraw/zinc/48/79/84/859487984.db2.gz ZWIRLGCPGHWFFC-UHFFFAOYSA-N 1 2 380.677 3.939 20 30 GHEDLO CC1(C(=O)N2CCCC2)CC[NH+](Cc2ccc(Br)cc2C#N)CC1 ZINC001141814649 859611580 /nfs/dbraw/zinc/61/15/80/859611580.db2.gz LUILQTFORDIQIA-UHFFFAOYSA-N 1 2 390.325 3.545 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](CF)c1ccc(F)cc1 ZINC000601942858 859667564 /nfs/dbraw/zinc/66/75/64/859667564.db2.gz VTUJZIQVGPUCEC-MAUKXSAKSA-N 1 2 387.430 3.770 20 30 GHEDLO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000611346800 859721526 /nfs/dbraw/zinc/72/15/26/859721526.db2.gz KMWYECBYYJPUES-IEBWSBKVSA-N 1 2 393.535 3.569 20 30 GHEDLO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000611346800 859721531 /nfs/dbraw/zinc/72/15/31/859721531.db2.gz KMWYECBYYJPUES-IEBWSBKVSA-N 1 2 393.535 3.569 20 30 GHEDLO COC[C@@H]([NH2+]Cc1cccc(C(=O)OC)c1C#N)c1cccc(C(F)(F)F)c1 ZINC000611396727 859736954 /nfs/dbraw/zinc/73/69/54/859736954.db2.gz HJZWMUYRHHKINF-GOSISDBHSA-N 1 2 392.377 3.841 20 30 GHEDLO C[C@H](c1ccncc1)[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000611530649 859801818 /nfs/dbraw/zinc/80/18/18/859801818.db2.gz HJQVXFHNRGRRSY-BEFAXECRSA-N 1 2 385.309 3.788 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCN(c3ccccc3C)CC2)c1 ZINC000025411550 859970596 /nfs/dbraw/zinc/97/05/96/859970596.db2.gz HLPFFWAFUCMXNI-UHFFFAOYSA-N 1 2 390.531 3.681 20 30 GHEDLO CC(C)C1CCC2(CC1)NC(=O)N(C[N@H+](Cc1ccc(C#N)cc1)C(C)C)C2=O ZINC000727822010 860292132 /nfs/dbraw/zinc/29/21/32/860292132.db2.gz CHWOVWNJLXFOCP-UHFFFAOYSA-N 1 2 396.535 3.863 20 30 GHEDLO CC(C)C1CCC2(CC1)NC(=O)N(C[N@@H+](Cc1ccc(C#N)cc1)C(C)C)C2=O ZINC000727822010 860292138 /nfs/dbraw/zinc/29/21/38/860292138.db2.gz CHWOVWNJLXFOCP-UHFFFAOYSA-N 1 2 396.535 3.863 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000602855965 860316149 /nfs/dbraw/zinc/31/61/49/860316149.db2.gz QTJRKNXZHSKASK-GOEBONIOSA-N 1 2 380.517 3.710 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000602855965 860316151 /nfs/dbraw/zinc/31/61/51/860316151.db2.gz QTJRKNXZHSKASK-GOEBONIOSA-N 1 2 380.517 3.710 20 30 GHEDLO N#Cc1ccc(C2CC[NH+](Cc3nc4cc(Cl)ccc4c(=O)[nH]3)CC2)nc1 ZINC000602908675 860341860 /nfs/dbraw/zinc/34/18/60/860341860.db2.gz GTPCBZWPZALMAU-UHFFFAOYSA-N 1 2 379.851 3.635 20 30 GHEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c(C#N)c1C ZINC000155349809 860486295 /nfs/dbraw/zinc/48/62/95/860486295.db2.gz LDWDURCEQLHZQJ-OAHLLOKOSA-N 1 2 398.532 3.922 20 30 GHEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c(C#N)c1C ZINC000155349809 860486298 /nfs/dbraw/zinc/48/62/98/860486298.db2.gz LDWDURCEQLHZQJ-OAHLLOKOSA-N 1 2 398.532 3.922 20 30 GHEDLO Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000054224559 860503040 /nfs/dbraw/zinc/50/30/40/860503040.db2.gz VHIOZQDYIYVCQB-UHFFFAOYSA-N 1 2 375.363 3.828 20 30 GHEDLO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@@H+]3CC[C@](C)(O)C3)sc2C1 ZINC000484973903 860546882 /nfs/dbraw/zinc/54/68/82/860546882.db2.gz GJVXIQOFYVKLBP-SZNDQCEHSA-N 1 2 389.565 3.556 20 30 GHEDLO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@H+]3CC[C@](C)(O)C3)sc2C1 ZINC000484973903 860546888 /nfs/dbraw/zinc/54/68/88/860546888.db2.gz GJVXIQOFYVKLBP-SZNDQCEHSA-N 1 2 389.565 3.556 20 30 GHEDLO C=CCC(C)(C)c1noc([C@H]([NH3+])c2ccccc2I)n1 ZINC000904725521 860568239 /nfs/dbraw/zinc/56/82/39/860568239.db2.gz ZBOPKSWCPFHBCX-GFCCVEGCSA-N 1 2 383.233 3.576 20 30 GHEDLO Cc1ccc(NC(=O)C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)c(F)c1 ZINC000329106057 861022708 /nfs/dbraw/zinc/02/27/08/861022708.db2.gz HHFSXVQMOBXDDV-QGZVFWFLSA-N 1 2 387.499 3.837 20 30 GHEDLO COCc1ccccc1/C=C(\C)C[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000509098701 861035168 /nfs/dbraw/zinc/03/51/68/861035168.db2.gz VCXHVXYWBDKGCO-FJJSRGKOSA-N 1 2 387.483 3.582 20 30 GHEDLO COCc1ccccc1/C=C(\C)C[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000509098701 861035184 /nfs/dbraw/zinc/03/51/84/861035184.db2.gz VCXHVXYWBDKGCO-FJJSRGKOSA-N 1 2 387.483 3.582 20 30 GHEDLO O=c1[nH]ncc(N[NH+]=Cc2ccc(N3CCC(c4ccccc4)=N3)cc2)c1Cl ZINC000730567874 861175114 /nfs/dbraw/zinc/17/51/14/861175114.db2.gz BXUOTURVGGBJOW-UHFFFAOYSA-N 1 2 392.850 3.896 20 30 GHEDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000593931426 863404562 /nfs/dbraw/zinc/40/45/62/863404562.db2.gz DTZBRLYRZLMXDZ-INIZCTEOSA-N 1 2 383.517 3.599 20 30 GHEDLO CC(C)COC[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccco1 ZINC000184165656 864155109 /nfs/dbraw/zinc/15/51/09/864155109.db2.gz LIUMNVLTMWKXIW-VQTJNVASSA-N 1 2 381.476 3.650 20 30 GHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 ZINC000734444847 864234922 /nfs/dbraw/zinc/23/49/22/864234922.db2.gz UCTLMAONLSENHX-IBGZPJMESA-N 1 2 381.863 3.628 20 30 GHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 ZINC000734444847 864234928 /nfs/dbraw/zinc/23/49/28/864234928.db2.gz UCTLMAONLSENHX-IBGZPJMESA-N 1 2 381.863 3.628 20 30 GHEDLO C=CC[N@@H+](CC(=O)N[C@@H](C)Cc1c(F)cccc1F)Cc1cccc(C#N)c1 ZINC000063299981 864501438 /nfs/dbraw/zinc/50/14/38/864501438.db2.gz JAOMWZBKEPTSQH-INIZCTEOSA-N 1 2 383.442 3.572 20 30 GHEDLO C=CC[N@H+](CC(=O)N[C@@H](C)Cc1c(F)cccc1F)Cc1cccc(C#N)c1 ZINC000063299981 864501452 /nfs/dbraw/zinc/50/14/52/864501452.db2.gz JAOMWZBKEPTSQH-INIZCTEOSA-N 1 2 383.442 3.572 20 30 GHEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000554541637 864528208 /nfs/dbraw/zinc/52/82/08/864528208.db2.gz IIPFWWPJRCASMT-PMACEKPBSA-N 1 2 386.459 3.630 20 30 GHEDLO COc1ccc(C[NH+]2CCN(c3cc(C#N)c4ccccc4n3)CC2)cc1F ZINC000554804742 864913916 /nfs/dbraw/zinc/91/39/16/864913916.db2.gz CHKFGUFMVKRZQP-UHFFFAOYSA-N 1 2 376.435 3.576 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(Cc3nnc(-c4cccc(Cl)c4)o3)CC2)cc1 ZINC000609311847 881818167 /nfs/dbraw/zinc/81/81/67/881818167.db2.gz ULRPTJVQXMDVAA-UHFFFAOYSA-N 1 2 393.878 3.579 20 30 GHEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000594288324 865714616 /nfs/dbraw/zinc/71/46/16/865714616.db2.gz UCLBGQPIQHOSSV-LPHOPBHVSA-N 1 2 397.469 3.796 20 30 GHEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000594288324 865714619 /nfs/dbraw/zinc/71/46/19/865714619.db2.gz UCLBGQPIQHOSSV-LPHOPBHVSA-N 1 2 397.469 3.796 20 30 GHEDLO COc1cccc(NC(=S)NN=C2CCN(c3ccc([NH+](C)C)cc3)CC2)c1 ZINC000741457439 866527501 /nfs/dbraw/zinc/52/75/01/866527501.db2.gz LYIBGMCLYUULAW-UHFFFAOYSA-N 1 2 397.548 3.704 20 30 GHEDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCc3ccc(C#N)c(F)c3)c2C1 ZINC000456831585 867222272 /nfs/dbraw/zinc/22/22/72/867222272.db2.gz HAKGKMZXDGNMLL-UHFFFAOYSA-N 1 2 388.446 3.554 20 30 GHEDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCc3ccc(C#N)c(F)c3)c2C1 ZINC000456831585 867222291 /nfs/dbraw/zinc/22/22/91/867222291.db2.gz HAKGKMZXDGNMLL-UHFFFAOYSA-N 1 2 388.446 3.554 20 30 GHEDLO C#CCOc1cc(F)ccc1NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000743197592 867945824 /nfs/dbraw/zinc/94/58/24/867945824.db2.gz CAXRBAQCBWLNDS-LJQANCHMSA-N 1 2 392.434 3.677 20 30 GHEDLO C=CCn1c(-c2ccccc2F)nn(C[N@@H+]2CCC3(C2)CCOCC3)c1=S ZINC000743405508 868183402 /nfs/dbraw/zinc/18/34/02/868183402.db2.gz MWVODHONCQAAKZ-UHFFFAOYSA-N 1 2 388.512 3.866 20 30 GHEDLO C=CCn1c(-c2ccccc2F)nn(C[N@H+]2CCC3(C2)CCOCC3)c1=S ZINC000743405508 868183411 /nfs/dbraw/zinc/18/34/11/868183411.db2.gz MWVODHONCQAAKZ-UHFFFAOYSA-N 1 2 388.512 3.866 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+]([C@@H]3CCN(c4ccccc4Cl)C3=O)CC2)cc1 ZINC000554023711 868605457 /nfs/dbraw/zinc/60/54/57/868605457.db2.gz XCVFOWJDXCULCW-OAQYLSRUSA-N 1 2 395.890 3.860 20 30 GHEDLO Cc1csc(C(C)(C)[NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)n1 ZINC000744403767 868810543 /nfs/dbraw/zinc/81/05/43/868810543.db2.gz ZADPSWHHLNAMSE-CQSZACIVSA-N 1 2 377.473 3.514 20 30 GHEDLO Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)c1C ZINC000524309076 868881567 /nfs/dbraw/zinc/88/15/67/868881567.db2.gz KIVPOJIWCBPREN-UHFFFAOYSA-N 1 2 399.535 3.604 20 30 GHEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@H]1CCOc2ccc(Br)cc21 ZINC000445888622 869115850 /nfs/dbraw/zinc/11/58/50/869115850.db2.gz VZAGZIATPOFACP-INIZCTEOSA-N 1 2 381.314 3.629 20 30 GHEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@H]1CCOc2ccc(Br)cc21 ZINC000445888622 869115855 /nfs/dbraw/zinc/11/58/55/869115855.db2.gz VZAGZIATPOFACP-INIZCTEOSA-N 1 2 381.314 3.629 20 30 GHEDLO CCc1ccc([C@H](COC)[NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)o1 ZINC000544449594 870558185 /nfs/dbraw/zinc/55/81/85/870558185.db2.gz NBFLTFQADDNHGS-SFHVURJKSA-N 1 2 389.883 3.719 20 30 GHEDLO CC(C)(C)n1ncc2c1nc[nH+]c2NC1CCN(c2ccccc2C#N)CC1 ZINC000766422996 870730399 /nfs/dbraw/zinc/73/03/99/870730399.db2.gz ULYYXPRSHORDJC-UHFFFAOYSA-N 1 2 375.480 3.534 20 30 GHEDLO Cc1ccc(C#N)cc1S(=O)(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000446966882 870783927 /nfs/dbraw/zinc/78/39/27/870783927.db2.gz PUJCYJDHBWGVJK-UHFFFAOYSA-N 1 2 392.484 3.867 20 30 GHEDLO Cc1nc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)c(Cl)cc1C#N ZINC000461936870 871314118 /nfs/dbraw/zinc/31/41/18/871314118.db2.gz OMFFUDHTFPULNP-UHFFFAOYSA-N 1 2 377.879 3.917 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)[C@H]1c1ccc(F)c(F)c1 ZINC000618826232 872030685 /nfs/dbraw/zinc/03/06/85/872030685.db2.gz YBYSNEDWAWLIGS-QHAWAJNXSA-N 1 2 396.441 3.568 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)[C@H]1c1ccc(F)c(F)c1 ZINC000618826232 872030695 /nfs/dbraw/zinc/03/06/95/872030695.db2.gz YBYSNEDWAWLIGS-QHAWAJNXSA-N 1 2 396.441 3.568 20 30 GHEDLO N#CCc1ccc(Oc2ccc(C(=O)OCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)cc2)cc1 ZINC000767550665 872635278 /nfs/dbraw/zinc/63/52/78/872635278.db2.gz UMBSKKQXPXRNCD-SZPZYZBQSA-N 1 2 392.455 3.565 20 30 GHEDLO N#CCc1ccc(Oc2ccc(C(=O)OCC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)cc2)cc1 ZINC000767550665 872635286 /nfs/dbraw/zinc/63/52/86/872635286.db2.gz UMBSKKQXPXRNCD-SZPZYZBQSA-N 1 2 392.455 3.565 20 30 GHEDLO COc1cccc2c1CC[N@H+](CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)C2 ZINC000541086906 872891556 /nfs/dbraw/zinc/89/15/56/872891556.db2.gz RXQHHTHNUPZBCB-UHFFFAOYSA-N 1 2 397.906 3.962 20 30 GHEDLO COc1cccc2c1CC[N@@H+](CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)C2 ZINC000541086906 872891570 /nfs/dbraw/zinc/89/15/70/872891570.db2.gz RXQHHTHNUPZBCB-UHFFFAOYSA-N 1 2 397.906 3.962 20 30 GHEDLO CO[C@H](C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1)c1ccc(Cl)cc1 ZINC000619779996 872994230 /nfs/dbraw/zinc/99/42/30/872994230.db2.gz MSMZEWNQKMCBJX-GOSISDBHSA-N 1 2 386.883 3.587 20 30 GHEDLO N#CC1(NC(=O)C[N@@H+](Cc2ccccc2Br)C2CCCC2)CCC1 ZINC000527377896 873116623 /nfs/dbraw/zinc/11/66/23/873116623.db2.gz BZITYEZOSBLLCV-UHFFFAOYSA-N 1 2 390.325 3.756 20 30 GHEDLO N#CC1(NC(=O)C[N@H+](Cc2ccccc2Br)C2CCCC2)CCC1 ZINC000527377896 873116631 /nfs/dbraw/zinc/11/66/31/873116631.db2.gz BZITYEZOSBLLCV-UHFFFAOYSA-N 1 2 390.325 3.756 20 30 GHEDLO C[N@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccccc1OCc1ccccc1 ZINC001196886490 873428332 /nfs/dbraw/zinc/42/83/32/873428332.db2.gz BNDKNOSEZFFJPA-UHFFFAOYSA-N 1 2 399.494 3.885 20 30 GHEDLO C[N@@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccccc1OCc1ccccc1 ZINC001196886490 873428340 /nfs/dbraw/zinc/42/83/40/873428340.db2.gz BNDKNOSEZFFJPA-UHFFFAOYSA-N 1 2 399.494 3.885 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(OC)c(OCC(=C)C)c2)c1 ZINC000768916158 873685042 /nfs/dbraw/zinc/68/50/42/873685042.db2.gz UWIPCZINMRHLAD-UHFFFAOYSA-N 1 2 378.472 3.702 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(OC)c(OCC(=C)C)c2)c1 ZINC000768916158 873685050 /nfs/dbraw/zinc/68/50/50/873685050.db2.gz UWIPCZINMRHLAD-UHFFFAOYSA-N 1 2 378.472 3.702 20 30 GHEDLO C#C[C@H]([NH2+]Cc1csc(-c2ccc(Br)cc2)n1)[C@H]1CCCO1 ZINC000775796378 874109826 /nfs/dbraw/zinc/10/98/26/874109826.db2.gz XNUFFUXRTOVLII-JKSUJKDBSA-N 1 2 377.307 3.843 20 30 GHEDLO CC(C)c1cnc(CO[NH+]=C(N)c2ccc(CNC(=O)OC(C)(C)C)cc2)o1 ZINC000769842714 874320684 /nfs/dbraw/zinc/32/06/84/874320684.db2.gz QKRKFACSRMGENG-UHFFFAOYSA-N 1 2 388.468 3.660 20 30 GHEDLO C#C[C@H](NC(=O)Cc1c[nH+]cn1Cc1ccccc1)c1ccc(Cl)cc1F ZINC000804421833 882831204 /nfs/dbraw/zinc/83/12/04/882831204.db2.gz UNPXBLPQPDVTGQ-FQEVSTJZSA-N 1 2 381.838 3.757 20 30 GHEDLO COc1ccc(OCC[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c([N+](=O)[O-])c1 ZINC000464810564 874534048 /nfs/dbraw/zinc/53/40/48/874534048.db2.gz FSBYWWZKYAJOMB-OALUTQOASA-N 1 2 381.432 3.754 20 30 GHEDLO COc1ccc(OCC[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c([N+](=O)[O-])c1 ZINC000464810564 874534055 /nfs/dbraw/zinc/53/40/55/874534055.db2.gz FSBYWWZKYAJOMB-OALUTQOASA-N 1 2 381.432 3.754 20 30 GHEDLO Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000770385969 874607978 /nfs/dbraw/zinc/60/79/78/874607978.db2.gz RWPUTICDWHGJAQ-XMMPIXPASA-N 1 2 386.499 3.993 20 30 GHEDLO Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000770385969 874607984 /nfs/dbraw/zinc/60/79/84/874607984.db2.gz RWPUTICDWHGJAQ-XMMPIXPASA-N 1 2 386.499 3.993 20 30 GHEDLO CCCCOC1CC[NH+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000464862985 874663862 /nfs/dbraw/zinc/66/38/62/874663862.db2.gz YULLAFQKVNWXLG-AWEZNQCLSA-N 1 2 375.538 3.717 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC#N)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542092321 874933487 /nfs/dbraw/zinc/93/34/87/874933487.db2.gz CNQAPYFSDPKIKN-ICSRJNTNSA-N 1 2 387.405 3.735 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)c2ccc(CC#N)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000542092321 874933495 /nfs/dbraw/zinc/93/34/95/874933495.db2.gz CNQAPYFSDPKIKN-ICSRJNTNSA-N 1 2 387.405 3.735 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CC3CCC(C(F)(F)F)CC3)CC2)cc1 ZINC000542161073 875061146 /nfs/dbraw/zinc/06/11/46/875061146.db2.gz XBVNOERNAWNWNR-UHFFFAOYSA-N 1 2 393.453 3.961 20 30 GHEDLO C=CCn1c(=S)n(C[N@@H+]2CCC[C@@H]2Cc2ccccc2)nc1-c1cnccn1 ZINC000151736823 875878162 /nfs/dbraw/zinc/87/81/62/875878162.db2.gz NPEQEYJJQNJIAU-GOSISDBHSA-N 1 2 392.532 3.722 20 30 GHEDLO C=CCn1c(=S)n(C[N@H+]2CCC[C@@H]2Cc2ccccc2)nc1-c1cnccn1 ZINC000151736823 875878164 /nfs/dbraw/zinc/87/81/64/875878164.db2.gz NPEQEYJJQNJIAU-GOSISDBHSA-N 1 2 392.532 3.722 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(c3ncc(Br)cc3Cl)CC2)cc1 ZINC000492067433 876162512 /nfs/dbraw/zinc/16/25/12/876162512.db2.gz XOYZHHJZGSRZQD-UHFFFAOYSA-N 1 2 391.700 3.691 20 30 GHEDLO COc1cc(C[N@H+](C)[C@H](C)C(=O)Nc2ccccc2C#N)c(SC)cc1OC ZINC000265933034 876426203 /nfs/dbraw/zinc/42/62/03/876426203.db2.gz DQJDUXXQYOYIEN-CQSZACIVSA-N 1 2 399.516 3.756 20 30 GHEDLO COc1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2C#N)c(SC)cc1OC ZINC000265933034 876426211 /nfs/dbraw/zinc/42/62/11/876426211.db2.gz DQJDUXXQYOYIEN-CQSZACIVSA-N 1 2 399.516 3.756 20 30 GHEDLO C=C[C@](C)(CC)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787533508 877458521 /nfs/dbraw/zinc/45/85/21/877458521.db2.gz NSHQODVWVFQNNB-GOSISDBHSA-N 1 2 380.330 3.742 20 30 GHEDLO N#Cc1ccc(CSCC(=O)OCC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000851397619 877658874 /nfs/dbraw/zinc/65/88/74/877658874.db2.gz JQEZYXYZNMOCAW-UHFFFAOYSA-N 1 2 381.501 3.646 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](Cc3nc(-c4ccsc4)no3)CC2)c(F)c1 ZINC000285398752 912275346 /nfs/dbraw/zinc/27/53/46/912275346.db2.gz DUGCAKJZGXLTJO-UHFFFAOYSA-N 1 2 384.436 3.852 20 30 GHEDLO N#Cc1ccc(CCC(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)cc1 ZINC000788248784 877951153 /nfs/dbraw/zinc/95/11/53/877951153.db2.gz XKPJXDPXQUQQHN-LJQANCHMSA-N 1 2 376.504 3.935 20 30 GHEDLO N#Cc1ccc(CCC(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)cc1 ZINC000788248784 877951172 /nfs/dbraw/zinc/95/11/72/877951172.db2.gz XKPJXDPXQUQQHN-LJQANCHMSA-N 1 2 376.504 3.935 20 30 GHEDLO Cc1nn(C)c(N2CC[NH+](Cc3ccc(SC(F)(F)F)cc3)CC2)c1C#N ZINC000788271133 877986831 /nfs/dbraw/zinc/98/68/31/877986831.db2.gz YPVZIGKQBNIZPL-UHFFFAOYSA-N 1 2 395.454 3.534 20 30 GHEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000852325612 878239482 /nfs/dbraw/zinc/23/94/82/878239482.db2.gz IOOIDXIRZAMDHA-FQEVSTJZSA-N 1 2 379.489 3.683 20 30 GHEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000852325612 878239495 /nfs/dbraw/zinc/23/94/95/878239495.db2.gz IOOIDXIRZAMDHA-FQEVSTJZSA-N 1 2 379.489 3.683 20 30 GHEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000852328677 878245920 /nfs/dbraw/zinc/24/59/20/878245920.db2.gz KKLFIKWOCAVLGL-NRFANRHFSA-N 1 2 393.878 3.885 20 30 GHEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000852328677 878245936 /nfs/dbraw/zinc/24/59/36/878245936.db2.gz KKLFIKWOCAVLGL-NRFANRHFSA-N 1 2 393.878 3.885 20 30 GHEDLO N#Cc1cc(F)ccc1N1CCC[C@@H](OC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000789474740 878963050 /nfs/dbraw/zinc/96/30/50/878963050.db2.gz UGVQRYCETRJWOB-HXUWFJFHSA-N 1 2 390.418 3.709 20 30 GHEDLO Cc1cc(NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)cc(C#N)c1[N+](=O)[O-] ZINC000853383789 878996036 /nfs/dbraw/zinc/99/60/36/878996036.db2.gz FNEJFCSCFFEBJI-UHFFFAOYSA-N 1 2 379.464 3.922 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+](C)C[C@@H]2CCc3ccccc32)c1=S ZINC000853609684 879163624 /nfs/dbraw/zinc/16/36/24/879163624.db2.gz KPPNODSCANBNAC-KRWDZBQOSA-N 1 2 392.532 3.676 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+](C)C[C@@H]2CCc3ccccc32)c1=S ZINC000853609684 879163633 /nfs/dbraw/zinc/16/36/33/879163633.db2.gz KPPNODSCANBNAC-KRWDZBQOSA-N 1 2 392.532 3.676 20 30 GHEDLO N#CCSc1ccccc1C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000790156667 879497275 /nfs/dbraw/zinc/49/72/75/879497275.db2.gz GZQSOALYMBSQNA-UHFFFAOYSA-N 1 2 380.517 3.855 20 30 GHEDLO COc1ccc(C[N@H+](C)Cc2cc(C#N)ccc2Br)cc1OC ZINC000617194779 879499605 /nfs/dbraw/zinc/49/96/05/879499605.db2.gz LYKIRMTYUCBBMU-UHFFFAOYSA-N 1 2 375.266 3.970 20 30 GHEDLO COc1ccc(C[N@@H+](C)Cc2cc(C#N)ccc2Br)cc1OC ZINC000617194779 879499614 /nfs/dbraw/zinc/49/96/14/879499614.db2.gz LYKIRMTYUCBBMU-UHFFFAOYSA-N 1 2 375.266 3.970 20 30 GHEDLO CC[C@@H](C)N1CC[C@@]2(CCC[N@@H+]2Cc2cc(C#N)ccc2Br)C1=O ZINC001275192474 912573892 /nfs/dbraw/zinc/57/38/92/912573892.db2.gz QGCBDMKCWZFSGZ-KUHUBIRLSA-N 1 2 390.325 3.686 20 30 GHEDLO CC[C@@H](C)N1CC[C@@]2(CCC[N@H+]2Cc2cc(C#N)ccc2Br)C1=O ZINC001275192474 912573895 /nfs/dbraw/zinc/57/38/95/912573895.db2.gz QGCBDMKCWZFSGZ-KUHUBIRLSA-N 1 2 390.325 3.686 20 30 GHEDLO COCCOc1cc2c(cc1C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1)OCO2 ZINC000537625387 881217907 /nfs/dbraw/zinc/21/79/07/881217907.db2.gz DBZWBRMQCABEOT-UXHICEINSA-N 1 2 394.471 3.712 20 30 GHEDLO COCCOc1cc2c(cc1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1)OCO2 ZINC000537625387 881217923 /nfs/dbraw/zinc/21/79/23/881217923.db2.gz DBZWBRMQCABEOT-UXHICEINSA-N 1 2 394.471 3.712 20 30 GHEDLO C=CC(N[C@@H](CC(C)C)C(=O)Nc1cc2ccccc2c(OC)c1)=[NH+]COC ZINC001170265488 881279005 /nfs/dbraw/zinc/27/90/05/881279005.db2.gz GEZLIDZYRDRCII-IBGZPJMESA-N 1 2 383.492 3.980 20 30 GHEDLO N#C[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccccc1Br ZINC000609592155 883396175 /nfs/dbraw/zinc/39/61/75/883396175.db2.gz CGEDLRKIBPTKNM-SFHVURJKSA-N 1 2 395.260 3.689 20 30 GHEDLO N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CC(n3cc[nH+]c3)C2)c1 ZINC000609731585 883583450 /nfs/dbraw/zinc/58/34/50/883583450.db2.gz CIQCANXMPIUFDO-UHFFFAOYSA-N 1 2 378.819 3.898 20 30 GHEDLO CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000609893033 883803458 /nfs/dbraw/zinc/80/34/58/883803458.db2.gz YHGPPMYCQSYUPX-GOSISDBHSA-N 1 2 385.309 3.989 20 30 GHEDLO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000805773200 884052396 /nfs/dbraw/zinc/05/23/96/884052396.db2.gz OKFKBWZMIYDHJN-INIZCTEOSA-N 1 2 381.423 3.650 20 30 GHEDLO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000805773200 884052414 /nfs/dbraw/zinc/05/24/14/884052414.db2.gz OKFKBWZMIYDHJN-INIZCTEOSA-N 1 2 381.423 3.650 20 30 GHEDLO C[C@H](C[N@H+](C)Cc1ccc(C#N)cc1Br)NC(=O)OC(C)(C)C ZINC000860096426 884322086 /nfs/dbraw/zinc/32/20/86/884322086.db2.gz LKDPKSMVMULVLZ-GFCCVEGCSA-N 1 2 382.302 3.666 20 30 GHEDLO C[C@H](C[N@@H+](C)Cc1ccc(C#N)cc1Br)NC(=O)OC(C)(C)C ZINC000860096426 884322104 /nfs/dbraw/zinc/32/21/04/884322104.db2.gz LKDPKSMVMULVLZ-GFCCVEGCSA-N 1 2 382.302 3.666 20 30 GHEDLO N#Cc1cc(Cl)ccc1COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000780040509 912831244 /nfs/dbraw/zinc/83/12/44/912831244.db2.gz ZVJVLFUGELFMLQ-UHFFFAOYSA-N 1 2 382.763 3.663 20 30 GHEDLO C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)CCC1(F)F ZINC001183828457 912834547 /nfs/dbraw/zinc/83/45/47/912834547.db2.gz HNRDFPNZMJYMCB-QFBILLFUSA-N 1 2 375.463 3.807 20 30 GHEDLO C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2C#N)CCC1(F)F ZINC001183828457 912834558 /nfs/dbraw/zinc/83/45/58/912834558.db2.gz HNRDFPNZMJYMCB-QFBILLFUSA-N 1 2 375.463 3.807 20 30 GHEDLO N#Cc1ccccc1CN1CCCC[C@@H]1C(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001183835872 912839336 /nfs/dbraw/zinc/83/93/36/912839336.db2.gz OLSATHJKLFNBIQ-HSZRJFAPSA-N 1 2 399.498 3.796 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+](CC)CCc2ccccc2)c1=S ZINC000153326665 884629271 /nfs/dbraw/zinc/62/92/71/884629271.db2.gz AWFJYSDAZYSPEA-UHFFFAOYSA-N 1 2 380.521 3.579 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+](CC)CCc2ccccc2)c1=S ZINC000153326665 884629286 /nfs/dbraw/zinc/62/92/86/884629286.db2.gz AWFJYSDAZYSPEA-UHFFFAOYSA-N 1 2 380.521 3.579 20 30 GHEDLO C#CCOc1ccccc1-c1noc(C2CC[NH+](Cc3csc(C)n3)CC2)n1 ZINC000761989320 885138079 /nfs/dbraw/zinc/13/80/79/885138079.db2.gz HWSGMRRBNAFFQF-UHFFFAOYSA-N 1 2 394.500 3.893 20 30 GHEDLO N#Cc1cccc(OC2CC[NH+](CC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)c1 ZINC000104715785 885574069 /nfs/dbraw/zinc/57/40/69/885574069.db2.gz BEULRHRBFAHXAE-UHFFFAOYSA-N 1 2 394.862 3.565 20 30 GHEDLO CCCCCCCCCc1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)nc2)no1 ZINC000762235276 885810281 /nfs/dbraw/zinc/81/02/81/885810281.db2.gz RETNXDAOBRSCOA-UHFFFAOYSA-N 1 2 399.539 3.812 20 30 GHEDLO CCc1ccc([C@@H](COC)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)o1 ZINC000542557905 885818742 /nfs/dbraw/zinc/81/87/42/885818742.db2.gz XXLWPRSUXDRKFK-DNVCBOLYSA-N 1 2 387.455 3.594 20 30 GHEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000807949506 885888876 /nfs/dbraw/zinc/88/88/76/885888876.db2.gz ZQTIEQPZHMDPJN-CRAIPNDOSA-N 1 2 392.503 3.770 20 30 GHEDLO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000807949506 885888892 /nfs/dbraw/zinc/88/88/92/885888892.db2.gz ZQTIEQPZHMDPJN-CRAIPNDOSA-N 1 2 392.503 3.770 20 30 GHEDLO CCCCCCCNC(=O)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000861921774 885994248 /nfs/dbraw/zinc/99/42/48/885994248.db2.gz KVROQHKWXNCLEZ-UHFFFAOYSA-N 1 2 382.508 3.912 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000194967232 886007477 /nfs/dbraw/zinc/00/74/77/886007477.db2.gz LVDXPSWQTJQBGZ-UHFFFAOYSA-N 1 2 399.498 3.964 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000194967232 886007496 /nfs/dbraw/zinc/00/74/96/886007496.db2.gz LVDXPSWQTJQBGZ-UHFFFAOYSA-N 1 2 399.498 3.964 20 30 GHEDLO CCC(CC)C[N@H+](CCC#N)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000532589532 886196744 /nfs/dbraw/zinc/19/67/44/886196744.db2.gz JRHSAMUMDWRXAF-UHFFFAOYSA-N 1 2 391.313 3.609 20 30 GHEDLO CCC(CC)C[N@@H+](CCC#N)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000532589532 886196748 /nfs/dbraw/zinc/19/67/48/886196748.db2.gz JRHSAMUMDWRXAF-UHFFFAOYSA-N 1 2 391.313 3.609 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](Cc3c(Cl)cccc3N3CCCC3)CC2)cn1 ZINC000862422085 886364390 /nfs/dbraw/zinc/36/43/90/886364390.db2.gz QKBRHCRKJUWFKS-UHFFFAOYSA-N 1 2 381.911 3.529 20 30 GHEDLO N#Cc1ccc(-c2nnc(C[N@@H+](Cc3cccs3)C[C@@H]3CCCO3)o2)cc1 ZINC000173501933 886891191 /nfs/dbraw/zinc/89/11/91/886891191.db2.gz USXZMVMRCYEELQ-KRWDZBQOSA-N 1 2 380.473 3.851 20 30 GHEDLO N#Cc1ccc(-c2nnc(C[N@H+](Cc3cccs3)C[C@@H]3CCCO3)o2)cc1 ZINC000173501933 886891204 /nfs/dbraw/zinc/89/12/04/886891204.db2.gz USXZMVMRCYEELQ-KRWDZBQOSA-N 1 2 380.473 3.851 20 30 GHEDLO C=CCCC[N@@H+](C)Cn1nc(-c2cc(OC)c(OC)c(OC)c2)oc1=S ZINC000119744290 887485453 /nfs/dbraw/zinc/48/54/53/887485453.db2.gz IIRHSUWCNFUMBS-UHFFFAOYSA-N 1 2 379.482 3.754 20 30 GHEDLO C=CCCC[N@H+](C)Cn1nc(-c2cc(OC)c(OC)c(OC)c2)oc1=S ZINC000119744290 887485461 /nfs/dbraw/zinc/48/54/61/887485461.db2.gz IIRHSUWCNFUMBS-UHFFFAOYSA-N 1 2 379.482 3.754 20 30 GHEDLO N#CCc1ccc(OCc2ccccc2NC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000131318611 887534418 /nfs/dbraw/zinc/53/44/18/887534418.db2.gz NBTUAMJNHDHFND-SFHVURJKSA-N 1 2 386.455 3.729 20 30 GHEDLO Cn1c(CC#N)nn(C[N@H+](Cc2ccccc2)[C@@H]2CC(C)(C)OC2(C)C)c1=S ZINC000794639269 887670683 /nfs/dbraw/zinc/67/06/83/887670683.db2.gz KLOKMKOZKDGMOC-QGZVFWFLSA-N 1 2 399.564 3.823 20 30 GHEDLO Cn1c(CC#N)nn(C[N@@H+](Cc2ccccc2)[C@@H]2CC(C)(C)OC2(C)C)c1=S ZINC000794639269 887670688 /nfs/dbraw/zinc/67/06/88/887670688.db2.gz KLOKMKOZKDGMOC-QGZVFWFLSA-N 1 2 399.564 3.823 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000135564627 888248692 /nfs/dbraw/zinc/24/86/92/888248692.db2.gz CKFDYCXWHAJNJG-CRAIPNDOSA-N 1 2 397.548 3.762 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000135564627 888248706 /nfs/dbraw/zinc/24/87/06/888248706.db2.gz CKFDYCXWHAJNJG-CRAIPNDOSA-N 1 2 397.548 3.762 20 30 GHEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)Nc3ccc(-c4ccccc4)cc3)C2)nc1 ZINC000794831648 888279940 /nfs/dbraw/zinc/27/99/40/888279940.db2.gz GFAPKZHOMJFNGY-QFIPXVFZSA-N 1 2 398.466 3.712 20 30 GHEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CC(=O)Nc3ccc(-c4ccccc4)cc3)C2)nc1 ZINC000794831648 888279951 /nfs/dbraw/zinc/27/99/51/888279951.db2.gz GFAPKZHOMJFNGY-QFIPXVFZSA-N 1 2 398.466 3.712 20 30 GHEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCc3c(F)cc(Br)cc3C2)cc1 ZINC000763240539 888381679 /nfs/dbraw/zinc/38/16/79/888381679.db2.gz KOJHCVVSIGGKKV-SFHVURJKSA-N 1 2 375.241 3.552 20 30 GHEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCc3c(F)cc(Br)cc3C2)cc1 ZINC000763240539 888381696 /nfs/dbraw/zinc/38/16/96/888381696.db2.gz KOJHCVVSIGGKKV-SFHVURJKSA-N 1 2 375.241 3.552 20 30 GHEDLO CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000810532911 888607354 /nfs/dbraw/zinc/60/73/54/888607354.db2.gz WKVJRFNPNLYVDI-AVRDEDQJSA-N 1 2 387.499 3.889 20 30 GHEDLO CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)cc1 ZINC000810532911 888607356 /nfs/dbraw/zinc/60/73/56/888607356.db2.gz WKVJRFNPNLYVDI-AVRDEDQJSA-N 1 2 387.499 3.889 20 30 GHEDLO CON=Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)cc1 ZINC000916564632 889140538 /nfs/dbraw/zinc/14/05/38/889140538.db2.gz OPDANEIZQYWRLV-UHFFFAOYSA-N 1 2 379.504 3.748 20 30 GHEDLO CCCCc1noc([C@H](C)O[NH+]=C(N)c2cccc(Cn3nc(C)cc3C)c2)n1 ZINC000122233618 889526463 /nfs/dbraw/zinc/52/64/63/889526463.db2.gz IRIXUOAKEKVSCD-INIZCTEOSA-N 1 2 396.495 3.672 20 30 GHEDLO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1)C(F)(F)F ZINC000811514115 889707746 /nfs/dbraw/zinc/70/77/46/889707746.db2.gz BWYKXAZESCPDRR-NSHDSACASA-N 1 2 386.311 3.735 20 30 GHEDLO O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1)C(F)(F)F ZINC000811514115 889707756 /nfs/dbraw/zinc/70/77/56/889707756.db2.gz BWYKXAZESCPDRR-NSHDSACASA-N 1 2 386.311 3.735 20 30 GHEDLO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3cc(F)c(F)c(F)c3)CC2)cc1 ZINC001184774641 913425284 /nfs/dbraw/zinc/42/52/84/913425284.db2.gz RBYUXBULEFCCAW-UHFFFAOYSA-N 1 2 388.393 3.762 20 30 GHEDLO CC[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(Cl)c1O ZINC000287619305 913447703 /nfs/dbraw/zinc/44/77/03/913447703.db2.gz JTJLQRUOOSHZIJ-RTBURBONSA-N 1 2 383.879 3.759 20 30 GHEDLO C#C[C@@H](NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)c1ccc(F)cc1 ZINC000812934810 891140342 /nfs/dbraw/zinc/14/03/42/891140342.db2.gz PDGDPFQQHBKEET-HRAATJIYSA-N 1 2 381.451 3.715 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O ZINC000872259345 891219322 /nfs/dbraw/zinc/21/93/22/891219322.db2.gz TUXMGFQAVNFDFT-QPAVJXABSA-N 1 2 387.549 3.501 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O ZINC000872259345 891219337 /nfs/dbraw/zinc/21/93/37/891219337.db2.gz TUXMGFQAVNFDFT-QPAVJXABSA-N 1 2 387.549 3.501 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C[N@H+](CCO)[C@@H]2CCCc3ccccc32)c1C#N ZINC000611347376 891860506 /nfs/dbraw/zinc/86/05/06/891860506.db2.gz DOZNZOBLSZXIAE-HSZRJFAPSA-N 1 2 386.499 3.924 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](CCO)[C@@H]2CCCc3ccccc32)c1C#N ZINC000611347376 891860519 /nfs/dbraw/zinc/86/05/19/891860519.db2.gz DOZNZOBLSZXIAE-HSZRJFAPSA-N 1 2 386.499 3.924 20 30 GHEDLO COc1ccccc1[C@@H](C/N=C\c1cc([N+](=O)[O-])ccc1O)[NH+]1CCCCC1 ZINC000917557219 892204690 /nfs/dbraw/zinc/20/46/90/892204690.db2.gz BAUYVKDLZAABPP-HBEGMLAUSA-N 1 2 383.448 3.955 20 30 GHEDLO COc1ccccc1[C@H](C/N=C\c1cc([N+](=O)[O-])ccc1O)[NH+]1CCCCC1 ZINC000917557220 892205224 /nfs/dbraw/zinc/20/52/24/892205224.db2.gz BAUYVKDLZAABPP-MAGMUUGSSA-N 1 2 383.448 3.955 20 30 GHEDLO COc1ccccc1C[NH+]1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)CC1 ZINC000455697281 893009921 /nfs/dbraw/zinc/00/99/21/893009921.db2.gz DNARZULFVZXFQZ-UHFFFAOYSA-N 1 2 398.894 3.764 20 30 GHEDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)CC1 ZINC000455706826 893061885 /nfs/dbraw/zinc/06/18/85/893061885.db2.gz QTZHYKSKQLITSI-OAHLLOKOSA-N 1 2 383.883 3.712 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000778217258 893371246 /nfs/dbraw/zinc/37/12/46/893371246.db2.gz WIEINGPYRGCLNT-OAHLLOKOSA-N 1 2 394.313 3.810 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000778217258 893371264 /nfs/dbraw/zinc/37/12/64/893371264.db2.gz WIEINGPYRGCLNT-OAHLLOKOSA-N 1 2 394.313 3.810 20 30 GHEDLO CC(C)(C)OC(=O)NCC[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)C(F)F ZINC000826047888 894362405 /nfs/dbraw/zinc/36/24/05/894362405.db2.gz CSRXSKYSYXRTEH-INIZCTEOSA-N 1 2 379.451 3.880 20 30 GHEDLO C=CCCC[C@@H](C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000878553406 894379754 /nfs/dbraw/zinc/37/97/54/894379754.db2.gz YZBQBLWPLMWETR-HSZRJFAPSA-N 1 2 383.580 3.801 20 30 GHEDLO CC(C)Oc1ccc(NC(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1C#N ZINC000564371043 894906761 /nfs/dbraw/zinc/90/67/61/894906761.db2.gz PHHWPPNNNDOCBU-UHFFFAOYSA-N 1 2 389.459 3.912 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000880319247 895634613 /nfs/dbraw/zinc/63/46/13/895634613.db2.gz DIZJBGRGGRFWEW-HUUCEWRRSA-N 1 2 386.546 3.823 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000880319247 895634621 /nfs/dbraw/zinc/63/46/21/895634621.db2.gz DIZJBGRGGRFWEW-HUUCEWRRSA-N 1 2 386.546 3.823 20 30 GHEDLO Nc1nc(Cl)cc(N=NC2CC[NH+](Cc3c(F)cccc3Cl)CC2)n1 ZINC000778543079 896392574 /nfs/dbraw/zinc/39/25/74/896392574.db2.gz HDBNIEBHIVKHNQ-UHFFFAOYSA-N 1 2 383.258 3.569 20 30 GHEDLO N#Cc1ccccc1N1CCC(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000819849176 897019645 /nfs/dbraw/zinc/01/96/45/897019645.db2.gz UAHZDGJYTZEVEI-OAQYLSRUSA-N 1 2 399.498 3.589 20 30 GHEDLO COc1ccc(CC(N)=[NH+]OCc2ncc(-c3ccc(C)cc3)o2)cc1OC ZINC000131333093 897412603 /nfs/dbraw/zinc/41/26/03/897412603.db2.gz JZDMOIFFWLYZGO-UHFFFAOYSA-N 1 2 381.432 3.699 20 30 GHEDLO CC(C)CO[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000119777215 899682126 /nfs/dbraw/zinc/68/21/26/899682126.db2.gz KHRGYFFNGACTEI-DLBZAZTESA-N 1 2 375.538 3.766 20 30 GHEDLO CC(C)CO[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000119777215 899682134 /nfs/dbraw/zinc/68/21/34/899682134.db2.gz KHRGYFFNGACTEI-DLBZAZTESA-N 1 2 375.538 3.766 20 30 GHEDLO N#Cc1csc(C[NH2+]Cc2ccc(I)c(Cl)c2)n1 ZINC000574489302 900905882 /nfs/dbraw/zinc/90/58/82/900905882.db2.gz GUAJAGPHVAGYNP-UHFFFAOYSA-N 1 2 389.649 3.563 20 30 GHEDLO Cc1nc(C2CC[NH+]([C@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)CC2)[nH]c1C ZINC000886666668 901215687 /nfs/dbraw/zinc/21/56/87/901215687.db2.gz XSMASKXCVPEQDA-LJQANCHMSA-N 1 2 393.535 3.850 20 30 GHEDLO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000576142908 901725561 /nfs/dbraw/zinc/72/55/61/901725561.db2.gz CFEDQIISQREDTF-CYBMUJFWSA-N 1 2 388.924 3.582 20 30 GHEDLO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000576142908 901725574 /nfs/dbraw/zinc/72/55/74/901725574.db2.gz CFEDQIISQREDTF-CYBMUJFWSA-N 1 2 388.924 3.582 20 30 GHEDLO COc1cc(C[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C2CC2)ccc1O ZINC000128663520 902699338 /nfs/dbraw/zinc/69/93/38/902699338.db2.gz OPGROOXIYVPRLZ-UHFFFAOYSA-N 1 2 385.489 3.554 20 30 GHEDLO COc1cc(C[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C2CC2)ccc1O ZINC000128663520 902699348 /nfs/dbraw/zinc/69/93/48/902699348.db2.gz OPGROOXIYVPRLZ-UHFFFAOYSA-N 1 2 385.489 3.554 20 30 GHEDLO CC(C)COc1ccccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000048117784 902901477 /nfs/dbraw/zinc/90/14/77/902901477.db2.gz BAMRDULPOUVQQG-UHFFFAOYSA-N 1 2 392.503 3.943 20 30 GHEDLO C=C1CC[NH+](CC(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C2CC2)CC1 ZINC000264432246 903089075 /nfs/dbraw/zinc/08/90/75/903089075.db2.gz COFSVRIPQOSUFX-UHFFFAOYSA-N 1 2 386.883 3.533 20 30 GHEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000601139186 903381509 /nfs/dbraw/zinc/38/15/09/903381509.db2.gz XSKIQSHCPQILME-FQEVSTJZSA-N 1 2 393.491 3.566 20 30 GHEDLO COc1cc(C[NH2+]Cc2cc(C#N)ccc2F)c([N+](=O)[O-])cc1OCC(F)F ZINC000779089220 904095094 /nfs/dbraw/zinc/09/50/94/904095094.db2.gz YBQORYFTIQKEBX-UHFFFAOYSA-N 1 2 395.337 3.548 20 30 GHEDLO Cc1c(Cl)c(C[NH+]2CCN(c3cnccc3C#N)CC2)nc2ccccc12 ZINC000579665543 904791189 /nfs/dbraw/zinc/79/11/89/904791189.db2.gz ZDHBEKSIIXMUGM-UHFFFAOYSA-N 1 2 377.879 3.786 20 30 GHEDLO CC(C)(C)c1cc(C#N)c(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)s1 ZINC000579684152 904814146 /nfs/dbraw/zinc/81/41/46/904814146.db2.gz GTJOJZJXHYYTHF-KRWDZBQOSA-N 1 2 383.517 3.757 20 30 GHEDLO CC(C)(C)c1cc(C#N)c(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)s1 ZINC000579684152 904814156 /nfs/dbraw/zinc/81/41/56/904814156.db2.gz GTJOJZJXHYYTHF-KRWDZBQOSA-N 1 2 383.517 3.757 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH+]1CCC(C(F)(F)F)CC1 ZINC000174190483 905221867 /nfs/dbraw/zinc/22/18/67/905221867.db2.gz DDKSRFWGRYRRDY-AWEZNQCLSA-N 1 2 383.414 3.605 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)c1C ZINC000801578461 921149525 /nfs/dbraw/zinc/14/95/25/921149525.db2.gz XLDKBSCVWHDSMS-JOCHJYFZSA-N 1 2 389.540 3.710 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)c1C ZINC000801578461 921149532 /nfs/dbraw/zinc/14/95/32/921149532.db2.gz XLDKBSCVWHDSMS-JOCHJYFZSA-N 1 2 389.540 3.710 20 30 GHEDLO O=C(c1ccccc1)N1CC[C@H]2C[C@H]([N@@H+]3CC[C@H]4SC(=O)C=C4C3)CC[C@H]2C1 ZINC001172521830 905581105 /nfs/dbraw/zinc/58/11/05/905581105.db2.gz GVMKVKFAQDCGHO-FMWKFLBASA-N 1 2 396.556 3.592 20 30 GHEDLO O=C(c1ccccc1)N1CC[C@H]2C[C@H]([N@H+]3CC[C@H]4SC(=O)C=C4C3)CC[C@H]2C1 ZINC001172521830 905581109 /nfs/dbraw/zinc/58/11/09/905581109.db2.gz GVMKVKFAQDCGHO-FMWKFLBASA-N 1 2 396.556 3.592 20 30 GHEDLO C=CCOC1CCC([NH2+][C@@H](Cc2ccc(O)cc2)C(=O)OC(C)(C)C)CC1 ZINC001173315093 906387636 /nfs/dbraw/zinc/38/76/36/906387636.db2.gz HALHHADFJZHLGZ-UUKMXZOPSA-N 1 2 375.509 3.748 20 30 GHEDLO N#Cc1ccc(Cn2cc(NC(=O)C[C@H](c3[nH]cc[nH+]3)c3ccccc3)cn2)cc1 ZINC001174793071 907209504 /nfs/dbraw/zinc/20/95/04/907209504.db2.gz RSNVHCLXOKYUAJ-NRFANRHFSA-N 1 2 396.454 3.687 20 30 GHEDLO C#Cc1ccc(NC(=O)CC[N@@H+]2CCc3nc[nH]c3[C@@H]2c2ccc(F)cc2)cc1 ZINC001175175432 907420302 /nfs/dbraw/zinc/42/03/02/907420302.db2.gz SUEAZIJWWZOVLV-QHCPKHFHSA-N 1 2 388.446 3.506 20 30 GHEDLO C#Cc1ccc(NC(=O)CC[N@H+]2CCc3nc[nH]c3[C@@H]2c2ccc(F)cc2)cc1 ZINC001175175432 907420313 /nfs/dbraw/zinc/42/03/13/907420313.db2.gz SUEAZIJWWZOVLV-QHCPKHFHSA-N 1 2 388.446 3.506 20 30 GHEDLO CC[C@H]([NH2+]CC(=O)Nc1oc(C)c(C)c1C#N)c1nc(C(F)(F)F)cs1 ZINC000185947657 907856858 /nfs/dbraw/zinc/85/68/58/907856858.db2.gz ZKCAFDXEMPCATG-NSHDSACASA-N 1 2 386.399 3.923 20 30 GHEDLO N#Cc1ccc(C2CC[NH+]([C@H](C(N)=O)c3cccc(Br)c3)CC2)cc1 ZINC001176577631 908183522 /nfs/dbraw/zinc/18/35/22/908183522.db2.gz FXHARNJMWGUZRY-IBGZPJMESA-N 1 2 398.304 3.727 20 30 GHEDLO N#Cc1ccc(NC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)c(OC(F)(F)F)c1 ZINC001176966237 908331382 /nfs/dbraw/zinc/33/13/82/908331382.db2.gz YSLWXKQPTCSZNH-CQSZACIVSA-N 1 2 390.365 3.707 20 30 GHEDLO COc1ccc(CC(N)=[NH+]OCc2csc(-c3ccccc3OC)n2)cc1 ZINC000193584779 908539244 /nfs/dbraw/zinc/53/92/44/908539244.db2.gz XFBKJHKMAMXEOR-UHFFFAOYSA-N 1 2 383.473 3.859 20 30 GHEDLO CC(=NNC1=[NH+]C[C@H](C)N1)c1ccc(-c2ccccc2Br)s1 ZINC000779795308 908679362 /nfs/dbraw/zinc/67/93/62/908679362.db2.gz RSOYGKGPCXRIIB-JTQLQIEISA-N 1 2 377.311 3.839 20 30 GHEDLO N#CC(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001177998143 908840727 /nfs/dbraw/zinc/84/07/27/908840727.db2.gz NYLZNCVIFRTUMT-OAQYLSRUSA-N 1 2 384.483 3.701 20 30 GHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000266450034 909169074 /nfs/dbraw/zinc/16/90/74/909169074.db2.gz QLVWQYCSBSRQJI-SFHVURJKSA-N 1 2 391.519 3.962 20 30 GHEDLO Cc1oc(NC(=O)C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)c(C#N)c1C ZINC000245931496 910006404 /nfs/dbraw/zinc/00/64/04/910006404.db2.gz JJEIXMLVIXARIE-SJLPKXTDSA-N 1 2 385.464 3.668 20 30 GHEDLO Cc1oc(NC(=O)C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)c(C#N)c1C ZINC000245931496 910006415 /nfs/dbraw/zinc/00/64/15/910006415.db2.gz JJEIXMLVIXARIE-SJLPKXTDSA-N 1 2 385.464 3.668 20 30 GHEDLO C=CCN(Cc1c[nH+]c2ccc(C)cn12)[C@H](Cc1ccccc1)C(=O)OCC ZINC001180897699 910444132 /nfs/dbraw/zinc/44/41/32/910444132.db2.gz YJDLOHYCMAWFFY-OAQYLSRUSA-N 1 2 377.488 3.805 20 30 GHEDLO COc1ccc(C#CC(=O)NC[C@H](c2ccc(Cl)cc2Cl)[NH+](C)C)cc1 ZINC001182050164 911158574 /nfs/dbraw/zinc/15/85/74/911158574.db2.gz VDXSDCPMLLKYCD-LJQANCHMSA-N 1 2 391.298 3.773 20 30 GHEDLO O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000642582864 912189065 /nfs/dbraw/zinc/18/90/65/912189065.db2.gz YDCNHDBBBJTMDP-UHFFFAOYSA-N 1 2 378.435 3.979 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2ccc(OC)c(OC)c2Cl)C1=O ZINC001275688648 916018539 /nfs/dbraw/zinc/01/85/39/916018539.db2.gz TYZQBLBTTSCGGD-FQEVSTJZSA-N 1 2 378.900 3.500 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(OC)c(OC)c2Cl)C1=O ZINC001275688648 916018557 /nfs/dbraw/zinc/01/85/57/916018557.db2.gz TYZQBLBTTSCGGD-FQEVSTJZSA-N 1 2 378.900 3.500 20 30 GHEDLO COc1ccc(C#N)c(C(=O)N2CC[NH+](Cc3ccc(C(C)(C)C)cc3)CC2)c1 ZINC001189076168 916391869 /nfs/dbraw/zinc/39/18/69/916391869.db2.gz PTWOZEFNWROXPH-UHFFFAOYSA-N 1 2 391.515 3.822 20 30 GHEDLO CCCCCCCNC(=O)N1Cc2c[nH+]cn2C[C@@H](COCc2ccccn2)C1 ZINC001191094411 917782286 /nfs/dbraw/zinc/78/22/86/917782286.db2.gz WWYFRVUNULQEQK-IBGZPJMESA-N 1 2 399.539 3.607 20 30 GHEDLO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000368516530 922723146 /nfs/dbraw/zinc/72/31/46/922723146.db2.gz ZHWQFQFKIJVTRO-RTBURBONSA-N 1 2 376.504 3.513 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000368787461 922873700 /nfs/dbraw/zinc/87/37/00/922873700.db2.gz WDGXYYRFXBNAJA-SJLPKXTDSA-N 1 2 387.549 3.768 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000368787461 922873712 /nfs/dbraw/zinc/87/37/12/922873712.db2.gz WDGXYYRFXBNAJA-SJLPKXTDSA-N 1 2 387.549 3.768 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[NH+]1CCC(CC#N)CC1 ZINC000543807092 924334427 /nfs/dbraw/zinc/33/44/27/924334427.db2.gz LWKWNLHAZNUMPN-QGZVFWFLSA-N 1 2 375.472 3.870 20 30 GHEDLO C[C@H](CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)C(=O)c1ccccc1 ZINC000679244498 925075078 /nfs/dbraw/zinc/07/50/78/925075078.db2.gz VTXHVYINLYBUEM-LJQANCHMSA-N 1 2 389.499 3.570 20 30 GHEDLO C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(F)c(F)cc1Br)CC2 ZINC001276147439 926007934 /nfs/dbraw/zinc/00/79/34/926007934.db2.gz URRASNQPNUMXAQ-ZDUSSCGKSA-N 1 2 399.279 3.632 20 30 GHEDLO N#CCn1c(=O)c2ccccc2nc1C[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000725805374 926448151 /nfs/dbraw/zinc/44/81/51/926448151.db2.gz QBQJVLZAXGFCHB-UHFFFAOYSA-N 1 2 390.462 3.514 20 30 GHEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000374243486 926926885 /nfs/dbraw/zinc/92/68/85/926926885.db2.gz IJBHGENTZLFVKN-UHFFFAOYSA-N 1 2 393.369 3.654 20 30 GHEDLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000749805231 927286319 /nfs/dbraw/zinc/28/63/19/927286319.db2.gz QAWWVMMLDNQSAU-MRXNPFEDSA-N 1 2 379.888 3.684 20 30 GHEDLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000749805231 927286332 /nfs/dbraw/zinc/28/63/32/927286332.db2.gz QAWWVMMLDNQSAU-MRXNPFEDSA-N 1 2 379.888 3.684 20 30 GHEDLO C#CCOc1ccccc1CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000757905813 929849789 /nfs/dbraw/zinc/84/97/89/929849789.db2.gz DKDCRXCTOSHJBX-UHFFFAOYSA-N 1 2 398.466 3.936 20 30 GHEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000469446328 929899567 /nfs/dbraw/zinc/89/95/67/929899567.db2.gz NIHSFWNSMVVNEU-YCRPNKLZSA-N 1 2 375.463 3.887 20 30 GHEDLO COC(=O)c1ccc(N=NC2CC[NH+](Cc3c(F)cccc3Cl)CC2)nc1 ZINC000758141262 929943318 /nfs/dbraw/zinc/94/33/18/929943318.db2.gz ORWUOIOVVVKAKI-UHFFFAOYSA-N 1 2 390.846 3.725 20 30 GHEDLO Cc1ccccc1-c1noc(CO[NH+]=C(N)c2ccc(Br)cc2)n1 ZINC000782949718 931372543 /nfs/dbraw/zinc/37/25/43/931372543.db2.gz XFZPMRFADAOECB-UHFFFAOYSA-N 1 2 387.237 3.645 20 30 GHEDLO COc1c[nH+]c(N[C@@H](C)c2ccc(C#N)cc2)nc1N[C@@H](C)c1ccc(C#N)cc1 ZINC000557519264 931515185 /nfs/dbraw/zinc/51/51/85/931515185.db2.gz HNENVXYEXAIXLT-HOTGVXAUSA-N 1 2 398.470 3.997 20 30 GHEDLO N#Cc1ccc(C2=CC[N@H+](CN3C[C@H](c4ccccc4F)CC3=O)CC2)cc1 ZINC000783992475 931742971 /nfs/dbraw/zinc/74/29/71/931742971.db2.gz JRADNHDHCROTHI-HXUWFJFHSA-N 1 2 375.447 3.760 20 30 GHEDLO N#Cc1ccc(C2=CC[N@@H+](CN3C[C@H](c4ccccc4F)CC3=O)CC2)cc1 ZINC000783992475 931742978 /nfs/dbraw/zinc/74/29/78/931742978.db2.gz JRADNHDHCROTHI-HXUWFJFHSA-N 1 2 375.447 3.760 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+]2CC[C@H](c3ccc(C)cc3)C2)c1=S ZINC000784024704 931758137 /nfs/dbraw/zinc/75/81/37/931758137.db2.gz HASYPSJDOAMFTF-SFHVURJKSA-N 1 2 392.532 3.813 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+]2CC[C@H](c3ccc(C)cc3)C2)c1=S ZINC000784024704 931758153 /nfs/dbraw/zinc/75/81/53/931758153.db2.gz HASYPSJDOAMFTF-SFHVURJKSA-N 1 2 392.532 3.813 20 30 GHEDLO COc1ccc(C(N)=[NH+]OCc2ccc(Br)c3cccnc23)cc1 ZINC000784048266 931766953 /nfs/dbraw/zinc/76/69/53/931766953.db2.gz YFMZMTTWWHEDDK-UHFFFAOYSA-N 1 2 386.249 3.843 20 30 GHEDLO C=CCOc1cc(OC)ccc1C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000558587632 932089290 /nfs/dbraw/zinc/08/92/90/932089290.db2.gz RSDPIOARQDEPQI-QGZVFWFLSA-N 1 2 395.503 3.813 20 30 GHEDLO CC[C@H]([NH2+]C[C@@H]1CCCN(C2CC2)[C@H]1c1ccnn1C)c1cccc(C#N)c1O ZINC000926643118 932258825 /nfs/dbraw/zinc/25/88/25/932258825.db2.gz QAZFULYYBVQECR-RBDMOPTHSA-N 1 2 393.535 3.654 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCCC[C@H]2c2ccnn2C)cc1C ZINC000799183605 932903137 /nfs/dbraw/zinc/90/31/37/932903137.db2.gz VMOQDIMIQFTYTJ-NRFANRHFSA-N 1 2 379.508 3.511 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@H]2c2ccnn2C)cc1C ZINC000799183605 932903152 /nfs/dbraw/zinc/90/31/52/932903152.db2.gz VMOQDIMIQFTYTJ-NRFANRHFSA-N 1 2 379.508 3.511 20 30 GHEDLO COCc1ccccc1/C=C(\C)C[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000560533353 933317343 /nfs/dbraw/zinc/31/73/43/933317343.db2.gz DPVDSZCFGSDEGY-FOWTUZBSSA-N 1 2 382.533 3.695 20 30 GHEDLO Cc1cc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c(C)c[nH+]1 ZINC000561226700 933974423 /nfs/dbraw/zinc/97/44/23/933974423.db2.gz IHIMQCZAWXGPHH-UHFFFAOYSA-N 1 2 382.895 3.891 20 30 GHEDLO C=CCn1c(CC(C)(C)C#N)nnc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001121504677 934677831 /nfs/dbraw/zinc/67/78/31/934677831.db2.gz IXPDIYIUGLSZIA-UHFFFAOYSA-N 1 2 398.942 3.532 20 30 GHEDLO C=CCn1c(COC2CCCCC2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001121584160 934706830 /nfs/dbraw/zinc/70/68/30/934706830.db2.gz IWUBZALGMRSPOE-UHFFFAOYSA-N 1 2 396.539 3.789 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1C[C@H](c2ccccc2)C[C@H]1C ZINC001121800584 934767964 /nfs/dbraw/zinc/76/79/64/934767964.db2.gz ISYNDSOQRQKHIJ-WIYYLYMNSA-N 1 2 392.551 3.773 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC[C@@H](COCC)C1 ZINC001122444379 934871521 /nfs/dbraw/zinc/87/15/21/934871521.db2.gz AEONDNIATMUMJJ-RTBURBONSA-N 1 2 386.544 3.549 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC[C@]2(CC2(F)F)C1 ZINC001122445743 934872019 /nfs/dbraw/zinc/87/20/19/934872019.db2.gz ZEORPSCEVRBDCE-APWZRJJASA-N 1 2 390.482 3.922 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 ZINC001122529711 934891352 /nfs/dbraw/zinc/89/13/52/934891352.db2.gz LOBOWLUQTKVMNQ-NRFANRHFSA-N 1 2 388.519 3.786 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 ZINC001122529711 934891360 /nfs/dbraw/zinc/89/13/60/934891360.db2.gz LOBOWLUQTKVMNQ-NRFANRHFSA-N 1 2 388.519 3.786 20 30 GHEDLO CC(C)(CC(=O)OCC#Cc1csc(C[NH+]2CCOCC2)c1)CC(F)F ZINC001123461817 935204228 /nfs/dbraw/zinc/20/42/28/935204228.db2.gz GGABOMKBTMRXBK-UHFFFAOYSA-N 1 2 385.476 3.547 20 30 GHEDLO N#CCCCn1cc(C(=O)N2CCC(Cc3c[nH]c[nH+]3)CC2)c2ccccc21 ZINC001123991127 935327615 /nfs/dbraw/zinc/32/76/15/935327615.db2.gz RRKSNGDDIYUIQA-UHFFFAOYSA-N 1 2 375.476 3.763 20 30 GHEDLO COc1ccc(C[NH+]2CCN(c3cccc(Br)c3)CC2)c(C#N)c1 ZINC001137704699 935734557 /nfs/dbraw/zinc/73/45/57/935734557.db2.gz QVKLNYQCEYIOIQ-UHFFFAOYSA-N 1 2 386.293 3.652 20 30 GHEDLO CC(C)CO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000468764518 1016010363 /nfs/dbraw/zinc/01/03/63/1016010363.db2.gz AXBNZEMDJORJDA-CVEARBPZSA-N 1 2 389.565 3.963 20 30 GHEDLO CC(C)CO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000468764518 1016010373 /nfs/dbraw/zinc/01/03/73/1016010373.db2.gz AXBNZEMDJORJDA-CVEARBPZSA-N 1 2 389.565 3.963 20 30 GHEDLO CCCCCCOc1ccccc1C[NH+]1CCN(c2nccnc2C#N)CC1 ZINC001204293551 1032734405 /nfs/dbraw/zinc/73/44/05/1032734405.db2.gz FQFIKXOJNBGZJP-UHFFFAOYSA-N 1 2 379.508 3.630 20 30 GHEDLO C=CCOc1ccc(C[N@@H+]2Cc3ncn(CC4CC4)c3[C@H](COCC)C2)cc1 ZINC001204301302 1032744609 /nfs/dbraw/zinc/74/46/09/1032744609.db2.gz VPJZUGJBQUHPSV-FQEVSTJZSA-N 1 2 381.520 3.994 20 30 GHEDLO C=CCOc1ccc(C[N@H+]2Cc3ncn(CC4CC4)c3[C@H](COCC)C2)cc1 ZINC001204301302 1032744629 /nfs/dbraw/zinc/74/46/29/1032744629.db2.gz VPJZUGJBQUHPSV-FQEVSTJZSA-N 1 2 381.520 3.994 20 30 GHEDLO C=CCOc1ccc(C[N@@H+]2Cc3ncn(CC4CC4)c3[C@@H](COCC)C2)cc1 ZINC001204301303 1032745770 /nfs/dbraw/zinc/74/57/70/1032745770.db2.gz VPJZUGJBQUHPSV-HXUWFJFHSA-N 1 2 381.520 3.994 20 30 GHEDLO C=CCOc1ccc(C[N@H+]2Cc3ncn(CC4CC4)c3[C@@H](COCC)C2)cc1 ZINC001204301303 1032745782 /nfs/dbraw/zinc/74/57/82/1032745782.db2.gz VPJZUGJBQUHPSV-HXUWFJFHSA-N 1 2 381.520 3.994 20 30 GHEDLO N#Cc1ccccc1CN1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001204367963 1032809154 /nfs/dbraw/zinc/80/91/54/1032809154.db2.gz GYWMKECWJDYWQY-QGZVFWFLSA-N 1 2 397.276 3.542 20 30 GHEDLO CC(C)(C)OC(=O)n1cc(CN2CC([N@@H+]3CC[C@H](F)C3)C2)c2cc(C#N)ccc21 ZINC001140439538 1021711222 /nfs/dbraw/zinc/71/12/22/1021711222.db2.gz IPTNZNYNHDMXBP-KRWDZBQOSA-N 1 2 398.482 3.524 20 30 GHEDLO CC(C)(C)OC(=O)n1cc(CN2CC([N@H+]3CC[C@H](F)C3)C2)c2cc(C#N)ccc21 ZINC001140439538 1021711238 /nfs/dbraw/zinc/71/12/38/1021711238.db2.gz IPTNZNYNHDMXBP-KRWDZBQOSA-N 1 2 398.482 3.524 20 30 GHEDLO C[C@H](N[NH+]=Cc1sc(N2CCOCC2)nc1-c1ccccc1)C(F)(F)F ZINC000834997020 1021758536 /nfs/dbraw/zinc/75/85/36/1021758536.db2.gz XWQGSBARKOJBCT-LBPRGKRZSA-N 1 2 384.427 3.521 20 30 GHEDLO C=CCOC[C@@H]1C[N@H+](Cc2coc3ccccc23)Cc2nnn(CC3CC3)c21 ZINC001140783402 1022513523 /nfs/dbraw/zinc/51/35/23/1022513523.db2.gz VHNQKUVRJUGKFG-SFHVURJKSA-N 1 2 378.476 3.736 20 30 GHEDLO C=CCOC[C@@H]1C[N@@H+](Cc2coc3ccccc23)Cc2nnn(CC3CC3)c21 ZINC001140783402 1022513530 /nfs/dbraw/zinc/51/35/30/1022513530.db2.gz VHNQKUVRJUGKFG-SFHVURJKSA-N 1 2 378.476 3.736 20 30 GHEDLO C[C@H](CCCC(F)(F)F)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000754863649 1022938979 /nfs/dbraw/zinc/93/89/79/1022938979.db2.gz SVDNFFRUCJGHRT-GFCCVEGCSA-N 1 2 380.414 3.767 20 30 GHEDLO CC(C)c1[nH+]c(C=NNc2ccc(S(=O)(=O)C(F)F)cc2)c2ccccn21 ZINC000755683906 1023335485 /nfs/dbraw/zinc/33/54/85/1023335485.db2.gz UQZZOAPTKYCIKL-UHFFFAOYSA-N 1 2 392.431 3.900 20 30 GHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+]2CCC[C@H]3COCC[C@H]32)c1=S ZINC000756870780 1023843046 /nfs/dbraw/zinc/84/30/46/1023843046.db2.gz BKNTUODCFBBVDN-RBUKOAKNSA-N 1 2 384.549 3.649 20 30 GHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+]2CCC[C@H]3COCC[C@H]32)c1=S ZINC000756870780 1023843055 /nfs/dbraw/zinc/84/30/55/1023843055.db2.gz BKNTUODCFBBVDN-RBUKOAKNSA-N 1 2 384.549 3.649 20 30 GHEDLO C#CC[C@@H](NC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)c1ccccc1 ZINC000757059202 1023923015 /nfs/dbraw/zinc/92/30/15/1023923015.db2.gz NWFFUNUUHRQGQU-HSZRJFAPSA-N 1 2 390.531 3.785 20 30 GHEDLO C#CC[C@H](NC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)c1ccccc1 ZINC000757059203 1023923383 /nfs/dbraw/zinc/92/33/83/1023923383.db2.gz NWFFUNUUHRQGQU-QHCPKHFHSA-N 1 2 390.531 3.785 20 30 GHEDLO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H]2OCCC[C@@]2(COc2ncccc2F)C1 ZINC001141164929 1023992562 /nfs/dbraw/zinc/99/25/62/1023992562.db2.gz NJORPSVUKBHMDW-IRLDBZIGSA-N 1 2 399.441 3.682 20 30 GHEDLO N#Cc1cc(F)ccc1C[N@H+]1CC[C@H]2OCCC[C@@]2(COc2ncccc2F)C1 ZINC001141164929 1023992566 /nfs/dbraw/zinc/99/25/66/1023992566.db2.gz NJORPSVUKBHMDW-IRLDBZIGSA-N 1 2 399.441 3.682 20 30 GHEDLO N#Cc1cccc([C@H](NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)C(F)(F)F)c1 ZINC000831095360 1024352886 /nfs/dbraw/zinc/35/28/86/1024352886.db2.gz CGMTXGXZIYCHII-JSGCOSHPSA-N 1 2 390.287 3.668 20 30 GHEDLO C#CCOc1ccc(C[N@H+]2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)cc1OC ZINC001138349314 1024711445 /nfs/dbraw/zinc/71/14/45/1024711445.db2.gz VSTSLESLOFLFQW-CALCHBBNSA-N 1 2 388.508 3.537 20 30 GHEDLO C#CCOc1ccc(C[N@@H+]2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)cc1OC ZINC001138349314 1024711461 /nfs/dbraw/zinc/71/14/61/1024711461.db2.gz VSTSLESLOFLFQW-CALCHBBNSA-N 1 2 388.508 3.537 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1cnc(-c2ccccc2)s1 ZINC001138529295 1024970387 /nfs/dbraw/zinc/97/03/87/1024970387.db2.gz MDZMOSXZXQJUNC-LJQANCHMSA-N 1 2 380.517 3.846 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1cnc(-c2ccccc2)s1 ZINC001138529295 1024970388 /nfs/dbraw/zinc/97/03/88/1024970388.db2.gz MDZMOSXZXQJUNC-LJQANCHMSA-N 1 2 380.517 3.846 20 30 GHEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(NCCc2ccc3c(c2)OCO3)[nH+]1 ZINC001162083575 1025594725 /nfs/dbraw/zinc/59/47/25/1025594725.db2.gz BPDSEMPAJIFSJE-XRGIRGSUSA-N 1 2 387.505 3.654 20 30 GHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC([C@H](O)c2cc(F)ccc2F)CC1 ZINC000839155429 1025659422 /nfs/dbraw/zinc/65/94/22/1025659422.db2.gz JDXXVKGSTLCAEF-QKKBWIMNSA-N 1 2 399.441 3.609 20 30 GHEDLO C=CCOc1ccccc1C[N@H+]1Cc2c(cnn2CC)[C@H](COCC2CC2)C1 ZINC001139028888 1025797006 /nfs/dbraw/zinc/79/70/06/1025797006.db2.gz HUQHVQHOLBXXEM-FQEVSTJZSA-N 1 2 381.520 3.994 20 30 GHEDLO C=CCOc1ccccc1C[N@@H+]1Cc2c(cnn2CC)[C@H](COCC2CC2)C1 ZINC001139028888 1025797027 /nfs/dbraw/zinc/79/70/27/1025797027.db2.gz HUQHVQHOLBXXEM-FQEVSTJZSA-N 1 2 381.520 3.994 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@H+]2CCCC[C@](O)(C(F)(F)F)C2)c1 ZINC001141654680 1026090827 /nfs/dbraw/zinc/09/08/27/1026090827.db2.gz GNECQBNLTWTMGG-CQSZACIVSA-N 1 2 377.204 3.600 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCCC[C@](O)(C(F)(F)F)C2)c1 ZINC001141654680 1026090841 /nfs/dbraw/zinc/09/08/41/1026090841.db2.gz GNECQBNLTWTMGG-CQSZACIVSA-N 1 2 377.204 3.600 20 30 GHEDLO N#Cc1ccc(Oc2ccc(C[NH+]3CCN(c4cccc(C#N)c4)CC3)cn2)cc1 ZINC001139428091 1026299079 /nfs/dbraw/zinc/29/90/79/1026299079.db2.gz AZNJZWZDOPKXLG-UHFFFAOYSA-N 1 2 395.466 3.939 20 30 GHEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC001139429005 1026299207 /nfs/dbraw/zinc/29/92/07/1026299207.db2.gz NUNRPMJCWPLECC-IBGZPJMESA-N 1 2 392.459 3.622 20 30 GHEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC001139429005 1026299218 /nfs/dbraw/zinc/29/92/18/1026299218.db2.gz NUNRPMJCWPLECC-IBGZPJMESA-N 1 2 392.459 3.622 20 30 GHEDLO CC(=O)O[C@H]1Cc2ccc([NH+]=C(NO)c3ccc(OC(F)(F)F)cc3)cc2C1 ZINC001163766099 1026309196 /nfs/dbraw/zinc/30/91/96/1026309196.db2.gz UCMJLRJSLXHLPT-KRWDZBQOSA-N 1 2 394.349 3.673 20 30 GHEDLO CC(C)(C)OC(=O)c1ccc(N2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)cc1 ZINC001139530948 1026389534 /nfs/dbraw/zinc/38/95/34/1026389534.db2.gz YOKCSQUMSHLUCI-UHFFFAOYSA-N 1 2 395.478 3.975 20 30 GHEDLO N#Cc1ccc(F)c(CN2CC[N@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)c1 ZINC001139650791 1026512561 /nfs/dbraw/zinc/51/25/61/1026512561.db2.gz WNWSZWKGVHQCAU-LJQANCHMSA-N 1 2 377.385 3.946 20 30 GHEDLO N#Cc1ccc(F)c(CN2CC[N@@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)c1 ZINC001139650791 1026512566 /nfs/dbraw/zinc/51/25/66/1026512566.db2.gz WNWSZWKGVHQCAU-LJQANCHMSA-N 1 2 377.385 3.946 20 30 GHEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(Cl)cc1OC(F)(F)F ZINC001276401017 1026527366 /nfs/dbraw/zinc/52/73/66/1026527366.db2.gz JBEPCQCVRZYWLZ-HUUCEWRRSA-N 1 2 388.817 3.990 20 30 GHEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(Cl)cc1OC(F)(F)F ZINC001276401017 1026527375 /nfs/dbraw/zinc/52/73/75/1026527375.db2.gz JBEPCQCVRZYWLZ-HUUCEWRRSA-N 1 2 388.817 3.990 20 30 GHEDLO N#Cc1c(Cl)cccc1C[N@@H+]1CCC[C@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001139688440 1026539807 /nfs/dbraw/zinc/53/98/07/1026539807.db2.gz LLHRYSJZDGJTBN-QFIPXVFZSA-N 1 2 394.906 3.764 20 30 GHEDLO N#Cc1c(Cl)cccc1C[N@H+]1CCC[C@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001139688440 1026539811 /nfs/dbraw/zinc/53/98/11/1026539811.db2.gz LLHRYSJZDGJTBN-QFIPXVFZSA-N 1 2 394.906 3.764 20 30 GHEDLO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3cccc(Cl)c3C#N)C[C@@H]12 ZINC001139689720 1026541452 /nfs/dbraw/zinc/54/14/52/1026541452.db2.gz TYIJAPBGYBVOSO-DHIUTWEWSA-N 1 2 393.918 3.976 20 30 GHEDLO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@@H+](Cc3cccc(Cl)c3C#N)C[C@@H]12 ZINC001139689720 1026541474 /nfs/dbraw/zinc/54/14/74/1026541474.db2.gz TYIJAPBGYBVOSO-DHIUTWEWSA-N 1 2 393.918 3.976 20 30 GHEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1cnc(-c3ccc(F)cc3)s1)CC2 ZINC001140095345 1026871696 /nfs/dbraw/zinc/87/16/96/1026871696.db2.gz WTYPRGMAAIQPSJ-UHFFFAOYSA-N 1 2 398.507 3.944 20 30 GHEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1cnc(-c3ccc(F)cc3)s1)CC2 ZINC001140095345 1026871700 /nfs/dbraw/zinc/87/17/00/1026871700.db2.gz WTYPRGMAAIQPSJ-UHFFFAOYSA-N 1 2 398.507 3.944 20 30 GHEDLO C=CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001166990403 1027181328 /nfs/dbraw/zinc/18/13/28/1027181328.db2.gz KCZBPOXTRKGXCA-LBPRGKRZSA-N 1 2 396.862 3.630 20 30 GHEDLO N#Cc1cc(Nc2cc[nH+]c3ccc(I)cc23)ccc1O ZINC001210531270 1027546535 /nfs/dbraw/zinc/54/65/35/1027546535.db2.gz VRJZOJANHGRFHD-UHFFFAOYSA-N 1 2 387.180 3.582 20 30 GHEDLO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2cc(Br)ccc2C#N)C1 ZINC001141902797 1027627810 /nfs/dbraw/zinc/62/78/10/1027627810.db2.gz DYJYVCOPDJCMPY-CYBMUJFWSA-N 1 2 394.313 3.667 20 30 GHEDLO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2cc(Br)ccc2C#N)C1 ZINC001141902797 1027627824 /nfs/dbraw/zinc/62/78/24/1027627824.db2.gz DYJYVCOPDJCMPY-CYBMUJFWSA-N 1 2 394.313 3.667 20 30 GHEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1cc(F)c(Br)cc1F)CC2 ZINC001141912114 1027636466 /nfs/dbraw/zinc/63/64/66/1027636466.db2.gz LUGMYXLKWRADFG-UHFFFAOYSA-N 1 2 399.279 3.870 20 30 GHEDLO CSc1nc(C[N@@H+]2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C)ccc1C#N ZINC001141931652 1027690313 /nfs/dbraw/zinc/69/03/13/1027690313.db2.gz HLRGSOFWLSLDJW-AWEZNQCLSA-N 1 2 376.526 3.506 20 30 GHEDLO CSc1nc(C[N@H+]2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C)ccc1C#N ZINC001141931652 1027690318 /nfs/dbraw/zinc/69/03/18/1027690318.db2.gz HLRGSOFWLSLDJW-AWEZNQCLSA-N 1 2 376.526 3.506 20 30 GHEDLO CC#Cc1cncc(Nc2ccc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)[nH+]c2)c1 ZINC001211056279 1027770277 /nfs/dbraw/zinc/77/02/77/1027770277.db2.gz LUZUFSZWIVDGCX-GOSISDBHSA-N 1 2 393.491 3.695 20 30 GHEDLO N#Cc1cc(Cl)cc(Nc2ccc(OCC[NH+]3CCOCC3)cc2F)c1 ZINC001213484966 1028217790 /nfs/dbraw/zinc/21/77/90/1028217790.db2.gz LEVAORZSIMBHSJ-UHFFFAOYSA-N 1 2 375.831 3.805 20 30 GHEDLO N#Cc1cc(Cl)ccc1Nc1ccc(OCC[NH+]2CCOCC2)cc1F ZINC001213484972 1028218099 /nfs/dbraw/zinc/21/80/99/1028218099.db2.gz LTRCHXBKNOECOJ-UHFFFAOYSA-N 1 2 375.831 3.805 20 30 GHEDLO Cc1[nH]c([C@@H]2CCCN2S(=O)(=O)c2c(C#N)sc3ccccc32)[nH+]c1C ZINC001213709210 1028342456 /nfs/dbraw/zinc/34/24/56/1028342456.db2.gz KSRONRPWIKTCMU-AWEZNQCLSA-N 1 2 386.502 3.639 20 30 GHEDLO COc1cc(Cl)c(C[N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)c(Cl)c1 ZINC001142292589 1028595297 /nfs/dbraw/zinc/59/52/97/1028595297.db2.gz GVVZRYZCEFSQCI-UHFFFAOYSA-N 1 2 391.302 3.981 20 30 GHEDLO COc1cc(Cl)c(C[N@H+]2CCCN(c3ccc(C#N)cn3)CC2)c(Cl)c1 ZINC001142292589 1028595307 /nfs/dbraw/zinc/59/53/07/1028595307.db2.gz GVVZRYZCEFSQCI-UHFFFAOYSA-N 1 2 391.302 3.981 20 30 GHEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000841598114 1028758663 /nfs/dbraw/zinc/75/86/63/1028758663.db2.gz LXKFRQWCJBRZCS-OAQYLSRUSA-N 1 2 392.503 3.574 20 30 GHEDLO C#CCOc1cccc(Cl)c1CNc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC001461462499 1069560600 /nfs/dbraw/zinc/56/06/00/1069560600.db2.gz SQQIZKHSZYSGTD-HZPDHXFCSA-N 1 2 385.895 3.973 20 30 GHEDLO C#CC[C@H]1CCC[N@@H+](Cn2nc(COc3ccccc3Cl)n(C)c2=S)C1 ZINC000842628255 1029430302 /nfs/dbraw/zinc/43/03/02/1029430302.db2.gz VWDKBSMLXZTRPD-HNNXBMFYSA-N 1 2 390.940 3.876 20 30 GHEDLO C#CC[C@H]1CCC[N@H+](Cn2nc(COc3ccccc3Cl)n(C)c2=S)C1 ZINC000842628255 1029430311 /nfs/dbraw/zinc/43/03/11/1029430311.db2.gz VWDKBSMLXZTRPD-HNNXBMFYSA-N 1 2 390.940 3.876 20 30 GHEDLO Cc1c(C#N)cccc1Nc1cncnc1[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001216173539 1029556511 /nfs/dbraw/zinc/55/65/11/1029556511.db2.gz JXZPSAAODFHQBC-QFIPXVFZSA-N 1 2 385.471 3.974 20 30 GHEDLO Cc1c(C#N)cccc1Nc1cncnc1[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001216173539 1029556521 /nfs/dbraw/zinc/55/65/21/1029556521.db2.gz JXZPSAAODFHQBC-QFIPXVFZSA-N 1 2 385.471 3.974 20 30 GHEDLO N#Cc1ccc2c(C[NH+]3CCN(C(=O)c4ccc(Cl)cc4)CC3)c[nH]c2c1 ZINC001142926530 1029702455 /nfs/dbraw/zinc/70/24/55/1029702455.db2.gz UQDWDILUVAXGPN-UHFFFAOYSA-N 1 2 378.863 3.651 20 30 GHEDLO COc1ccc(OC)c(/C(=N/O)O[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C)c1 ZINC001223889061 1030792047 /nfs/dbraw/zinc/79/20/47/1030792047.db2.gz VNROWVRIAMFNSJ-TUYFGVPKSA-N 1 2 384.476 3.767 20 30 GHEDLO COc1ccc(OC)c(/C(=N/O)O[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)c1 ZINC001223889061 1030792061 /nfs/dbraw/zinc/79/20/61/1030792061.db2.gz VNROWVRIAMFNSJ-TUYFGVPKSA-N 1 2 384.476 3.767 20 30 GHEDLO COc1cc(NC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)c(F)cc1C#N ZINC001219582259 1031510893 /nfs/dbraw/zinc/51/08/93/1031510893.db2.gz YPHFRPONIAKZDJ-QGZVFWFLSA-N 1 2 393.422 3.545 20 30 GHEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC001461838983 1069782527 /nfs/dbraw/zinc/78/25/27/1069782527.db2.gz RODWNTRQTSLGOK-GOSISDBHSA-N 1 2 386.293 3.537 20 30 GHEDLO COC(=O)[C@@H](Oc1nc(C)c(-c2ccc3[nH+]ccn3c2)cc1C#N)c1ccccc1 ZINC001229766095 1033697935 /nfs/dbraw/zinc/69/79/35/1033697935.db2.gz JDYNJKKSAGOANP-NRFANRHFSA-N 1 2 398.422 3.870 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2ccc(Br)c(OC)c2)C1=O ZINC001276511018 1034112793 /nfs/dbraw/zinc/11/27/93/1034112793.db2.gz OLMJUVDCLRQWBY-LJQANCHMSA-N 1 2 393.325 3.601 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+]2Cc2ccc(Br)c(OC)c2)C1=O ZINC001276511018 1034112794 /nfs/dbraw/zinc/11/27/94/1034112794.db2.gz OLMJUVDCLRQWBY-LJQANCHMSA-N 1 2 393.325 3.601 20 30 GHEDLO C=CCC[C@H](NC(=O)N[C@@H]1Cc2c[nH+]cn2C1)c1ccc(C(F)(F)F)cc1 ZINC001230693849 1034184470 /nfs/dbraw/zinc/18/44/70/1034184470.db2.gz MLJLRRMWKRUTKU-WBVHZDCISA-N 1 2 378.398 3.833 20 30 GHEDLO Cc1c(Cl)c(Cl)nc(N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)c1C#N ZINC001158623342 1034206816 /nfs/dbraw/zinc/20/68/16/1034206816.db2.gz GBWVWOUCBUEHFW-GFCCVEGCSA-N 1 2 375.250 3.878 20 30 GHEDLO Fc1cccnc1C[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001207704298 1034535732 /nfs/dbraw/zinc/53/57/32/1034535732.db2.gz PUODRVZUNWSIIU-YUMQZZPRSA-N 1 2 378.238 3.824 20 30 GHEDLO CC(C)NC(=O)c1noc2c1C[N@H+](Cc1ccccc1C#Cc1ccccc1)CC2 ZINC001231579043 1034729215 /nfs/dbraw/zinc/72/92/15/1034729215.db2.gz XOICSAQMPNPXPW-UHFFFAOYSA-N 1 2 399.494 3.771 20 30 GHEDLO CC(C)NC(=O)c1noc2c1C[N@@H+](Cc1ccccc1C#Cc1ccccc1)CC2 ZINC001231579043 1034729228 /nfs/dbraw/zinc/72/92/28/1034729228.db2.gz XOICSAQMPNPXPW-UHFFFAOYSA-N 1 2 399.494 3.771 20 30 GHEDLO CCOC(=O)C1(C#N)CC[NH+](CCCc2ccccc2Br)CC1 ZINC001208847577 1035055867 /nfs/dbraw/zinc/05/58/67/1035055867.db2.gz CLIGCYYVPCEEHK-UHFFFAOYSA-N 1 2 379.298 3.551 20 30 GHEDLO Cn1nc(C(F)F)c(C[N@@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)c1Cl ZINC001232058034 1035069289 /nfs/dbraw/zinc/06/92/89/1035069289.db2.gz ZOPZVNICDHKZCG-AWEZNQCLSA-N 1 2 380.826 3.926 20 30 GHEDLO Cn1nc(C(F)F)c(C[N@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)c1Cl ZINC001232058034 1035069296 /nfs/dbraw/zinc/06/92/96/1035069296.db2.gz ZOPZVNICDHKZCG-AWEZNQCLSA-N 1 2 380.826 3.926 20 30 GHEDLO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1c(F)cncc1Br)C2 ZINC001232126012 1035110524 /nfs/dbraw/zinc/11/05/24/1035110524.db2.gz AMLAHEPEMQCWLA-GOSISDBHSA-N 1 2 396.304 3.516 20 30 GHEDLO C=CCN1C(=O)CCC[C@]12CCC[N@H+](Cc1c(F)cncc1Br)C2 ZINC001232126012 1035110529 /nfs/dbraw/zinc/11/05/29/1035110529.db2.gz AMLAHEPEMQCWLA-GOSISDBHSA-N 1 2 396.304 3.516 20 30 GHEDLO Cc1nc(NCc2c[nH+]cn2Cc2ccccc2Br)ccc1C#N ZINC001161521210 1035248817 /nfs/dbraw/zinc/24/88/17/1035248817.db2.gz DZUSIRLYZHVTPD-UHFFFAOYSA-N 1 2 382.265 3.881 20 30 GHEDLO N#C[C@H](c1ccc(NCc2c[nH+]cn2CC2CCC2)nn1)c1ccccc1F ZINC001161533085 1035252134 /nfs/dbraw/zinc/25/21/34/1035252134.db2.gz FJSSCJYGSLWDLM-SFHVURJKSA-N 1 2 376.439 3.880 20 30 GHEDLO N#CC1(c2ccc(-c3ccc(OCC[NH+]4CCOCC4)cc3F)nc2)CCC1 ZINC001244128945 1036383858 /nfs/dbraw/zinc/38/38/58/1036383858.db2.gz GEFVTWWPBANXCF-UHFFFAOYSA-N 1 2 381.451 3.544 20 30 GHEDLO CN1C(=O)[C@@H](c2cccnc2)CC12CC[NH+](Cc1ccc(Cl)cc1C#N)CC2 ZINC001232607240 1038389886 /nfs/dbraw/zinc/38/98/86/1038389886.db2.gz GJLZKUFHSNNQRE-HXUWFJFHSA-N 1 2 394.906 3.587 20 30 GHEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC001232607407 1038391020 /nfs/dbraw/zinc/39/10/20/1038391020.db2.gz NQKKSGHORNQWGV-PXNSSMCTSA-N 1 2 387.842 3.558 20 30 GHEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC001232607407 1038391033 /nfs/dbraw/zinc/39/10/33/1038391033.db2.gz NQKKSGHORNQWGV-PXNSSMCTSA-N 1 2 387.842 3.558 20 30 GHEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001232608099 1038392373 /nfs/dbraw/zinc/39/23/73/1038392373.db2.gz UWIUGTOPXHQLRI-PWRODBHTSA-N 1 2 383.879 3.808 20 30 GHEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001232608099 1038392382 /nfs/dbraw/zinc/39/23/82/1038392382.db2.gz UWIUGTOPXHQLRI-PWRODBHTSA-N 1 2 383.879 3.808 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCO[C@]3(CCC[C@H]3COCc3cccnc3)C2)s1 ZINC001232843022 1038593514 /nfs/dbraw/zinc/59/35/14/1038593514.db2.gz QTCCYUOFCBUPTF-GHTZIAJQSA-N 1 2 383.517 3.603 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCO[C@]3(CCC[C@H]3COCc3cccnc3)C2)s1 ZINC001232843022 1038593518 /nfs/dbraw/zinc/59/35/18/1038593518.db2.gz QTCCYUOFCBUPTF-GHTZIAJQSA-N 1 2 383.517 3.603 20 30 GHEDLO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3ccc(F)c(O)c3F)C2)CC1 ZINC001232931337 1038713386 /nfs/dbraw/zinc/71/33/86/1038713386.db2.gz MPXNVRWTYQNMBP-UHFFFAOYSA-N 1 2 380.435 3.671 20 30 GHEDLO C=CCOC(=O)N1CCC2(CCC[N@H+](Cc3ccc(F)c(O)c3F)C2)CC1 ZINC001232931337 1038713395 /nfs/dbraw/zinc/71/33/95/1038713395.db2.gz MPXNVRWTYQNMBP-UHFFFAOYSA-N 1 2 380.435 3.671 20 30 GHEDLO N#Cc1cccc(C[NH+]2CCC(C(=O)c3ccc(Br)cc3)CC2)n1 ZINC001232924473 1038713462 /nfs/dbraw/zinc/71/34/62/1038713462.db2.gz DOLSQQKACJYXPU-UHFFFAOYSA-N 1 2 384.277 3.811 20 30 GHEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1C[C@@H](O)CCCCCCCC ZINC001252127172 1038878225 /nfs/dbraw/zinc/87/82/25/1038878225.db2.gz XZRPXOAAYKNVAR-ICSRJNTNSA-N 1 2 378.561 3.511 20 30 GHEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1C[C@@H](O)CCCCCCCC ZINC001252127172 1038878251 /nfs/dbraw/zinc/87/82/51/1038878251.db2.gz XZRPXOAAYKNVAR-ICSRJNTNSA-N 1 2 378.561 3.511 20 30 GHEDLO CCCCCCCC[C@@H](O)CNc1ccc(N2CC[NH+](C3COC3)CC2)cc1 ZINC001252131141 1038882593 /nfs/dbraw/zinc/88/25/93/1038882593.db2.gz HGWYEVKONLMVRM-HSZRJFAPSA-N 1 2 389.584 3.731 20 30 GHEDLO CCOC[C@H]1C[N@H+](Cc2ccc(C#N)cc2O)Cc2cn(CC3CCCC3)nc21 ZINC001233384875 1039211394 /nfs/dbraw/zinc/21/13/94/1039211394.db2.gz LUKCECUEXBOBLF-OAQYLSRUSA-N 1 2 394.519 3.786 20 30 GHEDLO CCOC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2O)Cc2cn(CC3CCCC3)nc21 ZINC001233384875 1039211406 /nfs/dbraw/zinc/21/14/06/1039211406.db2.gz LUKCECUEXBOBLF-OAQYLSRUSA-N 1 2 394.519 3.786 20 30 GHEDLO C=CCOc1cccnc1C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001254159533 1040014646 /nfs/dbraw/zinc/01/46/46/1040014646.db2.gz JZDZEMOVLXDBQB-UHFFFAOYSA-N 1 2 391.475 3.761 20 30 GHEDLO N#CCCCN1CC[C@]2(CCC[N@H+]2Cc2cc3sccc3nc2Cl)C1=O ZINC001277867098 1040146750 /nfs/dbraw/zinc/14/67/50/1040146750.db2.gz RKQAFXAAMHJWHU-LJQANCHMSA-N 1 2 388.924 3.820 20 30 GHEDLO N#CCCCN1CC[C@]2(CCC[N@@H+]2Cc2cc3sccc3nc2Cl)C1=O ZINC001277867098 1040146756 /nfs/dbraw/zinc/14/67/56/1040146756.db2.gz RKQAFXAAMHJWHU-LJQANCHMSA-N 1 2 388.924 3.820 20 30 GHEDLO C=C[C@@H]1C[C@@]1([NH2+][C@@H]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2)C(=O)OCC ZINC001254734335 1040493025 /nfs/dbraw/zinc/49/30/25/1040493025.db2.gz TTWOVTRZVANQNK-YVHKJVDXSA-N 1 2 392.540 3.654 20 30 GHEDLO N#CCc1ccccc1CN1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001235525184 1040975613 /nfs/dbraw/zinc/97/56/13/1040975613.db2.gz KGPMKCNLBSBAHK-UHFFFAOYSA-N 1 2 389.421 3.969 20 30 GHEDLO COc1cc(C#N)ccc1OC1CC[NH+](Cc2cnc(OC)c(Cl)c2)CC1 ZINC001235706519 1041186862 /nfs/dbraw/zinc/18/68/62/1041186862.db2.gz QSDDORNCUUAETE-UHFFFAOYSA-N 1 2 387.867 3.667 20 30 GHEDLO Cn1cc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)CC23CC3)c2cc(C#N)ccc21 ZINC001237468905 1042221125 /nfs/dbraw/zinc/22/11/25/1042221125.db2.gz QZNSYIRAXPJECS-UHFFFAOYSA-N 1 2 380.492 3.635 20 30 GHEDLO Cn1cc(C[N@H+]2CCN(C(=O)OC(C)(C)C)CC23CC3)c2cc(C#N)ccc21 ZINC001237468905 1042221130 /nfs/dbraw/zinc/22/11/30/1042221130.db2.gz QZNSYIRAXPJECS-UHFFFAOYSA-N 1 2 380.492 3.635 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@@]2(CCC[N@@H+]2Cc2cc(C#N)c(F)cc2F)C1 ZINC001237525935 1042251463 /nfs/dbraw/zinc/25/14/63/1042251463.db2.gz XBLYKKPCYZYWPF-FQEVSTJZSA-N 1 2 377.435 3.812 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@@]2(CCC[N@H+]2Cc2cc(C#N)c(F)cc2F)C1 ZINC001237525935 1042251466 /nfs/dbraw/zinc/25/14/66/1042251466.db2.gz XBLYKKPCYZYWPF-FQEVSTJZSA-N 1 2 377.435 3.812 20 30 GHEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3c(F)cc(C(F)(F)F)cc3F)CC2)nc1 ZINC001237708040 1042335352 /nfs/dbraw/zinc/33/53/52/1042335352.db2.gz JYJHIEQHCQNBCS-UHFFFAOYSA-N 1 2 396.363 3.963 20 30 GHEDLO N#Cc1ccc(N2CCC[N@H+](Cc3c(F)cc(C(F)(F)F)cc3F)CC2)nc1 ZINC001237708040 1042335361 /nfs/dbraw/zinc/33/53/61/1042335361.db2.gz JYJHIEQHCQNBCS-UHFFFAOYSA-N 1 2 396.363 3.963 20 30 GHEDLO C=CCOC(=O)N1CC[NH+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC001237900153 1042415561 /nfs/dbraw/zinc/41/55/61/1042415561.db2.gz PYTWKCGTAZDDFV-UHFFFAOYSA-N 1 2 394.397 3.536 20 30 GHEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1ccc(F)c(Br)c1F)CC2 ZINC001238075354 1042482890 /nfs/dbraw/zinc/48/28/90/1042482890.db2.gz IRUKCEMVMARYEO-UHFFFAOYSA-N 1 2 399.279 3.870 20 30 GHEDLO CCn1c2ccccc2nc1N1CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC001238084390 1042486695 /nfs/dbraw/zinc/48/66/95/1042486695.db2.gz IYZRJQLKFRGCAS-UHFFFAOYSA-N 1 2 379.895 3.903 20 30 GHEDLO COc1cnc(C[NH+]2CCC(Oc3ccc(C#N)cc3OC)CC2)c(Cl)c1 ZINC001238493246 1042618238 /nfs/dbraw/zinc/61/82/38/1042618238.db2.gz HHPAACCDEBZPTB-UHFFFAOYSA-N 1 2 387.867 3.667 20 30 GHEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3cc(F)c(F)cc3OCC)C2)CC1 ZINC001238652197 1042670890 /nfs/dbraw/zinc/67/08/90/1042670890.db2.gz OKAYEQVTRVBQQE-UHFFFAOYSA-N 1 2 380.435 3.584 20 30 GHEDLO C=C(C)CN(CC)c1nnc(CC2CCCC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001300920462 1046242042 /nfs/dbraw/zinc/24/20/42/1046242042.db2.gz BODWGWWSZOQIPO-UHFFFAOYSA-N 1 2 382.556 3.923 20 30 GHEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCC[C@H]1c1ccsc1 ZINC001262939360 1046437128 /nfs/dbraw/zinc/43/71/28/1046437128.db2.gz DDAVFVFPIUNDSK-FHWLQOOXSA-N 1 2 399.564 3.793 20 30 GHEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCC[C@H]1c1ccsc1 ZINC001262939360 1046437136 /nfs/dbraw/zinc/43/71/36/1046437136.db2.gz DDAVFVFPIUNDSK-FHWLQOOXSA-N 1 2 399.564 3.793 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC[C@@H](CC#N)C1 ZINC001262977976 1046463689 /nfs/dbraw/zinc/46/36/89/1046463689.db2.gz TWZKMOVIJZRTFW-ICSRJNTNSA-N 1 2 378.524 3.787 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC[C@@H](CC#N)C1 ZINC001262977976 1046463691 /nfs/dbraw/zinc/46/36/91/1046463691.db2.gz TWZKMOVIJZRTFW-ICSRJNTNSA-N 1 2 378.524 3.787 20 30 GHEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@H]1c1ccc(OC)cc1 ZINC001263287985 1046682605 /nfs/dbraw/zinc/68/26/05/1046682605.db2.gz AJSMADLBGGQHCH-IBGZPJMESA-N 1 2 392.507 3.529 20 30 GHEDLO COc1cccc([C@H]2CN(C(=O)c3ccc(C#Cc4ccccc4)cc3)CC[NH2+]2)c1 ZINC001302003847 1046780499 /nfs/dbraw/zinc/78/04/99/1046780499.db2.gz WQNCZXJCDXVIET-RUZDIDTESA-N 1 2 396.490 3.882 20 30 GHEDLO CC(C)Cn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC[C@@H](C#N)C1 ZINC001263417755 1046799297 /nfs/dbraw/zinc/79/92/97/1046799297.db2.gz MWGJABCHENLHEQ-ICSRJNTNSA-N 1 2 380.540 3.867 20 30 GHEDLO CC(C)Cn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC[C@@H](C#N)C1 ZINC001263417755 1046799310 /nfs/dbraw/zinc/79/93/10/1046799310.db2.gz MWGJABCHENLHEQ-ICSRJNTNSA-N 1 2 380.540 3.867 20 30 GHEDLO C[C@@H](c1nnc(N2CCC[C@H](C#N)C2)n1CC1CC1)[N@H+](C)Cc1ccccc1 ZINC001263755787 1047095373 /nfs/dbraw/zinc/09/53/73/1047095373.db2.gz VOGQCRSWKMZQOV-FXAWDEMLSA-N 1 2 378.524 3.621 20 30 GHEDLO C[C@@H](c1nnc(N2CCC[C@H](C#N)C2)n1CC1CC1)[N@@H+](C)Cc1ccccc1 ZINC001263755787 1047095389 /nfs/dbraw/zinc/09/53/89/1047095389.db2.gz VOGQCRSWKMZQOV-FXAWDEMLSA-N 1 2 378.524 3.621 20 30 GHEDLO N#CCC1CN(C(=O)[C@H]2CCC3(C2)CC[NH+](Cc2csc(Cl)n2)CC3)C1 ZINC001279854437 1047969992 /nfs/dbraw/zinc/96/99/92/1047969992.db2.gz FNQRHNCSPXTSCM-HNNXBMFYSA-N 1 2 392.956 3.551 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(CSc3ccc(C)cc3)n2C/C=C\CC)CC1 ZINC001286484483 1048336323 /nfs/dbraw/zinc/33/63/23/1048336323.db2.gz PAHQYOUUIZZZTF-SREVYHEPSA-N 1 2 395.576 3.600 20 30 GHEDLO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC001307445870 1049282515 /nfs/dbraw/zinc/28/25/15/1049282515.db2.gz MDFYYBSUWLGKJC-OAHLLOKOSA-N 1 2 377.271 3.663 20 30 GHEDLO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC001307445870 1049282531 /nfs/dbraw/zinc/28/25/31/1049282531.db2.gz MDFYYBSUWLGKJC-OAHLLOKOSA-N 1 2 377.271 3.663 20 30 GHEDLO C#CC(C)(C)[N@@H+](C)CC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC001307679944 1049502788 /nfs/dbraw/zinc/50/27/88/1049502788.db2.gz PETDOVHMMNJZNQ-QFIPXVFZSA-N 1 2 389.499 3.717 20 30 GHEDLO C#CC(C)(C)[N@H+](C)CC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC001307679944 1049502797 /nfs/dbraw/zinc/50/27/97/1049502797.db2.gz PETDOVHMMNJZNQ-QFIPXVFZSA-N 1 2 389.499 3.717 20 30 GHEDLO C#CC1(O)CC[NH+](CC(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)CC1 ZINC001307962275 1049724745 /nfs/dbraw/zinc/72/47/45/1049724745.db2.gz RGPBYAWVJQQVLC-UHFFFAOYSA-N 1 2 384.863 3.531 20 30 GHEDLO C#CC[N@@H+](CC(=O)Nc1nc2c(s1)CCCC2)[C@H]1CCCc2ccccc21 ZINC001308103065 1049848255 /nfs/dbraw/zinc/84/82/55/1049848255.db2.gz BIRXIKPRTCJZIF-IBGZPJMESA-N 1 2 379.529 3.973 20 30 GHEDLO C#CC[N@H+](CC(=O)Nc1nc2c(s1)CCCC2)[C@H]1CCCc2ccccc21 ZINC001308103065 1049848260 /nfs/dbraw/zinc/84/82/60/1049848260.db2.gz BIRXIKPRTCJZIF-IBGZPJMESA-N 1 2 379.529 3.973 20 30 GHEDLO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)Nc2cc(C)c(C#N)cn2)CC1 ZINC001311070310 1051823434 /nfs/dbraw/zinc/82/34/34/1051823434.db2.gz LVQRJXDCWUUKRX-LJQANCHMSA-N 1 2 381.455 3.702 20 30 GHEDLO C#CCOCC[N@@H+](C)Cc1nc(=O)c2c([nH]1)sc(C)c2-c1ccc(C)cc1 ZINC001336065922 1052223168 /nfs/dbraw/zinc/22/31/68/1052223168.db2.gz BURAPCDHDBUOSM-UHFFFAOYSA-N 1 2 381.501 3.762 20 30 GHEDLO C#CCOCC[N@H+](C)Cc1nc(=O)c2c([nH]1)sc(C)c2-c1ccc(C)cc1 ZINC001336065922 1052223175 /nfs/dbraw/zinc/22/31/75/1052223175.db2.gz BURAPCDHDBUOSM-UHFFFAOYSA-N 1 2 381.501 3.762 20 30 GHEDLO COc1c(C)c[nH+]c(CNC(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)c1C ZINC001336321670 1052258691 /nfs/dbraw/zinc/25/86/91/1052258691.db2.gz QESWTUBQWXBGPQ-KRWDZBQOSA-N 1 2 392.381 3.682 20 30 GHEDLO C=CCOc1ccccc1CNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001312000087 1052522071 /nfs/dbraw/zinc/52/20/71/1052522071.db2.gz IXPJYDHFNKSJID-FQEVSTJZSA-N 1 2 376.460 3.689 20 30 GHEDLO C#C[C@@H](CC)NC(=O)N1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC001312809077 1052877228 /nfs/dbraw/zinc/87/72/28/1052877228.db2.gz YPWRUEBVWGDGBM-QFIPXVFZSA-N 1 2 391.515 3.505 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC2(CCSCC2)CC1 ZINC001342671508 1053290964 /nfs/dbraw/zinc/29/09/64/1053290964.db2.gz CIZQNZQEGVTMFZ-KRWDZBQOSA-N 1 2 375.586 3.735 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC2(CCSCC2)CC1 ZINC001342671508 1053290976 /nfs/dbraw/zinc/29/09/76/1053290976.db2.gz CIZQNZQEGVTMFZ-KRWDZBQOSA-N 1 2 375.586 3.735 20 30 GHEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CC[C@@H](C)[C@@H]1c1ccccc1 ZINC001343420869 1053761662 /nfs/dbraw/zinc/76/16/62/1053761662.db2.gz VWHDNZQTWZVPSS-DYESRHJHSA-N 1 2 376.508 3.766 20 30 GHEDLO CC(C)[N@@H+]1CCC[C@H]1C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC001343495536 1053810969 /nfs/dbraw/zinc/81/09/69/1053810969.db2.gz PMQRIOPXMKIEFT-GJZGRUSLSA-N 1 2 381.448 3.521 20 30 GHEDLO CC(C)[N@H+]1CCC[C@H]1C(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC001343495536 1053810985 /nfs/dbraw/zinc/81/09/85/1053810985.db2.gz PMQRIOPXMKIEFT-GJZGRUSLSA-N 1 2 381.448 3.521 20 30 GHEDLO CC(C)Cn1c([C@@H]2C[C@@H]2C#N)nnc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001343556179 1053875167 /nfs/dbraw/zinc/87/51/67/1053875167.db2.gz AJRMMAIZOQZLAC-IEBWSBKVSA-N 1 2 398.942 3.537 20 30 GHEDLO Cc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c2ccc(F)cc2n1 ZINC001318461688 1054656011 /nfs/dbraw/zinc/65/60/11/1054656011.db2.gz UHXIRKHIBQFGDI-UHFFFAOYSA-N 1 2 388.446 3.512 20 30 GHEDLO C=CCO[C@@H]1CC[N@H+](CC(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)C1 ZINC001320321618 1055753320 /nfs/dbraw/zinc/75/33/20/1055753320.db2.gz NZXQESHYPNPKBN-CQSZACIVSA-N 1 2 382.489 3.507 20 30 GHEDLO C=CCO[C@@H]1CC[N@@H+](CC(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)C1 ZINC001320321618 1055753334 /nfs/dbraw/zinc/75/33/34/1055753334.db2.gz NZXQESHYPNPKBN-CQSZACIVSA-N 1 2 382.489 3.507 20 30 GHEDLO C=CCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C1 ZINC001320899746 1056005816 /nfs/dbraw/zinc/00/58/16/1056005816.db2.gz WIEPQFPIVYPABH-TZMCWYRMSA-N 1 2 393.459 3.692 20 30 GHEDLO C=CCO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)C1 ZINC001320899746 1056005823 /nfs/dbraw/zinc/00/58/23/1056005823.db2.gz WIEPQFPIVYPABH-TZMCWYRMSA-N 1 2 393.459 3.692 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](CN3CC[C@H](c4ccccc4)C3=O)CC2)c(F)c1 ZINC001321833572 1056412637 /nfs/dbraw/zinc/41/26/37/1056412637.db2.gz MEYVZHAJYMGCLU-HXUWFJFHSA-N 1 2 393.462 3.514 20 30 GHEDLO CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC[N@@H+]2C)n1Cc1ccccc1 ZINC001354331238 1056535156 /nfs/dbraw/zinc/53/51/56/1056535156.db2.gz WTAAMAHKZPNHMY-OAQYLSRUSA-N 1 2 386.503 3.601 20 30 GHEDLO CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC[N@H+]2C)n1Cc1ccccc1 ZINC001354331238 1056535169 /nfs/dbraw/zinc/53/51/69/1056535169.db2.gz WTAAMAHKZPNHMY-OAQYLSRUSA-N 1 2 386.503 3.601 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCC[C@@H]2C)CC1 ZINC001300688220 1056876060 /nfs/dbraw/zinc/87/60/60/1056876060.db2.gz CLEYUCCQULVLKZ-PKOBYXMFSA-N 1 2 397.954 3.790 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(CC(C)(C)C)n2CC(CC)(CC)SC)CC1 ZINC001300701004 1056913183 /nfs/dbraw/zinc/91/31/83/1056913183.db2.gz ZQOMTIFGXASCOI-UHFFFAOYSA-N 1 2 391.629 3.544 20 30 GHEDLO N#Cc1ccc(OCC(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1Br ZINC001355472888 1057174781 /nfs/dbraw/zinc/17/47/81/1057174781.db2.gz ISDFLDPKRXHSMB-UHFFFAOYSA-N 1 2 397.232 3.524 20 30 GHEDLO Cn1c([C@@H]2CCCC[N@@H+]2Cc2ccccc2)nnc1N1CCC[C@H](CC#N)C1 ZINC001355552887 1057210498 /nfs/dbraw/zinc/21/04/98/1057210498.db2.gz ISYYWSGJHCBBBV-UXHICEINSA-N 1 2 378.524 3.672 20 30 GHEDLO Cn1c([C@@H]2CCCC[N@H+]2Cc2ccccc2)nnc1N1CCC[C@H](CC#N)C1 ZINC001355552887 1057210503 /nfs/dbraw/zinc/21/05/03/1057210503.db2.gz ISYYWSGJHCBBBV-UXHICEINSA-N 1 2 378.524 3.672 20 30 GHEDLO N#CCc1ccccc1CC(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1 ZINC001324966664 1057255394 /nfs/dbraw/zinc/25/53/94/1057255394.db2.gz GCSSDBWMWIYPHQ-UHFFFAOYSA-N 1 2 387.487 3.796 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC[C@@H](COC)C1 ZINC001356200508 1057426089 /nfs/dbraw/zinc/42/60/89/1057426089.db2.gz STPBVWBKRXKCHR-PZJWPPBQSA-N 1 2 397.567 3.910 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC[C@@H](COC)C1 ZINC001356200508 1057426093 /nfs/dbraw/zinc/42/60/93/1057426093.db2.gz STPBVWBKRXKCHR-PZJWPPBQSA-N 1 2 397.567 3.910 20 30 GHEDLO N#Cc1cccc2c1CCCN2C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC001326332780 1057458150 /nfs/dbraw/zinc/45/81/50/1057458150.db2.gz IXIPKGGKPWRHKL-NRFANRHFSA-N 1 2 377.513 3.628 20 30 GHEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCC[C@H]2CCC[C@H]21 ZINC001357145234 1057616275 /nfs/dbraw/zinc/61/62/75/1057616275.db2.gz URELIPQFGDWQCX-WTGUMLROSA-N 1 2 385.556 3.549 20 30 GHEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCC[C@H]2CCC[C@H]21 ZINC001357145234 1057616283 /nfs/dbraw/zinc/61/62/83/1057616283.db2.gz URELIPQFGDWQCX-WTGUMLROSA-N 1 2 385.556 3.549 20 30 GHEDLO N#Cc1cc(C(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)co1 ZINC001357204535 1057633952 /nfs/dbraw/zinc/63/39/52/1057633952.db2.gz ZNEMFSGAPVZYRN-LJQANCHMSA-N 1 2 377.469 3.742 20 30 GHEDLO N#Cc1cc(C(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)co1 ZINC001357204535 1057633956 /nfs/dbraw/zinc/63/39/56/1057633956.db2.gz ZNEMFSGAPVZYRN-LJQANCHMSA-N 1 2 377.469 3.742 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@H](c2ccccc2OC)C1 ZINC001338895395 1058864117 /nfs/dbraw/zinc/86/41/17/1058864117.db2.gz IOHDFCSVNUCTEU-MJGOQNOKSA-N 1 2 381.524 3.623 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@@H](c2ccccc2OC)C1 ZINC001338895395 1058864130 /nfs/dbraw/zinc/86/41/30/1058864130.db2.gz IOHDFCSVNUCTEU-MJGOQNOKSA-N 1 2 381.524 3.623 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@H]1c1c(C)cccc1C ZINC001339210823 1059013724 /nfs/dbraw/zinc/01/37/24/1059013724.db2.gz MQQVIZWPVGYUOX-SFHVURJKSA-N 1 2 376.508 3.747 20 30 GHEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC001339566458 1059305432 /nfs/dbraw/zinc/30/54/32/1059305432.db2.gz GFLXMODNKSKXFC-GOSISDBHSA-N 1 2 397.571 3.681 20 30 GHEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC[C@@H](c2cc(C(C)C)n[nH]2)C1 ZINC001339566458 1059305447 /nfs/dbraw/zinc/30/54/47/1059305447.db2.gz GFLXMODNKSKXFC-GOSISDBHSA-N 1 2 397.571 3.681 20 30 GHEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@H]1/C=C\c1ccccc1 ZINC001339630477 1059357627 /nfs/dbraw/zinc/35/76/27/1059357627.db2.gz ZAKSRSMZESBYEJ-XPTLAUCJSA-N 1 2 390.535 3.590 20 30 GHEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@]2(CC2(F)F)C1 ZINC001339775817 1059461189 /nfs/dbraw/zinc/46/11/89/1059461189.db2.gz ZVMLOKMDEFRVGL-UZLBHIALSA-N 1 2 387.478 3.893 20 30 GHEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@]2(CC2(F)F)C1 ZINC001339775817 1059461201 /nfs/dbraw/zinc/46/12/01/1059461201.db2.gz ZVMLOKMDEFRVGL-UZLBHIALSA-N 1 2 387.478 3.893 20 30 GHEDLO C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CCC(OC2CCCCC2)CC1 ZINC001341751122 1060860703 /nfs/dbraw/zinc/86/07/03/1060860703.db2.gz XKWKMCHWWIXIJJ-UHFFFAOYSA-N 1 2 387.572 3.768 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC[C@H](CC#N)C1 ZINC001342032611 1061008114 /nfs/dbraw/zinc/00/81/14/1061008114.db2.gz GYVCZJQNDUZUPO-RTBURBONSA-N 1 2 381.528 3.816 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N(C)[C@@H]1CCC[C@H]1C#N ZINC001342035399 1061011097 /nfs/dbraw/zinc/01/10/97/1061011097.db2.gz MYEZOUOUFZUWMN-IPMKNSEASA-N 1 2 381.528 3.815 20 30 GHEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C ZINC001345994724 1061271050 /nfs/dbraw/zinc/27/10/50/1061271050.db2.gz VGORZKDJFDCSFJ-CQSZACIVSA-N 1 2 398.461 3.580 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CCO[C@@H](c2ccccc2C)C1 ZINC001346188333 1061436961 /nfs/dbraw/zinc/43/69/61/1061436961.db2.gz XUGANQSFZCCSMO-WOJBJXKFSA-N 1 2 381.524 3.507 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CCO[C@@H](c2ccccc2C)C1 ZINC001346188333 1061436970 /nfs/dbraw/zinc/43/69/70/1061436970.db2.gz XUGANQSFZCCSMO-WOJBJXKFSA-N 1 2 381.524 3.507 20 30 GHEDLO Cc1cn2c([nH+]1)[C@H](Cn1c(CC3CCCC3)nnc1N(C)[C@@H](C)CC#N)CCC2 ZINC001492628456 1061830362 /nfs/dbraw/zinc/83/03/62/1061830362.db2.gz GFDXKQYFVUJPJW-HKUYNNGSSA-N 1 2 395.555 3.832 20 30 GHEDLO C#CCN(CC1CC1)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC001347408563 1062363272 /nfs/dbraw/zinc/36/32/72/1062363272.db2.gz OFCXKULBUSJCOJ-SFHVURJKSA-N 1 2 377.891 3.671 20 30 GHEDLO CC1(C)CN(c2ncc(C#N)cc2Br)CC[N@@H+]1Cc1ccccc1 ZINC001458165067 1063620807 /nfs/dbraw/zinc/62/08/07/1063620807.db2.gz ZVAPSKBSVMVWGR-UHFFFAOYSA-N 1 2 385.309 3.817 20 30 GHEDLO CC1(C)CN(c2ncc(C#N)cc2Br)CC[N@H+]1Cc1ccccc1 ZINC001458165067 1063620828 /nfs/dbraw/zinc/62/08/28/1063620828.db2.gz ZVAPSKBSVMVWGR-UHFFFAOYSA-N 1 2 385.309 3.817 20 30 GHEDLO N#C[C@H](NC(=O)c1cc(-n2cc[nH+]c2)ccc1O)c1ccc(Cl)c(Cl)c1 ZINC001464922130 1065274352 /nfs/dbraw/zinc/27/43/52/1065274352.db2.gz BMFMUWRSOABGAS-INIZCTEOSA-N 1 2 387.226 3.879 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCCCC(F)(F)C2)CC1 ZINC001359029196 1067659488 /nfs/dbraw/zinc/65/94/88/1067659488.db2.gz RCANIBUJSXOVDX-QGZVFWFLSA-N 1 2 393.526 3.546 20 30 GHEDLO C=C1CCN(c2nnc(-c3ccc(C)o3)n2CCCNc2cccc[nH+]2)CC1 ZINC001359161737 1067717503 /nfs/dbraw/zinc/71/75/03/1067717503.db2.gz OVPATVZRBRZXBJ-UHFFFAOYSA-N 1 2 378.480 3.900 20 30 GHEDLO CC(C)C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)NC[C@H](C)C#N ZINC001478412223 1078857085 /nfs/dbraw/zinc/85/70/85/1078857085.db2.gz HPFITTGHBVYJFA-APWZRJJASA-N 1 2 376.932 3.742 20 30 GHEDLO CC(C)C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)NC[C@H](C)C#N ZINC001478412223 1078857089 /nfs/dbraw/zinc/85/70/89/1078857089.db2.gz HPFITTGHBVYJFA-APWZRJJASA-N 1 2 376.932 3.742 20 30 GHEDLO C[N@H+](Cc1cc(C#N)cs1)[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC001460845040 1069215323 /nfs/dbraw/zinc/21/53/23/1069215323.db2.gz AIKDNDAFMWUNRF-QGZVFWFLSA-N 1 2 391.443 3.849 20 30 GHEDLO C[N@@H+](Cc1cc(C#N)cs1)[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC001460845040 1069215336 /nfs/dbraw/zinc/21/53/36/1069215336.db2.gz AIKDNDAFMWUNRF-QGZVFWFLSA-N 1 2 391.443 3.849 20 30 GHEDLO CC(C)[C@@H]1CCC[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC001478487437 1078888891 /nfs/dbraw/zinc/88/88/91/1078888891.db2.gz USQSQUXNLLJLIZ-FGZHOGPDSA-N 1 2 382.552 3.990 20 30 GHEDLO COc1ccccc1[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CCO1 ZINC001473724504 1074108867 /nfs/dbraw/zinc/10/88/67/1074108867.db2.gz TWSDYFKVZIDCBB-FQEVSTJZSA-N 1 2 399.878 3.622 20 30 GHEDLO COc1ccccc1[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CCO1 ZINC001473724504 1074108875 /nfs/dbraw/zinc/10/88/75/1074108875.db2.gz TWSDYFKVZIDCBB-FQEVSTJZSA-N 1 2 399.878 3.622 20 30 GHEDLO C=CC[N@@H+](Cc1cc(C(=O)OC)n(C)c1)Cc1cc(Br)ccc1F ZINC001474311261 1074334822 /nfs/dbraw/zinc/33/48/22/1074334822.db2.gz VEEMMINKLUWCMI-UHFFFAOYSA-N 1 2 395.272 3.902 20 30 GHEDLO C=CC[N@H+](Cc1cc(C(=O)OC)n(C)c1)Cc1cc(Br)ccc1F ZINC001474311261 1074334832 /nfs/dbraw/zinc/33/48/32/1074334832.db2.gz VEEMMINKLUWCMI-UHFFFAOYSA-N 1 2 395.272 3.902 20 30 GHEDLO Fc1c(C[NH+]2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cccc1-c1nn[nH]n1 ZINC000826370288 608388882 /nfs/dbraw/zinc/38/88/82/608388882.db2.gz LWCPJQJCUDZYAE-NXEZZACHSA-N 1 2 397.298 3.569 20 30 GHEDLO Cc1ccc(-c2csc3ncnc(SC[C@H](O)C[N@H+](C)CCC#N)c23)cc1 ZINC000414100734 837527688 /nfs/dbraw/zinc/52/76/88/837527688.db2.gz SLPUQWLRFRSMOV-MRXNPFEDSA-N 1 2 398.557 3.965 20 30 GHEDLO Cc1ccc(-c2csc3ncnc(SC[C@H](O)C[N@@H+](C)CCC#N)c23)cc1 ZINC000414100734 837527694 /nfs/dbraw/zinc/52/76/94/837527694.db2.gz SLPUQWLRFRSMOV-MRXNPFEDSA-N 1 2 398.557 3.965 20 30 GHEDLO C[C@H](CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1)n1cc[nH+]c1 ZINC000581551681 837539379 /nfs/dbraw/zinc/53/93/79/837539379.db2.gz VYRWSNYKLKQOOG-OAHLLOKOSA-N 1 2 376.464 3.828 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1 ZINC000583534167 834587569 /nfs/dbraw/zinc/58/75/69/834587569.db2.gz APRTWYLCNLVBOF-MJGOQNOKSA-N 1 2 399.926 3.736 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1 ZINC000583534167 834587579 /nfs/dbraw/zinc/58/75/79/834587579.db2.gz APRTWYLCNLVBOF-MJGOQNOKSA-N 1 2 399.926 3.736 20 30 GHEDLO COC(=O)c1cccc(C[N@@H+](Cc2ccc(OC)cc2OC)CC2CC2)c1C#N ZINC000558629709 834774243 /nfs/dbraw/zinc/77/42/43/834774243.db2.gz QIJBSFONCQXAHK-UHFFFAOYSA-N 1 2 394.471 3.774 20 30 GHEDLO COC(=O)c1cccc(C[N@H+](Cc2ccc(OC)cc2OC)CC2CC2)c1C#N ZINC000558629709 834774251 /nfs/dbraw/zinc/77/42/51/834774251.db2.gz QIJBSFONCQXAHK-UHFFFAOYSA-N 1 2 394.471 3.774 20 30 GHEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000047028480 834950260 /nfs/dbraw/zinc/95/02/60/834950260.db2.gz VSRXZHKLSWRQSI-QGZVFWFLSA-N 1 2 389.459 3.738 20 30 GHEDLO C=CCn1c(-c2ccco2)nn(CN2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1=S ZINC000246814875 835030884 /nfs/dbraw/zinc/03/08/84/835030884.db2.gz YVHRCIYCQPXRMD-HZPDHXFCSA-N 1 2 384.509 3.597 20 30 GHEDLO C=CCOc1ccc(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)cc1 ZINC000500813940 844036716 /nfs/dbraw/zinc/03/67/16/844036716.db2.gz IMQJZZMLGDZQAW-FQEVSTJZSA-N 1 2 377.444 3.875 20 30 GHEDLO C=CCOc1ccc(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)cc1 ZINC000500813940 844036723 /nfs/dbraw/zinc/03/67/23/844036723.db2.gz IMQJZZMLGDZQAW-FQEVSTJZSA-N 1 2 377.444 3.875 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000157639331 835303218 /nfs/dbraw/zinc/30/32/18/835303218.db2.gz LVLVRARMFBGWTM-QAPCUYQASA-N 1 2 379.435 3.619 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000157639331 835303224 /nfs/dbraw/zinc/30/32/24/835303224.db2.gz LVLVRARMFBGWTM-QAPCUYQASA-N 1 2 379.435 3.619 20 30 GHEDLO C=CCn1c(CCC2CCCCC2)nnc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000548851914 835309092 /nfs/dbraw/zinc/30/90/92/835309092.db2.gz OHQXVUCPZGPTPE-UHFFFAOYSA-N 1 2 394.567 3.694 20 30 GHEDLO C[C@H](C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)[NH+]1CCSCC1 ZINC000179035362 835519922 /nfs/dbraw/zinc/51/99/22/835519922.db2.gz ITDVYMVGZXKGOL-MRXNPFEDSA-N 1 2 381.501 3.513 20 30 GHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H]1CCN(c2ccccc2OC)C1=O ZINC000512532672 844087861 /nfs/dbraw/zinc/08/78/61/844087861.db2.gz UAJCTUHUDHLKHY-FQEVSTJZSA-N 1 2 382.508 3.656 20 30 GHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H]1CCN(c2ccccc2OC)C1=O ZINC000512532672 844087867 /nfs/dbraw/zinc/08/78/67/844087867.db2.gz UAJCTUHUDHLKHY-FQEVSTJZSA-N 1 2 382.508 3.656 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)c2cccc(F)c2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000187225096 836239949 /nfs/dbraw/zinc/23/99/49/836239949.db2.gz RJMOOXPODJTZQF-ROUUACIJSA-N 1 2 375.806 3.665 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)c2cccc(F)c2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000187225096 836239960 /nfs/dbraw/zinc/23/99/60/836239960.db2.gz RJMOOXPODJTZQF-ROUUACIJSA-N 1 2 375.806 3.665 20 30 GHEDLO N#Cc1ccccc1OCc1cccc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000120869775 836898076 /nfs/dbraw/zinc/89/80/76/836898076.db2.gz NMJKTDJCYJKMDC-JOCHJYFZSA-N 1 2 399.450 3.826 20 30 GHEDLO COc1cccc([C@@H]2C[N@H+](Cc3cn(C)nc3-c3ccc(C#N)cc3)CCO2)c1 ZINC000180072359 837067873 /nfs/dbraw/zinc/06/78/73/837067873.db2.gz HCZMODXJFZNXAU-QFIPXVFZSA-N 1 2 388.471 3.541 20 30 GHEDLO COc1cccc([C@@H]2C[N@@H+](Cc3cn(C)nc3-c3ccc(C#N)cc3)CCO2)c1 ZINC000180072359 837067880 /nfs/dbraw/zinc/06/78/80/837067880.db2.gz HCZMODXJFZNXAU-QFIPXVFZSA-N 1 2 388.471 3.541 20 30 GHEDLO C[N@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)Nc1cccc(C#N)c1)CC2 ZINC000275474766 837108641 /nfs/dbraw/zinc/10/86/41/837108641.db2.gz AQMKZTLXPJBPSD-QGZVFWFLSA-N 1 2 381.505 3.533 20 30 GHEDLO C[N@@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)Nc1cccc(C#N)c1)CC2 ZINC000275474766 837108654 /nfs/dbraw/zinc/10/86/54/837108654.db2.gz AQMKZTLXPJBPSD-QGZVFWFLSA-N 1 2 381.505 3.533 20 30 GHEDLO C[N@H+](Cc1csc(Br)c1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000177022552 837840816 /nfs/dbraw/zinc/84/08/16/837840816.db2.gz PXIYDPAUARLJGH-LBPRGKRZSA-N 1 2 396.335 3.681 20 30 GHEDLO C[N@@H+](Cc1csc(Br)c1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000177022552 837840828 /nfs/dbraw/zinc/84/08/28/837840828.db2.gz PXIYDPAUARLJGH-LBPRGKRZSA-N 1 2 396.335 3.681 20 30 GHEDLO C[C@H]1CN(C)c2ccccc2C[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000177391952 837936283 /nfs/dbraw/zinc/93/62/83/837936283.db2.gz HYFUDKZEZGFSJI-INIZCTEOSA-N 1 2 380.517 3.581 20 30 GHEDLO C[C@H]1CN(C)c2ccccc2C[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000177391952 837936286 /nfs/dbraw/zinc/93/62/86/837936286.db2.gz HYFUDKZEZGFSJI-INIZCTEOSA-N 1 2 380.517 3.581 20 30 GHEDLO CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C\c2c[nH+]c3c(C)cccn23)cc1 ZINC000255119630 838111270 /nfs/dbraw/zinc/11/12/70/838111270.db2.gz ZPGKPPVDTJLWLM-RAXLEYEMSA-N 1 2 397.500 3.569 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)c(O)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000189124920 838200196 /nfs/dbraw/zinc/20/01/96/838200196.db2.gz VWSLGVUKYHOEEL-HKUYNNGSSA-N 1 2 387.842 3.622 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)c(O)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000189124920 838200208 /nfs/dbraw/zinc/20/02/08/838200208.db2.gz VWSLGVUKYHOEEL-HKUYNNGSSA-N 1 2 387.842 3.622 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H](CC3CC3)c3ccccc3)CC2)cc1 ZINC000610405036 839092457 /nfs/dbraw/zinc/09/24/57/839092457.db2.gz JODGODUXOYKRQD-QHCPKHFHSA-N 1 2 388.515 3.927 20 30 GHEDLO Cn1cc[nH+]c1C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1ccccc1 ZINC000610405982 839116820 /nfs/dbraw/zinc/11/68/20/839116820.db2.gz NIQWINBCEDTBDZ-QFIPXVFZSA-N 1 2 399.498 3.950 20 30 GHEDLO N#Cc1ccccc1Oc1ccccc1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000378488534 839202993 /nfs/dbraw/zinc/20/29/93/839202993.db2.gz NZEQNEJTYPGHHM-UHFFFAOYSA-N 1 2 386.455 3.856 20 30 GHEDLO N#Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccn3)cn2)c1 ZINC000610423935 839276028 /nfs/dbraw/zinc/27/60/28/839276028.db2.gz JZERERNJTDJBHD-NRFANRHFSA-N 1 2 399.454 3.744 20 30 GHEDLO N#Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccccn3)cn2)c1 ZINC000610423935 839276039 /nfs/dbraw/zinc/27/60/39/839276039.db2.gz JZERERNJTDJBHD-NRFANRHFSA-N 1 2 399.454 3.744 20 30 GHEDLO Cc1cc(C#N)nc(NCC2([NH+](Cc3ccccc3)Cc3ccccc3)COC2)n1 ZINC000706623812 839856701 /nfs/dbraw/zinc/85/67/01/839856701.db2.gz VTEPBIMVLCGZNT-UHFFFAOYSA-N 1 2 399.498 3.540 20 30 GHEDLO COc1cc(C[NH+]2CCN(CC#N)CC2)ccc1OCc1ccc(Cl)cc1 ZINC000513118273 844515133 /nfs/dbraw/zinc/51/51/33/844515133.db2.gz YVORDDMXBOIZLQ-UHFFFAOYSA-N 1 2 385.895 3.569 20 30 GHEDLO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](C[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000759865762 840263179 /nfs/dbraw/zinc/26/31/79/840263179.db2.gz MUHIFJMBICPERL-PMACEKPBSA-N 1 2 391.849 3.534 20 30 GHEDLO C=CC[N@H+](CC(=O)Nc1ccc(Br)cc1Cl)[C@@H](C)COC ZINC000661243310 841561883 /nfs/dbraw/zinc/56/18/83/841561883.db2.gz JANCNOKBOPYRTH-NSHDSACASA-N 1 2 375.694 3.564 20 30 GHEDLO C=CC[N@@H+](CC(=O)Nc1ccc(Br)cc1Cl)[C@@H](C)COC ZINC000661243310 841561893 /nfs/dbraw/zinc/56/18/93/841561893.db2.gz JANCNOKBOPYRTH-NSHDSACASA-N 1 2 375.694 3.564 20 30 GHEDLO COc1cc(C#N)ccc1OCCCC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000046105950 841959926 /nfs/dbraw/zinc/95/99/26/841959926.db2.gz BOBJZMIIOMMQAE-UHFFFAOYSA-N 1 2 376.416 3.550 20 30 GHEDLO C[C@@H](CS(C)(=O)=O)[N@H+](Cc1cccc(OCc2ccccc2C#N)c1)C1CC1 ZINC000093392989 842075608 /nfs/dbraw/zinc/07/56/08/842075608.db2.gz CRNRPTLYGPRYHD-KRWDZBQOSA-N 1 2 398.528 3.535 20 30 GHEDLO C[C@@H](CS(C)(=O)=O)[N@@H+](Cc1cccc(OCc2ccccc2C#N)c1)C1CC1 ZINC000093392989 842075612 /nfs/dbraw/zinc/07/56/12/842075612.db2.gz CRNRPTLYGPRYHD-KRWDZBQOSA-N 1 2 398.528 3.535 20 30 GHEDLO C#Cc1ccc(C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)cn1 ZINC000728842945 842866479 /nfs/dbraw/zinc/86/64/79/842866479.db2.gz YEOYEMCEJFWSEU-UHFFFAOYSA-N 1 2 392.462 3.905 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000603903106 861360417 /nfs/dbraw/zinc/36/04/17/861360417.db2.gz PGNNNKVDXJPBGY-GJZGRUSLSA-N 1 2 397.548 3.818 20 30 GHEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000603903106 861360458 /nfs/dbraw/zinc/36/04/58/861360458.db2.gz PGNNNKVDXJPBGY-GJZGRUSLSA-N 1 2 397.548 3.818 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCOc3ccccc3C2)c1 ZINC000603909146 861376839 /nfs/dbraw/zinc/37/68/39/861376839.db2.gz MFOFLOHPTWQLAA-LJQANCHMSA-N 1 2 377.488 3.833 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCOc3ccccc3C2)c1 ZINC000603909146 861376850 /nfs/dbraw/zinc/37/68/50/861376850.db2.gz MFOFLOHPTWQLAA-LJQANCHMSA-N 1 2 377.488 3.833 20 30 GHEDLO CC(C)C[C@@H](C(=O)N[C@@H](C#N)c1ccccc1Br)n1cc[nH+]c1 ZINC000602099279 843083703 /nfs/dbraw/zinc/08/37/03/843083703.db2.gz ZEBKOXWOKQIUKP-HOTGVXAUSA-N 1 2 375.270 3.614 20 30 GHEDLO C=CCOc1ccc(C[NH+]2CCN(C(=O)CCc3ccc(OC)cc3)CC2)cc1 ZINC000512243127 843194697 /nfs/dbraw/zinc/19/46/97/843194697.db2.gz JFEUOMCAQLALRF-UHFFFAOYSA-N 1 2 394.515 3.537 20 30 GHEDLO Cc1ccccc1C(N)=[NH+]OCC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000731030411 861402826 /nfs/dbraw/zinc/40/28/26/861402826.db2.gz PNYLEPOERHJFRX-HNNXBMFYSA-N 1 2 382.489 3.875 20 30 GHEDLO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCc3cc(Cl)cc(Cl)c3C2)cc1 ZINC000610648597 843356285 /nfs/dbraw/zinc/35/62/85/843356285.db2.gz UROKXKBBWAPKMB-KRWDZBQOSA-N 1 2 391.298 3.857 20 30 GHEDLO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCc3cc(Cl)cc(Cl)c3C2)cc1 ZINC000610648597 843356294 /nfs/dbraw/zinc/35/62/94/843356294.db2.gz UROKXKBBWAPKMB-KRWDZBQOSA-N 1 2 391.298 3.857 20 30 GHEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccc(C)cc2)C1 ZINC000067401433 843390060 /nfs/dbraw/zinc/39/00/60/843390060.db2.gz GPYNVFFOWBRFGZ-KRWDZBQOSA-N 1 2 392.503 3.688 20 30 GHEDLO C=CCNC(=O)[C@H](C)[N@H+]1CCc2c(cccc2NC(=O)Nc2ccc(C)cc2)C1 ZINC000067401433 843390073 /nfs/dbraw/zinc/39/00/73/843390073.db2.gz GPYNVFFOWBRFGZ-KRWDZBQOSA-N 1 2 392.503 3.688 20 30 GHEDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2cncc(-c3ccccc3)n2)CC1 ZINC000329449318 861444105 /nfs/dbraw/zinc/44/41/05/861444105.db2.gz LHLHYSTXGBCGQA-QGZVFWFLSA-N 1 2 379.508 3.553 20 30 GHEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000512431732 843768798 /nfs/dbraw/zinc/76/87/98/843768798.db2.gz AKSQMGGQIYJACL-UHFFFAOYSA-N 1 2 394.482 3.614 20 30 GHEDLO Cc1nccc([C@H]2CCC[N@@H+](CC(=O)/C=C3\N(C)c4ccccc4C3(C)C)C2)n1 ZINC000728916872 843947891 /nfs/dbraw/zinc/94/78/91/843947891.db2.gz RPDVLBRPEUNKTP-PVFDWLMNSA-N 1 2 390.531 3.845 20 30 GHEDLO Cc1nccc([C@H]2CCC[N@H+](CC(=O)/C=C3\N(C)c4ccccc4C3(C)C)C2)n1 ZINC000728916872 843947893 /nfs/dbraw/zinc/94/78/93/843947893.db2.gz RPDVLBRPEUNKTP-PVFDWLMNSA-N 1 2 390.531 3.845 20 30 GHEDLO C#CCOc1ccc(NC(=O)N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)cc1 ZINC000731113453 861474419 /nfs/dbraw/zinc/47/44/19/861474419.db2.gz XVKQODPBZRZNBZ-GOSISDBHSA-N 1 2 393.487 3.618 20 30 GHEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000512481244 843966296 /nfs/dbraw/zinc/96/62/96/843966296.db2.gz SXQZHEMKEPWYPG-FNORWQNLSA-N 1 2 399.454 3.850 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(OC2CCC2)CC1 ZINC000419310093 843979058 /nfs/dbraw/zinc/97/90/58/843979058.db2.gz XFIWFSJZPRFRFS-MRXNPFEDSA-N 1 2 387.549 3.910 20 30 GHEDLO Cc1nnc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)C2)[nH]1 ZINC000329472364 861495037 /nfs/dbraw/zinc/49/50/37/861495037.db2.gz OHCGRYMUNIWTNU-AAEUAGOBSA-N 1 2 381.402 3.988 20 30 GHEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000432957994 844740002 /nfs/dbraw/zinc/74/00/02/844740002.db2.gz DJVCNJFWSWTTAG-KPRXVCGWSA-N 1 2 393.535 3.623 20 30 GHEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000432957994 844740006 /nfs/dbraw/zinc/74/00/06/844740006.db2.gz DJVCNJFWSWTTAG-KPRXVCGWSA-N 1 2 393.535 3.623 20 30 GHEDLO Cc1nnc([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)C2)[nH]1 ZINC000329472364 861495045 /nfs/dbraw/zinc/49/50/45/861495045.db2.gz OHCGRYMUNIWTNU-AAEUAGOBSA-N 1 2 381.402 3.988 20 30 GHEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000329503005 861554818 /nfs/dbraw/zinc/55/48/18/861554818.db2.gz YXUSJDZMILEFBA-DOTOQJQBSA-N 1 2 379.460 3.927 20 30 GHEDLO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC[C@H]1C ZINC000467291477 846241080 /nfs/dbraw/zinc/24/10/80/846241080.db2.gz NRKFXIHGWKGRBV-JKIFEVAISA-N 1 2 375.538 3.572 20 30 GHEDLO CO[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC[C@H]1C ZINC000467291477 846241087 /nfs/dbraw/zinc/24/10/87/846241087.db2.gz NRKFXIHGWKGRBV-JKIFEVAISA-N 1 2 375.538 3.572 20 30 GHEDLO Cc1nc2ccccc2n1C1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000280133557 846301846 /nfs/dbraw/zinc/30/18/46/846301846.db2.gz BFUBHDYDCJQJSI-UHFFFAOYSA-N 1 2 379.489 3.554 20 30 GHEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000246650959 846387379 /nfs/dbraw/zinc/38/73/79/846387379.db2.gz KFAUKYGPGOIEEJ-HZPDHXFCSA-N 1 2 375.900 3.524 20 30 GHEDLO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000246650959 846387394 /nfs/dbraw/zinc/38/73/94/846387394.db2.gz KFAUKYGPGOIEEJ-HZPDHXFCSA-N 1 2 375.900 3.524 20 30 GHEDLO CC(C)(C)c1ccc(OCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000015742183 846762276 /nfs/dbraw/zinc/76/22/76/846762276.db2.gz YXLGAQZPQOIPKY-UHFFFAOYSA-N 1 2 391.515 3.579 20 30 GHEDLO C=CCc1ccc(OCC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c(OC)c1 ZINC000501272950 846792353 /nfs/dbraw/zinc/79/23/53/846792353.db2.gz KKXRDUPQFSJJHX-UHFFFAOYSA-N 1 2 395.503 3.504 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCC=C(c2ccco2)C1 ZINC000511107076 847015233 /nfs/dbraw/zinc/01/52/33/847015233.db2.gz NNVPSPQGVQGEIB-KRWDZBQOSA-N 1 2 379.460 3.713 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCC=C(c2ccco2)C1 ZINC000511107076 847015241 /nfs/dbraw/zinc/01/52/41/847015241.db2.gz NNVPSPQGVQGEIB-KRWDZBQOSA-N 1 2 379.460 3.713 20 30 GHEDLO CC[N@H+](CC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)Cc1ccccc1Cl ZINC000503227987 847495029 /nfs/dbraw/zinc/49/50/29/847495029.db2.gz YCXHKFZWLUONOJ-OAQYLSRUSA-N 1 2 397.906 3.634 20 30 GHEDLO CC[N@@H+](CC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)Cc1ccccc1Cl ZINC000503227987 847495031 /nfs/dbraw/zinc/49/50/31/847495031.db2.gz YCXHKFZWLUONOJ-OAQYLSRUSA-N 1 2 397.906 3.634 20 30 GHEDLO C[C@@H](c1cccc(NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)c1)[NH+]1CCOCC1 ZINC000511180513 848019148 /nfs/dbraw/zinc/01/91/48/848019148.db2.gz BBVHIDIFOWBQKH-INIZCTEOSA-N 1 2 393.462 3.761 20 30 GHEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001168743528 861893562 /nfs/dbraw/zinc/89/35/62/861893562.db2.gz OUOATBIYYQXUSG-LJQANCHMSA-N 1 2 383.879 3.542 20 30 GHEDLO C[N@H+](CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)Cc1ccc(C#N)cc1 ZINC000046530416 848412825 /nfs/dbraw/zinc/41/28/25/848412825.db2.gz UMGLINSLRUZMKB-UHFFFAOYSA-N 1 2 385.471 3.692 20 30 GHEDLO C[N@@H+](CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)Cc1ccc(C#N)cc1 ZINC000046530416 848412831 /nfs/dbraw/zinc/41/28/31/848412831.db2.gz UMGLINSLRUZMKB-UHFFFAOYSA-N 1 2 385.471 3.692 20 30 GHEDLO C=CCNC(=O)[C@@H](C)Sc1nnc([C@H](C)[NH+]2CCCCC2)n1-c1ccccc1 ZINC000025744069 861916638 /nfs/dbraw/zinc/91/66/38/861916638.db2.gz MCWHMHGOSLHMGU-DLBZAZTESA-N 1 2 399.564 3.597 20 30 GHEDLO C#Cc1cccc(NC(=S)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)c1 ZINC000731943963 861966817 /nfs/dbraw/zinc/96/68/17/861966817.db2.gz PMXGHNSFAHPLCG-KRWDZBQOSA-N 1 2 385.483 3.897 20 30 GHEDLO C#Cc1cccc(NC(=S)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)c1 ZINC000731943963 861966825 /nfs/dbraw/zinc/96/68/25/861966825.db2.gz PMXGHNSFAHPLCG-KRWDZBQOSA-N 1 2 385.483 3.897 20 30 GHEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC000451922969 848995721 /nfs/dbraw/zinc/99/57/21/848995721.db2.gz MBNQUANREIBCRL-UHFFFAOYSA-N 1 2 375.444 3.791 20 30 GHEDLO CCN(C([O-])=[NH+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)[C@H]1CCOC(C)(C)C1 ZINC000329675548 862008199 /nfs/dbraw/zinc/00/81/99/862008199.db2.gz ULLOVOOMXFXUGO-CVEARBPZSA-N 1 2 376.545 3.689 20 30 GHEDLO COc1cccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)c1OC(C)C ZINC000434988351 849974426 /nfs/dbraw/zinc/97/44/26/849974426.db2.gz RHAVPPIUUBRPAJ-OAQYLSRUSA-N 1 2 379.504 3.865 20 30 GHEDLO CC(C)(C)c1ncc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)cn1 ZINC000518804191 850149884 /nfs/dbraw/zinc/14/98/84/850149884.db2.gz OPYSUUKVIMHRFV-UHFFFAOYSA-N 1 2 386.503 3.516 20 30 GHEDLO C=CCc1cccc(C(C)C)c1NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000487315827 850687268 /nfs/dbraw/zinc/68/72/68/850687268.db2.gz YZGPSTNBHMHURL-FQEVSTJZSA-N 1 2 396.535 3.974 20 30 GHEDLO C=CCc1cccc(C(C)C)c1NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000487315827 850687278 /nfs/dbraw/zinc/68/72/78/850687278.db2.gz YZGPSTNBHMHURL-FQEVSTJZSA-N 1 2 396.535 3.974 20 30 GHEDLO CC(C)[C@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000505210853 850722760 /nfs/dbraw/zinc/72/27/60/850722760.db2.gz OZBMFFACMMWGIW-QHCPKHFHSA-N 1 2 390.531 3.825 20 30 GHEDLO CC(C)(C)c1[nH]c2ccc(NS(=O)(=O)Cc3ccc(CC#N)cc3)cc2[nH+]1 ZINC000515176656 850757594 /nfs/dbraw/zinc/75/75/94/850757594.db2.gz ZUHLUJOSAWPMQI-UHFFFAOYSA-N 1 2 382.489 3.868 20 30 GHEDLO Cc1ccc([C@@H]([NH2+]CC#Cc2ccccc2Cl)[C@@H](C)S(C)(=O)=O)cc1 ZINC000435907920 850976649 /nfs/dbraw/zinc/97/66/49/850976649.db2.gz MHYHVMXNBYCBSY-UZLBHIALSA-N 1 2 375.921 3.764 20 30 GHEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000425422673 851023948 /nfs/dbraw/zinc/02/39/48/851023948.db2.gz SNVJEZNPMNZXDD-KRWDZBQOSA-N 1 2 377.492 3.846 20 30 GHEDLO CC(C)[C@]1(CO)CCC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000550063893 851334496 /nfs/dbraw/zinc/33/44/96/851334496.db2.gz VLWOENANGQLDCT-OAQYLSRUSA-N 1 2 389.565 3.558 20 30 GHEDLO CC(C)[C@]1(CO)CCC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000550063893 851334511 /nfs/dbraw/zinc/33/45/11/851334511.db2.gz VLWOENANGQLDCT-OAQYLSRUSA-N 1 2 389.565 3.558 20 30 GHEDLO CC[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc(OC)cc1OC ZINC000604493353 862251413 /nfs/dbraw/zinc/25/14/13/862251413.db2.gz SVKCADQSLZHBIH-UHFFFAOYSA-N 1 2 387.867 3.689 20 30 GHEDLO CC[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc(OC)cc1OC ZINC000604493353 862251423 /nfs/dbraw/zinc/25/14/23/862251423.db2.gz SVKCADQSLZHBIH-UHFFFAOYSA-N 1 2 387.867 3.689 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000550096506 851536661 /nfs/dbraw/zinc/53/66/61/851536661.db2.gz LMQWJOUOZIVQHW-KKSFZXQISA-N 1 2 386.467 3.651 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000550096506 851536669 /nfs/dbraw/zinc/53/66/69/851536669.db2.gz LMQWJOUOZIVQHW-KKSFZXQISA-N 1 2 386.467 3.651 20 30 GHEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000329733584 862274347 /nfs/dbraw/zinc/27/43/47/862274347.db2.gz JSLQYGXVGDGBQB-RHSMWYFYSA-N 1 2 376.913 3.625 20 30 GHEDLO O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)NC[C@@H]1CCC[C@H](O)C1 ZINC000329791696 862323971 /nfs/dbraw/zinc/32/39/71/862323971.db2.gz DXXKDEQIJAXTAF-RVKKMQEKSA-N 1 2 397.922 3.671 20 30 GHEDLO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000489433412 852333240 /nfs/dbraw/zinc/33/32/40/852333240.db2.gz HGNBEVCGNLCLGW-INIZCTEOSA-N 1 2 397.441 3.521 20 30 GHEDLO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000489433412 852333249 /nfs/dbraw/zinc/33/32/49/852333249.db2.gz HGNBEVCGNLCLGW-INIZCTEOSA-N 1 2 397.441 3.521 20 30 GHEDLO COCc1cccc2sc(=NC(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)[nH]c21 ZINC000329888733 862400574 /nfs/dbraw/zinc/40/05/74/862400574.db2.gz ZIYCAHMDRJPWFX-ZFWWWQNUSA-N 1 2 385.493 3.768 20 30 GHEDLO [O-]C(NC[C@@H]1CCc2[nH+]ccn2C1)=[NH+]CC1(c2ccc(F)cc2F)CCCC1 ZINC000329903565 862410003 /nfs/dbraw/zinc/41/00/03/862410003.db2.gz QIDBETNXIAZIFV-HNNXBMFYSA-N 1 2 388.462 3.739 20 30 GHEDLO [O-]C(NCC1(c2ccc(F)cc2F)CCCC1)=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000329903565 862410010 /nfs/dbraw/zinc/41/00/10/862410010.db2.gz QIDBETNXIAZIFV-HNNXBMFYSA-N 1 2 388.462 3.739 20 30 GHEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282486803 862414220 /nfs/dbraw/zinc/41/42/20/862414220.db2.gz XYZGWYZXDBWFPD-GOSISDBHSA-N 1 2 392.503 3.655 20 30 GHEDLO C[C@@H]1C(=O)CC[C@@H](C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1(C)C ZINC000329925178 862428472 /nfs/dbraw/zinc/42/84/72/862428472.db2.gz JPLAFEKMRVSLJD-MSOLQXFVSA-N 1 2 378.557 3.867 20 30 GHEDLO C#C[C@H]([NH2+]Cc1c(C)nc2sc(C)nn12)c1ccc(Br)cc1 ZINC000894872207 853289224 /nfs/dbraw/zinc/28/92/24/853289224.db2.gz ZVKFPNKFHFHGRY-AWEZNQCLSA-N 1 2 375.295 3.634 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3coc(C4CCOCC4)n3)n2)C1 ZINC000329959824 862457781 /nfs/dbraw/zinc/45/77/81/862457781.db2.gz NOCNXEMCLUKVEM-CYBMUJFWSA-N 1 2 390.509 3.893 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3coc(C4CCOCC4)n3)n2)C1 ZINC000329959824 862457788 /nfs/dbraw/zinc/45/77/88/862457788.db2.gz NOCNXEMCLUKVEM-CYBMUJFWSA-N 1 2 390.509 3.893 20 30 GHEDLO Cc1ccccc1[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000491115481 853441725 /nfs/dbraw/zinc/44/17/25/853441725.db2.gz SCAMZEBRBQNXNU-HSZRJFAPSA-N 1 2 388.515 3.845 20 30 GHEDLO C[C@@H](C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1)[NH+]1CCSCC1 ZINC000491090013 853448167 /nfs/dbraw/zinc/44/81/67/853448167.db2.gz DTOHSFLPTLBKQP-AWEZNQCLSA-N 1 2 385.464 3.865 20 30 GHEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(c2ccccc2Br)CC1 ZINC000439267501 853485547 /nfs/dbraw/zinc/48/55/47/853485547.db2.gz SGWVEXWLKYGSGL-IBGZPJMESA-N 1 2 392.341 3.683 20 30 GHEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(c2ccccc2Br)CC1 ZINC000439256196 853492525 /nfs/dbraw/zinc/49/25/25/853492525.db2.gz HCVHHUUYYZZTFM-OAHLLOKOSA-N 1 2 392.341 3.637 20 30 GHEDLO N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)c1 ZINC000587055983 853634298 /nfs/dbraw/zinc/63/42/98/853634298.db2.gz BBYBKWKDDSKPND-KRWDZBQOSA-N 1 2 392.846 3.945 20 30 GHEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC(C)(C)O[C@@H]3CCC[C@H]32)ccc1Cl ZINC000440966426 853782812 /nfs/dbraw/zinc/78/28/12/853782812.db2.gz JDKOZYOTZKJADE-RTBURBONSA-N 1 2 389.927 3.927 20 30 GHEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CC(C)(C)O[C@@H]3CCC[C@H]32)ccc1Cl ZINC000440966426 853782820 /nfs/dbraw/zinc/78/28/20/853782820.db2.gz JDKOZYOTZKJADE-RTBURBONSA-N 1 2 389.927 3.927 20 30 GHEDLO C=CCn1c2ccccc2n(C[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)c1=S ZINC000732797986 862499520 /nfs/dbraw/zinc/49/95/20/862499520.db2.gz UVGDWXZAEGOENZ-KRWDZBQOSA-N 1 2 384.549 3.793 20 30 GHEDLO C=CCn1c2ccccc2n(C[N@H+]2CCC[C@H](N3CCCCC3=O)C2)c1=S ZINC000732797986 862499527 /nfs/dbraw/zinc/49/95/27/862499527.db2.gz UVGDWXZAEGOENZ-KRWDZBQOSA-N 1 2 384.549 3.793 20 30 GHEDLO CCOc1ccc2c(c1)CC[N@H+]([C@H](C)C(=O)N(CCC#N)c1ccccc1)C2 ZINC000441071364 853887703 /nfs/dbraw/zinc/88/77/03/853887703.db2.gz XBONVUJILWUAKJ-GOSISDBHSA-N 1 2 377.488 3.779 20 30 GHEDLO CCOc1ccc2c(c1)CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c1ccccc1)C2 ZINC000441071364 853887709 /nfs/dbraw/zinc/88/77/09/853887709.db2.gz XBONVUJILWUAKJ-GOSISDBHSA-N 1 2 377.488 3.779 20 30 GHEDLO CCCCNC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2nc(-c3ccco3)cs2)C1 ZINC000051058060 854379324 /nfs/dbraw/zinc/37/93/24/854379324.db2.gz DDBXGVJHBGWFGL-AWEZNQCLSA-N 1 2 390.509 3.619 20 30 GHEDLO CCCCNC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2nc(-c3ccco3)cs2)C1 ZINC000051058060 854379328 /nfs/dbraw/zinc/37/93/28/854379328.db2.gz DDBXGVJHBGWFGL-AWEZNQCLSA-N 1 2 390.509 3.619 20 30 GHEDLO N#CCCC1CC[NH+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)CC1 ZINC000572118048 854399220 /nfs/dbraw/zinc/39/92/20/854399220.db2.gz ISZJHAVQJCIXGA-UHFFFAOYSA-N 1 2 386.496 3.827 20 30 GHEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)c2coc(C3CCCCC3)n2)nc[nH+]1 ZINC000328664882 854495508 /nfs/dbraw/zinc/49/55/08/854495508.db2.gz BZTSBFAVUMHOJB-OAHLLOKOSA-N 1 2 384.484 3.528 20 30 GHEDLO CNc1cc(N2CCC[C@@H]2CNC(=O)c2coc(C3CCCCC3)n2)[nH+]cn1 ZINC000328664882 854495518 /nfs/dbraw/zinc/49/55/18/854495518.db2.gz BZTSBFAVUMHOJB-OAHLLOKOSA-N 1 2 384.484 3.528 20 30 GHEDLO Cc1nc([C@H]2CCCN2C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)no1 ZINC000328849181 854575465 /nfs/dbraw/zinc/57/54/65/854575465.db2.gz YPPNHYIOVHMKTG-GOSISDBHSA-N 1 2 390.447 3.676 20 30 GHEDLO Cc1nsc(N2CC[NH+]([C@H](C)c3ccc(OC(F)F)cc3)CC2)c1C#N ZINC000589285113 854784406 /nfs/dbraw/zinc/78/44/06/854784406.db2.gz BDZUDBPNURUHKB-CYBMUJFWSA-N 1 2 378.448 3.808 20 30 GHEDLO N#Cc1cc(NCc2cccc(Cn3cc[nH+]c3)c2)nc2ccc([N+](=O)[O-])cc12 ZINC000301333595 855669238 /nfs/dbraw/zinc/66/92/38/855669238.db2.gz FMPQZWKXPRYIEO-UHFFFAOYSA-N 1 2 384.399 3.872 20 30 GHEDLO CC[C@H](Nc1snc(Cl)c1C#N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000301692857 855742961 /nfs/dbraw/zinc/74/29/61/855742961.db2.gz ZJMJIPXUJIZAAQ-HOTGVXAUSA-N 1 2 376.913 3.760 20 30 GHEDLO CC[C@H](Nc1snc(Cl)c1C#N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000301692857 855742967 /nfs/dbraw/zinc/74/29/67/855742967.db2.gz ZJMJIPXUJIZAAQ-HOTGVXAUSA-N 1 2 376.913 3.760 20 30 GHEDLO Cc1ccc(NC[C@H](c2ccc(C(F)(F)F)cc2)[NH+]2CCOCC2)nc1C#N ZINC000302679293 855907276 /nfs/dbraw/zinc/90/72/76/855907276.db2.gz VZMXSFUREGNYLH-GOSISDBHSA-N 1 2 390.409 3.766 20 30 GHEDLO Cc1nc([C@@H]2CCCOC2)sc1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000330304029 862821270 /nfs/dbraw/zinc/82/12/70/862821270.db2.gz KDTKQOMLUYWMEG-OAHLLOKOSA-N 1 2 386.521 3.714 20 30 GHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](C)[C@@H](C)c2ccccn2)c1C#N ZINC000091704591 856717485 /nfs/dbraw/zinc/71/74/85/856717485.db2.gz BRWRVAIFKKLPGM-SFHVURJKSA-N 1 2 387.487 3.992 20 30 GHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](C)[C@@H](C)c2ccccn2)c1C#N ZINC000091704591 856717491 /nfs/dbraw/zinc/71/74/91/856717491.db2.gz BRWRVAIFKKLPGM-SFHVURJKSA-N 1 2 387.487 3.992 20 30 GHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCc1ccc(C#N)cc1F ZINC000174767573 857381767 /nfs/dbraw/zinc/38/17/67/857381767.db2.gz SMKIGQRWVYRNHW-UHFFFAOYSA-N 1 2 395.482 3.540 20 30 GHEDLO Cc1ccc(C[C@H](C)NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000520911797 857397738 /nfs/dbraw/zinc/39/77/38/857397738.db2.gz JEYRGAQOIUAKPQ-FQEVSTJZSA-N 1 2 390.531 3.634 20 30 GHEDLO N#Cc1cc(NC(=O)NCCCCNc2cccc[nH+]2)ccc1OC(F)(F)F ZINC000442226178 857617196 /nfs/dbraw/zinc/61/71/96/857617196.db2.gz OQAXDWCRFCHPLX-UHFFFAOYSA-N 1 2 393.369 3.866 20 30 GHEDLO CCO[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000255337545 857718515 /nfs/dbraw/zinc/71/85/15/857718515.db2.gz VVIWRBFWXKOJSN-CABCVRRESA-N 1 2 375.538 3.717 20 30 GHEDLO CCO[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000255337545 857718519 /nfs/dbraw/zinc/71/85/19/857718519.db2.gz VVIWRBFWXKOJSN-CABCVRRESA-N 1 2 375.538 3.717 20 30 GHEDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc(C3CC3)nc(SC)c2C#N)c1C ZINC000058958128 857820915 /nfs/dbraw/zinc/82/09/15/857820915.db2.gz GFBJXRJDUYYIDD-UHFFFAOYSA-N 1 2 396.516 3.845 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594026528 857843845 /nfs/dbraw/zinc/84/38/45/857843845.db2.gz LJWMJXYTWKPSIB-WMZOPIPTSA-N 1 2 387.549 3.910 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594026528 857843849 /nfs/dbraw/zinc/84/38/49/857843849.db2.gz LJWMJXYTWKPSIB-WMZOPIPTSA-N 1 2 387.549 3.910 20 30 GHEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2cc(C#N)cc(N(C)C)c2)c(C)c1 ZINC000486623822 857921639 /nfs/dbraw/zinc/92/16/39/857921639.db2.gz FMKQOEMTTQKMEM-JOCHJYFZSA-N 1 2 387.487 3.609 20 30 GHEDLO Cc1oc(NC(=O)C[N@H+](Cc2ccccc2)[C@@H]2COC(C)(C)C2)c(C#N)c1C ZINC000595634620 858625358 /nfs/dbraw/zinc/62/53/58/858625358.db2.gz DEASPWNIZLZFLQ-SFHVURJKSA-N 1 2 381.476 3.776 20 30 GHEDLO Cc1oc(NC(=O)C[N@@H+](Cc2ccccc2)[C@@H]2COC(C)(C)C2)c(C#N)c1C ZINC000595634620 858625360 /nfs/dbraw/zinc/62/53/60/858625360.db2.gz DEASPWNIZLZFLQ-SFHVURJKSA-N 1 2 381.476 3.776 20 30 GHEDLO CN(C(=O)C[N@H+](C)Cc1ccccc1OC(F)(F)F)C1(C#N)CCCCC1 ZINC000025246520 859103551 /nfs/dbraw/zinc/10/35/51/859103551.db2.gz CEEWIBYUKODAMJ-UHFFFAOYSA-N 1 2 383.414 3.702 20 30 GHEDLO CN(C(=O)C[N@@H+](C)Cc1ccccc1OC(F)(F)F)C1(C#N)CCCCC1 ZINC000025246520 859103554 /nfs/dbraw/zinc/10/35/54/859103554.db2.gz CEEWIBYUKODAMJ-UHFFFAOYSA-N 1 2 383.414 3.702 20 30 GHEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2n1C(C)C ZINC000483095939 859133100 /nfs/dbraw/zinc/13/31/00/859133100.db2.gz ICQIWMUOUIBKIR-XLIONFOSSA-N 1 2 381.524 3.762 20 30 GHEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2n1C(C)C ZINC000483095939 859133104 /nfs/dbraw/zinc/13/31/04/859133104.db2.gz ICQIWMUOUIBKIR-XLIONFOSSA-N 1 2 381.524 3.762 20 30 GHEDLO C[C@@H](NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(C#N)cc1 ZINC000282538864 859145642 /nfs/dbraw/zinc/14/56/42/859145642.db2.gz MHDMSLURLDBZDO-VQIMIIECSA-N 1 2 377.492 3.741 20 30 GHEDLO N#Cc1cccnc1N1CC[NH+](Cc2ccc(-c3cccc(F)c3F)o2)CC1 ZINC000483145359 859179827 /nfs/dbraw/zinc/17/98/27/859179827.db2.gz UQGATLRJLKNCRN-UHFFFAOYSA-N 1 2 380.398 3.814 20 30 GHEDLO CC(C)[C@@H]1C[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)CCCO1 ZINC000550559267 859208954 /nfs/dbraw/zinc/20/89/54/859208954.db2.gz FAAGMKYZZPXHJH-AEFFLSMTSA-N 1 2 375.538 3.624 20 30 GHEDLO CC(C)[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)CCCO1 ZINC000550559267 859208962 /nfs/dbraw/zinc/20/89/62/859208962.db2.gz FAAGMKYZZPXHJH-AEFFLSMTSA-N 1 2 375.538 3.624 20 30 GHEDLO Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000597205315 859361415 /nfs/dbraw/zinc/36/14/15/859361415.db2.gz IQFTYBUUZTZRKG-IBGZPJMESA-N 1 2 388.446 3.998 20 30 GHEDLO C=C(C)Cn1c(-c2ccncc2)nn(CN2CCC[C@@H](n3cc[nH+]c3)C2)c1=S ZINC000765014624 859728320 /nfs/dbraw/zinc/72/83/20/859728320.db2.gz QKSFYPNHCDIGEQ-GOSISDBHSA-N 1 2 395.536 3.543 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+](C)[C@@H]2CC[C@H](SCC)C2)c1=S ZINC000765038181 859757244 /nfs/dbraw/zinc/75/72/44/859757244.db2.gz NMFPVAJIRVRCNE-CABCVRRESA-N 1 2 390.582 3.621 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+](C)[C@@H]2CC[C@H](SCC)C2)c1=S ZINC000765038181 859757254 /nfs/dbraw/zinc/75/72/54/859757254.db2.gz NMFPVAJIRVRCNE-CABCVRRESA-N 1 2 390.582 3.621 20 30 GHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+]2CCC3(C2)CCOCC3)c1=S ZINC000765047798 859761566 /nfs/dbraw/zinc/76/15/66/859761566.db2.gz PPYJQECVFHZULR-UHFFFAOYSA-N 1 2 385.537 3.512 20 30 GHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+]2CCC3(C2)CCOCC3)c1=S ZINC000765047798 859761572 /nfs/dbraw/zinc/76/15/72/859761572.db2.gz PPYJQECVFHZULR-UHFFFAOYSA-N 1 2 385.537 3.512 20 30 GHEDLO C[C@@H](c1ccccn1)[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000161249488 859766326 /nfs/dbraw/zinc/76/63/26/859766326.db2.gz FYUZABRVOPVKKJ-KXBFYZLASA-N 1 2 385.309 3.788 20 30 GHEDLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N[C@H](CCCC#N)c2ccccc2)cc1 ZINC000602157835 859814414 /nfs/dbraw/zinc/81/44/14/859814414.db2.gz FHTZMECCLQLDDO-YADHBBJMSA-N 1 2 377.488 3.821 20 30 GHEDLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)N[C@H](CCCC#N)c2ccccc2)cc1 ZINC000602157835 859814415 /nfs/dbraw/zinc/81/44/15/859814415.db2.gz FHTZMECCLQLDDO-YADHBBJMSA-N 1 2 377.488 3.821 20 30 GHEDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccccc2Sc2ccccc2C#N)[C@@H](C)CO1 ZINC000597997061 859977107 /nfs/dbraw/zinc/97/71/07/859977107.db2.gz KTSKVDAJJBSZHE-DLBZAZTESA-N 1 2 395.528 3.548 20 30 GHEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccccc2Sc2ccccc2C#N)[C@@H](C)CO1 ZINC000597997061 859977109 /nfs/dbraw/zinc/97/71/09/859977109.db2.gz KTSKVDAJJBSZHE-DLBZAZTESA-N 1 2 395.528 3.548 20 30 GHEDLO C[C@H](c1ccsc1)N1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000185449245 860280329 /nfs/dbraw/zinc/28/03/29/860280329.db2.gz DWEBSKSFUDRPRO-QGZVFWFLSA-N 1 2 391.544 3.899 20 30 GHEDLO COc1ccc(CN(C(=O)C[NH2+][C@H](C)CC#N)[C@@H](C)Cc2cccs2)cc1 ZINC000602860933 860318300 /nfs/dbraw/zinc/31/83/00/860318300.db2.gz DXWMNEPWJBVMGH-SJORKVTESA-N 1 2 385.533 3.608 20 30 GHEDLO N#CCSc1ccccc1NC(=O)C[NH+]1CCC(Cc2nccs2)CC1 ZINC000602955880 860380595 /nfs/dbraw/zinc/38/05/95/860380595.db2.gz LZSXVMMDESXCRM-UHFFFAOYSA-N 1 2 386.546 3.652 20 30 GHEDLO C=C(C)Cn1c(-c2cc(C)cs2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000624996030 860682740 /nfs/dbraw/zinc/68/27/40/860682740.db2.gz IRGYQWWOZUITAR-UHFFFAOYSA-N 1 2 398.536 3.510 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2cc(Br)ccc2C#N)CCC[C@]1(O)C(F)(F)F ZINC001141894963 860781311 /nfs/dbraw/zinc/78/13/11/860781311.db2.gz WEFFUWQPIOIGIH-IAQYHMDHSA-N 1 2 391.231 3.846 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2cc(Br)ccc2C#N)CCC[C@]1(O)C(F)(F)F ZINC001141894963 860781318 /nfs/dbraw/zinc/78/13/18/860781318.db2.gz WEFFUWQPIOIGIH-IAQYHMDHSA-N 1 2 391.231 3.846 20 30 GHEDLO N#Cc1ccc(Br)cc1CN1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC001141895009 860782308 /nfs/dbraw/zinc/78/23/08/860782308.db2.gz XVFCRUZAAVFMPA-UHFFFAOYSA-N 1 2 388.284 3.778 20 30 GHEDLO CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000329005816 860943062 /nfs/dbraw/zinc/94/30/62/860943062.db2.gz XOHHZPLWSRZPOD-YLJYHZDGSA-N 1 2 385.512 3.664 20 30 GHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000730285354 860992293 /nfs/dbraw/zinc/99/22/93/860992293.db2.gz NLXXOMBBYILRGO-WMZOPIPTSA-N 1 2 383.492 3.540 20 30 GHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000730285354 860992305 /nfs/dbraw/zinc/99/23/05/860992305.db2.gz NLXXOMBBYILRGO-WMZOPIPTSA-N 1 2 383.492 3.540 20 30 GHEDLO CCC1(O)CC[NH+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)CC1 ZINC000444167295 863574670 /nfs/dbraw/zinc/57/46/70/863574670.db2.gz LMKAPPXWBUGKNI-UHFFFAOYSA-N 1 2 386.540 3.657 20 30 GHEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000594018089 863755015 /nfs/dbraw/zinc/75/50/15/863755015.db2.gz RITYSRQEGGZREE-FXAWDEMLSA-N 1 2 376.504 3.676 20 30 GHEDLO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000594018090 863755067 /nfs/dbraw/zinc/75/50/67/863755067.db2.gz RITYSRQEGGZREE-PXNSSMCTSA-N 1 2 376.504 3.676 20 30 GHEDLO Cn1cc(C[N@@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c(Cl)n1 ZINC000897053616 864368227 /nfs/dbraw/zinc/36/82/27/864368227.db2.gz CNCBRKCIVYVCJM-OCAPTIKFSA-N 1 2 397.697 3.676 20 30 GHEDLO Cn1cc(C[N@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c(Cl)n1 ZINC000897053616 864368242 /nfs/dbraw/zinc/36/82/42/864368242.db2.gz CNCBRKCIVYVCJM-OCAPTIKFSA-N 1 2 397.697 3.676 20 30 GHEDLO COC[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1)c1ccc(C)o1 ZINC000184740012 864894020 /nfs/dbraw/zinc/89/40/20/864894020.db2.gz LCJHDMHTVGIXQP-AZUAARDMSA-N 1 2 383.492 3.817 20 30 GHEDLO C=CCOc1ccc(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1OC ZINC000608209000 865106638 /nfs/dbraw/zinc/10/66/38/865106638.db2.gz ZLUVBYFIJXNENT-LJQANCHMSA-N 1 2 391.471 3.707 20 30 GHEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)CSc3ccc(C#N)cc3)CC2)cc1 ZINC000174190815 865547843 /nfs/dbraw/zinc/54/78/43/865547843.db2.gz NWPILQAOQIWJAQ-UHFFFAOYSA-N 1 2 394.544 3.502 20 30 GHEDLO C=CCn1c(-c2ccc(Cl)cc2)nn(C[N@H+]2CC[C@@H](COC)C2)c1=S ZINC000739872435 865805374 /nfs/dbraw/zinc/80/53/74/865805374.db2.gz PPJOIPLJLXRILA-CQSZACIVSA-N 1 2 378.929 3.846 20 30 GHEDLO C=CCn1c(-c2ccc(Cl)cc2)nn(C[N@@H+]2CC[C@@H](COC)C2)c1=S ZINC000739872435 865805384 /nfs/dbraw/zinc/80/53/84/865805384.db2.gz PPJOIPLJLXRILA-CQSZACIVSA-N 1 2 378.929 3.846 20 30 GHEDLO C=CCn1c(-c2ccc(Cl)cc2)nn(C[N@H+]2CC[C@H](COC)C2)c1=S ZINC000739872425 865805480 /nfs/dbraw/zinc/80/54/80/865805480.db2.gz PPJOIPLJLXRILA-AWEZNQCLSA-N 1 2 378.929 3.846 20 30 GHEDLO C=CCn1c(-c2ccc(Cl)cc2)nn(C[N@@H+]2CC[C@H](COC)C2)c1=S ZINC000739872425 865805488 /nfs/dbraw/zinc/80/54/88/865805488.db2.gz PPJOIPLJLXRILA-AWEZNQCLSA-N 1 2 378.929 3.846 20 30 GHEDLO CC(=O)N1CC[N@H+](Cc2cc(Cl)ccc2OCC#N)CC12CCCCC2 ZINC000766246051 865856621 /nfs/dbraw/zinc/85/66/21/865856621.db2.gz KBEAJUCIHGFYEJ-UHFFFAOYSA-N 1 2 375.900 3.609 20 30 GHEDLO CC(=O)N1CC[N@@H+](Cc2cc(Cl)ccc2OCC#N)CC12CCCCC2 ZINC000766246051 865856635 /nfs/dbraw/zinc/85/66/35/865856635.db2.gz KBEAJUCIHGFYEJ-UHFFFAOYSA-N 1 2 375.900 3.609 20 30 GHEDLO O=[N+]([O-])c1cc(C=[NH+]OCCCOCC(F)(F)F)ccc1N1CCCC1 ZINC000740872909 866059154 /nfs/dbraw/zinc/05/91/54/866059154.db2.gz WFNMCVIKIPNTIT-UHFFFAOYSA-N 1 2 375.347 3.515 20 30 GHEDLO C#Cc1cccc(NC(=S)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c1 ZINC000741863000 866856247 /nfs/dbraw/zinc/85/62/47/866856247.db2.gz QGEGABFXYDRNMD-UHFFFAOYSA-N 1 2 378.545 3.689 20 30 GHEDLO N#CC1(F)CCN(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000479353181 867596901 /nfs/dbraw/zinc/59/69/01/867596901.db2.gz YYPLSXCDNWNFOY-INIZCTEOSA-N 1 2 396.869 3.653 20 30 GHEDLO C[C@@H](NC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)c1ccc(C#N)cc1 ZINC000743125566 867874804 /nfs/dbraw/zinc/87/48/04/867874804.db2.gz TYAGPYYMSVQWSF-QGZVFWFLSA-N 1 2 391.519 3.653 20 30 GHEDLO C#CCOc1cc(F)ccc1NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000743197591 867945971 /nfs/dbraw/zinc/94/59/71/867945971.db2.gz CAXRBAQCBWLNDS-IBGZPJMESA-N 1 2 392.434 3.677 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccccc2OCC(F)(F)F)c1 ZINC000743841762 868440960 /nfs/dbraw/zinc/44/09/60/868440960.db2.gz VWFRZQWPRLYRJT-UHFFFAOYSA-N 1 2 376.378 3.680 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccccc2OCC(F)(F)F)c1 ZINC000743841762 868440965 /nfs/dbraw/zinc/44/09/65/868440965.db2.gz VWFRZQWPRLYRJT-UHFFFAOYSA-N 1 2 376.378 3.680 20 30 GHEDLO COc1cc(SC)ccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000446406114 869800269 /nfs/dbraw/zinc/80/02/69/869800269.db2.gz OMRXVZJNGUUMMS-UHFFFAOYSA-N 1 2 396.516 3.638 20 30 GHEDLO C=CCn1c(Cc2ccccc2Cl)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000508861705 869900352 /nfs/dbraw/zinc/90/03/52/869900352.db2.gz DOTQRSGSGBZEJW-UHFFFAOYSA-N 1 2 397.910 3.624 20 30 GHEDLO COc1cc(C#N)ccc1C(=O)NC[C@@H](c1ccc(Cl)cc1Cl)[NH+](C)C ZINC001192272451 870255136 /nfs/dbraw/zinc/25/51/36/870255136.db2.gz AJYYOVNXPSSIFM-KRWDZBQOSA-N 1 2 392.286 3.906 20 30 GHEDLO CC(C)N(C(=O)[C@H](C)[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1)C(C)C ZINC000471003054 870958900 /nfs/dbraw/zinc/95/89/00/870958900.db2.gz CPYADXJKPBWMLI-FXAWDEMLSA-N 1 2 390.959 3.556 20 30 GHEDLO Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(NCCC(=O)Nc2ccccc2)[nH+]1 ZINC001168976540 871050118 /nfs/dbraw/zinc/05/01/18/871050118.db2.gz YSUFRQPCQVMMDP-SDYGVVLCSA-N 1 2 386.521 3.712 20 30 GHEDLO C=CC[NH+]1CCN(C(=O)c2c(C)n(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC001193548196 871160919 /nfs/dbraw/zinc/16/09/19/871160919.db2.gz VQSUCTDAGGPDEM-UHFFFAOYSA-N 1 2 386.499 3.792 20 30 GHEDLO COc1ccc(C[NH+]2CCN(C)CC2)cc1N[C@@](C)(C#N)c1ccccc1Cl ZINC001169390741 871463616 /nfs/dbraw/zinc/46/36/16/871463616.db2.gz MIAVJRNYDXDFNF-QFIPXVFZSA-N 1 2 398.938 3.947 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3c(F)cc(Cl)cc3F)CC2)cc1 ZINC000539317757 871678602 /nfs/dbraw/zinc/67/86/02/871678602.db2.gz ZDKXVMQEPMPSBT-UHFFFAOYSA-N 1 2 390.821 3.840 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000463451048 871779135 /nfs/dbraw/zinc/77/91/35/871779135.db2.gz FBDOTNJOCHVSHY-JOCHJYFZSA-N 1 2 382.529 3.539 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000463451048 871779151 /nfs/dbraw/zinc/77/91/51/871779151.db2.gz FBDOTNJOCHVSHY-JOCHJYFZSA-N 1 2 382.529 3.539 20 30 GHEDLO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000618753979 871952932 /nfs/dbraw/zinc/95/29/32/871952932.db2.gz MBVJJQORIHTDCA-IBGZPJMESA-N 1 2 387.443 3.643 20 30 GHEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@H]2CCc3cc(C#N)ccc32)CC1 ZINC000618854374 872081107 /nfs/dbraw/zinc/08/11/07/872081107.db2.gz VRDZAFCEVDKWHT-YWZLYKJASA-N 1 2 380.517 3.695 20 30 GHEDLO N#Cc1nc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)ccc1C(F)(F)F ZINC000443409337 872284435 /nfs/dbraw/zinc/28/44/35/872284435.db2.gz KNMODRBVMHDSCX-UHFFFAOYSA-N 1 2 380.801 3.948 20 30 GHEDLO COc1ccc([C@@H]([NH2+]CC(=O)NC2(C#N)CCC2)c2ccccc2Cl)c(C)c1 ZINC000527118135 872703477 /nfs/dbraw/zinc/70/34/77/872703477.db2.gz AJJLDXJSUYHZTE-OAQYLSRUSA-N 1 2 397.906 3.899 20 30 GHEDLO COc1cccc2c1CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)C2 ZINC000182709913 872703780 /nfs/dbraw/zinc/70/37/80/872703780.db2.gz VIPJNPUCCCWLJE-MRXNPFEDSA-N 1 2 381.451 3.528 20 30 GHEDLO COc1cccc2c1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)C2 ZINC000182709913 872703791 /nfs/dbraw/zinc/70/37/91/872703791.db2.gz VIPJNPUCCCWLJE-MRXNPFEDSA-N 1 2 381.451 3.528 20 30 GHEDLO N#Cc1cc(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)ccc1OC(F)(F)F ZINC000619667150 872879509 /nfs/dbraw/zinc/87/95/09/872879509.db2.gz KMCHOBVQFHPUEO-CQSZACIVSA-N 1 2 379.342 3.522 20 30 GHEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2Cc2ccccc2Cl)cc1 ZINC000478425016 873008324 /nfs/dbraw/zinc/00/83/24/873008324.db2.gz GWHLSKZMYRJRDC-GOSISDBHSA-N 1 2 388.920 3.692 20 30 GHEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2Cc2ccccc2Cl)cc1 ZINC000478425016 873008345 /nfs/dbraw/zinc/00/83/45/873008345.db2.gz GWHLSKZMYRJRDC-GOSISDBHSA-N 1 2 388.920 3.692 20 30 GHEDLO Cc1ccccc1C[N@@H+]1CCO[C@@H](c2noc(CC3(C#N)CCCCC3)n2)C1 ZINC000867179890 873168806 /nfs/dbraw/zinc/16/88/06/873168806.db2.gz DBUYCVVFZPWAHC-LJQANCHMSA-N 1 2 380.492 3.968 20 30 GHEDLO Cc1ccccc1C[N@H+]1CCO[C@@H](c2noc(CC3(C#N)CCCCC3)n2)C1 ZINC000867179890 873168808 /nfs/dbraw/zinc/16/88/08/873168808.db2.gz DBUYCVVFZPWAHC-LJQANCHMSA-N 1 2 380.492 3.968 20 30 GHEDLO C#CCOc1ccccc1CN[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000768231679 873180893 /nfs/dbraw/zinc/18/08/93/873180893.db2.gz PFZMQXSCHHRDHJ-YADHBBJMSA-N 1 2 384.907 3.514 20 30 GHEDLO C#CCOc1ccccc1CN[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000768231679 873180901 /nfs/dbraw/zinc/18/09/01/873180901.db2.gz PFZMQXSCHHRDHJ-YADHBBJMSA-N 1 2 384.907 3.514 20 30 GHEDLO C#CCC[NH+]1CCC(NC(=O)c2cc(-c3ccccc3)cc(Cl)c2O)CC1 ZINC000769124433 873826260 /nfs/dbraw/zinc/82/62/60/873826260.db2.gz AEIRDXFJEFUECY-UHFFFAOYSA-N 1 2 382.891 3.930 20 30 GHEDLO C=CCOC(=O)[C@@H](Cc1ccc(OC(C)(C)C)cc1)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC001168101280 873851949 /nfs/dbraw/zinc/85/19/49/873851949.db2.gz IFIBFVVPPXHEJG-ILZDJORESA-N 1 2 375.509 3.661 20 30 GHEDLO CC(C)COC[C@@H]([NH2+][C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1ccco1 ZINC000541627694 873988996 /nfs/dbraw/zinc/98/89/96/873988996.db2.gz VULAYAMQCQFQFG-IDPGXWOASA-N 1 2 389.540 3.902 20 30 GHEDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc(Br)cc2C#N)c1C ZINC000448821479 874019052 /nfs/dbraw/zinc/01/90/52/874019052.db2.gz GGAUHJODHBQTLT-UHFFFAOYSA-N 1 2 388.265 3.613 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCC[N@H+](Cc1nc(C#N)cs1)C2 ZINC001197778547 874042674 /nfs/dbraw/zinc/04/26/74/874042674.db2.gz WPTLNDUBHXFBKZ-IBGZPJMESA-N 1 2 376.526 3.628 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCC[N@@H+](Cc1nc(C#N)cs1)C2 ZINC001197778547 874042686 /nfs/dbraw/zinc/04/26/86/874042686.db2.gz WPTLNDUBHXFBKZ-IBGZPJMESA-N 1 2 376.526 3.628 20 30 GHEDLO C=C(Br)C[N@@H+]1CCC12CCN(C(=O)OCc1ccccc1)CC2 ZINC001198011945 874161497 /nfs/dbraw/zinc/16/14/97/874161497.db2.gz WXBWQHYWAVMRHF-UHFFFAOYSA-N 1 2 379.298 3.772 20 30 GHEDLO C=C(Br)C[N@H+]1CCC12CCN(C(=O)OCc1ccccc1)CC2 ZINC001198011945 874161506 /nfs/dbraw/zinc/16/15/06/874161506.db2.gz WXBWQHYWAVMRHF-UHFFFAOYSA-N 1 2 379.298 3.772 20 30 GHEDLO CC(=[NH+]Nc1ccnc(Br)c1)c1ccc(N2CCCC2)cc1O ZINC000769805632 874299213 /nfs/dbraw/zinc/29/92/13/874299213.db2.gz ZASQRYAUCQZBCW-UHFFFAOYSA-N 1 2 375.270 3.986 20 30 GHEDLO CC(C)(C)OC(=O)NCc1ccc(C(N)=[NH+]OCc2ccc(F)cc2C#N)cc1 ZINC000769843187 874321039 /nfs/dbraw/zinc/32/10/39/874321039.db2.gz XCLRSPWJTHKFGQ-UHFFFAOYSA-N 1 2 398.438 3.559 20 30 GHEDLO C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)o1 ZINC000508634495 882818143 /nfs/dbraw/zinc/81/81/43/882818143.db2.gz WCPZQZCDFQLZMP-ZBFHGGJFSA-N 1 2 378.432 3.845 20 30 GHEDLO C[C@H](C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000449049179 874419431 /nfs/dbraw/zinc/41/94/31/874419431.db2.gz RCUWLILEMGTJKD-VOQZNFBZSA-N 1 2 382.529 3.965 20 30 GHEDLO C[C@H](C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000449049179 874419436 /nfs/dbraw/zinc/41/94/36/874419436.db2.gz RCUWLILEMGTJKD-VOQZNFBZSA-N 1 2 382.529 3.965 20 30 GHEDLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2cccc(C)c2C)nc1 ZINC001198597268 874507392 /nfs/dbraw/zinc/50/73/92/874507392.db2.gz SAOHODZDLXLBSB-QFIPXVFZSA-N 1 2 392.503 3.791 20 30 GHEDLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2cccc(C)c2C)nc1 ZINC001198597268 874507397 /nfs/dbraw/zinc/50/73/97/874507397.db2.gz SAOHODZDLXLBSB-QFIPXVFZSA-N 1 2 392.503 3.791 20 30 GHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2Cc3ccccc3OC[C@@H]2C)c1C ZINC000542019355 874784716 /nfs/dbraw/zinc/78/47/16/874784716.db2.gz CAGIUPBPJDNJQA-SFHVURJKSA-N 1 2 377.488 3.833 20 30 GHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2Cc3ccccc3OC[C@@H]2C)c1C ZINC000542019355 874784726 /nfs/dbraw/zinc/78/47/26/874784726.db2.gz CAGIUPBPJDNJQA-SFHVURJKSA-N 1 2 377.488 3.833 20 30 GHEDLO CS(=O)(=O)C[C@H]1CCCC[N@@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000449528865 875005494 /nfs/dbraw/zinc/00/54/94/875005494.db2.gz SOIYZVLHTALFEF-OAQYLSRUSA-N 1 2 398.528 3.536 20 30 GHEDLO CS(=O)(=O)C[C@H]1CCCC[N@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000449528865 875005503 /nfs/dbraw/zinc/00/55/03/875005503.db2.gz SOIYZVLHTALFEF-OAQYLSRUSA-N 1 2 398.528 3.536 20 30 GHEDLO N#CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000785837502 876273010 /nfs/dbraw/zinc/27/30/10/876273010.db2.gz IRTYTWFFWCCXOP-MRXNPFEDSA-N 1 2 375.831 3.820 20 30 GHEDLO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000785837502 876273024 /nfs/dbraw/zinc/27/30/24/876273024.db2.gz IRTYTWFFWCCXOP-MRXNPFEDSA-N 1 2 375.831 3.820 20 30 GHEDLO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000785997244 876398114 /nfs/dbraw/zinc/39/81/14/876398114.db2.gz KGHDVNZSEIYFSO-LJQANCHMSA-N 1 2 377.488 3.596 20 30 GHEDLO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000785997244 876398130 /nfs/dbraw/zinc/39/81/30/876398130.db2.gz KGHDVNZSEIYFSO-LJQANCHMSA-N 1 2 377.488 3.596 20 30 GHEDLO Cc1cccc(C[NH+]2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)n1 ZINC000450659459 876743941 /nfs/dbraw/zinc/74/39/41/876743941.db2.gz QPSOCWWPXJOKSC-IBGZPJMESA-N 1 2 385.309 3.535 20 30 GHEDLO CC[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1F ZINC000610026661 877315969 /nfs/dbraw/zinc/31/59/69/877315969.db2.gz BNYSAVOMXDLNNP-NRFANRHFSA-N 1 2 398.457 3.815 20 30 GHEDLO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@@H+]3C[C@H](O)C[C@@H]3C)sc2C1 ZINC000530360760 877628187 /nfs/dbraw/zinc/62/81/87/877628187.db2.gz INBKNSASHJCBAF-RRFJBIMHSA-N 1 2 389.565 3.554 20 30 GHEDLO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@H+]3C[C@H](O)C[C@@H]3C)sc2C1 ZINC000530360760 877628199 /nfs/dbraw/zinc/62/81/99/877628199.db2.gz INBKNSASHJCBAF-RRFJBIMHSA-N 1 2 389.565 3.554 20 30 GHEDLO N#C[C@]1(c2ccccn2)CCC[N@@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000852327936 878244352 /nfs/dbraw/zinc/24/43/52/878244352.db2.gz WRSNUGCKBIDQLW-ZJSXRUAMSA-N 1 2 388.515 3.523 20 30 GHEDLO N#C[C@]1(c2ccccn2)CCC[N@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000852327936 878244370 /nfs/dbraw/zinc/24/43/70/878244370.db2.gz WRSNUGCKBIDQLW-ZJSXRUAMSA-N 1 2 388.515 3.523 20 30 GHEDLO Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000531320218 879608417 /nfs/dbraw/zinc/60/84/17/879608417.db2.gz DRQZETKIEIHNBH-MRXNPFEDSA-N 1 2 384.430 3.931 20 30 GHEDLO Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000531320218 879608422 /nfs/dbraw/zinc/60/84/22/879608422.db2.gz DRQZETKIEIHNBH-MRXNPFEDSA-N 1 2 384.430 3.931 20 30 GHEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+](CCOC)[C@H]2CC[C@H](C)C2)c1=S ZINC000790478157 879749559 /nfs/dbraw/zinc/74/95/59/879749559.db2.gz JWRQXKXYTWDGJW-IRXDYDNUSA-N 1 2 387.553 3.757 20 30 GHEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+](CCOC)[C@H]2CC[C@H](C)C2)c1=S ZINC000790478157 879749566 /nfs/dbraw/zinc/74/95/66/879749566.db2.gz JWRQXKXYTWDGJW-IRXDYDNUSA-N 1 2 387.553 3.757 20 30 GHEDLO N#Cc1ccc(N2CCC(Nc3ccccc3OCCn3cc[nH+]c3)CC2)cc1 ZINC000285903038 912493480 /nfs/dbraw/zinc/49/34/80/912493480.db2.gz BJXXXECRXJENGE-UHFFFAOYSA-N 1 2 387.487 3.915 20 30 GHEDLO Cc1cc(C(=O)C[N@@H+]2CCCN(c3ccccc3C#N)CC2)c(C)n1C1CC1 ZINC000531493763 879965570 /nfs/dbraw/zinc/96/55/70/879965570.db2.gz ZNDGBCVWIYUQTM-UHFFFAOYSA-N 1 2 376.504 3.707 20 30 GHEDLO Cc1cc(C(=O)C[N@H+]2CCCN(c3ccccc3C#N)CC2)c(C)n1C1CC1 ZINC000531493763 879965581 /nfs/dbraw/zinc/96/55/81/879965581.db2.gz ZNDGBCVWIYUQTM-UHFFFAOYSA-N 1 2 376.504 3.707 20 30 GHEDLO CCC[N@H+](CC(=O)N(CC)C[C@@H](C)C#N)Cc1ccccc1Br ZINC000531841413 880587890 /nfs/dbraw/zinc/58/78/90/880587890.db2.gz UEEIXKDHDSUCFB-HNNXBMFYSA-N 1 2 380.330 3.669 20 30 GHEDLO CCC[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)Cc1ccccc1Br ZINC000531841413 880587896 /nfs/dbraw/zinc/58/78/96/880587896.db2.gz UEEIXKDHDSUCFB-HNNXBMFYSA-N 1 2 380.330 3.669 20 30 GHEDLO C[C@@H]1C(=O)N(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)[C@@H]1c1ccccc1 ZINC000795713078 912639838 /nfs/dbraw/zinc/63/98/38/912639838.db2.gz BDPMUWHSNFNZEG-AOMKIAJQSA-N 1 2 393.462 3.718 20 30 GHEDLO CCN(C(=O)C[N@H+](CCOC)Cc1ccc(C#N)cc1)[C@@H](C)c1ccc(F)cc1 ZINC000532154346 881262517 /nfs/dbraw/zinc/26/25/17/881262517.db2.gz AGMDPXIHDNNSST-SFHVURJKSA-N 1 2 397.494 3.755 20 30 GHEDLO CCN(C(=O)C[N@@H+](CCOC)Cc1ccc(C#N)cc1)[C@@H](C)c1ccc(F)cc1 ZINC000532154346 881262525 /nfs/dbraw/zinc/26/25/25/881262525.db2.gz AGMDPXIHDNNSST-SFHVURJKSA-N 1 2 397.494 3.755 20 30 GHEDLO Cn1c[nH+]cc1CC(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000649227917 881327518 /nfs/dbraw/zinc/32/75/18/881327518.db2.gz SNHOBASROMLOAK-UHFFFAOYSA-N 1 2 383.267 3.891 20 30 GHEDLO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2ccccc2CC(F)(F)F)[C@@H](C#N)C1 ZINC000858591256 883220571 /nfs/dbraw/zinc/22/05/71/883220571.db2.gz OUTGXBJOTJAFOT-HOTGVXAUSA-N 1 2 383.414 3.640 20 30 GHEDLO C[C@@H]1CCCN(c2cc(N[C@H]3CCCN(c4ccc(C#N)cc4F)C3)[nH+]cn2)C1 ZINC000609463903 883225638 /nfs/dbraw/zinc/22/56/38/883225638.db2.gz XBPRSMXCJAPTHC-AEFFLSMTSA-N 1 2 394.498 3.805 20 30 GHEDLO C[C@@H]1CCCN(c2cc(N[C@H]3CCCN(c4ccc(C#N)cc4F)C3)nc[nH+]2)C1 ZINC000609463903 883225654 /nfs/dbraw/zinc/22/56/54/883225654.db2.gz XBPRSMXCJAPTHC-AEFFLSMTSA-N 1 2 394.498 3.805 20 30 GHEDLO N#Cc1ccc(OCCO[NH+]=C(N)c2ccc(OCc3ccccc3)cc2)cc1 ZINC000064430554 883353044 /nfs/dbraw/zinc/35/30/44/883353044.db2.gz VLTFUYWWYIVPDC-UHFFFAOYSA-N 1 2 387.439 3.853 20 30 GHEDLO N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)cn2)cc1 ZINC000609553834 883365862 /nfs/dbraw/zinc/36/58/62/883365862.db2.gz KXXAXIVUWTTZJJ-MRXNPFEDSA-N 1 2 388.431 3.880 20 30 GHEDLO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2nc(C(F)(F)F)ccc2C#N)cc1 ZINC000609668989 883514138 /nfs/dbraw/zinc/51/41/38/883514138.db2.gz KNUBWZQCQLQXLL-QGZVFWFLSA-N 1 2 390.409 3.766 20 30 GHEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000805756290 884086241 /nfs/dbraw/zinc/08/62/41/884086241.db2.gz XNHFGUAYMVKTJP-HXUWFJFHSA-N 1 2 385.305 3.847 20 30 GHEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000805756290 884086251 /nfs/dbraw/zinc/08/62/51/884086251.db2.gz XNHFGUAYMVKTJP-HXUWFJFHSA-N 1 2 385.305 3.847 20 30 GHEDLO C=CCOc1c(Cl)cc(C[NH2+]Cc2cc(C(F)(F)F)n(C)n2)cc1OC ZINC000898021123 884558888 /nfs/dbraw/zinc/55/88/88/884558888.db2.gz VFQXHFYAQGZDDD-UHFFFAOYSA-N 1 2 389.805 3.956 20 30 GHEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3ccc(F)c(Br)c3)C2)CC1 ZINC001137552109 884696219 /nfs/dbraw/zinc/69/62/19/884696219.db2.gz JPSIRYQTXIYGJQ-UHFFFAOYSA-N 1 2 397.288 3.809 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(Cl)c(Cl)c1)C2 ZINC001275281964 912962854 /nfs/dbraw/zinc/96/28/54/912962854.db2.gz KLDOHDBOOWZHGG-IBGZPJMESA-N 1 2 383.319 3.620 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C2 ZINC001275281964 912962860 /nfs/dbraw/zinc/96/28/60/912962860.db2.gz KLDOHDBOOWZHGG-IBGZPJMESA-N 1 2 383.319 3.620 20 30 GHEDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000495428538 885742604 /nfs/dbraw/zinc/74/26/04/885742604.db2.gz XTUDOOMGMVJXAK-AWEZNQCLSA-N 1 2 393.403 3.598 20 30 GHEDLO Cc1cc([N+](=O)[O-])ccc1N[NH+]=Cc1cc2ccccc2nc1N1CCOCC1 ZINC000807990210 885913217 /nfs/dbraw/zinc/91/32/17/885913217.db2.gz XQPZHRHBTHBOAV-UHFFFAOYSA-N 1 2 391.431 3.734 20 30 GHEDLO CCN(C(=O)CO[NH+]=C(N)c1ccc(F)c(C)c1)[C@H](C)c1ccc(F)cc1 ZINC000762708446 886742767 /nfs/dbraw/zinc/74/27/67/886742767.db2.gz BHCIQQUBQBSARM-CQSZACIVSA-N 1 2 375.419 3.520 20 30 GHEDLO CCO[C@@H](C)c1noc(CO[NH+]=C(N)c2ccc(OCc3ccccc3)cc2)n1 ZINC000120037741 887753046 /nfs/dbraw/zinc/75/30/46/887753046.db2.gz CCEAKPATKVLPOW-HNNXBMFYSA-N 1 2 396.447 3.583 20 30 GHEDLO Cc1cc(Br)c2c(c1)C(=O)/C(=C/c1ncc(C[NH+](C)C)s1)CO2 ZINC000794700134 887872971 /nfs/dbraw/zinc/87/29/71/887872971.db2.gz PENAXKKMXDPHAZ-IZZDOVSWSA-N 1 2 393.306 3.934 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2COC(=O)NC2CC2)c(Br)c1 ZINC000810040062 888124733 /nfs/dbraw/zinc/12/47/33/888124733.db2.gz LXRBOKRUUSRGJQ-INIZCTEOSA-N 1 2 392.297 3.564 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCCC[C@H]2COC(=O)NC2CC2)c(Br)c1 ZINC000810040062 888124737 /nfs/dbraw/zinc/12/47/37/888124737.db2.gz LXRBOKRUUSRGJQ-INIZCTEOSA-N 1 2 392.297 3.564 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3csc4ccccc34)CC2)cc1 ZINC000503341894 888431343 /nfs/dbraw/zinc/43/13/43/888431343.db2.gz JDCCJQYPXHARHH-UHFFFAOYSA-N 1 2 390.512 3.800 20 30 GHEDLO CC(=[NH+]NC(=S)Nc1cc(C)ccc1C)c1ccc(N2CCOCC2)cc1 ZINC000915912443 888552468 /nfs/dbraw/zinc/55/24/68/888552468.db2.gz NEYKUVKWNMNNAG-UHFFFAOYSA-N 1 2 382.533 3.851 20 30 GHEDLO CC[C@@H](C)c1ccc(NC(=O)CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000916149011 888785685 /nfs/dbraw/zinc/78/56/85/888785685.db2.gz ABEDTVUAMAGUCV-LJQANCHMSA-N 1 2 390.531 3.828 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000532768816 888874163 /nfs/dbraw/zinc/87/41/63/888874163.db2.gz ZVJCKHNPKVMFQB-INIZCTEOSA-N 1 2 396.878 3.501 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000532768816 888874176 /nfs/dbraw/zinc/87/41/76/888874176.db2.gz ZVJCKHNPKVMFQB-INIZCTEOSA-N 1 2 396.878 3.501 20 30 GHEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000810994729 889085597 /nfs/dbraw/zinc/08/55/97/889085597.db2.gz QOEGJKLLJHVANO-KNQAVFIVSA-N 1 2 386.417 3.579 20 30 GHEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000810994729 889085607 /nfs/dbraw/zinc/08/56/07/889085607.db2.gz QOEGJKLLJHVANO-KNQAVFIVSA-N 1 2 386.417 3.579 20 30 GHEDLO N#CCOc1ccc(Cl)cc1COC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000811326170 889444685 /nfs/dbraw/zinc/44/46/85/889444685.db2.gz LQRXDYSIXZVEDB-UHFFFAOYSA-N 1 2 395.846 3.773 20 30 GHEDLO CC(C)(C)OC(=O)NCC[N@H+](CCc1ccccc1)Cc1nc(C#N)cs1 ZINC000811504131 889696381 /nfs/dbraw/zinc/69/63/81/889696381.db2.gz RQUIMABNVGCOAK-UHFFFAOYSA-N 1 2 386.521 3.584 20 30 GHEDLO CC(C)(C)OC(=O)NCC[N@@H+](CCc1ccccc1)Cc1nc(C#N)cs1 ZINC000811504131 889696382 /nfs/dbraw/zinc/69/63/82/889696382.db2.gz RQUIMABNVGCOAK-UHFFFAOYSA-N 1 2 386.521 3.584 20 30 GHEDLO COc1cc(C[N@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)ccc1SC ZINC000173586523 889741780 /nfs/dbraw/zinc/74/17/80/889741780.db2.gz GYQNJVRCAJFTCI-UHFFFAOYSA-N 1 2 380.473 3.971 20 30 GHEDLO COc1cc(C[N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)ccc1SC ZINC000173586523 889741789 /nfs/dbraw/zinc/74/17/89/889741789.db2.gz GYQNJVRCAJFTCI-UHFFFAOYSA-N 1 2 380.473 3.971 20 30 GHEDLO CC[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000454820013 889772348 /nfs/dbraw/zinc/77/23/48/889772348.db2.gz QFOIKKJLXDXTBX-PYNVLSHCSA-N 1 2 394.441 3.621 20 30 GHEDLO CC[N@H+]1CC[C@@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000454820013 889772358 /nfs/dbraw/zinc/77/23/58/889772358.db2.gz QFOIKKJLXDXTBX-PYNVLSHCSA-N 1 2 394.441 3.621 20 30 GHEDLO CCc1ccc([C@H]2C[C@H](C)CC[N@@H+]2CCS(=O)(=O)c2cccc(C#N)c2)o1 ZINC000533148860 889890275 /nfs/dbraw/zinc/89/02/75/889890275.db2.gz MTKSLSFHCJINDU-OXQOHEQNSA-N 1 2 386.517 3.961 20 30 GHEDLO CCc1ccc([C@H]2C[C@H](C)CC[N@H+]2CCS(=O)(=O)c2cccc(C#N)c2)o1 ZINC000533148860 889890281 /nfs/dbraw/zinc/89/02/81/889890281.db2.gz MTKSLSFHCJINDU-OXQOHEQNSA-N 1 2 386.517 3.961 20 30 GHEDLO CC[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(Cl)c1O ZINC000287619279 913448132 /nfs/dbraw/zinc/44/81/32/913448132.db2.gz JTJLQRUOOSHZIJ-OALUTQOASA-N 1 2 383.879 3.759 20 30 GHEDLO N#CC[C@H](C(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1)c1ccccc1 ZINC001133232677 890508186 /nfs/dbraw/zinc/50/81/86/890508186.db2.gz AWFJDFQFRDTFJA-QFIPXVFZSA-N 1 2 384.483 3.902 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(OCCc3ccccc3)CC2)c(C#N)c1C ZINC000533436200 890559804 /nfs/dbraw/zinc/55/98/04/890559804.db2.gz XUCNCBMPZFJMCV-QGZVFWFLSA-N 1 2 395.503 3.819 20 30 GHEDLO C#C[C@@H](NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1 ZINC000812924383 891129003 /nfs/dbraw/zinc/12/90/03/891129003.db2.gz KGDWNFQKMFPSKX-LLGFUMIMSA-N 1 2 395.478 3.931 20 30 GHEDLO C#C[C@@H](NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1 ZINC000812924383 891129010 /nfs/dbraw/zinc/12/90/10/891129010.db2.gz KGDWNFQKMFPSKX-LLGFUMIMSA-N 1 2 395.478 3.931 20 30 GHEDLO C=C(C)COc1cc(C[N@@H+]2CCC[C@H]2C(=O)NCc2ccco2)ccc1OC ZINC000128270414 891541078 /nfs/dbraw/zinc/54/10/78/891541078.db2.gz FNEZOIBQJHJBQK-IBGZPJMESA-N 1 2 384.476 3.524 20 30 GHEDLO C=C(C)COc1cc(C[N@H+]2CCC[C@H]2C(=O)NCc2ccco2)ccc1OC ZINC000128270414 891541095 /nfs/dbraw/zinc/54/10/95/891541095.db2.gz FNEZOIBQJHJBQK-IBGZPJMESA-N 1 2 384.476 3.524 20 30 GHEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000130306318 891933239 /nfs/dbraw/zinc/93/32/39/891933239.db2.gz RASMTQPRRWYJAL-UHFFFAOYSA-N 1 2 391.393 3.628 20 30 GHEDLO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)ccc1OC ZINC000813859031 892030107 /nfs/dbraw/zinc/03/01/07/892030107.db2.gz FIEVFGZARZQEFM-XLIONFOSSA-N 1 2 383.496 3.905 20 30 GHEDLO N#Cc1csc(C[NH+]2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)n1 ZINC000814176755 892335678 /nfs/dbraw/zinc/33/56/78/892335678.db2.gz TYDGLKUGKKUKNJ-OALUTQOASA-N 1 2 396.516 3.542 20 30 GHEDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C1 ZINC000455773283 893260053 /nfs/dbraw/zinc/26/00/53/893260053.db2.gz PFADXCKEXIQHAT-INIZCTEOSA-N 1 2 395.507 3.956 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC3(CC2)OCCc2ccccc23)c(C#N)c1C ZINC000459516582 893681446 /nfs/dbraw/zinc/68/14/46/893681446.db2.gz HXTJGNGMQYPZJD-INIZCTEOSA-N 1 2 393.487 3.659 20 30 GHEDLO COc1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3OC)C2)cc1OCCCC#N ZINC000877754591 893791865 /nfs/dbraw/zinc/79/18/65/893791865.db2.gz LQCCWOVQUHIXME-HSZRJFAPSA-N 1 2 396.487 3.960 20 30 GHEDLO COc1ccc(C[N@H+]2CCO[C@@H](c3ccccc3OC)C2)cc1OCCCC#N ZINC000877754591 893791867 /nfs/dbraw/zinc/79/18/67/893791867.db2.gz LQCCWOVQUHIXME-HSZRJFAPSA-N 1 2 396.487 3.960 20 30 GHEDLO C[C@H]1CCc2nc(NC(=O)[C@H](c3ccc(Cl)cc3)[NH+](C)C)c(C#N)cc2C1 ZINC001135108663 894018282 /nfs/dbraw/zinc/01/82/82/894018282.db2.gz OZTOQNLMPFWBGH-DJJJIMSYSA-N 1 2 382.895 3.973 20 30 GHEDLO N#Cc1ccc(CNc2ccc[nH+]c2N2CCC(O)CC2)c(C(F)(F)F)c1 ZINC000564527387 895054045 /nfs/dbraw/zinc/05/40/45/895054045.db2.gz CIOAOOFOBQVRHR-UHFFFAOYSA-N 1 2 376.382 3.545 20 30 GHEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000476087156 895146585 /nfs/dbraw/zinc/14/65/85/895146585.db2.gz UEESPWQLWCXAKU-OAQYLSRUSA-N 1 2 377.488 3.853 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@H](c3nccs3)C2)c1C#N ZINC000880319106 895634680 /nfs/dbraw/zinc/63/46/80/895634680.db2.gz TYQFSYCMMJVRGL-INIZCTEOSA-N 1 2 397.548 3.976 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC[C@H](c3nccs3)C2)c1C#N ZINC000880319106 895634686 /nfs/dbraw/zinc/63/46/86/895634686.db2.gz TYQFSYCMMJVRGL-INIZCTEOSA-N 1 2 397.548 3.976 20 30 GHEDLO C=C(Cl)CSc1nc(C)c(CC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)s1 ZINC000819430098 896730586 /nfs/dbraw/zinc/73/05/86/896730586.db2.gz ZRLHIKKNFGVHTF-ZDUSSCGKSA-N 1 2 396.969 3.588 20 30 GHEDLO COc1cccc2c1[nH+]cc(C)c2N1CCN(c2snc(C)c2C#N)CC1 ZINC000567039033 896823350 /nfs/dbraw/zinc/82/33/50/896823350.db2.gz XBBGEZHOKXKIKP-UHFFFAOYSA-N 1 2 379.489 3.515 20 30 GHEDLO N#Cc1cc(Br)ccc1C[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000805749624 897362410 /nfs/dbraw/zinc/36/24/10/897362410.db2.gz ZOWAHVJAHJHXLD-GOSISDBHSA-N 1 2 375.241 3.553 20 30 GHEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000805749624 897362420 /nfs/dbraw/zinc/36/24/20/897362420.db2.gz ZOWAHVJAHJHXLD-GOSISDBHSA-N 1 2 375.241 3.553 20 30 GHEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000567737942 897369302 /nfs/dbraw/zinc/36/93/02/897369302.db2.gz JZRIWIJMNFOTGV-UZLBHIALSA-N 1 2 380.492 3.989 20 30 GHEDLO CC(C)CC1(C)CC[NH+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000289457165 914196929 /nfs/dbraw/zinc/19/69/29/914196929.db2.gz PTETUDBSRUEBBQ-QGZVFWFLSA-N 1 2 380.492 3.660 20 30 GHEDLO CCCOc1ccccc1NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000043452582 898573277 /nfs/dbraw/zinc/57/32/77/898573277.db2.gz HDDXQYJUAVLPPY-UHFFFAOYSA-N 1 2 378.476 3.697 20 30 GHEDLO C[C@H](c1cccc(NC(=O)[C@H](C#N)CCc2ccccc2)c1)[NH+]1CCOCC1 ZINC001136717224 899019373 /nfs/dbraw/zinc/01/93/73/899019373.db2.gz FUJMQBOEPBBZBB-NQIIRXRSSA-N 1 2 377.488 3.791 20 30 GHEDLO C#CC[N@H+]1CCCN(C(=O)[C@H](Sc2ccc(F)cc2)c2ccccc2)CC1 ZINC001136862878 899548849 /nfs/dbraw/zinc/54/88/49/899548849.db2.gz FYZVWYXPIMZBOS-OAQYLSRUSA-N 1 2 382.504 3.827 20 30 GHEDLO C#CC[N@@H+]1CCCN(C(=O)[C@H](Sc2ccc(F)cc2)c2ccccc2)CC1 ZINC001136862878 899548858 /nfs/dbraw/zinc/54/88/58/899548858.db2.gz FYZVWYXPIMZBOS-OAQYLSRUSA-N 1 2 382.504 3.827 20 30 GHEDLO CCCCCN(C)c1ccc(F)cc1C[NH+]1CCC(C#N)(C(=O)OC)CC1 ZINC000824866855 899844906 /nfs/dbraw/zinc/84/49/06/899844906.db2.gz IOUYQKIBVKLYTP-UHFFFAOYSA-N 1 2 375.488 3.731 20 30 GHEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)Cc2cccc(OCC#N)c2)CC1 ZINC000134329584 899963728 /nfs/dbraw/zinc/96/37/28/899963728.db2.gz HLQYBISOUYIOKM-QGZVFWFLSA-N 1 2 397.906 3.690 20 30 GHEDLO CN1C(=O)[C@H](c2cccnc2)CC12CC[NH+](Cc1c(Cl)cccc1C#N)CC2 ZINC001143723460 900442078 /nfs/dbraw/zinc/44/20/78/900442078.db2.gz FRTKDAWNJRQKMV-SFHVURJKSA-N 1 2 394.906 3.587 20 30 GHEDLO O=C(c1ccc(C(F)(F)F)c(F)c1F)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001186469124 914559159 /nfs/dbraw/zinc/55/91/59/914559159.db2.gz KORDEKJXHBNEKV-GFCCVEGCSA-N 1 2 398.322 3.929 20 30 GHEDLO C[C@@H](CC(=O)OC[C@H](C#N)Cc1cc(Br)ccc1F)n1cc[nH+]c1 ZINC000845593028 902274698 /nfs/dbraw/zinc/27/46/98/902274698.db2.gz UITYFWRZSKPQDA-STQMWFEESA-N 1 2 394.244 3.661 20 30 GHEDLO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3c(F)cc(O)cc3F)CC2)C1 ZINC001144541157 902350853 /nfs/dbraw/zinc/35/08/53/902350853.db2.gz CPCCLQWBPMDMGY-UHFFFAOYSA-N 1 2 380.435 3.671 20 30 GHEDLO C[C@H](c1cccc(NC(=O)CSc2ccc(C#N)cc2)c1)[NH+]1CCOCC1 ZINC000264314750 903014787 /nfs/dbraw/zinc/01/47/87/903014787.db2.gz ZKFVPMLLBAHSGK-MRXNPFEDSA-N 1 2 381.501 3.682 20 30 GHEDLO C[C@@H]1CN(c2ccc(NCc3ccc(N(C)CCC#N)cc3)c[nH+]2)C[C@@H](C)O1 ZINC000772939786 903039297 /nfs/dbraw/zinc/03/92/97/903039297.db2.gz LPRFDTTWBOCVRS-QZTJIDSGSA-N 1 2 379.508 3.657 20 30 GHEDLO N#Cc1ccncc1N1CC[NH+](Cc2cnc(-c3c(F)cccc3F)s2)CC1 ZINC000577696204 903064875 /nfs/dbraw/zinc/06/48/75/903064875.db2.gz OCVNFYCAXHDBSR-UHFFFAOYSA-N 1 2 397.454 3.677 20 30 GHEDLO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3ccc(Br)cn3)CC2)c1 ZINC000264756491 903360475 /nfs/dbraw/zinc/36/04/75/903360475.db2.gz HMWRWNGJWRMKSM-UHFFFAOYSA-N 1 2 399.292 3.566 20 30 GHEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(OC)cc1 ZINC000578450851 903855362 /nfs/dbraw/zinc/85/53/62/903855362.db2.gz NDWQLVHEDABIQM-SIKLNZKXSA-N 1 2 390.487 3.655 20 30 GHEDLO CC[C@H](CC#N)[NH2+]CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(OC)cc1 ZINC000578450849 903855680 /nfs/dbraw/zinc/85/56/80/903855680.db2.gz NDWQLVHEDABIQM-DENIHFKCSA-N 1 2 390.487 3.655 20 30 GHEDLO C=C[C@@H]1C[C@]1([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C1)C(=O)OCC ZINC001171588671 904815307 /nfs/dbraw/zinc/81/53/07/904815307.db2.gz HFKVSDQYSCKKNO-PEOGOYOCSA-N 1 2 394.556 3.898 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000174582741 905302738 /nfs/dbraw/zinc/30/27/38/905302738.db2.gz VVNLQDOSBJQQGE-HNNXBMFYSA-N 1 2 386.883 3.511 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000174582741 905302754 /nfs/dbraw/zinc/30/27/54/905302754.db2.gz VVNLQDOSBJQQGE-HNNXBMFYSA-N 1 2 386.883 3.511 20 30 GHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ccc(CC#N)cc1 ZINC000174714476 905330401 /nfs/dbraw/zinc/33/04/01/905330401.db2.gz JMTBMRYFHSNWOX-UHFFFAOYSA-N 1 2 377.492 3.918 20 30 GHEDLO CCCCCCCC[C@H](CC)[N@H+]1Cc2c(n(C)nc2C(=O)N2CCOCC2)C1 ZINC001172505008 905602090 /nfs/dbraw/zinc/60/20/90/905602090.db2.gz IRZISVYPNBVBPM-SFHVURJKSA-N 1 2 390.572 3.737 20 30 GHEDLO CCCCCCCC[C@H](CC)[N@@H+]1Cc2c(n(C)nc2C(=O)N2CCOCC2)C1 ZINC001172505008 905602098 /nfs/dbraw/zinc/60/20/98/905602098.db2.gz IRZISVYPNBVBPM-SFHVURJKSA-N 1 2 390.572 3.737 20 30 GHEDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000177730231 906206416 /nfs/dbraw/zinc/20/64/16/906206416.db2.gz BRGXJAQREDFNJR-NRRJATNASA-N 1 2 389.908 3.581 20 30 GHEDLO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000177730231 906206435 /nfs/dbraw/zinc/20/64/35/906206435.db2.gz BRGXJAQREDFNJR-NRRJATNASA-N 1 2 389.908 3.581 20 30 GHEDLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180959626 906883115 /nfs/dbraw/zinc/88/31/15/906883115.db2.gz FKKKYNWRRDVZBK-UHFFFAOYSA-N 1 2 375.472 3.635 20 30 GHEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2sc(-c3ccccc3)nc2C(F)F)C1 ZINC001177759662 908740990 /nfs/dbraw/zinc/74/09/90/908740990.db2.gz SYOJUWVYCFXXNY-AWEZNQCLSA-N 1 2 375.444 3.575 20 30 GHEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2sc(-c3ccccc3)nc2C(F)F)C1 ZINC001177759662 908740999 /nfs/dbraw/zinc/74/09/99/908740999.db2.gz SYOJUWVYCFXXNY-AWEZNQCLSA-N 1 2 375.444 3.575 20 30 GHEDLO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635471583 909262028 /nfs/dbraw/zinc/26/20/28/909262028.db2.gz JLZDSEGYZURGPR-ZIAGYGMSSA-N 1 2 378.245 3.630 20 30 GHEDLO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635471583 909262054 /nfs/dbraw/zinc/26/20/54/909262054.db2.gz JLZDSEGYZURGPR-ZIAGYGMSSA-N 1 2 378.245 3.630 20 30 GHEDLO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3nccn3Cc3ccccc3)CC2)c1 ZINC000299656235 921554813 /nfs/dbraw/zinc/55/48/13/921554813.db2.gz QKZVTXPVCYEPKK-UHFFFAOYSA-N 1 2 399.498 3.654 20 30 GHEDLO C[C@H](c1cccc(NC(=O)NC2(c3cccc(C#N)c3)CC2)c1)[NH+]1CCOCC1 ZINC000269592471 910312496 /nfs/dbraw/zinc/31/24/96/910312496.db2.gz GTDVEZRFCVTVPA-QGZVFWFLSA-N 1 2 390.487 3.762 20 30 GHEDLO CCS[C@@H]1CCC[C@@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])C1 ZINC000247339799 911173550 /nfs/dbraw/zinc/17/35/50/911173550.db2.gz NQDAZEUFEPDGIC-HUUCEWRRSA-N 1 2 384.549 3.710 20 30 GHEDLO C[N@H+](Cc1ccccc1)[C@@H](C(=O)N(O)C(=N)c1ccccc1N)c1ccccc1 ZINC001182248095 911341572 /nfs/dbraw/zinc/34/15/72/911341572.db2.gz YGLLBPMSODTNMS-OAQYLSRUSA-N 1 2 388.471 3.685 20 30 GHEDLO C[N@@H+](Cc1ccccc1)[C@@H](C(=O)N(O)C(=N)c1ccccc1N)c1ccccc1 ZINC001182248095 911341593 /nfs/dbraw/zinc/34/15/93/911341593.db2.gz YGLLBPMSODTNMS-OAQYLSRUSA-N 1 2 388.471 3.685 20 30 GHEDLO N#CCCCN1CCC2(CC[NH+](Cc3c(Cl)ccnc3Cl)CC2)C1=O ZINC001275598160 915203691 /nfs/dbraw/zinc/20/36/91/915203691.db2.gz MTVNYZAIKVZEIX-UHFFFAOYSA-N 1 2 381.307 3.507 20 30 GHEDLO N#CCCCNC(=O)[C@H]1CC12CC[NH+](Cc1c(F)cc(Cl)cc1F)CC2 ZINC001275638049 915523486 /nfs/dbraw/zinc/52/34/86/915523486.db2.gz ZIMUVEWMKYHMPM-OAHLLOKOSA-N 1 2 381.854 3.640 20 30 GHEDLO CC(C)[C@H]1C[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CCCO1 ZINC000293009957 915948708 /nfs/dbraw/zinc/94/87/08/915948708.db2.gz DOAXOPXLEUYLEC-FUHWJXTLSA-N 1 2 375.538 3.766 20 30 GHEDLO CC(C)[C@H]1C[N@@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CCCO1 ZINC000293009957 915948718 /nfs/dbraw/zinc/94/87/18/915948718.db2.gz DOAXOPXLEUYLEC-FUHWJXTLSA-N 1 2 375.538 3.766 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)N2CCC(CC#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000543778926 916089188 /nfs/dbraw/zinc/08/91/88/916089188.db2.gz CQJZPQROWFCCLB-OALUTQOASA-N 1 2 392.906 3.950 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)N2CCC(CC#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000543778926 916089201 /nfs/dbraw/zinc/08/92/01/916089201.db2.gz CQJZPQROWFCCLB-OALUTQOASA-N 1 2 392.906 3.950 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(Cc3nc([C@H]4C[C@H]4C)no3)CC2)c1C ZINC000649782977 916407356 /nfs/dbraw/zinc/40/73/56/916407356.db2.gz VIJXGRIBPQQXFQ-BEFAXECRSA-N 1 2 396.535 3.935 20 30 GHEDLO C=CCCCCCCCCC[NH+]1CC2(C1)COCC(=O)N2CC(F)(F)F ZINC001275802894 917545023 /nfs/dbraw/zinc/54/50/23/917545023.db2.gz BKMHGTDFJTTWFZ-UHFFFAOYSA-N 1 2 376.463 3.769 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000296102771 917851408 /nfs/dbraw/zinc/85/14/08/917851408.db2.gz XKBPBVCELCRCQP-SFHVURJKSA-N 1 2 390.487 3.515 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCC=C(c2cccnc2)C1 ZINC000296102771 917851417 /nfs/dbraw/zinc/85/14/17/917851417.db2.gz XKBPBVCELCRCQP-SFHVURJKSA-N 1 2 390.487 3.515 20 30 GHEDLO Cc1nsc(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)c1C#N ZINC000297410830 919303420 /nfs/dbraw/zinc/30/34/20/919303420.db2.gz LKPUCFPJZHZWGW-IRXDYDNUSA-N 1 2 378.461 3.570 20 30 GHEDLO CC[C@@H]1c2ccccc2CC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000114492692 919391729 /nfs/dbraw/zinc/39/17/29/919391729.db2.gz SNCQVUOCHXVYMH-OAQYLSRUSA-N 1 2 385.471 3.692 20 30 GHEDLO CC[C@@H]1c2ccccc2CC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000114492692 919391742 /nfs/dbraw/zinc/39/17/42/919391742.db2.gz SNCQVUOCHXVYMH-OAQYLSRUSA-N 1 2 385.471 3.692 20 30 GHEDLO COc1ccccc1Oc1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000115599975 919457167 /nfs/dbraw/zinc/45/71/67/919457167.db2.gz JYVUGBJEVKENPS-JOCHJYFZSA-N 1 2 387.439 3.675 20 30 GHEDLO C=C[C@@H](CC(=O)N1CCC[C@@H]([N@H+](C)Cc2noc(C)n2)CC1)c1ccccc1 ZINC000364697920 919868408 /nfs/dbraw/zinc/86/84/08/919868408.db2.gz PSGSBBYQKMRMDC-AZUAARDMSA-N 1 2 382.508 3.551 20 30 GHEDLO C=C[C@@H](CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2noc(C)n2)CC1)c1ccccc1 ZINC000364697920 919868417 /nfs/dbraw/zinc/86/84/17/919868417.db2.gz PSGSBBYQKMRMDC-AZUAARDMSA-N 1 2 382.508 3.551 20 30 GHEDLO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)c1 ZINC000298864178 921004785 /nfs/dbraw/zinc/00/47/85/921004785.db2.gz PVIPPPPCPFXNKE-AZUAARDMSA-N 1 2 386.455 3.657 20 30 GHEDLO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)c1 ZINC000298864178 921004797 /nfs/dbraw/zinc/00/47/97/921004797.db2.gz PVIPPPPCPFXNKE-AZUAARDMSA-N 1 2 386.455 3.657 20 30 GHEDLO C=CCCC[N@@H+](CC)Cn1nc(-c2cnccn2)n(Cc2ccco2)c1=S ZINC000902668711 922387313 /nfs/dbraw/zinc/38/73/13/922387313.db2.gz DYUNKPVQWSVFGR-UHFFFAOYSA-N 1 2 384.509 3.758 20 30 GHEDLO C=CCCC[N@H+](CC)Cn1nc(-c2cnccn2)n(Cc2ccco2)c1=S ZINC000902668711 922387329 /nfs/dbraw/zinc/38/73/29/922387329.db2.gz DYUNKPVQWSVFGR-UHFFFAOYSA-N 1 2 384.509 3.758 20 30 GHEDLO Cc1cccc2[nH+]cc(/C=C\C(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)n21 ZINC000748997269 923978940 /nfs/dbraw/zinc/97/89/40/923978940.db2.gz ICFNAXWCJWSLCE-FPLPWBNLSA-N 1 2 380.360 3.972 20 30 GHEDLO N#Cc1nc(NCc2cc[nH+]c(N3CCCCCC3)c2)ccc1C(F)(F)F ZINC000409722665 924915299 /nfs/dbraw/zinc/91/52/99/924915299.db2.gz PNMHZUIFFWDZTQ-UHFFFAOYSA-N 1 2 375.398 3.781 20 30 GHEDLO COc1cccc(NC2CC[NH+](CC(=O)Nc3sc(C)c(C)c3C#N)CC2)c1 ZINC000371886053 924948135 /nfs/dbraw/zinc/94/81/35/924948135.db2.gz OBBARXXWADDMLK-UHFFFAOYSA-N 1 2 398.532 3.760 20 30 GHEDLO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)Cc1occc1C ZINC000412025287 927013140 /nfs/dbraw/zinc/01/31/40/927013140.db2.gz HZYJPQLMZQLFFK-UHFFFAOYSA-N 1 2 394.475 3.980 20 30 GHEDLO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)Cc1occc1C ZINC000412025287 927013157 /nfs/dbraw/zinc/01/31/57/927013157.db2.gz HZYJPQLMZQLFFK-UHFFFAOYSA-N 1 2 394.475 3.980 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)c1C ZINC000749476895 927123728 /nfs/dbraw/zinc/12/37/28/927123728.db2.gz ZGIYVWOORSJNDZ-CRAIPNDOSA-N 1 2 389.540 3.851 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)c1C ZINC000749476895 927123733 /nfs/dbraw/zinc/12/37/33/927123733.db2.gz ZGIYVWOORSJNDZ-CRAIPNDOSA-N 1 2 389.540 3.851 20 30 GHEDLO NC(=[NH+]OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(F)cc1 ZINC000750825044 927877684 /nfs/dbraw/zinc/87/76/84/927877684.db2.gz HEMRVDGYKXTPAP-UHFFFAOYSA-N 1 2 389.736 3.774 20 30 GHEDLO Cc1cc(-c2nc(Cc3cn4cccc(C)c4[nH+]3)no2)nn1-c1cccc(C#N)c1 ZINC000544639175 929377244 /nfs/dbraw/zinc/37/72/44/929377244.db2.gz BJFWRXKNGNJDHO-UHFFFAOYSA-N 1 2 395.426 3.649 20 30 GHEDLO C#CC[C@@H](NC(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1)c1ccccc1 ZINC000757777626 929796677 /nfs/dbraw/zinc/79/66/77/929796677.db2.gz HFTAUDVZULETEC-AUSIDOKSSA-N 1 2 391.515 3.848 20 30 GHEDLO Cc1cc(Br)cn2cc(CCNC(=O)c3ccc(C#N)cc3C)[nH+]c12 ZINC000546062207 929817973 /nfs/dbraw/zinc/81/79/73/929817973.db2.gz NBSRJLKSIVYXGK-UHFFFAOYSA-N 1 2 397.276 3.558 20 30 GHEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000469446325 929899661 /nfs/dbraw/zinc/89/96/61/929899661.db2.gz NIHSFWNSMVVNEU-BTYIYWSLSA-N 1 2 375.463 3.887 20 30 GHEDLO Cc1cccc(OCCO[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)c1 ZINC000759759656 930481022 /nfs/dbraw/zinc/48/10/22/930481022.db2.gz QUYLEMMCLHGPIM-UHFFFAOYSA-N 1 2 377.444 3.685 20 30 GHEDLO CCCC[C@H](ON=C(C)C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000780982202 930660919 /nfs/dbraw/zinc/66/09/19/930660919.db2.gz ZVVSOLBRECPNGI-GBESFXJTSA-N 1 2 381.467 3.797 20 30 GHEDLO CCCC[C@H](ON=C(C)C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000780982202 930660932 /nfs/dbraw/zinc/66/09/32/930660932.db2.gz ZVVSOLBRECPNGI-GBESFXJTSA-N 1 2 381.467 3.797 20 30 GHEDLO Cc1nc2ccccn2c1C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471015710 931096609 /nfs/dbraw/zinc/09/66/09/931096609.db2.gz ZBKSXYSHRIVHMY-LJQANCHMSA-N 1 2 379.895 3.679 20 30 GHEDLO C=CCS(=O)(=O)CC[NH2+][C@@H](c1ccccc1)c1ccccc1Br ZINC000783532588 931573941 /nfs/dbraw/zinc/57/39/41/931573941.db2.gz SBZAPWAEIGIDAG-SFHVURJKSA-N 1 2 394.334 3.729 20 30 GHEDLO C[C@@H]1COCCN1c1ccc([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC000796927480 932111106 /nfs/dbraw/zinc/11/11/06/932111106.db2.gz VRVXRRABDHFHHJ-GOSISDBHSA-N 1 2 376.504 3.864 20 30 GHEDLO N#Cc1ccncc1N1CC[NH+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC1 ZINC000562362324 934837076 /nfs/dbraw/zinc/83/70/76/934837076.db2.gz MPXDWVZAPJHUSX-UHFFFAOYSA-N 1 2 397.482 3.528 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[C@H](c2ccccc2OC)C1 ZINC001122440924 934870194 /nfs/dbraw/zinc/87/01/94/934870194.db2.gz MONXQAFDQKWICI-PKOBYXMFSA-N 1 2 381.524 3.623 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[C@H](c2ccccc2OC)C1 ZINC001122440924 934870197 /nfs/dbraw/zinc/87/01/97/934870197.db2.gz MONXQAFDQKWICI-PKOBYXMFSA-N 1 2 381.524 3.623 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1Cc2ccc(C(C)=O)cc2C1 ZINC001122537580 934893215 /nfs/dbraw/zinc/89/32/15/934893215.db2.gz XGZYLLRKYXFWBP-FQEVSTJZSA-N 1 2 379.508 3.734 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1Cc2ccc(C(C)=O)cc2C1 ZINC001122537580 934893222 /nfs/dbraw/zinc/89/32/22/934893222.db2.gz XGZYLLRKYXFWBP-FQEVSTJZSA-N 1 2 379.508 3.734 20 30 GHEDLO C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC[N@@H+]2Cc2ccccc2)n1CC1CC1 ZINC001123582866 935229691 /nfs/dbraw/zinc/22/96/91/935229691.db2.gz UFMMISRELNBBFU-FXAWDEMLSA-N 1 2 378.524 3.764 20 30 GHEDLO C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC[N@H+]2Cc2ccccc2)n1CC1CC1 ZINC001123582866 935229696 /nfs/dbraw/zinc/22/96/96/935229696.db2.gz UFMMISRELNBBFU-FXAWDEMLSA-N 1 2 378.524 3.764 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCC(O)(c3ccccc3F)CC2)c(Br)c1 ZINC001137637036 935651715 /nfs/dbraw/zinc/65/17/15/935651715.db2.gz XLHAPEKQCAGXHQ-UHFFFAOYSA-N 1 2 389.268 3.943 20 30 GHEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)cc1 ZINC000468110113 1015277534 /nfs/dbraw/zinc/27/75/34/1015277534.db2.gz UETQOZPRJXVYPE-QFIPXVFZSA-N 1 2 389.499 3.714 20 30 GHEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)cc1 ZINC000468110113 1015277543 /nfs/dbraw/zinc/27/75/43/1015277543.db2.gz UETQOZPRJXVYPE-QFIPXVFZSA-N 1 2 389.499 3.714 20 30 GHEDLO C[N@H+](CC(=O)Nc1ccccc1Br)Cc1ccc(F)c(C#N)c1 ZINC000468267363 1015528124 /nfs/dbraw/zinc/52/81/24/1015528124.db2.gz BHXSNBIMWLQZBJ-UHFFFAOYSA-N 1 2 376.229 3.530 20 30 GHEDLO C[N@@H+](CC(=O)Nc1ccccc1Br)Cc1ccc(F)c(C#N)c1 ZINC000468267363 1015528133 /nfs/dbraw/zinc/52/81/33/1015528133.db2.gz BHXSNBIMWLQZBJ-UHFFFAOYSA-N 1 2 376.229 3.530 20 30 GHEDLO N#Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)ccc1F ZINC000468269077 1015529731 /nfs/dbraw/zinc/52/97/31/1015529731.db2.gz CAWGCYADDDDNES-GOSISDBHSA-N 1 2 377.419 3.838 20 30 GHEDLO N#Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)ccc1F ZINC000468269077 1015529743 /nfs/dbraw/zinc/52/97/43/1015529743.db2.gz CAWGCYADDDDNES-GOSISDBHSA-N 1 2 377.419 3.838 20 30 GHEDLO N#Cc1c(O)ccc(OC2C[NH+](C(c3ccccc3)c3ccccc3)C2)c1C#N ZINC001227620208 1032488034 /nfs/dbraw/zinc/48/80/34/1032488034.db2.gz YTEZZUKTUHQHFT-UHFFFAOYSA-N 1 2 381.435 3.988 20 30 GHEDLO Cc1nc(O[C@@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(C#N)c(C)c1Cl ZINC001227828570 1032637524 /nfs/dbraw/zinc/63/75/24/1032637524.db2.gz RZIBFUGCBXHJKD-QFBILLFUSA-N 1 2 385.895 3.892 20 30 GHEDLO Cc1nc(O[C@@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(C#N)c(C)c1Cl ZINC001227828570 1032637533 /nfs/dbraw/zinc/63/75/33/1032637533.db2.gz RZIBFUGCBXHJKD-QFBILLFUSA-N 1 2 385.895 3.892 20 30 GHEDLO C=CCOC[C@H]1C[N@@H+](Cc2c(C)[nH]c3ccccc32)Cc2nnn(CC3CC3)c21 ZINC001204291115 1032733338 /nfs/dbraw/zinc/73/33/38/1032733338.db2.gz XAQUYARTCXVGMK-GOSISDBHSA-N 1 2 391.519 3.780 20 30 GHEDLO C=CCOC[C@H]1C[N@H+](Cc2c(C)[nH]c3ccccc32)Cc2nnn(CC3CC3)c21 ZINC001204291115 1032733349 /nfs/dbraw/zinc/73/33/49/1032733349.db2.gz XAQUYARTCXVGMK-GOSISDBHSA-N 1 2 391.519 3.780 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CCO[C@]2(CCC[C@H]2COCc2cccnc2)C1 ZINC001204367304 1032808493 /nfs/dbraw/zinc/80/84/93/1032808493.db2.gz GEUJVRFULMDKQT-XZOQPEGZSA-N 1 2 377.488 3.541 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CCO[C@]2(CCC[C@H]2COCc2cccnc2)C1 ZINC001204367304 1032808513 /nfs/dbraw/zinc/80/85/13/1032808513.db2.gz GEUJVRFULMDKQT-XZOQPEGZSA-N 1 2 377.488 3.541 20 30 GHEDLO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000635633608 1020987198 /nfs/dbraw/zinc/98/71/98/1020987198.db2.gz YMVBRHJTJRZRGB-CIUDSAMLSA-N 1 2 397.241 3.576 20 30 GHEDLO C[C@@H]([NH2+][C@H](C)c1cc2c(cc1Br)OCCO2)c1cc(C#N)ccn1 ZINC000902772829 1021536175 /nfs/dbraw/zinc/53/61/75/1021536175.db2.gz IXGBCLJOMUCGTD-VXGBXAGGSA-N 1 2 388.265 3.899 20 30 GHEDLO CCCCOc1ccc(C=NOCC(=O)Nc2ccn3cc[nH+]c3c2)cc1OC ZINC000834840385 1021539087 /nfs/dbraw/zinc/53/90/87/1021539087.db2.gz NAYQWGYIGKOUTB-UHFFFAOYSA-N 1 2 396.447 3.511 20 30 GHEDLO N#Cc1ccc(Cl)c(C[N@H+]2Cc3cncn3C[C@@H](COc3ccccn3)C2)c1 ZINC001140600928 1022047179 /nfs/dbraw/zinc/04/71/79/1022047179.db2.gz BAIOXDUICXRZLO-KRWDZBQOSA-N 1 2 393.878 3.514 20 30 GHEDLO N#Cc1ccc(Cl)c(C[N@@H+]2Cc3cncn3C[C@@H](COc3ccccn3)C2)c1 ZINC001140600928 1022047190 /nfs/dbraw/zinc/04/71/90/1022047190.db2.gz BAIOXDUICXRZLO-KRWDZBQOSA-N 1 2 393.878 3.514 20 30 GHEDLO CCc1ccc([C@H](COC)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)o1 ZINC000754348156 1022634234 /nfs/dbraw/zinc/63/42/34/1022634234.db2.gz QCQKBSPCIUATEQ-XLIONFOSSA-N 1 2 383.492 3.763 20 30 GHEDLO Cc1cnc([C@@H]([NH2+]Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C2CC2)s1 ZINC000754416394 1022691954 /nfs/dbraw/zinc/69/19/54/1022691954.db2.gz BSPKESGUDSBOAC-KXBFYZLASA-N 1 2 389.484 3.730 20 30 GHEDLO C#CC[N@H+](CC#CC)Cc1ccc(OCc2ccc(C(=O)OC)o2)c(OCC)c1 ZINC001204769336 1033081745 /nfs/dbraw/zinc/08/17/45/1033081745.db2.gz RWEMMMQLSOWDAJ-UHFFFAOYSA-N 1 2 395.455 3.502 20 30 GHEDLO C#CC[N@@H+](CC#CC)Cc1ccc(OCc2ccc(C(=O)OC)o2)c(OCC)c1 ZINC001204769336 1033081751 /nfs/dbraw/zinc/08/17/51/1033081751.db2.gz RWEMMMQLSOWDAJ-UHFFFAOYSA-N 1 2 395.455 3.502 20 30 GHEDLO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000754897222 1022956421 /nfs/dbraw/zinc/95/64/21/1022956421.db2.gz FJYHGKCSMDHGQS-UXHICEINSA-N 1 2 386.854 3.666 20 30 GHEDLO C#CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000754897222 1022956426 /nfs/dbraw/zinc/95/64/26/1022956426.db2.gz FJYHGKCSMDHGQS-UXHICEINSA-N 1 2 386.854 3.666 20 30 GHEDLO C=CCn1c([C@H]2COc3ccccc3O2)nn(C[N@H+]2CC[C@H](CC)C2)c1=S ZINC000755925419 1023438691 /nfs/dbraw/zinc/43/86/91/1023438691.db2.gz PDIGVFHFHFWRRG-MAUKXSAKSA-N 1 2 386.521 3.802 20 30 GHEDLO C=CCn1c([C@H]2COc3ccccc3O2)nn(C[N@@H+]2CC[C@H](CC)C2)c1=S ZINC000755925419 1023438704 /nfs/dbraw/zinc/43/87/04/1023438704.db2.gz PDIGVFHFHFWRRG-MAUKXSAKSA-N 1 2 386.521 3.802 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1cccc(-c2ccc(F)cc2)n1 ZINC001141206562 1024128953 /nfs/dbraw/zinc/12/89/53/1024128953.db2.gz NWSPYCURKLLEKD-JOCHJYFZSA-N 1 2 392.478 3.923 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1cccc(-c2ccc(F)cc2)n1 ZINC001141206562 1024128967 /nfs/dbraw/zinc/12/89/67/1024128967.db2.gz NWSPYCURKLLEKD-JOCHJYFZSA-N 1 2 392.478 3.923 20 30 GHEDLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C#N)ccc1F ZINC000830867355 1024202318 /nfs/dbraw/zinc/20/23/18/1024202318.db2.gz ILIJGASTYGRETI-ZHRRBRCNSA-N 1 2 394.494 3.774 20 30 GHEDLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C#N)ccc1F ZINC000830867355 1024202335 /nfs/dbraw/zinc/20/23/35/1024202335.db2.gz ILIJGASTYGRETI-ZHRRBRCNSA-N 1 2 394.494 3.774 20 30 GHEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2ccc(Br)c(OCC)c2)C1=O ZINC001277348133 1033222505 /nfs/dbraw/zinc/22/25/05/1033222505.db2.gz YYKIQNWUAJSKKB-IBGZPJMESA-N 1 2 393.325 3.601 20 30 GHEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(Br)c(OCC)c2)C1=O ZINC001277348133 1033222518 /nfs/dbraw/zinc/22/25/18/1033222518.db2.gz YYKIQNWUAJSKKB-IBGZPJMESA-N 1 2 393.325 3.601 20 30 GHEDLO CC(C)(C)OC(=O)Nc1cccnc1C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC001138406976 1024785706 /nfs/dbraw/zinc/78/57/06/1024785706.db2.gz CZXCSYFIBHTXMO-UHFFFAOYSA-N 1 2 393.491 3.622 20 30 GHEDLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000838898296 1025427025 /nfs/dbraw/zinc/42/70/25/1025427025.db2.gz YIJMEMZBHCDNNS-GOEBONIOSA-N 1 2 388.468 3.592 20 30 GHEDLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000838898296 1025427045 /nfs/dbraw/zinc/42/70/45/1025427045.db2.gz YIJMEMZBHCDNNS-GOEBONIOSA-N 1 2 388.468 3.592 20 30 GHEDLO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3c(F)cc(Br)cc3F)C2)C1=O ZINC001141556818 1025526201 /nfs/dbraw/zinc/52/62/01/1025526201.db2.gz LWMBFUFMXJUWCY-GOSISDBHSA-N 1 2 399.279 3.728 20 30 GHEDLO C=CCN1CC[C@@]2(CCC[N@H+](Cc3c(F)cc(Br)cc3F)C2)C1=O ZINC001141556818 1025526210 /nfs/dbraw/zinc/52/62/10/1025526210.db2.gz LWMBFUFMXJUWCY-GOSISDBHSA-N 1 2 399.279 3.728 20 30 GHEDLO C=CCOc1ccccc1C[N@H+]1Cc2cncn2C[C@@H](COc2ccccn2)C1 ZINC001139032480 1025802691 /nfs/dbraw/zinc/80/26/91/1025802691.db2.gz PDQALTAHDNBGHO-IBGZPJMESA-N 1 2 390.487 3.554 20 30 GHEDLO C=CCOc1ccccc1C[N@@H+]1Cc2cncn2C[C@@H](COc2ccccn2)C1 ZINC001139032480 1025802710 /nfs/dbraw/zinc/80/27/10/1025802710.db2.gz PDQALTAHDNBGHO-IBGZPJMESA-N 1 2 390.487 3.554 20 30 GHEDLO C[C@@]1(C#N)CC[C@H](OC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)CC1 ZINC000839438937 1025929271 /nfs/dbraw/zinc/92/92/71/1025929271.db2.gz HXFISAVBDLEPNC-RVWIWJKTSA-N 1 2 380.448 3.541 20 30 GHEDLO N#Cc1ccc(Br)c(C[NH+]2CCC(Oc3ccc(F)cn3)CC2)c1 ZINC001141664264 1026181767 /nfs/dbraw/zinc/18/17/67/1026181767.db2.gz FASXYFQIWCTTQC-UHFFFAOYSA-N 1 2 390.256 3.898 20 30 GHEDLO COc1nc(NC(=[NH2+])c2ccc(C(F)(F)F)cc2)ccc1-n1cnc(C)c1 ZINC001163680955 1026280610 /nfs/dbraw/zinc/28/06/10/1026280610.db2.gz ZKVQAKLAEWODRY-UHFFFAOYSA-N 1 2 375.354 3.640 20 30 GHEDLO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3c(Cl)ccnc3Cl)C2)C1 ZINC001139474860 1026337828 /nfs/dbraw/zinc/33/78/28/1026337828.db2.gz KEZBYZDEZUHNMT-GOSISDBHSA-N 1 2 384.307 3.999 20 30 GHEDLO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](Cc3c(Cl)ccnc3Cl)C2)C1 ZINC001139474860 1026337835 /nfs/dbraw/zinc/33/78/35/1026337835.db2.gz KEZBYZDEZUHNMT-GOSISDBHSA-N 1 2 384.307 3.999 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1Cc1ccc2c(c1)Cc1ccccc1-2 ZINC001141735076 1026380322 /nfs/dbraw/zinc/38/03/22/1026380322.db2.gz UNAAGFMJNQOQMP-HSZRJFAPSA-N 1 2 386.499 3.688 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1Cc1ccc2c(c1)Cc1ccccc1-2 ZINC001141735076 1026380335 /nfs/dbraw/zinc/38/03/35/1026380335.db2.gz UNAAGFMJNQOQMP-HSZRJFAPSA-N 1 2 386.499 3.688 20 30 GHEDLO N#Cc1ccc(F)c(C[N@@H+]2CCO[C@]3(CCC[C@@H]3COCc3ccccn3)C2)c1 ZINC001139647462 1026508460 /nfs/dbraw/zinc/50/84/60/1026508460.db2.gz INAPSUPQDZZYPV-NFBKMPQASA-N 1 2 395.478 3.680 20 30 GHEDLO N#Cc1ccc(F)c(C[N@H+]2CCO[C@]3(CCC[C@@H]3COCc3ccccn3)C2)c1 ZINC001139647462 1026508465 /nfs/dbraw/zinc/50/84/65/1026508465.db2.gz INAPSUPQDZZYPV-NFBKMPQASA-N 1 2 395.478 3.680 20 30 GHEDLO N#Cc1c(Cl)cccc1C[NH+]1CCC2(C[C@@H](c3ccccc3)C(=O)N2)CC1 ZINC001139688750 1026539746 /nfs/dbraw/zinc/53/97/46/1026539746.db2.gz CVJKUMIPAKTYEF-SFHVURJKSA-N 1 2 379.891 3.850 20 30 GHEDLO N#Cc1cc(F)cc(C[N@@H+]2CCO[C@]3(CCC[C@@H]3COCc3ccccn3)C2)c1 ZINC001139876501 1026691616 /nfs/dbraw/zinc/69/16/16/1026691616.db2.gz AOHARRGZKFTVOK-NFBKMPQASA-N 1 2 395.478 3.680 20 30 GHEDLO N#Cc1cc(F)cc(C[N@H+]2CCO[C@]3(CCC[C@@H]3COCc3ccccn3)C2)c1 ZINC001139876501 1026691625 /nfs/dbraw/zinc/69/16/25/1026691625.db2.gz AOHARRGZKFTVOK-NFBKMPQASA-N 1 2 395.478 3.680 20 30 GHEDLO N#Cc1cccc(N2CCOC[C@@]3(CCCN(c4cccc(C5CC5)[nH+]4)C3)C2)c1 ZINC001166454801 1027005856 /nfs/dbraw/zinc/00/58/56/1027005856.db2.gz PLWVFSCCENUHGL-DEOSSOPVSA-N 1 2 388.515 3.954 20 30 GHEDLO N#Cc1cc(Br)ccc1CN1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001141818392 1027354790 /nfs/dbraw/zinc/35/47/90/1027354790.db2.gz AKOVABHWIONCBG-INIZCTEOSA-N 1 2 384.268 3.626 20 30 GHEDLO COCC[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1cc(Br)ccc1C#N)C2 ZINC001141899170 1027617962 /nfs/dbraw/zinc/61/79/62/1027617962.db2.gz FUUTUISEQYSURR-KXBFYZLASA-N 1 2 393.325 3.728 20 30 GHEDLO COCC[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cc(Br)ccc1C#N)C2 ZINC001141899170 1027617966 /nfs/dbraw/zinc/61/79/66/1027617966.db2.gz FUUTUISEQYSURR-KXBFYZLASA-N 1 2 393.325 3.728 20 30 GHEDLO N#Cc1ccc(C2(NC(=O)NCc3cccc(Cn4cc[nH+]c4)c3)CCC2)cc1 ZINC001210921942 1027706483 /nfs/dbraw/zinc/70/64/83/1027706483.db2.gz GWSPRHQQRQASOO-UHFFFAOYSA-N 1 2 385.471 3.682 20 30 GHEDLO CC#Cc1cncc(Nc2ccc[nH+]c2N2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001211054928 1027770483 /nfs/dbraw/zinc/77/04/83/1027770483.db2.gz GTMFBWDMEBJWFJ-UHFFFAOYSA-N 1 2 393.491 3.649 20 30 GHEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1Cc1ccc(OC)c2ccccc12 ZINC001203991059 1027789694 /nfs/dbraw/zinc/78/96/94/1027789694.db2.gz CRQBXRAAVFKGMI-NRFANRHFSA-N 1 2 392.503 3.762 20 30 GHEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1Cc1ccc(OC)c2ccccc12 ZINC001203991059 1027789705 /nfs/dbraw/zinc/78/97/05/1027789705.db2.gz CRQBXRAAVFKGMI-NRFANRHFSA-N 1 2 392.503 3.762 20 30 GHEDLO N#CCc1ccc(NC(=O)NCCN(Cc2ccccc2)c2cccc[nH+]2)cc1 ZINC001214205957 1028595803 /nfs/dbraw/zinc/59/58/03/1028595803.db2.gz SDURRGXGWOMWIF-UHFFFAOYSA-N 1 2 385.471 3.976 20 30 GHEDLO O=C1C=C2C[N@@H+](Cc3ccc(OC(F)F)c(OC(F)F)c3)CC[C@@H]2S1 ZINC001142811301 1029513939 /nfs/dbraw/zinc/51/39/39/1029513939.db2.gz IFMIYJJMXLBTGC-ZDUSSCGKSA-N 1 2 377.359 3.664 20 30 GHEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)c1F ZINC001143166129 1029878262 /nfs/dbraw/zinc/87/82/62/1029878262.db2.gz GEIRRRJSRUTZLK-KNQAVFIVSA-N 1 2 399.441 3.682 20 30 GHEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)c1F ZINC001143166129 1029878270 /nfs/dbraw/zinc/87/82/70/1029878270.db2.gz GEIRRRJSRUTZLK-KNQAVFIVSA-N 1 2 399.441 3.682 20 30 GHEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H]3O[C@H](COCc4cccnc4)CC[C@H]32)c1F ZINC001143169113 1029879539 /nfs/dbraw/zinc/87/95/39/1029879539.db2.gz ACSFDBSWXHMRMO-IOMROCGXSA-N 1 2 399.441 3.570 20 30 GHEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@H]3O[C@H](COCc4cccnc4)CC[C@H]32)c1F ZINC001143169113 1029879546 /nfs/dbraw/zinc/87/95/46/1029879546.db2.gz ACSFDBSWXHMRMO-IOMROCGXSA-N 1 2 399.441 3.570 20 30 GHEDLO CC(C)(C)OC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(F)ccc(C#N)c1F ZINC001143173301 1029882480 /nfs/dbraw/zinc/88/24/80/1029882480.db2.gz WGTNWGCKPRAUDW-GOOCMWNKSA-N 1 2 377.435 3.857 20 30 GHEDLO CC(C)(C)OC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(F)ccc(C#N)c1F ZINC001143173301 1029882487 /nfs/dbraw/zinc/88/24/87/1029882487.db2.gz WGTNWGCKPRAUDW-GOOCMWNKSA-N 1 2 377.435 3.857 20 30 GHEDLO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000843424963 1029997109 /nfs/dbraw/zinc/99/71/09/1029997109.db2.gz BJJQCFQTSYVYSD-KRWDZBQOSA-N 1 2 398.816 3.703 20 30 GHEDLO Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000843424963 1029997118 /nfs/dbraw/zinc/99/71/18/1029997118.db2.gz BJJQCFQTSYVYSD-KRWDZBQOSA-N 1 2 398.816 3.703 20 30 GHEDLO COc1cc(O[C@@H]2CC[NH2+]CC2(F)F)ccc1C(=O)/C=C/c1ccc(O)cc1 ZINC001218012508 1030723154 /nfs/dbraw/zinc/72/31/54/1030723154.db2.gz KBTZPDNAAPCZBQ-CWFIWJMMSA-N 1 2 389.398 3.673 20 30 GHEDLO N=C(c1ccccc1N)N(O)C(=O)c1cccc2c1C[N@H+](Cc1ccccc1)C2 ZINC001151813379 1031013623 /nfs/dbraw/zinc/01/36/23/1031013623.db2.gz QZRBYZUVGGUHBT-UHFFFAOYSA-N 1 2 386.455 3.642 20 30 GHEDLO N=C(c1ccccc1N)N(O)C(=O)c1cccc2c1C[N@@H+](Cc1ccccc1)C2 ZINC001151813379 1031013637 /nfs/dbraw/zinc/01/36/37/1031013637.db2.gz QZRBYZUVGGUHBT-UHFFFAOYSA-N 1 2 386.455 3.642 20 30 GHEDLO CC1(C#N)CCN(C(=O)[C@@H](c2cccc(Br)c2)[NH+]2CCCC2)CC1 ZINC001152366270 1031207770 /nfs/dbraw/zinc/20/77/70/1031207770.db2.gz BBHSSUTWQKITNO-QGZVFWFLSA-N 1 2 390.325 3.738 20 30 GHEDLO N#CC1(CC(=O)Nc2ccc(O[C@@H]3CC[NH2+]CC3(F)F)cc2)CCCCC1 ZINC001219455805 1031428256 /nfs/dbraw/zinc/42/82/56/1031428256.db2.gz AFNBAOFURMWQII-QGZVFWFLSA-N 1 2 377.435 3.865 20 30 GHEDLO N#Cc1ccccc1C1(C(=O)Nc2ccc(O[C@H]3CC[NH2+]CC3(F)F)cc2)CC1 ZINC001219456866 1031430172 /nfs/dbraw/zinc/43/01/72/1031430172.db2.gz VECCZFZKVMPLND-IBGZPJMESA-N 1 2 397.425 3.605 20 30 GHEDLO C=CCOc1ccc(C(=O)Nc2ccc(O[C@@H]3CC[NH2+]CC3(F)F)cc2)cc1 ZINC001219460961 1031434050 /nfs/dbraw/zinc/43/40/50/1031434050.db2.gz CAYRQTMMYYVXRE-LJQANCHMSA-N 1 2 388.414 3.880 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[NH+](Cc2cccc(O[C@@H]3CC[C@H](C#N)C3)c2)CC1 ZINC001226470084 1031969598 /nfs/dbraw/zinc/96/95/98/1031969598.db2.gz LKLQQVHBTPKXFK-FXAWDEMLSA-N 1 2 385.508 3.810 20 30 GHEDLO CCOC(=O)[C@@H]1CC[C@H](Oc2nc(C)c(-c3ccc4[nH+]ccn4c3)cc2C#N)C1 ZINC001229769055 1033701005 /nfs/dbraw/zinc/70/10/05/1033701005.db2.gz PZRXDNMAWXQEOR-QAPCUYQASA-N 1 2 390.443 3.687 20 30 GHEDLO COc1cc(N2CCN(c3nc4cc(F)ccc4c(Cl)c3C#N)CC2)cc[nH+]1 ZINC001158104234 1033917171 /nfs/dbraw/zinc/91/71/71/1033917171.db2.gz LAJPWSZMZGPVOK-UHFFFAOYSA-N 1 2 397.841 3.629 20 30 GHEDLO O[C@@]1(C(F)(F)F)CC[N@H+](Cc2c(F)cccc2OC(F)F)CC[C@@H]1F ZINC001207112272 1034099469 /nfs/dbraw/zinc/09/94/69/1034099469.db2.gz YIGOJUVRMZBMBE-JSGCOSHPSA-N 1 2 375.284 3.654 20 30 GHEDLO O[C@@]1(C(F)(F)F)CC[N@@H+](Cc2c(F)cccc2OC(F)F)CC[C@@H]1F ZINC001207112272 1034099480 /nfs/dbraw/zinc/09/94/80/1034099480.db2.gz YIGOJUVRMZBMBE-JSGCOSHPSA-N 1 2 375.284 3.654 20 30 GHEDLO N#Cc1c[nH]c2cc[nH+]c(N3CCN(c4ccc(OC(F)(F)F)cc4)CC3)c12 ZINC001158871714 1034313313 /nfs/dbraw/zinc/31/33/13/1034313313.db2.gz OMOUIXNTOVXVFU-UHFFFAOYSA-N 1 2 387.365 3.660 20 30 GHEDLO C#CCN1CC[C@@]2(CCC[N@H+]2Cc2c(Br)ccc(C)c2Cl)C1=O ZINC001276592377 1035046210 /nfs/dbraw/zinc/04/62/10/1035046210.db2.gz QUXNTGIYBPJZKZ-SFHVURJKSA-N 1 2 395.728 3.611 20 30 GHEDLO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2c(Br)ccc(C)c2Cl)C1=O ZINC001276592377 1035046216 /nfs/dbraw/zinc/04/62/16/1035046216.db2.gz QUXNTGIYBPJZKZ-SFHVURJKSA-N 1 2 395.728 3.611 20 30 GHEDLO COc1cc(C#N)ccc1Nc1cc(I)c2[nH+]ccn2c1 ZINC001209325910 1035243118 /nfs/dbraw/zinc/24/31/18/1035243118.db2.gz MDLAIVLQJJJFCC-UHFFFAOYSA-N 1 2 390.184 3.563 20 30 GHEDLO CN1CC[NH+](CCNc2ccc(-c3ccc(C#Cc4ccccc4)cc3)cn2)CC1 ZINC001241568783 1035626964 /nfs/dbraw/zinc/62/69/64/1035626964.db2.gz SXGSCHZJCPFMCY-UHFFFAOYSA-N 1 2 396.538 3.808 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(OCc4ccccc4)ccn3)CC2)cc1 ZINC001232589341 1038359693 /nfs/dbraw/zinc/35/96/93/1038359693.db2.gz CLDHWUKXLCIXIF-UHFFFAOYSA-N 1 2 384.483 3.854 20 30 GHEDLO C=CC[C@@]1(C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)CCCN1C(=O)OC(C)(C)C ZINC001462261642 1070129833 /nfs/dbraw/zinc/12/98/33/1070129833.db2.gz ZGGLRVJIWSNVLC-CVDCTZTESA-N 1 2 399.535 3.635 20 30 GHEDLO C=CC[C@@]1(C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)CCCN1C(=O)OC(C)(C)C ZINC001462261642 1070129838 /nfs/dbraw/zinc/12/98/38/1070129838.db2.gz ZGGLRVJIWSNVLC-CVDCTZTESA-N 1 2 399.535 3.635 20 30 GHEDLO N#Cc1cc(Cl)ccc1CN1Cc2c[nH+]cn2C[C@H](COc2ccccn2)C1 ZINC001232607534 1038391621 /nfs/dbraw/zinc/39/16/21/1038391621.db2.gz OWSUTPKFHFOJMH-MRXNPFEDSA-N 1 2 393.878 3.514 20 30 GHEDLO CC(C)c1nccc([C@@H]2C[C@@H]3CC[N@H+](Cc4cc(C#N)ccc4O)C[C@H]3O2)n1 ZINC001232675594 1038472313 /nfs/dbraw/zinc/47/23/13/1038472313.db2.gz QKUXFWPFSXYZKI-ORYQWCPZSA-N 1 2 378.476 3.529 20 30 GHEDLO CC(C)c1nccc([C@@H]2C[C@@H]3CC[N@@H+](Cc4cc(C#N)ccc4O)C[C@H]3O2)n1 ZINC001232675594 1038472319 /nfs/dbraw/zinc/47/23/19/1038472319.db2.gz QKUXFWPFSXYZKI-ORYQWCPZSA-N 1 2 378.476 3.529 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2cc(OC)c(Cl)cc2OC)C1=O ZINC001277705597 1038519053 /nfs/dbraw/zinc/51/90/53/1038519053.db2.gz SMQFPZYCEUPONX-HXUWFJFHSA-N 1 2 378.900 3.500 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+]2Cc2cc(OC)c(Cl)cc2OC)C1=O ZINC001277705597 1038519057 /nfs/dbraw/zinc/51/90/57/1038519057.db2.gz SMQFPZYCEUPONX-HXUWFJFHSA-N 1 2 378.900 3.500 20 30 GHEDLO Cc1ccc(C[N@@H+]2CCO[C@]3(CCC[C@H]3COCc3ccccn3)C2)c(C#N)c1 ZINC001232965201 1038739232 /nfs/dbraw/zinc/73/92/32/1038739232.db2.gz QGURRJDHWOFYTF-LADGPHEKSA-N 1 2 391.515 3.850 20 30 GHEDLO Cc1ccc(C[N@H+]2CCO[C@]3(CCC[C@H]3COCc3ccccn3)C2)c(C#N)c1 ZINC001232965201 1038739237 /nfs/dbraw/zinc/73/92/37/1038739237.db2.gz QGURRJDHWOFYTF-LADGPHEKSA-N 1 2 391.515 3.850 20 30 GHEDLO COc1cc2nc(C)sc2cc1NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000330162640 1039197421 /nfs/dbraw/zinc/19/74/21/1039197421.db2.gz USHHSNFKYUKMKJ-AWEZNQCLSA-N 1 2 399.520 3.847 20 30 GHEDLO Cc1cccc2c1CCC[C@H]2NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001253542707 1039698649 /nfs/dbraw/zinc/69/86/49/1039698649.db2.gz NVUBNBPHFDMPGR-HSZRJFAPSA-N 1 2 388.515 3.772 20 30 GHEDLO Cc1cccc2c1CCC[C@@H]2NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001253542708 1039699305 /nfs/dbraw/zinc/69/93/05/1039699305.db2.gz NVUBNBPHFDMPGR-QHCPKHFHSA-N 1 2 388.515 3.772 20 30 GHEDLO C=CCc1cc(OC)c(OC)cc1OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001234551486 1040120513 /nfs/dbraw/zinc/12/05/13/1040120513.db2.gz GUTSLBCYMYBSIH-FQEVSTJZSA-N 1 2 383.488 3.712 20 30 GHEDLO C=CCc1cc(OC)c(OC)cc1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001234551486 1040120523 /nfs/dbraw/zinc/12/05/23/1040120523.db2.gz GUTSLBCYMYBSIH-FQEVSTJZSA-N 1 2 383.488 3.712 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2cc3n[nH]cc3cc2Br)C1 ZINC001234567762 1040134588 /nfs/dbraw/zinc/13/45/88/1040134588.db2.gz FOYWTXYYHOSBAG-MRXNPFEDSA-N 1 2 397.276 3.850 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2cc3n[nH]cc3cc2Br)C1 ZINC001234567762 1040134598 /nfs/dbraw/zinc/13/45/98/1040134598.db2.gz FOYWTXYYHOSBAG-MRXNPFEDSA-N 1 2 397.276 3.850 20 30 GHEDLO CCn1cc(C[N@H+](Cc2c(C)nn(C)c2C)Cc2ccccc2CC#N)cn1 ZINC001235523183 1040975741 /nfs/dbraw/zinc/97/57/41/1040975741.db2.gz MKSRXJLZHYAHIY-UHFFFAOYSA-N 1 2 376.508 3.522 20 30 GHEDLO CCn1cc(C[N@@H+](Cc2c(C)nn(C)c2C)Cc2ccccc2CC#N)cn1 ZINC001235523183 1040975747 /nfs/dbraw/zinc/97/57/47/1040975747.db2.gz MKSRXJLZHYAHIY-UHFFFAOYSA-N 1 2 376.508 3.522 20 30 GHEDLO N#CCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(F)c(F)c1Cl)CC2 ZINC001277957617 1041060837 /nfs/dbraw/zinc/06/08/37/1041060837.db2.gz GOPWHTUOZNECRL-AWEZNQCLSA-N 1 2 381.854 3.640 20 30 GHEDLO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](Cc3c(F)cc(C#N)cc3F)C[C@@H]12 ZINC001235654686 1041102143 /nfs/dbraw/zinc/10/21/43/1041102143.db2.gz PVWXUIVYBIDXNU-PKTZIBPZSA-N 1 2 395.453 3.601 20 30 GHEDLO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3c(F)cc(C#N)cc3F)C[C@@H]12 ZINC001235654686 1041102154 /nfs/dbraw/zinc/10/21/54/1041102154.db2.gz PVWXUIVYBIDXNU-PKTZIBPZSA-N 1 2 395.453 3.601 20 30 GHEDLO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccc(OC)c(Cl)c3O)C2)C1 ZINC001236804093 1041905724 /nfs/dbraw/zinc/90/57/24/1041905724.db2.gz WYVXENXFZWFQGS-HXUWFJFHSA-N 1 2 394.899 3.665 20 30 GHEDLO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](Cc3ccc(OC)c(Cl)c3O)C2)C1 ZINC001236804093 1041905725 /nfs/dbraw/zinc/90/57/25/1041905725.db2.gz WYVXENXFZWFQGS-HXUWFJFHSA-N 1 2 394.899 3.665 20 30 GHEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1ccc(-n3ccnc3)cc1Cl)CC2 ZINC001236916466 1041956427 /nfs/dbraw/zinc/95/64/27/1041956427.db2.gz DIKHUMKYDFFGSA-UHFFFAOYSA-N 1 2 397.910 3.520 20 30 GHEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1ccc(-n3ccnc3)cc1Cl)CC2 ZINC001236916466 1041956432 /nfs/dbraw/zinc/95/64/32/1041956432.db2.gz DIKHUMKYDFFGSA-UHFFFAOYSA-N 1 2 397.910 3.520 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@]12CCC[N@H+](Cc1cc(C#N)c(F)cc1F)C2 ZINC001237525810 1042250371 /nfs/dbraw/zinc/25/03/71/1042250371.db2.gz VXIHCIYXQXCEMP-FQEVSTJZSA-N 1 2 377.435 3.812 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@]12CCC[N@@H+](Cc1cc(C#N)c(F)cc1F)C2 ZINC001237525810 1042250373 /nfs/dbraw/zinc/25/03/73/1042250373.db2.gz VXIHCIYXQXCEMP-FQEVSTJZSA-N 1 2 377.435 3.812 20 30 GHEDLO N#Cc1cc(C[NH+]2CCC(Oc3ncnc4ccccc43)CC2)c(F)cc1F ZINC001237537696 1042255360 /nfs/dbraw/zinc/25/53/60/1042255360.db2.gz PXDNNXKWHPLZJA-UHFFFAOYSA-N 1 2 380.398 3.823 20 30 GHEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1[nH]c(-c3ccc[nH]3)cc1OC)CCO2 ZINC001237874703 1042404198 /nfs/dbraw/zinc/40/41/98/1042404198.db2.gz ZNCPKEPDDXEWBN-HTAPYJJXSA-N 1 2 385.508 3.592 20 30 GHEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1[nH]c(-c3ccc[nH]3)cc1OC)CCO2 ZINC001237874703 1042404200 /nfs/dbraw/zinc/40/42/00/1042404200.db2.gz ZNCPKEPDDXEWBN-HTAPYJJXSA-N 1 2 385.508 3.592 20 30 GHEDLO Cn1ncc2c1C[N@H+](Cc1ccc(Cl)c(C#N)c1)C[C@@H]2COc1cccnc1 ZINC001238191641 1042515036 /nfs/dbraw/zinc/51/50/36/1042515036.db2.gz KUGBMDPQURZMGU-QGZVFWFLSA-N 1 2 393.878 3.519 20 30 GHEDLO Cn1ncc2c1C[N@@H+](Cc1ccc(Cl)c(C#N)c1)C[C@@H]2COc1cccnc1 ZINC001238191641 1042515038 /nfs/dbraw/zinc/51/50/38/1042515038.db2.gz KUGBMDPQURZMGU-QGZVFWFLSA-N 1 2 393.878 3.519 20 30 GHEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1cccc(-c3cccs3)n1)CC2 ZINC001238207079 1042518911 /nfs/dbraw/zinc/51/89/11/1042518911.db2.gz CJZQENHMZYTRSB-UHFFFAOYSA-N 1 2 380.517 3.805 20 30 GHEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1cccc(-c3cccs3)n1)CC2 ZINC001238207079 1042518915 /nfs/dbraw/zinc/51/89/15/1042518915.db2.gz CJZQENHMZYTRSB-UHFFFAOYSA-N 1 2 380.517 3.805 20 30 GHEDLO C=CCOCc1ncn2c1C[N@H+](Cc1c(F)ccc(Cl)c1OC)CCC2 ZINC001238337949 1042561051 /nfs/dbraw/zinc/56/10/51/1042561051.db2.gz HEEFTJVCTCSABN-UHFFFAOYSA-N 1 2 379.863 3.793 20 30 GHEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1c(F)ccc(Cl)c1OC)CCC2 ZINC001238337949 1042561053 /nfs/dbraw/zinc/56/10/53/1042561053.db2.gz HEEFTJVCTCSABN-UHFFFAOYSA-N 1 2 379.863 3.793 20 30 GHEDLO CCCCCCCCCCCCNC(=S)N1CC[NH2+]C[C@H]1C(=O)OCC ZINC001239417649 1042824976 /nfs/dbraw/zinc/82/49/76/1042824976.db2.gz ONMJODZIBJDZMA-SFHVURJKSA-N 1 2 385.618 3.619 20 30 GHEDLO N#Cc1ccc(C2CCC([N@@H+]3CCn4nc(C(F)(F)F)nc4C3)CC2)cc1 ZINC001257014443 1043799606 /nfs/dbraw/zinc/79/96/06/1043799606.db2.gz BQGGISFASWTWAJ-UHFFFAOYSA-N 1 2 375.398 3.711 20 30 GHEDLO N#Cc1ccc(C2CCC([N@H+]3CCn4nc(C(F)(F)F)nc4C3)CC2)cc1 ZINC001257014443 1043799613 /nfs/dbraw/zinc/79/96/13/1043799613.db2.gz BQGGISFASWTWAJ-UHFFFAOYSA-N 1 2 375.398 3.711 20 30 GHEDLO CCCCCCCCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001297626007 1045591795 /nfs/dbraw/zinc/59/17/95/1045591795.db2.gz ZDERWPBYGRKMPO-IBGZPJMESA-N 1 2 395.588 3.891 20 30 GHEDLO C=C(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)[C@H](C)c1ccco1 ZINC001263302587 1046700579 /nfs/dbraw/zinc/70/05/79/1046700579.db2.gz XJICJYZWFGDWTD-QGZVFWFLSA-N 1 2 382.512 3.738 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC[C@@H](C)[C@H](OC)C1 ZINC001263305313 1046703477 /nfs/dbraw/zinc/70/34/77/1046703477.db2.gz VZILWZXXJCCGDP-GUDVDZBRSA-N 1 2 386.544 3.547 20 30 GHEDLO N#Cc1ccccc1Sc1ccc(C(=O)N2CCc3cc[nH+]c(N)c3C2)cc1 ZINC001302092006 1046810794 /nfs/dbraw/zinc/81/07/94/1046810794.db2.gz FMBSZGCRURRJJK-UHFFFAOYSA-N 1 2 386.480 3.885 20 30 GHEDLO N#Cc1cccc2[nH]cc(C(=O)NCCN(Cc3ccccc3)c3cccc[nH+]3)c21 ZINC001303368177 1047373857 /nfs/dbraw/zinc/37/38/57/1047373857.db2.gz NWDPAWJWZIGZHF-UHFFFAOYSA-N 1 2 395.466 3.871 20 30 GHEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(-c3nc4ccccc4s3)s2)C1 ZINC001303557136 1047428537 /nfs/dbraw/zinc/42/85/37/1047428537.db2.gz NQPNDMUPKMRMQJ-CQSZACIVSA-N 1 2 381.526 3.852 20 30 GHEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-c3nc4ccccc4s3)s2)C1 ZINC001303557136 1047428545 /nfs/dbraw/zinc/42/85/45/1047428545.db2.gz NQPNDMUPKMRMQJ-CQSZACIVSA-N 1 2 381.526 3.852 20 30 GHEDLO N#CC1(NC(=O)[C@]23C[C@H]2CC[N@H+]3CCc2ccc(Cl)cc2Cl)CCC1 ZINC001280103486 1048081103 /nfs/dbraw/zinc/08/11/03/1048081103.db2.gz RZBYSVHLTMDNJY-KUHUBIRLSA-N 1 2 378.303 3.563 20 30 GHEDLO N#CC1(NC(=O)[C@]23C[C@H]2CC[N@@H+]3CCc2ccc(Cl)cc2Cl)CCC1 ZINC001280103486 1048081117 /nfs/dbraw/zinc/08/11/17/1048081117.db2.gz RZBYSVHLTMDNJY-KUHUBIRLSA-N 1 2 378.303 3.563 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2(C)CCC2)CC1 ZINC001286474938 1048336951 /nfs/dbraw/zinc/33/69/51/1048336951.db2.gz OJDVXZHRNWNWLU-UHFFFAOYSA-N 1 2 383.927 3.544 20 30 GHEDLO C=CCN(Cc1ccccc1)c1nnc(CC)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001286745726 1048502708 /nfs/dbraw/zinc/50/27/08/1048502708.db2.gz GVLOOIFOENYZGP-UHFFFAOYSA-N 1 2 376.508 3.542 20 30 GHEDLO C[C@@H](C#N)CN(C)c1nnc(C2CC2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001286967345 1048558757 /nfs/dbraw/zinc/55/87/57/1048558757.db2.gz ZDIDVVPJIUZXBS-KRWDZBQOSA-N 1 2 393.539 3.575 20 30 GHEDLO C=CC[N@@H+](CC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2)C1CC1 ZINC001307608853 1049447599 /nfs/dbraw/zinc/44/75/99/1049447599.db2.gz ZBSIQGRBWUTDLU-CYBMUJFWSA-N 1 2 376.522 3.639 20 30 GHEDLO C=CC[N@H+](CC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2)C1CC1 ZINC001307608853 1049447607 /nfs/dbraw/zinc/44/76/07/1049447607.db2.gz ZBSIQGRBWUTDLU-CYBMUJFWSA-N 1 2 376.522 3.639 20 30 GHEDLO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCCC[C@@H]1COC(=O)N1CCCC1 ZINC001307758289 1049572917 /nfs/dbraw/zinc/57/29/17/1049572917.db2.gz XZTBRVZUDHGXJI-GOSISDBHSA-N 1 2 391.899 3.829 20 30 GHEDLO N#CCOc1ccc(Cl)cc1C[N@H+]1CCCC[C@@H]1COC(=O)N1CCCC1 ZINC001307758289 1049572930 /nfs/dbraw/zinc/57/29/30/1049572930.db2.gz XZTBRVZUDHGXJI-GOSISDBHSA-N 1 2 391.899 3.829 20 30 GHEDLO N#Cc1csc(C[N@H+]2CCC[C@H]([C@@H](O)c3ccc(Br)cc3)C2)n1 ZINC001307810305 1049607273 /nfs/dbraw/zinc/60/72/73/1049607273.db2.gz BKDANPBXLWBYEF-GUYCJALGSA-N 1 2 392.322 3.723 20 30 GHEDLO N#Cc1csc(C[N@@H+]2CCC[C@H]([C@@H](O)c3ccc(Br)cc3)C2)n1 ZINC001307810305 1049607278 /nfs/dbraw/zinc/60/72/78/1049607278.db2.gz BKDANPBXLWBYEF-GUYCJALGSA-N 1 2 392.322 3.723 20 30 GHEDLO C=CCn1c(=S)n(C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)nc1-c1ccncc1 ZINC001330664439 1051060473 /nfs/dbraw/zinc/06/04/73/1051060473.db2.gz IDZVNRGNZWWPJH-RTBURBONSA-N 1 2 399.564 3.901 20 30 GHEDLO C=CCn1c(=S)n(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)nc1-c1ccncc1 ZINC001330664439 1051060486 /nfs/dbraw/zinc/06/04/86/1051060486.db2.gz IDZVNRGNZWWPJH-RTBURBONSA-N 1 2 399.564 3.901 20 30 GHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c1=S ZINC001333606282 1051784615 /nfs/dbraw/zinc/78/46/15/1051784615.db2.gz QCGVLOQKUSFIGA-OALUTQOASA-N 1 2 384.549 3.649 20 30 GHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c1=S ZINC001333606282 1051784628 /nfs/dbraw/zinc/78/46/28/1051784628.db2.gz QCGVLOQKUSFIGA-OALUTQOASA-N 1 2 384.549 3.649 20 30 GHEDLO CC(C)Cn1c(N2CCC(Nc3cccc[nH+]3)CC2)nnc1C(C)(C)CC#N ZINC001342793811 1053359809 /nfs/dbraw/zinc/35/98/09/1053359809.db2.gz BHKYHVRHJWBNME-UHFFFAOYSA-N 1 2 381.528 3.601 20 30 GHEDLO C=C1CCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2Cc2cccs2)CC1 ZINC001343500105 1053818472 /nfs/dbraw/zinc/81/84/72/1053818472.db2.gz DWDMANWMQFZRAU-UHFFFAOYSA-N 1 2 396.564 3.637 20 30 GHEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nnc1N1CCCC2(CC2)CC1 ZINC001343947568 1054136446 /nfs/dbraw/zinc/13/64/46/1054136446.db2.gz PSAWGVGZKOCUAW-OALUTQOASA-N 1 2 385.556 3.551 20 30 GHEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@H]3CO2)nnc1N1CCCC2(CC2)CC1 ZINC001343947568 1054136451 /nfs/dbraw/zinc/13/64/51/1054136451.db2.gz PSAWGVGZKOCUAW-OALUTQOASA-N 1 2 385.556 3.551 20 30 GHEDLO C=C(C)Cn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1Cc2ccccc2[C@@H]1C ZINC001343956765 1054142077 /nfs/dbraw/zinc/14/20/77/1054142077.db2.gz GKMVYWNTRNXRRX-FXAWDEMLSA-N 1 2 381.524 3.717 20 30 GHEDLO C=C(C)Cn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1Cc2ccccc2[C@@H]1C ZINC001343956765 1054142090 /nfs/dbraw/zinc/14/20/90/1054142090.db2.gz GKMVYWNTRNXRRX-FXAWDEMLSA-N 1 2 381.524 3.717 20 30 GHEDLO O=C(Nc1cccc(C#Cc2ccccn2)c1)[C@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC001318313835 1054562134 /nfs/dbraw/zinc/56/21/34/1054562134.db2.gz SKMNLTCMMBNFFW-XMMPIXPASA-N 1 2 396.494 3.870 20 30 GHEDLO O=C(Nc1cccc(C#Cc2ccccn2)c1)[C@H]1CCCC[N@H+]1Cc1ccncc1 ZINC001318313835 1054562149 /nfs/dbraw/zinc/56/21/49/1054562149.db2.gz SKMNLTCMMBNFFW-XMMPIXPASA-N 1 2 396.494 3.870 20 30 GHEDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)C1 ZINC001319288426 1055158387 /nfs/dbraw/zinc/15/83/87/1055158387.db2.gz AQOODDQNJRAEMI-JOCHJYFZSA-N 1 2 383.495 3.915 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2C[C@@H](C)c2ccc(C)cc2)CC1 ZINC001300682185 1056858789 /nfs/dbraw/zinc/85/87/89/1056858789.db2.gz HZTOQXAGPGQFAJ-VQTJNVASSA-N 1 2 379.552 3.659 20 30 GHEDLO Cc1nn(Cc2ccccc2Cl)c(Cl)c1C=NNCCCn1cc[nH+]c1 ZINC000848418820 1057075757 /nfs/dbraw/zinc/07/57/57/1057075757.db2.gz ODPNTUNCKJJRSX-UHFFFAOYSA-N 1 2 391.306 3.757 20 30 GHEDLO C=CCO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC001337649800 1058203101 /nfs/dbraw/zinc/20/31/01/1058203101.db2.gz LZJUFZJPVQNMJV-MJGOQNOKSA-N 1 2 378.472 3.522 20 30 GHEDLO C=CCO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC001337649800 1058203118 /nfs/dbraw/zinc/20/31/18/1058203118.db2.gz LZJUFZJPVQNMJV-MJGOQNOKSA-N 1 2 378.472 3.522 20 30 GHEDLO Cn1c([C@@H]2CCCC[N@@H+]2Cc2ccccc2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001338394764 1058546288 /nfs/dbraw/zinc/54/62/88/1058546288.db2.gz LJKKMBXJSRXLEV-SIKLNZKXSA-N 1 2 378.524 3.672 20 30 GHEDLO Cn1c([C@@H]2CCCC[N@H+]2Cc2ccccc2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001338394764 1058546304 /nfs/dbraw/zinc/54/63/04/1058546304.db2.gz LJKKMBXJSRXLEV-SIKLNZKXSA-N 1 2 378.524 3.672 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[C@H](c2ccccc2OC)C1 ZINC001338895401 1058863121 /nfs/dbraw/zinc/86/31/21/1058863121.db2.gz IOHDFCSVNUCTEU-PKOBYXMFSA-N 1 2 381.524 3.623 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[C@H](c2ccccc2OC)C1 ZINC001338895401 1058863144 /nfs/dbraw/zinc/86/31/44/1058863144.db2.gz IOHDFCSVNUCTEU-PKOBYXMFSA-N 1 2 381.524 3.623 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCc2c(C)cc(C)cc2C1 ZINC001339367472 1059147748 /nfs/dbraw/zinc/14/77/48/1059147748.db2.gz KITXIVRGJRBCIQ-UHFFFAOYSA-N 1 2 392.551 3.571 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC(c2ccsc2)CC1 ZINC001339368909 1059149035 /nfs/dbraw/zinc/14/90/35/1059149035.db2.gz VPTKEMROBKPFQZ-UHFFFAOYSA-N 1 2 398.580 3.837 20 30 GHEDLO N#CCOc1ccc(NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC001339458645 1059229919 /nfs/dbraw/zinc/22/99/19/1059229919.db2.gz JYVUAIJBQPKRCE-UHFFFAOYSA-N 1 2 379.464 3.533 20 30 GHEDLO Cc1ccccc1[C@H]1CCCN1c1nnc(C2CC[NH+](CCC#N)CC2)n1C ZINC001339751213 1059438237 /nfs/dbraw/zinc/43/82/37/1059438237.db2.gz YEGQEZKDGJBLGI-HXUWFJFHSA-N 1 2 378.524 3.558 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@H]1c1cccc(Cl)c1 ZINC001339880011 1059535050 /nfs/dbraw/zinc/53/50/50/1059535050.db2.gz KJAUEKYADHAYNP-KRWDZBQOSA-N 1 2 382.899 3.783 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCc2ccccc2[C@@H]1C ZINC001340151858 1059728402 /nfs/dbraw/zinc/72/84/02/1059728402.db2.gz JWKSLKREKAYJAO-KRWDZBQOSA-N 1 2 378.524 3.515 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@@H]1c1cccs1 ZINC001340153067 1059730097 /nfs/dbraw/zinc/73/00/97/1059730097.db2.gz YAGQTQQZJZAEJN-QGZVFWFLSA-N 1 2 384.553 3.794 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@@H]2CSC[C@@H]2C1 ZINC001340491734 1059951408 /nfs/dbraw/zinc/95/14/08/1059951408.db2.gz KRFMPBJELFMYEL-SXLOBPIMSA-N 1 2 397.592 3.846 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@@H]2CSC[C@@H]2C1 ZINC001340491734 1059951411 /nfs/dbraw/zinc/95/14/11/1059951411.db2.gz KRFMPBJELFMYEL-SXLOBPIMSA-N 1 2 397.592 3.846 20 30 GHEDLO C=CCn1c([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1Cc2cccc(Cl)c2C1 ZINC001342013276 1060995825 /nfs/dbraw/zinc/99/58/25/1060995825.db2.gz XMEACNWTIOBXTK-VQIMIIECSA-N 1 2 399.926 3.564 20 30 GHEDLO C=CCn1c([C@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1Cc2cccc(Cl)c2C1 ZINC001342013276 1060995831 /nfs/dbraw/zinc/99/58/31/1060995831.db2.gz XMEACNWTIOBXTK-VQIMIIECSA-N 1 2 399.926 3.564 20 30 GHEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N(C)[C@@H](C)c1ccco1 ZINC001346646651 1061761793 /nfs/dbraw/zinc/76/17/93/1061761793.db2.gz JOROYYXGPVIUPS-SCTDSRPQSA-N 1 2 385.512 3.570 20 30 GHEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N(C)[C@@H](C)c1ccco1 ZINC001346646651 1061761820 /nfs/dbraw/zinc/76/18/20/1061761820.db2.gz JOROYYXGPVIUPS-SCTDSRPQSA-N 1 2 385.512 3.570 20 30 GHEDLO Cc1cn2c([nH+]1)[C@@H](Cn1c(N3CCC(C)(C#N)CC3)nnc1C(C)(C)C)CCC2 ZINC001492628685 1061832225 /nfs/dbraw/zinc/83/22/25/1061832225.db2.gz KLKUJGLKVRMQLO-QGZVFWFLSA-N 1 2 395.555 3.788 20 30 GHEDLO Cc1c[nH+]c2cc(C(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)ccn12 ZINC001435670621 1062835721 /nfs/dbraw/zinc/83/57/21/1062835721.db2.gz MCKMLCSKYLAWSX-UHFFFAOYSA-N 1 2 376.807 3.606 20 30 GHEDLO N#Cc1cc(Sc2nnc(C[NH+]3CCCC3)n2-c2ccc(Cl)cc2)ccn1 ZINC001458082959 1063552720 /nfs/dbraw/zinc/55/27/20/1063552720.db2.gz DXGDWPULKRNSIW-UHFFFAOYSA-N 1 2 396.907 3.934 20 30 GHEDLO N#Cc1cc(C(F)(F)F)cc(N2CC[NH+](Cc3ccccc3Cl)CC2)n1 ZINC001458246645 1063691909 /nfs/dbraw/zinc/69/19/09/1063691909.db2.gz UMEYWRCWDSPCQF-UHFFFAOYSA-N 1 2 380.801 3.948 20 30 GHEDLO N#CCSc1cccc(C(=O)N(CCn2cc[nH+]c2)C2CCSCC2)c1 ZINC001459989865 1064324476 /nfs/dbraw/zinc/32/44/76/1064324476.db2.gz HMGWXXIBORBCFH-UHFFFAOYSA-N 1 2 386.546 3.537 20 30 GHEDLO C=CCC[C@@H]1CCCN1c1nnc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)n1CC1CC1 ZINC001351454035 1064455607 /nfs/dbraw/zinc/45/56/07/1064455607.db2.gz JCWJLKCFYIPFRF-VAMGGRTRSA-N 1 2 385.556 3.549 20 30 GHEDLO C=CCC[C@@H]1CCCN1c1nnc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)n1CC1CC1 ZINC001351454035 1064455612 /nfs/dbraw/zinc/45/56/12/1064455612.db2.gz JCWJLKCFYIPFRF-VAMGGRTRSA-N 1 2 385.556 3.549 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CC[C@@H]2CC[C@@]21c1cccnc1 ZINC001351617174 1064534031 /nfs/dbraw/zinc/53/40/31/1064534031.db2.gz WWTJRTUKHAWWGX-JLMWRMLUSA-N 1 2 378.524 3.532 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CC[C@@H]2CC[C@@]21c1cccnc1 ZINC001351617174 1064534040 /nfs/dbraw/zinc/53/40/40/1064534040.db2.gz WWTJRTUKHAWWGX-JLMWRMLUSA-N 1 2 378.524 3.532 20 30 GHEDLO COC(=O)c1cccc(C#Cc2cccc(NC(=O)C[C@@H](C)n3cc[nH+]c3)c2)c1 ZINC001351801777 1064610577 /nfs/dbraw/zinc/61/05/77/1064610577.db2.gz IJVJMMXESCUJIZ-QGZVFWFLSA-N 1 2 387.439 3.659 20 30 GHEDLO C=CCn1c([C@H](C)OC(C)(C)C)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001351948859 1064726755 /nfs/dbraw/zinc/72/67/55/1064726755.db2.gz JGHYTKFOXMGSAD-INIZCTEOSA-N 1 2 384.528 3.816 20 30 GHEDLO N#C[C@H]1C[C@H]1C(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC001464711349 1065170359 /nfs/dbraw/zinc/17/03/59/1065170359.db2.gz AXNPIEIPMASDFK-YFVAEKQCSA-N 1 2 379.891 3.733 20 30 GHEDLO N#C[C@H](NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC001464839259 1065238697 /nfs/dbraw/zinc/23/86/97/1065238697.db2.gz UXXBPSHVABEBAL-IBGZPJMESA-N 1 2 379.851 3.643 20 30 GHEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC001465385746 1065579100 /nfs/dbraw/zinc/57/91/00/1065579100.db2.gz CCFCRWFRFLAZBW-IBGZPJMESA-N 1 2 394.475 3.583 20 30 GHEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC001465385746 1065579114 /nfs/dbraw/zinc/57/91/14/1065579114.db2.gz CCFCRWFRFLAZBW-IBGZPJMESA-N 1 2 394.475 3.583 20 30 GHEDLO C#C[C@H](C)N(C)c1nnc(Cc2ccccc2C)n1CCCNc1cccc[nH+]1 ZINC001300314513 1065975311 /nfs/dbraw/zinc/97/53/11/1065975311.db2.gz XZIIEEINEFJPQQ-IBGZPJMESA-N 1 2 388.519 3.532 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC3(C(F)(F)F)CCCCC3)CC2)cc1 ZINC001467413416 1067284395 /nfs/dbraw/zinc/28/43/95/1067284395.db2.gz FIYQRYDHOSTWLQ-UHFFFAOYSA-N 1 2 394.441 3.651 20 30 GHEDLO C#C[C@@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1CCc1cn2ccccc2[nH+]1 ZINC001358879496 1067591995 /nfs/dbraw/zinc/59/19/95/1067591995.db2.gz SELSZANQCYSVLJ-GOSISDBHSA-N 1 2 398.514 3.856 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2C[C@@H](C)Sc2ccccc2)CC1 ZINC001359029067 1067659315 /nfs/dbraw/zinc/65/93/15/1067659315.db2.gz NYFKEORZYSIEFV-RBUKOAKNSA-N 1 2 397.592 3.728 20 30 GHEDLO C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1CCCc1cccc(C)[nH+]1 ZINC001359070900 1067671437 /nfs/dbraw/zinc/67/14/37/1067671437.db2.gz XSGXMZYQILTMSN-NFBKMPQASA-N 1 2 393.535 3.848 20 30 GHEDLO C#CC[C@H]1CCCN(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC001468759127 1067864152 /nfs/dbraw/zinc/86/41/52/1067864152.db2.gz NAFRMPGDFZRLLT-QFBILLFUSA-N 1 2 391.918 3.888 20 30 GHEDLO C#CC[C@H]1CCCN(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC001468759127 1067864157 /nfs/dbraw/zinc/86/41/57/1067864157.db2.gz NAFRMPGDFZRLLT-QFBILLFUSA-N 1 2 391.918 3.888 20 30 GHEDLO Cc1sc(NC(=O)C[N@H+]2C[C@H](C(=O)OC(C)(C)C)CC[C@@H]2C)c(C#N)c1C ZINC001460269235 1068897306 /nfs/dbraw/zinc/89/73/06/1068897306.db2.gz JYTUMNSDJVHMHK-SWLSCSKDSA-N 1 2 391.537 3.617 20 30 GHEDLO Cc1sc(NC(=O)C[N@@H+]2C[C@H](C(=O)OC(C)(C)C)CC[C@@H]2C)c(C#N)c1C ZINC001460269235 1068897309 /nfs/dbraw/zinc/89/73/09/1068897309.db2.gz JYTUMNSDJVHMHK-SWLSCSKDSA-N 1 2 391.537 3.617 20 30 GHEDLO Cc1ccccc1Nc1nc(N)nc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)n1 ZINC001460864651 1069234048 /nfs/dbraw/zinc/23/40/48/1069234048.db2.gz YLOIBHMJUQWMCF-UHFFFAOYSA-N 1 2 399.502 3.757 20 30 GHEDLO CSc1ccc(CNC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1C#N ZINC001471181459 1072955905 /nfs/dbraw/zinc/95/59/05/1072955905.db2.gz XODJBYIFCCFPBT-IBGZPJMESA-N 1 2 391.500 3.717 20 30 GHEDLO N#Cc1ccc(N2CCC(Nc3cccc[nH+]3)CC2)c(F)c1Br ZINC001472880053 1073709218 /nfs/dbraw/zinc/70/92/18/1073709218.db2.gz QVCPSIMPZMVDQP-UHFFFAOYSA-N 1 2 375.245 3.936 20 30 GHEDLO C=CCOc1ccc(CNc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)cc1OC ZINC001474133491 1074272671 /nfs/dbraw/zinc/27/26/71/1074272671.db2.gz XDVIINFSDPBMOG-IRXDYDNUSA-N 1 2 383.492 3.881 20 30 GHEDLO C=CC[N@H+](Cc1ccc2nccnc2c1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001474444753 1074408951 /nfs/dbraw/zinc/40/89/51/1074408951.db2.gz PJCIMHNNQDDDGZ-QFIPXVFZSA-N 1 2 375.472 3.792 20 30 GHEDLO C=CC[N@@H+](Cc1ccc2nccnc2c1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001474444753 1074408952 /nfs/dbraw/zinc/40/89/52/1074408952.db2.gz PJCIMHNNQDDDGZ-QFIPXVFZSA-N 1 2 375.472 3.792 20 30 GHEDLO CC[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001495455969 1079409805 /nfs/dbraw/zinc/40/98/05/1079409805.db2.gz VJHCUSNETLKUEL-KKSFZXQISA-N 1 2 399.518 3.523 20 30 GHEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H](C)c1nnc(-c2ccccc2)o1 ZINC000735418650 598290217 /nfs/dbraw/zinc/29/02/17/598290217.db2.gz HXDILGWFQDPBEZ-OAHLLOKOSA-N 1 2 387.447 3.666 20 30 GHEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H](C)c1nnc(-c2ccccc2)o1 ZINC000735418650 598290219 /nfs/dbraw/zinc/29/02/19/598290219.db2.gz HXDILGWFQDPBEZ-OAHLLOKOSA-N 1 2 387.447 3.666 20 30 GHEDLO Fc1ccc(C[NH+]2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1-c1nn[nH]n1 ZINC000822766470 606966642 /nfs/dbraw/zinc/96/66/42/606966642.db2.gz KANFYBYMSRTHQA-UWVGGRQHSA-N 1 2 397.298 3.569 20 30 GHEDLO Cc1[nH+]ccn1-c1c(Cl)cccc1NS(=O)(=O)c1ccc(C#N)cc1C ZINC000583473893 834454288 /nfs/dbraw/zinc/45/42/88/834454288.db2.gz WDSZMQBMORPOCW-UHFFFAOYSA-N 1 2 386.864 3.815 20 30 GHEDLO CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000329168614 834500500 /nfs/dbraw/zinc/50/05/00/834500500.db2.gz JEGSPSPUGDFODT-UKRRQHHQSA-N 1 2 396.582 3.665 20 30 GHEDLO C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000607755192 835069535 /nfs/dbraw/zinc/06/95/35/835069535.db2.gz OGJMSDGNPSNKGH-OAOOKAIFSA-N 1 2 385.479 3.756 20 30 GHEDLO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000607755192 835069547 /nfs/dbraw/zinc/06/95/47/835069547.db2.gz OGJMSDGNPSNKGH-OAOOKAIFSA-N 1 2 385.479 3.756 20 30 GHEDLO C=CC[N@H+](CC(=O)Nc1ccnn1CC1CCCCC1)Cc1cccc(C#N)c1 ZINC000610212953 835144135 /nfs/dbraw/zinc/14/41/35/835144135.db2.gz KGZJKMVOXDAQCI-UHFFFAOYSA-N 1 2 391.519 3.962 20 30 GHEDLO C=CC[N@@H+](CC(=O)Nc1ccnn1CC1CCCCC1)Cc1cccc(C#N)c1 ZINC000610212953 835144140 /nfs/dbraw/zinc/14/41/40/835144140.db2.gz KGZJKMVOXDAQCI-UHFFFAOYSA-N 1 2 391.519 3.962 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@](C)(C#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000612148441 835680578 /nfs/dbraw/zinc/68/05/78/835680578.db2.gz IIUNWPGUBGCXPM-CMKODMSKSA-N 1 2 392.906 3.950 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)N2CCC[C@](C)(C#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000612148441 835680580 /nfs/dbraw/zinc/68/05/80/835680580.db2.gz IIUNWPGUBGCXPM-CMKODMSKSA-N 1 2 392.906 3.950 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@](C)(C#N)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000612152445 835685438 /nfs/dbraw/zinc/68/54/38/835685438.db2.gz ASRBPNOGCVMZRI-ILZDJORESA-N 1 2 394.441 3.574 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)N2CCC[C@](C)(C#N)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000612152445 835685444 /nfs/dbraw/zinc/68/54/44/835685444.db2.gz ASRBPNOGCVMZRI-ILZDJORESA-N 1 2 394.441 3.574 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)[C@@H](C#N)CCc2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000433384663 844094479 /nfs/dbraw/zinc/09/44/79/844094479.db2.gz WPEJNXKQQPKLPY-JRGCBEDISA-N 1 2 383.442 3.599 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)[C@@H](C#N)CCc2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000433384663 844094490 /nfs/dbraw/zinc/09/44/90/844094490.db2.gz WPEJNXKQQPKLPY-JRGCBEDISA-N 1 2 383.442 3.599 20 30 GHEDLO N#Cc1ccccc1-c1ccc(CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000179882026 836227540 /nfs/dbraw/zinc/22/75/40/836227540.db2.gz FNQWOEZIAHNEJW-OAQYLSRUSA-N 1 2 385.471 3.796 20 30 GHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000547770017 836328456 /nfs/dbraw/zinc/32/84/56/836328456.db2.gz SJQOGXGXTFAOLW-LPHOPBHVSA-N 1 2 381.451 3.706 20 30 GHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000547770017 836328460 /nfs/dbraw/zinc/32/84/60/836328460.db2.gz SJQOGXGXTFAOLW-LPHOPBHVSA-N 1 2 381.451 3.706 20 30 GHEDLO C=CC[C@@H](C(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1)c1ccccc1 ZINC001266449478 836999924 /nfs/dbraw/zinc/99/99/24/836999924.db2.gz RKYGPCAGHJTKNE-HSZRJFAPSA-N 1 2 394.515 3.578 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)c(C#N)c1C ZINC000175953483 837085062 /nfs/dbraw/zinc/08/50/62/837085062.db2.gz RPYMWUCKKNGITH-PXNSSMCTSA-N 1 2 395.503 3.819 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@H](OCCCc3ccccc3)C2)c(C#N)c1C ZINC000175953483 837085068 /nfs/dbraw/zinc/08/50/68/837085068.db2.gz RPYMWUCKKNGITH-PXNSSMCTSA-N 1 2 395.503 3.819 20 30 GHEDLO CC(C)Oc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(F)c1 ZINC000052265551 844240576 /nfs/dbraw/zinc/24/05/76/844240576.db2.gz XOEWWPKFVVBUDK-UHFFFAOYSA-N 1 2 396.466 3.834 20 30 GHEDLO N#Cc1cnc2c(F)ccc(F)c2c1NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000610273865 837330673 /nfs/dbraw/zinc/33/06/73/837330673.db2.gz SNVCTSFMIUHUPL-UHFFFAOYSA-N 1 2 379.414 3.804 20 30 GHEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3ccc(F)cc3C#N)CC2)c1 ZINC000177904802 838242845 /nfs/dbraw/zinc/24/28/45/838242845.db2.gz NXWYYNDNODXTHV-OAHLLOKOSA-N 1 2 382.439 3.617 20 30 GHEDLO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1nc(C(F)(F)F)cs1 ZINC000274411583 838905120 /nfs/dbraw/zinc/90/51/20/838905120.db2.gz SBKDFPCTUQOKCG-BXUZGUMPSA-N 1 2 394.422 3.880 20 30 GHEDLO C[C@H]1C[C@H]1c1ccc(CCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000053175766 839092692 /nfs/dbraw/zinc/09/26/92/839092692.db2.gz ZOSWOFBRZXGOSR-LAUBAEHRSA-N 1 2 377.488 3.552 20 30 GHEDLO N#Cc1cccc(Oc2ccc(NC(=O)[C@H]3CCC[N@@H+]3Cc3ccccn3)cn2)c1 ZINC000610423936 839275888 /nfs/dbraw/zinc/27/58/88/839275888.db2.gz JZERERNJTDJBHD-OAQYLSRUSA-N 1 2 399.454 3.744 20 30 GHEDLO N#Cc1cccc(Oc2ccc(NC(=O)[C@H]3CCC[N@H+]3Cc3ccccn3)cn2)c1 ZINC000610423936 839275898 /nfs/dbraw/zinc/27/58/98/839275898.db2.gz JZERERNJTDJBHD-OAQYLSRUSA-N 1 2 399.454 3.744 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)NCc2ccc(C#N)s2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000584046401 839870852 /nfs/dbraw/zinc/87/08/52/839870852.db2.gz IYOXUDVXOJDYKP-IRXDYDNUSA-N 1 2 392.887 3.657 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)NCc2ccc(C#N)s2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000584046401 839870865 /nfs/dbraw/zinc/87/08/65/839870865.db2.gz IYOXUDVXOJDYKP-IRXDYDNUSA-N 1 2 392.887 3.657 20 30 GHEDLO CC(C)(C)OC(=O)[C@H]1C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)CCO1 ZINC000610453314 840030382 /nfs/dbraw/zinc/03/03/82/840030382.db2.gz ZZNUDINZDQBYAW-OAQYLSRUSA-N 1 2 378.472 3.768 20 30 GHEDLO CC(C)(C)OC(=O)[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)CCO1 ZINC000610453314 840030390 /nfs/dbraw/zinc/03/03/90/840030390.db2.gz ZZNUDINZDQBYAW-OAQYLSRUSA-N 1 2 378.472 3.768 20 30 GHEDLO C=CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000416922783 840273482 /nfs/dbraw/zinc/27/34/82/840273482.db2.gz OZGIAEDBPDBULM-LJQANCHMSA-N 1 2 380.492 3.536 20 30 GHEDLO N#Cc1cccc(OCc2cccc(C(=O)N3CC[C@H](Oc4cc[nH+]cc4)C3)c2)c1 ZINC000121260887 840415223 /nfs/dbraw/zinc/41/52/23/840415223.db2.gz XSJFEVVPPYFFLB-QHCPKHFHSA-N 1 2 399.450 3.826 20 30 GHEDLO C[N@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)Nc1ccc(F)cc1C#N)CC2 ZINC000276033250 840777685 /nfs/dbraw/zinc/77/76/85/840777685.db2.gz RMUKCASCYIHOJF-QGZVFWFLSA-N 1 2 399.495 3.672 20 30 GHEDLO C[N@@H+](Cc1nccs1)[C@@H]1CC12CCN(C(=O)Nc1ccc(F)cc1C#N)CC2 ZINC000276033250 840777691 /nfs/dbraw/zinc/77/76/91/840777691.db2.gz RMUKCASCYIHOJF-QGZVFWFLSA-N 1 2 399.495 3.672 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2Cc3ccccc3OC[C@H]2C)cc1 ZINC000543872123 841006732 /nfs/dbraw/zinc/00/67/32/841006732.db2.gz LNBMJGAWJIRLEE-GOSISDBHSA-N 1 2 393.487 3.615 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2Cc3ccccc3OC[C@H]2C)cc1 ZINC000543872123 841006735 /nfs/dbraw/zinc/00/67/35/841006735.db2.gz LNBMJGAWJIRLEE-GOSISDBHSA-N 1 2 393.487 3.615 20 30 GHEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@H]3c3ncc[nH]3)sc2C1 ZINC000334047014 841080508 /nfs/dbraw/zinc/08/05/08/841080508.db2.gz QJXCXZTUSAHJFB-BBRMVZONSA-N 1 2 383.521 3.633 20 30 GHEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCC[C@H]3c3ncc[nH]3)sc2C1 ZINC000334047014 841080516 /nfs/dbraw/zinc/08/05/16/841080516.db2.gz QJXCXZTUSAHJFB-BBRMVZONSA-N 1 2 383.521 3.633 20 30 GHEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(-c3c(OC)ccc4ccccc43)no2)C1=O ZINC000500002287 841251985 /nfs/dbraw/zinc/25/19/85/841251985.db2.gz SGYLUJLKLSDGQI-FQEVSTJZSA-N 1 2 391.471 3.722 20 30 GHEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(-c3c(OC)ccc4ccccc43)no2)C1=O ZINC000500002287 841251993 /nfs/dbraw/zinc/25/19/93/841251993.db2.gz SGYLUJLKLSDGQI-FQEVSTJZSA-N 1 2 391.471 3.722 20 30 GHEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)C1=O ZINC000120305248 841308374 /nfs/dbraw/zinc/30/83/74/841308374.db2.gz ZASSPNDDOWYJRS-IAGOWNOFSA-N 1 2 387.892 3.532 20 30 GHEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)C1=O ZINC000120305248 841308386 /nfs/dbraw/zinc/30/83/86/841308386.db2.gz ZASSPNDDOWYJRS-IAGOWNOFSA-N 1 2 387.892 3.532 20 30 GHEDLO C[C@H](CNC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1)[NH+]1CCC(C)CC1 ZINC000329259845 861211778 /nfs/dbraw/zinc/21/17/78/861211778.db2.gz AHZXAGVLQLKIJZ-IEBWSBKVSA-N 1 2 396.539 3.643 20 30 GHEDLO N#Cc1cccc(Oc2ccc(NC(=O)NCCCNc3cccc[nH+]3)cn2)c1 ZINC000603823193 861232470 /nfs/dbraw/zinc/23/24/70/861232470.db2.gz KLOTYANSBQTUEE-UHFFFAOYSA-N 1 2 388.431 3.764 20 30 GHEDLO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000131256792 861285674 /nfs/dbraw/zinc/28/56/74/861285674.db2.gz KRPIAPWJLOSGFZ-HXUWFJFHSA-N 1 2 388.446 3.685 20 30 GHEDLO CCOc1c(Br)cc(Br)cc1C[NH2+]C[C@@H](C)C#N ZINC000054181061 842408308 /nfs/dbraw/zinc/40/83/08/842408308.db2.gz AIQHFENFEOMQQS-VIFPVBQESA-N 1 2 376.092 3.860 20 30 GHEDLO CC(C)(CNC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1)[NH+]1CCCCC1 ZINC000329344510 861308386 /nfs/dbraw/zinc/30/83/86/861308386.db2.gz QNSVTVROUZNPSL-SFHVURJKSA-N 1 2 396.539 3.787 20 30 GHEDLO CC(C)[N@H+](CCC#N)Cc1ccc(N2CCC(C(=O)OC(C)(C)C)CC2)o1 ZINC000891696124 842671958 /nfs/dbraw/zinc/67/19/58/842671958.db2.gz INZLVTKWRKVTMJ-UHFFFAOYSA-N 1 2 375.513 3.962 20 30 GHEDLO CC(C)[N@@H+](CCC#N)Cc1ccc(N2CCC(C(=O)OC(C)(C)C)CC2)o1 ZINC000891696124 842671963 /nfs/dbraw/zinc/67/19/63/842671963.db2.gz INZLVTKWRKVTMJ-UHFFFAOYSA-N 1 2 375.513 3.962 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N1CCSc2ccccc21 ZINC000512179413 842777120 /nfs/dbraw/zinc/77/71/20/842777120.db2.gz MDXUPPDUOJDXPQ-MRXNPFEDSA-N 1 2 386.517 3.677 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)N1CCSc2ccccc21 ZINC000512179413 842777122 /nfs/dbraw/zinc/77/71/22/842777122.db2.gz MDXUPPDUOJDXPQ-MRXNPFEDSA-N 1 2 386.517 3.677 20 30 GHEDLO N#Cc1ccc(CNC(=O)[C@@H](c2cccc(Br)c2)[NH+]2CCCC2)cc1 ZINC001126327548 842906753 /nfs/dbraw/zinc/90/67/53/842906753.db2.gz AHEUYMXWWUYUAW-LJQANCHMSA-N 1 2 398.304 3.774 20 30 GHEDLO C=CCn1c([C@H]2COc3ccccc3O2)nn(C[N@H+](C)CCC2CC2)c1=S ZINC000162879619 842928871 /nfs/dbraw/zinc/92/88/71/842928871.db2.gz QHOMSOLRPVPUBD-GOSISDBHSA-N 1 2 386.521 3.802 20 30 GHEDLO C=CCn1c([C@H]2COc3ccccc3O2)nn(C[N@@H+](C)CCC2CC2)c1=S ZINC000162879619 842928876 /nfs/dbraw/zinc/92/88/76/842928876.db2.gz QHOMSOLRPVPUBD-GOSISDBHSA-N 1 2 386.521 3.802 20 30 GHEDLO N#CCCn1cc(C[N@@H+]2CCO[C@@H](c3ccccc3F)C2)c(-c2ccncc2)n1 ZINC000279396660 843042944 /nfs/dbraw/zinc/04/29/44/843042944.db2.gz MCEAXHOTGPAWPA-OAQYLSRUSA-N 1 2 391.450 3.571 20 30 GHEDLO N#CCCn1cc(C[N@H+]2CCO[C@@H](c3ccccc3F)C2)c(-c2ccncc2)n1 ZINC000279396660 843042956 /nfs/dbraw/zinc/04/29/56/843042956.db2.gz MCEAXHOTGPAWPA-OAQYLSRUSA-N 1 2 391.450 3.571 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H]1CCCN(c2cc(C)ccc2F)C1=O ZINC000512212183 843099687 /nfs/dbraw/zinc/09/96/87/843099687.db2.gz KFXLEPQXJNSOFA-HXUWFJFHSA-N 1 2 386.467 3.793 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H]1CCCN(c2cc(C)ccc2F)C1=O ZINC000512212183 843099698 /nfs/dbraw/zinc/09/96/98/843099698.db2.gz KFXLEPQXJNSOFA-HXUWFJFHSA-N 1 2 386.467 3.793 20 30 GHEDLO Cc1cccn2cc(CCNC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)[nH+]c12 ZINC000610597710 843250826 /nfs/dbraw/zinc/25/08/26/843250826.db2.gz YSVALAHOJJQJOG-SFTDATJTSA-N 1 2 387.487 3.667 20 30 GHEDLO C[C@H]1[N@H+](Cc2nnc(C(=O)Nc3ccc(F)cc3)s2)CCC12CCOCC2 ZINC000329422480 861400978 /nfs/dbraw/zinc/40/09/78/861400978.db2.gz HYJYUFOUWJAMNB-CYBMUJFWSA-N 1 2 390.484 3.705 20 30 GHEDLO C[C@H]1[N@@H+](Cc2nnc(C(=O)Nc3ccc(F)cc3)s2)CCC12CCOCC2 ZINC000329422480 861400983 /nfs/dbraw/zinc/40/09/83/861400983.db2.gz HYJYUFOUWJAMNB-CYBMUJFWSA-N 1 2 390.484 3.705 20 30 GHEDLO Cc1nnc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc(Br)c3)C2)[nH]1 ZINC000329429916 861407925 /nfs/dbraw/zinc/40/79/25/861407925.db2.gz HYWLQEOGMBYMFM-AAEUAGOBSA-N 1 2 392.301 3.732 20 30 GHEDLO Cc1nnc([C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc(Br)c3)C2)[nH]1 ZINC000329429916 861407932 /nfs/dbraw/zinc/40/79/32/861407932.db2.gz HYWLQEOGMBYMFM-AAEUAGOBSA-N 1 2 392.301 3.732 20 30 GHEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]1c1ccccc1Br ZINC000610676208 843506925 /nfs/dbraw/zinc/50/69/25/843506925.db2.gz FSZTVQITYJBZNY-YOEHRIQHSA-N 1 2 378.314 3.594 20 30 GHEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]1c1ccccc1Br ZINC000610676208 843506932 /nfs/dbraw/zinc/50/69/32/843506932.db2.gz FSZTVQITYJBZNY-YOEHRIQHSA-N 1 2 378.314 3.594 20 30 GHEDLO Cc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000599637803 861432824 /nfs/dbraw/zinc/43/28/24/861432824.db2.gz VRMMWKJJRLQLJW-HKUYNNGSSA-N 1 2 390.325 3.703 20 30 GHEDLO COc1ccc(F)c(F)c1C[NH+]1CCC(Oc2ccc(C#N)cc2OC)CC1 ZINC001143412613 843578360 /nfs/dbraw/zinc/57/83/60/843578360.db2.gz BZMLRQROARNSIY-UHFFFAOYSA-N 1 2 388.414 3.897 20 30 GHEDLO Cc1cc(Br)ccc1[C@@H]1CCC[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000599637803 861432828 /nfs/dbraw/zinc/43/28/28/861432828.db2.gz VRMMWKJJRLQLJW-HKUYNNGSSA-N 1 2 390.325 3.703 20 30 GHEDLO COc1ccc2cc(CN(C)C(=O)[C@H](C)[NH+]3CCC(F)(C#N)CC3)ccc2c1 ZINC000510871614 843678045 /nfs/dbraw/zinc/67/80/45/843678045.db2.gz GSFAETIAQIVQRP-INIZCTEOSA-N 1 2 383.467 3.523 20 30 GHEDLO COc1ccc([C@H](NC(=O)C[N@@H+]2CCc3c(CC#N)cccc3C2)C(C)C)cc1 ZINC000599675392 861473687 /nfs/dbraw/zinc/47/36/87/861473687.db2.gz KLKLWAQDQNRHJQ-XMMPIXPASA-N 1 2 391.515 3.633 20 30 GHEDLO COc1ccc([C@H](NC(=O)C[N@H+]2CCc3c(CC#N)cccc3C2)C(C)C)cc1 ZINC000599675392 861473691 /nfs/dbraw/zinc/47/36/91/861473691.db2.gz KLKLWAQDQNRHJQ-XMMPIXPASA-N 1 2 391.515 3.633 20 30 GHEDLO COc1ccc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)cc1F ZINC000599679690 861519839 /nfs/dbraw/zinc/51/98/39/861519839.db2.gz NQGJMANRAOKNAV-XJKSGUPXSA-N 1 2 385.439 3.732 20 30 GHEDLO COc1ccc([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)cc1F ZINC000599679690 861519850 /nfs/dbraw/zinc/51/98/50/861519850.db2.gz NQGJMANRAOKNAV-XJKSGUPXSA-N 1 2 385.439 3.732 20 30 GHEDLO C=CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000411197141 845070390 /nfs/dbraw/zinc/07/03/90/845070390.db2.gz VOOPONFBTDMEAA-MRXNPFEDSA-N 1 2 379.460 3.549 20 30 GHEDLO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000411197141 845070398 /nfs/dbraw/zinc/07/03/98/845070398.db2.gz VOOPONFBTDMEAA-MRXNPFEDSA-N 1 2 379.460 3.549 20 30 GHEDLO N#Cc1cc(C[N@H+]2CCC[C@H]2c2ccccc2I)ccn1 ZINC000610993542 845072195 /nfs/dbraw/zinc/07/21/95/845072195.db2.gz WZUVWQNOKMIYNV-KRWDZBQOSA-N 1 2 389.240 3.895 20 30 GHEDLO N#Cc1cc(C[N@@H+]2CCC[C@H]2c2ccccc2I)ccn1 ZINC000610993542 845072200 /nfs/dbraw/zinc/07/22/00/845072200.db2.gz WZUVWQNOKMIYNV-KRWDZBQOSA-N 1 2 389.240 3.895 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c2c(F)cncc2F)c1 ZINC000513271046 845167021 /nfs/dbraw/zinc/16/70/21/845167021.db2.gz IYUKYARHKFNEJN-JKSUJKDBSA-N 1 2 386.446 3.963 20 30 GHEDLO N#CCc1cccc2c1CCN(C(=O)Nc1nc(C[NH+]3CCCCC3)cs1)C2 ZINC000599707900 861563619 /nfs/dbraw/zinc/56/36/19/861563619.db2.gz JBJNSFOYTWNFSA-UHFFFAOYSA-N 1 2 395.532 3.785 20 30 GHEDLO N#CCCn1cc(C[NH2+]Cc2c(F)cc(F)c(F)c2F)c(-c2ccncc2)n1 ZINC000430026986 845604894 /nfs/dbraw/zinc/60/48/94/845604894.db2.gz QWDAQQOTTHJDRN-UHFFFAOYSA-N 1 2 389.356 3.705 20 30 GHEDLO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000582181659 846594331 /nfs/dbraw/zinc/59/43/31/846594331.db2.gz ITXHJBYPFPBAMK-HXUWFJFHSA-N 1 2 385.475 3.869 20 30 GHEDLO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000582181659 846594336 /nfs/dbraw/zinc/59/43/36/846594336.db2.gz ITXHJBYPFPBAMK-HXUWFJFHSA-N 1 2 385.475 3.869 20 30 GHEDLO COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)c1C ZINC000419637901 846708803 /nfs/dbraw/zinc/70/88/03/846708803.db2.gz KTOGNVJPSSNURW-LJQANCHMSA-N 1 2 378.476 3.798 20 30 GHEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCc2ccc(C#N)s2)C[C@H](C)O1 ZINC000421048204 847663334 /nfs/dbraw/zinc/66/33/34/847663334.db2.gz TZKDWGSBNQRZAD-GJZGRUSLSA-N 1 2 384.505 3.551 20 30 GHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000052213767 849403798 /nfs/dbraw/zinc/40/37/98/849403798.db2.gz CBIZESNVFSRLIZ-AEFFLSMTSA-N 1 2 378.314 3.640 20 30 GHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000052213767 849403800 /nfs/dbraw/zinc/40/38/00/849403800.db2.gz CBIZESNVFSRLIZ-AEFFLSMTSA-N 1 2 378.314 3.640 20 30 GHEDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CCO[C@H](C2CCCCC2)C1 ZINC000329683670 862054675 /nfs/dbraw/zinc/05/46/75/862054675.db2.gz TWUWZJFCKABMDD-FQEVSTJZSA-N 1 2 386.540 3.767 20 30 GHEDLO CC1(C#N)CCN(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000503930051 849779619 /nfs/dbraw/zinc/77/96/19/849779619.db2.gz RVPKUTBNBOGQAA-QGZVFWFLSA-N 1 2 392.906 3.779 20 30 GHEDLO CC1(C#N)CCN(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000503930051 849779630 /nfs/dbraw/zinc/77/96/30/849779630.db2.gz RVPKUTBNBOGQAA-QGZVFWFLSA-N 1 2 392.906 3.779 20 30 GHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1 ZINC000732074008 862056745 /nfs/dbraw/zinc/05/67/45/862056745.db2.gz OOESXGMXZIDRLQ-KRWDZBQOSA-N 1 2 389.377 3.929 20 30 GHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1 ZINC000732074008 862056755 /nfs/dbraw/zinc/05/67/55/862056755.db2.gz OOESXGMXZIDRLQ-KRWDZBQOSA-N 1 2 389.377 3.929 20 30 GHEDLO C=CCCc1ccccc1NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000505029026 850544916 /nfs/dbraw/zinc/54/49/16/850544916.db2.gz KFUWORMDOYLSEP-UHFFFAOYSA-N 1 2 379.504 3.959 20 30 GHEDLO Cc1cc(C[N@H+](CC(N)=O)Cc2ccc(OCc3ccccc3)cc2)ccc1C#N ZINC000488214624 851272164 /nfs/dbraw/zinc/27/21/64/851272164.db2.gz GDQCYHSCAKYCLI-UHFFFAOYSA-N 1 2 399.494 3.933 20 30 GHEDLO Cc1cc(C[N@@H+](CC(N)=O)Cc2ccc(OCc3ccccc3)cc2)ccc1C#N ZINC000488214624 851272172 /nfs/dbraw/zinc/27/21/72/851272172.db2.gz GDQCYHSCAKYCLI-UHFFFAOYSA-N 1 2 399.494 3.933 20 30 GHEDLO N#CCCn1ncc(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1-c1ccccc1 ZINC000428722266 851761610 /nfs/dbraw/zinc/76/16/10/851761610.db2.gz WFXSONONRGMGFB-UHFFFAOYSA-N 1 2 396.454 3.579 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCCCc3ccc(Cl)cc3)CC2)cc1 ZINC000604540280 862290017 /nfs/dbraw/zinc/29/00/17/862290017.db2.gz QNCRNPMTBVANFK-UHFFFAOYSA-N 1 2 396.922 3.672 20 30 GHEDLO C=CC[N@H+](Cc1nc(-c2cccs2)no1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000517529815 852078451 /nfs/dbraw/zinc/07/84/51/852078451.db2.gz WGFRTMLZUKZFIU-CQSZACIVSA-N 1 2 393.476 3.523 20 30 GHEDLO C=CC[N@@H+](Cc1nc(-c2cccs2)no1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000517529815 852078464 /nfs/dbraw/zinc/07/84/64/852078464.db2.gz WGFRTMLZUKZFIU-CQSZACIVSA-N 1 2 393.476 3.523 20 30 GHEDLO CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CCO[C@H](c3ccsc3)C1)C2 ZINC000329861440 862380304 /nfs/dbraw/zinc/38/03/04/862380304.db2.gz QGZZAWXMHFSKIU-HOTGVXAUSA-N 1 2 388.537 3.544 20 30 GHEDLO COc1ccc(C#N)cc1NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000426103034 852697958 /nfs/dbraw/zinc/69/79/58/852697958.db2.gz UGBMXVRWZIDRCL-TZIWHRDSSA-N 1 2 387.443 3.814 20 30 GHEDLO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000490079171 852753028 /nfs/dbraw/zinc/75/30/28/852753028.db2.gz YPWWOTOAIWQJGJ-KRWDZBQOSA-N 1 2 375.856 3.680 20 30 GHEDLO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000490079171 852753036 /nfs/dbraw/zinc/75/30/36/852753036.db2.gz YPWWOTOAIWQJGJ-KRWDZBQOSA-N 1 2 375.856 3.680 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCc4c3cccc4Cl)CC2)cc1 ZINC000516640253 852812951 /nfs/dbraw/zinc/81/29/51/852812951.db2.gz MRBMTFBCMNJSJM-OAQYLSRUSA-N 1 2 394.906 3.726 20 30 GHEDLO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000437534765 853237545 /nfs/dbraw/zinc/23/75/45/853237545.db2.gz JGWWDLLFNBRPNK-GIVPXCGWSA-N 1 2 382.508 3.522 20 30 GHEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(CC(=O)Nc2sccc2C#N)CC1 ZINC000029685182 853362054 /nfs/dbraw/zinc/36/20/54/853362054.db2.gz JRKLXGWCEXTIOI-CQSZACIVSA-N 1 2 388.924 3.590 20 30 GHEDLO C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000029686129 853362129 /nfs/dbraw/zinc/36/21/29/853362129.db2.gz QIOMRXUGWGREQX-IRXDYDNUSA-N 1 2 396.922 3.917 20 30 GHEDLO C=CCC[C@H](NC(=O)N[C@H](C)C[NH+]1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000440810042 853654847 /nfs/dbraw/zinc/65/48/47/853654847.db2.gz QALWAJWGTXBGOL-QAPCUYQASA-N 1 2 399.457 3.733 20 30 GHEDLO CC#CCCCC(=O)N(CCCn1cc[nH+]c1)c1ccc(Br)cn1 ZINC000416034641 853703331 /nfs/dbraw/zinc/70/33/31/853703331.db2.gz ODMRZFLOXWGNJT-UHFFFAOYSA-N 1 2 389.297 3.658 20 30 GHEDLO CC[C@H]1C[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)CCCO1 ZINC000439485584 853711844 /nfs/dbraw/zinc/71/18/44/853711844.db2.gz IYCKVLALAWVNAO-IBGZPJMESA-N 1 2 398.482 3.544 20 30 GHEDLO CC[C@H]1C[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)CCCO1 ZINC000439485584 853711852 /nfs/dbraw/zinc/71/18/52/853711852.db2.gz IYCKVLALAWVNAO-IBGZPJMESA-N 1 2 398.482 3.544 20 30 GHEDLO C=CCc1cc(C[N@@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)c(O)c(OC)c1 ZINC000164276622 853800513 /nfs/dbraw/zinc/80/05/13/853800513.db2.gz OVWAMTAGYNZQPU-HXUWFJFHSA-N 1 2 375.415 3.981 20 30 GHEDLO C=CCc1cc(C[N@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)c(O)c(OC)c1 ZINC000164276622 853800518 /nfs/dbraw/zinc/80/05/18/853800518.db2.gz OVWAMTAGYNZQPU-HXUWFJFHSA-N 1 2 375.415 3.981 20 30 GHEDLO O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000330011701 862504551 /nfs/dbraw/zinc/50/45/51/862504551.db2.gz JJJUWJUNGWHHNJ-XHDPSFHLSA-N 1 2 393.274 3.514 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](C)[C@H](CO)c1ccc(OC)cc1 ZINC000112995955 854384543 /nfs/dbraw/zinc/38/45/43/854384543.db2.gz YAMRVAHLWGMYAV-LJQANCHMSA-N 1 2 386.517 3.577 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@H+](C)[C@H](CO)c1ccc(OC)cc1 ZINC000112995955 854384550 /nfs/dbraw/zinc/38/45/50/854384550.db2.gz YAMRVAHLWGMYAV-LJQANCHMSA-N 1 2 386.517 3.577 20 30 GHEDLO O=C(C[N@H+]1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1)Nc1nc2c(s1)CCC2 ZINC000328623527 854485252 /nfs/dbraw/zinc/48/52/52/854485252.db2.gz YYAUXQWGSMODMP-JTQLQIEISA-N 1 2 399.442 3.841 20 30 GHEDLO O=C(C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1)Nc1nc2c(s1)CCC2 ZINC000328623527 854485259 /nfs/dbraw/zinc/48/52/59/854485259.db2.gz YYAUXQWGSMODMP-JTQLQIEISA-N 1 2 399.442 3.841 20 30 GHEDLO Cc1cn2cc(NC(=O)N3CCC(N4CCc5ccccc54)CC3)ccc2[nH+]1 ZINC000328640466 854487158 /nfs/dbraw/zinc/48/71/58/854487158.db2.gz CQAFTOKFGMXDBX-UHFFFAOYSA-N 1 2 375.476 3.715 20 30 GHEDLO C[C@@H](C1CC1)n1cc(NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000328659677 854493284 /nfs/dbraw/zinc/49/32/84/854493284.db2.gz TZRFCIODSHRDEL-DOTOQJQBSA-N 1 2 382.512 3.812 20 30 GHEDLO CCC(=O)N1CCC[C@H](C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000328793142 854559092 /nfs/dbraw/zinc/55/90/92/854559092.db2.gz ARFPINFWDGFXPU-KRWDZBQOSA-N 1 2 378.476 3.838 20 30 GHEDLO CCC(=O)N[C@@H]1CCCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000328830796 854564718 /nfs/dbraw/zinc/56/47/18/854564718.db2.gz URBUQVZCKSNIFU-QGZVFWFLSA-N 1 2 393.491 3.978 20 30 GHEDLO Cc1ncccc1C[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000589258052 854763418 /nfs/dbraw/zinc/76/34/18/854763418.db2.gz SUEVFYLTFPNQRW-LJQANCHMSA-N 1 2 385.309 3.535 20 30 GHEDLO N#Cc1cc(Oc2ccc(NC(=O)N3CCC(c4c[nH]c[nH+]4)CC3)cc2)ccn1 ZINC000589366418 854831129 /nfs/dbraw/zinc/83/11/29/854831129.db2.gz WZZBBPNRKCJZFN-UHFFFAOYSA-N 1 2 388.431 3.880 20 30 GHEDLO N#Cc1cc(Oc2ccc(NC(=O)N3CCC(c4c[nH+]c[nH]4)CC3)cc2)ccn1 ZINC000589366418 854831136 /nfs/dbraw/zinc/83/11/36/854831136.db2.gz WZZBBPNRKCJZFN-UHFFFAOYSA-N 1 2 388.431 3.880 20 30 GHEDLO N#Cc1cnc(N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cn1 ZINC000106463068 855234961 /nfs/dbraw/zinc/23/49/61/855234961.db2.gz XJASENFJBDWINJ-UHFFFAOYSA-N 1 2 391.425 3.538 20 30 GHEDLO CC(C)C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1cccc(C#N)n1 ZINC000590464649 855412599 /nfs/dbraw/zinc/41/25/99/855412599.db2.gz NAAABHDWMPGUJB-HXUWFJFHSA-N 1 2 396.922 3.979 20 30 GHEDLO CC(C)C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1cccc(C#N)n1 ZINC000590464649 855412602 /nfs/dbraw/zinc/41/26/02/855412602.db2.gz NAAABHDWMPGUJB-HXUWFJFHSA-N 1 2 396.922 3.979 20 30 GHEDLO Cc1ccc(-n2nc(CCCNc3cc(C)[nH+]c(C(C)C)n3)c(C#N)c2N)cc1 ZINC000301067691 855611558 /nfs/dbraw/zinc/61/15/58/855611558.db2.gz CMALFSGXCZCLBX-UHFFFAOYSA-N 1 2 389.507 3.901 20 30 GHEDLO C[N@@H+]1CCO[C@@H]([C@H](Nc2ccc([N+](=O)[O-])cc2C#N)c2ccc(Cl)cc2)C1 ZINC000301903258 855779608 /nfs/dbraw/zinc/77/96/08/855779608.db2.gz XDKFWEDABHOINB-RTBURBONSA-N 1 2 386.839 3.604 20 30 GHEDLO C[N@H+]1CCO[C@@H]([C@H](Nc2ccc([N+](=O)[O-])cc2C#N)c2ccc(Cl)cc2)C1 ZINC000301903258 855779616 /nfs/dbraw/zinc/77/96/16/855779616.db2.gz XDKFWEDABHOINB-RTBURBONSA-N 1 2 386.839 3.604 20 30 GHEDLO N#Cc1c(N2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)nc2ccccn12 ZINC000302095300 855814646 /nfs/dbraw/zinc/81/46/46/855814646.db2.gz NSXFVDLBDJLWDD-UHFFFAOYSA-N 1 2 385.393 3.547 20 30 GHEDLO N#Cc1ccccc1-c1ccc(CNc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)cc1 ZINC000302823135 855945224 /nfs/dbraw/zinc/94/52/24/855945224.db2.gz FNBDHSJKRPADHN-OAQYLSRUSA-N 1 2 399.498 3.979 20 30 GHEDLO N#Cc1ccccc1-c1ccc(CNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)cc1 ZINC000302823135 855945246 /nfs/dbraw/zinc/94/52/46/855945246.db2.gz FNBDHSJKRPADHN-OAQYLSRUSA-N 1 2 399.498 3.979 20 30 GHEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)Nc3cc(C#N)ccc3F)CC2)cc1 ZINC000888359254 856497655 /nfs/dbraw/zinc/49/76/55/856497655.db2.gz FAGHZBCTZOVCJU-UHFFFAOYSA-N 1 2 381.455 3.554 20 30 GHEDLO C=CCN(C(=O)Nc1c(C)cc(C)[nH+]c1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000573776846 856514213 /nfs/dbraw/zinc/51/42/13/856514213.db2.gz WPFAEQUSHPFOTR-KRWDZBQOSA-N 1 2 391.479 3.764 20 30 GHEDLO COc1ccc(C(N)=[NH+]O[C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000733306968 862849371 /nfs/dbraw/zinc/84/93/71/862849371.db2.gz NWMUHFWLHHRGRV-SNVBAGLBSA-N 1 2 382.247 3.666 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1Cl ZINC000008318390 857110551 /nfs/dbraw/zinc/11/05/51/857110551.db2.gz CVIXMPDVSDBULE-SFHVURJKSA-N 1 2 397.862 3.758 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1Cl ZINC000008318390 857110558 /nfs/dbraw/zinc/11/05/58/857110558.db2.gz CVIXMPDVSDBULE-SFHVURJKSA-N 1 2 397.862 3.758 20 30 GHEDLO N#Cc1cc(Br)c(Cl)cc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212366506 857170467 /nfs/dbraw/zinc/17/04/67/857170467.db2.gz QMISVUZGNWITHB-UHFFFAOYSA-N 1 2 393.672 3.949 20 30 GHEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168597105 858081341 /nfs/dbraw/zinc/08/13/41/858081341.db2.gz RJWZLEUNJYWEKV-PUHATCMVSA-N 1 2 395.499 3.845 20 30 GHEDLO N#CC[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)C1 ZINC000594660860 858258438 /nfs/dbraw/zinc/25/84/38/858258438.db2.gz RXQMWRQWQNZWOK-LAUBAEHRSA-N 1 2 389.455 3.736 20 30 GHEDLO N#CC[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)C1 ZINC000594660860 858258447 /nfs/dbraw/zinc/25/84/47/858258447.db2.gz RXQMWRQWQNZWOK-LAUBAEHRSA-N 1 2 389.455 3.736 20 30 GHEDLO Cc1ccc(C2=NN(C(=O)C[N@@H+]3CCC[C@@H](CC#N)C3)[C@H](c3ccco3)C2)cc1 ZINC000595616164 858631849 /nfs/dbraw/zinc/63/18/49/858631849.db2.gz QTJYSNWCXQECGF-RXVVDRJESA-N 1 2 390.487 3.891 20 30 GHEDLO Cc1ccc(C2=NN(C(=O)C[N@H+]3CCC[C@@H](CC#N)C3)[C@H](c3ccco3)C2)cc1 ZINC000595616164 858631861 /nfs/dbraw/zinc/63/18/61/858631861.db2.gz QTJYSNWCXQECGF-RXVVDRJESA-N 1 2 390.487 3.891 20 30 GHEDLO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H]2c2ccc(Br)cc2)cc1 ZINC000595845559 858693160 /nfs/dbraw/zinc/69/31/60/858693160.db2.gz OZGQDALPTVNAKO-PKOBYXMFSA-N 1 2 387.277 3.507 20 30 GHEDLO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H]2c2ccc(Br)cc2)cc1 ZINC000595845559 858693166 /nfs/dbraw/zinc/69/31/66/858693166.db2.gz OZGQDALPTVNAKO-PKOBYXMFSA-N 1 2 387.277 3.507 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000595832539 858703449 /nfs/dbraw/zinc/70/34/49/858703449.db2.gz WWLYFUINHQEMHT-GDBMZVCRSA-N 1 2 381.501 3.589 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000595832539 858703451 /nfs/dbraw/zinc/70/34/51/858703451.db2.gz WWLYFUINHQEMHT-GDBMZVCRSA-N 1 2 381.501 3.589 20 30 GHEDLO C[C@@]1(C(F)F)C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCO1 ZINC000595918940 858733121 /nfs/dbraw/zinc/73/31/21/858733121.db2.gz ZOAWRSKOQSIEHN-IBGZPJMESA-N 1 2 397.491 3.573 20 30 GHEDLO C[C@@]1(C(F)F)C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCO1 ZINC000595918940 858733128 /nfs/dbraw/zinc/73/31/28/858733128.db2.gz ZOAWRSKOQSIEHN-IBGZPJMESA-N 1 2 397.491 3.573 20 30 GHEDLO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2cc(C)c([N+](=O)[O-])c(C#N)c2)cc1 ZINC000596064227 858769334 /nfs/dbraw/zinc/76/93/34/858769334.db2.gz UEHIFVIQHLQADP-FQEVSTJZSA-N 1 2 380.448 3.569 20 30 GHEDLO Cc1cc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)cc(C#N)c1[N+](=O)[O-] ZINC000596187157 858801435 /nfs/dbraw/zinc/80/14/35/858801435.db2.gz WFNOHEYUCXDUDP-UHFFFAOYSA-N 1 2 387.443 3.777 20 30 GHEDLO Cc1cc(N2CCSC[C@@H](C)C2)c(C#N)c(N2CCSC[C@@H](C)C2)[nH+]1 ZINC000596205280 858830174 /nfs/dbraw/zinc/83/01/74/858830174.db2.gz HPOYCQIARSMGOU-GJZGRUSLSA-N 1 2 376.595 3.640 20 30 GHEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000596710422 859024985 /nfs/dbraw/zinc/02/49/85/859024985.db2.gz LUBPIZYXDJKGRY-SJORKVTESA-N 1 2 394.475 3.581 20 30 GHEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000596710422 859024991 /nfs/dbraw/zinc/02/49/91/859024991.db2.gz LUBPIZYXDJKGRY-SJORKVTESA-N 1 2 394.475 3.581 20 30 GHEDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)[C@H](C)CO1 ZINC000596732474 859031653 /nfs/dbraw/zinc/03/16/53/859031653.db2.gz JOTQPGPUSYQVST-IAGOWNOFSA-N 1 2 394.475 3.581 20 30 GHEDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)[C@H](C)CO1 ZINC000596732474 859031657 /nfs/dbraw/zinc/03/16/57/859031657.db2.gz JOTQPGPUSYQVST-IAGOWNOFSA-N 1 2 394.475 3.581 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(Cc3coc(-c4c(F)cccc4F)n3)CC2)cc1 ZINC000443619225 859068956 /nfs/dbraw/zinc/06/89/56/859068956.db2.gz ANTXEYUOZGPJSN-UHFFFAOYSA-N 1 2 394.425 3.809 20 30 GHEDLO N#CC1(c2ccc(C[NH+]3CCN(C(=O)c4ccc(F)cc4Cl)CC3)cc2)CC1 ZINC000596994719 859234740 /nfs/dbraw/zinc/23/47/40/859234740.db2.gz AYHLBGVZGNPECJ-UHFFFAOYSA-N 1 2 397.881 3.992 20 30 GHEDLO N#CC1(c2ccc(C[NH+]3CCN(C(=O)c4ccc(Cl)cc4F)CC3)cc2)CC1 ZINC000596999384 859237273 /nfs/dbraw/zinc/23/72/73/859237273.db2.gz WHTOCNPTPQEKNF-UHFFFAOYSA-N 1 2 397.881 3.992 20 30 GHEDLO O=C(Nc1cccc(C#Cc2ccccc2)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000125884469 859431389 /nfs/dbraw/zinc/43/13/89/859431389.db2.gz AVWIYXIZGGRAKD-UHFFFAOYSA-N 1 2 382.467 3.836 20 30 GHEDLO C[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1cccc(C#N)c1 ZINC000611199047 859639567 /nfs/dbraw/zinc/63/95/67/859639567.db2.gz KDLNGFKGRUPNSX-QTJFZDIUSA-N 1 2 384.430 3.642 20 30 GHEDLO C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1cccc(C#N)c1 ZINC000611199047 859639572 /nfs/dbraw/zinc/63/95/72/859639572.db2.gz KDLNGFKGRUPNSX-QTJFZDIUSA-N 1 2 384.430 3.642 20 30 GHEDLO CCc1noc([C@H]2CCC[N@H+](Cc3ccc(Br)cc3C#N)C2)n1 ZINC001141816841 859643244 /nfs/dbraw/zinc/64/32/44/859643244.db2.gz NLEBATDURCKPLB-ZDUSSCGKSA-N 1 2 375.270 3.646 20 30 GHEDLO CCc1noc([C@H]2CCC[N@@H+](Cc3ccc(Br)cc3C#N)C2)n1 ZINC001141816841 859643250 /nfs/dbraw/zinc/64/32/50/859643250.db2.gz NLEBATDURCKPLB-ZDUSSCGKSA-N 1 2 375.270 3.646 20 30 GHEDLO C=CCCC(=O)N1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000483850009 859648931 /nfs/dbraw/zinc/64/89/31/859648931.db2.gz NXBUSZURDCTRIJ-UHFFFAOYSA-N 1 2 378.516 3.903 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](CF)c1ccc(F)cc1 ZINC000601942856 859667483 /nfs/dbraw/zinc/66/74/83/859667483.db2.gz VTUJZIQVGPUCEC-CRAIPNDOSA-N 1 2 387.430 3.770 20 30 GHEDLO C=CC[N@@H+](CCCS(=O)(=O)c1ccc(NC(C)=O)cc1)Cc1cccs1 ZINC000114712953 859846218 /nfs/dbraw/zinc/84/62/18/859846218.db2.gz VERONEGMOISLHK-UHFFFAOYSA-N 1 2 392.546 3.559 20 30 GHEDLO C=CC[N@H+](CCCS(=O)(=O)c1ccc(NC(C)=O)cc1)Cc1cccs1 ZINC000114712953 859846229 /nfs/dbraw/zinc/84/62/29/859846229.db2.gz VERONEGMOISLHK-UHFFFAOYSA-N 1 2 392.546 3.559 20 30 GHEDLO C[C@H]1C[N@H+](CCNC(=O)c2ccccc2Sc2ccccc2C#N)[C@@H](C)CO1 ZINC000597997063 859976998 /nfs/dbraw/zinc/97/69/98/859976998.db2.gz KTSKVDAJJBSZHE-IRXDYDNUSA-N 1 2 395.528 3.548 20 30 GHEDLO C[C@H]1C[N@@H+](CCNC(=O)c2ccccc2Sc2ccccc2C#N)[C@@H](C)CO1 ZINC000597997063 859977001 /nfs/dbraw/zinc/97/70/01/859977001.db2.gz KTSKVDAJJBSZHE-IRXDYDNUSA-N 1 2 395.528 3.548 20 30 GHEDLO C=CCn1c(-c2ccc[nH]2)nnc1N1CC[NH+]([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000508944845 860187433 /nfs/dbraw/zinc/18/74/33/860187433.db2.gz HJQGDAGNDKFMHH-HNNXBMFYSA-N 1 2 398.461 3.621 20 30 GHEDLO C=CCn1c([C@H]2COc3ccccc3O2)nn(C[N@H+]2CCC[C@@H]2CC)c1=S ZINC000727824475 860292175 /nfs/dbraw/zinc/29/21/75/860292175.db2.gz QBTZPSWEOAZDEH-MAUKXSAKSA-N 1 2 386.521 3.944 20 30 GHEDLO C=CCn1c([C@H]2COc3ccccc3O2)nn(C[N@@H+]2CCC[C@@H]2CC)c1=S ZINC000727824475 860292182 /nfs/dbraw/zinc/29/21/82/860292182.db2.gz QBTZPSWEOAZDEH-MAUKXSAKSA-N 1 2 386.521 3.944 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cc(Cl)c(Cl)cn3)CC2)cc1 ZINC000466653402 860336524 /nfs/dbraw/zinc/33/65/24/860336524.db2.gz HASSRYRXCCHCEQ-UHFFFAOYSA-N 1 2 390.274 3.610 20 30 GHEDLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](c3ccc4cccnc4n3)C2)c(C#N)c1C ZINC000602888790 860338037 /nfs/dbraw/zinc/33/80/37/860338037.db2.gz RGLZSGSOLFYKHM-MRXNPFEDSA-N 1 2 391.500 3.608 20 30 GHEDLO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](c3ccc4cccnc4n3)C2)c(C#N)c1C ZINC000602888790 860338043 /nfs/dbraw/zinc/33/80/43/860338043.db2.gz RGLZSGSOLFYKHM-MRXNPFEDSA-N 1 2 391.500 3.608 20 30 GHEDLO C=CCCC[C@H]([NH3+])c1nc(CS(=O)(=O)c2cc(Cl)ccc2Cl)no1 ZINC000904652087 860545368 /nfs/dbraw/zinc/54/53/68/860545368.db2.gz LWDMFJBRIBYTKM-LBPRGKRZSA-N 1 2 390.292 3.706 20 30 GHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000474698802 860653661 /nfs/dbraw/zinc/65/36/61/860653661.db2.gz SRQASPOUAUKDPV-UHFFFAOYSA-N 1 2 380.398 3.686 20 30 GHEDLO N#Cc1cccc([C@H]2C[N@H+](Cc3ccc(OC[C@H]4CCCO4)cc3)CCO2)c1 ZINC000509070180 860793570 /nfs/dbraw/zinc/79/35/70/860793570.db2.gz MIWKOHUBWBEPFW-DHIUTWEWSA-N 1 2 378.472 3.690 20 30 GHEDLO N#Cc1cccc([C@H]2C[N@@H+](Cc3ccc(OC[C@H]4CCCO4)cc3)CCO2)c1 ZINC000509070180 860793572 /nfs/dbraw/zinc/79/35/72/860793572.db2.gz MIWKOHUBWBEPFW-DHIUTWEWSA-N 1 2 378.472 3.690 20 30 GHEDLO COc1cc(C=NNc2cc[nH+]c3ccccc23)ccc1OC(=O)c1cccnc1 ZINC000730147794 860897729 /nfs/dbraw/zinc/89/77/29/860897729.db2.gz KHZBPPVHEKZCRT-UHFFFAOYSA-N 1 2 398.422 3.726 20 30 GHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000730274678 860995979 /nfs/dbraw/zinc/99/59/79/860995979.db2.gz NHRAFFFTBOQSBA-IBGZPJMESA-N 1 2 375.497 3.923 20 30 GHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000730274678 860995985 /nfs/dbraw/zinc/99/59/85/860995985.db2.gz NHRAFFFTBOQSBA-IBGZPJMESA-N 1 2 375.497 3.923 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C(C)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000329117362 861034609 /nfs/dbraw/zinc/03/46/09/861034609.db2.gz UMJLWHUCIOQDKS-GBESFXJTSA-N 1 2 395.906 3.972 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C(C)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000329117362 861034625 /nfs/dbraw/zinc/03/46/25/861034625.db2.gz UMJLWHUCIOQDKS-GBESFXJTSA-N 1 2 395.906 3.972 20 30 GHEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@H]2CCCc3nn(C)cc32)C[C@@H](C)O1 ZINC000329232844 861178567 /nfs/dbraw/zinc/17/85/67/861178567.db2.gz GJUWXGVLOVJVBA-NUJGCVRESA-N 1 2 382.508 3.737 20 30 GHEDLO COc1ccc(OCc2nc(C[NH2+]Cc3ccc(OCC#N)cc3)cs2)cc1 ZINC000172119634 863238454 /nfs/dbraw/zinc/23/84/54/863238454.db2.gz FTMIXLGYWJGBQR-UHFFFAOYSA-N 1 2 395.484 3.923 20 30 GHEDLO N#Cc1ccc(C2([NH2+]Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)CCC2)cc1 ZINC000594033192 863805117 /nfs/dbraw/zinc/80/51/17/863805117.db2.gz JSYXJSADYSYTAN-UHFFFAOYSA-N 1 2 375.388 3.685 20 30 GHEDLO CCC[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)Cc1ccc(C)cc1 ZINC000734149352 864011232 /nfs/dbraw/zinc/01/12/32/864011232.db2.gz IIBFBYKYHNOWQQ-IBGZPJMESA-N 1 2 388.471 3.732 20 30 GHEDLO CCC[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)Cc1ccc(C)cc1 ZINC000734149352 864011242 /nfs/dbraw/zinc/01/12/42/864011242.db2.gz IIBFBYKYHNOWQQ-IBGZPJMESA-N 1 2 388.471 3.732 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(Nc3ccc(F)cc3)CC2)c(C#N)c1C ZINC000101561341 864118877 /nfs/dbraw/zinc/11/88/77/864118877.db2.gz YOPIQMMPUWWDCJ-AWEZNQCLSA-N 1 2 384.455 3.811 20 30 GHEDLO C=CC[C@@H](NC(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1)c1ccncc1 ZINC000734679229 864378094 /nfs/dbraw/zinc/37/80/94/864378094.db2.gz FQSJQMQQSJEFPZ-JOCHJYFZSA-N 1 2 394.519 3.625 20 30 GHEDLO C=C(C)COCC[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000232474273 864519857 /nfs/dbraw/zinc/51/98/57/864519857.db2.gz NFEWIOWRNLNJAB-UHFFFAOYSA-N 1 2 379.092 3.600 20 30 GHEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](Cc2cccc3c2OCCCO3)CC1 ZINC000475332727 864795400 /nfs/dbraw/zinc/79/54/00/864795400.db2.gz KIHJGYKWCAKTMK-FQEVSTJZSA-N 1 2 397.906 3.884 20 30 GHEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](Cc2ccc(N3CCCC3)nc2)CC1 ZINC000475351169 864831980 /nfs/dbraw/zinc/83/19/80/864831980.db2.gz LHOCMBQDHMWAIH-NRFANRHFSA-N 1 2 395.938 3.718 20 30 GHEDLO C=CCn1c(Cc2ccccc2)nn(CN2CCC[C@@H](n3cc[nH+]c3)C2)c1=S ZINC000738148222 865497644 /nfs/dbraw/zinc/49/76/44/865497644.db2.gz IVCMRIXCORDQIN-LJQANCHMSA-N 1 2 394.548 3.682 20 30 GHEDLO C=CCn1c2nn(C[N@H+]3CCCCC[C@H]3C)c(=S)n2c2ccccc2c1=O ZINC000738226097 865505693 /nfs/dbraw/zinc/50/56/93/865505693.db2.gz JZGJQRYMZHGISA-OAHLLOKOSA-N 1 2 383.521 3.588 20 30 GHEDLO C=CCn1c2nn(C[N@@H+]3CCCCC[C@H]3C)c(=S)n2c2ccccc2c1=O ZINC000738226097 865505702 /nfs/dbraw/zinc/50/57/02/865505702.db2.gz JZGJQRYMZHGISA-OAHLLOKOSA-N 1 2 383.521 3.588 20 30 GHEDLO C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000508480348 865590383 /nfs/dbraw/zinc/59/03/83/865590383.db2.gz FWUTURZOLGDXIB-HXUWFJFHSA-N 1 2 388.519 3.728 20 30 GHEDLO COc1ccc(-c2cc(C[NH+]3CCN(c4ccc(C#N)cc4F)CC3)on2)cc1 ZINC000608779961 865688719 /nfs/dbraw/zinc/68/87/19/865688719.db2.gz MJMBEWHIXSBKKN-UHFFFAOYSA-N 1 2 392.434 3.683 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)C(C)(C)Cc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000456026735 866036145 /nfs/dbraw/zinc/03/61/45/866036145.db2.gz XEHBBIZSSZCWGY-LEWJYISDSA-N 1 2 397.469 3.967 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)C(C)(C)Cc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000456026735 866036158 /nfs/dbraw/zinc/03/61/58/866036158.db2.gz XEHBBIZSSZCWGY-LEWJYISDSA-N 1 2 397.469 3.967 20 30 GHEDLO C=CCCOCCNC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000534538744 866972479 /nfs/dbraw/zinc/97/24/79/866972479.db2.gz YZEXRBAWLISDJK-KRWDZBQOSA-N 1 2 383.895 3.508 20 30 GHEDLO COc1cc(OC)c2ncc(C#N)c(NCc3cc[nH+]c(N4CCCC4)c3)c2c1 ZINC000553251699 867052896 /nfs/dbraw/zinc/05/28/96/867052896.db2.gz FUBLMCRMEGZFNQ-UHFFFAOYSA-N 1 2 389.459 3.731 20 30 GHEDLO N#Cc1ccc(C2=CC[N@H+]([C@H]3CC(=O)N(c4cccc(Cl)c4)C3=O)CC2)cc1 ZINC000535059125 868061412 /nfs/dbraw/zinc/06/14/12/868061412.db2.gz CARVUWMDUIDONO-FQEVSTJZSA-N 1 2 391.858 3.633 20 30 GHEDLO N#Cc1ccc(C2=CC[N@@H+]([C@H]3CC(=O)N(c4cccc(Cl)c4)C3=O)CC2)cc1 ZINC000535059125 868061425 /nfs/dbraw/zinc/06/14/25/868061425.db2.gz CARVUWMDUIDONO-FQEVSTJZSA-N 1 2 391.858 3.633 20 30 GHEDLO C[S@@](=O)C[C@@H]([NH2+]Cc1ccc(Br)cc1C#N)c1ccccc1 ZINC000553878402 868360822 /nfs/dbraw/zinc/36/08/22/868360822.db2.gz DQVCDBDZUMUUNI-VGOFRKELSA-N 1 2 377.307 3.530 20 30 GHEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)c(C#N)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000457718502 868679522 /nfs/dbraw/zinc/67/95/22/868679522.db2.gz VVFVKJGGABQEAW-IEBWSBKVSA-N 1 2 386.858 3.620 20 30 GHEDLO CC[N@H+]1CC[C@@H](NC(=O)c2cc(C)c(C#N)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000457718502 868679532 /nfs/dbraw/zinc/67/95/32/868679532.db2.gz VVFVKJGGABQEAW-IEBWSBKVSA-N 1 2 386.858 3.620 20 30 GHEDLO CC(C)(C)C(=O)N1CC[NH+](Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000128343914 868806293 /nfs/dbraw/zinc/80/62/93/868806293.db2.gz OBJXIAZATNMXEQ-UHFFFAOYSA-N 1 2 391.515 3.828 20 30 GHEDLO Cc1cc(C2CC[NH+](CC(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)n[nH]1 ZINC000543910237 868940545 /nfs/dbraw/zinc/94/05/45/868940545.db2.gz SJAXMMACGNMJOG-HNNXBMFYSA-N 1 2 397.548 3.788 20 30 GHEDLO Cc1cc(C2CC[NH+](CC(=O)Nc3ccccc3SC[C@@H](C)C#N)CC2)[nH]n1 ZINC000543910237 868940552 /nfs/dbraw/zinc/94/05/52/868940552.db2.gz SJAXMMACGNMJOG-HNNXBMFYSA-N 1 2 397.548 3.788 20 30 GHEDLO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000440922057 869267222 /nfs/dbraw/zinc/26/72/22/869267222.db2.gz XNJYQUPKKJIGIP-LJQANCHMSA-N 1 2 389.455 3.707 20 30 GHEDLO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000440922057 869267232 /nfs/dbraw/zinc/26/72/32/869267232.db2.gz XNJYQUPKKJIGIP-LJQANCHMSA-N 1 2 389.455 3.707 20 30 GHEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000491262150 869302464 /nfs/dbraw/zinc/30/24/64/869302464.db2.gz XNHGTKGPTACVAR-UHFFFAOYSA-N 1 2 378.476 3.751 20 30 GHEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000491262150 869302471 /nfs/dbraw/zinc/30/24/71/869302471.db2.gz XNHGTKGPTACVAR-UHFFFAOYSA-N 1 2 378.476 3.751 20 30 GHEDLO Cn1c(-c2ccccc2)cn(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1=S ZINC000793592638 882298824 /nfs/dbraw/zinc/29/88/24/882298824.db2.gz SPXLHIITOUSMBC-SFHVURJKSA-N 1 2 391.500 3.601 20 30 GHEDLO Cn1c(-c2ccccc2)cn(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1=S ZINC000793592638 882298839 /nfs/dbraw/zinc/29/88/39/882298839.db2.gz SPXLHIITOUSMBC-SFHVURJKSA-N 1 2 391.500 3.601 20 30 GHEDLO CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2ccccc2C[NH+]2CCOCC2)cc1 ZINC000428793736 869573426 /nfs/dbraw/zinc/57/34/26/869573426.db2.gz LIWXORMFJKGSDN-QFIPXVFZSA-N 1 2 391.515 3.811 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(Cc3ccc(Br)c(F)c3)CC2)s1 ZINC000539825845 869858928 /nfs/dbraw/zinc/85/89/28/869858928.db2.gz VDQPLIKYAVRSGO-UHFFFAOYSA-N 1 2 394.313 3.839 20 30 GHEDLO C=CCOc1ccc(/C=C/C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1OC ZINC000920768867 882370493 /nfs/dbraw/zinc/37/04/93/882370493.db2.gz WDPJOKDURQYUQV-MFUYTVRRSA-N 1 2 383.492 3.701 20 30 GHEDLO N#Cc1ccc(N2CC[C@H]([NH+]3CCC(c4ncccc4Cl)CC3)C2=O)cc1 ZINC000617556908 870334623 /nfs/dbraw/zinc/33/46/23/870334623.db2.gz OVIRMZRVSTZJIE-IBGZPJMESA-N 1 2 380.879 3.592 20 30 GHEDLO C[C@H](C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1)c1cccc(C#N)c1 ZINC000461740588 870887641 /nfs/dbraw/zinc/88/76/41/870887641.db2.gz UUFCIVPVYWXWGQ-KRWDZBQOSA-N 1 2 397.906 3.538 20 30 GHEDLO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2nnc(-c3cccc(C#N)c3)o2)c1 ZINC000441188135 870926602 /nfs/dbraw/zinc/92/66/02/870926602.db2.gz JGPWSRYTLCWQON-IBGZPJMESA-N 1 2 390.443 3.963 20 30 GHEDLO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2nnc(-c3cccc(C#N)c3)o2)c1 ZINC000441188135 870926616 /nfs/dbraw/zinc/92/66/16/870926616.db2.gz JGPWSRYTLCWQON-IBGZPJMESA-N 1 2 390.443 3.963 20 30 GHEDLO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000540587606 871687134 /nfs/dbraw/zinc/68/71/34/871687134.db2.gz ONLIOHDAONZBJJ-UHFFFAOYSA-N 1 2 383.373 3.732 20 30 GHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)CCc1cccc(Br)c1 ZINC000463424800 871704673 /nfs/dbraw/zinc/70/46/73/871704673.db2.gz PURGYQXEPDTYCL-GOSISDBHSA-N 1 2 387.277 3.709 20 30 GHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCc1cccc(Br)c1 ZINC000463424800 871704680 /nfs/dbraw/zinc/70/46/80/871704680.db2.gz PURGYQXEPDTYCL-GOSISDBHSA-N 1 2 387.277 3.709 20 30 GHEDLO COc1ccc(C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1OCCCC#N ZINC000093458028 882543101 /nfs/dbraw/zinc/54/31/01/882543101.db2.gz GMHFISBYXJZKTC-QFIPXVFZSA-N 1 2 382.460 3.657 20 30 GHEDLO COc1ccc(C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1OCCCC#N ZINC000093458028 882543109 /nfs/dbraw/zinc/54/31/09/882543109.db2.gz GMHFISBYXJZKTC-QFIPXVFZSA-N 1 2 382.460 3.657 20 30 GHEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)CC1 ZINC000618854371 872080089 /nfs/dbraw/zinc/08/00/89/872080089.db2.gz VRDZAFCEVDKWHT-FOIQADDNSA-N 1 2 380.517 3.695 20 30 GHEDLO CC(C)c1cccc(S(=O)(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC001195179966 872207009 /nfs/dbraw/zinc/20/70/09/872207009.db2.gz NBDLXVLXKFCYMV-UHFFFAOYSA-N 1 2 397.544 3.647 20 30 GHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000478006530 872305565 /nfs/dbraw/zinc/30/55/65/872305565.db2.gz ZSRPVSKUHWALAN-IBGZPJMESA-N 1 2 379.426 3.849 20 30 GHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000478006530 872305577 /nfs/dbraw/zinc/30/55/77/872305577.db2.gz ZSRPVSKUHWALAN-IBGZPJMESA-N 1 2 379.426 3.849 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(Cc3ncc(-c4ccc(F)cc4)o3)CC2)cc1 ZINC000022802723 872399996 /nfs/dbraw/zinc/39/99/96/872399996.db2.gz QWNZQFICMFIPSB-UHFFFAOYSA-N 1 2 376.435 3.670 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cn(C)nc2-c2cc3ccccc3o2)c1 ZINC000768915339 873683329 /nfs/dbraw/zinc/68/33/29/873683329.db2.gz GOJOUGOECOAELB-UHFFFAOYSA-N 1 2 398.466 3.885 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cn(C)nc2-c2cc3ccccc3o2)c1 ZINC000768915339 873683332 /nfs/dbraw/zinc/68/33/32/873683332.db2.gz GOJOUGOECOAELB-UHFFFAOYSA-N 1 2 398.466 3.885 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(c2ncccn2)CC1 ZINC001197946558 874135749 /nfs/dbraw/zinc/13/57/49/874135749.db2.gz CMEMYOFZTVPIIN-MRXNPFEDSA-N 1 2 395.532 3.546 20 30 GHEDLO C[N@H+](Cc1cc(-c2ccccc2)n[nH]1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001198534093 874466270 /nfs/dbraw/zinc/46/62/70/874466270.db2.gz SMKDFHUZSWSTHX-QFIPXVFZSA-N 1 2 385.471 3.576 20 30 GHEDLO C[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001198534093 874466273 /nfs/dbraw/zinc/46/62/73/874466273.db2.gz SMKDFHUZSWSTHX-QFIPXVFZSA-N 1 2 385.471 3.576 20 30 GHEDLO C[C@H](C#N)CNC(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000541945844 874576698 /nfs/dbraw/zinc/57/66/98/874576698.db2.gz XTEPOLJRMXDAQM-UTKZUKDTSA-N 1 2 396.922 3.916 20 30 GHEDLO CC[N@@H+]1CC[C@@H](NC(=O)N2CCC(CC#N)CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542039251 874832674 /nfs/dbraw/zinc/83/26/74/874832674.db2.gz PLSYFUPORSRJCH-IEBWSBKVSA-N 1 2 394.441 3.574 20 30 GHEDLO CC[N@H+]1CC[C@@H](NC(=O)N2CCC(CC#N)CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542039251 874832683 /nfs/dbraw/zinc/83/26/83/874832683.db2.gz PLSYFUPORSRJCH-IEBWSBKVSA-N 1 2 394.441 3.574 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(Nc3cccc(C)c3)CC2)c(C#N)c1C ZINC000153068691 874995078 /nfs/dbraw/zinc/99/50/78/874995078.db2.gz JTQCOAGMNYVYDP-INIZCTEOSA-N 1 2 380.492 3.980 20 30 GHEDLO C[C@@H](CC#N)N[NH+]=CC1=C(N2CCOCC2)/C(=C/c2ccc(Cl)cc2)CC1 ZINC000771886212 875514686 /nfs/dbraw/zinc/51/46/86/875514686.db2.gz ODFZHJFBZCWWTB-VWOOZDFXSA-N 1 2 384.911 3.981 20 30 GHEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000492079848 876182571 /nfs/dbraw/zinc/18/25/71/876182571.db2.gz LKSDPIXMJUZDBX-UHFFFAOYSA-N 1 2 388.475 3.888 20 30 GHEDLO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@@H+]3C[C@H](O)C[C@H]3C)sc2C1 ZINC000530360759 877628653 /nfs/dbraw/zinc/62/86/53/877628653.db2.gz INBKNSASHJCBAF-RBSFLKMASA-N 1 2 389.565 3.554 20 30 GHEDLO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@H+]3C[C@H](O)C[C@H]3C)sc2C1 ZINC000530360759 877628656 /nfs/dbraw/zinc/62/86/56/877628656.db2.gz INBKNSASHJCBAF-RBSFLKMASA-N 1 2 389.565 3.554 20 30 GHEDLO COc1cccc2c1[nH+]cc(C)c2N1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000615691527 878014035 /nfs/dbraw/zinc/01/40/35/878014035.db2.gz RPBYXQIIVLCVAX-UHFFFAOYSA-N 1 2 389.459 3.616 20 30 GHEDLO C#CCn1ccc(CN(CC)c2c(C(=O)OCC)c[nH+]c3ccc(C)cc32)n1 ZINC000788565153 878156335 /nfs/dbraw/zinc/15/63/35/878156335.db2.gz FHAKMEJCTQINGG-UHFFFAOYSA-N 1 2 376.460 3.576 20 30 GHEDLO CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852329470 878246194 /nfs/dbraw/zinc/24/61/94/878246194.db2.gz BBLAQQHYOJEWGP-NRFANRHFSA-N 1 2 380.517 3.689 20 30 GHEDLO CSc1ccccc1NC(=O)CC[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852329470 878246206 /nfs/dbraw/zinc/24/62/06/878246206.db2.gz BBLAQQHYOJEWGP-NRFANRHFSA-N 1 2 380.517 3.689 20 30 GHEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000852333059 878250601 /nfs/dbraw/zinc/25/06/01/878250601.db2.gz YNMTYABZSZKTCZ-QUCCMNQESA-N 1 2 389.421 3.561 20 30 GHEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000852333059 878250621 /nfs/dbraw/zinc/25/06/21/878250621.db2.gz YNMTYABZSZKTCZ-QUCCMNQESA-N 1 2 389.421 3.561 20 30 GHEDLO C[C@]12CC[N@H+](Cc3ccccc3C#N)C[C@H]1C2(Br)Br ZINC000852335193 878256041 /nfs/dbraw/zinc/25/60/41/878256041.db2.gz CCIHIWMGRPWBNI-KGLIPLIRSA-N 1 2 384.115 3.886 20 30 GHEDLO C[C@]12CC[N@@H+](Cc3ccccc3C#N)C[C@H]1C2(Br)Br ZINC000852335193 878256052 /nfs/dbraw/zinc/25/60/52/878256052.db2.gz CCIHIWMGRPWBNI-KGLIPLIRSA-N 1 2 384.115 3.886 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000451652887 878268669 /nfs/dbraw/zinc/26/86/69/878268669.db2.gz LQUKCXMCTWWLEU-RHSMWYFYSA-N 1 2 375.563 3.847 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCSC[C@@H]1C1CC1 ZINC000451652887 878268684 /nfs/dbraw/zinc/26/86/84/878268684.db2.gz LQUKCXMCTWWLEU-RHSMWYFYSA-N 1 2 375.563 3.847 20 30 GHEDLO C=C(Br)C[NH+]1CCC(Cc2nc(C3(OC)CCCC3)no2)CC1 ZINC000852787408 878601375 /nfs/dbraw/zinc/60/13/75/878601375.db2.gz RWRKOCKOTGUZRO-UHFFFAOYSA-N 1 2 384.318 3.648 20 30 GHEDLO OC1CCN(c2ccc(C=[NH+]Nc3ccc(Br)cc3F)cc2)CC1 ZINC000853303727 878960886 /nfs/dbraw/zinc/96/08/86/878960886.db2.gz XHYWUGCSJOFQSJ-UHFFFAOYSA-N 1 2 392.272 3.995 20 30 GHEDLO CC(=[NH+]Nc1cc(C#N)ccc1Br)c1cccc(N2CCOCC2)c1 ZINC000853395988 879002027 /nfs/dbraw/zinc/00/20/27/879002027.db2.gz RGYNAEKOIDZGDX-UHFFFAOYSA-N 1 2 399.292 3.993 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+]2CC[C@]3(C2)CCCOC3)c1=S ZINC000789543401 879064025 /nfs/dbraw/zinc/06/40/25/879064025.db2.gz CCKUUJJCLUYYEK-FQEVSTJZSA-N 1 2 388.512 3.866 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+]2CC[C@]3(C2)CCCOC3)c1=S ZINC000789543401 879064043 /nfs/dbraw/zinc/06/40/43/879064043.db2.gz CCKUUJJCLUYYEK-FQEVSTJZSA-N 1 2 388.512 3.866 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)ccc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000285754723 912421536 /nfs/dbraw/zinc/42/15/36/912421536.db2.gz IDOPGRVZGQUWCN-ROUUACIJSA-N 1 2 375.806 3.665 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)c2cc(C#N)ccc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000285754723 912421542 /nfs/dbraw/zinc/42/15/42/912421542.db2.gz IDOPGRVZGQUWCN-ROUUACIJSA-N 1 2 375.806 3.665 20 30 GHEDLO CC(C)(C)OC(=O)NCc1ccc(C(N)=[NH+]OCc2csc(Cl)n2)cc1 ZINC000853688689 879220971 /nfs/dbraw/zinc/22/09/71/879220971.db2.gz GORZLKLYPAQMAT-UHFFFAOYSA-N 1 2 396.900 3.658 20 30 GHEDLO CCOc1ccc(C2=CC[N@@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)CC2)cc1 ZINC000509490086 881061151 /nfs/dbraw/zinc/06/11/51/881061151.db2.gz UQCOILRJQKODRO-HXUWFJFHSA-N 1 2 393.512 3.913 20 30 GHEDLO CCOc1ccc(C2=CC[N@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)CC2)cc1 ZINC000509490086 881061168 /nfs/dbraw/zinc/06/11/68/881061168.db2.gz UQCOILRJQKODRO-HXUWFJFHSA-N 1 2 393.512 3.913 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)Cc2c(F)cccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000556942556 881158381 /nfs/dbraw/zinc/15/83/81/881158381.db2.gz CIYHBEGHXIZQLQ-UYAOXDASSA-N 1 2 389.833 3.594 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)Cc2c(F)cccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000556942556 881158385 /nfs/dbraw/zinc/15/83/85/881158385.db2.gz CIYHBEGHXIZQLQ-UYAOXDASSA-N 1 2 389.833 3.594 20 30 GHEDLO CC(C)(C#N)c1ccccc1C[NH+]1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000135172886 883240800 /nfs/dbraw/zinc/24/08/00/883240800.db2.gz GTIIIIJGKOVJCI-UHFFFAOYSA-N 1 2 386.499 3.927 20 30 GHEDLO C=C1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC001183623786 912707465 /nfs/dbraw/zinc/70/74/65/912707465.db2.gz SBFODQBRTRNUCV-QFIPXVFZSA-N 1 2 396.491 3.826 20 30 GHEDLO C[N@@H+](Cc1ccc(F)cc1C#N)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000609710697 883567129 /nfs/dbraw/zinc/56/71/29/883567129.db2.gz NNUITEUEUIUANE-MRXNPFEDSA-N 1 2 382.357 3.588 20 30 GHEDLO C[N@H+](Cc1ccc(F)cc1C#N)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000609710697 883567142 /nfs/dbraw/zinc/56/71/42/883567142.db2.gz NNUITEUEUIUANE-MRXNPFEDSA-N 1 2 382.357 3.588 20 30 GHEDLO N#Cc1cccc([C@@H]2C[N@H+](CCOc3cccc(Br)c3)CCO2)c1 ZINC000761759056 884060105 /nfs/dbraw/zinc/06/01/05/884060105.db2.gz LHJPYPGIHJGSAK-IBGZPJMESA-N 1 2 387.277 3.773 20 30 GHEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCOc3cccc(Br)c3)CCO2)c1 ZINC000761759056 884060119 /nfs/dbraw/zinc/06/01/19/884060119.db2.gz LHJPYPGIHJGSAK-IBGZPJMESA-N 1 2 387.277 3.773 20 30 GHEDLO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000805760200 884088421 /nfs/dbraw/zinc/08/84/21/884088421.db2.gz ALIXKIOSBFJHAY-MRXNPFEDSA-N 1 2 381.423 3.602 20 30 GHEDLO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000805760200 884088434 /nfs/dbraw/zinc/08/84/34/884088434.db2.gz ALIXKIOSBFJHAY-MRXNPFEDSA-N 1 2 381.423 3.602 20 30 GHEDLO N#Cc1c(F)cccc1N1CC[NH+](C[C@@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000918737926 884257435 /nfs/dbraw/zinc/25/74/35/884257435.db2.gz SXMOHNCLDQAOOI-LJQANCHMSA-N 1 2 393.384 3.572 20 30 GHEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C1(c2ccc(C#N)cc2)CCCC1 ZINC000860263850 884505714 /nfs/dbraw/zinc/50/57/14/884505714.db2.gz FOALGZFPEYDAFE-UHFFFAOYSA-N 1 2 390.487 3.549 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2ccc(C/N=C/c3cc([N+](=O)[O-])ccc3O)cc2)C[C@H](C)O1 ZINC000914866030 885060200 /nfs/dbraw/zinc/06/02/00/885060200.db2.gz DQEXNANIZKAPLN-RULQDBOMSA-N 1 2 383.448 3.529 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2ccc(C/N=C/c3cc([N+](=O)[O-])ccc3O)cc2)C[C@H](C)O1 ZINC000914866030 885060213 /nfs/dbraw/zinc/06/02/13/885060213.db2.gz DQEXNANIZKAPLN-RULQDBOMSA-N 1 2 383.448 3.529 20 30 GHEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000556486054 885121034 /nfs/dbraw/zinc/12/10/34/885121034.db2.gz OZFSZNZYXOOOJX-JOCHJYFZSA-N 1 2 388.471 3.523 20 30 GHEDLO C=CCOc1ccc(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cc1OC ZINC000107276541 885331106 /nfs/dbraw/zinc/33/11/06/885331106.db2.gz FKGRKGQNRPCIEZ-UHFFFAOYSA-N 1 2 395.503 3.965 20 30 GHEDLO CC(C)(C)[C@@H]1CC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1O ZINC000495475341 885898554 /nfs/dbraw/zinc/89/85/54/885898554.db2.gz JTCHZOZXWHEEAI-IAGOWNOFSA-N 1 2 389.565 3.556 20 30 GHEDLO CC(C)(C)[C@@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1O ZINC000495475341 885898561 /nfs/dbraw/zinc/89/85/61/885898561.db2.gz JTCHZOZXWHEEAI-IAGOWNOFSA-N 1 2 389.565 3.556 20 30 GHEDLO COC(=O)c1cc(CO[NH+]=C(N)c2ccc(OCc3ccccc3)cc2)c(C)o1 ZINC000747453849 885968369 /nfs/dbraw/zinc/96/83/69/885968369.db2.gz XZWLTAAJPYGPRP-UHFFFAOYSA-N 1 2 394.427 3.791 20 30 GHEDLO OCC1(C(F)(F)F)CC[NH+](Cc2cccc(F)c2OC(F)(F)F)CC1 ZINC001184098580 913000585 /nfs/dbraw/zinc/00/05/85/913000585.db2.gz ZGQIGXWIDUMHDT-UHFFFAOYSA-N 1 2 375.284 3.861 20 30 GHEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000532570659 886137731 /nfs/dbraw/zinc/13/77/31/886137731.db2.gz BXBRMBTWHICOST-CRAIPNDOSA-N 1 2 379.435 3.619 20 30 GHEDLO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000532570659 886137742 /nfs/dbraw/zinc/13/77/42/886137742.db2.gz BXBRMBTWHICOST-CRAIPNDOSA-N 1 2 379.435 3.619 20 30 GHEDLO CC[N@H+](CC(=O)N1CCC[C@]2(CCCCO2)[C@H]1C#N)Cc1ccccc1Cl ZINC000556785588 886169818 /nfs/dbraw/zinc/16/98/18/886169818.db2.gz PWHUFFHPUPHOLO-TZIWHRDSSA-N 1 2 389.927 3.616 20 30 GHEDLO CC[N@@H+](CC(=O)N1CCC[C@]2(CCCCO2)[C@H]1C#N)Cc1ccccc1Cl ZINC000556785588 886169826 /nfs/dbraw/zinc/16/98/26/886169826.db2.gz PWHUFFHPUPHOLO-TZIWHRDSSA-N 1 2 389.927 3.616 20 30 GHEDLO CC(C)[C@H](C(=O)N(O)Cc1cc(Cl)cc(Cl)c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001184235713 913093150 /nfs/dbraw/zinc/09/31/50/913093150.db2.gz NGONIMLFOBQOHK-PBFPGSCMSA-N 1 2 389.323 3.845 20 30 GHEDLO CC(C)C[N@@H+](Cc1ccc(F)c(Cl)c1)Cn1nc(CC#N)n(C)c1=S ZINC000863280358 887001529 /nfs/dbraw/zinc/00/15/29/887001529.db2.gz FCMMWQYTTYESOH-UHFFFAOYSA-N 1 2 381.908 3.925 20 30 GHEDLO CC(C)C[N@H+](Cc1ccc(F)c(Cl)c1)Cn1nc(CC#N)n(C)c1=S ZINC000863280358 887001542 /nfs/dbraw/zinc/00/15/42/887001542.db2.gz FCMMWQYTTYESOH-UHFFFAOYSA-N 1 2 381.908 3.925 20 30 GHEDLO C#CCOc1cccc(-c2noc([C@@H](c3ccccc3)[NH+]3CCSCC3)n2)c1 ZINC000809341972 887307271 /nfs/dbraw/zinc/30/72/71/887307271.db2.gz HDWSBMXMLOWEBZ-HXUWFJFHSA-N 1 2 391.496 3.887 20 30 GHEDLO COc1ccc(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)cc1Br ZINC000794701346 887873627 /nfs/dbraw/zinc/87/36/27/887873627.db2.gz ZYPZSGMYGLZBNM-ALCCZGGFSA-N 1 2 381.295 3.872 20 30 GHEDLO C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000287256094 913217373 /nfs/dbraw/zinc/21/73/73/913217373.db2.gz HCVYQIDYJCYNLX-OAQYLSRUSA-N 1 2 390.531 3.743 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1C ZINC000810092476 888185581 /nfs/dbraw/zinc/18/55/81/888185581.db2.gz BUIMKWIWBBKJBH-IFMALSPDSA-N 1 2 381.520 3.584 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1C ZINC000810092476 888185594 /nfs/dbraw/zinc/18/55/94/888185594.db2.gz BUIMKWIWBBKJBH-IFMALSPDSA-N 1 2 381.520 3.584 20 30 GHEDLO COc1cccc(C2(F)CC[NH+]([C@@H]3CCN(c4sccc4C#N)C3=O)CC2)c1 ZINC000532735679 888794569 /nfs/dbraw/zinc/79/45/69/888794569.db2.gz JFJIAFUSPRZZJE-GOSISDBHSA-N 1 2 399.491 3.694 20 30 GHEDLO C[C@@H]([NH2+]C1CCN(C(=O)CCc2ccccc2)CC1)c1cccc(C#N)c1O ZINC000866245876 888797065 /nfs/dbraw/zinc/79/70/65/888797065.db2.gz GWLQUVYYUPVVMK-QGZVFWFLSA-N 1 2 377.488 3.538 20 30 GHEDLO CC(C)c1ccc(OC2CC[NH+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000532918923 889327020 /nfs/dbraw/zinc/32/70/20/889327020.db2.gz DIDGXZLERFJRMW-JOCHJYFZSA-N 1 2 377.488 3.751 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000811454087 889614144 /nfs/dbraw/zinc/61/41/44/889614144.db2.gz GDPZWARHDOPOAR-HOCLYGCPSA-N 1 2 376.526 3.626 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000811454087 889614151 /nfs/dbraw/zinc/61/41/51/889614151.db2.gz GDPZWARHDOPOAR-HOCLYGCPSA-N 1 2 376.526 3.626 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000454727684 889630514 /nfs/dbraw/zinc/63/05/14/889630514.db2.gz KZNYFJXVGZVZFG-KYABYICQSA-N 1 2 378.879 3.606 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000454727684 889630539 /nfs/dbraw/zinc/63/05/39/889630539.db2.gz KZNYFJXVGZVZFG-KYABYICQSA-N 1 2 378.879 3.606 20 30 GHEDLO CC(C)OC1CC[NH+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000533338559 890322228 /nfs/dbraw/zinc/32/22/28/890322228.db2.gz FVRYIORCDCGQQZ-UHFFFAOYSA-N 1 2 375.538 3.717 20 30 GHEDLO CC[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(Cl)c1O ZINC000287619291 913447681 /nfs/dbraw/zinc/44/76/81/913447681.db2.gz JTJLQRUOOSHZIJ-RBUKOAKNSA-N 1 2 383.879 3.759 20 30 GHEDLO C#C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000812351962 890554624 /nfs/dbraw/zinc/55/46/24/890554624.db2.gz XHMQWHZWYRGBBO-MRXNPFEDSA-N 1 2 380.791 3.538 20 30 GHEDLO N#Cc1cc(Br)ccc1C[NH2+][C@H](CN1CCCC1=O)c1ccccc1 ZINC000287692430 913489665 /nfs/dbraw/zinc/48/96/65/913489665.db2.gz ITDFDLNFJGFQQW-LJQANCHMSA-N 1 2 398.304 3.774 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)Nc2cc(CC#N)ccn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000871725698 890992433 /nfs/dbraw/zinc/99/24/33/890992433.db2.gz JIIWNUPSSPFLGA-FUHWJXTLSA-N 1 2 387.846 3.507 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)Nc2cc(CC#N)ccn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000871725698 890992442 /nfs/dbraw/zinc/99/24/42/890992442.db2.gz JIIWNUPSSPFLGA-FUHWJXTLSA-N 1 2 387.846 3.507 20 30 GHEDLO Cc1ccc([C@@H]([NH2+]C[C@@H](C#N)CCC#N)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000562994004 893254059 /nfs/dbraw/zinc/25/40/59/893254059.db2.gz SYJMTSAXCUCMEY-GCJKJVERSA-N 1 2 395.528 3.830 20 30 GHEDLO Cn1cc([C@@H]2CSCCC[N@@H+]2Cc2cc(C#N)ccc2Br)cn1 ZINC000933978714 893334116 /nfs/dbraw/zinc/33/41/16/893334116.db2.gz SZXAYHGXBGEHLY-KRWDZBQOSA-N 1 2 391.338 3.734 20 30 GHEDLO Cn1cc([C@@H]2CSCCC[N@H+]2Cc2cc(C#N)ccc2Br)cn1 ZINC000933978714 893334130 /nfs/dbraw/zinc/33/41/30/893334130.db2.gz SZXAYHGXBGEHLY-KRWDZBQOSA-N 1 2 391.338 3.734 20 30 GHEDLO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)C1=O ZINC000563233169 893506333 /nfs/dbraw/zinc/50/63/33/893506333.db2.gz OKMZYNYNPUAGSM-RTBURBONSA-N 1 2 393.512 3.579 20 30 GHEDLO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)C1=O ZINC000563233169 893506351 /nfs/dbraw/zinc/50/63/51/893506351.db2.gz OKMZYNYNPUAGSM-RTBURBONSA-N 1 2 393.512 3.579 20 30 GHEDLO COC[C@@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1cccc(Br)c1 ZINC000877758901 893797989 /nfs/dbraw/zinc/79/79/89/893797989.db2.gz NKHBSQOKQWXSEX-OAHLLOKOSA-N 1 2 380.673 3.846 20 30 GHEDLO CC(=O)CCN(CCNc1[nH+]cccc1CC#N)c1nc2cc(Cl)ccc2o1 ZINC001170795569 894077565 /nfs/dbraw/zinc/07/75/65/894077565.db2.gz LQEJTYQNLSMVLC-UHFFFAOYSA-N 1 2 397.866 3.840 20 30 GHEDLO CCOC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000459714686 894137685 /nfs/dbraw/zinc/13/76/85/894137685.db2.gz OOYATOQWUNGMHX-DLBZAZTESA-N 1 2 375.538 3.910 20 30 GHEDLO CCOC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000459714686 894137689 /nfs/dbraw/zinc/13/76/89/894137689.db2.gz OOYATOQWUNGMHX-DLBZAZTESA-N 1 2 375.538 3.910 20 30 GHEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000537121565 894342945 /nfs/dbraw/zinc/34/29/45/894342945.db2.gz AQGAXMCJLXSTSN-APWZRJJASA-N 1 2 389.858 3.614 20 30 GHEDLO C=CCOc1cccnc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000537121565 894342961 /nfs/dbraw/zinc/34/29/61/894342961.db2.gz AQGAXMCJLXSTSN-APWZRJJASA-N 1 2 389.858 3.614 20 30 GHEDLO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)ccc1OC ZINC000127908147 895192243 /nfs/dbraw/zinc/19/22/43/895192243.db2.gz YSLHKIVYPWJZCZ-GHTZIAJQSA-N 1 2 376.460 3.978 20 30 GHEDLO Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2c(C#N)c(C)nn2-c2ccccc2)no1 ZINC000879682668 895230663 /nfs/dbraw/zinc/23/06/63/895230663.db2.gz HWJDGLJRWMSMGB-JLYLLQBASA-N 1 2 388.475 3.654 20 30 GHEDLO Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2c(C#N)c(C)nn2-c2ccccc2)no1 ZINC000879682668 895230680 /nfs/dbraw/zinc/23/06/80/895230680.db2.gz HWJDGLJRWMSMGB-JLYLLQBASA-N 1 2 388.475 3.654 20 30 GHEDLO CC1(C)CN(C(=O)C2C[NH+](Cc3ccc(C#N)o3)C2)c2cc(C3CC3)ccc21 ZINC000565259544 895483098 /nfs/dbraw/zinc/48/30/98/895483098.db2.gz NSHKOHZBAKKQLN-UHFFFAOYSA-N 1 2 375.472 3.785 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000880320063 895637480 /nfs/dbraw/zinc/63/74/80/895637480.db2.gz NMXZNUMKLKCJOV-LSDHHAIUSA-N 1 2 386.546 3.965 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000880320063 895637488 /nfs/dbraw/zinc/63/74/88/895637488.db2.gz NMXZNUMKLKCJOV-LSDHHAIUSA-N 1 2 386.546 3.965 20 30 GHEDLO N#Cc1sccc1C(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001136017001 895912655 /nfs/dbraw/zinc/91/26/55/895912655.db2.gz UDIHPRGRHIPZGW-UHFFFAOYSA-N 1 2 379.407 3.597 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(CC#N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000881148459 896199804 /nfs/dbraw/zinc/19/98/04/896199804.db2.gz ZIYMHUHEYMPRLG-SJLPKXTDSA-N 1 2 387.846 3.507 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)Nc2cccc(CC#N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000881148459 896199811 /nfs/dbraw/zinc/19/98/11/896199811.db2.gz ZIYMHUHEYMPRLG-SJLPKXTDSA-N 1 2 387.846 3.507 20 30 GHEDLO C=CC[N@@H+](CC(=O)N[C@H](C)Cc1c(F)cccc1F)Cc1cccc(C#N)c1 ZINC000567378869 897103942 /nfs/dbraw/zinc/10/39/42/897103942.db2.gz JAOMWZBKEPTSQH-MRXNPFEDSA-N 1 2 383.442 3.572 20 30 GHEDLO C=CC[N@H+](CC(=O)N[C@H](C)Cc1c(F)cccc1F)Cc1cccc(C#N)c1 ZINC000567378869 897103950 /nfs/dbraw/zinc/10/39/50/897103950.db2.gz JAOMWZBKEPTSQH-MRXNPFEDSA-N 1 2 383.442 3.572 20 30 GHEDLO C=C(C)CN1C[C@@]2(F)C[N@H+](C[C@@H]3C[C@H]3c3ccc(Cl)cc3)C[C@@]2(F)C1=O ZINC001275477163 914154375 /nfs/dbraw/zinc/15/43/75/914154375.db2.gz GZPLTWNZRDXOBJ-LWCVALJOSA-N 1 2 380.866 3.594 20 30 GHEDLO C=C(C)CN1C[C@@]2(F)C[N@@H+](C[C@@H]3C[C@H]3c3ccc(Cl)cc3)C[C@@]2(F)C1=O ZINC001275477163 914154382 /nfs/dbraw/zinc/15/43/82/914154382.db2.gz GZPLTWNZRDXOBJ-LWCVALJOSA-N 1 2 380.866 3.594 20 30 GHEDLO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000568192351 897665873 /nfs/dbraw/zinc/66/58/73/897665873.db2.gz IFNINXOKTHALCE-LBPRGKRZSA-N 1 2 380.261 3.705 20 30 GHEDLO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000568192351 897665881 /nfs/dbraw/zinc/66/58/81/897665881.db2.gz IFNINXOKTHALCE-LBPRGKRZSA-N 1 2 380.261 3.705 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)[C@@H]2CC[N@@H+]2Cc2ccc(OC)cc2)cc1 ZINC001136612081 898538960 /nfs/dbraw/zinc/53/89/60/898538960.db2.gz QKVZVAAUXRSWRY-QFIPXVFZSA-N 1 2 393.487 3.615 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)[C@@H]2CC[N@H+]2Cc2ccc(OC)cc2)cc1 ZINC001136612081 898538975 /nfs/dbraw/zinc/53/89/75/898538975.db2.gz QKVZVAAUXRSWRY-QFIPXVFZSA-N 1 2 393.487 3.615 20 30 GHEDLO N#Cc1ccc(Nc2cccc(C(=O)NCCc3cn4c([nH+]3)CCCC4)c2)cc1 ZINC000155809668 899092458 /nfs/dbraw/zinc/09/24/58/899092458.db2.gz LJGJDWOKEOGNMJ-UHFFFAOYSA-N 1 2 385.471 3.807 20 30 GHEDLO CC[N@@H+]1CC[C@@H](NC(=O)N2CCC(C)(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000331962046 899303404 /nfs/dbraw/zinc/30/34/04/899303404.db2.gz VFAHEXFACTUSBD-QZTJIDSGSA-N 1 2 392.906 3.950 20 30 GHEDLO CC[N@H+]1CC[C@@H](NC(=O)N2CCC(C)(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000331962046 899303416 /nfs/dbraw/zinc/30/34/16/899303416.db2.gz VFAHEXFACTUSBD-QZTJIDSGSA-N 1 2 392.906 3.950 20 30 GHEDLO Cc1nsc(NC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)c1C#N ZINC000570610218 899435540 /nfs/dbraw/zinc/43/55/40/899435540.db2.gz BZRRATRWJAIYKO-KRWDZBQOSA-N 1 2 380.477 3.700 20 30 GHEDLO Cc1cc(N2CCN(C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)nc(C(C)C)[nH+]1 ZINC000332527931 899738159 /nfs/dbraw/zinc/73/81/59/899738159.db2.gz FXGIDLGFGUDZRK-UHFFFAOYSA-N 1 2 398.898 3.788 20 30 GHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1=S ZINC000884481030 900124234 /nfs/dbraw/zinc/12/42/34/900124234.db2.gz FGOPHVUULCNWAR-QZTJIDSGSA-N 1 2 385.537 3.511 20 30 GHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1=S ZINC000884481030 900124240 /nfs/dbraw/zinc/12/42/40/900124240.db2.gz FGOPHVUULCNWAR-QZTJIDSGSA-N 1 2 385.537 3.511 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)c1=S ZINC000884482875 900128208 /nfs/dbraw/zinc/12/82/08/900128208.db2.gz JAIJRZFQGAGKIJ-FUHWJXTLSA-N 1 2 388.512 3.865 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)c1=S ZINC000884482875 900128216 /nfs/dbraw/zinc/12/82/16/900128216.db2.gz JAIJRZFQGAGKIJ-FUHWJXTLSA-N 1 2 388.512 3.865 20 30 GHEDLO COc1ccc(C[NH+]2CCN(c3cccc(C#N)c3)CC2)cc1C(F)(F)F ZINC001143646526 900280243 /nfs/dbraw/zinc/28/02/43/900280243.db2.gz SIDKYSDGISWHIQ-UHFFFAOYSA-N 1 2 375.394 3.908 20 30 GHEDLO N#Cc1cccc(Cl)c1C[N@@H+]1CCC[C@@]2(C[C@H](OCc3cccnc3)CO2)C1 ZINC001143723897 900442575 /nfs/dbraw/zinc/44/25/75/900442575.db2.gz KEKOTURHEGCHLN-SIKLNZKXSA-N 1 2 397.906 3.947 20 30 GHEDLO N#Cc1cccc(Cl)c1C[N@H+]1CCC[C@@]2(C[C@H](OCc3cccnc3)CO2)C1 ZINC001143723897 900442582 /nfs/dbraw/zinc/44/25/82/900442582.db2.gz KEKOTURHEGCHLN-SIKLNZKXSA-N 1 2 397.906 3.947 20 30 GHEDLO COc1ccccc1C(=O)NC1CC[NH+](Cc2c(Cl)cccc2C#N)CC1 ZINC001143731673 900454672 /nfs/dbraw/zinc/45/46/72/900454672.db2.gz AHVVBFCKUZNFLW-UHFFFAOYSA-N 1 2 383.879 3.615 20 30 GHEDLO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3c(Cl)cccc3C#N)CC2)cc1 ZINC001143732219 900454868 /nfs/dbraw/zinc/45/48/68/900454868.db2.gz OFKDJLUDDANUQL-UHFFFAOYSA-N 1 2 393.878 3.869 20 30 GHEDLO C[C@@H](c1nnc(-c2ccccc2F)s1)[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844370791 900736667 /nfs/dbraw/zinc/73/66/67/900736667.db2.gz JLGDQSFPSRTWMF-SCLBCKFNSA-N 1 2 382.464 3.942 20 30 GHEDLO C[C@@H](c1nnc(-c2ccccc2F)s1)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844370791 900736675 /nfs/dbraw/zinc/73/66/75/900736675.db2.gz JLGDQSFPSRTWMF-SCLBCKFNSA-N 1 2 382.464 3.942 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000066954465 901028676 /nfs/dbraw/zinc/02/86/76/901028676.db2.gz HODDMXSVQQKCAP-MRXNPFEDSA-N 1 2 381.505 3.830 20 30 GHEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3CC(=O)c3cccs3)o2)cc1 ZINC000121760803 901670460 /nfs/dbraw/zinc/67/04/60/901670460.db2.gz ZGRMPJQIWHAJNS-MRXNPFEDSA-N 1 2 378.457 3.907 20 30 GHEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]3CC(=O)c3cccs3)o2)cc1 ZINC000121760803 901670471 /nfs/dbraw/zinc/67/04/71/901670471.db2.gz ZGRMPJQIWHAJNS-MRXNPFEDSA-N 1 2 378.457 3.907 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N(C)Cc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000047569799 902156527 /nfs/dbraw/zinc/15/65/27/902156527.db2.gz RCNYEQQMCRPGOD-HDICACEKSA-N 1 2 392.503 3.831 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N(C)Cc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000047569799 902156538 /nfs/dbraw/zinc/15/65/38/902156538.db2.gz RCNYEQQMCRPGOD-HDICACEKSA-N 1 2 392.503 3.831 20 30 GHEDLO CN(C)C(=O)C[C@@H]([NH2+]Cc1ccc(Br)cc1C#N)c1ccccc1 ZINC000576734088 902223828 /nfs/dbraw/zinc/22/38/28/902223828.db2.gz PFPZDGNWTOIXTR-GOSISDBHSA-N 1 2 386.293 3.630 20 30 GHEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2c(F)cc(C#N)cc2F)C[C@H](C)O1 ZINC000125638288 902232850 /nfs/dbraw/zinc/23/28/50/902232850.db2.gz MKYDHCXNKCUIBU-KBPBESRZSA-N 1 2 385.414 3.698 20 30 GHEDLO C#Cc1ccc(C[N@H+]2Cc3ncn(CC4CC4)c3[C@H](COCC3CC3)C2)cc1 ZINC001144568779 902398958 /nfs/dbraw/zinc/39/89/58/902398958.db2.gz DXSFXCDWJDBIAK-QFIPXVFZSA-N 1 2 375.516 3.800 20 30 GHEDLO C#Cc1ccc(C[N@@H+]2Cc3ncn(CC4CC4)c3[C@H](COCC3CC3)C2)cc1 ZINC001144568779 902398971 /nfs/dbraw/zinc/39/89/71/902398971.db2.gz DXSFXCDWJDBIAK-QFIPXVFZSA-N 1 2 375.516 3.800 20 30 GHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)[C@@H](C)c2ccncc2)c1C#N ZINC000127490094 902491776 /nfs/dbraw/zinc/49/17/76/902491776.db2.gz WDTHFBLLQFXHMQ-KRWDZBQOSA-N 1 2 391.475 3.644 20 30 GHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)[C@@H](C)c2ccncc2)c1C#N ZINC000127490094 902491787 /nfs/dbraw/zinc/49/17/87/902491787.db2.gz WDTHFBLLQFXHMQ-KRWDZBQOSA-N 1 2 391.475 3.644 20 30 GHEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)CSc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000264027918 902785968 /nfs/dbraw/zinc/78/59/68/902785968.db2.gz UFWHEDNXTNBXEE-IRXDYDNUSA-N 1 2 395.528 3.898 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000846797356 903225193 /nfs/dbraw/zinc/22/51/93/903225193.db2.gz SCXICYFRJZONIS-SFHVURJKSA-N 1 2 397.479 3.788 20 30 GHEDLO CC[C@H](CC#N)[NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 ZINC000846988923 903366654 /nfs/dbraw/zinc/36/66/54/903366654.db2.gz WGTFLEHQGJQGDU-OAHLLOKOSA-N 1 2 384.867 3.813 20 30 GHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1C ZINC000578682966 904048121 /nfs/dbraw/zinc/04/81/21/904048121.db2.gz AUWGCDLAQLJTOZ-IFMALSPDSA-N 1 2 381.520 3.584 20 30 GHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1C ZINC000578682966 904048136 /nfs/dbraw/zinc/04/81/36/904048136.db2.gz AUWGCDLAQLJTOZ-IFMALSPDSA-N 1 2 381.520 3.584 20 30 GHEDLO Cc1ccnc([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)C2)c1 ZINC000578905050 904215936 /nfs/dbraw/zinc/21/59/36/904215936.db2.gz ZGVIXJJQUHIBOP-HUUCEWRRSA-N 1 2 380.517 3.628 20 30 GHEDLO Cc1ccnc([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)C2)c1 ZINC000578905050 904215949 /nfs/dbraw/zinc/21/59/49/904215949.db2.gz ZGVIXJJQUHIBOP-HUUCEWRRSA-N 1 2 380.517 3.628 20 30 GHEDLO C=C[C@@H]1C[C@]1([NH2+]C1CCN(c2ccc(Br)cc2)CC1)C(=O)OCC ZINC001171992655 905204731 /nfs/dbraw/zinc/20/47/31/905204731.db2.gz NLASNPBAOQVOCM-AUUYWEPGSA-N 1 2 393.325 3.515 20 30 GHEDLO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCn2c(COc3cccnc3)cnc2[C@@H]1C ZINC001172307522 905463410 /nfs/dbraw/zinc/46/34/10/905463410.db2.gz HQRQEIYQLKXHTH-ROUUACIJSA-N 1 2 387.487 3.737 20 30 GHEDLO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCn2c(COc3cccnc3)cnc2[C@@H]1C ZINC001172307522 905463418 /nfs/dbraw/zinc/46/34/18/905463418.db2.gz HQRQEIYQLKXHTH-ROUUACIJSA-N 1 2 387.487 3.737 20 30 GHEDLO C[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(NC(=O)C2CC2)cc1 ZINC000179762124 906588627 /nfs/dbraw/zinc/58/86/27/906588627.db2.gz JRIXRSOYOMDCGB-AWEZNQCLSA-N 1 2 387.443 3.808 20 30 GHEDLO Cc1sc(NC(=O)C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c(C#N)c1C ZINC000180421620 906764754 /nfs/dbraw/zinc/76/47/54/906764754.db2.gz PRKDGEGRZOKOKD-UHFFFAOYSA-N 1 2 396.516 3.526 20 30 GHEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCc2cc(Br)ccc2C1 ZINC000192252611 907563994 /nfs/dbraw/zinc/56/39/94/907563994.db2.gz DBFPLBNATVHAHS-UHFFFAOYSA-N 1 2 390.306 3.769 20 30 GHEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCc2cc(Br)ccc2C1 ZINC000192252611 907564004 /nfs/dbraw/zinc/56/40/04/907564004.db2.gz DBFPLBNATVHAHS-UHFFFAOYSA-N 1 2 390.306 3.769 20 30 GHEDLO C#CC[NH+]1CCN(C(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000195726694 909036807 /nfs/dbraw/zinc/03/68/07/909036807.db2.gz HYXKQSCOXWVZCE-ONEGZZNKSA-N 1 2 390.327 3.515 20 30 GHEDLO COc1ccnc(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)c1F ZINC001179183789 909399934 /nfs/dbraw/zinc/39/99/34/909399934.db2.gz PGORSXVLIMLHAI-UHFFFAOYSA-N 1 2 377.419 3.970 20 30 GHEDLO C=CCN(C)S(=O)(=O)c1ccc(NCc2cc(C)[nH+]c3c2CCCC3)cc1 ZINC001179549573 909589590 /nfs/dbraw/zinc/58/95/90/909589590.db2.gz FAKQAYKWRSKZIV-UHFFFAOYSA-N 1 2 385.533 3.687 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Nc3cccc(N4CCCC4)c3)CC2)cc1 ZINC000299666185 921564455 /nfs/dbraw/zinc/56/44/55/921564455.db2.gz VNKMZLKEWAOBRC-UHFFFAOYSA-N 1 2 389.503 3.508 20 30 GHEDLO C=CCCCCCN(C)C(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270186064 910474248 /nfs/dbraw/zinc/47/42/48/910474248.db2.gz MPSCHTKSBHAPHW-UHFFFAOYSA-N 1 2 392.503 3.745 20 30 GHEDLO C[C@@H](c1nc2ccccc2n1C(F)F)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292074481 915503423 /nfs/dbraw/zinc/50/34/23/915503423.db2.gz CZWIFUMBLRLKNB-ZFWWWQNUSA-N 1 2 383.402 3.912 20 30 GHEDLO C[C@@H](c1nc2ccccc2n1C(F)F)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292074481 915503433 /nfs/dbraw/zinc/50/34/33/915503433.db2.gz CZWIFUMBLRLKNB-ZFWWWQNUSA-N 1 2 383.402 3.912 20 30 GHEDLO C#CC[N@@H+](CC(=O)c1c(C)[nH]c(C(=O)OCC)c1C)[C@@H]1CCc2ccccc21 ZINC001190529923 917386691 /nfs/dbraw/zinc/38/66/91/917386691.db2.gz XZQYMZRCWPWIFZ-LJQANCHMSA-N 1 2 378.472 3.614 20 30 GHEDLO C#CC[N@H+](CC(=O)c1c(C)[nH]c(C(=O)OCC)c1C)[C@@H]1CCc2ccccc21 ZINC001190529923 917386693 /nfs/dbraw/zinc/38/66/93/917386693.db2.gz XZQYMZRCWPWIFZ-LJQANCHMSA-N 1 2 378.472 3.614 20 30 GHEDLO CCOc1ccc2c(c1)C[N@H+]([C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)CC2 ZINC001190572618 917416434 /nfs/dbraw/zinc/41/64/34/917416434.db2.gz WIALODFYJSGKCU-CQSZACIVSA-N 1 2 383.879 3.996 20 30 GHEDLO CCOc1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)CC2 ZINC001190572618 917416439 /nfs/dbraw/zinc/41/64/39/917416439.db2.gz WIALODFYJSGKCU-CQSZACIVSA-N 1 2 383.879 3.996 20 30 GHEDLO CCc1[nH+]ccn1-c1nc(OC)ccc1NC(=O)c1cccc(C(C)(C)C#N)c1 ZINC001190919507 917663241 /nfs/dbraw/zinc/66/32/41/917663241.db2.gz BGUHZPCLDFUJFA-UHFFFAOYSA-N 1 2 389.459 3.892 20 30 GHEDLO Cc1nsc(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)c1C#N ZINC000297410824 919303291 /nfs/dbraw/zinc/30/32/91/919303291.db2.gz LKPUCFPJZHZWGW-IAGOWNOFSA-N 1 2 378.461 3.570 20 30 GHEDLO N#Cc1ccsc1NC(=O)C[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000116708388 919515098 /nfs/dbraw/zinc/51/50/98/919515098.db2.gz RKQIGJQUAIUADT-UHFFFAOYSA-N 1 2 394.475 3.837 20 30 GHEDLO N#Cc1ccsc1NC(=O)C[N@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000116708388 919515107 /nfs/dbraw/zinc/51/51/07/919515107.db2.gz RKQIGJQUAIUADT-UHFFFAOYSA-N 1 2 394.475 3.837 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1Cl ZINC000007927409 920566675 /nfs/dbraw/zinc/56/66/75/920566675.db2.gz NSEOZSRGLILAMB-INIZCTEOSA-N 1 2 389.908 3.893 20 30 GHEDLO N#Cc1ccc(NC(=O)C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1Cl ZINC000007927409 920566690 /nfs/dbraw/zinc/56/66/90/920566690.db2.gz NSEOZSRGLILAMB-INIZCTEOSA-N 1 2 389.908 3.893 20 30 GHEDLO CO/N=C/c1ccc(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000298955017 921085404 /nfs/dbraw/zinc/08/54/04/921085404.db2.gz IWHYDSDSMVQVNJ-RFTFHOITSA-N 1 2 381.476 3.528 20 30 GHEDLO Cc1cc(C)c(N2CC[C@H]([NH+]3CCC(C#N)(c4ccccn4)CC3)C2=O)c(C)c1 ZINC000367058880 921899092 /nfs/dbraw/zinc/89/90/92/921899092.db2.gz YVTKKRWNYZADLS-FQEVSTJZSA-N 1 2 388.515 3.670 20 30 GHEDLO N#CCc1ccc(OCc2cccc(NC(=O)N3CCn4c[nH+]cc4C3)c2)cc1 ZINC000368090921 922467485 /nfs/dbraw/zinc/46/74/85/922467485.db2.gz CRJMXPACPSVPTD-UHFFFAOYSA-N 1 2 387.443 3.576 20 30 GHEDLO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000903262123 922888112 /nfs/dbraw/zinc/88/81/12/922888112.db2.gz AJGRMDGBWYAYTA-CZUORRHYSA-N 1 2 375.469 3.953 20 30 GHEDLO N#CC1(CCC[NH2+][C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000369202481 923200827 /nfs/dbraw/zinc/20/08/27/923200827.db2.gz INJDFDSXNFVIGH-MRXNPFEDSA-N 1 2 393.413 3.603 20 30 GHEDLO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000369752006 923599108 /nfs/dbraw/zinc/59/91/08/923599108.db2.gz CGQCMEKTRLWBGB-RTWAWAEBSA-N 1 2 389.503 3.663 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)N2CCC(C)(C#N)CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000370336198 924043140 /nfs/dbraw/zinc/04/31/40/924043140.db2.gz XXXJPQMEPKICFY-WMZOPIPTSA-N 1 2 394.441 3.574 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)N2CCC(C)(C#N)CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000370336198 924043148 /nfs/dbraw/zinc/04/31/48/924043148.db2.gz XXXJPQMEPKICFY-WMZOPIPTSA-N 1 2 394.441 3.574 20 30 GHEDLO N#Cc1nc(N2CC[NH+](Cc3ccccc3Cl)CC2)ccc1C(F)(F)F ZINC000409716739 924904199 /nfs/dbraw/zinc/90/41/99/924904199.db2.gz MLISFSPCSPKXRR-UHFFFAOYSA-N 1 2 380.801 3.948 20 30 GHEDLO C[N@H+](CCC1(C#N)CCCCC1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000411441299 926399833 /nfs/dbraw/zinc/39/98/33/926399833.db2.gz IPDJACJHBMOONF-MRXNPFEDSA-N 1 2 378.314 3.771 20 30 GHEDLO C[N@@H+](CCC1(C#N)CCCCC1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000411441299 926399841 /nfs/dbraw/zinc/39/98/41/926399841.db2.gz IPDJACJHBMOONF-MRXNPFEDSA-N 1 2 378.314 3.771 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(c2ccncn2)CC1 ZINC000411830097 926832220 /nfs/dbraw/zinc/83/22/20/926832220.db2.gz WMFPUGFJKNEIAC-MRXNPFEDSA-N 1 2 395.532 3.689 20 30 GHEDLO C=CCOc1ccc(-c2nn(C[N@@H+]3CC[C@@H]([C@H]4CCOC4)C3)c(=S)o2)cc1 ZINC000749799636 927278871 /nfs/dbraw/zinc/27/88/71/927278871.db2.gz YKKMUVINYQDZMI-SJORKVTESA-N 1 2 387.505 3.753 20 30 GHEDLO C=CCOc1ccc(-c2nn(C[N@H+]3CC[C@@H]([C@H]4CCOC4)C3)c(=S)o2)cc1 ZINC000749799636 927278884 /nfs/dbraw/zinc/27/88/84/927278884.db2.gz YKKMUVINYQDZMI-SJORKVTESA-N 1 2 387.505 3.753 20 30 GHEDLO C=CCn1c(-c2ccccc2C)nn(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1=S ZINC000749799539 927279912 /nfs/dbraw/zinc/27/99/12/927279912.db2.gz XMSSLVQLDRLPJG-MSOLQXFVSA-N 1 2 384.549 3.891 20 30 GHEDLO C=CCn1c(-c2ccccc2C)nn(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1=S ZINC000749799539 927279929 /nfs/dbraw/zinc/27/99/29/927279929.db2.gz XMSSLVQLDRLPJG-MSOLQXFVSA-N 1 2 384.549 3.891 20 30 GHEDLO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC=C(c3c[nH]c4ccccc43)CC2)C1=O ZINC000751468166 928205621 /nfs/dbraw/zinc/20/56/21/928205621.db2.gz DLYAVBMWXXBNIA-FQEVSTJZSA-N 1 2 388.496 3.996 20 30 GHEDLO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC=C(c3c[nH]c4ccccc43)CC2)C1=O ZINC000751468166 928205632 /nfs/dbraw/zinc/20/56/32/928205632.db2.gz DLYAVBMWXXBNIA-FQEVSTJZSA-N 1 2 388.496 3.996 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375429702 928294391 /nfs/dbraw/zinc/29/43/91/928294391.db2.gz ZOZRLVFMHDCUGC-HNNXBMFYSA-N 1 2 384.505 3.653 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375429702 928294408 /nfs/dbraw/zinc/29/44/08/928294408.db2.gz ZOZRLVFMHDCUGC-HNNXBMFYSA-N 1 2 384.505 3.653 20 30 GHEDLO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000752007862 928548102 /nfs/dbraw/zinc/54/81/02/928548102.db2.gz SZWGOLIOJCBJIN-FGZHOGPDSA-N 1 2 385.471 3.854 20 30 GHEDLO CO[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC[C@@H]1C ZINC000467291476 928922298 /nfs/dbraw/zinc/92/22/98/928922298.db2.gz NRKFXIHGWKGRBV-JJRVBVJISA-N 1 2 375.538 3.572 20 30 GHEDLO CO[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC[C@@H]1C ZINC000467291476 928922305 /nfs/dbraw/zinc/92/23/05/928922305.db2.gz NRKFXIHGWKGRBV-JJRVBVJISA-N 1 2 375.538 3.572 20 30 GHEDLO CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC[C@@H]1C ZINC000467291475 928922522 /nfs/dbraw/zinc/92/25/22/928922522.db2.gz NRKFXIHGWKGRBV-GRDNDAEWSA-N 1 2 375.538 3.572 20 30 GHEDLO CO[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC[C@@H]1C ZINC000467291475 928922528 /nfs/dbraw/zinc/92/25/28/928922528.db2.gz NRKFXIHGWKGRBV-GRDNDAEWSA-N 1 2 375.538 3.572 20 30 GHEDLO CCCC[C@@H](ON=C(C)C)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000758053124 929904612 /nfs/dbraw/zinc/90/46/12/929904612.db2.gz SEVKUNKJEBBPES-YLJYHZDGSA-N 1 2 375.513 3.990 20 30 GHEDLO C=CCn1c2nn(C[N@H+]3CCC[C@@H](C(C)C)C3)c(=S)n2c2ccccc2c1=O ZINC000780499501 930534552 /nfs/dbraw/zinc/53/45/52/930534552.db2.gz SJHUGNBDXYLWHN-MRXNPFEDSA-N 1 2 397.548 3.692 20 30 GHEDLO C=CCn1c2nn(C[N@@H+]3CCC[C@@H](C(C)C)C3)c(=S)n2c2ccccc2c1=O ZINC000780499501 930534562 /nfs/dbraw/zinc/53/45/62/930534562.db2.gz SJHUGNBDXYLWHN-MRXNPFEDSA-N 1 2 397.548 3.692 20 30 GHEDLO C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000780677427 930574434 /nfs/dbraw/zinc/57/44/34/930574434.db2.gz GNOWOTYBNLWLRJ-LPHOPBHVSA-N 1 2 389.459 3.816 20 30 GHEDLO N#CCCN(CCC#N)C(=O)C[NH2+][C@@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000470538072 930696159 /nfs/dbraw/zinc/69/61/59/930696159.db2.gz RPTCGYWMLKVZAK-NRFANRHFSA-N 1 2 398.869 3.814 20 30 GHEDLO COc1ccc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)cc1C#N ZINC000471015294 931094768 /nfs/dbraw/zinc/09/47/68/931094768.db2.gz UZAWMTFOXVSGML-FQEVSTJZSA-N 1 2 380.879 3.603 20 30 GHEDLO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2Cc2nc3ccccc3c(=O)n2CC#N)c1 ZINC000784352274 931866559 /nfs/dbraw/zinc/86/65/59/931866559.db2.gz GHMKGQNBAXVJTK-HRAATJIYSA-N 1 2 388.471 3.512 20 30 GHEDLO COc1cccc([C@H]2C[C@H](C)C[N@H+]2Cc2nc3ccccc3c(=O)n2CC#N)c1 ZINC000784352274 931866564 /nfs/dbraw/zinc/86/65/64/931866564.db2.gz GHMKGQNBAXVJTK-HRAATJIYSA-N 1 2 388.471 3.512 20 30 GHEDLO Cc1cc(C2CC[NH+](Cn3cccc(C#N)c3=O)CC2)ccc1Br ZINC000777574827 931900104 /nfs/dbraw/zinc/90/01/04/931900104.db2.gz DMRCGDIJVQTOIC-UHFFFAOYSA-N 1 2 386.293 3.628 20 30 GHEDLO C[C@H]1CN(c2ccc([NH2+]C3CCN(c4ccc(C#N)cc4)CC3)cc2)CCO1 ZINC000796925469 932111114 /nfs/dbraw/zinc/11/11/14/932111114.db2.gz JUDAEZSASXIICH-SFHVURJKSA-N 1 2 376.504 3.864 20 30 GHEDLO Cc1cccc(CCCOCCOC(=O)C2(c3cc(F)cc(C#N)c3)CC2)[nH+]1 ZINC000797025745 932150497 /nfs/dbraw/zinc/15/04/97/932150497.db2.gz ILLMUSNOAOUYLJ-UHFFFAOYSA-N 1 2 382.435 3.625 20 30 GHEDLO CCCCCCCS(=O)(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000799776781 933113625 /nfs/dbraw/zinc/11/36/25/933113625.db2.gz GLOOJQKAHUBXLC-UHFFFAOYSA-N 1 2 381.586 3.611 20 30 GHEDLO C=CCC(C)(C)CNC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000560286146 933185620 /nfs/dbraw/zinc/18/56/20/933185620.db2.gz ADQACPAPACNTBO-UHFFFAOYSA-N 1 2 380.492 3.543 20 30 GHEDLO CC(C)(Oc1ccc(C#N)cc1)C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000560515256 933304790 /nfs/dbraw/zinc/30/47/90/933304790.db2.gz BGUUJDUKJBZWSN-IYARVYRRSA-N 1 2 378.476 3.650 20 30 GHEDLO N#CC1(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CCSCC1 ZINC000930207450 933892622 /nfs/dbraw/zinc/89/26/22/933892622.db2.gz NPMDQIZEDNANJA-MRXNPFEDSA-N 1 2 395.931 3.769 20 30 GHEDLO C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2c2nccc(C(F)(F)F)n2)cc1 ZINC000930970761 934319764 /nfs/dbraw/zinc/31/97/64/934319764.db2.gz HKVTUEFSZIDEQG-INIZCTEOSA-N 1 2 388.393 3.642 20 30 GHEDLO C#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2c2nccc(C(F)(F)F)n2)cc1 ZINC000930970761 934319775 /nfs/dbraw/zinc/31/97/75/934319775.db2.gz HKVTUEFSZIDEQG-INIZCTEOSA-N 1 2 388.393 3.642 20 30 GHEDLO C=CCn1c([C@@H]2C[C@H]2OCCCC)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001121566310 934699895 /nfs/dbraw/zinc/69/98/95/934699895.db2.gz REEMDFJLYAAXAJ-RTBURBONSA-N 1 2 396.539 3.613 20 30 GHEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931913691 934763364 /nfs/dbraw/zinc/76/33/64/934763364.db2.gz KZOLSHAEIJWLLF-HNNXBMFYSA-N 1 2 387.402 3.607 20 30 GHEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931913691 934763366 /nfs/dbraw/zinc/76/33/66/934763366.db2.gz KZOLSHAEIJWLLF-HNNXBMFYSA-N 1 2 387.402 3.607 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1C[C@@H]2COC[C@@]2(C)C1 ZINC001122440973 934870330 /nfs/dbraw/zinc/87/03/30/934870330.db2.gz NELGPKXSIFQKPQ-JXHRLWIKSA-N 1 2 395.551 3.520 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1C[C@@H]2COC[C@@]2(C)C1 ZINC001122440973 934870338 /nfs/dbraw/zinc/87/03/38/934870338.db2.gz NELGPKXSIFQKPQ-JXHRLWIKSA-N 1 2 395.551 3.520 20 30 GHEDLO C=C(C)Cn1c(N2CCC(Nc3cccc[nH+]3)CC2)nnc1C(C)(C)CC#N ZINC001122602449 934915789 /nfs/dbraw/zinc/91/57/89/934915789.db2.gz RSFVLKUYCKQZSF-UHFFFAOYSA-N 1 2 379.512 3.521 20 30 GHEDLO C[C@H](CC#N)N(C)c1nnc([C@H]2CCC[N@@H+]2Cc2ccccc2)n1CC1CC1 ZINC001123582869 935229848 /nfs/dbraw/zinc/22/98/48/935229848.db2.gz UFMMISRELNBBFU-YLJYHZDGSA-N 1 2 378.524 3.764 20 30 GHEDLO C[C@H](CC#N)N(C)c1nnc([C@H]2CCC[N@H+]2Cc2ccccc2)n1CC1CC1 ZINC001123582869 935229850 /nfs/dbraw/zinc/22/98/50/935229850.db2.gz UFMMISRELNBBFU-YLJYHZDGSA-N 1 2 378.524 3.764 20 30 GHEDLO COc1ccc(C[NH+]2CCC(N3C(=O)OC[C@H]3c3ccccc3)CC2)c(C#N)c1 ZINC001137698343 935729918 /nfs/dbraw/zinc/72/99/18/935729918.db2.gz SWDAICZRILWOHD-QFIPXVFZSA-N 1 2 391.471 3.725 20 30 GHEDLO COc1ccc(C[N@@H+]2CC[C@H]3C[C@H](c4nc(C)c(C)s4)O[C@@H]3C2)c(C#N)c1 ZINC001137701202 935732188 /nfs/dbraw/zinc/73/21/88/935732188.db2.gz PHBMFYGETURVTG-CWFSZBLJSA-N 1 2 383.517 3.992 20 30 GHEDLO COc1ccc(C[N@H+]2CC[C@H]3C[C@H](c4nc(C)c(C)s4)O[C@@H]3C2)c(C#N)c1 ZINC001137701202 935732190 /nfs/dbraw/zinc/73/21/90/935732190.db2.gz PHBMFYGETURVTG-CWFSZBLJSA-N 1 2 383.517 3.992 20 30 GHEDLO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3cc(F)c(F)cc3F)CC2)cc1 ZINC001137893383 935850449 /nfs/dbraw/zinc/85/04/49/935850449.db2.gz RYLCEJZIPBOKRN-UHFFFAOYSA-N 1 2 388.393 3.762 20 30 GHEDLO N#Cc1cc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1Br ZINC001226729099 1032098410 /nfs/dbraw/zinc/09/84/10/1032098410.db2.gz IXBLREJWPBJMSD-SFHVURJKSA-N 1 2 387.277 3.601 20 30 GHEDLO N#Cc1cc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1Br ZINC001226729099 1032098424 /nfs/dbraw/zinc/09/84/24/1032098424.db2.gz IXBLREJWPBJMSD-SFHVURJKSA-N 1 2 387.277 3.601 20 30 GHEDLO CC(C)[N@@H+]1CC[C@H](Oc2c(Br)cc(C#N)cc2Br)C1 ZINC001227346370 1032383925 /nfs/dbraw/zinc/38/39/25/1032383925.db2.gz RUIGRGYGWOQOPS-NSHDSACASA-N 1 2 388.103 3.945 20 30 GHEDLO CC(C)[N@H+]1CC[C@H](Oc2c(Br)cc(C#N)cc2Br)C1 ZINC001227346370 1032383936 /nfs/dbraw/zinc/38/39/36/1032383936.db2.gz RUIGRGYGWOQOPS-NSHDSACASA-N 1 2 388.103 3.945 20 30 GHEDLO C=CCOc1ccc(/C=C/C(=O)N2CCC[C@H]2c2[nH]c(C)c(C)[nH+]2)cc1OC ZINC001155186754 1032449838 /nfs/dbraw/zinc/44/98/38/1032449838.db2.gz ZSOJQBFSBXQXMU-CKDFRHGISA-N 1 2 381.476 3.977 20 30 GHEDLO Fc1cnccc1C[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944883 1018775178 /nfs/dbraw/zinc/77/51/78/1018775178.db2.gz OBMVRULKNQERTR-IUCAKERBSA-N 1 2 378.238 3.824 20 30 GHEDLO CCC[N@H+](Cc1ccccc1C#N)[C@H](C)C(=O)Nc1c(C)csc1C(=O)OC ZINC001204369792 1032811804 /nfs/dbraw/zinc/81/18/04/1032811804.db2.gz CZUSLOMQBKTQNJ-OAHLLOKOSA-N 1 2 399.516 3.954 20 30 GHEDLO CCC[N@@H+](Cc1ccccc1C#N)[C@H](C)C(=O)Nc1c(C)csc1C(=O)OC ZINC001204369792 1032811819 /nfs/dbraw/zinc/81/18/19/1032811819.db2.gz CZUSLOMQBKTQNJ-OAHLLOKOSA-N 1 2 399.516 3.954 20 30 GHEDLO N#CCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1c(Cl)ccc(F)c1F)CC2 ZINC001276464261 1032865501 /nfs/dbraw/zinc/86/55/01/1032865501.db2.gz VLAPEWYTOXDPLN-AWEZNQCLSA-N 1 2 381.854 3.640 20 30 GHEDLO Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCc2ccc(CC#N)cc2)c(C)c1 ZINC000577488258 1020209351 /nfs/dbraw/zinc/20/93/51/1020209351.db2.gz RHPNZDHFKXFRMB-JOCHJYFZSA-N 1 2 387.487 3.807 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@H+]2C[C@@H](CC)O[C@]3(CCOC3)C2)cc1OC ZINC000628256150 1020684608 /nfs/dbraw/zinc/68/46/08/1020684608.db2.gz LBOYDCSBXCEVJE-OXQOHEQNSA-N 1 2 381.900 3.683 20 30 GHEDLO C=CCOc1c(Cl)cc(C[N@@H+]2C[C@@H](CC)O[C@]3(CCOC3)C2)cc1OC ZINC000628256150 1020684611 /nfs/dbraw/zinc/68/46/11/1020684611.db2.gz LBOYDCSBXCEVJE-OXQOHEQNSA-N 1 2 381.900 3.683 20 30 GHEDLO CCc1ccccc1O[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(C#N)c(C)c2)CC1 ZINC001204488394 1032921602 /nfs/dbraw/zinc/92/16/02/1032921602.db2.gz MXZGINNAINDRDF-IBGZPJMESA-N 1 2 391.515 3.541 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@H]2CC[N@H+](Cc3cc(F)c(C#N)c(F)c3)C[C@H]21 ZINC001140753139 1022436109 /nfs/dbraw/zinc/43/61/09/1022436109.db2.gz YQMGZUORBVAXMY-RDTXWAMCSA-N 1 2 377.435 3.668 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@H]2CC[N@@H+](Cc3cc(F)c(C#N)c(F)c3)C[C@H]21 ZINC001140753139 1022436116 /nfs/dbraw/zinc/43/61/16/1022436116.db2.gz YQMGZUORBVAXMY-RDTXWAMCSA-N 1 2 377.435 3.668 20 30 GHEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cc(F)c(C(F)(F)F)c(F)c2)C1 ZINC001140882349 1022786831 /nfs/dbraw/zinc/78/68/31/1022786831.db2.gz WVVQMPXBFKLFHI-LBPRGKRZSA-N 1 2 378.341 3.860 20 30 GHEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cc(F)c(C(F)(F)F)c(F)c2)C1 ZINC001140882349 1022786840 /nfs/dbraw/zinc/78/68/40/1022786840.db2.gz WVVQMPXBFKLFHI-LBPRGKRZSA-N 1 2 378.341 3.860 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)/C=C/c2ccccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000754903709 1022959082 /nfs/dbraw/zinc/95/90/82/1022959082.db2.gz UYITVFLOIZSBJD-WSXJYFSRSA-N 1 2 383.854 3.926 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)/C=C/c2ccccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000754903709 1022959083 /nfs/dbraw/zinc/95/90/83/1022959083.db2.gz UYITVFLOIZSBJD-WSXJYFSRSA-N 1 2 383.854 3.926 20 30 GHEDLO C[N@H+](Cc1cc(C#N)ccc1Br)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000755041384 1023038404 /nfs/dbraw/zinc/03/84/04/1023038404.db2.gz ODBJIRIBYZTXEG-OAHLLOKOSA-N 1 2 394.313 3.762 20 30 GHEDLO C[N@@H+](Cc1cc(C#N)ccc1Br)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000755041384 1023038415 /nfs/dbraw/zinc/03/84/15/1023038415.db2.gz ODBJIRIBYZTXEG-OAHLLOKOSA-N 1 2 394.313 3.762 20 30 GHEDLO C#CCOc1ccccc1C[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000756028474 1023484411 /nfs/dbraw/zinc/48/44/11/1023484411.db2.gz PXMZRRGIZXBCOT-UHFFFAOYSA-N 1 2 387.270 3.876 20 30 GHEDLO C=CCn1cc2ccc(NC(=O)[C@H]3CCCC[N@@H+]3Cc3ccncc3)cc2n1 ZINC001156690898 1033186808 /nfs/dbraw/zinc/18/68/08/1033186808.db2.gz VISPKWATZLQRRQ-OAQYLSRUSA-N 1 2 375.476 3.611 20 30 GHEDLO C=CCn1cc2ccc(NC(=O)[C@H]3CCCC[N@H+]3Cc3ccncc3)cc2n1 ZINC001156690898 1033186819 /nfs/dbraw/zinc/18/68/19/1033186819.db2.gz VISPKWATZLQRRQ-OAQYLSRUSA-N 1 2 375.476 3.611 20 30 GHEDLO C=CCOC[C@@H]1C[N@H+](Cc2ccc3ncccc3c2)Cc2nnn(CC3CC3)c21 ZINC001138107512 1024117239 /nfs/dbraw/zinc/11/72/39/1024117239.db2.gz XOZALNDVWJOANJ-FQEVSTJZSA-N 1 2 389.503 3.538 20 30 GHEDLO C=CCOC[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)Cc2nnn(CC3CC3)c21 ZINC001138107512 1024117252 /nfs/dbraw/zinc/11/72/52/1024117252.db2.gz XOZALNDVWJOANJ-FQEVSTJZSA-N 1 2 389.503 3.538 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(N(CC)CC)cc1OC ZINC001138389335 1024764381 /nfs/dbraw/zinc/76/43/81/1024764381.db2.gz MHVGUKUGLRIMCP-OAQYLSRUSA-N 1 2 398.551 3.577 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(N(CC)CC)cc1OC ZINC001138389335 1024764392 /nfs/dbraw/zinc/76/43/92/1024764392.db2.gz MHVGUKUGLRIMCP-OAQYLSRUSA-N 1 2 398.551 3.577 20 30 GHEDLO CN(C[C@@H]1CCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000838809684 1025379568 /nfs/dbraw/zinc/37/95/68/1025379568.db2.gz NJTDSPFGNXTOED-HNNXBMFYSA-N 1 2 388.468 3.545 20 30 GHEDLO CN(C[C@@H]1CCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000838809684 1025379577 /nfs/dbraw/zinc/37/95/77/1025379577.db2.gz NJTDSPFGNXTOED-HNNXBMFYSA-N 1 2 388.468 3.545 20 30 GHEDLO Cc1cc(F)ccc1[C@H]1CCC[N@@H+]1Cc1nc2ccccc2c(=O)n1CC#N ZINC000832523453 1025644211 /nfs/dbraw/zinc/64/42/11/1025644211.db2.gz GTBJHLKEUOJQLN-HXUWFJFHSA-N 1 2 376.435 3.705 20 30 GHEDLO Cc1cc(F)ccc1[C@H]1CCC[N@H+]1Cc1nc2ccccc2c(=O)n1CC#N ZINC000832523453 1025644225 /nfs/dbraw/zinc/64/42/25/1025644225.db2.gz GTBJHLKEUOJQLN-HXUWFJFHSA-N 1 2 376.435 3.705 20 30 GHEDLO C=CCOc1ccccc1C[N@@H+]1Cc2ncn(CC3CC3)c2[C@@H](COCC)C1 ZINC001139029285 1025796811 /nfs/dbraw/zinc/79/68/11/1025796811.db2.gz RYKFOEYCTWKNIO-HXUWFJFHSA-N 1 2 381.520 3.994 20 30 GHEDLO C=CCOc1ccccc1C[N@H+]1Cc2ncn(CC3CC3)c2[C@@H](COCC)C1 ZINC001139029285 1025796824 /nfs/dbraw/zinc/79/68/24/1025796824.db2.gz RYKFOEYCTWKNIO-HXUWFJFHSA-N 1 2 381.520 3.994 20 30 GHEDLO CC(C)(C)OC(=O)NCCC1C[NH+](Cc2cc(C#N)ccc2Br)C1 ZINC001141660926 1026155540 /nfs/dbraw/zinc/15/55/40/1026155540.db2.gz PUMSDRLOAJQAHH-UHFFFAOYSA-N 1 2 394.313 3.667 20 30 GHEDLO COc1ccc(CCNc2cc(/C=N/[S@@](=O)C(C)(C)C)cc(C)[nH+]2)cc1O ZINC001163727130 1026296820 /nfs/dbraw/zinc/29/68/20/1026296820.db2.gz BLGNAVOEABUAPE-HGKYZCHESA-N 1 2 389.521 3.640 20 30 GHEDLO N#Cc1ccc(Oc2ccc(C[NH+]3CC4(CN(c5ccccc5)C4=O)C3)cn2)cc1 ZINC001139425363 1026296790 /nfs/dbraw/zinc/29/67/90/1026296790.db2.gz LGDMBLXQFWJJRS-UHFFFAOYSA-N 1 2 396.450 3.594 20 30 GHEDLO N#Cc1cc(C(F)(F)N2CC[NH+](C/C=C/c3ccccc3)CC2)cnc1Cl ZINC001163844742 1026336992 /nfs/dbraw/zinc/33/69/92/1026336992.db2.gz BHUDIBQMSFLRRF-QPJJXVBHSA-N 1 2 388.849 3.987 20 30 GHEDLO CCCc1cc(C#N)c(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)nc1Cl ZINC001163896990 1026353257 /nfs/dbraw/zinc/35/32/57/1026353257.db2.gz NOHUJRGKUHYKMZ-UHFFFAOYSA-N 1 2 398.894 3.610 20 30 GHEDLO N#Cc1ccc(F)c(C[N@@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)c1 ZINC001139649250 1026510976 /nfs/dbraw/zinc/51/09/76/1026510976.db2.gz VPVAUKWVDYSWIE-SIKLNZKXSA-N 1 2 381.451 3.542 20 30 GHEDLO N#Cc1ccc(F)c(C[N@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)c1 ZINC001139649250 1026510982 /nfs/dbraw/zinc/51/09/82/1026510982.db2.gz VPVAUKWVDYSWIE-SIKLNZKXSA-N 1 2 381.451 3.542 20 30 GHEDLO Cc1ccc(C[N@H+]2Cc3c(cnn3CC3CC3)[C@H](COCC3CC3)C2)cc1C#N ZINC001139725060 1026569115 /nfs/dbraw/zinc/56/91/15/1026569115.db2.gz AVPPXRSGKMCTFO-QFIPXVFZSA-N 1 2 390.531 3.999 20 30 GHEDLO Cc1ccc(C[N@@H+]2Cc3c(cnn3CC3CC3)[C@H](COCC3CC3)C2)cc1C#N ZINC001139725060 1026569128 /nfs/dbraw/zinc/56/91/28/1026569128.db2.gz AVPPXRSGKMCTFO-QFIPXVFZSA-N 1 2 390.531 3.999 20 30 GHEDLO CC(C)(C)OC(=O)c1ccc(N2CC[NH+](Cc3cc(F)cc(C#N)c3)CC2)cc1 ZINC001139878560 1026694516 /nfs/dbraw/zinc/69/45/16/1026694516.db2.gz NPEMTUCWBSBUKO-UHFFFAOYSA-N 1 2 395.478 3.975 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1cnc(-c2ccc(F)cc2)s1 ZINC001140093820 1026870400 /nfs/dbraw/zinc/87/04/00/1026870400.db2.gz DVUMXYRODIKVNC-LJQANCHMSA-N 1 2 398.507 3.985 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1cnc(-c2ccc(F)cc2)s1 ZINC001140093820 1026870407 /nfs/dbraw/zinc/87/04/07/1026870407.db2.gz DVUMXYRODIKVNC-LJQANCHMSA-N 1 2 398.507 3.985 20 30 GHEDLO CC(C)COC[C@H]1C[N@H+](Cc2c[nH]c3ccc(C#N)cc23)Cc2ncn(C)c21 ZINC001140112475 1026893506 /nfs/dbraw/zinc/89/35/06/1026893506.db2.gz MEBAIQHMJHPNEY-GOSISDBHSA-N 1 2 377.492 3.545 20 30 GHEDLO CC(C)COC[C@H]1C[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)Cc2ncn(C)c21 ZINC001140112475 1026893512 /nfs/dbraw/zinc/89/35/12/1026893512.db2.gz MEBAIQHMJHPNEY-GOSISDBHSA-N 1 2 377.492 3.545 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(OC(F)(F)F)cc3)CC2)c(F)c1 ZINC001140141065 1026914903 /nfs/dbraw/zinc/91/49/03/1026914903.db2.gz NRXSALYVBHBZNY-UHFFFAOYSA-N 1 2 379.357 3.918 20 30 GHEDLO N#CCc1cc[nH+]c(N2CCC3(CC2)C(=O)N(CC2CC2)[C@H]3c2ccccc2)c1 ZINC001166426293 1026999594 /nfs/dbraw/zinc/99/95/94/1026999594.db2.gz CUTIZNYLLNDEST-QFIPXVFZSA-N 1 2 386.499 3.728 20 30 GHEDLO N#Cc1cnn(-c2cccc(Cl)c2)c1Nc1ccccc1C[NH+]1CCOCC1 ZINC001209926522 1027277973 /nfs/dbraw/zinc/27/79/73/1027277973.db2.gz AHSZDTPLUKXYIK-UHFFFAOYSA-N 1 2 393.878 3.973 20 30 GHEDLO Oc1c(Br)cc(Br)cc1C[NH+]1CCC(S)CC1 ZINC001203568233 1027438194 /nfs/dbraw/zinc/43/81/94/1027438194.db2.gz FXVRGSOVQLKWHQ-UHFFFAOYSA-N 1 2 381.133 3.811 20 30 GHEDLO C=CCOC[C@H]1C[N@@H+](Cc2cc(C)c(OC)cc2C)Cc2nnn(CC3CC3)c21 ZINC001203753544 1027576037 /nfs/dbraw/zinc/57/60/37/1027576037.db2.gz SQOQUMJIUKVQSO-HXUWFJFHSA-N 1 2 396.535 3.616 20 30 GHEDLO C=CCOC[C@H]1C[N@H+](Cc2cc(C)c(OC)cc2C)Cc2nnn(CC3CC3)c21 ZINC001203753544 1027576042 /nfs/dbraw/zinc/57/60/42/1027576042.db2.gz SQOQUMJIUKVQSO-HXUWFJFHSA-N 1 2 396.535 3.616 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1cc(OC)cc(OC)c1)CC2 ZINC001203853428 1027659662 /nfs/dbraw/zinc/65/96/62/1027659662.db2.gz BSVQCVWZTJKXHB-UHFFFAOYSA-N 1 2 397.519 3.571 20 30 GHEDLO C=CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1cc(OC)cc(OC)c1)CC2 ZINC001203853428 1027659668 /nfs/dbraw/zinc/65/96/68/1027659668.db2.gz BSVQCVWZTJKXHB-UHFFFAOYSA-N 1 2 397.519 3.571 20 30 GHEDLO CSc1nc(C[N@@H+]2CCC[C@H](N3Cc4ccccc4NC3=O)C2)ccc1C#N ZINC001141945552 1027725724 /nfs/dbraw/zinc/72/57/24/1027725724.db2.gz CXWMPMSNPOMUKC-SFHVURJKSA-N 1 2 393.516 3.687 20 30 GHEDLO CSc1nc(C[N@H+]2CCC[C@H](N3Cc4ccccc4NC3=O)C2)ccc1C#N ZINC001141945552 1027725742 /nfs/dbraw/zinc/72/57/42/1027725742.db2.gz CXWMPMSNPOMUKC-SFHVURJKSA-N 1 2 393.516 3.687 20 30 GHEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(Cl)ccc1OC(F)(F)F ZINC001276430899 1027749976 /nfs/dbraw/zinc/74/99/76/1027749976.db2.gz WNSZEOVUGYGJOX-HUUCEWRRSA-N 1 2 388.817 3.990 20 30 GHEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(Cl)ccc1OC(F)(F)F ZINC001276430899 1027749989 /nfs/dbraw/zinc/74/99/89/1027749989.db2.gz WNSZEOVUGYGJOX-HUUCEWRRSA-N 1 2 388.817 3.990 20 30 GHEDLO CC#Cc1cncc(Nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)[nH+]c2)c1 ZINC001211055412 1027770717 /nfs/dbraw/zinc/77/07/17/1027770717.db2.gz SBNLSUROQWDFGF-UHFFFAOYSA-N 1 2 393.491 3.649 20 30 GHEDLO N#Cc1ccc(N2CCC[N@@H+](Cc3c(Cl)cc(O)cc3Cl)CC2)nc1 ZINC001142114864 1028155493 /nfs/dbraw/zinc/15/54/93/1028155493.db2.gz QSMZSSGQADVSSL-UHFFFAOYSA-N 1 2 377.275 3.678 20 30 GHEDLO N#Cc1ccc(N2CCC[N@H+](Cc3c(Cl)cc(O)cc3Cl)CC2)nc1 ZINC001142114864 1028155510 /nfs/dbraw/zinc/15/55/10/1028155510.db2.gz QSMZSSGQADVSSL-UHFFFAOYSA-N 1 2 377.275 3.678 20 30 GHEDLO N#Cc1ccc(Nc2ccc(OCC[NH+]3CCOCC3)cc2F)c(Cl)c1 ZINC001213482941 1028214716 /nfs/dbraw/zinc/21/47/16/1028214716.db2.gz DDKIZBWSWRBVIV-UHFFFAOYSA-N 1 2 375.831 3.805 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC001142196823 1028339986 /nfs/dbraw/zinc/33/99/86/1028339986.db2.gz LZBOYDYUADLZTD-HXUWFJFHSA-N 1 2 397.519 3.677 20 30 GHEDLO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC001142196823 1028340004 /nfs/dbraw/zinc/34/00/04/1028340004.db2.gz LZBOYDYUADLZTD-HXUWFJFHSA-N 1 2 397.519 3.677 20 30 GHEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1c(OC)cc(C)cc1OC)CCO2 ZINC001143141836 1029865863 /nfs/dbraw/zinc/86/58/63/1029865863.db2.gz GGNXJZJYSHVLTF-PGRDOPGGSA-N 1 2 375.509 3.586 20 30 GHEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1c(OC)cc(C)cc1OC)CCO2 ZINC001143141836 1029865869 /nfs/dbraw/zinc/86/58/69/1029865869.db2.gz GGNXJZJYSHVLTF-PGRDOPGGSA-N 1 2 375.509 3.586 20 30 GHEDLO N#Cc1cccc(-c2noc(-c3cc(-n4cc[nH+]c4)c(F)cc3[N+](=O)[O-])n2)c1 ZINC001217000088 1030069806 /nfs/dbraw/zinc/06/98/06/1030069806.db2.gz KBZJLAYNUAPQIA-UHFFFAOYSA-N 1 2 376.307 3.508 20 30 GHEDLO N#Cc1csc(CNc2[nH]c3ccc(I)cc3[nH+]2)c1 ZINC001461652070 1069659598 /nfs/dbraw/zinc/65/95/98/1069659598.db2.gz ILPPAERWCFIPAI-UHFFFAOYSA-N 1 2 380.214 3.713 20 30 GHEDLO N#Cc1csc(CNc2[nH]c3cc(I)ccc3[nH+]2)c1 ZINC001461652070 1069659605 /nfs/dbraw/zinc/65/96/05/1069659605.db2.gz ILPPAERWCFIPAI-UHFFFAOYSA-N 1 2 380.214 3.713 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Br)cnc1C ZINC001276852200 1030362445 /nfs/dbraw/zinc/36/24/45/1030362445.db2.gz PGLGAEPCNSANAH-IBGZPJMESA-N 1 2 392.341 3.686 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(Br)cnc1C ZINC001276852200 1030362461 /nfs/dbraw/zinc/36/24/61/1030362461.db2.gz PGLGAEPCNSANAH-IBGZPJMESA-N 1 2 392.341 3.686 20 30 GHEDLO COc1ccc(OC)c(/C(=N/O)O[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C)c1 ZINC001223889059 1030791955 /nfs/dbraw/zinc/79/19/55/1030791955.db2.gz VNROWVRIAMFNSJ-HBLNMXPXSA-N 1 2 384.476 3.767 20 30 GHEDLO COc1ccc(OC)c(/C(=N/O)O[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)c1 ZINC001223889059 1030791968 /nfs/dbraw/zinc/79/19/68/1030791968.db2.gz VNROWVRIAMFNSJ-HBLNMXPXSA-N 1 2 384.476 3.767 20 30 GHEDLO C=CC[N@H+](Cc1cc(C)cc(OC)c1O)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001205411834 1033399517 /nfs/dbraw/zinc/39/95/17/1033399517.db2.gz PVSCKCOPLSYKPH-FQEVSTJZSA-N 1 2 383.488 3.872 20 30 GHEDLO C=CC[N@@H+](Cc1cc(C)cc(OC)c1O)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001205411834 1033399530 /nfs/dbraw/zinc/39/95/30/1033399530.db2.gz PVSCKCOPLSYKPH-FQEVSTJZSA-N 1 2 383.488 3.872 20 30 GHEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2c(Br)ccc(C)c2F)C1=O ZINC001277433638 1033810210 /nfs/dbraw/zinc/81/02/10/1033810210.db2.gz KKKJDTOEQDKJCW-SFHVURJKSA-N 1 2 381.289 3.650 20 30 GHEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2c(Br)ccc(C)c2F)C1=O ZINC001277433638 1033810218 /nfs/dbraw/zinc/81/02/18/1033810218.db2.gz KKKJDTOEQDKJCW-SFHVURJKSA-N 1 2 381.289 3.650 20 30 GHEDLO COc1ccc(C[NH+]2CCOCC2)cc1-c1ccc(C#C[Si](C)(C)C)cn1 ZINC001206476897 1033862935 /nfs/dbraw/zinc/86/29/35/1033862935.db2.gz OKIBVJVQBLYKES-UHFFFAOYSA-N 1 2 380.564 3.818 20 30 GHEDLO O[C@]1(C(F)(F)F)CC[N@H+](Cc2c(F)cccc2OC(F)F)CC[C@H]1F ZINC001207112274 1034098931 /nfs/dbraw/zinc/09/89/31/1034098931.db2.gz YIGOJUVRMZBMBE-TZMCWYRMSA-N 1 2 375.284 3.654 20 30 GHEDLO O[C@]1(C(F)(F)F)CC[N@@H+](Cc2c(F)cccc2OC(F)F)CC[C@H]1F ZINC001207112274 1034098947 /nfs/dbraw/zinc/09/89/47/1034098947.db2.gz YIGOJUVRMZBMBE-TZMCWYRMSA-N 1 2 375.284 3.654 20 30 GHEDLO Cc1nc(Cl)nc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)c1C#N ZINC001158544543 1034140203 /nfs/dbraw/zinc/14/02/03/1034140203.db2.gz BYXNZQLBLDWDEO-HNNXBMFYSA-N 1 2 395.816 3.563 20 30 GHEDLO Cc1nc(Cl)nc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)c1C#N ZINC001158544543 1034140208 /nfs/dbraw/zinc/14/02/08/1034140208.db2.gz BYXNZQLBLDWDEO-HNNXBMFYSA-N 1 2 395.816 3.563 20 30 GHEDLO CO[C@@]1(C(F)(F)F)CC[N@H+](Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC001207312839 1034260860 /nfs/dbraw/zinc/26/08/60/1034260860.db2.gz HSELZVLMDRSZEC-ZDUSSCGKSA-N 1 2 375.284 3.920 20 30 GHEDLO CO[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC001207312839 1034260874 /nfs/dbraw/zinc/26/08/74/1034260874.db2.gz HSELZVLMDRSZEC-ZDUSSCGKSA-N 1 2 375.284 3.920 20 30 GHEDLO C#CCOc1cccc(Cl)c1C[NH2+][C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC001207393857 1034338232 /nfs/dbraw/zinc/33/82/32/1034338232.db2.gz QSLPCNTZORDQMA-SFHVURJKSA-N 1 2 389.282 3.901 20 30 GHEDLO CCOC(=O)n1nc2c(c1Nc1ncccc1C#C[Si](C)(C)C)C[NH2+]C2(C)C ZINC001159661187 1034707235 /nfs/dbraw/zinc/70/72/35/1034707235.db2.gz APHWGLRCSBZYHB-UHFFFAOYSA-N 1 2 397.555 3.594 20 30 GHEDLO CCOC(=O)n1nc2c(c1Nc1cc(C#C[Si](C)(C)C)ccn1)C[NH2+]C2(C)C ZINC001159662672 1034709294 /nfs/dbraw/zinc/70/92/94/1034709294.db2.gz YXCSUDLJUFTHBQ-UHFFFAOYSA-N 1 2 397.555 3.594 20 30 GHEDLO C#CC[N@@H+](CC1=CS[C@@H](N)N1C(=O)OC(C)(C)C)[C@@H]1CCc2ccccc21 ZINC001208650921 1034968205 /nfs/dbraw/zinc/96/82/05/1034968205.db2.gz NXSKHMWVGXDHDR-MOPGFXCFSA-N 1 2 385.533 3.677 20 30 GHEDLO C#CC[N@H+](CC1=CS[C@@H](N)N1C(=O)OC(C)(C)C)[C@@H]1CCc2ccccc21 ZINC001208650921 1034968207 /nfs/dbraw/zinc/96/82/07/1034968207.db2.gz NXSKHMWVGXDHDR-MOPGFXCFSA-N 1 2 385.533 3.677 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1CCCCCOCc1ccccc1 ZINC001208811831 1035033287 /nfs/dbraw/zinc/03/32/87/1035033287.db2.gz TWSLEFKYTOJGMO-JOCHJYFZSA-N 1 2 398.551 3.787 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1CCCCCOCc1ccccc1 ZINC001208811831 1035033297 /nfs/dbraw/zinc/03/32/97/1035033297.db2.gz TWSLEFKYTOJGMO-JOCHJYFZSA-N 1 2 398.551 3.787 20 30 GHEDLO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1c(F)cncc1Br)C2 ZINC001232126013 1035110668 /nfs/dbraw/zinc/11/06/68/1035110668.db2.gz AMLAHEPEMQCWLA-SFHVURJKSA-N 1 2 396.304 3.516 20 30 GHEDLO C=CCN1C(=O)CCC[C@@]12CCC[N@H+](Cc1c(F)cncc1Br)C2 ZINC001232126013 1035110673 /nfs/dbraw/zinc/11/06/73/1035110673.db2.gz AMLAHEPEMQCWLA-SFHVURJKSA-N 1 2 396.304 3.516 20 30 GHEDLO N#Cc1cc(I)c(Nc2cccc3[nH+]c[nH]c32)cc1F ZINC001213034320 1035280296 /nfs/dbraw/zinc/28/02/96/1035280296.db2.gz CQSQHOBIHSUZOK-UHFFFAOYSA-N 1 2 378.148 3.922 20 30 GHEDLO CC(C)(C)OC(=O)NC1CCN(c2ccc(Nc3ccc(C#N)nc3)c[nH+]2)CC1 ZINC001209544563 1035309937 /nfs/dbraw/zinc/30/99/37/1035309937.db2.gz MKIPDPSLUZDKSU-UHFFFAOYSA-N 1 2 394.479 3.585 20 30 GHEDLO N#Cc1ccc(Oc2nc(-c3ccccc3C[NH+]3CCOCC3)ncc2F)cc1 ZINC001241989241 1035780809 /nfs/dbraw/zinc/78/08/09/1035780809.db2.gz LIEVDGHOYPOXHT-UHFFFAOYSA-N 1 2 390.418 3.779 20 30 GHEDLO C#CCCCCCC[NH+]1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC001462023144 1069951370 /nfs/dbraw/zinc/95/13/70/1069951370.db2.gz ASBPTTQGVKQTNA-UHFFFAOYSA-N 1 2 384.545 3.730 20 30 GHEDLO N#Cc1cccc(-c2noc([C@H]3[NH2+]CCc4cc(Br)ccc43)n2)c1 ZINC001248631105 1036009471 /nfs/dbraw/zinc/00/94/71/1036009471.db2.gz QLTNXTJYOBMPQQ-INIZCTEOSA-N 1 2 381.233 3.606 20 30 GHEDLO COc1cc(C#N)ccc1OC1CC[NH+](Cc2c(Cl)ccnc2OC)CC1 ZINC001248794999 1036160926 /nfs/dbraw/zinc/16/09/26/1036160926.db2.gz LPWQYQHCFHYYGU-UHFFFAOYSA-N 1 2 387.867 3.667 20 30 GHEDLO N#Cc1ccc2ccnc(-c3ccc(OCC[NH+]4CCOCC4)cc3F)c2c1 ZINC001244128927 1036384567 /nfs/dbraw/zinc/38/45/67/1036384567.db2.gz FLWUNOFXARMJCP-UHFFFAOYSA-N 1 2 377.419 3.624 20 30 GHEDLO N#Cc1ccc(NC(=S)NCc2c[nH+]cn2C2CCC2)cc1C(F)(F)F ZINC001245800102 1037003925 /nfs/dbraw/zinc/00/39/25/1037003925.db2.gz NYKSAWXVZVKWQU-UHFFFAOYSA-N 1 2 379.411 3.985 20 30 GHEDLO C=CCOC1CCC([N@H+]2CCN[C@H](c3cccc(Br)c3)C2)CC1 ZINC001246807504 1037642718 /nfs/dbraw/zinc/64/27/18/1037642718.db2.gz RMIZWQZPMUUOMB-ACBHZAAOSA-N 1 2 379.342 3.909 20 30 GHEDLO C=CCOC1CCC([N@@H+]2CCN[C@H](c3cccc(Br)c3)C2)CC1 ZINC001246807504 1037642731 /nfs/dbraw/zinc/64/27/31/1037642731.db2.gz RMIZWQZPMUUOMB-ACBHZAAOSA-N 1 2 379.342 3.909 20 30 GHEDLO C=CC[NH+]1CCN(Cc2cc(Br)c(Br)s2)CC1 ZINC001232297452 1038040036 /nfs/dbraw/zinc/04/00/36/1038040036.db2.gz ZSWLQQDFYIXUMZ-UHFFFAOYSA-N 1 2 380.149 3.577 20 30 GHEDLO COc1ccc(OC(C)C)c(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c1 ZINC001232388463 1038170014 /nfs/dbraw/zinc/17/00/14/1038170014.db2.gz FDJOATCIRMXRDQ-UHFFFAOYSA-N 1 2 383.467 3.815 20 30 GHEDLO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ncc(Cl)cc3Cl)C2)C1 ZINC001232570714 1038339356 /nfs/dbraw/zinc/33/93/56/1038339356.db2.gz FRHGTJKEQHSQCH-SFHVURJKSA-N 1 2 384.307 3.999 20 30 GHEDLO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](Cc3ncc(Cl)cc3Cl)C2)C1 ZINC001232570714 1038339370 /nfs/dbraw/zinc/33/93/70/1038339370.db2.gz FRHGTJKEQHSQCH-SFHVURJKSA-N 1 2 384.307 3.999 20 30 GHEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@]2(C[C@H](OCc3cccnc3)CO2)C1 ZINC001232606755 1038389514 /nfs/dbraw/zinc/38/95/14/1038389514.db2.gz ZSZODNZFBNDUSY-FCHUYYIVSA-N 1 2 397.906 3.947 20 30 GHEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@]2(C[C@H](OCc3cccnc3)CO2)C1 ZINC001232606755 1038389521 /nfs/dbraw/zinc/38/95/21/1038389521.db2.gz ZSZODNZFBNDUSY-FCHUYYIVSA-N 1 2 397.906 3.947 20 30 GHEDLO O=C1C=C2C[N@H+](Cc3cnn(-c4cccc(C(F)(F)F)c4)c3)CC[C@H]2S1 ZINC001233038701 1038793043 /nfs/dbraw/zinc/79/30/43/1038793043.db2.gz SQZUBBNZWDOKBD-MRXNPFEDSA-N 1 2 379.407 3.665 20 30 GHEDLO O=C1C=C2C[N@@H+](Cc3cnn(-c4cccc(C(F)(F)F)c4)c3)CC[C@H]2S1 ZINC001233038701 1038793054 /nfs/dbraw/zinc/79/30/54/1038793054.db2.gz SQZUBBNZWDOKBD-MRXNPFEDSA-N 1 2 379.407 3.665 20 30 GHEDLO CN(C)c1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)OC(C)(C)C)c(F)c1C#N ZINC001233097609 1038871397 /nfs/dbraw/zinc/87/13/97/1038871397.db2.gz XVDZTQCYHJGDFY-INIZCTEOSA-N 1 2 390.503 3.643 20 30 GHEDLO CN(C)c1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)OC(C)(C)C)c(F)c1C#N ZINC001233097609 1038871417 /nfs/dbraw/zinc/87/14/17/1038871417.db2.gz XVDZTQCYHJGDFY-INIZCTEOSA-N 1 2 390.503 3.643 20 30 GHEDLO COc1cccc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)c1NC(=O)OC(C)(C)C ZINC001233126528 1038912686 /nfs/dbraw/zinc/91/26/86/1038912686.db2.gz LHUGFPNWAVGUDU-INIZCTEOSA-N 1 2 390.505 3.816 20 30 GHEDLO COc1ccc(C[N@@H+]2CCCC[C@@H]2CN(C)Cc2ccc(C#N)cc2O)cc1 ZINC001233387782 1039211795 /nfs/dbraw/zinc/21/17/95/1039211795.db2.gz YCKBQTKCHOCXLU-OAQYLSRUSA-N 1 2 379.504 3.759 20 30 GHEDLO COc1ccc(C[N@H+]2CCCC[C@@H]2CN(C)Cc2ccc(C#N)cc2O)cc1 ZINC001233387782 1039211817 /nfs/dbraw/zinc/21/18/17/1039211817.db2.gz YCKBQTKCHOCXLU-OAQYLSRUSA-N 1 2 379.504 3.759 20 30 GHEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001252971241 1039304468 /nfs/dbraw/zinc/30/44/68/1039304468.db2.gz PGWCBMFAOMRHFI-CTNGQTDRSA-N 1 2 385.552 3.966 20 30 GHEDLO CCCC(=O)c1cc(O)c(O)cc1O[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001233496707 1039389908 /nfs/dbraw/zinc/38/99/08/1039389908.db2.gz GUYMZECIAHFUEH-QGZVFWFLSA-N 1 2 380.444 3.606 20 30 GHEDLO CCCC(=O)c1cc(O)c(O)cc1O[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001233496707 1039389922 /nfs/dbraw/zinc/38/99/22/1039389922.db2.gz GUYMZECIAHFUEH-QGZVFWFLSA-N 1 2 380.444 3.606 20 30 GHEDLO CC[N@H+](CCC#N)C[C@H](O)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12 ZINC001253219660 1039479350 /nfs/dbraw/zinc/47/93/50/1039479350.db2.gz DPFHJNSNSSXRGN-FQEVSTJZSA-N 1 2 391.471 3.788 20 30 GHEDLO CC[N@@H+](CCC#N)C[C@H](O)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12 ZINC001253219660 1039479360 /nfs/dbraw/zinc/47/93/60/1039479360.db2.gz DPFHJNSNSSXRGN-FQEVSTJZSA-N 1 2 391.471 3.788 20 30 GHEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCC(F)(F)F ZINC001277817527 1039697271 /nfs/dbraw/zinc/69/72/71/1039697271.db2.gz QTRXOABBRXUAPS-HZPDHXFCSA-N 1 2 385.817 3.729 20 30 GHEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCC(F)(F)F ZINC001277817527 1039697277 /nfs/dbraw/zinc/69/72/77/1039697277.db2.gz QTRXOABBRXUAPS-HZPDHXFCSA-N 1 2 385.817 3.729 20 30 GHEDLO COC(=O)[C@@H]([NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1)[C@@H](C)OC(C)(C)C ZINC001254347149 1040180747 /nfs/dbraw/zinc/18/07/47/1040180747.db2.gz CZYVTYHFQDRHON-XPKSXUOMSA-N 1 2 390.499 3.864 20 30 GHEDLO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cc(F)c(F)c(F)c3F)C2)C1 ZINC001235343235 1040813969 /nfs/dbraw/zinc/81/39/69/1040813969.db2.gz URCBTGNHWSVQQB-LJQANCHMSA-N 1 2 386.389 3.854 20 30 GHEDLO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](Cc3cc(F)c(F)c(F)c3F)C2)C1 ZINC001235343235 1040813983 /nfs/dbraw/zinc/81/39/83/1040813983.db2.gz URCBTGNHWSVQQB-LJQANCHMSA-N 1 2 386.389 3.854 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCCC[C@](O)(C(F)(F)F)C2)cc1Br ZINC001236855955 1041930551 /nfs/dbraw/zinc/93/05/51/1041930551.db2.gz IQIUHXMQCPQNMH-CQSZACIVSA-N 1 2 377.204 3.600 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@](O)(C(F)(F)F)C2)cc1Br ZINC001236855955 1041930553 /nfs/dbraw/zinc/93/05/53/1041930553.db2.gz IQIUHXMQCPQNMH-CQSZACIVSA-N 1 2 377.204 3.600 20 30 GHEDLO N#Cc1ccc(CN2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)cc1Br ZINC001236861497 1041932522 /nfs/dbraw/zinc/93/25/22/1041932522.db2.gz SWXUANBKVPCTHU-MRXNPFEDSA-N 1 2 384.268 3.626 20 30 GHEDLO COc1ccc(C(F)(F)F)c(C[NH+]2CCN(c3cccc(C#N)c3)CC2)c1 ZINC001238050673 1042474376 /nfs/dbraw/zinc/47/43/76/1042474376.db2.gz MABSLQYNKHOFJF-UHFFFAOYSA-N 1 2 375.394 3.908 20 30 GHEDLO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3c(F)ccnc3Cl)CC2)C1 ZINC001238226364 1042525225 /nfs/dbraw/zinc/52/52/25/1042525225.db2.gz UTUCMXLOJITDFY-UHFFFAOYSA-N 1 2 381.879 3.875 20 30 GHEDLO COc1cc(C[NH+]2CCN(c3ccc(F)c(Cl)c3F)CC2)ccc1C#N ZINC001238412704 1042587868 /nfs/dbraw/zinc/58/78/68/1042587868.db2.gz JHOBELKWBUWJRP-UHFFFAOYSA-N 1 2 377.822 3.821 20 30 GHEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(OCC)cc(C(F)(F)F)c2)C1 ZINC001238496809 1042619630 /nfs/dbraw/zinc/61/96/30/1042619630.db2.gz FPVXTNMBLLBBDS-MRXNPFEDSA-N 1 2 386.414 3.981 20 30 GHEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc(OCC)cc(C(F)(F)F)c2)C1 ZINC001238496809 1042619633 /nfs/dbraw/zinc/61/96/33/1042619633.db2.gz FPVXTNMBLLBBDS-MRXNPFEDSA-N 1 2 386.414 3.981 20 30 GHEDLO COC(=O)C1(C#N)CC[NH+](Cc2ccc(-c3ccc(OC(C)C)cc3)nc2)CC1 ZINC001238535307 1042632281 /nfs/dbraw/zinc/63/22/81/1042632281.db2.gz GPJDVCKBJLYENH-UHFFFAOYSA-N 1 2 393.487 3.815 20 30 GHEDLO N#Cc1cc(C(F)(F)F)ccc1-c1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001238844033 1042741315 /nfs/dbraw/zinc/74/13/15/1042741315.db2.gz SFDZRLKDQQKAIS-UHFFFAOYSA-N 1 2 376.378 3.955 20 30 GHEDLO CC(C)(C)OC(=O)[C@H](CC(=O)OCc1ccccc1)[NH2+]C1CCC(C#N)CC1 ZINC001256956104 1043772416 /nfs/dbraw/zinc/77/24/16/1043772416.db2.gz JQYONVSVOBACDE-KVZIAJEVSA-N 1 2 386.492 3.502 20 30 GHEDLO C[C@@H](O)[C@@H]([NH2+]C1CCC(c2ccc(C#N)cc2)CC1)C(=O)OCc1ccccc1 ZINC001257013481 1043799695 /nfs/dbraw/zinc/79/96/95/1043799695.db2.gz ILSOWADRTDAHTO-TXMXJNAJSA-N 1 2 392.499 3.667 20 30 GHEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+]([C@@H]1COc3ccc(Cl)cc3C1)CCO2 ZINC001257964365 1044281583 /nfs/dbraw/zinc/28/15/83/1044281583.db2.gz RHFKIGUMEZZNDK-HFSMHLIXSA-N 1 2 377.912 3.717 20 30 GHEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+]([C@@H]1COc3ccc(Cl)cc3C1)CCO2 ZINC001257964365 1044281597 /nfs/dbraw/zinc/28/15/97/1044281597.db2.gz RHFKIGUMEZZNDK-HFSMHLIXSA-N 1 2 377.912 3.717 20 30 GHEDLO CC(C)c1[nH+]ccn1Cc1cccc(NS(=O)(=O)c2ccccc2C#N)c1 ZINC001258273520 1044486947 /nfs/dbraw/zinc/48/69/47/1044486947.db2.gz JAQMLBFJQFFMID-UHFFFAOYSA-N 1 2 380.473 3.727 20 30 GHEDLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNc3cc(C(F)(F)F)cc(C#N)n3)C2)cc1 ZINC001307191826 1044989244 /nfs/dbraw/zinc/98/92/44/1044989244.db2.gz VTIZRMNPKCIUCY-SFHVURJKSA-N 1 2 390.409 3.593 20 30 GHEDLO Cc1ccc(C[N@H+]2CCO[C@@H](CNc3cc(C(F)(F)F)cc(C#N)n3)C2)cc1 ZINC001307191826 1044989246 /nfs/dbraw/zinc/98/92/46/1044989246.db2.gz VTIZRMNPKCIUCY-SFHVURJKSA-N 1 2 390.409 3.593 20 30 GHEDLO C=CCN(C)c1nnc(C2CCCC2)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001301295955 1046460804 /nfs/dbraw/zinc/46/08/04/1046460804.db2.gz NJXXYZOVLXSMKL-UHFFFAOYSA-N 1 2 376.508 3.851 20 30 GHEDLO COc1ccc(Nc2nnc(C3CC[NH+](CCC#N)CC3)n2CC2CC2)cc1 ZINC001263756590 1047095323 /nfs/dbraw/zinc/09/53/23/1047095323.db2.gz SRFDZVGPXZRWBK-UHFFFAOYSA-N 1 2 380.496 3.533 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2CC2(c3ccccc3)CCC2)CC1 ZINC001286472899 1048336739 /nfs/dbraw/zinc/33/67/39/1048336739.db2.gz WWTVOMDIRLFVDN-FQEVSTJZSA-N 1 2 391.563 3.669 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2Cc2cc3ccccc3s2)CC1 ZINC001286472280 1048336832 /nfs/dbraw/zinc/33/68/32/1048336832.db2.gz ROQYGNZPBIIUPS-QGZVFWFLSA-N 1 2 393.560 3.810 20 30 GHEDLO C=CCCCn1c(CC(C)(C)C)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001286701216 1048461489 /nfs/dbraw/zinc/46/14/89/1048461489.db2.gz WSOOGMHABYRGKA-UHFFFAOYSA-N 1 2 382.556 3.857 20 30 GHEDLO CSc1ccc(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)cc1C#N ZINC001288803140 1049232341 /nfs/dbraw/zinc/23/23/41/1049232341.db2.gz NRWHAWLUOGZXLJ-HXUWFJFHSA-N 1 2 397.569 3.686 20 30 GHEDLO CC(C)(C)c1nnc(N2CCC(C)(C#N)CC2)n1CCCNc1cccc[nH+]1 ZINC001288983506 1049275352 /nfs/dbraw/zinc/27/53/52/1049275352.db2.gz UIYHLHVLFIVOSX-UHFFFAOYSA-N 1 2 381.528 3.603 20 30 GHEDLO C#CC(C)(C)[N@@H+](C)CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(OC)cc1 ZINC001307679943 1049502619 /nfs/dbraw/zinc/50/26/19/1049502619.db2.gz PETDOVHMMNJZNQ-JOCHJYFZSA-N 1 2 389.499 3.717 20 30 GHEDLO C#CC(C)(C)[N@H+](C)CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(OC)cc1 ZINC001307679943 1049502630 /nfs/dbraw/zinc/50/26/30/1049502630.db2.gz PETDOVHMMNJZNQ-JOCHJYFZSA-N 1 2 389.499 3.717 20 30 GHEDLO C=CCC[C@H]1CCC[N@@H+]1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC001308138049 1049877881 /nfs/dbraw/zinc/87/78/81/1049877881.db2.gz UMFWJILXZHCCIO-INIZCTEOSA-N 1 2 388.467 3.831 20 30 GHEDLO C=CCC[C@H]1CCC[N@H+]1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC001308138049 1049877888 /nfs/dbraw/zinc/87/78/88/1049877888.db2.gz UMFWJILXZHCCIO-INIZCTEOSA-N 1 2 388.467 3.831 20 30 GHEDLO N#Cc1ccc(CCNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)cc1 ZINC001310444265 1051361700 /nfs/dbraw/zinc/36/17/00/1051361700.db2.gz LITPZMMOHMAWGU-UHFFFAOYSA-N 1 2 383.455 3.838 20 30 GHEDLO Cc1cc(F)c(C#N)cc1NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC001311179847 1051924640 /nfs/dbraw/zinc/92/46/40/1051924640.db2.gz DDORAOUUHBIYGZ-IBGZPJMESA-N 1 2 377.423 3.845 20 30 GHEDLO C=CC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001311682367 1052326545 /nfs/dbraw/zinc/32/65/45/1052326545.db2.gz MGVCPOSGFUZBQD-LJQANCHMSA-N 1 2 378.451 3.998 20 30 GHEDLO C=C(C)Cn1c(Cc2ccco2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001342280855 1053069600 /nfs/dbraw/zinc/06/96/00/1053069600.db2.gz NVDZMISGTIIZAV-UHFFFAOYSA-N 1 2 378.480 3.514 20 30 GHEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N(C)Cc1cnn(CC)c1 ZINC001342298335 1053085375 /nfs/dbraw/zinc/08/53/75/1053085375.db2.gz IKILQVXHZNTNMW-GOSISDBHSA-N 1 2 393.539 3.510 20 30 GHEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N(C)Cc1cnn(CC)c1 ZINC001342298335 1053085395 /nfs/dbraw/zinc/08/53/95/1053085395.db2.gz IKILQVXHZNTNMW-GOSISDBHSA-N 1 2 393.539 3.510 20 30 GHEDLO C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCC([C@H]2CCCCO2)CC1 ZINC001342978081 1053473633 /nfs/dbraw/zinc/47/36/33/1053473633.db2.gz IARYLGAXPAEQDM-HXUWFJFHSA-N 1 2 387.572 3.626 20 30 GHEDLO C[C@@H](CC#N)OC(=O)c1cccnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001343462837 1053786104 /nfs/dbraw/zinc/78/61/04/1053786104.db2.gz LMHOXTLWFHHYBM-INIZCTEOSA-N 1 2 398.894 3.516 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001343768617 1054010281 /nfs/dbraw/zinc/01/02/81/1054010281.db2.gz NQBSHXSKNSTYRA-SFHVURJKSA-N 1 2 375.561 3.795 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001343768617 1054010290 /nfs/dbraw/zinc/01/02/90/1054010290.db2.gz NQBSHXSKNSTYRA-SFHVURJKSA-N 1 2 375.561 3.795 20 30 GHEDLO C[C@H]1CN(c2ccccc2C=[NH+]Nc2cncc(Br)c2)CCO1 ZINC001320229601 1055716317 /nfs/dbraw/zinc/71/63/17/1055716317.db2.gz LXIFDNUBTRIAEZ-ZDUSSCGKSA-N 1 2 375.270 3.515 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2C[C@@H]2CCCCC(F)(F)C2)CC1 ZINC001300683483 1056863066 /nfs/dbraw/zinc/86/30/66/1056863066.db2.gz OKOSAYVOTVTDLB-QZTJIDSGSA-N 1 2 393.526 3.762 20 30 GHEDLO N#Cc1ccccc1C(F)(F)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC001442010943 1058903189 /nfs/dbraw/zinc/90/31/89/1058903189.db2.gz OSGJRUTXJPJAIF-UHFFFAOYSA-N 1 2 376.432 3.731 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@@H](C)[C@@H]1c1ccccc1 ZINC001339367718 1059147886 /nfs/dbraw/zinc/14/78/86/1059147886.db2.gz KZJBCSCEMAMKMO-WIYYLYMNSA-N 1 2 392.551 3.979 20 30 GHEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCC[C@H]1c1cccs1 ZINC001339475598 1059242516 /nfs/dbraw/zinc/24/25/16/1059242516.db2.gz NLVOPANKYHWPRK-SQNIBIBYSA-N 1 2 399.564 3.793 20 30 GHEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCC[C@H]1c1cccs1 ZINC001339475598 1059242530 /nfs/dbraw/zinc/24/25/30/1059242530.db2.gz NLVOPANKYHWPRK-SQNIBIBYSA-N 1 2 399.564 3.793 20 30 GHEDLO N#C[C@H]1C[C@H]1C(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001446532209 1059793666 /nfs/dbraw/zinc/79/36/66/1059793666.db2.gz XFFMXXURGDPNLO-NRSPTQNISA-N 1 2 379.891 3.733 20 30 GHEDLO C[N@@H+]1CCCC[C@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCc1ccccc1 ZINC001341624842 1060779478 /nfs/dbraw/zinc/77/94/78/1060779478.db2.gz XZACNWGLGJZNCM-REWPJTCUSA-N 1 2 392.551 3.808 20 30 GHEDLO C[N@H+]1CCCC[C@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCc1ccccc1 ZINC001341624842 1060779494 /nfs/dbraw/zinc/77/94/94/1060779494.db2.gz XZACNWGLGJZNCM-REWPJTCUSA-N 1 2 392.551 3.808 20 30 GHEDLO CC(C)[C@@H]1CCCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CC2CC2)C1 ZINC001346602911 1061722681 /nfs/dbraw/zinc/72/26/81/1061722681.db2.gz RUMVQGZFMLSCGQ-HXUWFJFHSA-N 1 2 384.572 3.654 20 30 GHEDLO C=CCO[C@@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2)C1 ZINC001347170817 1062184294 /nfs/dbraw/zinc/18/42/94/1062184294.db2.gz NGCXNTVKPBGRAD-CQSZACIVSA-N 1 2 375.104 3.989 20 30 GHEDLO C=CCO[C@@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2)C1 ZINC001347170817 1062184305 /nfs/dbraw/zinc/18/43/05/1062184305.db2.gz NGCXNTVKPBGRAD-CQSZACIVSA-N 1 2 375.104 3.989 20 30 GHEDLO C=CC1(CC(=O)N2CCC[C@@H]2c2[nH]c(C)c(C)[nH+]2)CN(C(=O)OC(C)(C)C)C1 ZINC001455774728 1062287289 /nfs/dbraw/zinc/28/72/89/1062287289.db2.gz WENIUPIRUNWQNY-MRXNPFEDSA-N 1 2 388.512 3.503 20 30 GHEDLO N#Cc1cccc(OCCC[NH+]2CCN(c3ncc(Cl)cc3Cl)CC2)c1 ZINC001459314536 1064059927 /nfs/dbraw/zinc/05/99/27/1064059927.db2.gz RILGIQWYUOCNGE-UHFFFAOYSA-N 1 2 391.302 3.851 20 30 GHEDLO C#CCCOc1ccc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1 ZINC001351227926 1064316106 /nfs/dbraw/zinc/31/61/06/1064316106.db2.gz UFDMUNPBDDLIJU-UHFFFAOYSA-N 1 2 375.428 3.617 20 30 GHEDLO N#Cc1cccc(OC2CCN(C(=O)c3c[nH+]ccc3Nc3ccccc3)CC2)c1 ZINC001464969723 1065297358 /nfs/dbraw/zinc/29/73/58/1065297358.db2.gz MQRLTDZJUKVLOQ-UHFFFAOYSA-N 1 2 398.466 3.802 20 30 GHEDLO C#CC1CCC(c2nnc(N3CCC(Nc4cccc[nH+]4)CC3)n2CC)CC1 ZINC001352857063 1065380098 /nfs/dbraw/zinc/38/00/98/1065380098.db2.gz SUCCBBPZXULUTP-UHFFFAOYSA-N 1 2 378.524 3.681 20 30 GHEDLO C#CC[N@H+]1CCCN(C(=O)c2nc(-c3cccc(C(F)(F)F)c3)cs2)CC1 ZINC001465280466 1065520985 /nfs/dbraw/zinc/52/09/85/1065520985.db2.gz YYWYLYUPKQXLEK-UHFFFAOYSA-N 1 2 393.434 3.610 20 30 GHEDLO C#CC[N@@H+]1CCCN(C(=O)c2nc(-c3cccc(C(F)(F)F)c3)cs2)CC1 ZINC001465280466 1065520993 /nfs/dbraw/zinc/52/09/93/1065520993.db2.gz YYWYLYUPKQXLEK-UHFFFAOYSA-N 1 2 393.434 3.610 20 30 GHEDLO C#CCOc1ccc(NC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)cc1 ZINC001200402461 1066109450 /nfs/dbraw/zinc/10/94/50/1066109450.db2.gz HOUJMELMYDKTNT-UHFFFAOYSA-N 1 2 380.835 3.859 20 30 GHEDLO C[N@@H+]1CCC[C@H]1c1nnc(N2Cc3cccc(C#N)c3C2)n1CCc1ccccc1 ZINC001357980786 1067354458 /nfs/dbraw/zinc/35/44/58/1067354458.db2.gz KKYIAAYKRCNNPP-QFIPXVFZSA-N 1 2 398.514 3.679 20 30 GHEDLO C[N@H+]1CCC[C@H]1c1nnc(N2Cc3cccc(C#N)c3C2)n1CCc1ccccc1 ZINC001357980786 1067354466 /nfs/dbraw/zinc/35/44/66/1067354466.db2.gz KKYIAAYKRCNNPP-QFIPXVFZSA-N 1 2 398.514 3.679 20 30 GHEDLO N#Cc1ccc(F)c(C(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)c1 ZINC001467599260 1067378580 /nfs/dbraw/zinc/37/85/80/1067378580.db2.gz ARWRBWNKBVNHPF-UHFFFAOYSA-N 1 2 382.826 3.890 20 30 GHEDLO CC(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CC[C@H](C2CCC2)C1 ZINC001358096153 1067396784 /nfs/dbraw/zinc/39/67/84/1067396784.db2.gz CAJARNDEIPIKHY-FQEVSTJZSA-N 1 2 384.572 3.654 20 30 GHEDLO C=C(C)CN(CC)c1nnc(-c2ccccn2)n1C[C@H]1CCCn2cc(C)[nH+]c21 ZINC001359110305 1067689357 /nfs/dbraw/zinc/68/93/57/1067689357.db2.gz IEDINLWUNXOFKP-GOSISDBHSA-N 1 2 391.523 3.825 20 30 GHEDLO C=CCn1c(-c2ccccc2Cl)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001359286078 1067962707 /nfs/dbraw/zinc/96/27/07/1067962707.db2.gz RPFIHSGCVLHCIS-UHFFFAOYSA-N 1 2 394.910 3.808 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2Br)C[C@@H]1NC(=O)OC(C)(C)C ZINC000769864010 1068400295 /nfs/dbraw/zinc/40/02/95/1068400295.db2.gz CFOVUVXOFTYXCN-WBMJQRKESA-N 1 2 394.313 3.666 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)C[C@@H]1NC(=O)OC(C)(C)C ZINC000769864010 1068400302 /nfs/dbraw/zinc/40/03/02/1068400302.db2.gz CFOVUVXOFTYXCN-WBMJQRKESA-N 1 2 394.313 3.666 20 30 GHEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000769914614 1068405107 /nfs/dbraw/zinc/40/51/07/1068405107.db2.gz USJRBZBOKILCEC-UNMCSNQZSA-N 1 2 394.906 3.715 20 30 GHEDLO CC#CCCNC(=O)N1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC001469841331 1068422565 /nfs/dbraw/zinc/42/25/65/1068422565.db2.gz VNHPNWMNQYFJQV-UHFFFAOYSA-N 1 2 391.515 3.506 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCO[C@H](c2ccccc2)CC1 ZINC001460952021 1069293364 /nfs/dbraw/zinc/29/33/64/1069293364.db2.gz SLNWBPGPBARKII-BEFAXECRSA-N 1 2 395.528 3.899 20 30 GHEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCO[C@H](c2ccccc2)CC1 ZINC001460952021 1069293374 /nfs/dbraw/zinc/29/33/74/1069293374.db2.gz SLNWBPGPBARKII-BEFAXECRSA-N 1 2 395.528 3.899 20 30 GHEDLO N#Cc1cccc([C@H](NC(=O)Cc2c[nH+]cn2Cc2ccccc2)C(F)(F)F)c1 ZINC001471421723 1073065298 /nfs/dbraw/zinc/06/52/98/1073065298.db2.gz QFAVTGHOIIZQPP-FQEVSTJZSA-N 1 2 398.388 3.765 20 30 GHEDLO N#Cc1cccc(N2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)c1[N+](=O)[O-] ZINC001472642002 1073590803 /nfs/dbraw/zinc/59/08/03/1073590803.db2.gz FZNLCDFJONPACQ-UHFFFAOYSA-N 1 2 390.365 3.807 20 30 GHEDLO CCNc1cc(CNC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cc[nH+]1 ZINC001476324775 1075125312 /nfs/dbraw/zinc/12/53/12/1075125312.db2.gz JRDXVXSQJBIWAX-UHFFFAOYSA-N 1 2 395.854 3.546 20 30 GHEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cn1cc(C(C)C)n(C)c1=S ZINC000819745411 606155564 /nfs/dbraw/zinc/15/55/64/606155564.db2.gz BNAXDKGOUWIXOT-UHFFFAOYSA-N 1 2 383.525 3.505 20 30 GHEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cn1cc(C(C)C)n(C)c1=S ZINC000819745411 606155566 /nfs/dbraw/zinc/15/55/66/606155566.db2.gz BNAXDKGOUWIXOT-UHFFFAOYSA-N 1 2 383.525 3.505 20 30 GHEDLO C=CC[NH+]1CCN(C(F)(F)Oc2ccc3nc(Cl)c(Cl)nc3c2)CC1 ZINC001165031437 721866393 /nfs/dbraw/zinc/86/63/93/721866393.db2.gz JBNCZUVHKORFHC-UHFFFAOYSA-N 1 2 389.233 3.669 20 30 GHEDLO C[C@@H]([NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1nc(Cc2ccccc2)no1 ZINC000181065182 837814693 /nfs/dbraw/zinc/81/46/93/837814693.db2.gz HCIPPXBSRGALJW-MRXNPFEDSA-N 1 2 398.470 3.783 20 30 GHEDLO N#CCn1c(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc2ccccc21 ZINC000611989682 835347708 /nfs/dbraw/zinc/34/77/08/835347708.db2.gz UGEHHDXKTKXHGC-UHFFFAOYSA-N 1 2 375.476 3.694 20 30 GHEDLO N#CCCN(C(=O)CCC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccccc1 ZINC000109265475 835746713 /nfs/dbraw/zinc/74/67/13/835746713.db2.gz UIRQPNTWNKTCAD-UHFFFAOYSA-N 1 2 387.443 3.742 20 30 GHEDLO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000512537844 844092723 /nfs/dbraw/zinc/09/27/23/844092723.db2.gz ZAXDGYWDNUOVHH-JOCHJYFZSA-N 1 2 391.519 3.909 20 30 GHEDLO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000512537844 844092732 /nfs/dbraw/zinc/09/27/32/844092732.db2.gz ZAXDGYWDNUOVHH-JOCHJYFZSA-N 1 2 391.519 3.909 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)c(Cl)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000133761521 835947654 /nfs/dbraw/zinc/94/76/54/835947654.db2.gz SFRDZYGCUDLFTG-MSOLQXFVSA-N 1 2 375.806 3.665 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)c(Cl)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000133761521 835947663 /nfs/dbraw/zinc/94/76/63/835947663.db2.gz SFRDZYGCUDLFTG-MSOLQXFVSA-N 1 2 375.806 3.665 20 30 GHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)Cc2cscn2)c1C#N ZINC000472448850 836483069 /nfs/dbraw/zinc/48/30/69/836483069.db2.gz IGGDZPDFRGQAOP-UHFFFAOYSA-N 1 2 397.504 3.535 20 30 GHEDLO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](C)Cc2cscn2)c1C#N ZINC000472448850 836483074 /nfs/dbraw/zinc/48/30/74/836483074.db2.gz IGGDZPDFRGQAOP-UHFFFAOYSA-N 1 2 397.504 3.535 20 30 GHEDLO N#Cc1ccc(OCCC[N@@H+]2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)cc1 ZINC000376541145 837956074 /nfs/dbraw/zinc/95/60/74/837956074.db2.gz MVXAAGCTPULMKA-RBUKOAKNSA-N 1 2 382.464 3.789 20 30 GHEDLO N#Cc1ccc(OCCC[N@H+]2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)cc1 ZINC000376541145 837956077 /nfs/dbraw/zinc/95/60/77/837956077.db2.gz MVXAAGCTPULMKA-RBUKOAKNSA-N 1 2 382.464 3.789 20 30 GHEDLO CC(C)(C)c1ccc([C@H]2CCCN2C(=O)CO[NH+]=C(N)Cc2cccnc2)cc1 ZINC000179921498 838472322 /nfs/dbraw/zinc/47/23/22/838472322.db2.gz IQNSRCADHSAGAA-HXUWFJFHSA-N 1 2 394.519 3.574 20 30 GHEDLO CCc1ccc(C[NH+]2CCN(C(=O)N[C@H](C)c3cccc(C#N)c3)CC2)s1 ZINC000610358163 838665006 /nfs/dbraw/zinc/66/50/06/838665006.db2.gz ZPVDWQWRLQTZOU-MRXNPFEDSA-N 1 2 382.533 3.771 20 30 GHEDLO CC[C@@H]1Cc2c(Br)cccc2C[N@@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000580075597 838817825 /nfs/dbraw/zinc/81/78/25/838817825.db2.gz QCBANLRINASFEB-MRXNPFEDSA-N 1 2 396.292 3.700 20 30 GHEDLO CC[C@@H]1Cc2c(Br)cccc2C[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000580075597 838817832 /nfs/dbraw/zinc/81/78/32/838817832.db2.gz QCBANLRINASFEB-MRXNPFEDSA-N 1 2 396.292 3.700 20 30 GHEDLO N#CCc1ccc(OCc2ccccc2NC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000048161385 844386815 /nfs/dbraw/zinc/38/68/15/844386815.db2.gz HINDRFVMXHEQHP-UHFFFAOYSA-N 1 2 389.459 3.740 20 30 GHEDLO Cc1cnn([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)C2)c1 ZINC000580604709 839885781 /nfs/dbraw/zinc/88/57/81/839885781.db2.gz QSFRZDNDUQTQHB-JKSUJKDBSA-N 1 2 397.548 3.668 20 30 GHEDLO Cc1cnn([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)C2)c1 ZINC000580604709 839885783 /nfs/dbraw/zinc/88/57/83/839885783.db2.gz QSFRZDNDUQTQHB-JKSUJKDBSA-N 1 2 397.548 3.668 20 30 GHEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000580826371 840286293 /nfs/dbraw/zinc/28/62/93/840286293.db2.gz IMQRJUYZOJDUSX-BNGSBABLSA-N 1 2 381.520 3.559 20 30 GHEDLO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000580826371 840286303 /nfs/dbraw/zinc/28/63/03/840286303.db2.gz IMQRJUYZOJDUSX-BNGSBABLSA-N 1 2 381.520 3.559 20 30 GHEDLO Cc1cc(NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c(C#N)cc1N(C)C ZINC000417139432 840495145 /nfs/dbraw/zinc/49/51/45/840495145.db2.gz ORUXTZGZUAGMDB-UHFFFAOYSA-N 1 2 394.523 3.854 20 30 GHEDLO C[C@@H](CNC(=O)c1ccc(Sc2ccccc2C#N)cc1)Cn1cc[nH+]c1 ZINC000177879267 840539617 /nfs/dbraw/zinc/53/96/17/840539617.db2.gz LOSAVNJFLWYMSS-INIZCTEOSA-N 1 2 376.485 3.972 20 30 GHEDLO C[N@H+](Cc1cscn1)Cc1cccc(NCc2cnc3ccc(C#N)cn23)c1 ZINC000131885131 844611218 /nfs/dbraw/zinc/61/12/18/844611218.db2.gz LKMGDFBGMQMXQC-UHFFFAOYSA-N 1 2 388.500 3.907 20 30 GHEDLO C[N@@H+](Cc1cscn1)Cc1cccc(NCc2cnc3ccc(C#N)cn23)c1 ZINC000131885131 844611226 /nfs/dbraw/zinc/61/12/26/844611226.db2.gz LKMGDFBGMQMXQC-UHFFFAOYSA-N 1 2 388.500 3.907 20 30 GHEDLO O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000328836521 842405994 /nfs/dbraw/zinc/40/59/94/842405994.db2.gz MWUHEDVPGKOYAO-XDHFQJGLSA-N 1 2 384.524 3.679 20 30 GHEDLO N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(c4[nH]cc[nH+]4)CC3)cn2)cc1 ZINC000610558018 842610892 /nfs/dbraw/zinc/61/08/92/842610892.db2.gz LSXASHAHWBRBLA-UHFFFAOYSA-N 1 2 388.431 3.880 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C ZINC000512182020 842790970 /nfs/dbraw/zinc/79/09/70/842790970.db2.gz CXTOYXHRVABNPC-QGZVFWFLSA-N 1 2 399.491 3.504 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C ZINC000512182020 842790973 /nfs/dbraw/zinc/79/09/73/842790973.db2.gz CXTOYXHRVABNPC-QGZVFWFLSA-N 1 2 399.491 3.504 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)c(OC(F)F)c1 ZINC000610613900 843298819 /nfs/dbraw/zinc/29/88/19/843298819.db2.gz IMXDQQMNLIHKLT-UHFFFAOYSA-N 1 2 391.462 3.774 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)c(OC(F)F)c1 ZINC000610613900 843298823 /nfs/dbraw/zinc/29/88/23/843298823.db2.gz IMXDQQMNLIHKLT-UHFFFAOYSA-N 1 2 391.462 3.774 20 30 GHEDLO N#Cc1cc(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)ccc1Cl ZINC000512298073 843331806 /nfs/dbraw/zinc/33/18/06/843331806.db2.gz CISROYFKYNSTKW-UHFFFAOYSA-N 1 2 393.834 3.689 20 30 GHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCOC[C@H](C4CCC4)C3)n2)C1 ZINC000330270589 843351629 /nfs/dbraw/zinc/35/16/29/843351629.db2.gz ULLCQCOKIGDBES-DOTOQJQBSA-N 1 2 392.569 3.669 20 30 GHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCOC[C@H](C4CCC4)C3)n2)C1 ZINC000330270589 843351638 /nfs/dbraw/zinc/35/16/38/843351638.db2.gz ULLCQCOKIGDBES-DOTOQJQBSA-N 1 2 392.569 3.669 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](Cc3nc(-c4ccccc4F)no3)CC2)cc1 ZINC000481781552 843504262 /nfs/dbraw/zinc/50/42/62/843504262.db2.gz QCXPGYBWFVYZHH-UHFFFAOYSA-N 1 2 378.407 3.791 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCc3c(O)cccc3C2)c1 ZINC000599649180 861446200 /nfs/dbraw/zinc/44/62/00/861446200.db2.gz YQLMMGXKKVYFFX-GOSISDBHSA-N 1 2 377.488 3.703 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCc3c(O)cccc3C2)c1 ZINC000599649180 861446203 /nfs/dbraw/zinc/44/62/03/861446203.db2.gz YQLMMGXKKVYFFX-GOSISDBHSA-N 1 2 377.488 3.703 20 30 GHEDLO C=CC[N@@H+](Cc1ccc2c(c1)c1ccccc1n2CC)[C@@H]1CCS(=O)(=O)C1 ZINC000092361658 843790518 /nfs/dbraw/zinc/79/05/18/843790518.db2.gz JKJJLDBDUOPZOJ-GOSISDBHSA-N 1 2 382.529 3.990 20 30 GHEDLO C=CC[N@H+](Cc1ccc2c(c1)c1ccccc1n2CC)[C@@H]1CCS(=O)(=O)C1 ZINC000092361658 843790524 /nfs/dbraw/zinc/79/05/24/843790524.db2.gz JKJJLDBDUOPZOJ-GOSISDBHSA-N 1 2 382.529 3.990 20 30 GHEDLO CSc1ccc(NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 ZINC000512831132 843827048 /nfs/dbraw/zinc/82/70/48/843827048.db2.gz BFQOFCAZOATOQE-UHFFFAOYSA-N 1 2 399.491 3.901 20 30 GHEDLO CN(CCC#N)c1ccc(C[NH2+][C@@H](c2nccn2C)c2cccc(F)c2)cc1 ZINC000237210176 843919292 /nfs/dbraw/zinc/91/92/92/843919292.db2.gz AWAUQXMBIOKLEU-OAQYLSRUSA-N 1 2 377.467 3.788 20 30 GHEDLO O=C(CN1CCO[C@H](C2CCCCC2)C1)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000329470773 861493723 /nfs/dbraw/zinc/49/37/23/861493723.db2.gz YLZZQPSZTBLSGM-SFHVURJKSA-N 1 2 392.569 3.608 20 30 GHEDLO N#Cc1cc(Cl)ccc1CN1CC[NH+]([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000614166950 844837662 /nfs/dbraw/zinc/83/76/62/844837662.db2.gz PSLZAXMHYMBOHE-FQEVSTJZSA-N 1 2 390.314 3.716 20 30 GHEDLO C=C(CNC(=O)N(Cc1ccccc1)[C@H](C)C[NH+]1CCOCC1)c1ccccc1 ZINC000512673796 844995517 /nfs/dbraw/zinc/99/55/17/844995517.db2.gz SUBADYKHTXASOH-OAQYLSRUSA-N 1 2 393.531 3.632 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCOCC2(CCCC2)C1 ZINC000614222613 845290599 /nfs/dbraw/zinc/29/05/99/845290599.db2.gz LSGAWZKJWLXMOE-KRWDZBQOSA-N 1 2 387.549 3.912 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCOCC2(CCCC2)C1 ZINC000614222613 845290607 /nfs/dbraw/zinc/29/06/07/845290607.db2.gz LSGAWZKJWLXMOE-KRWDZBQOSA-N 1 2 387.549 3.912 20 30 GHEDLO N#CC1(NC(=O)C[NH2+][C@H](c2cccc(Cl)c2)c2ccccn2)CCCCC1 ZINC000152381736 846829341 /nfs/dbraw/zinc/82/93/41/846829341.db2.gz TVORARVOVLMXBE-HXUWFJFHSA-N 1 2 382.895 3.757 20 30 GHEDLO CCn1c(C)cc(C(=O)C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1C ZINC000502189413 847581848 /nfs/dbraw/zinc/58/18/48/847581848.db2.gz VDOCQMJIDYCXGY-UHFFFAOYSA-N 1 2 392.503 3.530 20 30 GHEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000029229022 847611076 /nfs/dbraw/zinc/61/10/76/847611076.db2.gz SZFHRZFUAPDJHS-UHFFFAOYSA-N 1 2 392.381 3.644 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2Cc3ccccc3O[C@H](C)C2)cc1 ZINC000429138700 861814203 /nfs/dbraw/zinc/81/42/03/861814203.db2.gz FSOWXFZKZQKJFM-GOSISDBHSA-N 1 2 393.487 3.615 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2Cc3ccccc3O[C@H](C)C2)cc1 ZINC000429138700 861814220 /nfs/dbraw/zinc/81/42/20/861814220.db2.gz FSOWXFZKZQKJFM-GOSISDBHSA-N 1 2 393.487 3.615 20 30 GHEDLO C[C@](C#N)(NC(=O)C[N@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000511189541 848196507 /nfs/dbraw/zinc/19/65/07/848196507.db2.gz XAQDCLUXJNPLSP-LJQANCHMSA-N 1 2 378.303 3.891 20 30 GHEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000511189541 848196509 /nfs/dbraw/zinc/19/65/09/848196509.db2.gz XAQDCLUXJNPLSP-LJQANCHMSA-N 1 2 378.303 3.891 20 30 GHEDLO C=CCOc1ccc(/C=C\C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1OC ZINC000255555847 848487841 /nfs/dbraw/zinc/48/78/41/848487841.db2.gz JNRGAXNEHNXCPH-KMEOJIRZSA-N 1 2 381.476 3.579 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)c1 ZINC000052130613 849178220 /nfs/dbraw/zinc/17/82/20/849178220.db2.gz MTOMEUIHXVPIFJ-UHFFFAOYSA-N 1 2 397.478 3.991 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)c1 ZINC000052130613 849178225 /nfs/dbraw/zinc/17/82/25/849178225.db2.gz MTOMEUIHXVPIFJ-UHFFFAOYSA-N 1 2 397.478 3.991 20 30 GHEDLO CC(C)c1ccccc1NC(=O)[C@H](C)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000027538162 850313637 /nfs/dbraw/zinc/31/36/37/850313637.db2.gz LAQUSJMEFFKUNC-IBGZPJMESA-N 1 2 390.531 3.826 20 30 GHEDLO N#Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000518926957 850370296 /nfs/dbraw/zinc/37/02/96/850370296.db2.gz ZEZGPAXXBDECAM-OAHLLOKOSA-N 1 2 389.818 3.730 20 30 GHEDLO N#Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000518926957 850370305 /nfs/dbraw/zinc/37/03/05/850370305.db2.gz ZEZGPAXXBDECAM-OAHLLOKOSA-N 1 2 389.818 3.730 20 30 GHEDLO CCCc1c(NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)cnn1-c1cccc(C#N)c1 ZINC000440074466 850745523 /nfs/dbraw/zinc/74/55/23/850745523.db2.gz RLDTTXUMCGGCSV-QHCPKHFHSA-N 1 2 399.498 3.909 20 30 GHEDLO CCCc1c(NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)cnn1-c1cccc(C#N)c1 ZINC000440074466 850745525 /nfs/dbraw/zinc/74/55/25/850745525.db2.gz RLDTTXUMCGGCSV-QHCPKHFHSA-N 1 2 399.498 3.909 20 30 GHEDLO Cc1cccc(N2CC[NH+]([C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)CC2)c1 ZINC000027882193 850750304 /nfs/dbraw/zinc/75/03/04/850750304.db2.gz JHVDXLLKMKTTCD-LJQANCHMSA-N 1 2 394.494 3.592 20 30 GHEDLO Cc1ccccc1O[C@H](C)C(=O)N1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000426622001 851003156 /nfs/dbraw/zinc/00/31/56/851003156.db2.gz ANAWLNZVCUHENN-RBUKOAKNSA-N 1 2 377.488 3.539 20 30 GHEDLO C=CCOc1ccccc1C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000505479827 851494409 /nfs/dbraw/zinc/49/44/09/851494409.db2.gz JGRDJJRFDYLLED-SFHVURJKSA-N 1 2 380.488 3.779 20 30 GHEDLO C[N@H+](Cc1ccc(Br)s1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000028748207 851997801 /nfs/dbraw/zinc/99/78/01/851997801.db2.gz WKRVYLOMSCGRJY-HNNXBMFYSA-N 1 2 390.306 3.620 20 30 GHEDLO C[N@@H+](Cc1ccc(Br)s1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000028748207 851997804 /nfs/dbraw/zinc/99/78/04/851997804.db2.gz WKRVYLOMSCGRJY-HNNXBMFYSA-N 1 2 390.306 3.620 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3cc4ccccc4s3)CC2)cc1 ZINC000550216853 852006122 /nfs/dbraw/zinc/00/61/22/852006122.db2.gz SESBJDBHZWDUIB-UHFFFAOYSA-N 1 2 390.512 3.800 20 30 GHEDLO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@@H]2c2nccn2CC)c(OC)c1 ZINC000549998989 852142868 /nfs/dbraw/zinc/14/28/68/852142868.db2.gz KUKSWIZGMIXXCU-WOJBJXKFSA-N 1 2 399.535 3.607 20 30 GHEDLO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2c2nccn2CC)c(OC)c1 ZINC000549998989 852142880 /nfs/dbraw/zinc/14/28/80/852142880.db2.gz KUKSWIZGMIXXCU-WOJBJXKFSA-N 1 2 399.535 3.607 20 30 GHEDLO CCC[N@H+](CC)Cc1ccc(C(=O)[C@H](C#N)c2nc3c(nccc3C)[nH]2)cc1 ZINC000516329212 852426857 /nfs/dbraw/zinc/42/68/57/852426857.db2.gz PSGUQJDKWLKBOU-SFHVURJKSA-N 1 2 375.476 3.988 20 30 GHEDLO CCC[N@@H+](CC)Cc1ccc(C(=O)[C@H](C#N)c2nc3c(nccc3C)[nH]2)cc1 ZINC000516329212 852426860 /nfs/dbraw/zinc/42/68/60/852426860.db2.gz PSGUQJDKWLKBOU-SFHVURJKSA-N 1 2 375.476 3.988 20 30 GHEDLO CCC[N@H+](CC)Cc1ccc(C(O)=C(C#N)c2nc3[nH]ccc(C)c-3n2)cc1 ZINC000516329212 852426866 /nfs/dbraw/zinc/42/68/66/852426866.db2.gz PSGUQJDKWLKBOU-SFHVURJKSA-N 1 2 375.476 3.988 20 30 GHEDLO CCC[N@@H+](CC)Cc1ccc(C(O)=C(C#N)c2nc3[nH]ccc(C)c-3n2)cc1 ZINC000516329212 852426869 /nfs/dbraw/zinc/42/68/69/852426869.db2.gz PSGUQJDKWLKBOU-SFHVURJKSA-N 1 2 375.476 3.988 20 30 GHEDLO Cc1cc(N(CCC#N)C(=O)C[N@@H+](C)Cc2ccc3c(c2)OCO3)ccc1Cl ZINC000029068568 852483780 /nfs/dbraw/zinc/48/37/80/852483780.db2.gz YTZCRLFYDPQYTH-UHFFFAOYSA-N 1 2 399.878 3.756 20 30 GHEDLO Cc1cc(N(CCC#N)C(=O)C[N@H+](C)Cc2ccc3c(c2)OCO3)ccc1Cl ZINC000029068568 852483782 /nfs/dbraw/zinc/48/37/82/852483782.db2.gz YTZCRLFYDPQYTH-UHFFFAOYSA-N 1 2 399.878 3.756 20 30 GHEDLO N#C[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1cccc(C(F)(F)F)c1 ZINC000505948062 852666791 /nfs/dbraw/zinc/66/67/91/852666791.db2.gz MSBINPLABJIWCT-SFHVURJKSA-N 1 2 384.361 3.945 20 30 GHEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000507225990 852689600 /nfs/dbraw/zinc/68/96/00/852689600.db2.gz AVECWRWVAWPPNQ-VLIAUNLRSA-N 1 2 383.879 3.784 20 30 GHEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000507225990 852689606 /nfs/dbraw/zinc/68/96/06/852689606.db2.gz AVECWRWVAWPPNQ-VLIAUNLRSA-N 1 2 383.879 3.784 20 30 GHEDLO O=C(NC[C@H]1CCc2[nH+]ccn2C1)N1CCC(Oc2ccccc2Cl)CC1 ZINC000329902571 862410101 /nfs/dbraw/zinc/41/01/01/862410101.db2.gz PNLMCFCVOVNNLS-OAHLLOKOSA-N 1 2 388.899 3.556 20 30 GHEDLO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000129400555 853259647 /nfs/dbraw/zinc/25/96/47/853259647.db2.gz FHMRISKNBDNWEP-QFIPXVFZSA-N 1 2 388.471 3.523 20 30 GHEDLO N#Cc1ccc(CN2CC[NH+](Cc3ccccc3OCc3ccccn3)CC2)cc1 ZINC000506085061 853360868 /nfs/dbraw/zinc/36/08/68/853360868.db2.gz HGWRSFVZYNZOML-UHFFFAOYSA-N 1 2 398.510 3.850 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)c(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000517191108 853494997 /nfs/dbraw/zinc/49/49/97/853494997.db2.gz OZTNXVHTBNYRHS-QZTJIDSGSA-N 1 2 375.806 3.665 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)c2ccc(F)c(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000517191108 853494998 /nfs/dbraw/zinc/49/49/98/853494998.db2.gz OZTNXVHTBNYRHS-QZTJIDSGSA-N 1 2 375.806 3.665 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CCc3ccc(-c4ccccc4)[nH]3)CC2)cc1 ZINC000054852259 853562038 /nfs/dbraw/zinc/56/20/38/853562038.db2.gz DCIFHFXSPZJUSS-UHFFFAOYSA-N 1 2 398.510 3.830 20 30 GHEDLO Cc1cc(Br)cn2cc(CCNC(=O)CCCCCC#N)[nH+]c12 ZINC000588164128 854132968 /nfs/dbraw/zinc/13/29/68/854132968.db2.gz QXTGVQSRCPUEBW-UHFFFAOYSA-N 1 2 377.286 3.538 20 30 GHEDLO O=C(N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCc2cc(F)ccc2C1)C1CCCCC1 ZINC000328776174 854536560 /nfs/dbraw/zinc/53/65/60/854536560.db2.gz KXAFDUJJQPXDOT-FQEVSTJZSA-N 1 2 398.482 3.582 20 30 GHEDLO O=C(N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCc2cc(F)ccc2C1)C1CCCCC1 ZINC000328776174 854536566 /nfs/dbraw/zinc/53/65/66/854536566.db2.gz KXAFDUJJQPXDOT-FQEVSTJZSA-N 1 2 398.482 3.582 20 30 GHEDLO O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000328796405 854559930 /nfs/dbraw/zinc/55/99/30/854559930.db2.gz DBVNDOBLYOBGMK-QFIPXVFZSA-N 1 2 391.475 3.590 20 30 GHEDLO O=C(Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328947422 854613190 /nfs/dbraw/zinc/61/31/90/854613190.db2.gz VTBMJDMYMBVAHZ-CQSZACIVSA-N 1 2 393.472 3.742 20 30 GHEDLO Cc1ccc2nc(NC(=O)C[N@H+](C)CCOCc3ccc(C#N)cc3)sc2c1 ZINC000588979017 854624842 /nfs/dbraw/zinc/62/48/42/854624842.db2.gz OVSFRHDINHODRK-UHFFFAOYSA-N 1 2 394.500 3.564 20 30 GHEDLO Cc1ccc2nc(NC(=O)C[N@@H+](C)CCOCc3ccc(C#N)cc3)sc2c1 ZINC000588979017 854624850 /nfs/dbraw/zinc/62/48/50/854624850.db2.gz OVSFRHDINHODRK-UHFFFAOYSA-N 1 2 394.500 3.564 20 30 GHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000330453836 854672142 /nfs/dbraw/zinc/67/21/42/854672142.db2.gz CBIZESNVFSRLIZ-WMZOPIPTSA-N 1 2 378.314 3.640 20 30 GHEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000330453836 854672148 /nfs/dbraw/zinc/67/21/48/854672148.db2.gz CBIZESNVFSRLIZ-WMZOPIPTSA-N 1 2 378.314 3.640 20 30 GHEDLO N#Cc1ccc(CSCC(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cc1 ZINC000107181378 855376356 /nfs/dbraw/zinc/37/63/56/855376356.db2.gz QALBVXOJOCLRAW-UHFFFAOYSA-N 1 2 394.544 3.883 20 30 GHEDLO CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(c2cccnc2C#N)CC1 ZINC000574684466 855557770 /nfs/dbraw/zinc/55/77/70/855557770.db2.gz GTCGNWSRMMMOJM-GOSISDBHSA-N 1 2 385.309 3.989 20 30 GHEDLO N#Cc1ccc(N2CCC[C@@H](Nc3cc(N4CCCCC4)nc[nH+]3)C2)c(F)c1 ZINC000301204979 855639379 /nfs/dbraw/zinc/63/93/79/855639379.db2.gz PFNYKMLBXRHLDA-QGZVFWFLSA-N 1 2 380.471 3.559 20 30 GHEDLO N#Cc1ccc(N2CCC[C@@H](Nc3cc(N4CCCCC4)[nH+]cn3)C2)c(F)c1 ZINC000301204979 855639381 /nfs/dbraw/zinc/63/93/81/855639381.db2.gz PFNYKMLBXRHLDA-QGZVFWFLSA-N 1 2 380.471 3.559 20 30 GHEDLO N#Cc1ccc(C(F)(F)F)nc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000301698968 855743128 /nfs/dbraw/zinc/74/31/28/855743128.db2.gz DMTFXAXHKWMSAD-UHFFFAOYSA-N 1 2 380.801 3.948 20 30 GHEDLO CCc1nnc(N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c(C#N)c1CC ZINC000301879683 855774145 /nfs/dbraw/zinc/77/41/45/855774145.db2.gz JSNJKNXNIHJTSX-PMACEKPBSA-N 1 2 399.926 3.610 20 30 GHEDLO CCc1nnc(N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c(C#N)c1CC ZINC000301879683 855774153 /nfs/dbraw/zinc/77/41/53/855774153.db2.gz JSNJKNXNIHJTSX-PMACEKPBSA-N 1 2 399.926 3.610 20 30 GHEDLO CCc1nnc(N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)c(C#N)c1CC ZINC000301879684 855775048 /nfs/dbraw/zinc/77/50/48/855775048.db2.gz JSNJKNXNIHJTSX-UXHICEINSA-N 1 2 399.926 3.610 20 30 GHEDLO CCc1nnc(N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)c(C#N)c1CC ZINC000301879684 855775054 /nfs/dbraw/zinc/77/50/54/855775054.db2.gz JSNJKNXNIHJTSX-UXHICEINSA-N 1 2 399.926 3.610 20 30 GHEDLO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000465753428 855859531 /nfs/dbraw/zinc/85/95/31/855859531.db2.gz QDQHEHOUNZZYHO-IFMALSPDSA-N 1 2 385.471 3.854 20 30 GHEDLO CCOC1CC[NH+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000108716981 855991479 /nfs/dbraw/zinc/99/14/79/855991479.db2.gz UEBVCHSQBUCSGV-AWEZNQCLSA-N 1 2 375.538 3.717 20 30 GHEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)CSc3ccc(C#N)cc3)CC2)c1 ZINC000171586359 856195830 /nfs/dbraw/zinc/19/58/30/856195830.db2.gz YFMAVRAPCQMQMW-KRWDZBQOSA-N 1 2 395.528 3.564 20 30 GHEDLO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c(F)c1 ZINC000507824661 856460655 /nfs/dbraw/zinc/46/06/55/856460655.db2.gz PMAVFTHHYPQJOD-MRXNPFEDSA-N 1 2 381.451 3.876 20 30 GHEDLO CCc1cccc(C)c1NC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507858510 856582947 /nfs/dbraw/zinc/58/29/47/856582947.db2.gz DQAPQQSZWIILHB-UHFFFAOYSA-N 1 2 377.488 3.911 20 30 GHEDLO CCC[C@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3cnc(C)c(C#N)c3)c2C1 ZINC000427764218 856707319 /nfs/dbraw/zinc/70/73/19/856707319.db2.gz LGKAZHAJWVTVFJ-AWEZNQCLSA-N 1 2 384.505 3.567 20 30 GHEDLO CCC[C@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3cnc(C)c(C#N)c3)c2C1 ZINC000427764218 856707323 /nfs/dbraw/zinc/70/73/23/856707323.db2.gz LGKAZHAJWVTVFJ-AWEZNQCLSA-N 1 2 384.505 3.567 20 30 GHEDLO C=CCCC[NH+]1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000605149601 862834897 /nfs/dbraw/zinc/83/48/97/862834897.db2.gz AGUVMTAQNNWMBZ-UHFFFAOYSA-N 1 2 396.862 3.631 20 30 GHEDLO C[C@@H](c1nc2ccccc2s1)N1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000026889893 856785180 /nfs/dbraw/zinc/78/51/80/856785180.db2.gz DGJAUJGPRIROSM-KRWDZBQOSA-N 1 2 392.528 3.926 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542938396 856974707 /nfs/dbraw/zinc/97/47/07/856974707.db2.gz OIFKNQPKQABTFG-PKOBYXMFSA-N 1 2 388.393 3.933 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542938396 856974710 /nfs/dbraw/zinc/97/47/10/856974710.db2.gz OIFKNQPKQABTFG-PKOBYXMFSA-N 1 2 388.393 3.933 20 30 GHEDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000111770935 857006224 /nfs/dbraw/zinc/00/62/24/857006224.db2.gz NRRRXPAOUHDRGM-UHFFFAOYSA-N 1 2 397.482 3.798 20 30 GHEDLO COCC[N@H+](CC(=O)N(C)[C@@H]1CCCc2ccccc21)Cc1ccc(C#N)cc1 ZINC000063754550 857051029 /nfs/dbraw/zinc/05/10/29/857051029.db2.gz GESMNQIBMWKASI-HSZRJFAPSA-N 1 2 391.515 3.543 20 30 GHEDLO COCC[N@@H+](CC(=O)N(C)[C@@H]1CCCc2ccccc21)Cc1ccc(C#N)cc1 ZINC000063754550 857051037 /nfs/dbraw/zinc/05/10/37/857051037.db2.gz GESMNQIBMWKASI-HSZRJFAPSA-N 1 2 391.515 3.543 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)Oc2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000245664732 857071294 /nfs/dbraw/zinc/07/12/94/857071294.db2.gz IJSGHYCRLDJFLW-UXHICEINSA-N 1 2 399.441 3.555 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)C(C)(C)Oc2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000245664732 857071301 /nfs/dbraw/zinc/07/13/01/857071301.db2.gz IJSGHYCRLDJFLW-UXHICEINSA-N 1 2 399.441 3.555 20 30 GHEDLO N#Cc1c(F)cccc1Oc1ccc(C(=O)NCCCCn2cc[nH+]c2)cc1 ZINC000521650485 858203305 /nfs/dbraw/zinc/20/33/05/858203305.db2.gz IFWUNNOJNAXPEO-UHFFFAOYSA-N 1 2 378.407 3.896 20 30 GHEDLO C[N@H+](CCOCc1ccc(C#N)cc1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000521674618 858232680 /nfs/dbraw/zinc/23/26/80/858232680.db2.gz LJIRLZMDTGHHFX-UHFFFAOYSA-N 1 2 391.393 3.664 20 30 GHEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000521674618 858232683 /nfs/dbraw/zinc/23/26/83/858232683.db2.gz LJIRLZMDTGHHFX-UHFFFAOYSA-N 1 2 391.393 3.664 20 30 GHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCc3ccc(CC#N)cc3)n2)C1 ZINC000521999489 858522861 /nfs/dbraw/zinc/52/28/61/858522861.db2.gz WLHQRJDWLHAGNR-HNNXBMFYSA-N 1 2 383.521 3.763 20 30 GHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCc3ccc(CC#N)cc3)n2)C1 ZINC000521999489 858522866 /nfs/dbraw/zinc/52/28/66/858522866.db2.gz WLHQRJDWLHAGNR-HNNXBMFYSA-N 1 2 383.521 3.763 20 30 GHEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)c1C#N ZINC000595616541 858618231 /nfs/dbraw/zinc/61/82/31/858618231.db2.gz RUGRACJXLXDLLK-KRWDZBQOSA-N 1 2 393.466 3.669 20 30 GHEDLO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CCC[C@@H](CC#N)C2)c1C#N ZINC000595616541 858618235 /nfs/dbraw/zinc/61/82/35/858618235.db2.gz RUGRACJXLXDLLK-KRWDZBQOSA-N 1 2 393.466 3.669 20 30 GHEDLO COc1ccc(-c2csc(NC(=O)[C@H](C)[N@@H+]3CCC[C@H](CC#N)C3)n2)cc1 ZINC000595619505 858619566 /nfs/dbraw/zinc/61/95/66/858619566.db2.gz CAWIPKJIWFWXKY-LSDHHAIUSA-N 1 2 384.505 3.771 20 30 GHEDLO COc1ccc(-c2csc(NC(=O)[C@H](C)[N@H+]3CCC[C@H](CC#N)C3)n2)cc1 ZINC000595619505 858619575 /nfs/dbraw/zinc/61/95/75/858619575.db2.gz CAWIPKJIWFWXKY-LSDHHAIUSA-N 1 2 384.505 3.771 20 30 GHEDLO COC[C@@H]([NH2+]Cc1ccc(Br)cc1C#N)c1cccc(OC)c1 ZINC000595685665 858647184 /nfs/dbraw/zinc/64/71/84/858647184.db2.gz YKAHMVWNWDNXFS-GOSISDBHSA-N 1 2 375.266 3.807 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000613211896 858768085 /nfs/dbraw/zinc/76/80/85/858768085.db2.gz NNCBELCGICEMJM-QGZVFWFLSA-N 1 2 382.533 3.881 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000613211896 858768090 /nfs/dbraw/zinc/76/80/90/858768090.db2.gz NNCBELCGICEMJM-QGZVFWFLSA-N 1 2 382.533 3.881 20 30 GHEDLO Cc1cc(N2CCSC[C@H](C)C2)c(C#N)c(N2CCSC[C@H](C)C2)[nH+]1 ZINC000596205281 858830390 /nfs/dbraw/zinc/83/03/90/858830390.db2.gz HPOYCQIARSMGOU-HUUCEWRRSA-N 1 2 376.595 3.640 20 30 GHEDLO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(O)(Cc3cccc(C)c3)CC2)c1C ZINC000482923912 858980241 /nfs/dbraw/zinc/98/02/41/858980241.db2.gz CJUONGAMAUJQBI-UHFFFAOYSA-N 1 2 380.532 3.852 20 30 GHEDLO N#Cc1cc(Cl)ccc1-n1ccc(NCc2cc(-n3cc[nH+]c3)cs2)n1 ZINC000543239340 858983809 /nfs/dbraw/zinc/98/38/09/858983809.db2.gz QENXQZZZDURBBK-UHFFFAOYSA-N 1 2 380.864 3.679 20 30 GHEDLO C[C@H]1C[N@H+](CCNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)[C@@H](C)CO1 ZINC000596732475 859031482 /nfs/dbraw/zinc/03/14/82/859031482.db2.gz JOTQPGPUSYQVST-IRXDYDNUSA-N 1 2 394.475 3.581 20 30 GHEDLO C[C@H]1C[N@@H+](CCNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)[C@@H](C)CO1 ZINC000596732475 859031489 /nfs/dbraw/zinc/03/14/89/859031489.db2.gz JOTQPGPUSYQVST-IRXDYDNUSA-N 1 2 394.475 3.581 20 30 GHEDLO CC(=[NH+][N-]c1cc[nH+]c2ccccc12)c1ccc(N2CCOCC2)cc1Cl ZINC000764685668 859567251 /nfs/dbraw/zinc/56/72/51/859567251.db2.gz CCDAQXCYSNXUKC-UHFFFAOYSA-N 1 2 380.879 3.983 20 30 GHEDLO CC(=[NH+]Nc1ccnc2ccccc21)c1ccc(N2CCOCC2)cc1Cl ZINC000764685668 859567258 /nfs/dbraw/zinc/56/72/58/859567258.db2.gz CCDAQXCYSNXUKC-UHFFFAOYSA-N 1 2 380.879 3.983 20 30 GHEDLO COC(=O)[C@H](COCc1ccccc1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170369445 881438098 /nfs/dbraw/zinc/43/80/98/881438098.db2.gz VXZNKEAPSMUQMF-MHIUNMELSA-N 1 2 392.499 3.739 20 30 GHEDLO CC(C)(C)OC(=O)Nc1ccsc1C[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000895493561 859580999 /nfs/dbraw/zinc/58/09/99/859580999.db2.gz SLULXZYJXZSUGQ-UHFFFAOYSA-N 1 2 399.520 3.684 20 30 GHEDLO Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2Cc3cccc(C#N)c3C2)c(C)c1 ZINC000593383734 859693863 /nfs/dbraw/zinc/69/38/63/859693863.db2.gz YDTUDFVYKZRPLV-QFIPXVFZSA-N 1 2 385.471 3.838 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+](C)[C@H]2CCc3ccccc3C2)c1=S ZINC000764986249 859715578 /nfs/dbraw/zinc/71/55/78/859715578.db2.gz CFWAJNGBJUKYLC-SFHVURJKSA-N 1 2 392.532 3.504 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+](C)[C@H]2CCc3ccccc3C2)c1=S ZINC000764986249 859715588 /nfs/dbraw/zinc/71/55/88/859715588.db2.gz CFWAJNGBJUKYLC-SFHVURJKSA-N 1 2 392.532 3.504 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C[N@H+](CCc2ccccc2)[C@H]2CCOC2)c1C#N ZINC000611348295 859722744 /nfs/dbraw/zinc/72/27/44/859722744.db2.gz UCEAOFKBOXOIML-QFIPXVFZSA-N 1 2 386.499 3.886 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C[N@@H+](CCc2ccccc2)[C@H]2CCOC2)c1C#N ZINC000611348295 859722747 /nfs/dbraw/zinc/72/27/47/859722747.db2.gz UCEAOFKBOXOIML-QFIPXVFZSA-N 1 2 386.499 3.886 20 30 GHEDLO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000602103839 859777766 /nfs/dbraw/zinc/77/77/66/859777766.db2.gz CZYDYFDDCSDLAY-IKGGRYGDSA-N 1 2 376.382 3.675 20 30 GHEDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611552534 859808767 /nfs/dbraw/zinc/80/87/67/859808767.db2.gz CJZPSOJFNGZDSE-IIBYNOLFSA-N 1 2 382.439 3.986 20 30 GHEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000118396445 859832667 /nfs/dbraw/zinc/83/26/67/859832667.db2.gz IBCLENDDRAYIEZ-OAHLLOKOSA-N 1 2 398.304 3.840 20 30 GHEDLO N#CC[C@@H]1CCCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000597907531 859900532 /nfs/dbraw/zinc/90/05/32/859900532.db2.gz CLEVHJORQOHUNL-MAUKXSAKSA-N 1 2 390.325 3.738 20 30 GHEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000091918202 859958562 /nfs/dbraw/zinc/95/85/62/859958562.db2.gz WDHKZOGGNIPEFD-UHFFFAOYSA-N 1 2 379.414 3.549 20 30 GHEDLO Cc1cc(C(O)=CONC(=[NH2+])c2ccc(Cl)cc2)c(C)n1Cc1ccco1 ZINC000727487469 860114528 /nfs/dbraw/zinc/11/45/28/860114528.db2.gz WVRYSNKYSYGKJB-UHFFFAOYSA-N 1 2 385.851 3.919 20 30 GHEDLO Cc1nc(-c2ccccc2)oc1C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000602780944 860267330 /nfs/dbraw/zinc/26/73/30/860267330.db2.gz DGTKCRSUGLTQOS-UHFFFAOYSA-N 1 2 389.459 3.709 20 30 GHEDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000728083522 860372385 /nfs/dbraw/zinc/37/23/85/860372385.db2.gz AAGVNGVGONACQP-HXUWFJFHSA-N 1 2 392.459 3.771 20 30 GHEDLO C=CCn1c(=S)n(C[N@H+](C[C@@H]2CCOC2)C2CC2)nc1-c1cccs1 ZINC000153022229 881549576 /nfs/dbraw/zinc/54/95/76/881549576.db2.gz MSAUZGLSUZEXOG-AWEZNQCLSA-N 1 2 376.551 3.787 20 30 GHEDLO C=CCn1c(=S)n(C[N@@H+](C[C@@H]2CCOC2)C2CC2)nc1-c1cccs1 ZINC000153022229 881549780 /nfs/dbraw/zinc/54/97/80/881549780.db2.gz MSAUZGLSUZEXOG-AWEZNQCLSA-N 1 2 376.551 3.787 20 30 GHEDLO Cc1sc2nc(C[NH+]3CCC(Oc4ccc(C#N)cc4)CC3)nc(N)c2c1C ZINC000552467220 860535287 /nfs/dbraw/zinc/53/52/87/860535287.db2.gz IFQUSXRGIXWVGU-UHFFFAOYSA-N 1 2 393.516 3.805 20 30 GHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2[nH]c(-c3cc(F)ccc3F)nc2c1 ZINC000730097617 860869598 /nfs/dbraw/zinc/86/95/98/860869598.db2.gz CITBFUVZGQRWDI-IBGZPJMESA-N 1 2 380.398 3.544 20 30 GHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2[nH]c(-c3cc(F)ccc3F)nc2c1 ZINC000730097617 860869602 /nfs/dbraw/zinc/86/96/02/860869602.db2.gz CITBFUVZGQRWDI-IBGZPJMESA-N 1 2 380.398 3.544 20 30 GHEDLO Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000329008635 860944115 /nfs/dbraw/zinc/94/41/15/860944115.db2.gz YXKYOECYGNIBCS-JVMOKEISSA-N 1 2 376.451 3.821 20 30 GHEDLO Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000329008635 860944128 /nfs/dbraw/zinc/94/41/28/860944128.db2.gz YXKYOECYGNIBCS-JVMOKEISSA-N 1 2 376.451 3.821 20 30 GHEDLO CC(C)N1C(=O)N[C@@H]2C[N@@H+](CC(=O)N[C@@H](c3ccccc3)C3CCCC3)CC[C@@H]21 ZINC000329033132 860962953 /nfs/dbraw/zinc/96/29/53/860962953.db2.gz QIHLBDMAUJUHKU-URVUXULASA-N 1 2 398.551 3.955 20 30 GHEDLO CC(C)N1C(=O)N[C@@H]2C[N@H+](CC(=O)N[C@@H](c3ccccc3)C3CCCC3)CC[C@@H]21 ZINC000329033132 860962962 /nfs/dbraw/zinc/96/29/62/860962962.db2.gz QIHLBDMAUJUHKU-URVUXULASA-N 1 2 398.551 3.955 20 30 GHEDLO CC(=O)N1CC[N@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)CC12CCCCC2 ZINC000329068091 860990888 /nfs/dbraw/zinc/99/08/88/860990888.db2.gz XITVUVMQFVLZOY-UHFFFAOYSA-N 1 2 387.568 3.779 20 30 GHEDLO CC(=O)N1CC[N@@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)CC12CCCCC2 ZINC000329068091 860990898 /nfs/dbraw/zinc/99/08/98/860990898.db2.gz XITVUVMQFVLZOY-UHFFFAOYSA-N 1 2 387.568 3.779 20 30 GHEDLO COCc1ccccc1/C=C(\C)C[N@@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000509098699 861034524 /nfs/dbraw/zinc/03/45/24/861034524.db2.gz VCXHVXYWBDKGCO-FJEUJEQTSA-N 1 2 387.483 3.582 20 30 GHEDLO COCc1ccccc1/C=C(\C)C[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000509098699 861034540 /nfs/dbraw/zinc/03/45/40/861034540.db2.gz VCXHVXYWBDKGCO-FJEUJEQTSA-N 1 2 387.483 3.582 20 30 GHEDLO CC[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(OC)cc1 ZINC000603747835 861145026 /nfs/dbraw/zinc/14/50/26/861145026.db2.gz QSGNMLDUGHHROW-JOCHJYFZSA-N 1 2 392.503 3.545 20 30 GHEDLO CO[C@@H]1[C@@H](C)[C@H](NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1(C)C ZINC000329217444 861153979 /nfs/dbraw/zinc/15/39/79/861153979.db2.gz QDECKQDTVKHQTP-PNHOKKKMSA-N 1 2 380.492 3.796 20 30 GHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H](C)Cc1ccc(C#N)cc1 ZINC000593986705 863668183 /nfs/dbraw/zinc/66/81/83/863668183.db2.gz HXOXIHDJCUARDA-LJQANCHMSA-N 1 2 390.531 3.897 20 30 GHEDLO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000606840943 863872119 /nfs/dbraw/zinc/87/21/19/863872119.db2.gz GWTKHCKFBGSXOY-UHFFFAOYSA-N 1 2 378.350 3.569 20 30 GHEDLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)Cc2ccc(OCC#N)cc2)CC1 ZINC000172800018 864001220 /nfs/dbraw/zinc/00/12/20/864001220.db2.gz BVWWWKPPNCIVDF-KRWDZBQOSA-N 1 2 397.906 3.690 20 30 GHEDLO CN(CC[NH+]1CCOCC1)C(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC000455938855 864038986 /nfs/dbraw/zinc/03/89/86/864038986.db2.gz FQSJMUQEWDLCBZ-UHFFFAOYSA-N 1 2 396.516 3.505 20 30 GHEDLO CC(C)COC[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccco1 ZINC000184165625 864157336 /nfs/dbraw/zinc/15/73/36/864157336.db2.gz LIUMNVLTMWKXIW-WOJBJXKFSA-N 1 2 381.476 3.650 20 30 GHEDLO C=CC[C@@H](NC(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1)c1ccncc1 ZINC000734677889 864378147 /nfs/dbraw/zinc/37/81/47/864378147.db2.gz AEMDWIICJCIZFC-OAQYLSRUSA-N 1 2 394.519 3.543 20 30 GHEDLO Cc1nc(C#N)c(N=NCc2c[nH+]c(C)n2-c2ccc(Br)cc2)o1 ZINC000734980727 864559384 /nfs/dbraw/zinc/55/93/84/864559384.db2.gz WGAYHPWJIUBHPI-UHFFFAOYSA-N 1 2 385.225 3.557 20 30 GHEDLO CC(C)COC(=O)N1CCC[N@H+](Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000735310396 864735971 /nfs/dbraw/zinc/73/59/71/864735971.db2.gz ZONJDYCNNKIDAG-UHFFFAOYSA-N 1 2 379.888 3.543 20 30 GHEDLO CC(C)COC(=O)N1CCC[N@@H+](Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000735310396 864735972 /nfs/dbraw/zinc/73/59/72/864735972.db2.gz ZONJDYCNNKIDAG-UHFFFAOYSA-N 1 2 379.888 3.543 20 30 GHEDLO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCO2)c1 ZINC000554868836 865064074 /nfs/dbraw/zinc/06/40/74/865064074.db2.gz NLXOEYQZQWQYIO-GOTSBHOMSA-N 1 2 378.472 3.517 20 30 GHEDLO N#Cc1ccccc1COc1cccc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCO2)c1 ZINC000554868836 865064088 /nfs/dbraw/zinc/06/40/88/865064088.db2.gz NLXOEYQZQWQYIO-GOTSBHOMSA-N 1 2 378.472 3.517 20 30 GHEDLO N#Cc1cccc(C[NH+]2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)c1 ZINC000120994018 881854240 /nfs/dbraw/zinc/85/42/40/881854240.db2.gz RXLKXWZMBISQQH-HXUWFJFHSA-N 1 2 395.304 3.703 20 30 GHEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@@H](Cc2ccccc2)C2CC2)CC1=O ZINC000736729377 865268319 /nfs/dbraw/zinc/26/83/19/865268319.db2.gz KEZGWHRWNWDACI-FQEVSTJZSA-N 1 2 386.499 3.667 20 30 GHEDLO CCc1ccc(C[NH+]2CCN(C(=O)[C@H](C)Cc3ccc(C#N)cc3)CC2)s1 ZINC000594294586 865723642 /nfs/dbraw/zinc/72/36/42/865723642.db2.gz MGFPOFQTXIKURJ-QGZVFWFLSA-N 1 2 381.545 3.705 20 30 GHEDLO C#CCOc1ccc(Br)cc1C[NH2+]Cc1nccn1CC(C)C ZINC000174454361 865810160 /nfs/dbraw/zinc/81/01/60/865810160.db2.gz FAUQNQOXHBTMDM-UHFFFAOYSA-N 1 2 376.298 3.603 20 30 GHEDLO NC(=NOCc1ccc2ccccc2c1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000739899239 865812204 /nfs/dbraw/zinc/81/22/04/865812204.db2.gz GMMCWIURXUGHIK-UHFFFAOYSA-N 1 2 375.472 3.509 20 30 GHEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CC2(c3cccc(F)c3)CC2)CC1=O ZINC000740177867 865851513 /nfs/dbraw/zinc/85/15/13/865851513.db2.gz WZXOVRNMMWHHBQ-UHFFFAOYSA-N 1 2 390.462 3.517 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185481812 866136218 /nfs/dbraw/zinc/13/62/18/866136218.db2.gz DBBRAAQJTNMWBB-UHFFFAOYSA-N 1 2 382.529 3.887 20 30 GHEDLO CCc1ccccc1O[C@@H](C)C(=O)N1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000609915913 866141336 /nfs/dbraw/zinc/14/13/36/866141336.db2.gz WPOCGFAQWJEARZ-OALUTQOASA-N 1 2 391.515 3.793 20 30 GHEDLO CC[N@H+](C)[C@@H](C(=O)O[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000741150682 866291268 /nfs/dbraw/zinc/29/12/68/866291268.db2.gz LAXPMCHMTORJEO-IFXJQAMLSA-N 1 2 399.878 3.775 20 30 GHEDLO CC[N@@H+](C)[C@@H](C(=O)O[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000741150682 866291283 /nfs/dbraw/zinc/29/12/83/866291283.db2.gz LAXPMCHMTORJEO-IFXJQAMLSA-N 1 2 399.878 3.775 20 30 GHEDLO CCOC(=O)CCOc1ccc(C(=O)/C=C\c2c[nH+]c3c(C)cccn23)cc1 ZINC000741466836 866531316 /nfs/dbraw/zinc/53/13/16/866531316.db2.gz AIHVECPNOCJUFM-FLIBITNWSA-N 1 2 378.428 3.871 20 30 GHEDLO N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)c1 ZINC000553294330 867117030 /nfs/dbraw/zinc/11/70/30/867117030.db2.gz LLBMPVJKRQCJRD-UHFFFAOYSA-N 1 2 399.410 3.622 20 30 GHEDLO COc1cc(Br)c(C[NH2+]Cc2cc(C#N)ccc2F)cc1OC ZINC000742382025 867249489 /nfs/dbraw/zinc/24/94/89/867249489.db2.gz YAMPZEASKDFEAJ-UHFFFAOYSA-N 1 2 379.229 3.767 20 30 GHEDLO Cc1sc(NC(=O)C[N@@H+](C)Cc2ccccc2N2CCCC2)c(C#N)c1C ZINC000121515840 867531747 /nfs/dbraw/zinc/53/17/47/867531747.db2.gz NXYJAZYJFHSMIP-UHFFFAOYSA-N 1 2 382.533 3.907 20 30 GHEDLO Cc1sc(NC(=O)C[N@H+](C)Cc2ccccc2N2CCCC2)c(C#N)c1C ZINC000121515840 867531758 /nfs/dbraw/zinc/53/17/58/867531758.db2.gz NXYJAZYJFHSMIP-UHFFFAOYSA-N 1 2 382.533 3.907 20 30 GHEDLO C[S@](=O)C[C@@H]([NH2+]Cc1ccc(Br)cc1C#N)c1ccccc1 ZINC000553878403 868361216 /nfs/dbraw/zinc/36/12/16/868361216.db2.gz DQVCDBDZUMUUNI-VGSWGCGISA-N 1 2 377.307 3.530 20 30 GHEDLO C=CC[C@@H](NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccncc1 ZINC000745828285 869850018 /nfs/dbraw/zinc/85/00/18/869850018.db2.gz RDPXWWJNMFHFFS-UXHICEINSA-N 1 2 375.476 3.716 20 30 GHEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@H]3c3cccc4c3OCCO4)o2)c1 ZINC000525274970 870306072 /nfs/dbraw/zinc/30/60/72/870306072.db2.gz NZPHUPJDQOIYIY-SFHVURJKSA-N 1 2 388.427 3.717 20 30 GHEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H]3c3cccc4c3OCCO4)o2)c1 ZINC000525274970 870306081 /nfs/dbraw/zinc/30/60/81/870306081.db2.gz NZPHUPJDQOIYIY-SFHVURJKSA-N 1 2 388.427 3.717 20 30 GHEDLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)Nc1cccc(CC#N)c1 ZINC000455918811 870835769 /nfs/dbraw/zinc/83/57/69/870835769.db2.gz LLZUNCBLLFQHLX-IBGZPJMESA-N 1 2 392.503 3.507 20 30 GHEDLO C[C@H]1CCc2c(sc3nc(C[N@H+](C)Cc4cccc(C#N)c4)nc(N)c32)C1 ZINC000538978971 871020407 /nfs/dbraw/zinc/02/04/07/871020407.db2.gz ACZNQNLTQNFYMU-ZDUSSCGKSA-N 1 2 377.517 3.902 20 30 GHEDLO C[C@H]1CCc2c(sc3nc(C[N@@H+](C)Cc4cccc(C#N)c4)nc(N)c32)C1 ZINC000538978971 871020429 /nfs/dbraw/zinc/02/04/29/871020429.db2.gz ACZNQNLTQNFYMU-ZDUSSCGKSA-N 1 2 377.517 3.902 20 30 GHEDLO N#Cc1cc(F)ccc1CO[NH+]=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000103136208 871329728 /nfs/dbraw/zinc/32/97/28/871329728.db2.gz SKNVNGQQZDSHFT-UHFFFAOYSA-N 1 2 376.391 3.508 20 30 GHEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)Nc1scc(-c2ccccc2Cl)c1C(=O)OC ZINC001193921191 871394815 /nfs/dbraw/zinc/39/48/15/871394815.db2.gz WJPVIBHLKMZUKO-GFCCVEGCSA-N 1 2 390.892 3.747 20 30 GHEDLO C#C[C@@H](C)[N@H+](C)CC(=O)Nc1scc(-c2ccccc2Cl)c1C(=O)OC ZINC001193921191 871394836 /nfs/dbraw/zinc/39/48/36/871394836.db2.gz WJPVIBHLKMZUKO-GFCCVEGCSA-N 1 2 390.892 3.747 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCC(Oc3ncccc3F)CC2)c(OC(F)F)c1 ZINC000447353996 871462941 /nfs/dbraw/zinc/46/29/41/871462941.db2.gz ICKJIHIZIJKQKS-UHFFFAOYSA-N 1 2 377.366 3.737 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3c[nH]cc3-c3ccccc3F)CC2)cc1 ZINC000491293750 871497900 /nfs/dbraw/zinc/49/79/00/871497900.db2.gz GPJMBASILAWIDR-UHFFFAOYSA-N 1 2 388.446 3.650 20 30 GHEDLO N#CC12CCC(Nc3c4[nH+]ccn4ccc3I)(CC1)CC2 ZINC001169750646 871821814 /nfs/dbraw/zinc/82/18/14/871821814.db2.gz JMNAQDQELXWOLP-UHFFFAOYSA-N 1 2 392.244 3.967 20 30 GHEDLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000775615577 871985714 /nfs/dbraw/zinc/98/57/14/871985714.db2.gz PIIVHJMCPHFSPE-QFBILLFUSA-N 1 2 387.524 3.602 20 30 GHEDLO C[C@H](NC(=O)OC(C)(C)C)[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000775615577 871985718 /nfs/dbraw/zinc/98/57/18/871985718.db2.gz PIIVHJMCPHFSPE-QFBILLFUSA-N 1 2 387.524 3.602 20 30 GHEDLO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000618847725 872066910 /nfs/dbraw/zinc/06/69/10/872066910.db2.gz QYBYXLDARILZPO-NRFANRHFSA-N 1 2 377.492 3.644 20 30 GHEDLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3CCc4cc(C#N)ccc43)cn2c1 ZINC000618893209 872116297 /nfs/dbraw/zinc/11/62/97/872116297.db2.gz YSKPUCGCCMJZIO-LJQANCHMSA-N 1 2 376.485 3.551 20 30 GHEDLO C[C@H](C(=O)c1c[nH]c2ncccc12)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000552191302 872220178 /nfs/dbraw/zinc/22/01/78/872220178.db2.gz NZZDDLAFLYVBFX-CQSZACIVSA-N 1 2 392.434 3.688 20 30 GHEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000540862510 872338072 /nfs/dbraw/zinc/33/80/72/872338072.db2.gz FSHCRFUHYXCJLN-PKOBYXMFSA-N 1 2 385.556 3.621 20 30 GHEDLO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000540862510 872338092 /nfs/dbraw/zinc/33/80/92/872338092.db2.gz FSHCRFUHYXCJLN-PKOBYXMFSA-N 1 2 385.556 3.621 20 30 GHEDLO N#CCC1CCN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000540987978 872682342 /nfs/dbraw/zinc/68/23/42/872682342.db2.gz DVNRBZXTSQDNNW-SFHVURJKSA-N 1 2 392.906 3.779 20 30 GHEDLO N#CCC1CCN(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000540987978 872682352 /nfs/dbraw/zinc/68/23/52/872682352.db2.gz DVNRBZXTSQDNNW-SFHVURJKSA-N 1 2 392.906 3.779 20 30 GHEDLO N#Cc1ccc(CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1Cl ZINC000619756224 872966456 /nfs/dbraw/zinc/96/64/56/872966456.db2.gz IRJNJZGVIUONRB-UHFFFAOYSA-N 1 2 383.883 3.596 20 30 GHEDLO N#Cc1cc(F)ccc1N1CC[NH+](C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC001197041033 873534836 /nfs/dbraw/zinc/53/48/36/873534836.db2.gz GDEQWCWEFQVUME-IBGZPJMESA-N 1 2 394.277 3.860 20 30 GHEDLO N#CCOc1cccc(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)c1 ZINC000768969505 873711898 /nfs/dbraw/zinc/71/18/98/873711898.db2.gz SULVHENTFPBIFB-NHCUHLMSSA-N 1 2 387.443 3.836 20 30 GHEDLO C=CCOC(=O)[C@@H](Cc1ccc(OC(C)(C)C)cc1)[NH2+][C@H]1CCO[C@H](C)C1 ZINC001168101282 873852513 /nfs/dbraw/zinc/85/25/13/873852513.db2.gz IFIBFVVPPXHEJG-IMFGXOCKSA-N 1 2 375.509 3.661 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCC[N@H+](Cc1nc(C#N)cs1)C2 ZINC001197778548 874042012 /nfs/dbraw/zinc/04/20/12/874042012.db2.gz WPTLNDUBHXFBKZ-LJQANCHMSA-N 1 2 376.526 3.628 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCC[N@@H+](Cc1nc(C#N)cs1)C2 ZINC001197778548 874042029 /nfs/dbraw/zinc/04/20/29/874042029.db2.gz WPTLNDUBHXFBKZ-LJQANCHMSA-N 1 2 376.526 3.628 20 30 GHEDLO C#CCOc1ccccc1C[N@H+]1CCC[C@@H]1C(=O)Nc1cc(C)ccc1OC ZINC000769450845 874078861 /nfs/dbraw/zinc/07/88/61/874078861.db2.gz HVTFWQWFLSOZCC-HXUWFJFHSA-N 1 2 378.472 3.619 20 30 GHEDLO C#CCOc1ccccc1C[N@@H+]1CCC[C@@H]1C(=O)Nc1cc(C)ccc1OC ZINC000769450845 874078874 /nfs/dbraw/zinc/07/88/74/874078874.db2.gz HVTFWQWFLSOZCC-HXUWFJFHSA-N 1 2 378.472 3.619 20 30 GHEDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000769789495 874289874 /nfs/dbraw/zinc/28/98/74/874289874.db2.gz RQBMVSPPIBGXNO-UHFFFAOYSA-N 1 2 387.896 3.561 20 30 GHEDLO CC(C)(C)OC(=O)NCc1ccc(C(N)=[NH+]OCc2ccc3c(c2)COC3)cc1 ZINC000769843045 874321073 /nfs/dbraw/zinc/32/10/73/874321073.db2.gz VGNLGHKANYHBRS-UHFFFAOYSA-N 1 2 397.475 3.579 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCc3cc(O)ccc3C2)c1 ZINC001198829064 874632709 /nfs/dbraw/zinc/63/27/09/874632709.db2.gz NNKDRJYGCZWVOE-SFHVURJKSA-N 1 2 377.488 3.703 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCc3cc(O)ccc3C2)c1 ZINC001198829064 874632711 /nfs/dbraw/zinc/63/27/11/874632711.db2.gz NNKDRJYGCZWVOE-SFHVURJKSA-N 1 2 377.488 3.703 20 30 GHEDLO S=C1N=NC(c2cccc(Br)c2)N1N=Cc1cccc2[nH+]ccn21 ZINC000771099563 875038813 /nfs/dbraw/zinc/03/88/13/875038813.db2.gz XLXFODVELLUBNU-UHFFFAOYSA-N 1 2 399.277 3.526 20 30 GHEDLO Cc1cccn2cc(Cc3noc(-c4cnc(C(F)(F)F)c(C#N)c4)n3)[nH+]c12 ZINC000550982856 882960020 /nfs/dbraw/zinc/96/00/20/882960020.db2.gz GYZBOTZIYMTHCI-UHFFFAOYSA-N 1 2 384.321 3.569 20 30 GHEDLO CCCCCCCCCCS(=O)(=O)NCc1c[nH+]cn1C1CCOCC1 ZINC001201837088 875898354 /nfs/dbraw/zinc/89/83/54/875898354.db2.gz MXKBDGUZJZIABT-UHFFFAOYSA-N 1 2 385.574 3.795 20 30 GHEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H]1c1nc2cc(C)ccc2[nH]1 ZINC000451015080 877235472 /nfs/dbraw/zinc/23/54/72/877235472.db2.gz KMLBWSKZTCBUGD-IBGZPJMESA-N 1 2 376.460 3.968 20 30 GHEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H]1c1nc2cc(C)ccc2[nH]1 ZINC000451015080 877235485 /nfs/dbraw/zinc/23/54/85/877235485.db2.gz KMLBWSKZTCBUGD-IBGZPJMESA-N 1 2 376.460 3.968 20 30 GHEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000451015080 877235494 /nfs/dbraw/zinc/23/54/94/877235494.db2.gz KMLBWSKZTCBUGD-IBGZPJMESA-N 1 2 376.460 3.968 20 30 GHEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000451015080 877235509 /nfs/dbraw/zinc/23/55/09/877235509.db2.gz KMLBWSKZTCBUGD-IBGZPJMESA-N 1 2 376.460 3.968 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c1 ZINC000451290547 877729961 /nfs/dbraw/zinc/72/99/61/877729961.db2.gz ZIKBNTCJVQMSHZ-MJGOQNOKSA-N 1 2 389.268 3.621 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c1 ZINC000451290547 877729975 /nfs/dbraw/zinc/72/99/75/877729975.db2.gz ZIKBNTCJVQMSHZ-MJGOQNOKSA-N 1 2 389.268 3.621 20 30 GHEDLO N#Cc1ccc2ncc(C[NH2+][C@H](C(=O)Nc3ccccc3)c3ccccc3)n2c1 ZINC000551803163 877820168 /nfs/dbraw/zinc/82/01/68/877820168.db2.gz KEFDSICKUAFCOJ-QFIPXVFZSA-N 1 2 381.439 3.676 20 30 GHEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2ncc(C#N)cc2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000551815242 877882702 /nfs/dbraw/zinc/88/27/02/877882702.db2.gz SJGPPQHWFUJJJG-MJGOQNOKSA-N 1 2 386.858 3.620 20 30 GHEDLO CC[N@H+]1CC[C@@H](NC(=O)c2ncc(C#N)cc2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000551815242 877882715 /nfs/dbraw/zinc/88/27/15/877882715.db2.gz SJGPPQHWFUJJJG-MJGOQNOKSA-N 1 2 386.858 3.620 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](Cc3nnc(-c4ccccc4)o3)CC2)c(F)c1 ZINC000285437882 912290207 /nfs/dbraw/zinc/29/02/07/912290207.db2.gz HWFKAUIBZJBUGC-UHFFFAOYSA-N 1 2 378.407 3.791 20 30 GHEDLO C#CCOc1cccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000788290978 877998632 /nfs/dbraw/zinc/99/86/32/877998632.db2.gz KROSNZCBUHQCIZ-UXHICEINSA-N 1 2 385.414 3.544 20 30 GHEDLO C#CCOc1cccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000788290978 877998641 /nfs/dbraw/zinc/99/86/41/877998641.db2.gz KROSNZCBUHQCIZ-UXHICEINSA-N 1 2 385.414 3.544 20 30 GHEDLO Cc1cc(Br)cn2c(/C=C3\CCc4cc(C#N)cnc4C3=O)c[nH+]c12 ZINC000788356510 878027225 /nfs/dbraw/zinc/02/72/25/878027225.db2.gz NCMLYTACKFKQIP-MKMNVTDBSA-N 1 2 393.244 3.884 20 30 GHEDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000615836004 878152955 /nfs/dbraw/zinc/15/29/55/878152955.db2.gz FPKGRSMSFORFJO-RVDMUPIBSA-N 1 2 393.447 3.557 20 30 GHEDLO C[C@H](c1nc(-c2cccnc2)no1)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285540967 912332874 /nfs/dbraw/zinc/33/28/74/912332874.db2.gz QNYWKGVLRLRAPZ-CQSZACIVSA-N 1 2 393.422 3.747 20 30 GHEDLO COC(=O)[C@H](c1ccc(C#N)cc1)[NH+]1CCC(CCC(=O)OC(C)(C)C)CC1 ZINC000852487491 878370473 /nfs/dbraw/zinc/37/04/73/878370473.db2.gz RTCBUXMJKCIDJZ-FQEVSTJZSA-N 1 2 386.492 3.606 20 30 GHEDLO CC(C)(C)OC(=O)NCC12CC(C1)C[N@@H+]2Cc1cc(Cl)ccc1OCC#N ZINC000852528111 878403610 /nfs/dbraw/zinc/40/36/10/878403610.db2.gz VFYBKOGTZTWCSL-UHFFFAOYSA-N 1 2 391.899 3.731 20 30 GHEDLO CC(C)(C)OC(=O)NCC12CC(C1)C[N@H+]2Cc1cc(Cl)ccc1OCC#N ZINC000852528111 878403613 /nfs/dbraw/zinc/40/36/13/878403613.db2.gz VFYBKOGTZTWCSL-UHFFFAOYSA-N 1 2 391.899 3.731 20 30 GHEDLO N#Cc1cccc(OCC[N@H+]2CCc3c(F)cc(Br)cc3C2)c1 ZINC001168134016 878790731 /nfs/dbraw/zinc/79/07/31/878790731.db2.gz ICMXKDYZKRMOIR-UHFFFAOYSA-N 1 2 375.241 3.897 20 30 GHEDLO N#Cc1cccc(OCC[N@@H+]2CCc3c(F)cc(Br)cc3C2)c1 ZINC001168134016 878790743 /nfs/dbraw/zinc/79/07/43/878790743.db2.gz ICMXKDYZKRMOIR-UHFFFAOYSA-N 1 2 375.241 3.897 20 30 GHEDLO Cc1cc(Br)cnc1N[NH+]=Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853360147 878985809 /nfs/dbraw/zinc/98/58/09/878985809.db2.gz WBMFSWCDYJLRES-UHFFFAOYSA-N 1 2 389.297 3.560 20 30 GHEDLO Cc1nc2ccc(C[NH+]3CCN(c4oc(C5CC5)nc4C#N)CC3)cc2s1 ZINC000617311067 879586063 /nfs/dbraw/zinc/58/60/63/879586063.db2.gz IDEYMUJODCOODE-UHFFFAOYSA-N 1 2 379.489 3.664 20 30 GHEDLO N#Cc1cccc(CC(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)c1 ZINC000531386494 879759162 /nfs/dbraw/zinc/75/91/62/879759162.db2.gz GKBBVFWNUDAICF-UHFFFAOYSA-N 1 2 388.496 3.754 20 30 GHEDLO N#Cc1cccc(CC(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)c1 ZINC000531386494 879759176 /nfs/dbraw/zinc/75/91/76/879759176.db2.gz GKBBVFWNUDAICF-UHFFFAOYSA-N 1 2 388.496 3.754 20 30 GHEDLO CC(C)CO[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000247014717 879885134 /nfs/dbraw/zinc/88/51/34/879885134.db2.gz DGDZUAUHQQBLMZ-IAGOWNOFSA-N 1 2 375.538 3.624 20 30 GHEDLO CC(C)CO[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000247014717 879885144 /nfs/dbraw/zinc/88/51/44/879885144.db2.gz DGDZUAUHQQBLMZ-IAGOWNOFSA-N 1 2 375.538 3.624 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(Cc3ncc(-c4cccc(F)c4)o3)CC2)cc1 ZINC000475754478 883221307 /nfs/dbraw/zinc/22/13/07/883221307.db2.gz VKNGFRGZHPAGLQ-UHFFFAOYSA-N 1 2 376.435 3.670 20 30 GHEDLO C=CCN(CC=C)C(=O)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000064620746 883774935 /nfs/dbraw/zinc/77/49/35/883774935.db2.gz YFUOEJMGQORKHX-UHFFFAOYSA-N 1 2 377.463 3.900 20 30 GHEDLO C=CCN(CC=C)C(=O)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000064620746 883774941 /nfs/dbraw/zinc/77/49/41/883774941.db2.gz YFUOEJMGQORKHX-UHFFFAOYSA-N 1 2 377.463 3.900 20 30 GHEDLO N#Cc1cccc([C@H]2C[N@H+](CCC(=O)N[C@H]3CCCc4ccccc43)CCO2)c1 ZINC000761758979 884062095 /nfs/dbraw/zinc/06/20/95/884062095.db2.gz UXBDSFFHTYPCPB-XZOQPEGZSA-N 1 2 389.499 3.515 20 30 GHEDLO N#Cc1cccc([C@H]2C[N@@H+](CCC(=O)N[C@H]3CCCc4ccccc43)CCO2)c1 ZINC000761758979 884062107 /nfs/dbraw/zinc/06/21/07/884062107.db2.gz UXBDSFFHTYPCPB-XZOQPEGZSA-N 1 2 389.499 3.515 20 30 GHEDLO C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000805785333 884067448 /nfs/dbraw/zinc/06/74/48/884067448.db2.gz DDVFJBJEPJZMMI-JOCHJYFZSA-N 1 2 378.520 3.720 20 30 GHEDLO C#CCN(Cc1ccccc1)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000806260706 884514327 /nfs/dbraw/zinc/51/43/27/884514327.db2.gz SVGYOETXESJEGG-IBGZPJMESA-N 1 2 377.488 3.747 20 30 GHEDLO COc1ccc(C[NH+]2CCN(c3nc4ccccc4cc3C#N)CC2)cc1F ZINC000747325765 884586416 /nfs/dbraw/zinc/58/64/16/884586416.db2.gz FJPJBPNYGPIJPN-UHFFFAOYSA-N 1 2 376.435 3.576 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)NCCc1ccc2[nH]ccc2c1 ZINC001183841713 912845960 /nfs/dbraw/zinc/84/59/60/912845960.db2.gz OPQRZVRAWVJHAP-QHCPKHFHSA-N 1 2 386.499 3.753 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)NCCc1ccc2[nH]ccc2c1 ZINC001183841713 912845976 /nfs/dbraw/zinc/84/59/76/912845976.db2.gz OPQRZVRAWVJHAP-QHCPKHFHSA-N 1 2 386.499 3.753 20 30 GHEDLO Cc1cc(Br)cn2c(/C=C/C(=O)c3cn4c(n3)CCCC4)c[nH+]c12 ZINC000806563994 884816639 /nfs/dbraw/zinc/81/66/39/884816639.db2.gz HACFDUOJZWCEER-AATRIKPKSA-N 1 2 385.265 3.834 20 30 GHEDLO C=C(CNC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)c1ccccc1 ZINC000806868558 885070176 /nfs/dbraw/zinc/07/01/76/885070176.db2.gz GEEZJXIRWORQOV-UHFFFAOYSA-N 1 2 378.520 3.734 20 30 GHEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)C#Cc2ccccc2)cc1 ZINC000747379015 885326148 /nfs/dbraw/zinc/32/61/48/885326148.db2.gz ANXYSDOEEGCNRG-UHFFFAOYSA-N 1 2 387.483 3.752 20 30 GHEDLO COC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)c1ccc(C)o1 ZINC000542557509 885676702 /nfs/dbraw/zinc/67/67/02/885676702.db2.gz LVGHSKYTFKMXCF-LJQANCHMSA-N 1 2 398.507 3.909 20 30 GHEDLO COC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)c1ccco1 ZINC000542557062 885718470 /nfs/dbraw/zinc/71/84/70/885718470.db2.gz ZTQNEZXFAAIPRL-GOSISDBHSA-N 1 2 384.480 3.601 20 30 GHEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000117628354 886086252 /nfs/dbraw/zinc/08/62/52/886086252.db2.gz HHJUUEUNKXCBCI-UHFFFAOYSA-N 1 2 386.455 3.939 20 30 GHEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)o2)cc1 ZINC000173496083 886855607 /nfs/dbraw/zinc/85/56/07/886855607.db2.gz XAGSPDKSOAGILB-SFHVURJKSA-N 1 2 388.427 3.717 20 30 GHEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)o2)cc1 ZINC000173496083 886855623 /nfs/dbraw/zinc/85/56/23/886855623.db2.gz XAGSPDKSOAGILB-SFHVURJKSA-N 1 2 388.427 3.717 20 30 GHEDLO C#C[C@@H]([NH2+]Cc1ccc(O[C@H](C)C(=O)OC)cc1)c1ccc(Cl)cc1F ZINC000809699276 887680258 /nfs/dbraw/zinc/68/02/58/887680258.db2.gz NEGPMDGWHWZNKY-BFUOFWGJSA-N 1 2 375.827 3.884 20 30 GHEDLO C[C@@H](c1nc2ccccc2s1)N1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000763233770 888376956 /nfs/dbraw/zinc/37/69/56/888376956.db2.gz NYJRXXYUIAPXQI-OXJNMPFZSA-N 1 2 392.528 3.580 20 30 GHEDLO C#C[C@@H](NC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2)c1ccc(F)cc1 ZINC000794895778 888726322 /nfs/dbraw/zinc/72/63/22/888726322.db2.gz NMZIYIWGHRMZRU-HXUWFJFHSA-N 1 2 387.458 3.856 20 30 GHEDLO C#C[C@@H](NC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2)c1ccc(F)cc1 ZINC000794895778 888726334 /nfs/dbraw/zinc/72/63/34/888726334.db2.gz NMZIYIWGHRMZRU-HXUWFJFHSA-N 1 2 387.458 3.856 20 30 GHEDLO COc1cc(C#N)ccc1OCC[N@@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000287361820 913287338 /nfs/dbraw/zinc/28/73/38/913287338.db2.gz LXUBECQTBMTYHW-QGZVFWFLSA-N 1 2 382.464 3.823 20 30 GHEDLO COc1cc(C#N)ccc1OCC[N@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000287361820 913287354 /nfs/dbraw/zinc/28/73/54/913287354.db2.gz LXUBECQTBMTYHW-QGZVFWFLSA-N 1 2 382.464 3.823 20 30 GHEDLO Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@H](C)[NH+]1CCSCC1 ZINC000532762529 888899888 /nfs/dbraw/zinc/89/98/88/888899888.db2.gz FRYUUNXMYBOSCM-KRWDZBQOSA-N 1 2 397.519 3.976 20 30 GHEDLO C[NH+](C)[C@@H](C(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1)c1cccc(Cl)c1 ZINC001132787393 889540330 /nfs/dbraw/zinc/54/03/30/889540330.db2.gz NDCDCROWQSVOQX-HXUWFJFHSA-N 1 2 393.878 3.698 20 30 GHEDLO COc1ccc2c(c1)CCC[N@H+]([C@H](C)C(=O)Nc1sc3c(c1C#N)CCC3)C2 ZINC000533407980 890476437 /nfs/dbraw/zinc/47/64/37/890476437.db2.gz IDMNSQRBGVLBNW-CQSZACIVSA-N 1 2 395.528 3.892 20 30 GHEDLO COc1ccc2c(c1)CCC[N@@H+]([C@H](C)C(=O)Nc1sc3c(c1C#N)CCC3)C2 ZINC000533407980 890476442 /nfs/dbraw/zinc/47/64/42/890476442.db2.gz IDMNSQRBGVLBNW-CQSZACIVSA-N 1 2 395.528 3.892 20 30 GHEDLO COc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)cc1C#N ZINC000533539517 890801937 /nfs/dbraw/zinc/80/19/37/890801937.db2.gz RHCCHGATRCQXQO-LJQANCHMSA-N 1 2 389.455 3.707 20 30 GHEDLO COc1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)cc1C#N ZINC000533539517 890801942 /nfs/dbraw/zinc/80/19/42/890801942.db2.gz RHCCHGATRCQXQO-LJQANCHMSA-N 1 2 389.455 3.707 20 30 GHEDLO C=C(Cl)C[C@H]([NH3+])c1nc(-c2cc(Br)c(O)c(OCC)c2)no1 ZINC000871781241 891009316 /nfs/dbraw/zinc/00/93/16/891009316.db2.gz OBXGWYZQAGGGAB-JTQLQIEISA-N 1 2 388.649 3.746 20 30 GHEDLO Cc1ccc([C@H]2CCC[N@@H+]2CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)cc1 ZINC000917095903 891158610 /nfs/dbraw/zinc/15/86/10/891158610.db2.gz MVNDTTMXSDHBQU-AZUAARDMSA-N 1 2 386.455 3.657 20 30 GHEDLO Cc1ccc([C@H]2CCC[N@H+]2CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)cc1 ZINC000917095903 891158617 /nfs/dbraw/zinc/15/86/17/891158617.db2.gz MVNDTTMXSDHBQU-AZUAARDMSA-N 1 2 386.455 3.657 20 30 GHEDLO CCOc1ccccc1NC(=O)[C@@H](C)O[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000106067273 891245587 /nfs/dbraw/zinc/24/55/87/891245587.db2.gz OXDBUSNMDATHJF-CYBMUJFWSA-N 1 2 375.856 3.597 20 30 GHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1 ZINC000813215161 891369050 /nfs/dbraw/zinc/36/90/50/891369050.db2.gz SZEHFASMNSAXLR-LLVKDONJSA-N 1 2 394.303 3.913 20 30 GHEDLO C=C(Br)CN(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000796192338 913632261 /nfs/dbraw/zinc/63/22/61/913632261.db2.gz ZGOSMYROLFNALT-UHFFFAOYSA-N 1 2 389.091 3.649 20 30 GHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000455780312 893303398 /nfs/dbraw/zinc/30/33/98/893303398.db2.gz HZJLMFLQJDUGNW-UHFFFAOYSA-N 1 2 398.898 3.772 20 30 GHEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000459454490 893556088 /nfs/dbraw/zinc/55/60/88/893556088.db2.gz NGQCIRHXTOSWGC-KRWDZBQOSA-N 1 2 387.237 3.865 20 30 GHEDLO C=CCOc1ccc(/C=C/C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1OC ZINC000126448375 893556340 /nfs/dbraw/zinc/55/63/40/893556340.db2.gz JNRGAXNEHNXCPH-ANKMQFCJSA-N 1 2 381.476 3.579 20 30 GHEDLO CCn1cc([C@@H](O)C[N@H+](Cc2ccccc2)Cc2cc(C#N)cnc2Cl)cn1 ZINC000877471984 893629726 /nfs/dbraw/zinc/62/97/26/893629726.db2.gz GOONMJPJTDPVFB-FQEVSTJZSA-N 1 2 395.894 3.559 20 30 GHEDLO CCn1cc([C@@H](O)C[N@@H+](Cc2ccccc2)Cc2cc(C#N)cnc2Cl)cn1 ZINC000877471984 893629736 /nfs/dbraw/zinc/62/97/36/893629736.db2.gz GOONMJPJTDPVFB-FQEVSTJZSA-N 1 2 395.894 3.559 20 30 GHEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)c2ccccc2Cl)CC1 ZINC000934425099 893632336 /nfs/dbraw/zinc/63/23/36/893632336.db2.gz JCGWICASKOMSPK-QVKFZJNVSA-N 1 2 389.927 3.678 20 30 GHEDLO C=CCOc1c(Br)cc(C[NH+]2CC3(C2)CCOCC3)cc1OC ZINC000459610545 893857280 /nfs/dbraw/zinc/85/72/80/893857280.db2.gz BTDOXTTXJZPUET-UHFFFAOYSA-N 1 2 382.298 3.635 20 30 GHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1nc2c(cc1C#N)C[C@@H](C)CC2 ZINC001135108936 894019045 /nfs/dbraw/zinc/01/90/45/894019045.db2.gz VNUPOQYUSMBVOX-NSHDSACASA-N 1 2 395.413 3.653 20 30 GHEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CC4(CCOCC4)[C@@H]3c3ccccc3)o2)cc1 ZINC000563871033 894281744 /nfs/dbraw/zinc/28/17/44/894281744.db2.gz HBICGHXRQOKJHQ-NRFANRHFSA-N 1 2 386.455 3.962 20 30 GHEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CC4(CCOCC4)[C@@H]3c3ccccc3)o2)cc1 ZINC000563871033 894281754 /nfs/dbraw/zinc/28/17/54/894281754.db2.gz HBICGHXRQOKJHQ-NRFANRHFSA-N 1 2 386.455 3.962 20 30 GHEDLO Cc1cc(C(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)cc(C)c1C#N ZINC001135389223 894516828 /nfs/dbraw/zinc/51/68/28/894516828.db2.gz OJMOPRUSCGKNES-UHFFFAOYSA-N 1 2 397.906 3.665 20 30 GHEDLO CC(=O)c1cc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ccc1C ZINC000564098687 894592216 /nfs/dbraw/zinc/59/22/16/894592216.db2.gz WRIZFPLKMMBJCQ-UHFFFAOYSA-N 1 2 390.487 3.809 20 30 GHEDLO CC(=O)c1cc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)ccc1C ZINC000564098687 894592221 /nfs/dbraw/zinc/59/22/21/894592221.db2.gz WRIZFPLKMMBJCQ-UHFFFAOYSA-N 1 2 390.487 3.809 20 30 GHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)n2)C1 ZINC000564710778 895202245 /nfs/dbraw/zinc/20/22/45/895202245.db2.gz OFQBTGOMNWOHDG-ZOCIIQOWSA-N 1 2 380.517 3.989 20 30 GHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)n2)C1 ZINC000564710778 895202261 /nfs/dbraw/zinc/20/22/61/895202261.db2.gz OFQBTGOMNWOHDG-ZOCIIQOWSA-N 1 2 380.517 3.989 20 30 GHEDLO Cn1cc(C[N@@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)c(-c2ccc(F)cc2)n1 ZINC000897595449 895225130 /nfs/dbraw/zinc/22/51/30/895225130.db2.gz BUWABESCEVKDME-OAQYLSRUSA-N 1 2 376.435 3.671 20 30 GHEDLO Cn1cc(C[N@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)c(-c2ccc(F)cc2)n1 ZINC000897595449 895225142 /nfs/dbraw/zinc/22/51/42/895225142.db2.gz BUWABESCEVKDME-OAQYLSRUSA-N 1 2 376.435 3.671 20 30 GHEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3scc(C)c3C#N)CC2)c1 ZINC000565163013 895432136 /nfs/dbraw/zinc/43/21/36/895432136.db2.gz OMSCGBHELSICHC-HNNXBMFYSA-N 1 2 384.505 3.848 20 30 GHEDLO Brc1ccccc1C=NOCc1cccc(C[NH+]2CCOCC2)c1 ZINC000817378447 895552668 /nfs/dbraw/zinc/55/26/68/895552668.db2.gz XHAUTJBBPOSPNE-UHFFFAOYSA-N 1 2 389.293 3.832 20 30 GHEDLO C=C(Cl)CSc1nc(C)c(CC(=O)NCCCCn2cc[nH+]c2)s1 ZINC000819279577 896563650 /nfs/dbraw/zinc/56/36/50/896563650.db2.gz PDVAXSZNGKCVHA-UHFFFAOYSA-N 1 2 384.958 3.632 20 30 GHEDLO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000888912455 896826376 /nfs/dbraw/zinc/82/63/76/896826376.db2.gz CBVLNBRORJHIPU-BJLQDIEVSA-N 1 2 375.476 3.663 20 30 GHEDLO CC1(C)CC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC[S@@]1=O ZINC000567214127 896975313 /nfs/dbraw/zinc/97/53/13/896975313.db2.gz IZNSROXWDQRHGK-MHZLTWQESA-N 1 2 382.529 3.870 20 30 GHEDLO CC1(C)CC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)CC[S@@]1=O ZINC000567214127 896975323 /nfs/dbraw/zinc/97/53/23/896975323.db2.gz IZNSROXWDQRHGK-MHZLTWQESA-N 1 2 382.529 3.870 20 30 GHEDLO C#C[C@@H](NC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccc(Cl)cc1F ZINC000805779400 898233404 /nfs/dbraw/zinc/23/34/04/898233404.db2.gz WBOKZKGFWRULDX-GOSISDBHSA-N 1 2 391.899 3.742 20 30 GHEDLO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(OC)cc1Br ZINC000570246263 899218368 /nfs/dbraw/zinc/21/83/68/899218368.db2.gz DMISWGHKCOFVNY-UHFFFAOYSA-N 1 2 389.293 3.978 20 30 GHEDLO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(OC)cc1Br ZINC000570246263 899218382 /nfs/dbraw/zinc/21/83/82/899218382.db2.gz DMISWGHKCOFVNY-UHFFFAOYSA-N 1 2 389.293 3.978 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+](Cc2ccccc2)C(C)C)c1=S ZINC000133934546 899283411 /nfs/dbraw/zinc/28/34/11/899283411.db2.gz OAOVAGZQKXSKKH-UHFFFAOYSA-N 1 2 380.521 3.925 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+](Cc2ccccc2)C(C)C)c1=S ZINC000133934546 899283425 /nfs/dbraw/zinc/28/34/25/899283425.db2.gz OAOVAGZQKXSKKH-UHFFFAOYSA-N 1 2 380.521 3.925 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1[C@@H]1CCc2c(Cl)cccc2C1 ZINC001171045790 899375884 /nfs/dbraw/zinc/37/58/84/899375884.db2.gz RQXPDXGZODUSBL-OXQOHEQNSA-N 1 2 386.927 3.611 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1[C@@H]1CCc2c(Cl)cccc2C1 ZINC001171045790 899375896 /nfs/dbraw/zinc/37/58/96/899375896.db2.gz RQXPDXGZODUSBL-OXQOHEQNSA-N 1 2 386.927 3.611 20 30 GHEDLO C=C(C)COc1cc(C[NH+]2CCN(c3snc(C)c3C#N)CC2)ccc1OC ZINC000571131795 899753697 /nfs/dbraw/zinc/75/36/97/899753697.db2.gz IVKSWOVNJHFRAB-UHFFFAOYSA-N 1 2 398.532 3.609 20 30 GHEDLO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)CCO1 ZINC000135289578 900216800 /nfs/dbraw/zinc/21/68/00/900216800.db2.gz XCXULZCLZRTWFD-APWZRJJASA-N 1 2 387.524 3.602 20 30 GHEDLO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CCO1 ZINC000135289578 900216812 /nfs/dbraw/zinc/21/68/12/900216812.db2.gz XCXULZCLZRTWFD-APWZRJJASA-N 1 2 387.524 3.602 20 30 GHEDLO N#Cc1ccc(C[NH2+]Cc2ncc(Br)cc2Br)cc1 ZINC000135293756 900217777 /nfs/dbraw/zinc/21/77/77/900217777.db2.gz NJCXFYRNKLOERX-UHFFFAOYSA-N 1 2 381.071 3.768 20 30 GHEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3cc(F)c(OCC)c(F)c3)C2)CC1 ZINC001144022481 900940962 /nfs/dbraw/zinc/94/09/62/900940962.db2.gz MNWUHIJVVMNZFC-UHFFFAOYSA-N 1 2 380.435 3.584 20 30 GHEDLO C=CCC(C)(C)C(=O)NCc1c[nH+]cn1Cc1cccc(Br)c1 ZINC001144077817 901044707 /nfs/dbraw/zinc/04/47/07/901044707.db2.gz MBXPTCVIRHZWIW-UHFFFAOYSA-N 1 2 376.298 3.912 20 30 GHEDLO C=CCOc1c(Br)cc(C[N@H+](C)Cc2cnccn2)cc1OCC ZINC000092591025 901501120 /nfs/dbraw/zinc/50/11/20/901501120.db2.gz XVIQLCUIQJGZDR-UHFFFAOYSA-N 1 2 392.297 3.835 20 30 GHEDLO C=CCOc1c(Br)cc(C[N@@H+](C)Cc2cnccn2)cc1OCC ZINC000092591025 901501123 /nfs/dbraw/zinc/50/11/23/901501123.db2.gz XVIQLCUIQJGZDR-UHFFFAOYSA-N 1 2 392.297 3.835 20 30 GHEDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)N(CCC#N)Cc2ccco2)C[C@H](C)O1 ZINC000122112669 901727741 /nfs/dbraw/zinc/72/77/41/901727741.db2.gz RBUABLIKHZTSIR-ROUUACIJSA-N 1 2 396.491 3.837 20 30 GHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3c(F)cc(C#N)cc3F)n2)C1 ZINC000124292478 902050739 /nfs/dbraw/zinc/05/07/39/902050739.db2.gz RANNRGCCYMPGMC-NSHDSACASA-N 1 2 376.432 3.777 20 30 GHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3c(F)cc(C#N)cc3F)n2)C1 ZINC000124292478 902050747 /nfs/dbraw/zinc/05/07/47/902050747.db2.gz RANNRGCCYMPGMC-NSHDSACASA-N 1 2 376.432 3.777 20 30 GHEDLO N#Cc1cc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)ccc1OC(F)(F)F ZINC000282990888 902425277 /nfs/dbraw/zinc/42/52/77/902425277.db2.gz LGTVAMQYPBRHAK-UHFFFAOYSA-N 1 2 379.342 3.591 20 30 GHEDLO C=CCOc1ccccc1CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000600845122 902998489 /nfs/dbraw/zinc/99/84/89/902998489.db2.gz APSNMDBHAVBJDY-UHFFFAOYSA-N 1 2 380.492 3.636 20 30 GHEDLO C=CCCn1cc(C[N@H+](Cc2ccccc2)C[C@H](O)c2cccc(C)c2)nn1 ZINC000846817949 903238863 /nfs/dbraw/zinc/23/88/63/903238863.db2.gz HMNNNVVRCHEQSB-QHCPKHFHSA-N 1 2 376.504 3.898 20 30 GHEDLO C=CCCn1cc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2cccc(C)c2)nn1 ZINC000846817949 903238873 /nfs/dbraw/zinc/23/88/73/903238873.db2.gz HMNNNVVRCHEQSB-QHCPKHFHSA-N 1 2 376.504 3.898 20 30 GHEDLO CC(C)(CCC#N)c1ccc(C(=O)N2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC001148906362 904243880 /nfs/dbraw/zinc/24/38/80/904243880.db2.gz OBMFKWZXNSJULS-UHFFFAOYSA-N 1 2 390.531 3.663 20 30 GHEDLO CC(=[NH+]Nc1ccccc1S(N)(=O)=O)c1ccc(N2CCCCCC2)cc1 ZINC000773114576 904446723 /nfs/dbraw/zinc/44/67/23/904446723.db2.gz ZFTGHIZPKQGUIT-UHFFFAOYSA-N 1 2 386.521 3.551 20 30 GHEDLO Cc1c(C#N)c2[nH]c3ccccc3n2c(=O)c1C=[NH+]N[C@@H]1CCCCC1(C)C ZINC000773126530 904451053 /nfs/dbraw/zinc/45/10/53/904451053.db2.gz UCVXNGKDUSQKEE-LJQANCHMSA-N 1 2 375.476 3.853 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)c3c4c(nc5ccccc53)CCC4)CC2)cc1 ZINC000036709415 904510149 /nfs/dbraw/zinc/51/01/49/904510149.db2.gz VWZSJZTUXAXKPJ-UHFFFAOYSA-N 1 2 396.494 3.553 20 30 GHEDLO O=C(C#Cc1ccc(C(F)(F)F)cc1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000188888081 905002088 /nfs/dbraw/zinc/00/20/88/905002088.db2.gz DALPNVXIWAPNKB-UHFFFAOYSA-N 1 2 387.405 3.759 20 30 GHEDLO N#CCC[N@H+](Cc1ccccn1)CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000189583024 905185067 /nfs/dbraw/zinc/18/50/67/905185067.db2.gz ZNVCODSTDGKKLJ-UHFFFAOYSA-N 1 2 392.503 3.846 20 30 GHEDLO N#CCC[N@@H+](Cc1ccccn1)CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000189583024 905185074 /nfs/dbraw/zinc/18/50/74/905185074.db2.gz ZNVCODSTDGKKLJ-UHFFFAOYSA-N 1 2 392.503 3.846 20 30 GHEDLO COC(=O)C1(c2ccc(Br)cc2)CCC([NH2+]C(C)(C)C#N)CC1 ZINC001172141147 905347809 /nfs/dbraw/zinc/34/78/09/905347809.db2.gz XYVPYVIYMIXNJP-UHFFFAOYSA-N 1 2 379.298 3.694 20 30 GHEDLO CCCCCCC[C@H](CCC)[N@H+]1Cc2c(n(C)nc2C(=O)N2CCOCC2)C1 ZINC001172511117 905604278 /nfs/dbraw/zinc/60/42/78/905604278.db2.gz NFMQYSVZPKRQMY-SFHVURJKSA-N 1 2 390.572 3.737 20 30 GHEDLO CCCCCCC[C@H](CCC)[N@@H+]1Cc2c(n(C)nc2C(=O)N2CCOCC2)C1 ZINC001172511117 905604286 /nfs/dbraw/zinc/60/42/86/905604286.db2.gz NFMQYSVZPKRQMY-SFHVURJKSA-N 1 2 390.572 3.737 20 30 GHEDLO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](F)C1 ZINC001173080592 906179810 /nfs/dbraw/zinc/17/98/10/906179810.db2.gz ZHRCROLRDZZVRM-BPNCWPANSA-N 1 2 389.311 3.853 20 30 GHEDLO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](F)C1 ZINC001173080592 906179819 /nfs/dbraw/zinc/17/98/19/906179819.db2.gz ZHRCROLRDZZVRM-BPNCWPANSA-N 1 2 389.311 3.853 20 30 GHEDLO CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3ccccc3CC#N)c[nH+]2)CC1 ZINC001174454268 907061592 /nfs/dbraw/zinc/06/15/92/907061592.db2.gz BJFNHZZBMIGIEL-UHFFFAOYSA-N 1 2 393.491 3.948 20 30 GHEDLO COC(=O)[C@]1(C)C[C@@H](OC)C[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC001175250153 907452816 /nfs/dbraw/zinc/45/28/16/907452816.db2.gz NZZMRIZBPNYSAR-GGAORHGYSA-N 1 2 392.499 3.539 20 30 GHEDLO COC(=O)[C@]1(C)C[C@@H](OC)C[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC001175250153 907452821 /nfs/dbraw/zinc/45/28/21/907452821.db2.gz NZZMRIZBPNYSAR-GGAORHGYSA-N 1 2 392.499 3.539 20 30 GHEDLO N#Cc1ccc(Nc2ccc(N3CCCC3)[nH+]c2)c(I)c1 ZINC001175349706 907511603 /nfs/dbraw/zinc/51/16/03/907511603.db2.gz DACJURMRUDZYOG-UHFFFAOYSA-N 1 2 390.228 3.902 20 30 GHEDLO COc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000193200785 908173396 /nfs/dbraw/zinc/17/33/96/908173396.db2.gz VMSNLNQWGZPDQX-UHFFFAOYSA-N 1 2 398.762 3.533 20 30 GHEDLO O=c1c2ccccc2ncn1C1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC001176995317 908354129 /nfs/dbraw/zinc/35/41/29/908354129.db2.gz JRPGVEJWAVBFBK-UHFFFAOYSA-N 1 2 377.875 3.739 20 30 GHEDLO N#CC(CC[N@H+](C1CC1)[C@H]1CCS(=O)(=O)C1)(c1ccccc1)c1ccccc1 ZINC000193071303 908847805 /nfs/dbraw/zinc/84/78/05/908847805.db2.gz RFFHBWQOZUQMHK-QFIPXVFZSA-N 1 2 394.540 3.538 20 30 GHEDLO N#CC(CC[N@@H+](C1CC1)[C@H]1CCS(=O)(=O)C1)(c1ccccc1)c1ccccc1 ZINC000193071303 908847828 /nfs/dbraw/zinc/84/78/28/908847828.db2.gz RFFHBWQOZUQMHK-QFIPXVFZSA-N 1 2 394.540 3.538 20 30 GHEDLO CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)C1CCN(c2ccccc2C#N)CC1 ZINC001180508510 910218393 /nfs/dbraw/zinc/21/83/93/910218393.db2.gz ZDHJVFCHSBTIKF-UHFFFAOYSA-N 1 2 399.498 3.619 20 30 GHEDLO CCc1ccc([C@@H](C#N)N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)cc1 ZINC001274562895 910813705 /nfs/dbraw/zinc/81/37/05/910813705.db2.gz QIYPHNGCRLAMNK-HXUWFJFHSA-N 1 2 389.415 3.680 20 30 GHEDLO C#CC[C@@H]([NH2+]Cc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1)c1ccccc1 ZINC000271680164 911012009 /nfs/dbraw/zinc/01/20/09/911012009.db2.gz IJEJONDGNMKQBB-QGZVFWFLSA-N 1 2 393.443 3.617 20 30 GHEDLO COC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](Cc1ccc(O[C@@H](C)C#N)cc1)CC3 ZINC000092261233 911459993 /nfs/dbraw/zinc/45/99/93/911459993.db2.gz CYUSFJBYCINOGB-HNNXBMFYSA-N 1 2 389.455 3.804 20 30 GHEDLO COC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](Cc1ccc(O[C@@H](C)C#N)cc1)CC3 ZINC000092261233 911460002 /nfs/dbraw/zinc/46/00/02/911460002.db2.gz CYUSFJBYCINOGB-HNNXBMFYSA-N 1 2 389.455 3.804 20 30 GHEDLO C[NH+]1CCN(c2ccc(N[C@@H]3CCC[C@H](C#N)C3)cc2Br)CC1 ZINC000774378057 911685169 /nfs/dbraw/zinc/68/51/69/911685169.db2.gz XJHLANHVAMQYHI-LSDHHAIUSA-N 1 2 377.330 3.695 20 30 GHEDLO C[C@H](c1ccccc1)[N@@H+]1CCC(F)(F)C[C@H]1C(=O)N/C=C/C(=O)C(F)(F)F ZINC001187035564 915008385 /nfs/dbraw/zinc/00/83/85/915008385.db2.gz AQNWGMOFGKKRTK-ODAKQPGBSA-N 1 2 390.352 3.609 20 30 GHEDLO C[C@H](c1ccccc1)[N@H+]1CCC(F)(F)C[C@H]1C(=O)N/C=C/C(=O)C(F)(F)F ZINC001187035564 915008410 /nfs/dbraw/zinc/00/84/10/915008410.db2.gz AQNWGMOFGKKRTK-ODAKQPGBSA-N 1 2 390.352 3.609 20 30 GHEDLO C=C(C)c1cccc(C(C)(C)NC(=O)N2CC[NH+](CCc3ccccn3)CC2)c1 ZINC001189264104 916524058 /nfs/dbraw/zinc/52/40/58/916524058.db2.gz SOENRPLLVIFOJV-UHFFFAOYSA-N 1 2 392.547 3.920 20 30 GHEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC001190759346 917524204 /nfs/dbraw/zinc/52/42/04/917524204.db2.gz BDUKQUPLHXVXRQ-UHFFFAOYSA-N 1 2 386.886 3.934 20 30 GHEDLO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2sc(N3CCCCC3)nc2Cl)C1=O ZINC001275819113 917890235 /nfs/dbraw/zinc/89/02/35/917890235.db2.gz LBMLFLSLMYGWQY-IBGZPJMESA-N 1 2 394.972 3.540 20 30 GHEDLO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2sc(N3CCCCC3)nc2Cl)C1=O ZINC001275819113 917890251 /nfs/dbraw/zinc/89/02/51/917890251.db2.gz LBMLFLSLMYGWQY-IBGZPJMESA-N 1 2 394.972 3.540 20 30 GHEDLO CC(C)Oc1ccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)c(C(F)(F)F)c1 ZINC000115599191 919456778 /nfs/dbraw/zinc/45/67/78/919456778.db2.gz XNCJJNHLTDHSIA-SFHVURJKSA-N 1 2 391.393 3.680 20 30 GHEDLO N#Cc1cccc(NC(=O)NC2CC[NH+](Cc3cc(F)c(F)c(F)c3)CC2)c1 ZINC001202798929 919584922 /nfs/dbraw/zinc/58/49/22/919584922.db2.gz GJWPFIXGPSMGDM-UHFFFAOYSA-N 1 2 388.393 3.762 20 30 GHEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cccc(Cl)c1Br ZINC001275976230 920601599 /nfs/dbraw/zinc/60/15/99/920601599.db2.gz AWJYRYGXRNMOAR-GOSISDBHSA-N 1 2 395.728 3.693 20 30 GHEDLO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(Cl)c1Br ZINC001275976230 920601607 /nfs/dbraw/zinc/60/16/07/920601607.db2.gz AWJYRYGXRNMOAR-GOSISDBHSA-N 1 2 395.728 3.693 20 30 GHEDLO CCC[C@@H](NC(=O)C[NH+]1CCC(C#N)(c2ccccn2)CC1)c1ccccc1 ZINC000367066849 921902888 /nfs/dbraw/zinc/90/28/88/921902888.db2.gz OLZJMSIFCNCGEQ-HXUWFJFHSA-N 1 2 376.504 3.596 20 30 GHEDLO N#CCCCNC(=O)[C@@H]1CC12CC[NH+](Cc1c(F)ccc(Cl)c1F)CC2 ZINC001276052594 924927384 /nfs/dbraw/zinc/92/73/84/924927384.db2.gz DHHZKBSFUDQBGO-AWEZNQCLSA-N 1 2 381.854 3.640 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)CC2)cc1 ZINC000411126014 926089533 /nfs/dbraw/zinc/08/95/33/926089533.db2.gz NEDKCFJJROHEHE-LEWJYISDSA-N 1 2 379.891 3.660 20 30 GHEDLO N#Cc1ccc(N[NH+]=Cc2ccc(N3CCOCC3)s2)cc1C(F)(F)F ZINC000726427441 926659037 /nfs/dbraw/zinc/65/90/37/926659037.db2.gz XJRHIUWWLGMEOF-UHFFFAOYSA-N 1 2 380.395 3.921 20 30 GHEDLO C=CC[C@H](Cc1ccccc1)NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000413059635 928153512 /nfs/dbraw/zinc/15/35/12/928153512.db2.gz KXQFEORWIOVBAD-HSZRJFAPSA-N 1 2 393.531 3.505 20 30 GHEDLO N#Cc1ccc([C@H](O)C[NH+]2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000751581088 928259563 /nfs/dbraw/zinc/25/95/63/928259563.db2.gz ORJXXCQPRWHCEV-RUZDIDTESA-N 1 2 395.506 3.979 20 30 GHEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000375402664 928262292 /nfs/dbraw/zinc/26/22/92/928262292.db2.gz KETZMMAKLHNAOC-QFIPXVFZSA-N 1 2 393.512 3.762 20 30 GHEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000375402664 928262304 /nfs/dbraw/zinc/26/23/04/928262304.db2.gz KETZMMAKLHNAOC-QFIPXVFZSA-N 1 2 393.512 3.762 20 30 GHEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000375402659 928262740 /nfs/dbraw/zinc/26/27/40/928262740.db2.gz KETZMMAKLHNAOC-JOCHJYFZSA-N 1 2 393.512 3.762 20 30 GHEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000375402659 928262758 /nfs/dbraw/zinc/26/27/58/928262758.db2.gz KETZMMAKLHNAOC-JOCHJYFZSA-N 1 2 393.512 3.762 20 30 GHEDLO CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc(Cl)c(C#N)c3)CC2)cc1 ZINC000544591327 929316880 /nfs/dbraw/zinc/31/68/80/929316880.db2.gz YXXDGLQMDAPOET-UHFFFAOYSA-N 1 2 383.879 3.568 20 30 GHEDLO C[C@H](O[NH+]=C(N)c1ccc2c(c1)CCO2)c1nc(-c2ccc(Cl)cc2)no1 ZINC000753828947 929553963 /nfs/dbraw/zinc/55/39/63/929553963.db2.gz ASGMETNLLDMGJI-NSHDSACASA-N 1 2 384.823 3.723 20 30 GHEDLO Fc1ccccc1-c1nc2c(s1)C(=NNC1=[NH+][C@@H]3CCCC[C@@H]3N1)CCC2 ZINC000753940190 929603296 /nfs/dbraw/zinc/60/32/96/929603296.db2.gz RYYBMVKHMQXXDC-GASCZTMLSA-N 1 2 383.496 3.850 20 30 GHEDLO COc1ccccc1C1N=NC(=S)N1N=C1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000757561004 929730299 /nfs/dbraw/zinc/73/02/99/929730299.db2.gz RQUKRYZZIURKER-OAHLLOKOSA-N 1 2 393.516 3.741 20 30 GHEDLO COc1ccccc1C1N=NC(=S)N1N=C1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000757561004 929730305 /nfs/dbraw/zinc/73/03/05/929730305.db2.gz RQUKRYZZIURKER-OAHLLOKOSA-N 1 2 393.516 3.741 20 30 GHEDLO CC[C@@H]1C[N@H+](CCNC(=O)c2ccccc2Sc2ccccc2C#N)CCO1 ZINC000470462872 930635553 /nfs/dbraw/zinc/63/55/53/930635553.db2.gz BQHMTSGPENDRLP-GOSISDBHSA-N 1 2 395.528 3.550 20 30 GHEDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2ccccc2Sc2ccccc2C#N)CCO1 ZINC000470462872 930635557 /nfs/dbraw/zinc/63/55/57/930635557.db2.gz BQHMTSGPENDRLP-GOSISDBHSA-N 1 2 395.528 3.550 20 30 GHEDLO CCCC[C@H](ON=C(C)C)C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000781091243 930697040 /nfs/dbraw/zinc/69/70/40/930697040.db2.gz SYOUSXZZEUERHD-FQEVSTJZSA-N 1 2 375.513 3.737 20 30 GHEDLO Cc1cccc(Cl)c1NC(=O)CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782949742 931372855 /nfs/dbraw/zinc/37/28/55/931372855.db2.gz YEUXYOASBXHNTA-UHFFFAOYSA-N 1 2 396.672 3.687 20 30 GHEDLO C=C1CCC(CNC(=O)N2CCC3(C[C@@H]3[N@H+](C)Cc3nccs3)CC2)CC1 ZINC000926539806 932221950 /nfs/dbraw/zinc/22/19/50/932221950.db2.gz KFRVWDDMZPQFCE-SFHVURJKSA-N 1 2 388.581 3.885 20 30 GHEDLO C=C1CCC(CNC(=O)N2CCC3(C[C@@H]3[N@@H+](C)Cc3nccs3)CC2)CC1 ZINC000926539806 932221953 /nfs/dbraw/zinc/22/19/53/932221953.db2.gz KFRVWDDMZPQFCE-SFHVURJKSA-N 1 2 388.581 3.885 20 30 GHEDLO COc1ccc2cc(C[NH2+][C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)ccc2c1 ZINC000798274583 932587435 /nfs/dbraw/zinc/58/74/35/932587435.db2.gz GXRZTXUQTJCBNJ-ICSRJNTNSA-N 1 2 381.476 3.697 20 30 GHEDLO Cc1cc(Br)ccc1C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000798275173 932589749 /nfs/dbraw/zinc/58/97/49/932589749.db2.gz OBGXJAFTDMTTTI-ZBFHGGJFSA-N 1 2 394.313 3.606 20 30 GHEDLO C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000559364448 932629958 /nfs/dbraw/zinc/62/99/58/932629958.db2.gz IQBFEVVDXULZNM-UHFFFAOYSA-N 1 2 390.487 3.838 20 30 GHEDLO N#Cc1cccc(C2(NC(=O)Nc3nc(C[NH+]4CCCCC4)cs3)CC2)c1 ZINC000559964823 932984151 /nfs/dbraw/zinc/98/41/51/932984151.db2.gz IIIGLDYSRJFQSL-UHFFFAOYSA-N 1 2 381.505 3.811 20 30 GHEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000929607849 933538859 /nfs/dbraw/zinc/53/88/59/933538859.db2.gz CSFZARZITMPYJN-GCJKJVERSA-N 1 2 392.503 3.526 20 30 GHEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000561866655 934518236 /nfs/dbraw/zinc/51/82/36/934518236.db2.gz ZDUDGJAKJNHBGQ-HNNXBMFYSA-N 1 2 396.292 3.743 20 30 GHEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000561866655 934518245 /nfs/dbraw/zinc/51/82/45/934518245.db2.gz ZDUDGJAKJNHBGQ-HNNXBMFYSA-N 1 2 396.292 3.743 20 30 GHEDLO CCn1c(-c2cccc(CC#N)c2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001121812185 934770603 /nfs/dbraw/zinc/77/06/03/934770603.db2.gz AGKJHTIEGVBXEX-UHFFFAOYSA-N 1 2 387.491 3.507 20 30 GHEDLO C[C@@H](c1nnc(-c2ccccc2F)s1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000562363111 934837149 /nfs/dbraw/zinc/83/71/49/934837149.db2.gz BITCAMBQYQIPEL-ZFWWWQNUSA-N 1 2 395.463 3.825 20 30 GHEDLO C[C@@H](c1nnc(-c2ccccc2F)s1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000562363111 934837155 /nfs/dbraw/zinc/83/71/55/934837155.db2.gz BITCAMBQYQIPEL-ZFWWWQNUSA-N 1 2 395.463 3.825 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1C[C@H]2COC[C@@]2(C)C1 ZINC001122440972 934870204 /nfs/dbraw/zinc/87/02/04/934870204.db2.gz NELGPKXSIFQKPQ-GREBRCKQSA-N 1 2 395.551 3.520 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1C[C@H]2COC[C@@]2(C)C1 ZINC001122440972 934870208 /nfs/dbraw/zinc/87/02/08/934870208.db2.gz NELGPKXSIFQKPQ-GREBRCKQSA-N 1 2 395.551 3.520 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC[C@H](C#N)C1 ZINC001122442186 934870901 /nfs/dbraw/zinc/87/09/01/934870901.db2.gz YUIKCECJPXFPBG-AZUAARDMSA-N 1 2 378.524 3.787 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC[C@H](C#N)C1 ZINC001122442186 934870908 /nfs/dbraw/zinc/87/09/08/934870908.db2.gz YUIKCECJPXFPBG-AZUAARDMSA-N 1 2 378.524 3.787 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC001122529496 934890774 /nfs/dbraw/zinc/89/07/74/934890774.db2.gz DWTFLQLPVJKXBW-MSOLQXFVSA-N 1 2 395.507 3.691 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC001122529496 934890780 /nfs/dbraw/zinc/89/07/80/934890780.db2.gz DWTFLQLPVJKXBW-MSOLQXFVSA-N 1 2 395.507 3.691 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCCO[C@H](c2ccccc2)C1 ZINC001122623401 934924457 /nfs/dbraw/zinc/92/44/57/934924457.db2.gz SRZSNJWZVVPZNC-SFTDATJTSA-N 1 2 395.551 3.979 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCCO[C@H](c2ccccc2)C1 ZINC001122623401 934924458 /nfs/dbraw/zinc/92/44/58/934924458.db2.gz SRZSNJWZVVPZNC-SFTDATJTSA-N 1 2 395.551 3.979 20 30 GHEDLO CC(C)Cn1c(-c2coc(C#N)c2)nnc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC001122777214 934981437 /nfs/dbraw/zinc/98/14/37/934981437.db2.gz GTZKESWLSZRYMH-UHFFFAOYSA-N 1 2 391.479 3.542 20 30 GHEDLO C=C1CC(C)(C(=O)NCc2cc[nH+]c(N3CCN(c4ccc(F)cc4)CC3)c2)C1 ZINC001626013624 1014773809 /nfs/dbraw/zinc/77/38/09/1014773809.db2.gz WKGKFLLUTOQGES-UHFFFAOYSA-N 1 2 394.494 3.520 20 30 GHEDLO C=CCCN(C)C(=O)c1cccnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000468194792 1015392516 /nfs/dbraw/zinc/39/25/16/1015392516.db2.gz AFLDMJLJADXJFU-UHFFFAOYSA-N 1 2 398.938 3.705 20 30 GHEDLO N#Cc1cc(NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)ccc1OCC(F)(F)F ZINC000468436784 1015706019 /nfs/dbraw/zinc/70/60/19/1015706019.db2.gz QXVQIVQYISJSRD-KRWDZBQOSA-N 1 2 389.377 3.712 20 30 GHEDLO N#Cc1cc(NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)ccc1OCC(F)(F)F ZINC000468436784 1015706025 /nfs/dbraw/zinc/70/60/25/1015706025.db2.gz QXVQIVQYISJSRD-KRWDZBQOSA-N 1 2 389.377 3.712 20 30 GHEDLO CCOCCOc1ccc(Br)cc1CNc1cc(CC#N)cc[nH+]1 ZINC000547341069 1016897960 /nfs/dbraw/zinc/89/79/60/1016897960.db2.gz HHFFEICDSRHAIK-UHFFFAOYSA-N 1 2 390.281 3.938 20 30 GHEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C[C@@H]1C(F)(F)F ZINC001204373118 1032812774 /nfs/dbraw/zinc/81/27/74/1032812774.db2.gz NTEOHKBBLNAIBL-HOTGVXAUSA-N 1 2 383.414 3.836 20 30 GHEDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@@H]1C(F)(F)F ZINC001204373118 1032812787 /nfs/dbraw/zinc/81/27/87/1032812787.db2.gz NTEOHKBBLNAIBL-HOTGVXAUSA-N 1 2 383.414 3.836 20 30 GHEDLO N#Cc1cccnc1OC1CCC([NH2+][C@@H](c2ncn[nH]2)C2CCCCC2)CC1 ZINC000577041104 1020111304 /nfs/dbraw/zinc/11/13/04/1020111304.db2.gz OKWOSGVXDIWZMR-CTWPCTMYSA-N 1 2 380.496 3.673 20 30 GHEDLO C#CCCOc1ccc(-c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)cc1 ZINC000834459967 1021196572 /nfs/dbraw/zinc/19/65/72/1021196572.db2.gz RFABIKRMCUJKTB-OAQYLSRUSA-N 1 2 389.455 3.712 20 30 GHEDLO C#CCCOc1ccc(-c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)cc1 ZINC000834459967 1021196576 /nfs/dbraw/zinc/19/65/76/1021196576.db2.gz RFABIKRMCUJKTB-OAQYLSRUSA-N 1 2 389.455 3.712 20 30 GHEDLO C[C@@H]([NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2)c1cc(C#N)ccn1 ZINC000902772826 1021535893 /nfs/dbraw/zinc/53/58/93/1021535893.db2.gz IXGBCLJOMUCGTD-NWDGAFQWSA-N 1 2 388.265 3.899 20 30 GHEDLO C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(Cl)nc(C(F)(F)F)c1)CC2 ZINC001277315709 1032997851 /nfs/dbraw/zinc/99/78/51/1032997851.db2.gz MGHZKXZOHVGEGM-ZDUSSCGKSA-N 1 2 387.833 3.658 20 30 GHEDLO CCc1ccc([C@H](COC)[NH2+]CC(=O)N(CCC#N)c2ccc(C)c(C)c2)o1 ZINC000754346510 1022633020 /nfs/dbraw/zinc/63/30/20/1022633020.db2.gz CSQRMMMAVYXFJE-FQEVSTJZSA-N 1 2 383.492 3.683 20 30 GHEDLO COc1cc(C#N)ccc1COC(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1 ZINC000754953735 1022981140 /nfs/dbraw/zinc/98/11/40/1022981140.db2.gz YUBDZRNHFZRPGF-UHFFFAOYSA-N 1 2 388.427 3.634 20 30 GHEDLO C#CCN(C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CCCC1 ZINC000755098363 1023072374 /nfs/dbraw/zinc/07/23/74/1023072374.db2.gz IHCAIGOVGBYWFE-OALUTQOASA-N 1 2 377.891 3.812 20 30 GHEDLO C#CCN(C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CCCC1 ZINC000755098363 1023072386 /nfs/dbraw/zinc/07/23/86/1023072386.db2.gz IHCAIGOVGBYWFE-OALUTQOASA-N 1 2 377.891 3.812 20 30 GHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c1=S ZINC000756870779 1023843417 /nfs/dbraw/zinc/84/34/17/1023843417.db2.gz BKNTUODCFBBVDN-OALUTQOASA-N 1 2 384.549 3.649 20 30 GHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+]2CCC[C@H]3COCC[C@@H]32)c1=S ZINC000756870779 1023843425 /nfs/dbraw/zinc/84/34/25/1023843425.db2.gz BKNTUODCFBBVDN-OALUTQOASA-N 1 2 384.549 3.649 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@@H+]2CCC[C@H]3COCC[C@H]32)c1=S ZINC000756892868 1023849153 /nfs/dbraw/zinc/84/91/53/1023849153.db2.gz YRXLZDYPYWCWCU-FUHWJXTLSA-N 1 2 388.512 3.865 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(C[N@H+]2CCC[C@H]3COCC[C@H]32)c1=S ZINC000756892868 1023849157 /nfs/dbraw/zinc/84/91/57/1023849157.db2.gz YRXLZDYPYWCWCU-FUHWJXTLSA-N 1 2 388.512 3.865 20 30 GHEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1cc3c(cc1Cl)OCO3)CCO2 ZINC001138242284 1024449797 /nfs/dbraw/zinc/44/97/97/1024449797.db2.gz KKWGUVGMLKWRJS-OXJNMPFZSA-N 1 2 379.884 3.642 20 30 GHEDLO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1cc3c(cc1Cl)OCO3)CCO2 ZINC001138242284 1024449803 /nfs/dbraw/zinc/44/98/03/1024449803.db2.gz KKWGUVGMLKWRJS-OXJNMPFZSA-N 1 2 379.884 3.642 20 30 GHEDLO C#CCOc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CC)cc1OC ZINC001138345647 1024706161 /nfs/dbraw/zinc/70/61/61/1024706161.db2.gz LCYLPIRSWIQXEV-SFHVURJKSA-N 1 2 388.508 3.539 20 30 GHEDLO C#CCOc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@@H]2CC)cc1OC ZINC001138345647 1024706169 /nfs/dbraw/zinc/70/61/69/1024706169.db2.gz LCYLPIRSWIQXEV-SFHVURJKSA-N 1 2 388.508 3.539 20 30 GHEDLO CCOC(=O)C1(C#N)CC[NH+](Cc2ccc(OC)c(OC3CCCC3)c2)CC1 ZINC001141523289 1025383148 /nfs/dbraw/zinc/38/31/48/1025383148.db2.gz KJEVORXTUMSHHD-UHFFFAOYSA-N 1 2 386.492 3.685 20 30 GHEDLO N#Cc1ccc(NC2CC2)c(NC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)c1 ZINC001138966491 1025677078 /nfs/dbraw/zinc/67/70/78/1025677078.db2.gz NBYZAXFPECXJFZ-UHFFFAOYSA-N 1 2 386.459 3.693 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC(c2cc(C3CC[NH+](CCC#N)CC3)n[nH]2)CC1 ZINC000839180167 1025692592 /nfs/dbraw/zinc/69/25/92/1025692592.db2.gz QAKIYOXDWFMELX-UHFFFAOYSA-N 1 2 387.528 3.617 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@@H](F)[C@](O)(C(F)(F)F)CC2)c1 ZINC001141654689 1026090365 /nfs/dbraw/zinc/09/03/65/1026090365.db2.gz GUOVNKPPHYOYAM-KGLIPLIRSA-N 1 2 395.194 3.548 20 30 GHEDLO N#Cc1ccc(Br)c(C[N@H+]2CC[C@@H](F)[C@](O)(C(F)(F)F)CC2)c1 ZINC001141654689 1026090378 /nfs/dbraw/zinc/09/03/78/1026090378.db2.gz GUOVNKPPHYOYAM-KGLIPLIRSA-N 1 2 395.194 3.548 20 30 GHEDLO N#Cc1cccc(Oc2ccnc(NCc3ccccc3Cn3cc[nH+]c3)n2)c1 ZINC001163437306 1026194855 /nfs/dbraw/zinc/19/48/55/1026194855.db2.gz NQJBVISCIMZRJM-UHFFFAOYSA-N 1 2 382.427 3.997 20 30 GHEDLO N#Cc1cc(C(F)(F)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc(Cl)n1 ZINC001163845160 1026336786 /nfs/dbraw/zinc/33/67/86/1026336786.db2.gz GCMGDDIAUDYZCP-QPJJXVBHSA-N 1 2 388.849 3.987 20 30 GHEDLO N#Cc1cnc(Cl)cc1C(F)(F)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001163846146 1026338071 /nfs/dbraw/zinc/33/80/71/1026338071.db2.gz REVCVJPCEAKTTC-QPJJXVBHSA-N 1 2 388.849 3.987 20 30 GHEDLO COC(=O)C1(C#N)CC[NH+](Cc2c(Br)ccc3ccccc32)CC1 ZINC001141722590 1026341871 /nfs/dbraw/zinc/34/18/71/1026341871.db2.gz FCCXAQZPVIEXHL-UHFFFAOYSA-N 1 2 387.277 3.881 20 30 GHEDLO C=CCOC[C@@H]1C[N@@H+](Cc2cc(C)ccc2OCC)Cc2nnn(CC3CC3)c21 ZINC001139603657 1026466672 /nfs/dbraw/zinc/46/66/72/1026466672.db2.gz QFYKNCFMJAJCMY-FQEVSTJZSA-N 1 2 396.535 3.697 20 30 GHEDLO C=CCOC[C@@H]1C[N@H+](Cc2cc(C)ccc2OCC)Cc2nnn(CC3CC3)c21 ZINC001139603657 1026466678 /nfs/dbraw/zinc/46/66/78/1026466678.db2.gz QFYKNCFMJAJCMY-FQEVSTJZSA-N 1 2 396.535 3.697 20 30 GHEDLO CCOC[C@H]1CN(c2[nH+]ccc3ccc(C#N)cc32)Cc2nn(CC3CC3)cc21 ZINC001165526064 1026753749 /nfs/dbraw/zinc/75/37/49/1026753749.db2.gz FUIYSEUMCNYKLC-LJQANCHMSA-N 1 2 387.487 3.853 20 30 GHEDLO C=CCN1C(=O)CC[C@]12CCCN(c1cc(N3CCC[C@H](C)C3)[nH+]cn1)[C@H]2CC ZINC001165598061 1026771748 /nfs/dbraw/zinc/77/17/48/1026771748.db2.gz OMPGCXBDSMMTGU-YDHSSHFGSA-N 1 2 397.567 3.639 20 30 GHEDLO C=CCN1C(=O)CC[C@]12CCCN(c1cc(N3CCC[C@H](C)C3)nc[nH+]1)[C@H]2CC ZINC001165598061 1026771756 /nfs/dbraw/zinc/77/17/56/1026771756.db2.gz OMPGCXBDSMMTGU-YDHSSHFGSA-N 1 2 397.567 3.639 20 30 GHEDLO N#Cc1c[nH]c2cc[nH+]c(N3CCc4ncnc(-c5ccc(F)cc5)c4CC3)c12 ZINC001165755232 1026822299 /nfs/dbraw/zinc/82/22/99/1026822299.db2.gz XQMKQJSFSVGHSS-UHFFFAOYSA-N 1 2 384.418 3.636 20 30 GHEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC2(CC1)OC(=O)c1ccccc12 ZINC001141813689 1027348174 /nfs/dbraw/zinc/34/81/74/1027348174.db2.gz ZHUBAGSZAJPZRT-UHFFFAOYSA-N 1 2 397.272 3.982 20 30 GHEDLO C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(Cl)cc(Cl)c1Cl)CC2 ZINC001276683522 1027490580 /nfs/dbraw/zinc/49/05/80/1027490580.db2.gz LYSIKUIGXSSGAW-CQSZACIVSA-N 1 2 385.722 3.998 20 30 GHEDLO Cc1ccc(Nc2ccc(C(=O)N3CCN(c4cccc[nH+]4)CC3)cc2)c(C#N)c1 ZINC001210566583 1027560217 /nfs/dbraw/zinc/56/02/17/1027560217.db2.gz JLKSSEMTGGTOCJ-UHFFFAOYSA-N 1 2 397.482 3.968 20 30 GHEDLO CC[C@@H]1[N@H+](Cc2cc(Br)ccc2C#N)CCC[C@]12CCC(=O)N2C ZINC001141899362 1027618394 /nfs/dbraw/zinc/61/83/94/1027618394.db2.gz IXYFHNZSTHYCPI-HKUYNNGSSA-N 1 2 390.325 3.686 20 30 GHEDLO CC[C@@H]1[N@@H+](Cc2cc(Br)ccc2C#N)CCC[C@]12CCC(=O)N2C ZINC001141899362 1027618401 /nfs/dbraw/zinc/61/84/01/1027618401.db2.gz IXYFHNZSTHYCPI-HKUYNNGSSA-N 1 2 390.325 3.686 20 30 GHEDLO Cc1cc(Cl)nc(Nc2ccc(OCC[NH+]3CCOCC3)cc2F)c1C#N ZINC001213483092 1028215377 /nfs/dbraw/zinc/21/53/77/1028215377.db2.gz GPEUSBRNZVZNLS-UHFFFAOYSA-N 1 2 390.846 3.509 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](CN3C[C@@H](C4CCCC4)CC3=O)CC2)c(F)c1 ZINC000842604036 1029408505 /nfs/dbraw/zinc/40/85/05/1029408505.db2.gz JXVLDHXZFNUKLS-SFHVURJKSA-N 1 2 385.483 3.537 20 30 GHEDLO C#CC[C@@H]1CCC[N@@H+](Cn2nc(Cc3ccc(OC)c(OC)c3)oc2=S)C1 ZINC000842628405 1029430223 /nfs/dbraw/zinc/43/02/23/1029430223.db2.gz BWTXDWMKNQUBSY-OAHLLOKOSA-N 1 2 387.505 3.506 20 30 GHEDLO C#CC[C@@H]1CCC[N@H+](Cn2nc(Cc3ccc(OC)c(OC)c3)oc2=S)C1 ZINC000842628405 1029430231 /nfs/dbraw/zinc/43/02/31/1029430231.db2.gz BWTXDWMKNQUBSY-OAHLLOKOSA-N 1 2 387.505 3.506 20 30 GHEDLO C#CC1CC[NH+](Cn2nc(N3CCCC3)n(-c3ccc(C)cc3)c2=S)CC1 ZINC000842633451 1029438915 /nfs/dbraw/zinc/43/89/15/1029438915.db2.gz HUKOGQAQVBUDID-UHFFFAOYSA-N 1 2 381.549 3.615 20 30 GHEDLO CCOC[C@H]1C[N@H+](Cc2c[nH]c3cc(C#N)ccc23)Cc2ncn(CC3CC3)c21 ZINC001142916337 1029688724 /nfs/dbraw/zinc/68/87/24/1029688724.db2.gz SEABBVWBNVJPLI-LJQANCHMSA-N 1 2 389.503 3.782 20 30 GHEDLO CCOC[C@H]1C[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)Cc2ncn(CC3CC3)c21 ZINC001142916337 1029688727 /nfs/dbraw/zinc/68/87/27/1029688727.db2.gz SEABBVWBNVJPLI-LJQANCHMSA-N 1 2 389.503 3.782 20 30 GHEDLO C[C@H]1[C@@H](CNC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143164208 1029876265 /nfs/dbraw/zinc/87/62/65/1029876265.db2.gz BODXKGSYQWJPLR-DZGCQCFKSA-N 1 2 379.451 3.962 20 30 GHEDLO C[C@H]1[C@@H](CNC(=O)OC(C)(C)C)CCC[N@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143164208 1029876273 /nfs/dbraw/zinc/87/62/73/1029876273.db2.gz BODXKGSYQWJPLR-DZGCQCFKSA-N 1 2 379.451 3.962 20 30 GHEDLO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](Cc3c(F)ccc(C#N)c3F)C[C@H]12 ZINC001143171355 1029881858 /nfs/dbraw/zinc/88/18/58/1029881858.db2.gz XIZNQGWBJRAWPK-GMAHTHKFSA-N 1 2 395.453 3.601 20 30 GHEDLO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3c(F)ccc(C#N)c3F)C[C@H]12 ZINC001143171355 1029881866 /nfs/dbraw/zinc/88/18/66/1029881866.db2.gz XIZNQGWBJRAWPK-GMAHTHKFSA-N 1 2 395.453 3.601 20 30 GHEDLO N#Cc1cc(F)cc(C2(C(=O)N3CC[NH2+][C@H](c4ccc(Cl)cc4)C3)CC2)c1 ZINC001149537179 1030213759 /nfs/dbraw/zinc/21/37/59/1030213759.db2.gz WWNDUHDNVAVVMA-IBGZPJMESA-N 1 2 383.854 3.555 20 30 GHEDLO N#Cc1ccccc1Sc1ccc(NC(=O)N[C@H]2Cc3c[nH+]cn3C2)cc1 ZINC001218060675 1030748867 /nfs/dbraw/zinc/74/88/67/1030748867.db2.gz NZXOAPMVGZGCSA-INIZCTEOSA-N 1 2 375.457 3.652 20 30 GHEDLO CC(C)C#CC(=O)N1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC001151037008 1030752685 /nfs/dbraw/zinc/75/26/85/1030752685.db2.gz DJVULCRWKOPCJV-UHFFFAOYSA-N 1 2 376.500 3.569 20 30 GHEDLO C[C@H](C#N)c1cccc(C(=O)Nc2ccc(O[C@H]3CC[NH2+]CC3(F)F)cc2)c1 ZINC001219461763 1031434116 /nfs/dbraw/zinc/43/41/16/1031434116.db2.gz OVAYPLBJBKTRTC-KUHUBIRLSA-N 1 2 385.414 3.942 20 30 GHEDLO N#Cc1c[nH]c2c1cccc2C(=O)Nc1ccc(O[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC001219465295 1031440377 /nfs/dbraw/zinc/44/03/77/1031440377.db2.gz PUAGLHRILGTKKO-GOSISDBHSA-N 1 2 396.397 3.668 20 30 GHEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c(Cl)cc(OC)cc1OC ZINC001277137595 1032012338 /nfs/dbraw/zinc/01/23/38/1032012338.db2.gz WWUAGCYSXFJIOE-FQEVSTJZSA-N 1 2 378.900 3.500 20 30 GHEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c(Cl)cc(OC)cc1OC ZINC001277137595 1032012349 /nfs/dbraw/zinc/01/23/49/1032012349.db2.gz WWUAGCYSXFJIOE-FQEVSTJZSA-N 1 2 378.900 3.500 20 30 GHEDLO COc1cc(O[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)c2c(c1)oc(C)cc2=O ZINC001229461053 1033495714 /nfs/dbraw/zinc/49/57/14/1033495714.db2.gz HYWIXEVPIFISEU-GOSISDBHSA-N 1 2 390.439 3.635 20 30 GHEDLO COc1cc(O[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c2c(c1)oc(C)cc2=O ZINC001229461053 1033495719 /nfs/dbraw/zinc/49/57/19/1033495719.db2.gz HYWIXEVPIFISEU-GOSISDBHSA-N 1 2 390.439 3.635 20 30 GHEDLO C[NH+](C)Cc1nc(CSCCNc2ncc3c(c2C#N)CCCC3)cs1 ZINC001157340138 1033543243 /nfs/dbraw/zinc/54/32/43/1033543243.db2.gz PRPIIYAIRMHHHH-UHFFFAOYSA-N 1 2 387.578 3.695 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cnc(Br)c(C)c1 ZINC001277474170 1034306477 /nfs/dbraw/zinc/30/64/77/1034306477.db2.gz MSJXCGIBUMIFES-IBGZPJMESA-N 1 2 392.341 3.686 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cnc(Br)c(C)c1 ZINC001277474170 1034306489 /nfs/dbraw/zinc/30/64/89/1034306489.db2.gz MSJXCGIBUMIFES-IBGZPJMESA-N 1 2 392.341 3.686 20 30 GHEDLO C#CCN1CC[C@]2(CCC[N@H+]2Cc2csc(-c3ccc(Cl)cc3)n2)C1=O ZINC001277487865 1034406594 /nfs/dbraw/zinc/40/65/94/1034406594.db2.gz QWBWNCSKCHPTDZ-HXUWFJFHSA-N 1 2 385.920 3.664 20 30 GHEDLO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2csc(-c3ccc(Cl)cc3)n2)C1=O ZINC001277487865 1034406600 /nfs/dbraw/zinc/40/66/00/1034406600.db2.gz QWBWNCSKCHPTDZ-HXUWFJFHSA-N 1 2 385.920 3.664 20 30 GHEDLO CCOC(=O)n1nc2c(c1Nc1nc(C)c(Cl)c(C)c1C#N)C[NH2+]C2(C)C ZINC001159654467 1034704274 /nfs/dbraw/zinc/70/42/74/1034704274.db2.gz AZUSTSYPVMLLFQ-UHFFFAOYSA-N 1 2 388.859 3.507 20 30 GHEDLO C=C(C)[C@@H]1CC=C(C[N@H+]2Cc3nccn3C[C@@H](Cn3nc(C)nc3C)C2)CC1 ZINC001208171487 1034771987 /nfs/dbraw/zinc/77/19/87/1034771987.db2.gz UUTHVBIDNDZNSS-LEWJYISDSA-N 1 2 380.540 3.526 20 30 GHEDLO C=C(C)[C@@H]1CC=C(C[N@@H+]2Cc3nccn3C[C@@H](Cn3nc(C)nc3C)C2)CC1 ZINC001208171487 1034771998 /nfs/dbraw/zinc/77/19/98/1034771998.db2.gz UUTHVBIDNDZNSS-LEWJYISDSA-N 1 2 380.540 3.526 20 30 GHEDLO C=CCOc1cccc(C[N@@H+]2Cc3nn(CC4CC4)cc3[C@H](COCC)C2)c1 ZINC001231622166 1034779304 /nfs/dbraw/zinc/77/93/04/1034779304.db2.gz SLTDXGHGCXEDRI-FQEVSTJZSA-N 1 2 381.520 3.994 20 30 GHEDLO C=CCOc1cccc(C[N@H+]2Cc3nn(CC4CC4)cc3[C@H](COCC)C2)c1 ZINC001231622166 1034779317 /nfs/dbraw/zinc/77/93/17/1034779317.db2.gz SLTDXGHGCXEDRI-FQEVSTJZSA-N 1 2 381.520 3.994 20 30 GHEDLO CCCCCCCC(=O)c1ccc(O)c(C(=O)N2C[C@H]([NH3+])CC(F)(F)C2)c1 ZINC001160973388 1035109822 /nfs/dbraw/zinc/10/98/22/1035109822.db2.gz UIZSVSQFWJNNMX-OAHLLOKOSA-N 1 2 382.451 3.744 20 30 GHEDLO Cc1cnc(NCc2c[nH+]cn2Cc2ccccc2Br)c(C#N)c1 ZINC001161518219 1035247752 /nfs/dbraw/zinc/24/77/52/1035247752.db2.gz YOAVZJSIEURAGW-UHFFFAOYSA-N 1 2 382.265 3.881 20 30 GHEDLO Cc1ccnc(NCc2c[nH+]cn2Cc2ccccc2Br)c1C#N ZINC001161520154 1035248747 /nfs/dbraw/zinc/24/87/47/1035248747.db2.gz UJZLOXAXIGGLHC-UHFFFAOYSA-N 1 2 382.265 3.881 20 30 GHEDLO CCCC[N@H+](CCC#N)Cc1ccc(OC)c(I)c1O ZINC001248489959 1035912352 /nfs/dbraw/zinc/91/23/52/1035912352.db2.gz RUBJBRQTZPQUIO-UHFFFAOYSA-N 1 2 388.249 3.521 20 30 GHEDLO CCCC[N@@H+](CCC#N)Cc1ccc(OC)c(I)c1O ZINC001248489959 1035912360 /nfs/dbraw/zinc/91/23/60/1035912360.db2.gz RUBJBRQTZPQUIO-UHFFFAOYSA-N 1 2 388.249 3.521 20 30 GHEDLO CCc1cc(C#N)ccc1C[N@H+](Cc1cnn(CC)c1)Cc1c(C)nn(C)c1C ZINC001248751009 1036108566 /nfs/dbraw/zinc/10/85/66/1036108566.db2.gz GMWCDJKGPINKDQ-UHFFFAOYSA-N 1 2 390.535 3.890 20 30 GHEDLO CCc1cc(C#N)ccc1C[N@@H+](Cc1cnn(CC)c1)Cc1c(C)nn(C)c1C ZINC001248751009 1036108571 /nfs/dbraw/zinc/10/85/71/1036108571.db2.gz GMWCDJKGPINKDQ-UHFFFAOYSA-N 1 2 390.535 3.890 20 30 GHEDLO N#Cc1cc2ccccc2nc1-c1ccc(OCC[NH+]2CCOCC2)cc1F ZINC001244130458 1036385901 /nfs/dbraw/zinc/38/59/01/1036385901.db2.gz NHHMDRACDHKULK-UHFFFAOYSA-N 1 2 377.419 3.624 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2O)C[C@@H]1C(F)(F)F ZINC001232677333 1038476031 /nfs/dbraw/zinc/47/60/31/1038476031.db2.gz AYGMVZLDUMRJAI-LSDHHAIUSA-N 1 2 399.413 3.541 20 30 GHEDLO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2O)C[C@@H]1C(F)(F)F ZINC001232677333 1038476036 /nfs/dbraw/zinc/47/60/36/1038476036.db2.gz AYGMVZLDUMRJAI-LSDHHAIUSA-N 1 2 399.413 3.541 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(Cc3cccc(Br)c3)CC2)s1 ZINC001232844035 1038595062 /nfs/dbraw/zinc/59/50/62/1038595062.db2.gz LWPNHDXRWDJLQT-UHFFFAOYSA-N 1 2 376.323 3.700 20 30 GHEDLO CSc1nc(Cl)cc(N2CCC[N@H+](Cc3cc(F)ccc3C#N)CC2)n1 ZINC001232894379 1038686402 /nfs/dbraw/zinc/68/64/02/1038686402.db2.gz UEOHXYPIFNOFCZ-UHFFFAOYSA-N 1 2 391.903 3.575 20 30 GHEDLO CSc1nc(Cl)cc(N2CCC[N@@H+](Cc3cc(F)ccc3C#N)CC2)n1 ZINC001232894379 1038686407 /nfs/dbraw/zinc/68/64/07/1038686407.db2.gz UEOHXYPIFNOFCZ-UHFFFAOYSA-N 1 2 391.903 3.575 20 30 GHEDLO C=CCCCCCC[C@@H](O)CNc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001253243946 1039500625 /nfs/dbraw/zinc/50/06/25/1039500625.db2.gz CWZPXMJLEFGXAL-OAQYLSRUSA-N 1 2 376.541 3.697 20 30 GHEDLO COc1cc(/C=C\C(C)=O)ccc1OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001234338872 1039973767 /nfs/dbraw/zinc/97/37/67/1039973767.db2.gz JWVVSVKWOVFNSH-HEDKFQSOSA-N 1 2 381.472 3.577 20 30 GHEDLO COc1cc(/C=C\C(C)=O)ccc1OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001234338872 1039973773 /nfs/dbraw/zinc/97/37/73/1039973773.db2.gz JWVVSVKWOVFNSH-HEDKFQSOSA-N 1 2 381.472 3.577 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2sc(Br)cc2C)C1=O ZINC001277849124 1039981537 /nfs/dbraw/zinc/98/15/37/1039981537.db2.gz PTVZYPZHTXLHHU-KRWDZBQOSA-N 1 2 383.355 3.962 20 30 GHEDLO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2sc(Br)cc2C)C1=O ZINC001277849124 1039981543 /nfs/dbraw/zinc/98/15/43/1039981543.db2.gz PTVZYPZHTXLHHU-KRWDZBQOSA-N 1 2 383.355 3.962 20 30 GHEDLO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+]C1CCN(c2ccc(F)cc2)CC1 ZINC001254614472 1040385673 /nfs/dbraw/zinc/38/56/73/1040385673.db2.gz QYFLAYPWRJIUQX-QFIPXVFZSA-N 1 2 382.479 3.725 20 30 GHEDLO C=C1CCC(CNC(=O)N(Cc2ccccc2)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001255135221 1040837467 /nfs/dbraw/zinc/83/74/67/1040837467.db2.gz USTSTEZYTRORGD-HXUWFJFHSA-N 1 2 385.552 3.665 20 30 GHEDLO CC(C)(C)OC(=O)N1CC2(C1)CCC[N@H+](Cc1c(F)cc(C#N)cc1F)C2 ZINC001235658542 1041105255 /nfs/dbraw/zinc/10/52/55/1041105255.db2.gz OMCVXGKBMYFGGB-UHFFFAOYSA-N 1 2 377.435 3.669 20 30 GHEDLO CC(C)(C)OC(=O)N1CC2(C1)CCC[N@@H+](Cc1c(F)cc(C#N)cc1F)C2 ZINC001235658542 1041105275 /nfs/dbraw/zinc/10/52/75/1041105275.db2.gz OMCVXGKBMYFGGB-UHFFFAOYSA-N 1 2 377.435 3.669 20 30 GHEDLO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(OCC)c(Br)c2)C1 ZINC001236672257 1041819790 /nfs/dbraw/zinc/81/97/90/1041819790.db2.gz DPQSOBRPBBGXQD-OAHLLOKOSA-N 1 2 397.313 3.724 20 30 GHEDLO C=CCOC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(OCC)c(Br)c2)C1 ZINC001236672257 1041819793 /nfs/dbraw/zinc/81/97/93/1041819793.db2.gz DPQSOBRPBBGXQD-OAHLLOKOSA-N 1 2 397.313 3.724 20 30 GHEDLO CCc1cc(Br)ccc1C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC001237751036 1042353555 /nfs/dbraw/zinc/35/35/55/1042353555.db2.gz WJSHGDSXLGIVHS-UHFFFAOYSA-N 1 2 385.309 3.600 20 30 GHEDLO COc1ccc(OC)c(C[NH+]2CCN(Cc3cc(Cl)cc(C#N)c3)CC2)c1 ZINC001237757689 1042356505 /nfs/dbraw/zinc/35/65/05/1042356505.db2.gz SFCKGQUGTMTICJ-UHFFFAOYSA-N 1 2 385.895 3.547 20 30 GHEDLO N#CC1(c2ccc(Br)cc2)CC[NH+](Cc2c(N)ccnc2F)CC1 ZINC001238159192 1042506869 /nfs/dbraw/zinc/50/68/69/1042506869.db2.gz HHHKRALAVRHXRO-UHFFFAOYSA-N 1 2 389.272 3.623 20 30 GHEDLO O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@@H]1C[NH2+]CC(F)(F)C1 ZINC001239227409 1042790259 /nfs/dbraw/zinc/79/02/59/1042790259.db2.gz OHRBFCIEBOGLAR-JTQLQIEISA-N 1 2 391.262 3.843 20 30 GHEDLO C=C[C@@H]1C[C@]1([NH2+][C@H]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1)C(=O)OCC ZINC001257801575 1044184169 /nfs/dbraw/zinc/18/41/69/1044184169.db2.gz XDABKMSXXUCMRI-WOSNLTMFSA-N 1 2 392.540 3.654 20 30 GHEDLO CSc1[nH]c(=O)c(C(=O)Nc2cccc3c2C[N@H+](CC(C)C)C3)cc1C#N ZINC001295454738 1045022500 /nfs/dbraw/zinc/02/25/00/1045022500.db2.gz RUSSLKHCAFFKCD-UHFFFAOYSA-N 1 2 382.489 3.605 20 30 GHEDLO CSc1[nH]c(=O)c(C(=O)Nc2cccc3c2C[N@@H+](CC(C)C)C3)cc1C#N ZINC001295454738 1045022514 /nfs/dbraw/zinc/02/25/14/1045022514.db2.gz RUSSLKHCAFFKCD-UHFFFAOYSA-N 1 2 382.489 3.605 20 30 GHEDLO C=CCn1c(C[NH+]2CCCCC2)nnc1N1CCC2(CCSCC2)CC1 ZINC001262952238 1046447258 /nfs/dbraw/zinc/44/72/58/1046447258.db2.gz NRENDTKYUDZFFV-UHFFFAOYSA-N 1 2 375.586 3.564 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC(c2ccccc2)CC1 ZINC001263024939 1046511956 /nfs/dbraw/zinc/51/19/56/1046511956.db2.gz OJYFQAPYVOPFMW-UHFFFAOYSA-N 1 2 392.551 3.775 20 30 GHEDLO C=C(C)Cn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1CCC2(CCCC2)C1 ZINC001263343125 1046726484 /nfs/dbraw/zinc/72/64/84/1046726484.db2.gz OPPSPVGBIPARHB-MOPGFXCFSA-N 1 2 385.556 3.551 20 30 GHEDLO C=C(C)Cn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1CCC2(CCCC2)C1 ZINC001263343125 1046726501 /nfs/dbraw/zinc/72/65/01/1046726501.db2.gz OPPSPVGBIPARHB-MOPGFXCFSA-N 1 2 385.556 3.551 20 30 GHEDLO C#CCN(C)c1nnc(COc2cccc(C)c2)n1CCCc1cccc(C)[nH+]1 ZINC001286378472 1048298967 /nfs/dbraw/zinc/29/89/67/1048298967.db2.gz UAWJALDEZBLEOE-UHFFFAOYSA-N 1 2 389.503 3.571 20 30 GHEDLO C#CCN(CC)c1nnc(CC(C)(C)C)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001286447534 1048327298 /nfs/dbraw/zinc/32/72/98/1048327298.db2.gz SCAJVVSOYHAHPW-UHFFFAOYSA-N 1 2 382.556 3.616 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCCC(C)C)CC1 ZINC001286477182 1048336291 /nfs/dbraw/zinc/33/62/91/1048336291.db2.gz QTBXFXPYLKCSJZ-UHFFFAOYSA-N 1 2 390.535 3.618 20 30 GHEDLO C=C1CCN(c2nnc(CC(C)C)n2Cc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC001286647102 1048413736 /nfs/dbraw/zinc/41/37/36/1048413736.db2.gz ZIMDGLPPPUJNJJ-UHFFFAOYSA-N 1 2 390.535 3.926 20 30 GHEDLO CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(Cc2ccncc2C#N)CC1 ZINC001307462447 1049297993 /nfs/dbraw/zinc/29/79/93/1049297993.db2.gz FKMSEIMZVAXXAU-FQEVSTJZSA-N 1 2 399.336 3.985 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC001307945659 1049715211 /nfs/dbraw/zinc/71/52/11/1049715211.db2.gz YZMDQZLXLXEQNC-HNNXBMFYSA-N 1 2 398.677 3.780 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001342329013 1053110241 /nfs/dbraw/zinc/11/02/41/1053110241.db2.gz MFHQDPSKODYUKC-WOJBJXKFSA-N 1 2 399.514 3.728 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001342329013 1053110246 /nfs/dbraw/zinc/11/02/46/1053110246.db2.gz MFHQDPSKODYUKC-WOJBJXKFSA-N 1 2 399.514 3.728 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1C[C@@H](OC)CC[C@H]1C ZINC001343577696 1053901436 /nfs/dbraw/zinc/90/14/36/1053901436.db2.gz RNSLFORSTKGCFH-CEXWTWQISA-N 1 2 386.544 3.690 20 30 GHEDLO N#CCC1CCN(c2nnc(C[NH+]3CCCCC3)n2CCc2ccccc2)CC1 ZINC001344590591 1054582919 /nfs/dbraw/zinc/58/29/19/1054582919.db2.gz PZCMEDVIKFNZJC-UHFFFAOYSA-N 1 2 392.551 3.637 20 30 GHEDLO CC(C)C[C@H](c1nnc(N(C)[C@@H]2CCC[C@@H]2C#N)n1CC1CC1)n1cc[nH+]c1 ZINC001345699440 1055210807 /nfs/dbraw/zinc/21/08/07/1055210807.db2.gz LWVCXZJQUIHZAQ-GUDVDZBRSA-N 1 2 381.528 3.649 20 30 GHEDLO C=CCO[C@H]1CCN(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC001320064974 1055631168 /nfs/dbraw/zinc/63/11/68/1055631168.db2.gz YBFDKDPRGAXETF-YJBOKZPZSA-N 1 2 395.906 3.603 20 30 GHEDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccc(Sc3ccccc3C#N)cc2)[C@@H](C)CO1 ZINC001300609375 1056635630 /nfs/dbraw/zinc/63/56/30/1056635630.db2.gz ASAKOUWYVHKCCQ-DLBZAZTESA-N 1 2 395.528 3.548 20 30 GHEDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc(Sc3ccccc3C#N)cc2)[C@@H](C)CO1 ZINC001300609375 1056635639 /nfs/dbraw/zinc/63/56/39/1056635639.db2.gz ASAKOUWYVHKCCQ-DLBZAZTESA-N 1 2 395.528 3.548 20 30 GHEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1C[C@@H](c2ccccc2)C[C@H]1C ZINC001355976619 1057340932 /nfs/dbraw/zinc/34/09/32/1057340932.db2.gz NBVXIGPKRKPEMS-MJGOQNOKSA-N 1 2 376.508 3.561 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC(c2ncc(C)s2)CC1 ZINC001338749317 1058763066 /nfs/dbraw/zinc/76/30/66/1058763066.db2.gz MJDFYJKYUTZZMF-QGZVFWFLSA-N 1 2 386.569 3.770 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC(c2ncc(C)s2)CC1 ZINC001338749317 1058763086 /nfs/dbraw/zinc/76/30/86/1058763086.db2.gz MJDFYJKYUTZZMF-QGZVFWFLSA-N 1 2 386.569 3.770 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC(O)(CC=C)CC1 ZINC001338994925 1058918002 /nfs/dbraw/zinc/91/80/02/1058918002.db2.gz JWWJCLJJQMZOQX-IBGZPJMESA-N 1 2 395.551 3.565 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC(O)(CC=C)CC1 ZINC001338994925 1058918006 /nfs/dbraw/zinc/91/80/06/1058918006.db2.gz JWWJCLJJQMZOQX-IBGZPJMESA-N 1 2 395.551 3.565 20 30 GHEDLO Cn1c([C@H]2CCCC[N@@H+]2Cc2ccccc2)nnc1N1CCC(C)(C#N)CC1 ZINC001339037708 1058933603 /nfs/dbraw/zinc/93/36/03/1058933603.db2.gz XQGHYDDCRYDIAP-LJQANCHMSA-N 1 2 378.524 3.672 20 30 GHEDLO Cn1c([C@H]2CCCC[N@H+]2Cc2ccccc2)nnc1N1CCC(C)(C#N)CC1 ZINC001339037708 1058933615 /nfs/dbraw/zinc/93/36/15/1058933615.db2.gz XQGHYDDCRYDIAP-LJQANCHMSA-N 1 2 378.524 3.672 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2Cc2ccccc2)nnc1N1CC[C@H](C)[C@@H]1C ZINC001339091460 1058956138 /nfs/dbraw/zinc/95/61/38/1058956138.db2.gz UQBXZQDXSKNGHF-ROUUACIJSA-N 1 2 376.508 3.534 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N(C)Cc1scnc1C ZINC001339137854 1058976630 /nfs/dbraw/zinc/97/66/30/1058976630.db2.gz WTPIVRBRXLDMMN-MRXNPFEDSA-N 1 2 385.541 3.697 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(Cc1ccc(F)cc1)C1CC1 ZINC001339369315 1059149656 /nfs/dbraw/zinc/14/96/56/1059149656.db2.gz ZKPBRYBXTHTCQB-UHFFFAOYSA-N 1 2 396.514 3.699 20 30 GHEDLO CCn1c(C2CC[NH+](CCC#N)CC2)nnc1N(C)Cc1cccc(Cl)c1 ZINC001339496932 1059256334 /nfs/dbraw/zinc/25/63/34/1059256334.db2.gz BZOIOVFNUDTCCJ-UHFFFAOYSA-N 1 2 386.931 3.681 20 30 GHEDLO CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)C1 ZINC001340540399 1059968693 /nfs/dbraw/zinc/96/86/93/1059968693.db2.gz OSWRVNKCTCFGOO-AZUAARDMSA-N 1 2 391.519 3.566 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@@H+]2Cc2ccccc2)nnc1N1C[C@H]2[C@@H](C1)C2(F)F ZINC001340556781 1059974631 /nfs/dbraw/zinc/97/46/31/1059974631.db2.gz WQCDNSROSSEJJY-CEXWTWQISA-N 1 2 399.489 3.893 20 30 GHEDLO C=CCn1c([C@H]2CCCC[N@H+]2Cc2ccccc2)nnc1N1C[C@H]2[C@@H](C1)C2(F)F ZINC001340556781 1059974637 /nfs/dbraw/zinc/97/46/37/1059974637.db2.gz WQCDNSROSSEJJY-CEXWTWQISA-N 1 2 399.489 3.893 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC(CC#N)CC1 ZINC001340619263 1059997764 /nfs/dbraw/zinc/99/77/64/1059997764.db2.gz YEEFVNQCWVGUCB-SFHVURJKSA-N 1 2 378.524 3.787 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC(CC#N)CC1 ZINC001340619263 1059997770 /nfs/dbraw/zinc/99/77/70/1059997770.db2.gz YEEFVNQCWVGUCB-SFHVURJKSA-N 1 2 378.524 3.787 20 30 GHEDLO N#C[C@@H](CCc1ccccc1)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001450153635 1060542704 /nfs/dbraw/zinc/54/27/04/1060542704.db2.gz PIPHTFGKVQVZHQ-QGZVFWFLSA-N 1 2 378.863 3.914 20 30 GHEDLO N#C[C@H](CCc1ccccc1)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001450153629 1060542876 /nfs/dbraw/zinc/54/28/76/1060542876.db2.gz PIPHTFGKVQVZHQ-KRWDZBQOSA-N 1 2 378.863 3.914 20 30 GHEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N1CCC(c2ccccc2)CC1 ZINC001341867937 1060929463 /nfs/dbraw/zinc/92/94/63/1060929463.db2.gz GYAFGIUPKAQPOK-UHFFFAOYSA-N 1 2 376.508 3.563 20 30 GHEDLO C[C@@H](C1CC1)N(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1Cc1ccccc1 ZINC001342266608 1061188046 /nfs/dbraw/zinc/18/80/46/1061188046.db2.gz ZKDOTFJOCMRUNL-SFHVURJKSA-N 1 2 392.551 3.654 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC001346188084 1061437336 /nfs/dbraw/zinc/43/73/36/1061437336.db2.gz PXFIIMYWOOEKBF-SZMVWBNQSA-N 1 2 387.553 3.649 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC001346188084 1061437344 /nfs/dbraw/zinc/43/73/44/1061437344.db2.gz PXFIIMYWOOEKBF-SZMVWBNQSA-N 1 2 387.553 3.649 20 30 GHEDLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C#N)cc1F ZINC001435624386 1062789786 /nfs/dbraw/zinc/78/97/86/1062789786.db2.gz LJHPDFYIEBMNBK-ZHRRBRCNSA-N 1 2 394.494 3.774 20 30 GHEDLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C#N)cc1F ZINC001435624386 1062789796 /nfs/dbraw/zinc/78/97/96/1062789796.db2.gz LJHPDFYIEBMNBK-ZHRRBRCNSA-N 1 2 394.494 3.774 20 30 GHEDLO N#Cc1ccc(Nc2ccc([NH+]3CCC(C(N)=O)CC3)cc2)cc1Br ZINC001458164584 1063619091 /nfs/dbraw/zinc/61/90/91/1063619091.db2.gz UOAADOOQTFJFOL-UHFFFAOYSA-N 1 2 399.292 3.766 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](C[C@@H](O)c3ccc(Cl)c(F)c3)CC2)c(Cl)c1 ZINC001460024286 1064355091 /nfs/dbraw/zinc/35/50/91/1064355091.db2.gz HHOHNAUGYIHYSI-LJQANCHMSA-N 1 2 394.277 3.860 20 30 GHEDLO COC(=O)c1cccc(C#Cc2cccc(NC(=O)C[C@H](C)n3cc[nH+]c3)c2)c1 ZINC001351801774 1064610424 /nfs/dbraw/zinc/61/04/24/1064610424.db2.gz IJVJMMXESCUJIZ-KRWDZBQOSA-N 1 2 387.439 3.659 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2Cc2ccccc2)nnc1N1C[C@@H]2CCC[C@@H]2C1 ZINC001352094137 1064831569 /nfs/dbraw/zinc/83/15/69/1064831569.db2.gz TWUSWVGJQPNDCG-BGYRXZFFSA-N 1 2 388.519 3.536 20 30 GHEDLO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(Br)c(F)cc1O)C(C)C ZINC001464867255 1065251722 /nfs/dbraw/zinc/25/17/22/1065251722.db2.gz ATRDERIHBBHXCY-MRXNPFEDSA-N 1 2 399.304 3.722 20 30 GHEDLO N#Cc1ccccc1Oc1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)cc1Cl ZINC001469326530 1068104733 /nfs/dbraw/zinc/10/47/33/1068104733.db2.gz NWBPZFXZBGFZFY-MRXNPFEDSA-N 1 2 392.846 3.945 20 30 GHEDLO N#Cc1sccc1N1CC[NH+](C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC001460417437 1068957977 /nfs/dbraw/zinc/95/79/77/1068957977.db2.gz OQFUIGNEEFMPKB-MRXNPFEDSA-N 1 2 382.316 3.782 20 30 GHEDLO Cc1nc(NCc2cccc(C(=O)N(C)Cc3cc(C#N)cs3)c2)cc[nH+]1 ZINC001472143267 1073344600 /nfs/dbraw/zinc/34/46/00/1073344600.db2.gz PAHPTAJXURSQFN-UHFFFAOYSA-N 1 2 377.473 3.603 20 30 GHEDLO Cc1nn(-c2ccccc2F)cc1C[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC001474728181 1074536192 /nfs/dbraw/zinc/53/61/92/1074536192.db2.gz RLVGHCDBJFZTFH-JOCHJYFZSA-N 1 2 376.435 3.765 20 30 GHEDLO Cc1nn(-c2ccccc2F)cc1C[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC001474728181 1074536199 /nfs/dbraw/zinc/53/61/99/1074536199.db2.gz RLVGHCDBJFZTFH-JOCHJYFZSA-N 1 2 376.435 3.765 20 30 GHEDLO CC[C@H](C)c1nnc(N(C)C[C@H](C)C#N)n1Cc1ccc(N2CCCCC2)[nH+]c1 ZINC001495090909 1079381939 /nfs/dbraw/zinc/38/19/39/1079381939.db2.gz YBIAVKYSRNTFGC-MSOLQXFVSA-N 1 2 395.555 3.821 20 30 GHEDLO C[C@@H](C#N)C[N@H+](Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1)C1CC1 ZINC000824035294 608742229 /nfs/dbraw/zinc/74/22/29/608742229.db2.gz WIYZLDAYYURQJQ-INIZCTEOSA-N 1 2 388.475 3.570 20 30 GHEDLO C[C@@H](C#N)C[N@@H+](Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1)C1CC1 ZINC000824035294 608742230 /nfs/dbraw/zinc/74/22/30/608742230.db2.gz WIYZLDAYYURQJQ-INIZCTEOSA-N 1 2 388.475 3.570 20 30 GHEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)Nc3ccc(F)cc3C#N)CC2)cc1 ZINC000177914314 837387431 /nfs/dbraw/zinc/38/74/31/837387431.db2.gz IFUBHRYFYCQNMK-UHFFFAOYSA-N 1 2 381.455 3.554 20 30 GHEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2cc3ccccc3n2CC#N)CC1 ZINC000613221356 837421656 /nfs/dbraw/zinc/42/16/56/837421656.db2.gz QTOIBOIGNYSKTC-MRXNPFEDSA-N 1 2 378.501 3.745 20 30 GHEDLO Cc1ccc(-c2csc3ncnc(SC[C@@H](O)C[N@H+](C)CCC#N)c23)cc1 ZINC000414100733 837527533 /nfs/dbraw/zinc/52/75/33/837527533.db2.gz SLPUQWLRFRSMOV-INIZCTEOSA-N 1 2 398.557 3.965 20 30 GHEDLO Cc1ccc(-c2csc3ncnc(SC[C@@H](O)C[N@@H+](C)CCC#N)c23)cc1 ZINC000414100733 837527537 /nfs/dbraw/zinc/52/75/37/837527537.db2.gz SLPUQWLRFRSMOV-INIZCTEOSA-N 1 2 398.557 3.965 20 30 GHEDLO CC(C)COc1ccccc1C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000608857344 837585769 /nfs/dbraw/zinc/58/57/69/837585769.db2.gz RZCYBVSHBZCISF-UHFFFAOYSA-N 1 2 380.492 3.781 20 30 GHEDLO COc1cc(C[N@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])ccc1OC(F)F ZINC000577518697 834404709 /nfs/dbraw/zinc/40/47/09/834404709.db2.gz IIOHDRQSILOELC-UHFFFAOYSA-N 1 2 377.347 3.708 20 30 GHEDLO COc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])ccc1OC(F)F ZINC000577518697 834404710 /nfs/dbraw/zinc/40/47/10/834404710.db2.gz IIOHDRQSILOELC-UHFFFAOYSA-N 1 2 377.347 3.708 20 30 GHEDLO CC(=O)NC1CCC(NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CC1 ZINC000329305159 834803177 /nfs/dbraw/zinc/80/31/77/834803177.db2.gz OONKAPLTBSOKNC-UHFFFAOYSA-N 1 2 387.528 3.600 20 30 GHEDLO Cc1ccc(C#N)cc1NC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000175750752 835183690 /nfs/dbraw/zinc/18/36/90/835183690.db2.gz IRAGNJXIUOCFEZ-UHFFFAOYSA-N 1 2 377.492 3.723 20 30 GHEDLO N#CCSc1cccc(-c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)c1 ZINC000500814355 844035456 /nfs/dbraw/zinc/03/54/56/844035456.db2.gz JHBVJSHCIUUYQP-IBGZPJMESA-N 1 2 392.484 3.926 20 30 GHEDLO N#CCSc1cccc(-c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)c1 ZINC000500814355 844035465 /nfs/dbraw/zinc/03/54/65/844035465.db2.gz JHBVJSHCIUUYQP-IBGZPJMESA-N 1 2 392.484 3.926 20 30 GHEDLO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCc3c4ccccc4[nH]c3C1)CCC2 ZINC000127033382 835340423 /nfs/dbraw/zinc/34/04/23/835340423.db2.gz AEMAYQMPEBMSLQ-UHFFFAOYSA-N 1 2 390.512 3.977 20 30 GHEDLO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCc3c4ccccc4[nH]c3C1)CCC2 ZINC000127033382 835340430 /nfs/dbraw/zinc/34/04/30/835340430.db2.gz AEMAYQMPEBMSLQ-UHFFFAOYSA-N 1 2 390.512 3.977 20 30 GHEDLO CC(C)Oc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1C#N ZINC000157714000 835452486 /nfs/dbraw/zinc/45/24/86/835452486.db2.gz GPSMYVUASVQZDV-UHFFFAOYSA-N 1 2 379.464 3.662 20 30 GHEDLO CON=Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000255583638 835519628 /nfs/dbraw/zinc/51/96/28/835519628.db2.gz RWWSNCFRNOYGJU-OALUTQOASA-N 1 2 389.858 3.635 20 30 GHEDLO CON=Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000255583638 835519632 /nfs/dbraw/zinc/51/96/32/835519632.db2.gz RWWSNCFRNOYGJU-OALUTQOASA-N 1 2 389.858 3.635 20 30 GHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1C#N ZINC000428749480 844062968 /nfs/dbraw/zinc/06/29/68/844062968.db2.gz IHHUAVYUQWUJCK-NQIIRXRSSA-N 1 2 398.457 3.881 20 30 GHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1C#N ZINC000428749480 844062977 /nfs/dbraw/zinc/06/29/77/844062977.db2.gz IHHUAVYUQWUJCK-NQIIRXRSSA-N 1 2 398.457 3.881 20 30 GHEDLO N#Cc1c(NC(=O)C[NH+]2CCC([C@H]3CCOC3)CC2)sc2c1CCCCC2 ZINC000612130315 835579516 /nfs/dbraw/zinc/57/95/16/835579516.db2.gz CHSDZPXXQVQNSC-INIZCTEOSA-N 1 2 387.549 3.576 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@](C)(C#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000612148422 835681179 /nfs/dbraw/zinc/68/11/79/835681179.db2.gz IIUNWPGUBGCXPM-BJLQDIEVSA-N 1 2 392.906 3.950 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@](C)(C#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000612148422 835681183 /nfs/dbraw/zinc/68/11/83/835681183.db2.gz IIUNWPGUBGCXPM-BJLQDIEVSA-N 1 2 392.906 3.950 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)c(C#N)c1C ZINC000179632098 835902747 /nfs/dbraw/zinc/90/27/47/835902747.db2.gz JKZCYVVTWOEHNK-HOTGVXAUSA-N 1 2 398.482 3.613 20 30 GHEDLO Cc1ccc(C#N)cc1NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000179755439 835967777 /nfs/dbraw/zinc/96/77/77/835967777.db2.gz LSMYKBGKXROJOL-UXHICEINSA-N 1 2 398.894 3.714 20 30 GHEDLO Cc1ccc(C#N)cc1NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000179755439 835967780 /nfs/dbraw/zinc/96/77/80/835967780.db2.gz LSMYKBGKXROJOL-UXHICEINSA-N 1 2 398.894 3.714 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc(C#N)cc(N(C)C)c3)n2)C1 ZINC000432882067 844113287 /nfs/dbraw/zinc/11/32/87/844113287.db2.gz VVDSKSQGBMPWOB-CQSZACIVSA-N 1 2 383.521 3.565 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc(C#N)cc(N(C)C)c3)n2)C1 ZINC000432882067 844113291 /nfs/dbraw/zinc/11/32/91/844113291.db2.gz VVDSKSQGBMPWOB-CQSZACIVSA-N 1 2 383.521 3.565 20 30 GHEDLO CCOc1cc(C[N@@H+]2CCC[C@](C)(C#N)C2)ccc1OCC(=O)N1CCCCC1 ZINC000612406944 836185788 /nfs/dbraw/zinc/18/57/88/836185788.db2.gz XXIHIDXLENIRBB-HSZRJFAPSA-N 1 2 399.535 3.602 20 30 GHEDLO CCOc1cc(C[N@H+]2CCC[C@](C)(C#N)C2)ccc1OCC(=O)N1CCCCC1 ZINC000612406944 836185793 /nfs/dbraw/zinc/18/57/93/836185793.db2.gz XXIHIDXLENIRBB-HSZRJFAPSA-N 1 2 399.535 3.602 20 30 GHEDLO N#Cc1ccc(C[C@@H](C#N)c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)cc1 ZINC000589091526 838309678 /nfs/dbraw/zinc/30/96/78/838309678.db2.gz XVCRYNHAYHYERU-FQEVSTJZSA-N 1 2 380.411 3.703 20 30 GHEDLO C[C@H](NC(=O)Nc1ccccc1OCCn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000610324132 838451554 /nfs/dbraw/zinc/45/15/54/838451554.db2.gz VZAPPPPYJPIQCK-INIZCTEOSA-N 1 2 375.432 3.716 20 30 GHEDLO N#CCOc1ccc(CC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)cc1 ZINC000378277701 838750968 /nfs/dbraw/zinc/75/09/68/838750968.db2.gz PCXIOAROBAHJFQ-UHFFFAOYSA-N 1 2 384.439 3.685 20 30 GHEDLO CNC(=O)C[N@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccc(C#N)cc1C ZINC000614403469 844439281 /nfs/dbraw/zinc/43/92/81/844439281.db2.gz AMDSSJSHBGVNEF-UHFFFAOYSA-N 1 2 375.394 3.634 20 30 GHEDLO CNC(=O)C[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccc(C#N)cc1C ZINC000614403469 844439289 /nfs/dbraw/zinc/43/92/89/844439289.db2.gz AMDSSJSHBGVNEF-UHFFFAOYSA-N 1 2 375.394 3.634 20 30 GHEDLO NC(Cc1cccnc1)=[NH+]OCc1coc(-c2ccc(Br)cc2)n1 ZINC000122414242 839528118 /nfs/dbraw/zinc/52/81/18/839528118.db2.gz GPGZAHWYRODMRR-UHFFFAOYSA-N 1 2 387.237 3.531 20 30 GHEDLO N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1F ZINC000119118916 839581073 /nfs/dbraw/zinc/58/10/73/839581073.db2.gz RPWCEOLTZSZOHV-CQSZACIVSA-N 1 2 376.391 3.887 20 30 GHEDLO N#Cc1ccc(-c2nnc(C[NH+]3CCC(Oc4cncc(Cl)c4)CC3)o2)cc1 ZINC000579793636 840051423 /nfs/dbraw/zinc/05/14/23/840051423.db2.gz XNLOPNIIFLUTCS-UHFFFAOYSA-N 1 2 395.850 3.700 20 30 GHEDLO Cc1nc(SCC(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c(C#N)c(C)c1C ZINC000162715600 840226261 /nfs/dbraw/zinc/22/62/61/840226261.db2.gz YTRSOFXDFGDAOG-UHFFFAOYSA-N 1 2 377.473 3.999 20 30 GHEDLO CCOc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000048142684 840296863 /nfs/dbraw/zinc/29/68/63/840296863.db2.gz UJNRAPQFRFMFNP-UHFFFAOYSA-N 1 2 378.476 3.615 20 30 GHEDLO C[NH+](C)C1CCN(c2ccc(N=Cc3cc([N+](=O)[O-])ccc3O)cc2F)CC1 ZINC000255292674 841114089 /nfs/dbraw/zinc/11/40/89/841114089.db2.gz LMBCIAXJSDXPSR-UHFFFAOYSA-N 1 2 386.427 3.721 20 30 GHEDLO Cc1cccc(O[C@@H](C)C(=O)N2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000584522598 841364353 /nfs/dbraw/zinc/36/43/53/841364353.db2.gz RDTGMQAYYZYMOG-MOPGFXCFSA-N 1 2 377.488 3.539 20 30 GHEDLO N#Cc1cccc(OCCC[N@H+]2CCc3c(ncn3-c3ccc(F)cc3)C2)c1 ZINC000510438394 841817667 /nfs/dbraw/zinc/81/76/67/841817667.db2.gz QJVNITHBTCQYAQ-UHFFFAOYSA-N 1 2 376.435 3.710 20 30 GHEDLO N#Cc1cccc(OCCC[N@@H+]2CCc3c(ncn3-c3ccc(F)cc3)C2)c1 ZINC000510438394 841817680 /nfs/dbraw/zinc/81/76/80/841817680.db2.gz QJVNITHBTCQYAQ-UHFFFAOYSA-N 1 2 376.435 3.710 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000125510738 841970220 /nfs/dbraw/zinc/97/02/20/841970220.db2.gz JOUCHYBUQLEZHJ-UHFFFAOYSA-N 1 2 375.900 3.964 20 30 GHEDLO N#Cc1cc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)ccc1OCC(F)(F)F ZINC000429110885 861290289 /nfs/dbraw/zinc/29/02/89/861290289.db2.gz RIVLMZPBIWSKII-UHFFFAOYSA-N 1 2 393.369 3.634 20 30 GHEDLO CC(C)OCC[NH+]1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000182088729 842733332 /nfs/dbraw/zinc/73/33/32/842733332.db2.gz HNZKTDYZZMVVCW-UHFFFAOYSA-N 1 2 393.487 3.533 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N1CCSc2ccccc21 ZINC000512179411 842776641 /nfs/dbraw/zinc/77/66/41/842776641.db2.gz MDXUPPDUOJDXPQ-INIZCTEOSA-N 1 2 386.517 3.677 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N1CCSc2ccccc21 ZINC000512179411 842776654 /nfs/dbraw/zinc/77/66/54/842776654.db2.gz MDXUPPDUOJDXPQ-INIZCTEOSA-N 1 2 386.517 3.677 20 30 GHEDLO N#Cc1ccc(C2CCN(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)CC2)cc1 ZINC000891741925 842790095 /nfs/dbraw/zinc/79/00/95/842790095.db2.gz VADMGWWSXSYBAD-UHFFFAOYSA-N 1 2 389.503 3.643 20 30 GHEDLO N#CCC1(CNC(=O)N2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000431043347 843499331 /nfs/dbraw/zinc/49/93/31/843499331.db2.gz CLNMKWYKXKBBPW-UHFFFAOYSA-N 1 2 395.334 3.557 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cccc(C#N)c2C)[C@H](C)C1 ZINC000510806361 843514506 /nfs/dbraw/zinc/51/45/06/843514506.db2.gz JFBZKMNMPVSJFG-QGZVFWFLSA-N 1 2 377.488 3.612 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cccc(C#N)c2C)[C@H](C)C1 ZINC000510806361 843514514 /nfs/dbraw/zinc/51/45/14/843514514.db2.gz JFBZKMNMPVSJFG-QGZVFWFLSA-N 1 2 377.488 3.612 20 30 GHEDLO Cc1cc(Br)ccc1[C@H]1CCC[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000599637809 861432815 /nfs/dbraw/zinc/43/28/15/861432815.db2.gz VRMMWKJJRLQLJW-MJGOQNOKSA-N 1 2 390.325 3.703 20 30 GHEDLO Cc1cc(Br)ccc1[C@H]1CCC[N@@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000599637809 861432808 /nfs/dbraw/zinc/43/28/08/861432808.db2.gz VRMMWKJJRLQLJW-MJGOQNOKSA-N 1 2 390.325 3.703 20 30 GHEDLO CC(C)c1ccc(S(=O)(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000024713281 843605840 /nfs/dbraw/zinc/60/58/40/843605840.db2.gz JDNNVKLBZCXWNN-UHFFFAOYSA-N 1 2 397.544 3.578 20 30 GHEDLO CC(C)c1ccc(S(=O)(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000024713281 843605842 /nfs/dbraw/zinc/60/58/42/843605842.db2.gz JDNNVKLBZCXWNN-UHFFFAOYSA-N 1 2 397.544 3.578 20 30 GHEDLO N#C[C@H](C(=O)C[N@H+](C1CC1)[C@H]1CCc2ccccc21)c1nc2ccccc2c(=O)[nH]1 ZINC000728913610 843653088 /nfs/dbraw/zinc/65/30/88/843653088.db2.gz DFMSXORBZWLOLP-CTNGQTDRSA-N 1 2 398.466 3.664 20 30 GHEDLO N#C[C@H](C(=O)C[N@@H+](C1CC1)[C@H]1CCc2ccccc21)c1nc2ccccc2c(=O)[nH]1 ZINC000728913610 843653090 /nfs/dbraw/zinc/65/30/90/843653090.db2.gz DFMSXORBZWLOLP-CTNGQTDRSA-N 1 2 398.466 3.664 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCc3c(O)cccc3C2)c1 ZINC000599649193 861446240 /nfs/dbraw/zinc/44/62/40/861446240.db2.gz YQLMMGXKKVYFFX-SFHVURJKSA-N 1 2 377.488 3.703 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCc3c(O)cccc3C2)c1 ZINC000599649193 861446244 /nfs/dbraw/zinc/44/62/44/861446244.db2.gz YQLMMGXKKVYFFX-SFHVURJKSA-N 1 2 377.488 3.703 20 30 GHEDLO COc1ccc([C@@H]([NH2+][C@@H](C)C(=O)NC2(C#N)CCCCC2)c2ccco2)cc1 ZINC000419286079 843863253 /nfs/dbraw/zinc/86/32/53/843863253.db2.gz NSWIOPRSBLYAJJ-OXJNMPFZSA-N 1 2 381.476 3.698 20 30 GHEDLO Cc1cccnc1C[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000181440416 844989411 /nfs/dbraw/zinc/98/94/11/844989411.db2.gz YWANPEBZXFTCHW-LJQANCHMSA-N 1 2 385.309 3.535 20 30 GHEDLO C#CC[C@@H](NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000279975744 845139996 /nfs/dbraw/zinc/13/99/96/845139996.db2.gz JJHCRHCBYRHYIT-OAQYLSRUSA-N 1 2 376.504 3.873 20 30 GHEDLO C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccccc1N1CCCC1 ZINC000131636381 861536616 /nfs/dbraw/zinc/53/66/16/861536616.db2.gz BQBJBPJOSAGEEN-UHFFFAOYSA-N 1 2 382.895 3.882 20 30 GHEDLO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccccc1N1CCCC1 ZINC000131636381 861536631 /nfs/dbraw/zinc/53/66/31/861536631.db2.gz BQBJBPJOSAGEEN-UHFFFAOYSA-N 1 2 382.895 3.882 20 30 GHEDLO COc1ccccc1O[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000513419321 845387731 /nfs/dbraw/zinc/38/77/31/845387731.db2.gz GWCOVCKYXLKQPZ-KRWDZBQOSA-N 1 2 399.878 3.702 20 30 GHEDLO COc1ccccc1O[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000513419321 845387734 /nfs/dbraw/zinc/38/77/34/845387734.db2.gz GWCOVCKYXLKQPZ-KRWDZBQOSA-N 1 2 399.878 3.702 20 30 GHEDLO COC(=O)c1ccc(COc2ccc(C[N@@H+]3CCC[C@](C)(C#N)C3)cc2OC)o1 ZINC000614248059 845416990 /nfs/dbraw/zinc/41/69/90/845416990.db2.gz YGHGXNPIAOYRBZ-JOCHJYFZSA-N 1 2 398.459 3.779 20 30 GHEDLO COC(=O)c1ccc(COc2ccc(C[N@H+]3CCC[C@](C)(C#N)C3)cc2OC)o1 ZINC000614248059 845416994 /nfs/dbraw/zinc/41/69/94/845416994.db2.gz YGHGXNPIAOYRBZ-JOCHJYFZSA-N 1 2 398.459 3.779 20 30 GHEDLO Cc1oc(NC(=O)C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)c(C#N)c1C ZINC000156718602 845619506 /nfs/dbraw/zinc/61/95/06/845619506.db2.gz XJBSEFROGAFMIT-LJQANCHMSA-N 1 2 393.443 3.535 20 30 GHEDLO Cc1oc(NC(=O)C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)c(C#N)c1C ZINC000156718602 845619512 /nfs/dbraw/zinc/61/95/12/845619512.db2.gz XJBSEFROGAFMIT-LJQANCHMSA-N 1 2 393.443 3.535 20 30 GHEDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502548415 846186182 /nfs/dbraw/zinc/18/61/82/846186182.db2.gz KUDVMLGMBPAAFH-UHFFFAOYSA-N 1 2 376.416 3.503 20 30 GHEDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502548415 846186187 /nfs/dbraw/zinc/18/61/87/846186187.db2.gz KUDVMLGMBPAAFH-UHFFFAOYSA-N 1 2 376.416 3.503 20 30 GHEDLO N#Cc1cccc(COc2cccc(C[N@H+]3Cc4ccccc4C[C@H]3C(N)=O)c2)c1 ZINC000119834496 846364903 /nfs/dbraw/zinc/36/49/03/846364903.db2.gz YGXHTHMXIOMZPJ-DEOSSOPVSA-N 1 2 397.478 3.549 20 30 GHEDLO N#Cc1cccc(COc2cccc(C[N@@H+]3Cc4ccccc4C[C@H]3C(N)=O)c2)c1 ZINC000119834496 846364912 /nfs/dbraw/zinc/36/49/12/846364912.db2.gz YGXHTHMXIOMZPJ-DEOSSOPVSA-N 1 2 397.478 3.549 20 30 GHEDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N[C@@H]1c2ccccc2C[C@H]1O ZINC000329574350 861693159 /nfs/dbraw/zinc/69/31/59/861693159.db2.gz ARJJIZHMKDCYHT-NHCUHLMSSA-N 1 2 388.471 3.680 20 30 GHEDLO COc1cc(NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(F)cc1C#N ZINC000599812691 861709835 /nfs/dbraw/zinc/70/98/35/861709835.db2.gz PRNWRRVWAALZIA-CQSZACIVSA-N 1 2 397.454 3.650 20 30 GHEDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000329600143 861745121 /nfs/dbraw/zinc/74/51/21/861745121.db2.gz DWPWWHINKNSYES-MSOLQXFVSA-N 1 2 380.492 3.790 20 30 GHEDLO CCOc1ccc(C#N)cc1NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000183759900 847036473 /nfs/dbraw/zinc/03/64/73/847036473.db2.gz FTQGGCIQMWZKKD-OAHLLOKOSA-N 1 2 384.505 3.929 20 30 GHEDLO C#CCOc1ccc(F)cc1NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000152975139 847871081 /nfs/dbraw/zinc/87/10/81/847871081.db2.gz UMQIRLSFWAAGOQ-UHFFFAOYSA-N 1 2 383.448 3.666 20 30 GHEDLO [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000329637927 861858976 /nfs/dbraw/zinc/85/89/76/861858976.db2.gz YVTBUVJHSSBASK-PXAZEXFGSA-N 1 2 395.290 3.561 20 30 GHEDLO [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000329637927 861858994 /nfs/dbraw/zinc/85/89/94/861858994.db2.gz YVTBUVJHSSBASK-PXAZEXFGSA-N 1 2 395.290 3.561 20 30 GHEDLO C[N@H+](Cc1cscn1)Cc1cccc(Nc2ncc([N+](=O)[O-])cc2C#N)c1 ZINC000732052788 862061148 /nfs/dbraw/zinc/06/11/48/862061148.db2.gz BBZAGWNIYWRWES-UHFFFAOYSA-N 1 2 380.433 3.694 20 30 GHEDLO C[N@@H+](Cc1cscn1)Cc1cccc(Nc2ncc([N+](=O)[O-])cc2C#N)c1 ZINC000732052788 862061167 /nfs/dbraw/zinc/06/11/67/862061167.db2.gz BBZAGWNIYWRWES-UHFFFAOYSA-N 1 2 380.433 3.694 20 30 GHEDLO C=CCOc1ccccc1-c1nc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000504215349 849973578 /nfs/dbraw/zinc/97/35/78/849973578.db2.gz ISJZYLSWKTYVHG-FQEVSTJZSA-N 1 2 377.444 3.875 20 30 GHEDLO C=CCOc1ccccc1-c1nc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000504215349 849973583 /nfs/dbraw/zinc/97/35/83/849973583.db2.gz ISJZYLSWKTYVHG-FQEVSTJZSA-N 1 2 377.444 3.875 20 30 GHEDLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc(CC#N)c1 ZINC000439812014 850445020 /nfs/dbraw/zinc/44/50/20/850445020.db2.gz WCRIHJBJXAPYQO-FDDCHVKYSA-N 1 2 390.531 3.829 20 30 GHEDLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cccc(CC#N)c1 ZINC000439812014 850445023 /nfs/dbraw/zinc/44/50/23/850445023.db2.gz WCRIHJBJXAPYQO-FDDCHVKYSA-N 1 2 390.531 3.829 20 30 GHEDLO CC(C)(C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1cc(F)cc(C#N)c1 ZINC000505217656 850729961 /nfs/dbraw/zinc/72/99/61/850729961.db2.gz DRPOUCXKUSEHDA-UHFFFAOYSA-N 1 2 376.435 3.536 20 30 GHEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000425420758 851005046 /nfs/dbraw/zinc/00/50/46/851005046.db2.gz LLJNCVKTKLQXMI-GOSISDBHSA-N 1 2 387.487 3.748 20 30 GHEDLO Cc1cc(OCC[N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)ccc1C(C)C ZINC000513974585 851066003 /nfs/dbraw/zinc/06/60/03/851066003.db2.gz PVWPFDQYJFVDJW-KOSHJBKYSA-N 1 2 389.499 3.843 20 30 GHEDLO Cc1cc(OCC[N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)ccc1C(C)C ZINC000513974585 851066017 /nfs/dbraw/zinc/06/60/17/851066017.db2.gz PVWPFDQYJFVDJW-KOSHJBKYSA-N 1 2 389.499 3.843 20 30 GHEDLO N#Cc1cnc2c(F)cc(F)cc2c1NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000488307797 851396096 /nfs/dbraw/zinc/39/60/96/851396096.db2.gz SIJRQXCECWEIHG-FQEVSTJZSA-N 1 2 394.425 3.870 20 30 GHEDLO N#Cc1cccc(COc2cccc(CN3CC[NH+](Cc4ccncc4)CC3)c2)c1 ZINC000192966428 852195445 /nfs/dbraw/zinc/19/54/45/852195445.db2.gz NAROPYWYFQXBED-UHFFFAOYSA-N 1 2 398.510 3.850 20 30 GHEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H]2CCCN(C3CCCCC3)C2=O)c1 ZINC000329829100 862353477 /nfs/dbraw/zinc/35/34/77/862353477.db2.gz JPYHOYYFXQVERY-IBGZPJMESA-N 1 2 380.492 3.809 20 30 GHEDLO Cc1sc(NC(=O)C[NH+]2CCC(COc3ccccc3)CC2)c(C#N)c1C ZINC000426995727 852599568 /nfs/dbraw/zinc/59/95/68/852599568.db2.gz TVGRVTOXSRXKOW-UHFFFAOYSA-N 1 2 383.517 3.966 20 30 GHEDLO N#Cc1csc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)c1 ZINC000507167620 852618181 /nfs/dbraw/zinc/61/81/81/852618181.db2.gz NAJUAPIATFRAIW-UHFFFAOYSA-N 1 2 376.323 3.700 20 30 GHEDLO CCC[C@@H](NC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2C#N)CC1)c1ccccc1 ZINC000507292047 852765041 /nfs/dbraw/zinc/76/50/41/852765041.db2.gz KEJXSCUOHKVRJO-DENIHFKCSA-N 1 2 390.531 3.726 20 30 GHEDLO CCC[C@H](NC(=O)[C@H](C)[NH+]1CCN(c2ccccc2C#N)CC1)c1ccccc1 ZINC000507292050 852765117 /nfs/dbraw/zinc/76/51/17/852765117.db2.gz KEJXSCUOHKVRJO-UGKGYDQZSA-N 1 2 390.531 3.726 20 30 GHEDLO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)cs2)[C@H]1c1ccc(F)c(F)c1 ZINC000490276579 852887669 /nfs/dbraw/zinc/88/76/69/852887669.db2.gz SHFSJMZRBDDCHE-SJLPKXTDSA-N 1 2 375.444 3.852 20 30 GHEDLO CC(C)[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)cs2)[C@H]1c1ccc(F)c(F)c1 ZINC000490276579 852887672 /nfs/dbraw/zinc/88/76/72/852887672.db2.gz SHFSJMZRBDDCHE-SJLPKXTDSA-N 1 2 375.444 3.852 20 30 GHEDLO N#Cc1cc(Oc2ccc(NC(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)cc2)ccn1 ZINC000516897212 853139521 /nfs/dbraw/zinc/13/95/21/853139521.db2.gz HMYDDNMRILOXGO-HNNXBMFYSA-N 1 2 388.431 3.880 20 30 GHEDLO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000129400789 853259913 /nfs/dbraw/zinc/25/99/13/853259913.db2.gz FHMRISKNBDNWEP-JOCHJYFZSA-N 1 2 388.471 3.523 20 30 GHEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000518433399 853340351 /nfs/dbraw/zinc/34/03/51/853340351.db2.gz OXHBCYRSGGILBX-UHFFFAOYSA-N 1 2 382.851 3.910 20 30 GHEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000518433399 853340355 /nfs/dbraw/zinc/34/03/55/853340355.db2.gz OXHBCYRSGGILBX-UHFFFAOYSA-N 1 2 382.851 3.910 20 30 GHEDLO COc1cc(OC)c2ncc(C#N)c(NCCCCNc3cccc[nH+]3)c2c1 ZINC000439172383 853368416 /nfs/dbraw/zinc/36/84/16/853368416.db2.gz USYKLXDEZTVOQB-UHFFFAOYSA-N 1 2 377.448 3.823 20 30 GHEDLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1coc(C2CCOCC2)n1 ZINC000329965539 862464185 /nfs/dbraw/zinc/46/41/85/862464185.db2.gz REYVBWKFMMSCJD-UHFFFAOYSA-N 1 2 376.482 3.647 20 30 GHEDLO COCC[N@H+](Cc1cn2ccc(Br)cc2n1)Cc1ccc(C#N)cc1 ZINC000557543480 862486454 /nfs/dbraw/zinc/48/64/54/862486454.db2.gz SMUOMPGNXITRHG-UHFFFAOYSA-N 1 2 399.292 3.617 20 30 GHEDLO COCC[N@@H+](Cc1cn2ccc(Br)cc2n1)Cc1ccc(C#N)cc1 ZINC000557543480 862486460 /nfs/dbraw/zinc/48/64/60/862486460.db2.gz SMUOMPGNXITRHG-UHFFFAOYSA-N 1 2 399.292 3.617 20 30 GHEDLO N#Cc1cnn2cc(C[N@@H+](Cc3csc(Br)c3)C3CC3)cnc12 ZINC000571562897 853949737 /nfs/dbraw/zinc/94/97/37/853949737.db2.gz BMMDPOIEKOZGLT-UHFFFAOYSA-N 1 2 388.294 3.590 20 30 GHEDLO N#Cc1cnn2cc(C[N@H+](Cc3csc(Br)c3)C3CC3)cnc12 ZINC000571562897 853949740 /nfs/dbraw/zinc/94/97/40/853949740.db2.gz BMMDPOIEKOZGLT-UHFFFAOYSA-N 1 2 388.294 3.590 20 30 GHEDLO CN(CC1(O)CCCC1)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000328655471 854491735 /nfs/dbraw/zinc/49/17/35/854491735.db2.gz MVUOYUGHZJFEQH-QGZVFWFLSA-N 1 2 397.922 3.767 20 30 GHEDLO CO[C@@]1(C)C[C@@H](NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1(C)C ZINC000328831760 854565752 /nfs/dbraw/zinc/56/57/52/854565752.db2.gz VFBXPWODWHSLMI-GCJKJVERSA-N 1 2 380.492 3.941 20 30 GHEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)Cn1c2ccccc2nc1C1CCCCC1 ZINC000328894169 854599730 /nfs/dbraw/zinc/59/97/30/854599730.db2.gz UTHOEBVUWSVHBB-KRWDZBQOSA-N 1 2 384.524 3.761 20 30 GHEDLO C[C@H]1COCC[N@H+]1CCNC(=O)Cn1c2ccccc2nc1C1CCCCC1 ZINC000328894169 854599736 /nfs/dbraw/zinc/59/97/36/854599736.db2.gz UTHOEBVUWSVHBB-KRWDZBQOSA-N 1 2 384.524 3.761 20 30 GHEDLO CCO[C@@H]1C[C@@H](NC(=O)c2ccccc2C[NH+]2CCOCC2)C12CCCCC2 ZINC000330138266 862606009 /nfs/dbraw/zinc/60/60/09/862606009.db2.gz VKTSWVFOWMRZFD-NHCUHLMSSA-N 1 2 386.536 3.951 20 30 GHEDLO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000186280997 854828003 /nfs/dbraw/zinc/82/80/03/854828003.db2.gz ZUZVGOMRSNDXGS-HNNXBMFYSA-N 1 2 379.489 3.549 20 30 GHEDLO N#Cc1cccc(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000589404677 854836533 /nfs/dbraw/zinc/83/65/33/854836533.db2.gz FAKJQQYMLJEMLW-UHFFFAOYSA-N 1 2 389.286 3.654 20 30 GHEDLO O=C(N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000330162160 862625903 /nfs/dbraw/zinc/62/59/03/862625903.db2.gz UHVZLSBECCTYAT-ZIAGYGMSSA-N 1 2 378.398 3.700 20 30 GHEDLO N#Cc1cc(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)ccc1F ZINC000473992793 855556706 /nfs/dbraw/zinc/55/67/06/855556706.db2.gz FGBOUWRNEASCRA-VQTJNVASSA-N 1 2 375.407 3.944 20 30 GHEDLO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000465687684 855589629 /nfs/dbraw/zinc/58/96/29/855589629.db2.gz HRWNOHIRGMPLCP-LEWJYISDSA-N 1 2 389.503 3.532 20 30 GHEDLO N#Cc1cccc(Sc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2)n1 ZINC000301860173 855771085 /nfs/dbraw/zinc/77/10/85/855771085.db2.gz SWFSSCXFWPEZRE-UHFFFAOYSA-N 1 2 376.489 3.671 20 30 GHEDLO C[N@@H+]1CCO[C@H]([C@H](Nc2ccc(Cl)c(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000301852037 855771148 /nfs/dbraw/zinc/77/11/48/855771148.db2.gz AVBZZQWMSJKXAC-FUHWJXTLSA-N 1 2 377.275 3.744 20 30 GHEDLO C[N@H+]1CCO[C@H]([C@H](Nc2ccc(Cl)c(C#N)n2)c2ccc(Cl)cc2)C1 ZINC000301852037 855771153 /nfs/dbraw/zinc/77/11/53/855771153.db2.gz AVBZZQWMSJKXAC-FUHWJXTLSA-N 1 2 377.275 3.744 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(Cc3coc(-c4cccc(F)c4)n3)CC2)cc1 ZINC000045735662 855851077 /nfs/dbraw/zinc/85/10/77/855851077.db2.gz LWNGTLNORDZXHS-UHFFFAOYSA-N 1 2 376.435 3.670 20 30 GHEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000109356898 856284117 /nfs/dbraw/zinc/28/41/17/856284117.db2.gz XBWUWIWGXZLOGH-FQEVSTJZSA-N 1 2 389.434 3.659 20 30 GHEDLO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000109356898 856284128 /nfs/dbraw/zinc/28/41/28/856284128.db2.gz XBWUWIWGXZLOGH-FQEVSTJZSA-N 1 2 389.434 3.659 20 30 GHEDLO Cc1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc1OCc1cccc(Cl)c1 ZINC000591774923 856293892 /nfs/dbraw/zinc/29/38/92/856293892.db2.gz WSFMIMWOUYSNHK-HXUWFJFHSA-N 1 2 387.911 3.846 20 30 GHEDLO Cc1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1OCc1cccc(Cl)c1 ZINC000591774923 856293899 /nfs/dbraw/zinc/29/38/99/856293899.db2.gz WSFMIMWOUYSNHK-HXUWFJFHSA-N 1 2 387.911 3.846 20 30 GHEDLO CC(C)Cc1ccc(C(=O)C2CC[NH+](CC(=O)N[C@](C)(C#N)C3CC3)CC2)cc1 ZINC000046087246 856512263 /nfs/dbraw/zinc/51/22/63/856512263.db2.gz DIUDAMMCUXHPGH-XMMPIXPASA-N 1 2 395.547 3.588 20 30 GHEDLO C=CCSc1ccccc1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000485459579 856588505 /nfs/dbraw/zinc/58/85/05/856588505.db2.gz CFXLRWDWDAKNRK-UHFFFAOYSA-N 1 2 382.529 3.727 20 30 GHEDLO N#CCc1ccc(NC(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)cc1 ZINC000111715035 856986855 /nfs/dbraw/zinc/98/68/55/856986855.db2.gz FEUNZMIURFGCFU-KRWDZBQOSA-N 1 2 384.430 3.817 20 30 GHEDLO N#CCc1ccc(NC(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)cc1 ZINC000111715035 856986864 /nfs/dbraw/zinc/98/68/64/856986864.db2.gz FEUNZMIURFGCFU-KRWDZBQOSA-N 1 2 384.430 3.817 20 30 GHEDLO N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000427996406 856988897 /nfs/dbraw/zinc/98/88/97/856988897.db2.gz YYMHKRKABCRGRQ-QGZVFWFLSA-N 1 2 392.846 3.945 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCC[C@@H](OC(C)C)C2)c1C#N ZINC000593055998 857205714 /nfs/dbraw/zinc/20/57/14/857205714.db2.gz WXGBVNLIDNGMPP-LJQANCHMSA-N 1 2 386.540 3.920 20 30 GHEDLO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@@H](OC(C)C)C2)c1C#N ZINC000593055998 857205725 /nfs/dbraw/zinc/20/57/25/857205725.db2.gz WXGBVNLIDNGMPP-LJQANCHMSA-N 1 2 386.540 3.920 20 30 GHEDLO N#Cc1csc(C[NH2+][C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)n1 ZINC000574066410 857208099 /nfs/dbraw/zinc/20/80/99/857208099.db2.gz FXAPZSJIAQHZFY-OAHLLOKOSA-N 1 2 390.468 3.702 20 30 GHEDLO COc1cccc(F)c1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000174221645 857228590 /nfs/dbraw/zinc/22/85/90/857228590.db2.gz LFYCYFCXLPFXAY-NEPJUHHUSA-N 1 2 387.480 3.934 20 30 GHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000246774952 857457316 /nfs/dbraw/zinc/45/73/16/857457316.db2.gz QPROQXMJMDCFRC-YLJYHZDGSA-N 1 2 395.528 3.987 20 30 GHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000246774952 857457320 /nfs/dbraw/zinc/45/73/20/857457320.db2.gz QPROQXMJMDCFRC-YLJYHZDGSA-N 1 2 395.528 3.987 20 30 GHEDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2nc(Cl)c(C#N)s2)CC1 ZINC000888417969 857518655 /nfs/dbraw/zinc/51/86/55/857518655.db2.gz ULJMADSWXUGBTG-JTQLQIEISA-N 1 2 381.914 3.640 20 30 GHEDLO C=C(C)CCNC(=O)c1cccnc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001129080427 857636520 /nfs/dbraw/zinc/63/65/20/857636520.db2.gz LKWHIHNYCZYSPW-UHFFFAOYSA-N 1 2 398.938 3.753 20 30 GHEDLO N#CCc1ccccc1CC(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC000907814855 857789657 /nfs/dbraw/zinc/78/96/57/857789657.db2.gz HRUNQJKYIQXYBV-LJQANCHMSA-N 1 2 376.504 3.740 20 30 GHEDLO N#CCc1ccccc1CC(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC000907814855 857789662 /nfs/dbraw/zinc/78/96/62/857789662.db2.gz HRUNQJKYIQXYBV-LJQANCHMSA-N 1 2 376.504 3.740 20 30 GHEDLO Cc1cc(C(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)nn1-c1cccc(C#N)c1 ZINC001129230937 857940924 /nfs/dbraw/zinc/94/09/24/857940924.db2.gz UDZPNJCVNHYKHP-UHFFFAOYSA-N 1 2 396.454 3.919 20 30 GHEDLO Cc1c(NC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)cccc1C(F)(F)F ZINC000330332468 862972880 /nfs/dbraw/zinc/97/28/80/862972880.db2.gz OYAQJENXUGYCBC-WBMJQRKESA-N 1 2 382.386 3.994 20 30 GHEDLO COc1cc(C[N@H+](C)CC(=O)Nc2c(Cl)cccc2Cl)ccc1C#N ZINC000442795383 858138989 /nfs/dbraw/zinc/13/89/89/858138989.db2.gz FBOQYWWICDZDEP-UHFFFAOYSA-N 1 2 378.259 3.944 20 30 GHEDLO COc1cc(C[N@@H+](C)CC(=O)Nc2c(Cl)cccc2Cl)ccc1C#N ZINC000442795383 858138993 /nfs/dbraw/zinc/13/89/93/858138993.db2.gz FBOQYWWICDZDEP-UHFFFAOYSA-N 1 2 378.259 3.944 20 30 GHEDLO C=CCC[C@H](NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1)c1ccccc1 ZINC000443017008 858296837 /nfs/dbraw/zinc/29/68/37/858296837.db2.gz KGQVDUJTIKUIDG-FQEVSTJZSA-N 1 2 381.501 3.917 20 30 GHEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000575041552 858501369 /nfs/dbraw/zinc/50/13/69/858501369.db2.gz OZQWHAIOSUXXKU-OREJSRFESA-N 1 2 398.457 3.984 20 30 GHEDLO C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000575041552 858501373 /nfs/dbraw/zinc/50/13/73/858501373.db2.gz OZQWHAIOSUXXKU-OREJSRFESA-N 1 2 398.457 3.984 20 30 GHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@H](CC#N)C2)c1C#N ZINC000595613161 858630765 /nfs/dbraw/zinc/63/07/65/858630765.db2.gz AFBHWWMWIWFKAS-GOSISDBHSA-N 1 2 375.476 3.530 20 30 GHEDLO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CCC[C@H](CC#N)C2)c1C#N ZINC000595613161 858630771 /nfs/dbraw/zinc/63/07/71/858630771.db2.gz AFBHWWMWIWFKAS-GOSISDBHSA-N 1 2 375.476 3.530 20 30 GHEDLO Cc1ccc(S(=O)(=O)N[C@H](CC[N@@H+]2CC[C@@](C)(C#N)C2)c2ccccc2)cc1 ZINC000595842144 858692359 /nfs/dbraw/zinc/69/23/59/858692359.db2.gz XXKYKPGTSJVSMT-YADHBBJMSA-N 1 2 397.544 3.640 20 30 GHEDLO Cc1ccc(S(=O)(=O)N[C@H](CC[N@H+]2CC[C@@](C)(C#N)C2)c2ccccc2)cc1 ZINC000595842144 858692366 /nfs/dbraw/zinc/69/23/66/858692366.db2.gz XXKYKPGTSJVSMT-YADHBBJMSA-N 1 2 397.544 3.640 20 30 GHEDLO COc1ccc(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)cc1OCCCC#N ZINC000181926179 863057118 /nfs/dbraw/zinc/05/71/18/863057118.db2.gz NIHQCQALDRKFET-OAQYLSRUSA-N 1 2 380.488 3.821 20 30 GHEDLO COc1ccc(C[N@H+]2CCO[C@H](Cc3ccccc3)C2)cc1OCCCC#N ZINC000181926179 863057126 /nfs/dbraw/zinc/05/71/26/863057126.db2.gz NIHQCQALDRKFET-OAQYLSRUSA-N 1 2 380.488 3.821 20 30 GHEDLO N#Cc1nc(NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)sc1Cl ZINC000596109066 858796406 /nfs/dbraw/zinc/79/64/06/858796406.db2.gz DWIJEHOUSKFRDA-UHFFFAOYSA-N 1 2 399.907 3.822 20 30 GHEDLO C=CC[N@H+](Cc1ccn(-c2ccccc2)n1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000596211032 858816994 /nfs/dbraw/zinc/81/69/94/858816994.db2.gz LRLKHWJQEYJNMD-SFHVURJKSA-N 1 2 385.475 3.597 20 30 GHEDLO C=CC[N@@H+](Cc1ccn(-c2ccccc2)n1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000596211032 858816999 /nfs/dbraw/zinc/81/69/99/858816999.db2.gz LRLKHWJQEYJNMD-SFHVURJKSA-N 1 2 385.475 3.597 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](c2noc(CCc3ccc(C#N)cc3)n2)O1 ZINC000596614249 858968019 /nfs/dbraw/zinc/96/80/19/858968019.db2.gz SMELVXLEIYAOGP-DYESRHJHSA-N 1 2 388.471 3.688 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](c2noc(CCc3ccc(C#N)cc3)n2)O1 ZINC000596614249 858968025 /nfs/dbraw/zinc/96/80/25/858968025.db2.gz SMELVXLEIYAOGP-DYESRHJHSA-N 1 2 388.471 3.688 20 30 GHEDLO C=CCn1c(-c2ccco2)nn(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1=S ZINC000840112905 859196628 /nfs/dbraw/zinc/19/66/28/859196628.db2.gz CFLDSPYTTFTTRY-BBWFWOEESA-N 1 2 388.537 3.833 20 30 GHEDLO C=CCn1c(-c2ccco2)nn(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1=S ZINC000840112905 859196631 /nfs/dbraw/zinc/19/66/31/859196631.db2.gz CFLDSPYTTFTTRY-BBWFWOEESA-N 1 2 388.537 3.833 20 30 GHEDLO COc1cc(C[NH+]2CC(CC#N)C2)ccc1OCC(=O)Nc1ccccc1Cl ZINC000597194813 859333959 /nfs/dbraw/zinc/33/39/59/859333959.db2.gz YUKZIKQKVUZZBM-UHFFFAOYSA-N 1 2 399.878 3.712 20 30 GHEDLO C=CCOc1ccc(CC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)cc1 ZINC001129308118 859552609 /nfs/dbraw/zinc/55/26/09/859552609.db2.gz BZDNAAWTINSNIP-UHFFFAOYSA-N 1 2 381.863 3.949 20 30 GHEDLO N#Cc1cc(Cl)c(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c(Cl)c1 ZINC000611093150 859606801 /nfs/dbraw/zinc/60/68/01/859606801.db2.gz XKBIOKMREUXAGD-UHFFFAOYSA-N 1 2 375.259 3.790 20 30 GHEDLO CC(C)c1cc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)nc(C(C)C)[nH+]1 ZINC000611181590 859635326 /nfs/dbraw/zinc/63/53/26/859635326.db2.gz FRRMHFQIGLIUHX-UHFFFAOYSA-N 1 2 380.496 3.787 20 30 GHEDLO FC(F)C(F)(F)CN1CC[NH+](CCOc2ccccc2C(F)(F)F)CC1 ZINC000114491200 859640392 /nfs/dbraw/zinc/64/03/92/859640392.db2.gz AOHZMDYQUQJPMG-UHFFFAOYSA-N 1 2 388.327 3.602 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)c2cc3ccccc3n2CC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000611217866 859653692 /nfs/dbraw/zinc/65/36/92/859653692.db2.gz PWZDUAZMLWFTSU-RXVVDRJESA-N 1 2 394.425 3.618 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)c2cc3ccccc3n2CC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000611217866 859653701 /nfs/dbraw/zinc/65/37/01/859653701.db2.gz PWZDUAZMLWFTSU-RXVVDRJESA-N 1 2 394.425 3.618 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c1C#N ZINC000611347599 859723507 /nfs/dbraw/zinc/72/35/07/859723507.db2.gz HEWNKQVLAIMKTQ-OAQYLSRUSA-N 1 2 394.519 3.603 20 30 GHEDLO COC(=O)C(C)(C)[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1 ZINC000611404524 859738356 /nfs/dbraw/zinc/73/83/56/859738356.db2.gz DHBBRHMMVJJBKO-LJQANCHMSA-N 1 2 390.443 3.638 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@@H+](C)[C@@H]2CC[C@@H](SCC)C2)c1=S ZINC000765038183 859748118 /nfs/dbraw/zinc/74/81/18/859748118.db2.gz NMFPVAJIRVRCNE-HUUCEWRRSA-N 1 2 390.582 3.621 20 30 GHEDLO C=CCn1c(-c2cnccn2)nn(C[N@H+](C)[C@@H]2CC[C@@H](SCC)C2)c1=S ZINC000765038183 859748127 /nfs/dbraw/zinc/74/81/27/859748127.db2.gz NMFPVAJIRVRCNE-HUUCEWRRSA-N 1 2 390.582 3.621 20 30 GHEDLO COc1cc(C[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)ccc1SC ZINC000611552054 859809056 /nfs/dbraw/zinc/80/90/56/859809056.db2.gz NULVHJJJMDMIIV-IBGZPJMESA-N 1 2 385.508 3.939 20 30 GHEDLO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCCCn2cc[nH+]c2)cc1 ZINC000123515279 859988035 /nfs/dbraw/zinc/98/80/35/859988035.db2.gz RRTJFYKLAQZBSC-UHFFFAOYSA-N 1 2 391.431 3.767 20 30 GHEDLO CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000028154685 859990048 /nfs/dbraw/zinc/99/00/48/859990048.db2.gz KNIVQVCHANGBJI-UHFFFAOYSA-N 1 2 391.515 3.867 20 30 GHEDLO CCOc1ccc(C(C)=O)cc1C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000028154685 859990056 /nfs/dbraw/zinc/99/00/56/859990056.db2.gz KNIVQVCHANGBJI-UHFFFAOYSA-N 1 2 391.515 3.867 20 30 GHEDLO NC(=[NH+]OCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000727486490 860113430 /nfs/dbraw/zinc/11/34/30/860113430.db2.gz MITAUWSQBKPADQ-UHFFFAOYSA-N 1 2 389.736 3.774 20 30 GHEDLO CC(=O)N(c1nc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cs1)c1ccc(F)cc1F ZINC000602693320 860206816 /nfs/dbraw/zinc/20/68/16/860206816.db2.gz FRZGHJYTPVGXTP-GXTWGEPZSA-N 1 2 376.432 3.888 20 30 GHEDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCc3ccc(C#N)cc3F)c2C1 ZINC000170931602 860288395 /nfs/dbraw/zinc/28/83/95/860288395.db2.gz JPGNOJCCRCZYGQ-UHFFFAOYSA-N 1 2 388.446 3.554 20 30 GHEDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCc3ccc(C#N)cc3F)c2C1 ZINC000170931602 860288408 /nfs/dbraw/zinc/28/84/08/860288408.db2.gz JPGNOJCCRCZYGQ-UHFFFAOYSA-N 1 2 388.446 3.554 20 30 GHEDLO C[C@H]([NH2+][C@@H](CO)c1cccc(Cl)c1F)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000499963224 860324609 /nfs/dbraw/zinc/32/46/09/860324609.db2.gz IYLPFWQZCLSWBE-QFYYESIMSA-N 1 2 396.249 3.654 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](c3ccc4cccnc4n3)C2)c(C#N)c1C ZINC000602889938 860346504 /nfs/dbraw/zinc/34/65/04/860346504.db2.gz XHMCOMYDCQBAGK-WMLDXEAASA-N 1 2 389.459 3.528 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](c3ccc4cccnc4n3)C2)c(C#N)c1C ZINC000602889938 860346517 /nfs/dbraw/zinc/34/65/17/860346517.db2.gz XHMCOMYDCQBAGK-WMLDXEAASA-N 1 2 389.459 3.528 20 30 GHEDLO C=CCC(C)(C)c1noc([C@@H]([NH3+])c2ccccc2I)n1 ZINC000904725522 860568319 /nfs/dbraw/zinc/56/83/19/860568319.db2.gz ZBOPKSWCPFHBCX-LBPRGKRZSA-N 1 2 383.233 3.576 20 30 GHEDLO CC(=O)N1CC[N@H+](CC(=O)N[C@H](c2ccccc2)C2CC2)CC12CCCCC2 ZINC000329030490 860961542 /nfs/dbraw/zinc/96/15/42/860961542.db2.gz LFCBJMDAQVLWPQ-JOCHJYFZSA-N 1 2 383.536 3.961 20 30 GHEDLO CC(=O)N1CC[N@@H+](CC(=O)N[C@H](c2ccccc2)C2CC2)CC12CCCCC2 ZINC000329030490 860961559 /nfs/dbraw/zinc/96/15/59/860961559.db2.gz LFCBJMDAQVLWPQ-JOCHJYFZSA-N 1 2 383.536 3.961 20 30 GHEDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@@H+]1CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000329147530 861066735 /nfs/dbraw/zinc/06/67/35/861066735.db2.gz PBJKDDBMSNJJAQ-RTWAWAEBSA-N 1 2 396.535 3.834 20 30 GHEDLO Cc1nn(C)c(C)c1[C@@H]1COCC[N@H+]1CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000329147530 861066754 /nfs/dbraw/zinc/06/67/54/861066754.db2.gz PBJKDDBMSNJJAQ-RTWAWAEBSA-N 1 2 396.535 3.834 20 30 GHEDLO O=C(NC[C@@H]1CCO[C@H]1c1ccc(F)cc1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329153417 861073957 /nfs/dbraw/zinc/07/39/57/861073957.db2.gz UFKUDAGCLRWKBS-VDGAXYAQSA-N 1 2 376.472 3.503 20 30 GHEDLO O=C(NC[C@@H]1CCO[C@H]1c1ccc(F)cc1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329153417 861073967 /nfs/dbraw/zinc/07/39/67/861073967.db2.gz UFKUDAGCLRWKBS-VDGAXYAQSA-N 1 2 376.472 3.503 20 30 GHEDLO CCc1nc2cc(NC(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)ccc2o1 ZINC000522784688 863297434 /nfs/dbraw/zinc/29/74/34/863297434.db2.gz KHSQONBSXXYNFB-UHFFFAOYSA-N 1 2 389.459 3.612 20 30 GHEDLO N#Cc1ccc(C2([NH2+]Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)CCC2)cc1 ZINC000594033138 863802730 /nfs/dbraw/zinc/80/27/30/863802730.db2.gz WMUPMBGIMUHYSS-UHFFFAOYSA-N 1 2 375.388 3.685 20 30 GHEDLO CCCCOc1ccc(C=NOCC(=O)Nc2ccc3[nH+]ccn3c2)cc1OC ZINC000733969033 863894743 /nfs/dbraw/zinc/89/47/43/863894743.db2.gz ZPAQBWLSTPNBQQ-UHFFFAOYSA-N 1 2 396.447 3.511 20 30 GHEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CC(C)(C)c2cccs2)CC1=O ZINC000734022231 863930887 /nfs/dbraw/zinc/93/08/87/863930887.db2.gz ARXVXFYCRTWFCK-UHFFFAOYSA-N 1 2 380.517 3.685 20 30 GHEDLO N#CCc1ccc(OCc2cccc(NC(=O)NCCCn3cc[nH+]c3)c2)cc1 ZINC000042899012 864061218 /nfs/dbraw/zinc/06/12/18/864061218.db2.gz XJXWHAIZNQVDTQ-UHFFFAOYSA-N 1 2 389.459 3.740 20 30 GHEDLO CC[N@H+](Cc1ccc(C(O)=C(C#N)c2nc3[nH]ccc(C)c-3n2)cc1)C(C)C ZINC000554322698 864157192 /nfs/dbraw/zinc/15/71/92/864157192.db2.gz JYWGWFOHBDXVBD-GOSISDBHSA-N 1 2 375.476 3.987 20 30 GHEDLO CC[N@@H+](Cc1ccc(C(O)=C(C#N)c2nc3[nH]ccc(C)c-3n2)cc1)C(C)C ZINC000554322698 864157197 /nfs/dbraw/zinc/15/71/97/864157197.db2.gz JYWGWFOHBDXVBD-GOSISDBHSA-N 1 2 375.476 3.987 20 30 GHEDLO CCc1ccc([C@H](COC)[NH2+][C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)o1 ZINC000184796094 864946957 /nfs/dbraw/zinc/94/69/57/864946957.db2.gz HFXSLSABWSIOMT-SJCJKPOMSA-N 1 2 375.856 3.671 20 30 GHEDLO C=CCOc1ccc(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1OC ZINC000608208999 865106839 /nfs/dbraw/zinc/10/68/39/865106839.db2.gz ZLUVBYFIJXNENT-IBGZPJMESA-N 1 2 391.471 3.707 20 30 GHEDLO COCC[N@H+](CC(=O)Nc1ccc(C(F)(F)F)cc1)Cc1ccc(C#N)cc1 ZINC000063754341 865306739 /nfs/dbraw/zinc/30/67/39/865306739.db2.gz OYLZQVDUXKOSEP-UHFFFAOYSA-N 1 2 391.393 3.664 20 30 GHEDLO COCC[N@@H+](CC(=O)Nc1ccc(C(F)(F)F)cc1)Cc1ccc(C#N)cc1 ZINC000063754341 865306755 /nfs/dbraw/zinc/30/67/55/865306755.db2.gz OYLZQVDUXKOSEP-UHFFFAOYSA-N 1 2 391.393 3.664 20 30 GHEDLO C=CCn1c(-c2ccccc2F)nn(C[N@H+](CC)C[C@@H]2CCOC2)c1=S ZINC000738081492 865481351 /nfs/dbraw/zinc/48/13/51/865481351.db2.gz LINPMYLXLLQGII-HNNXBMFYSA-N 1 2 376.501 3.722 20 30 GHEDLO C=CCn1c(-c2ccccc2F)nn(C[N@@H+](CC)C[C@@H]2CCOC2)c1=S ZINC000738081492 865481357 /nfs/dbraw/zinc/48/13/57/865481357.db2.gz LINPMYLXLLQGII-HNNXBMFYSA-N 1 2 376.501 3.722 20 30 GHEDLO C=CCn1c(-c2ccccc2F)nn(CN2CCC[C@H](n3cc[nH+]c3)C2)c1=S ZINC000738156183 865499173 /nfs/dbraw/zinc/49/91/73/865499173.db2.gz BOXUQPBQLGMZBA-INIZCTEOSA-N 1 2 398.511 3.897 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)cc1C ZINC000738319844 865529856 /nfs/dbraw/zinc/52/98/56/865529856.db2.gz LBCZNCYEFHYWGX-GOSISDBHSA-N 1 2 397.441 3.593 20 30 GHEDLO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)cc1C ZINC000738319844 865529861 /nfs/dbraw/zinc/52/98/61/865529861.db2.gz LBCZNCYEFHYWGX-GOSISDBHSA-N 1 2 397.441 3.593 20 30 GHEDLO C=CCC1(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CCCCC1 ZINC000448633672 865637649 /nfs/dbraw/zinc/63/76/49/865637649.db2.gz PPKWWUBVTOPRQY-UHFFFAOYSA-N 1 2 383.536 3.732 20 30 GHEDLO COCCN(C)c1ccc(C=[NH+]Nc2ccc(OC)cc2C(F)(F)F)cn1 ZINC000793112124 881949090 /nfs/dbraw/zinc/94/90/90/881949090.db2.gz PWLJYWBTFUMQGD-UHFFFAOYSA-N 1 2 382.386 3.638 20 30 GHEDLO COc1ccccc1NC(=S)NN=C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000741455560 866528275 /nfs/dbraw/zinc/52/82/75/866528275.db2.gz BWUBWRGMXAJYOC-UHFFFAOYSA-N 1 2 397.548 3.704 20 30 GHEDLO CC(C)(C)c1ncc(/C=C\C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000742481978 867317030 /nfs/dbraw/zinc/31/70/30/867317030.db2.gz DNOHDOKEZNHZKT-HJWRWDBZSA-N 1 2 394.544 3.670 20 30 GHEDLO N#CC1(F)CCN(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000479353182 867596696 /nfs/dbraw/zinc/59/66/96/867596696.db2.gz YYPLSXCDNWNFOY-MRXNPFEDSA-N 1 2 396.869 3.653 20 30 GHEDLO N#Cc1cccc(OC2CC[NH+](CN3C(=O)C[C@@H]3c3ccc(Cl)cc3)CC2)c1 ZINC000743362462 868113478 /nfs/dbraw/zinc/11/34/78/868113478.db2.gz OTOFMOPRCJQAPW-OAQYLSRUSA-N 1 2 395.890 3.986 20 30 GHEDLO COc1cc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)c(SC)cc1OC ZINC000155259834 868415823 /nfs/dbraw/zinc/41/58/23/868415823.db2.gz MZWIJALXWFPMJK-LJQANCHMSA-N 1 2 397.544 3.808 20 30 GHEDLO CC[N@@H+]1CC[C@H](NC(=O)c2cc(C)c(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000457718499 868679656 /nfs/dbraw/zinc/67/96/56/868679656.db2.gz VVFVKJGGABQEAW-HKUYNNGSSA-N 1 2 386.858 3.620 20 30 GHEDLO CC[N@H+]1CC[C@H](NC(=O)c2cc(C)c(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000457718499 868679664 /nfs/dbraw/zinc/67/96/64/868679664.db2.gz VVFVKJGGABQEAW-HKUYNNGSSA-N 1 2 386.858 3.620 20 30 GHEDLO N#Cc1cccnc1OC1CCC(Nc2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000445672208 868847813 /nfs/dbraw/zinc/84/78/13/868847813.db2.gz KBZDNKXAYNVVMB-UHFFFAOYSA-N 1 2 378.480 3.536 20 30 GHEDLO N#Cc1cccnc1OC1CCC(Nc2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000445672208 868847822 /nfs/dbraw/zinc/84/78/22/868847822.db2.gz KBZDNKXAYNVVMB-UHFFFAOYSA-N 1 2 378.480 3.536 20 30 GHEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1ccc(Br)cc1F ZINC000491272906 869562981 /nfs/dbraw/zinc/56/29/81/869562981.db2.gz VSMFNVXXIZMAEO-UHFFFAOYSA-N 1 2 381.245 3.850 20 30 GHEDLO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1ccc(Br)cc1F ZINC000491272906 869562988 /nfs/dbraw/zinc/56/29/88/869562988.db2.gz VSMFNVXXIZMAEO-UHFFFAOYSA-N 1 2 381.245 3.850 20 30 GHEDLO CCCCCCC[C@H](C)NC(=O)N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C ZINC001192927545 870792465 /nfs/dbraw/zinc/79/24/65/870792465.db2.gz SKDVKQNKCHIUAX-SFHVURJKSA-N 1 2 389.588 3.887 20 30 GHEDLO C=CC[N@H+](C[C@@H]1CCCC[C@H]1C(=O)OC)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001169293830 871364665 /nfs/dbraw/zinc/36/46/65/871364665.db2.gz ZKNVETUSEBYHIH-HBMCJLEFSA-N 1 2 387.520 3.628 20 30 GHEDLO C=CC[N@@H+](C[C@@H]1CCCC[C@H]1C(=O)OC)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001169293830 871364699 /nfs/dbraw/zinc/36/46/99/871364699.db2.gz ZKNVETUSEBYHIH-HBMCJLEFSA-N 1 2 387.520 3.628 20 30 GHEDLO CCCCCCCOC(=O)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001193995728 871452078 /nfs/dbraw/zinc/45/20/78/871452078.db2.gz WIRCKJWAIHZTOR-SFHVURJKSA-N 1 2 386.496 3.896 20 30 GHEDLO C=CCNc1ncc(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)s1 ZINC000447572975 871836494 /nfs/dbraw/zinc/83/64/94/871836494.db2.gz FMPOPLVXTUHYGC-UHFFFAOYSA-N 1 2 379.489 3.615 20 30 GHEDLO C[C@H](c1cccc(NC(=O)N[C@H]2CCc3cc(C#N)ccc32)c1)[NH+]1CCOCC1 ZINC000618753745 871953136 /nfs/dbraw/zinc/95/31/36/871953136.db2.gz GCDCBGHBHJBQEO-ZHRRBRCNSA-N 1 2 390.487 3.760 20 30 GHEDLO COc1ccc(CNc2[nH+]c3ccccc3n2CCc2ccccn2)cc1C#N ZINC000463522466 871980429 /nfs/dbraw/zinc/98/04/29/871980429.db2.gz JDGLOWQUGZSWSK-UHFFFAOYSA-N 1 2 383.455 3.588 20 30 GHEDLO Cn1cc[nH+]c1C[C@H](NC(=O)N[C@@H]1CCc2cc(C#N)ccc21)c1ccccc1 ZINC000618819282 872027274 /nfs/dbraw/zinc/02/72/74/872027274.db2.gz HLYZKXFISNZGDX-RTWAWAEBSA-N 1 2 385.471 3.562 20 30 GHEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000540862508 872337560 /nfs/dbraw/zinc/33/75/60/872337560.db2.gz FSHCRFUHYXCJLN-IEBWSBKVSA-N 1 2 385.556 3.621 20 30 GHEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000540862508 872337573 /nfs/dbraw/zinc/33/75/73/872337573.db2.gz FSHCRFUHYXCJLN-IEBWSBKVSA-N 1 2 385.556 3.621 20 30 GHEDLO C[C@@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000595514495 872712790 /nfs/dbraw/zinc/71/27/90/872712790.db2.gz HXKBDHPMZGPSDT-BBRMVZONSA-N 1 2 384.867 3.521 20 30 GHEDLO C[C@@H](c1nc2ccc(Cl)cc2[nH]1)[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000595514495 872712797 /nfs/dbraw/zinc/71/27/97/872712797.db2.gz HXKBDHPMZGPSDT-BBRMVZONSA-N 1 2 384.867 3.521 20 30 GHEDLO N#Cc1cc(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)ccc1OC(F)(F)F ZINC000619667149 872879429 /nfs/dbraw/zinc/87/94/29/872879429.db2.gz KMCHOBVQFHPUEO-AWEZNQCLSA-N 1 2 379.342 3.522 20 30 GHEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1Br ZINC000619816003 873045931 /nfs/dbraw/zinc/04/59/31/873045931.db2.gz HAAVOKQSWAQQAA-SJORKVTESA-N 1 2 383.293 3.875 20 30 GHEDLO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1Br ZINC000619816003 873045947 /nfs/dbraw/zinc/04/59/47/873045947.db2.gz HAAVOKQSWAQQAA-SJORKVTESA-N 1 2 383.293 3.875 20 30 GHEDLO Cc1ccccc1C[N@@H+]1CCO[C@@H](c2noc(CCc3ccc(C#N)cc3)n2)C1 ZINC000867185668 873245522 /nfs/dbraw/zinc/24/55/22/873245522.db2.gz DAYFMKCHPFOTMG-OAQYLSRUSA-N 1 2 388.471 3.608 20 30 GHEDLO Cc1ccccc1C[N@H+]1CCO[C@@H](c2noc(CCc3ccc(C#N)cc3)n2)C1 ZINC000867185668 873245531 /nfs/dbraw/zinc/24/55/31/873245531.db2.gz DAYFMKCHPFOTMG-OAQYLSRUSA-N 1 2 388.471 3.608 20 30 GHEDLO N#Cc1cccc(-c2cc(C(=O)Nc3ccnc(-c4cc(N)cc[nH+]4)c3)no2)c1 ZINC001196760333 873332075 /nfs/dbraw/zinc/33/20/75/873332075.db2.gz VVXNUNCSKOKNTD-UHFFFAOYSA-N 1 2 382.383 3.505 20 30 GHEDLO N#Cc1ccc([C@@H](O)C[N@@H+]2CCc3ccc(F)c(Br)c3C2)cc1 ZINC000527625118 873374250 /nfs/dbraw/zinc/37/42/50/873374250.db2.gz PIBQWSIGPBWXMM-KRWDZBQOSA-N 1 2 375.241 3.552 20 30 GHEDLO N#Cc1ccc([C@@H](O)C[N@H+]2CCc3ccc(F)c(Br)c3C2)cc1 ZINC000527625118 873374259 /nfs/dbraw/zinc/37/42/59/873374259.db2.gz PIBQWSIGPBWXMM-KRWDZBQOSA-N 1 2 375.241 3.552 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858013073 882719396 /nfs/dbraw/zinc/71/93/96/882719396.db2.gz GILZVXYJRBLJBS-UZLBHIALSA-N 1 2 390.487 3.701 20 30 GHEDLO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858013073 882719401 /nfs/dbraw/zinc/71/94/01/882719401.db2.gz GILZVXYJRBLJBS-UZLBHIALSA-N 1 2 390.487 3.701 20 30 GHEDLO CC(=O)Nc1cccc2c1C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CC2 ZINC001196862003 873441323 /nfs/dbraw/zinc/44/13/23/873441323.db2.gz VDVJHCVFLVKJCF-UHFFFAOYSA-N 1 2 388.389 3.953 20 30 GHEDLO CC(=O)Nc1cccc2c1C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CC2 ZINC001196862003 873441331 /nfs/dbraw/zinc/44/13/31/873441331.db2.gz VDVJHCVFLVKJCF-UHFFFAOYSA-N 1 2 388.389 3.953 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cc(Cl)c(OC)c(OCC)c2)c1 ZINC000768916386 873684731 /nfs/dbraw/zinc/68/47/31/873684731.db2.gz ZYRMVAPATOFSND-UHFFFAOYSA-N 1 2 386.879 3.799 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cc(Cl)c(OC)c(OCC)c2)c1 ZINC000768916386 873684739 /nfs/dbraw/zinc/68/47/39/873684739.db2.gz ZYRMVAPATOFSND-UHFFFAOYSA-N 1 2 386.879 3.799 20 30 GHEDLO C#CC[N@@H+](Cc1ccc(S(=O)(=O)N(C)C)s1)[C@H]1CCCc2ccccc21 ZINC001198105625 874233997 /nfs/dbraw/zinc/23/39/97/874233997.db2.gz YCXMVWDZSFFVTK-IBGZPJMESA-N 1 2 388.558 3.511 20 30 GHEDLO C#CC[N@H+](Cc1ccc(S(=O)(=O)N(C)C)s1)[C@H]1CCCc2ccccc21 ZINC001198105625 874234004 /nfs/dbraw/zinc/23/40/04/874234004.db2.gz YCXMVWDZSFFVTK-IBGZPJMESA-N 1 2 388.558 3.511 20 30 GHEDLO COCc1cccc(CO[NH+]=C(N)c2ccc(CNC(=O)OC(C)(C)C)cc2)c1 ZINC000769842239 874320352 /nfs/dbraw/zinc/32/03/52/874320352.db2.gz KJZRVVRKDAHPOO-UHFFFAOYSA-N 1 2 399.491 3.695 20 30 GHEDLO Cc1nc(CO[NH+]=C(N)c2ccc(CNC(=O)OC(C)(C)C)cc2)sc1C ZINC000769841796 874320900 /nfs/dbraw/zinc/32/09/00/874320900.db2.gz JNYPLQQGAFWOKF-UHFFFAOYSA-N 1 2 390.509 3.622 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCc3cc(O)ccc3C2)c1 ZINC001198829062 874632465 /nfs/dbraw/zinc/63/24/65/874632465.db2.gz NNKDRJYGCZWVOE-GOSISDBHSA-N 1 2 377.488 3.703 20 30 GHEDLO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCc3cc(O)ccc3C2)c1 ZINC001198829062 874632473 /nfs/dbraw/zinc/63/24/73/874632473.db2.gz NNKDRJYGCZWVOE-GOSISDBHSA-N 1 2 377.488 3.703 20 30 GHEDLO OC[C@]1(F)C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@@H]1c1ccccc1 ZINC000451253349 877668143 /nfs/dbraw/zinc/66/81/43/877668143.db2.gz AHOXRYYFYBCFNE-WOJBJXKFSA-N 1 2 377.381 3.857 20 30 GHEDLO OC[C@]1(F)C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@@H]1c1ccccc1 ZINC000451253349 877668151 /nfs/dbraw/zinc/66/81/51/877668151.db2.gz AHOXRYYFYBCFNE-WOJBJXKFSA-N 1 2 377.381 3.857 20 30 GHEDLO N#Cc1cccc(COc2cccc(C[N@H+]3CCOC[C@H]3[C@H]3CCCC3=O)c2)c1 ZINC000530389129 877685290 /nfs/dbraw/zinc/68/52/90/877685290.db2.gz STUJBLLDEGSEEQ-PKTZIBPZSA-N 1 2 390.483 3.707 20 30 GHEDLO N#Cc1cccc(COc2cccc(C[N@@H+]3CCOC[C@H]3[C@H]3CCCC3=O)c2)c1 ZINC000530389129 877685296 /nfs/dbraw/zinc/68/52/96/877685296.db2.gz STUJBLLDEGSEEQ-PKTZIBPZSA-N 1 2 390.483 3.707 20 30 GHEDLO C=C(C)Cn1c(CC2CC2)nnc1N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000460571122 878176512 /nfs/dbraw/zinc/17/65/12/878176512.db2.gz HLTBQBDSJVSCBC-UHFFFAOYSA-N 1 2 394.567 3.945 20 30 GHEDLO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@](C#N)(c3ccccn3)C2)cc1Cl ZINC000852331608 878249340 /nfs/dbraw/zinc/24/93/40/878249340.db2.gz KKSDVTIHOZEDRH-NRFANRHFSA-N 1 2 398.894 3.630 20 30 GHEDLO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@](C#N)(c3ccccn3)C2)cc1Cl ZINC000852331608 878249362 /nfs/dbraw/zinc/24/93/62/878249362.db2.gz KKSDVTIHOZEDRH-NRFANRHFSA-N 1 2 398.894 3.630 20 30 GHEDLO C#CCCCOc1ccc[nH+]c1NCC1CCN(C(=O)c2ccccc2)CC1 ZINC000853363065 878986095 /nfs/dbraw/zinc/98/60/95/878986095.db2.gz ZOWRKIXAKGGZMA-UHFFFAOYSA-N 1 2 377.488 3.838 20 30 GHEDLO C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000617038017 879335620 /nfs/dbraw/zinc/33/56/20/879335620.db2.gz UGNMYPBFONOFHX-XLIONFOSSA-N 1 2 380.492 3.777 20 30 GHEDLO C=CCCC[C@H](C)NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000538366186 879362283 /nfs/dbraw/zinc/36/22/83/879362283.db2.gz IZHSIIBLSTUOLZ-IPELMVKDSA-N 1 2 379.932 3.756 20 30 GHEDLO C=CCCC[C@H](C)NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000538366186 879362297 /nfs/dbraw/zinc/36/22/97/879362297.db2.gz IZHSIIBLSTUOLZ-IPELMVKDSA-N 1 2 379.932 3.756 20 30 GHEDLO O=C(C#Cc1ccc(C(F)(F)F)cc1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000790250411 879549194 /nfs/dbraw/zinc/54/91/94/879549194.db2.gz ZFOCQAMPKJWBCV-UHFFFAOYSA-N 1 2 383.373 3.618 20 30 GHEDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)[C@@H](C)CO1 ZINC000854302743 879707429 /nfs/dbraw/zinc/70/74/29/879707429.db2.gz FYFZNPRVAYRLOY-NJNPRVFISA-N 1 2 392.503 3.573 20 30 GHEDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)[C@@H](C)CO1 ZINC000854302743 879707433 /nfs/dbraw/zinc/70/74/33/879707433.db2.gz FYFZNPRVAYRLOY-NJNPRVFISA-N 1 2 392.503 3.573 20 30 GHEDLO CC(C)CN1CC[C@]2(CCC[N@@H+]2Cc2cc(C#N)ccc2Br)C1=O ZINC001275192515 912576774 /nfs/dbraw/zinc/57/67/74/912576774.db2.gz RHBYVRMGPYYRGJ-LJQANCHMSA-N 1 2 390.325 3.544 20 30 GHEDLO CC(C)CN1CC[C@]2(CCC[N@H+]2Cc2cc(C#N)ccc2Br)C1=O ZINC001275192515 912576778 /nfs/dbraw/zinc/57/67/78/912576778.db2.gz RHBYVRMGPYYRGJ-LJQANCHMSA-N 1 2 390.325 3.544 20 30 GHEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000791623077 880548424 /nfs/dbraw/zinc/54/84/24/880548424.db2.gz FYZDGVMUQKMBNW-PMACEKPBSA-N 1 2 391.849 3.534 20 30 GHEDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)Cc2ccccc2CC#N)C[C@@H](C)O1 ZINC000776830694 880730730 /nfs/dbraw/zinc/73/07/30/880730730.db2.gz UCKVXSRHPGKRIK-QZTJIDSGSA-N 1 2 377.488 3.543 20 30 GHEDLO N#C[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccccc1Br ZINC000609592154 883396431 /nfs/dbraw/zinc/39/64/31/883396431.db2.gz CGEDLRKIBPTKNM-GOSISDBHSA-N 1 2 395.260 3.689 20 30 GHEDLO CSc1nc(C2CC2)cc(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1C#N ZINC000609669305 883514761 /nfs/dbraw/zinc/51/47/61/883514761.db2.gz TZGOJKSNEIZIPW-UHFFFAOYSA-N 1 2 389.484 3.668 20 30 GHEDLO C=C(C)[C@@H](NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccc(F)c(F)c1 ZINC000185844197 883592889 /nfs/dbraw/zinc/59/28/89/883592889.db2.gz FRPNWADKPGUFTF-FOIQADDNSA-N 1 2 388.462 3.980 20 30 GHEDLO N#C[C@@H](NC(=O)c1cccc2[nH+]ccn21)c1ccc(OCc2ccccc2)cc1 ZINC000777096387 883688569 /nfs/dbraw/zinc/68/85/69/883688569.db2.gz DKSJIAJBCSLLGL-HXUWFJFHSA-N 1 2 382.423 3.908 20 30 GHEDLO Cc1ccc(NC(=O)[C@@H](C)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(Cl)c1 ZINC000026467421 884261498 /nfs/dbraw/zinc/26/14/98/884261498.db2.gz HSRXTJNXSMMYGA-QGZVFWFLSA-N 1 2 396.922 3.665 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)N1CCc2cc(F)c(F)cc2C1 ZINC001183835346 912839906 /nfs/dbraw/zinc/83/99/06/912839906.db2.gz KWZWMLYNTSQDGO-JOCHJYFZSA-N 1 2 395.453 3.776 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)N1CCc2cc(F)c(F)cc2C1 ZINC001183835346 912839922 /nfs/dbraw/zinc/83/99/22/912839922.db2.gz KWZWMLYNTSQDGO-JOCHJYFZSA-N 1 2 395.453 3.776 20 30 GHEDLO NC(=[NH+]OCc1nnc(C2CC2)s1)c1ccc(COc2ccccc2F)cc1 ZINC000842025017 884596705 /nfs/dbraw/zinc/59/67/05/884596705.db2.gz RKOCDGSUOXZQGT-UHFFFAOYSA-N 1 2 398.463 3.971 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000860494571 884738094 /nfs/dbraw/zinc/73/80/94/884738094.db2.gz LUBFTRCOUPAIQJ-UXHICEINSA-N 1 2 383.442 3.676 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)C(C)(C)c2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000860494571 884738105 /nfs/dbraw/zinc/73/81/05/884738105.db2.gz LUBFTRCOUPAIQJ-UXHICEINSA-N 1 2 383.442 3.676 20 30 GHEDLO O=C(NCCn1cc[nH+]c1)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000666353201 884827976 /nfs/dbraw/zinc/82/79/76/884827976.db2.gz PJDUXMKQGVVJQO-UHFFFAOYSA-N 1 2 383.267 3.603 20 30 GHEDLO COc1ccc(C#N)cc1C[N@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000153225261 885426614 /nfs/dbraw/zinc/42/66/14/885426614.db2.gz LNCXGENFTISMIY-UHFFFAOYSA-N 1 2 376.359 3.529 20 30 GHEDLO COc1ccc(C#N)cc1C[N@@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000153225261 885426619 /nfs/dbraw/zinc/42/66/19/885426619.db2.gz LNCXGENFTISMIY-UHFFFAOYSA-N 1 2 376.359 3.529 20 30 GHEDLO N#C[C@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1cccc(Br)c1 ZINC000117777640 886111308 /nfs/dbraw/zinc/11/13/08/886111308.db2.gz MWCYBTWBHRKTHQ-KRWDZBQOSA-N 1 2 381.233 3.629 20 30 GHEDLO C[C@@H]1CN(c2ccc(NC3CCN(c4ccc(C#N)cc4)CC3)c[nH+]2)C[C@H](C)O1 ZINC000556878003 886467246 /nfs/dbraw/zinc/46/72/46/886467246.db2.gz JMOILCBVTFGNQX-HDICACEKSA-N 1 2 391.519 3.648 20 30 GHEDLO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC000794534316 887185294 /nfs/dbraw/zinc/18/52/94/887185294.db2.gz YKSMUHXPHAXJNE-SFHVURJKSA-N 1 2 381.451 3.836 20 30 GHEDLO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC000794534316 887185298 /nfs/dbraw/zinc/18/52/98/887185298.db2.gz YKSMUHXPHAXJNE-SFHVURJKSA-N 1 2 381.451 3.836 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000135597492 888250244 /nfs/dbraw/zinc/25/02/44/888250244.db2.gz PRFFHJWEEWVCCE-MAUKXSAKSA-N 1 2 397.548 3.620 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000135597492 888250257 /nfs/dbraw/zinc/25/02/57/888250257.db2.gz PRFFHJWEEWVCCE-MAUKXSAKSA-N 1 2 397.548 3.620 20 30 GHEDLO COc1cc(N[C@H]2CCC[N@H+](Cc3c(C#N)cccc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000459375999 888408308 /nfs/dbraw/zinc/40/83/08/888408308.db2.gz ZKJRECDKYHNPCJ-INIZCTEOSA-N 1 2 396.447 3.560 20 30 GHEDLO COc1cc(N[C@H]2CCC[N@@H+](Cc3c(C#N)cccc3[N+](=O)[O-])C2)cc(OC)c1 ZINC000459375999 888408320 /nfs/dbraw/zinc/40/83/20/888408320.db2.gz ZKJRECDKYHNPCJ-INIZCTEOSA-N 1 2 396.447 3.560 20 30 GHEDLO COc1cc(Br)c(C[NH2+][C@H](C)c2cccc(C#N)c2O)cc1OC ZINC000866295134 888820171 /nfs/dbraw/zinc/82/01/71/888820171.db2.gz SNNUWJLSDDOGTA-LLVKDONJSA-N 1 2 391.265 3.894 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000532771392 888880413 /nfs/dbraw/zinc/88/04/13/888880413.db2.gz SWGROIVGKBYPDK-HNNXBMFYSA-N 1 2 397.500 3.738 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000532771392 888880421 /nfs/dbraw/zinc/88/04/21/888880421.db2.gz SWGROIVGKBYPDK-HNNXBMFYSA-N 1 2 397.500 3.738 20 30 GHEDLO C=CCOc1ccc(/C=C\C(=O)NCc2[nH+]cc(C)c(OC)c2C)cc1OC ZINC000747672457 889138172 /nfs/dbraw/zinc/13/81/72/889138172.db2.gz YICSOWONEFHRGD-NTMALXAHSA-N 1 2 382.460 3.610 20 30 GHEDLO CCCCc1noc([C@@H](C)O[NH+]=C(N)c2cccc(Cn3nc(C)cc3C)c2)n1 ZINC000122233412 889526658 /nfs/dbraw/zinc/52/66/58/889526658.db2.gz IRIXUOAKEKVSCD-MRXNPFEDSA-N 1 2 396.495 3.672 20 30 GHEDLO COc1ccc(CC(N)=[NH+]O[C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)cc1 ZINC000122978524 890243237 /nfs/dbraw/zinc/24/32/37/890243237.db2.gz BFSUEBLWLJSFHE-OAHLLOKOSA-N 1 2 380.448 3.955 20 30 GHEDLO C#C[C@H](NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)c1ccc(F)cc1 ZINC000812934811 891140603 /nfs/dbraw/zinc/14/06/03/891140603.db2.gz PDGDPFQQHBKEET-IERDGZPVSA-N 1 2 381.451 3.715 20 30 GHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c1=S ZINC000747831338 891203409 /nfs/dbraw/zinc/20/34/09/891203409.db2.gz MAAZGNUCSRASBQ-UXHICEINSA-N 1 2 398.576 3.897 20 30 GHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c1=S ZINC000747831338 891203422 /nfs/dbraw/zinc/20/34/22/891203422.db2.gz MAAZGNUCSRASBQ-UXHICEINSA-N 1 2 398.576 3.897 20 30 GHEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000497490938 891697425 /nfs/dbraw/zinc/69/74/25/891697425.db2.gz YUDUJFWQKOQFCT-VFNWGFHPSA-N 1 2 389.927 3.678 20 30 GHEDLO CCC[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)CN(/C=C/c2ccccc2)C1=O ZINC000917458216 891996490 /nfs/dbraw/zinc/99/64/90/891996490.db2.gz WOBPGWUGULRRFZ-WYMLVPIESA-N 1 2 388.471 3.663 20 30 GHEDLO CCC[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)CN(/C=C/c2ccccc2)C1=O ZINC000917458216 891996493 /nfs/dbraw/zinc/99/64/93/891996493.db2.gz WOBPGWUGULRRFZ-WYMLVPIESA-N 1 2 388.471 3.663 20 30 GHEDLO N#CCCCn1cc(C(=O)N2CC[NH2+][C@H](c3ccc(F)cc3)C2)c2ccccc21 ZINC000874891383 892366493 /nfs/dbraw/zinc/36/64/93/892366493.db2.gz MXFUEKNCGAZRRF-NRFANRHFSA-N 1 2 390.462 3.871 20 30 GHEDLO C=CCn1cc2ccc(NC(=O)[C@@H](c3ccccc3)[NH+]3CCSCC3)cc2n1 ZINC001134290888 892596442 /nfs/dbraw/zinc/59/64/42/892596442.db2.gz ASTSLPIVKDYGNX-OAQYLSRUSA-N 1 2 392.528 3.951 20 30 GHEDLO Cc1ccc(N2CC[N@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)[C@@H](C)C2)cc1C ZINC000747972448 893133532 /nfs/dbraw/zinc/13/35/32/893133532.db2.gz ZCTFHPMFLSKZAL-SFHVURJKSA-N 1 2 387.487 3.936 20 30 GHEDLO Cc1ccc(N2CC[N@@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)[C@@H](C)C2)cc1C ZINC000747972448 893133536 /nfs/dbraw/zinc/13/35/36/893133536.db2.gz ZCTFHPMFLSKZAL-SFHVURJKSA-N 1 2 387.487 3.936 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@H+](C)Cc1cc(C#N)cs1 ZINC000933777787 893212542 /nfs/dbraw/zinc/21/25/42/893212542.db2.gz TWYHECSOQKPFCI-INIZCTEOSA-N 1 2 393.516 3.881 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933777787 893212562 /nfs/dbraw/zinc/21/25/62/893212562.db2.gz TWYHECSOQKPFCI-INIZCTEOSA-N 1 2 393.516 3.881 20 30 GHEDLO C=C(Br)C[NH2+]Cc1c(F)ccc(I)c1F ZINC000379925663 893586465 /nfs/dbraw/zinc/58/64/65/893586465.db2.gz LELLSZGCCQIFJV-UHFFFAOYSA-N 1 2 387.993 3.568 20 30 GHEDLO N#CCCn1cc(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)c(-c2ccccc2)n1 ZINC000459609942 893900190 /nfs/dbraw/zinc/90/01/90/893900190.db2.gz JQVSBOLWIYRMKZ-UHFFFAOYSA-N 1 2 383.455 3.599 20 30 GHEDLO CC[N@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000878113681 894030065 /nfs/dbraw/zinc/03/00/65/894030065.db2.gz KZWASENMJGKMFZ-UPVQGACJSA-N 1 2 389.499 3.554 20 30 GHEDLO CC[N@@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000878113681 894030081 /nfs/dbraw/zinc/03/00/81/894030081.db2.gz KZWASENMJGKMFZ-UPVQGACJSA-N 1 2 389.499 3.554 20 30 GHEDLO C[C@@H](C#N)CN(Cc1cc(C#N)cc(C[N@H+](C[C@@H](C)C#N)C2CC2)c1)C1CC1 ZINC000878298999 894175951 /nfs/dbraw/zinc/17/59/51/894175951.db2.gz MHLKSGPTSMLNQM-ROUUACIJSA-N 1 2 375.520 3.806 20 30 GHEDLO C[C@@H](C#N)CN(Cc1cc(C#N)cc(C[N@@H+](C[C@@H](C)C#N)C2CC2)c1)C1CC1 ZINC000878298999 894175956 /nfs/dbraw/zinc/17/59/56/894175956.db2.gz MHLKSGPTSMLNQM-ROUUACIJSA-N 1 2 375.520 3.806 20 30 GHEDLO CC(=O)[C@](C#N)(CC[N@H+](CC(=O)N1CCCCCC1)C(C)C)c1ccccc1 ZINC000878611910 894441897 /nfs/dbraw/zinc/44/18/97/894441897.db2.gz CYNAEFXSAHPFRE-HSZRJFAPSA-N 1 2 383.536 3.540 20 30 GHEDLO CC(=O)[C@](C#N)(CC[N@@H+](CC(=O)N1CCCCCC1)C(C)C)c1ccccc1 ZINC000878611910 894441901 /nfs/dbraw/zinc/44/19/01/894441901.db2.gz CYNAEFXSAHPFRE-HSZRJFAPSA-N 1 2 383.536 3.540 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3cc(C(C)C)n[nH]3)C2)c(C#N)c1C ZINC000879919892 895403119 /nfs/dbraw/zinc/40/31/19/895403119.db2.gz UJASWJNDHOJTJX-GOEBONIOSA-N 1 2 383.496 3.821 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](c3cc(C(C)C)n[nH]3)C2)c(C#N)c1C ZINC000879919892 895403122 /nfs/dbraw/zinc/40/31/22/895403122.db2.gz UJASWJNDHOJTJX-GOEBONIOSA-N 1 2 383.496 3.821 20 30 GHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](C(F)(F)F)O[C@@H](C)C2)c1C ZINC000880059884 895485071 /nfs/dbraw/zinc/48/50/71/895485071.db2.gz LJSQPVWCYMVWIB-MAUKXSAKSA-N 1 2 397.441 3.592 20 30 GHEDLO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](C(F)(F)F)O[C@@H](C)C2)c1C ZINC000880059884 895485075 /nfs/dbraw/zinc/48/50/75/895485075.db2.gz LJSQPVWCYMVWIB-MAUKXSAKSA-N 1 2 397.441 3.592 20 30 GHEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000565943207 896000663 /nfs/dbraw/zinc/00/06/63/896000663.db2.gz AAGLDGHIUMVWHN-AWEZNQCLSA-N 1 2 386.858 3.894 20 30 GHEDLO N#Cc1cnn2cc(C[N@H+]3CCC[C@@H]3c3ccc(Br)cc3)cnc12 ZINC000565951289 896005742 /nfs/dbraw/zinc/00/57/42/896005742.db2.gz PBQGHFBDRKKJIT-QGZVFWFLSA-N 1 2 382.265 3.701 20 30 GHEDLO N#Cc1cnn2cc(C[N@@H+]3CCC[C@@H]3c3ccc(Br)cc3)cnc12 ZINC000565951289 896005749 /nfs/dbraw/zinc/00/57/49/896005749.db2.gz PBQGHFBDRKKJIT-QGZVFWFLSA-N 1 2 382.265 3.701 20 30 GHEDLO CC[C@H](C#N)Oc1cccc(CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)c1 ZINC000819878798 897026143 /nfs/dbraw/zinc/02/61/43/897026143.db2.gz JKAMNQXJCIWZOV-CTNGQTDRSA-N 1 2 388.471 3.929 20 30 GHEDLO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000567737939 897369686 /nfs/dbraw/zinc/36/96/86/897369686.db2.gz JZRIWIJMNFOTGV-JXFKEZNVSA-N 1 2 380.492 3.989 20 30 GHEDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CCCO1 ZINC000568587099 897959978 /nfs/dbraw/zinc/95/99/78/897959978.db2.gz MHDAUTVNTWTLNG-HUUCEWRRSA-N 1 2 375.538 3.717 20 30 GHEDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CCCO1 ZINC000568587099 897959989 /nfs/dbraw/zinc/95/99/89/897959989.db2.gz MHDAUTVNTWTLNG-HUUCEWRRSA-N 1 2 375.538 3.717 20 30 GHEDLO C[C@@H](c1cccc(NC(=O)[C@@H](C#N)CCc2ccccc2)c1)[NH+]1CCOCC1 ZINC001136717223 899019159 /nfs/dbraw/zinc/01/91/59/899019159.db2.gz FUJMQBOEPBBZBB-GHTZIAJQSA-N 1 2 377.488 3.791 20 30 GHEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCC3CCC(C#N)CC3)n2)C1 ZINC000570004343 899066292 /nfs/dbraw/zinc/06/62/92/899066292.db2.gz SNSSIDGWXVTBLF-QQFBHYJXSA-N 1 2 375.542 3.826 20 30 GHEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCC3CCC(C#N)CC3)n2)C1 ZINC000570004343 899066309 /nfs/dbraw/zinc/06/63/09/899066309.db2.gz SNSSIDGWXVTBLF-QQFBHYJXSA-N 1 2 375.542 3.826 20 30 GHEDLO CCCCOC(=O)N1CCN(c2[nH+]cccc2NC2=CC[C@@H](C#N)CC2)CC1 ZINC001212857916 899100873 /nfs/dbraw/zinc/10/08/73/899100873.db2.gz VAPWHDRTWIRZRT-QGZVFWFLSA-N 1 2 383.496 3.760 20 30 GHEDLO CCOC(=O)c1cc2cc([NH+]=C(N)c3ccc4ccccc4n3)ccc2oc1=O ZINC001171047728 899389734 /nfs/dbraw/zinc/38/97/34/899389734.db2.gz HDXPJEAXZUSLLS-UHFFFAOYSA-N 1 2 387.395 3.555 20 30 GHEDLO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000824953097 899904975 /nfs/dbraw/zinc/90/49/75/899904975.db2.gz HDZBOJTWHWOPBS-OLZOCXBDSA-N 1 2 391.103 3.740 20 30 GHEDLO C=CC[N@@H+](C)CC(=O)Nc1c(Br)cc(C)cc1Br ZINC000121495299 900041026 /nfs/dbraw/zinc/04/10/26/900041026.db2.gz OXHAZOIBVHFLDY-UHFFFAOYSA-N 1 2 376.092 3.576 20 30 GHEDLO C=CC[N@H+](C)CC(=O)Nc1c(Br)cc(C)cc1Br ZINC000121495299 900041031 /nfs/dbraw/zinc/04/10/31/900041031.db2.gz OXHAZOIBVHFLDY-UHFFFAOYSA-N 1 2 376.092 3.576 20 30 GHEDLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)CCO1 ZINC000135289560 900216357 /nfs/dbraw/zinc/21/63/57/900216357.db2.gz XCXULZCLZRTWFD-LPHOPBHVSA-N 1 2 387.524 3.602 20 30 GHEDLO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CCO1 ZINC000135289560 900216368 /nfs/dbraw/zinc/21/63/68/900216368.db2.gz XCXULZCLZRTWFD-LPHOPBHVSA-N 1 2 387.524 3.602 20 30 GHEDLO N#CCCN(Cc1ccco1)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000124624295 902093106 /nfs/dbraw/zinc/09/31/06/902093106.db2.gz QMYVQPHMSQERLD-UHFFFAOYSA-N 1 2 379.420 3.503 20 30 GHEDLO C[C@@H](CC(=O)[C@H](C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)n1cc[nH+]c1 ZINC000845528506 902233026 /nfs/dbraw/zinc/23/30/26/902233026.db2.gz IDUYELIFFJNGOO-HUBLWGQQSA-N 1 2 393.274 3.727 20 30 GHEDLO C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3c(F)cc(O)cc3F)C2)CC1 ZINC001144541909 902350408 /nfs/dbraw/zinc/35/04/08/902350408.db2.gz MFNLEFQCKQOUOD-UHFFFAOYSA-N 1 2 380.435 3.671 20 30 GHEDLO C=CCOC(=O)N1CCC2(CCC[N@H+](Cc3c(F)cc(O)cc3F)C2)CC1 ZINC001144541909 902350421 /nfs/dbraw/zinc/35/04/21/902350421.db2.gz MFNLEFQCKQOUOD-UHFFFAOYSA-N 1 2 380.435 3.671 20 30 GHEDLO N#CCCCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cscc1Br ZINC001275540735 914651765 /nfs/dbraw/zinc/65/17/65/914651765.db2.gz MTLSTBJPYYWGHB-QGZVFWFLSA-N 1 2 396.354 3.771 20 30 GHEDLO N#CCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cscc1Br ZINC001275540735 914651773 /nfs/dbraw/zinc/65/17/73/914651773.db2.gz MTLSTBJPYYWGHB-QGZVFWFLSA-N 1 2 396.354 3.771 20 30 GHEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)NCCCCC#N ZINC000264129680 902862527 /nfs/dbraw/zinc/86/25/27/902862527.db2.gz WFCRPTDXOSIWFQ-UHFFFAOYSA-N 1 2 383.496 3.578 20 30 GHEDLO N#CC[C@H]1CCCN(C(=O)[C@@H](c2cccc(Br)c2)[NH+]2CCCC2)C1 ZINC001147059863 903678923 /nfs/dbraw/zinc/67/89/23/903678923.db2.gz CDULMFIQGPDGHV-CRAIPNDOSA-N 1 2 390.325 3.738 20 30 GHEDLO C=C[C@@H]1C[C@]1([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C1)C(=O)OCC ZINC001171588670 904815757 /nfs/dbraw/zinc/81/57/57/904815757.db2.gz HFKVSDQYSCKKNO-MPWIWIEXSA-N 1 2 394.556 3.898 20 30 GHEDLO N#Cc1sccc1N1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC001171937599 905191795 /nfs/dbraw/zinc/19/17/95/905191795.db2.gz QXJROQYJDMBCMS-MRXNPFEDSA-N 1 2 382.316 3.782 20 30 GHEDLO O=C1C=C2C[N@H+](C3CCN(c4ccc(Br)cc4)CC3)CC[C@@H]2S1 ZINC001171990664 905200600 /nfs/dbraw/zinc/20/06/00/905200600.db2.gz CRMVDDMZSHDGPP-KRWDZBQOSA-N 1 2 393.350 3.692 20 30 GHEDLO O=C1C=C2C[N@@H+](C3CCN(c4ccc(Br)cc4)CC3)CC[C@@H]2S1 ZINC001171990664 905200611 /nfs/dbraw/zinc/20/06/11/905200611.db2.gz CRMVDDMZSHDGPP-KRWDZBQOSA-N 1 2 393.350 3.692 20 30 GHEDLO N#Cc1ccc(CO[NH+]=C(N)c2ccc(OCc3cccnc3)cc2)cc1F ZINC000190063249 905507955 /nfs/dbraw/zinc/50/79/55/905507955.db2.gz RTJGUDAGCMBJGR-UHFFFAOYSA-N 1 2 376.391 3.508 20 30 GHEDLO C[C@@H](CCCC#N)[NH2+][C@@H](CCC(=O)OC(C)(C)C)C(=O)OCc1ccccc1 ZINC001172484297 905558098 /nfs/dbraw/zinc/55/80/98/905558098.db2.gz CBAHPXDEIDNMRB-HKUYNNGSSA-N 1 2 388.508 3.892 20 30 GHEDLO C=CCOC(=O)CC[C@H]([NH2+]C1CCC(Cc2ccccc2)CC1)C(=O)OCC=C ZINC001172820269 905852143 /nfs/dbraw/zinc/85/21/43/905852143.db2.gz RJCUBGOROWLQDM-HRTMPFAESA-N 1 2 399.531 3.985 20 30 GHEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1[C@@H](C)Cc1ccc(F)cc1Cl ZINC001172867567 905882671 /nfs/dbraw/zinc/88/26/71/905882671.db2.gz NWCZAIKGBVSMEY-LIRRHRJNSA-N 1 2 392.906 3.824 20 30 GHEDLO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1[C@@H](C)Cc1ccc(F)cc1Cl ZINC001172867567 905882680 /nfs/dbraw/zinc/88/26/80/905882680.db2.gz NWCZAIKGBVSMEY-LIRRHRJNSA-N 1 2 392.906 3.824 20 30 GHEDLO N#Cc1cccc(OC2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)c1 ZINC000177050277 906027899 /nfs/dbraw/zinc/02/78/99/906027899.db2.gz YQHRJHBHXPZKOI-UHFFFAOYSA-N 1 2 378.388 3.651 20 30 GHEDLO CCOC(=O)c1cc(C#N)c(Nc2ccc(Cn3cc[nH+]c3)cc2)c(C)c1O ZINC001212697534 906095499 /nfs/dbraw/zinc/09/54/99/906095499.db2.gz DMBMUYNWWFXYSV-UHFFFAOYSA-N 1 2 376.416 3.737 20 30 GHEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H]([NH2+]Cc2cccc(-c3ccccn3)c2)C1 ZINC000779413087 906865732 /nfs/dbraw/zinc/86/57/32/906865732.db2.gz RIIRUOBBAIFGAS-UYAOXDASSA-N 1 2 378.476 3.597 20 30 GHEDLO N#Cc1c(Nc2ccc(OCC[NH+]3CCOCC3)cc2)sc2c1CCCC2 ZINC001174430248 907016854 /nfs/dbraw/zinc/01/68/54/907016854.db2.gz UJIYHXATGUCWHI-UHFFFAOYSA-N 1 2 383.517 3.953 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c1C#N ZINC000773428117 907291538 /nfs/dbraw/zinc/29/15/38/907291538.db2.gz IZKHERLSTJKUSQ-GHTZIAJQSA-N 1 2 376.460 3.734 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c1C#N ZINC000773428117 907291552 /nfs/dbraw/zinc/29/15/52/907291552.db2.gz IZKHERLSTJKUSQ-GHTZIAJQSA-N 1 2 376.460 3.734 20 30 GHEDLO CCOc1ccc(-c2nc(C[NH+]3CCN(c4ccc(C#N)cc4)CC3)co2)cc1 ZINC001175443550 907558113 /nfs/dbraw/zinc/55/81/13/907558113.db2.gz FIKAJYWDWZKSOZ-UHFFFAOYSA-N 1 2 388.471 3.934 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[NH+](Cc2ccc(Nc3ccc(C#N)nc3)cc2)CC1 ZINC001176040824 907899597 /nfs/dbraw/zinc/89/95/97/907899597.db2.gz WFYZDXQJCZAELZ-UHFFFAOYSA-N 1 2 393.491 3.750 20 30 GHEDLO N#Cc1ccc(C2CC[NH+]([C@@H](C(N)=O)c3cccc(Br)c3)CC2)cc1 ZINC001176577632 908183715 /nfs/dbraw/zinc/18/37/15/908183715.db2.gz FXHARNJMWGUZRY-LJQANCHMSA-N 1 2 398.304 3.727 20 30 GHEDLO N#Cc1cccc(-c2nnc(C[N@H+]3CC=C(c4ccc(Cl)nc4)CC3)o2)c1 ZINC000773671492 908622027 /nfs/dbraw/zinc/62/20/27/908622027.db2.gz DVTAQVIHYGMKNE-UHFFFAOYSA-N 1 2 377.835 3.946 20 30 GHEDLO N#Cc1cccc(-c2nnc(C[N@@H+]3CC=C(c4ccc(Cl)nc4)CC3)o2)c1 ZINC000773671492 908622036 /nfs/dbraw/zinc/62/20/36/908622036.db2.gz DVTAQVIHYGMKNE-UHFFFAOYSA-N 1 2 377.835 3.946 20 30 GHEDLO N#Cc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccco2)c(OC(F)(F)F)c1 ZINC001177621862 908674990 /nfs/dbraw/zinc/67/49/90/908674990.db2.gz HNKUMWADGXUAMN-OAHLLOKOSA-N 1 2 379.338 3.653 20 30 GHEDLO N#Cc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccco2)c(OC(F)(F)F)c1 ZINC001177621862 908674995 /nfs/dbraw/zinc/67/49/95/908674995.db2.gz HNKUMWADGXUAMN-OAHLLOKOSA-N 1 2 379.338 3.653 20 30 GHEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000191887651 908691023 /nfs/dbraw/zinc/69/10/23/908691023.db2.gz NWXBEVJWPGZKFD-UHFFFAOYSA-N 1 2 391.422 3.863 20 30 GHEDLO CO[C@H](C)c1nc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)cs1 ZINC000267594954 909559876 /nfs/dbraw/zinc/55/98/76/909559876.db2.gz BTWPMBRMCIUQKV-OAHLLOKOSA-N 1 2 381.505 3.917 20 30 GHEDLO COc1ccc(CNc2[nH+]cccc2OCCCC#N)c(Br)c1O ZINC000274237504 911271983 /nfs/dbraw/zinc/27/19/83/911271983.db2.gz BJKHFTDNWIQULO-UHFFFAOYSA-N 1 2 392.253 3.853 20 30 GHEDLO CC(C)[C@@H]1C[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)CCCO1 ZINC000293009954 915948474 /nfs/dbraw/zinc/94/84/74/915948474.db2.gz DOAXOPXLEUYLEC-AEFFLSMTSA-N 1 2 375.538 3.766 20 30 GHEDLO CC(C)[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)CCCO1 ZINC000293009954 915948488 /nfs/dbraw/zinc/94/84/88/915948488.db2.gz DOAXOPXLEUYLEC-AEFFLSMTSA-N 1 2 375.538 3.766 20 30 GHEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1 ZINC000293423488 916195169 /nfs/dbraw/zinc/19/51/69/916195169.db2.gz HCCFJKUEUGLQPG-GFCCVEGCSA-N 1 2 394.422 3.553 20 30 GHEDLO COC(=O)c1ccc(N2CC[N@H+](Cc3cc(Cl)cc(C#N)c3)[C@@H](C)C2)cc1 ZINC001190778942 917559185 /nfs/dbraw/zinc/55/91/85/917559185.db2.gz CCNCDHXJNWSIQP-HNNXBMFYSA-N 1 2 383.879 3.709 20 30 GHEDLO COC(=O)c1ccc(N2CC[N@@H+](Cc3cc(Cl)cc(C#N)c3)[C@@H](C)C2)cc1 ZINC001190778942 917559198 /nfs/dbraw/zinc/55/91/98/917559198.db2.gz CCNCDHXJNWSIQP-HNNXBMFYSA-N 1 2 383.879 3.709 20 30 GHEDLO CN(C)C(=O)Sc1cccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)c1 ZINC000121390944 918027669 /nfs/dbraw/zinc/02/76/69/918027669.db2.gz SZHNPQLLTSYSOI-NRFANRHFSA-N 1 2 394.544 3.843 20 30 GHEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000363289114 918035258 /nfs/dbraw/zinc/03/52/58/918035258.db2.gz RLUAPAWJUWILDU-RBUKOAKNSA-N 1 2 378.863 3.620 20 30 GHEDLO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000363289114 918035277 /nfs/dbraw/zinc/03/52/77/918035277.db2.gz RLUAPAWJUWILDU-RBUKOAKNSA-N 1 2 378.863 3.620 20 30 GHEDLO N#CCn1c(=O)c2ccccc2nc1C[NH+]1CCC(c2cccc(Cl)c2)CC1 ZINC000796537328 918116859 /nfs/dbraw/zinc/11/68/59/918116859.db2.gz YUHPXTAIKKEISV-UHFFFAOYSA-N 1 2 392.890 3.953 20 30 GHEDLO C=CCOc1ccc(CC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000296457311 918288504 /nfs/dbraw/zinc/28/85/04/918288504.db2.gz XGTPWBDVMVRAMQ-LJQANCHMSA-N 1 2 379.504 3.733 20 30 GHEDLO C=CCCn1cc(C[N@H+]2CCC[C@@H]2Cc2ccccc2Br)nn1 ZINC000653768541 918479892 /nfs/dbraw/zinc/47/98/92/918479892.db2.gz LNKXVZFXOKQSEK-QGZVFWFLSA-N 1 2 375.314 3.824 20 30 GHEDLO C=CCCn1cc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2Br)nn1 ZINC000653768541 918479896 /nfs/dbraw/zinc/47/98/96/918479896.db2.gz LNKXVZFXOKQSEK-QGZVFWFLSA-N 1 2 375.314 3.824 20 30 GHEDLO COc1cc(C)c(C[N@H+](C)CC(=O)Nc2ccccc2SCC#N)cc1OC ZINC000007454004 919275239 /nfs/dbraw/zinc/27/52/39/919275239.db2.gz WARXGSOPCQSWPE-UHFFFAOYSA-N 1 2 399.516 3.698 20 30 GHEDLO COc1cc(C)c(C[N@@H+](C)CC(=O)Nc2ccccc2SCC#N)cc1OC ZINC000007454004 919275248 /nfs/dbraw/zinc/27/52/48/919275248.db2.gz WARXGSOPCQSWPE-UHFFFAOYSA-N 1 2 399.516 3.698 20 30 GHEDLO COc1ccc(C)cc1NC(=O)[C@@H](C)O[NH+]=C(N)Cc1ccccc1Cl ZINC000113249284 919365264 /nfs/dbraw/zinc/36/52/64/919365264.db2.gz DRWAZXYSFHAWFH-CYBMUJFWSA-N 1 2 375.856 3.516 20 30 GHEDLO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000369206963 923203306 /nfs/dbraw/zinc/20/33/06/923203306.db2.gz OOGLSPIRILSYDM-INIZCTEOSA-N 1 2 382.895 3.928 20 30 GHEDLO CC(C)(C)OC(=O)N1CCc2nc(C[N@@H+]3CCC[C@H](CC#N)C3)sc2C1 ZINC000826861904 924301067 /nfs/dbraw/zinc/30/10/67/924301067.db2.gz NGAOKFQEUFKXDR-CQSZACIVSA-N 1 2 376.526 3.562 20 30 GHEDLO CC(C)(C)OC(=O)N1CCc2nc(C[N@H+]3CCC[C@H](CC#N)C3)sc2C1 ZINC000826861904 924301072 /nfs/dbraw/zinc/30/10/72/924301072.db2.gz NGAOKFQEUFKXDR-CQSZACIVSA-N 1 2 376.526 3.562 20 30 GHEDLO CC(C)(CCC#N)C[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1 ZINC000827140097 924882793 /nfs/dbraw/zinc/88/27/93/924882793.db2.gz HTYSZSLSTXDCNZ-IAGOWNOFSA-N 1 2 399.432 3.992 20 30 GHEDLO CC(C)(CCC#N)C[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C(F)(F)F)C1 ZINC000827140097 924882808 /nfs/dbraw/zinc/88/28/08/924882808.db2.gz HTYSZSLSTXDCNZ-IAGOWNOFSA-N 1 2 399.432 3.992 20 30 GHEDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 ZINC000373104989 925863282 /nfs/dbraw/zinc/86/32/82/925863282.db2.gz SZTXALNHIAALLB-IBGZPJMESA-N 1 2 385.471 3.626 20 30 GHEDLO N#CCCCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c(Cl)cc(O)cc1Cl ZINC001276165355 926419722 /nfs/dbraw/zinc/41/97/22/926419722.db2.gz WESTZIIGPKFXEJ-IBGZPJMESA-N 1 2 396.318 3.960 20 30 GHEDLO N#CCCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c(Cl)cc(O)cc1Cl ZINC001276165355 926419727 /nfs/dbraw/zinc/41/97/27/926419727.db2.gz WESTZIIGPKFXEJ-IBGZPJMESA-N 1 2 396.318 3.960 20 30 GHEDLO N#Cc1ccc(CSCC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000374455585 927163407 /nfs/dbraw/zinc/16/34/07/927163407.db2.gz BGEOOUOTPNKWDN-IBGZPJMESA-N 1 2 394.544 3.730 20 30 GHEDLO Cc1cc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)c(C#N)cc1[N+](=O)[O-] ZINC000413238575 928352551 /nfs/dbraw/zinc/35/25/51/928352551.db2.gz YJNSZEPZKJAZMV-UHFFFAOYSA-N 1 2 387.443 3.777 20 30 GHEDLO C=CCNC(=O)c1ccc(NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000543964121 928627255 /nfs/dbraw/zinc/62/72/55/928627255.db2.gz AXLYUQFOVKXITE-UHFFFAOYSA-N 1 2 395.507 3.523 20 30 GHEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000467196718 928813741 /nfs/dbraw/zinc/81/37/41/928813741.db2.gz QHAXNDIBISAXMB-HXUWFJFHSA-N 1 2 380.536 3.818 20 30 GHEDLO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000467196718 928813751 /nfs/dbraw/zinc/81/37/51/928813751.db2.gz QHAXNDIBISAXMB-HXUWFJFHSA-N 1 2 380.536 3.818 20 30 GHEDLO CCc1ccc([C@@H](COC)[NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)o1 ZINC000544449593 929198826 /nfs/dbraw/zinc/19/88/26/929198826.db2.gz NBFLTFQADDNHGS-GOSISDBHSA-N 1 2 389.883 3.719 20 30 GHEDLO C[N@H+](Cn1cccc(C#N)c1=O)[C@@H]1CCSc2ccc(Br)cc21 ZINC000758219608 929978098 /nfs/dbraw/zinc/97/80/98/929978098.db2.gz ILKLRHWFQYRLTG-OAHLLOKOSA-N 1 2 390.306 3.609 20 30 GHEDLO C[N@@H+](Cn1cccc(C#N)c1=O)[C@@H]1CCSc2ccc(Br)cc21 ZINC000758219608 929978101 /nfs/dbraw/zinc/97/81/01/929978101.db2.gz ILKLRHWFQYRLTG-OAHLLOKOSA-N 1 2 390.306 3.609 20 30 GHEDLO C=CCCCN(C)C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000546768470 930416154 /nfs/dbraw/zinc/41/61/54/930416154.db2.gz JKIMQGFSNKIWJS-UHFFFAOYSA-N 1 2 379.302 3.555 20 30 GHEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccc(SC(F)(F)F)c1 ZINC000781335984 930800895 /nfs/dbraw/zinc/80/08/95/930800895.db2.gz KTZZPOIISJRUCD-ZDUSSCGKSA-N 1 2 393.438 3.671 20 30 GHEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccc(SC(F)(F)F)c1 ZINC000781335984 930800900 /nfs/dbraw/zinc/80/09/00/930800900.db2.gz KTZZPOIISJRUCD-ZDUSSCGKSA-N 1 2 393.438 3.671 20 30 GHEDLO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2nc3ccccc3c(=O)n2CC#N)cc1 ZINC000782015449 931060910 /nfs/dbraw/zinc/06/09/10/931060910.db2.gz UWEIBSODVRMGSA-OAQYLSRUSA-N 1 2 388.471 3.656 20 30 GHEDLO CCOc1ccc([C@H]2CCC[N@H+]2Cc2nc3ccccc3c(=O)n2CC#N)cc1 ZINC000782015449 931060912 /nfs/dbraw/zinc/06/09/12/931060912.db2.gz UWEIBSODVRMGSA-OAQYLSRUSA-N 1 2 388.471 3.656 20 30 GHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000471041019 931111509 /nfs/dbraw/zinc/11/15/09/931111509.db2.gz MXLQRMJWIAUMLK-ZHRRBRCNSA-N 1 2 394.519 3.645 20 30 GHEDLO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000471041019 931111519 /nfs/dbraw/zinc/11/15/19/931111519.db2.gz MXLQRMJWIAUMLK-ZHRRBRCNSA-N 1 2 394.519 3.645 20 30 GHEDLO CCCCCCC[C@]1(C)NC(=O)N(N=Cc2cc(-n3cc[nH+]c3)cs2)C1=O ZINC000783813008 931664545 /nfs/dbraw/zinc/66/45/45/931664545.db2.gz XEAOVBSTBDUXJA-IBGZPJMESA-N 1 2 387.509 3.939 20 30 GHEDLO C=CCCN(OCc1ccccc1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000783874212 931700733 /nfs/dbraw/zinc/70/07/33/931700733.db2.gz ZSYBXSWJGGVKIZ-UHFFFAOYSA-N 1 2 392.415 3.931 20 30 GHEDLO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H]([NH2+]Cc2cccc(-c3cccnc3)c2)C1 ZINC000798275282 932588907 /nfs/dbraw/zinc/58/89/07/932588907.db2.gz PLGXWPAJNBKFSQ-WOJBJXKFSA-N 1 2 378.476 3.597 20 30 GHEDLO CC(C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cncc(C#N)c1 ZINC000929963121 933733659 /nfs/dbraw/zinc/73/36/59/933733659.db2.gz PYCNCURDDWRQSJ-UHFFFAOYSA-N 1 2 376.382 3.821 20 30 GHEDLO CC(C)[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cncc(C#N)c1 ZINC000929963121 933733664 /nfs/dbraw/zinc/73/36/64/933733664.db2.gz PYCNCURDDWRQSJ-UHFFFAOYSA-N 1 2 376.382 3.821 20 30 GHEDLO Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N1CCC[C@@H]1c1cccc(Cl)c1 ZINC001121323795 934627074 /nfs/dbraw/zinc/62/70/74/934627074.db2.gz DOOOANNMAGWBKY-LJQANCHMSA-N 1 2 398.942 3.903 20 30 GHEDLO CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)NCc2ccc(C#N)cc2F)C1 ZINC001123505186 935212844 /nfs/dbraw/zinc/21/28/44/935212844.db2.gz ZYMYYVFUZUCVBB-KRWDZBQOSA-N 1 2 383.471 3.738 20 30 GHEDLO CC(C)n1c[nH+]cc1CNC(=S)Nc1ccc(C#N)cc1Br ZINC001201133840 1014987381 /nfs/dbraw/zinc/98/73/81/1014987381.db2.gz CNGOANGKWFZENT-UHFFFAOYSA-N 1 2 378.299 3.585 20 30 GHEDLO Cc1ccc2[nH]cc(CCC(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)c2c1 ZINC000468029691 1015167901 /nfs/dbraw/zinc/16/79/01/1015167901.db2.gz ZACNRYHHUJMDSI-UHFFFAOYSA-N 1 2 386.499 3.625 20 30 GHEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1Cc2cc(OC)ccc2C[C@@H]1c1ccccc1 ZINC000469036505 1016360485 /nfs/dbraw/zinc/36/04/85/1016360485.db2.gz RDOVTQGJVBRFDU-WZONZLPQSA-N 1 2 391.515 3.803 20 30 GHEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1Cc2cc(OC)ccc2C[C@@H]1c1ccccc1 ZINC000469036505 1016360492 /nfs/dbraw/zinc/36/04/92/1016360492.db2.gz RDOVTQGJVBRFDU-WZONZLPQSA-N 1 2 391.515 3.803 20 30 GHEDLO CC(C)C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000558163629 1017129683 /nfs/dbraw/zinc/12/96/83/1017129683.db2.gz VXCQTBVPBMVXMK-HXUWFJFHSA-N 1 2 384.911 3.912 20 30 GHEDLO CC(C)C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000558163629 1017129689 /nfs/dbraw/zinc/12/96/89/1017129689.db2.gz VXCQTBVPBMVXMK-HXUWFJFHSA-N 1 2 384.911 3.912 20 30 GHEDLO N#Cc1ccc(Oc2cccc(C(=O)Nc3c[nH+]ccc3-n3ccnn3)c2)cc1 ZINC000568130583 1019377525 /nfs/dbraw/zinc/37/75/25/1019377525.db2.gz JYTGXYLBAQAXSM-UHFFFAOYSA-N 1 2 382.383 3.579 20 30 GHEDLO COc1cc(C#N)ccc1OC1CC[NH+](Cc2cnc3ccc(Cl)cn23)CC1 ZINC001140432010 1021690673 /nfs/dbraw/zinc/69/06/73/1021690673.db2.gz QXRRKHJBUGTVHC-UHFFFAOYSA-N 1 2 396.878 3.911 20 30 GHEDLO CCC[NH+]1CCN(c2ccccc2C=[NH+]Nc2ccc(C(=O)[O-])cc2F)CC1 ZINC000835012867 1021768218 /nfs/dbraw/zinc/76/82/18/1021768218.db2.gz YJFFLZIMPXZOFF-UHFFFAOYSA-N 1 2 384.455 3.502 20 30 GHEDLO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000681553368 1022306987 /nfs/dbraw/zinc/30/69/87/1022306987.db2.gz AOYHAMZDKNYXIM-ZDUSSCGKSA-N 1 2 392.272 3.562 20 30 GHEDLO Cn1c2ccccc2n(C2CC[NH+](Cc3cccc(C#N)c3Cl)CC2)c1=O ZINC001140809957 1022593202 /nfs/dbraw/zinc/59/32/02/1022593202.db2.gz OFMWLEOWZIHMHR-UHFFFAOYSA-N 1 2 380.879 3.702 20 30 GHEDLO C#Cc1ccc(CNC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000836295858 1022835098 /nfs/dbraw/zinc/83/50/98/1022835098.db2.gz FYLSOHJYWDUIJR-ROUUACIJSA-N 1 2 377.488 3.599 20 30 GHEDLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141112935 1023529754 /nfs/dbraw/zinc/52/97/54/1023529754.db2.gz PZZSDHJUJFECTH-QWRGUYRKSA-N 1 2 384.933 3.590 20 30 GHEDLO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141112935 1023529762 /nfs/dbraw/zinc/52/97/62/1023529762.db2.gz PZZSDHJUJFECTH-QWRGUYRKSA-N 1 2 384.933 3.590 20 30 GHEDLO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ncc(Cl)nc1Cl)[C@H]2CC ZINC001141134283 1023559225 /nfs/dbraw/zinc/55/92/25/1023559225.db2.gz WTJXVVWRUDXFIZ-KSSFIOAISA-N 1 2 383.323 3.705 20 30 GHEDLO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1ncc(Cl)nc1Cl)[C@H]2CC ZINC001141134283 1023559230 /nfs/dbraw/zinc/55/92/30/1023559230.db2.gz WTJXVVWRUDXFIZ-KSSFIOAISA-N 1 2 383.323 3.705 20 30 GHEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2c[nH]c3ccc(Br)cc23)C1 ZINC001138323276 1024662485 /nfs/dbraw/zinc/66/24/85/1024662485.db2.gz PCYXIFRBUSDCJM-HNNXBMFYSA-N 1 2 392.297 3.807 20 30 GHEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2c[nH]c3ccc(Br)cc23)C1 ZINC001138323276 1024662494 /nfs/dbraw/zinc/66/24/94/1024662494.db2.gz PCYXIFRBUSDCJM-HNNXBMFYSA-N 1 2 392.297 3.807 20 30 GHEDLO C#CCOc1ccc(C[NH+]2[C@H](C)CN(C(=O)OC(C)(C)C)C[C@H]2C)cc1OC ZINC001138346558 1024707933 /nfs/dbraw/zinc/70/79/33/1024707933.db2.gz ICVPSBZZKLIKIE-IAGOWNOFSA-N 1 2 388.508 3.537 20 30 GHEDLO C=CCOC[C@H]1C[N@@H+](Cc2ccc(OCC)cc2C)Cc2nnn(CC3CC3)c21 ZINC001138433646 1024835912 /nfs/dbraw/zinc/83/59/12/1024835912.db2.gz UKJRGKPXYDLIBY-HXUWFJFHSA-N 1 2 396.535 3.697 20 30 GHEDLO C=CCOC[C@H]1C[N@H+](Cc2ccc(OCC)cc2C)Cc2nnn(CC3CC3)c21 ZINC001138433646 1024835937 /nfs/dbraw/zinc/83/59/37/1024835937.db2.gz UKJRGKPXYDLIBY-HXUWFJFHSA-N 1 2 396.535 3.697 20 30 GHEDLO C#CCOc1ccc(C[NH+]2CCN(c3ncc(Cl)cc3Cl)CC2)cc1 ZINC001138557219 1025018103 /nfs/dbraw/zinc/01/81/03/1025018103.db2.gz BWODONBSYGPGGB-UHFFFAOYSA-N 1 2 376.287 3.723 20 30 GHEDLO C=C(C)COc1ccccc1C[N@@H+]1CCO[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC001138662749 1025183000 /nfs/dbraw/zinc/18/30/00/1025183000.db2.gz BPJPWCPUHOGWHD-LJQANCHMSA-N 1 2 390.524 3.757 20 30 GHEDLO C=C(C)COc1ccccc1C[N@H+]1CCO[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC001138662749 1025183005 /nfs/dbraw/zinc/18/30/05/1025183005.db2.gz BPJPWCPUHOGWHD-LJQANCHMSA-N 1 2 390.524 3.757 20 30 GHEDLO C#C[C@@H](NC(=O)N(CCCn1cc[nH+]c1)Cc1ccccc1OCC)C(C)C ZINC000838596900 1025226956 /nfs/dbraw/zinc/22/69/56/1025226956.db2.gz XLLIQOUKEFZZDE-HXUWFJFHSA-N 1 2 382.508 3.542 20 30 GHEDLO COc1cc(OC(F)(F)F)ccc1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC001138847445 1025462032 /nfs/dbraw/zinc/46/20/32/1025462032.db2.gz GJPGXIXHWBBOSS-UHFFFAOYSA-N 1 2 391.393 3.788 20 30 GHEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(COc2ccc(Cl)nc2)CC1 ZINC000838974862 1025491544 /nfs/dbraw/zinc/49/15/44/1025491544.db2.gz NBCWDMWQZBMCKI-UHFFFAOYSA-N 1 2 386.839 3.806 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3cc4cc(Cl)ccc4[nH]3)CC2)cc1 ZINC000839454490 1025943923 /nfs/dbraw/zinc/94/39/23/1025943923.db2.gz KLTYJQVELQXMKL-UHFFFAOYSA-N 1 2 392.890 3.580 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1Cc1cccc2c1ccn2CC ZINC001139153350 1025972959 /nfs/dbraw/zinc/97/29/59/1025972959.db2.gz QLIFPCLJSZGEEF-OAQYLSRUSA-N 1 2 379.508 3.575 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1Cc1cccc2c1ccn2CC ZINC001139153350 1025972964 /nfs/dbraw/zinc/97/29/64/1025972964.db2.gz QLIFPCLJSZGEEF-OAQYLSRUSA-N 1 2 379.508 3.575 20 30 GHEDLO NC(=O)c1ccc(OC(F)(F)F)c(NC(=[NH2+])c2ccc(C(F)(F)F)cc2)c1 ZINC001163684772 1026282877 /nfs/dbraw/zinc/28/28/77/1026282877.db2.gz BGCTVIXHZVEEOX-UHFFFAOYSA-N 1 2 391.271 3.740 20 30 GHEDLO N#Cc1ccc(Oc2ccc(C[N@H+]3CCCN(C(=O)C4CCC4)CC3)cn2)cc1 ZINC001139425340 1026296170 /nfs/dbraw/zinc/29/61/70/1026296170.db2.gz KKSROOHOGRJQJL-UHFFFAOYSA-N 1 2 390.487 3.580 20 30 GHEDLO N#Cc1ccc(Oc2ccc(C[N@@H+]3CCCN(C(=O)C4CCC4)CC3)cn2)cc1 ZINC001139425340 1026296184 /nfs/dbraw/zinc/29/61/84/1026296184.db2.gz KKSROOHOGRJQJL-UHFFFAOYSA-N 1 2 390.487 3.580 20 30 GHEDLO CCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001139425963 1026296842 /nfs/dbraw/zinc/29/68/42/1026296842.db2.gz YTWTZDVZHSLLRP-FQEVSTJZSA-N 1 2 378.476 3.626 20 30 GHEDLO CCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001139425963 1026296852 /nfs/dbraw/zinc/29/68/52/1026296852.db2.gz YTWTZDVZHSLLRP-FQEVSTJZSA-N 1 2 378.476 3.626 20 30 GHEDLO CN(C)c1ncc2cc([NH+]=C(NO)c3ccc(OC(F)(F)F)cc3)ccc2n1 ZINC001163766233 1026308951 /nfs/dbraw/zinc/30/89/51/1026308951.db2.gz YTTCEOLXJZPHSJ-UHFFFAOYSA-N 1 2 391.353 3.652 20 30 GHEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1cc(Cl)ncc1Br)CC2 ZINC001139803033 1026626208 /nfs/dbraw/zinc/62/62/08/1026626208.db2.gz WWYBYEIVXKLMHE-UHFFFAOYSA-N 1 2 398.732 3.641 20 30 GHEDLO N#Cc1ccc2cc[nH+]c(N3CCC4(CC3)CN(c3ccccc3)C(=O)CO4)c2c1 ZINC001165616682 1026777656 /nfs/dbraw/zinc/77/76/56/1026777656.db2.gz ACYJQQUAWLULJM-UHFFFAOYSA-N 1 2 398.466 3.509 20 30 GHEDLO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1cc(Br)cnc1F)C2 ZINC001140004096 1026791523 /nfs/dbraw/zinc/79/15/23/1026791523.db2.gz ZPXXPDVDJACNHD-SJLPKXTDSA-N 1 2 399.304 3.557 20 30 GHEDLO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1cc(Br)cnc1F)C2 ZINC001140004096 1026791529 /nfs/dbraw/zinc/79/15/29/1026791529.db2.gz ZPXXPDVDJACNHD-SJLPKXTDSA-N 1 2 399.304 3.557 20 30 GHEDLO N#CCc1cc[nH+]c(N2CCC(C3CCN(C(=O)c4ccccc4)CC3)CC2)c1 ZINC001166623877 1027043153 /nfs/dbraw/zinc/04/31/53/1027043153.db2.gz QZIXSAAGZFAJOI-UHFFFAOYSA-N 1 2 388.515 3.916 20 30 GHEDLO Cc1ccc(C#N)cc1Nc1ccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC001210501555 1027536251 /nfs/dbraw/zinc/53/62/51/1027536251.db2.gz KVFPSPLBYZRBJC-UHFFFAOYSA-N 1 2 397.482 3.968 20 30 GHEDLO C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC001142221980 1028409321 /nfs/dbraw/zinc/40/93/21/1028409321.db2.gz LDCFJYAHMOXCNB-IAGOWNOFSA-N 1 2 392.544 3.664 20 30 GHEDLO N#Cc1ccc(F)c(Nc2cc(I)c3[nH+]ccn3c2)c1 ZINC001214593717 1028809196 /nfs/dbraw/zinc/80/91/96/1028809196.db2.gz HKINNMHUHSNXNR-UHFFFAOYSA-N 1 2 378.148 3.693 20 30 GHEDLO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2cc[nH+]c(NCC)c2)cc1 ZINC001214912560 1028962509 /nfs/dbraw/zinc/96/25/09/1028962509.db2.gz ZJVFFNOOQDGQIW-UHFFFAOYSA-N 1 2 393.491 3.649 20 30 GHEDLO C=CCn1c(-c2ccccn2)nn(C[N@H+]2CC3(C[C@H]2C)CCOCC3)c1=S ZINC000842640143 1029447161 /nfs/dbraw/zinc/44/71/61/1029447161.db2.gz VGHRTYBTDADAKZ-MRXNPFEDSA-N 1 2 385.537 3.511 20 30 GHEDLO C=CCn1c(-c2ccccn2)nn(C[N@@H+]2CC3(C[C@H]2C)CCOCC3)c1=S ZINC000842640143 1029447172 /nfs/dbraw/zinc/44/71/72/1029447172.db2.gz VGHRTYBTDADAKZ-MRXNPFEDSA-N 1 2 385.537 3.511 20 30 GHEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(F)cc(F)cc1Br ZINC001276845194 1030329855 /nfs/dbraw/zinc/32/98/55/1030329855.db2.gz NCHRTQLYUKTZNG-IAGOWNOFSA-N 1 2 399.279 3.869 20 30 GHEDLO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c(F)cc(F)cc1Br ZINC001276845194 1030329871 /nfs/dbraw/zinc/32/98/71/1030329871.db2.gz NCHRTQLYUKTZNG-IAGOWNOFSA-N 1 2 399.279 3.869 20 30 GHEDLO N#Cc1ccccc1Sc1ccccc1C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001150701435 1030618091 /nfs/dbraw/zinc/61/80/91/1030618091.db2.gz MGMOIOQVBBMSSL-UHFFFAOYSA-N 1 2 386.480 3.885 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(Cl)cnc1OCC ZINC001276995839 1031113439 /nfs/dbraw/zinc/11/34/39/1031113439.db2.gz BQGGMQOZRPSVCS-FQEVSTJZSA-N 1 2 377.916 3.667 20 30 GHEDLO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Cl)cnc1OCC ZINC001276995839 1031113450 /nfs/dbraw/zinc/11/34/50/1031113450.db2.gz BQGGMQOZRPSVCS-FQEVSTJZSA-N 1 2 377.916 3.667 20 30 GHEDLO Cc1ccc2c(n1)N(Cc1cccnc1)CC[N@@H+](Cc1ccc(F)c(C#N)c1)C2 ZINC001205472501 1033428132 /nfs/dbraw/zinc/42/81/32/1033428132.db2.gz DROBLZOVQFJCTB-UHFFFAOYSA-N 1 2 387.462 3.818 20 30 GHEDLO Cc1ccc2c(n1)N(Cc1cccnc1)CC[N@H+](Cc1ccc(F)c(C#N)c1)C2 ZINC001205472501 1033428137 /nfs/dbraw/zinc/42/81/37/1033428137.db2.gz DROBLZOVQFJCTB-UHFFFAOYSA-N 1 2 387.462 3.818 20 30 GHEDLO COC(=O)c1c[nH]c2nc[nH+]c(NC3=C(c4ccccc4)C(=O)c4ccccc43)c12 ZINC001157620540 1033696214 /nfs/dbraw/zinc/69/62/14/1033696214.db2.gz NUMGBNWVJUKPNW-UHFFFAOYSA-N 1 2 396.406 3.921 20 30 GHEDLO CCCCOC(=O)[C@@H](C)Oc1nc(C)c(-c2ccc3[nH+]ccn3c2)cc1C#N ZINC001229766514 1033697833 /nfs/dbraw/zinc/69/78/33/1033697833.db2.gz PUJHDWGQTHKBCF-OAHLLOKOSA-N 1 2 378.432 3.687 20 30 GHEDLO N#CC1(c2ccccc2-c2ccc(C[NH+]3CCOCC3)cc2F)CCOCC1 ZINC001206733846 1033962821 /nfs/dbraw/zinc/96/28/21/1033962821.db2.gz DOGAPVGQHUZQEL-UHFFFAOYSA-N 1 2 380.463 3.897 20 30 GHEDLO COC(=O)c1cc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)n2c1CCCC2 ZINC001461884259 1069834365 /nfs/dbraw/zinc/83/43/65/1069834365.db2.gz RXKRYDZVPFLUMO-LEWJYISDSA-N 1 2 377.488 3.883 20 30 GHEDLO COC(=O)c1cc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)n2c1CCCC2 ZINC001461884259 1069834391 /nfs/dbraw/zinc/83/43/91/1069834391.db2.gz RXKRYDZVPFLUMO-LEWJYISDSA-N 1 2 377.488 3.883 20 30 GHEDLO C=CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(OC)c(Cl)c(F)c1F)CC2 ZINC001276523587 1034273832 /nfs/dbraw/zinc/27/38/32/1034273832.db2.gz UJCNTCUGOYVNCY-ZDUSSCGKSA-N 1 2 384.854 3.531 20 30 GHEDLO CN(C)C(=O)c1cc2c[nH+]c(NC3=CC(=O)CC(C)(C)C3)nc2n1C1CCCC1 ZINC001158953694 1034356752 /nfs/dbraw/zinc/35/67/52/1034356752.db2.gz LRKWWZPPJIHFSB-UHFFFAOYSA-N 1 2 395.507 3.933 20 30 GHEDLO CCC(=O)c1cccc(C(=O)OC)c1O[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001231080168 1034382976 /nfs/dbraw/zinc/38/29/76/1034382976.db2.gz OGBSHANITJFXDX-SFHVURJKSA-N 1 2 392.455 3.591 20 30 GHEDLO CCC(=O)c1cccc(C(=O)OC)c1O[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001231080168 1034382989 /nfs/dbraw/zinc/38/29/89/1034382989.db2.gz OGBSHANITJFXDX-SFHVURJKSA-N 1 2 392.455 3.591 20 30 GHEDLO C=CCOc1cccc(C[N@H+]2CCO[C@H]3[C@@H](Oc4ncccc4F)CC[C@@H]32)c1 ZINC001231622811 1034781851 /nfs/dbraw/zinc/78/18/51/1034781851.db2.gz JGHRNGPREZUMSR-PCCBWWKXSA-N 1 2 384.451 3.596 20 30 GHEDLO C=CCOc1cccc(C[N@@H+]2CCO[C@H]3[C@@H](Oc4ncccc4F)CC[C@@H]32)c1 ZINC001231622811 1034781863 /nfs/dbraw/zinc/78/18/63/1034781863.db2.gz JGHRNGPREZUMSR-PCCBWWKXSA-N 1 2 384.451 3.596 20 30 GHEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1Cc1ccccc1-c1ccc(F)cc1 ZINC001231821890 1034929459 /nfs/dbraw/zinc/92/94/59/1034929459.db2.gz GRWGOYMHJKGYFA-QFIPXVFZSA-N 1 2 392.478 3.923 20 30 GHEDLO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1Cc1ccccc1-c1ccc(F)cc1 ZINC001231821890 1034929463 /nfs/dbraw/zinc/92/94/63/1034929463.db2.gz GRWGOYMHJKGYFA-QFIPXVFZSA-N 1 2 392.478 3.923 20 30 GHEDLO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1ncc(Br)cc1F)C2 ZINC001231986574 1035025246 /nfs/dbraw/zinc/02/52/46/1035025246.db2.gz UUVBFMLBRHOVRF-ROUUACIJSA-N 1 2 399.304 3.557 20 30 GHEDLO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1ncc(Br)cc1F)C2 ZINC001231986574 1035025254 /nfs/dbraw/zinc/02/52/54/1035025254.db2.gz UUVBFMLBRHOVRF-ROUUACIJSA-N 1 2 399.304 3.557 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[N@H+](CCCc2ccc(C#N)cc2)C[C@@H]1C(F)(F)F ZINC001208864363 1035065896 /nfs/dbraw/zinc/06/58/96/1035065896.db2.gz QJIGARPCWGXFBK-QGZVFWFLSA-N 1 2 397.441 3.974 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[N@@H+](CCCc2ccc(C#N)cc2)C[C@@H]1C(F)(F)F ZINC001208864363 1035065903 /nfs/dbraw/zinc/06/59/03/1035065903.db2.gz QJIGARPCWGXFBK-QGZVFWFLSA-N 1 2 397.441 3.974 20 30 GHEDLO N#Cc1cc(-c2ccnc(Cl)n2)c(NC2CN(c3cccc[nH+]3)C2)cc1F ZINC001161320284 1035208880 /nfs/dbraw/zinc/20/88/80/1035208880.db2.gz CKACGJWMWGZRIC-UHFFFAOYSA-N 1 2 380.814 3.503 20 30 GHEDLO Cn1cc(C[NH+]2CC3(CN(Cc4c(F)ccc(Cl)c4Cl)C3)C2)cc1C#N ZINC001278340438 1035799296 /nfs/dbraw/zinc/79/92/96/1035799296.db2.gz KWNFBDCTPNCHFB-UHFFFAOYSA-N 1 2 393.293 3.660 20 30 GHEDLO CN(C)/C=[NH+]/c1ccc(-c2ccc(CN3CCOCC3)c(Cl)c2)cc1C#N ZINC001244811628 1036663946 /nfs/dbraw/zinc/66/39/46/1036663946.db2.gz GZGQENLIPHWUAJ-BUVRLJJBSA-N 1 2 382.895 3.932 20 30 GHEDLO C=CCC[C@@H]([NH3+])c1nc(-c2ccccc2CS(=O)(=O)c2ccccc2)no1 ZINC001247622138 1038278865 /nfs/dbraw/zinc/27/88/65/1038278865.db2.gz GSJNECXSQCRITQ-GOSISDBHSA-N 1 2 383.473 3.677 20 30 GHEDLO CCOC(=O)c1ccc(C[NH+]2CCN(c3cccc(C#N)c3)CC2)c(Cl)c1 ZINC001232593650 1038367019 /nfs/dbraw/zinc/36/70/19/1038367019.db2.gz HTWOUTPPBXJASF-UHFFFAOYSA-N 1 2 383.879 3.711 20 30 GHEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1ccc(-n3cccn3)cc1Cl)CC2 ZINC001232595517 1038369699 /nfs/dbraw/zinc/36/96/99/1038369699.db2.gz BOLVRPPMXVASEU-UHFFFAOYSA-N 1 2 397.910 3.520 20 30 GHEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1ccc(-n3cccn3)cc1Cl)CC2 ZINC001232595517 1038369716 /nfs/dbraw/zinc/36/97/16/1038369716.db2.gz BOLVRPPMXVASEU-UHFFFAOYSA-N 1 2 397.910 3.520 20 30 GHEDLO N#Cc1ccc(O)c(C[NH+]2CCC3(CCN(C(=O)c4cccs4)CC3)CC2)c1 ZINC001232678073 1038476170 /nfs/dbraw/zinc/47/61/70/1038476170.db2.gz VMFFCBHPVZLEKO-UHFFFAOYSA-N 1 2 395.528 3.844 20 30 GHEDLO Cc1nc(CN2C(=O)CCC23CC[NH+](Cc2cc(F)ccc2C#N)CC3)cs1 ZINC001232889318 1038674006 /nfs/dbraw/zinc/67/40/06/1038674006.db2.gz FPIDAUOFMSHIBS-UHFFFAOYSA-N 1 2 398.507 3.620 20 30 GHEDLO C=CCOC[C@H](O)CNc1[nH+]cnc2c1c(-c1ccc(C)cc1)nn2C(C)(C)C ZINC001252455573 1038996535 /nfs/dbraw/zinc/99/65/35/1038996535.db2.gz DAVLLZNVEALKDM-QGZVFWFLSA-N 1 2 395.507 3.532 20 30 GHEDLO CCCCCCCCCCCCOCCOC[C@@H](O)C[NH+]1CCC(=O)CC1 ZINC001253617027 1039728529 /nfs/dbraw/zinc/72/85/29/1039728529.db2.gz YWAXBDRIINSWAD-QFIPXVFZSA-N 1 2 385.589 3.966 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2sc(Br)cc2C)C1=O ZINC001277849125 1039981244 /nfs/dbraw/zinc/98/12/44/1039981244.db2.gz PTVZYPZHTXLHHU-QGZVFWFLSA-N 1 2 383.355 3.962 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+]2Cc2sc(Br)cc2C)C1=O ZINC001277849125 1039981237 /nfs/dbraw/zinc/98/12/37/1039981237.db2.gz PTVZYPZHTXLHHU-QGZVFWFLSA-N 1 2 383.355 3.962 20 30 GHEDLO C=CCO[C@H]1CC[N@@H+](CC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccco2)C1 ZINC001254556956 1040325697 /nfs/dbraw/zinc/32/56/97/1040325697.db2.gz NOCOFOQROMGJEL-FPOVZHCZSA-N 1 2 393.487 3.543 20 30 GHEDLO C=CCO[C@H]1CC[N@H+](CC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccco2)C1 ZINC001254556956 1040325714 /nfs/dbraw/zinc/32/57/14/1040325714.db2.gz NOCOFOQROMGJEL-FPOVZHCZSA-N 1 2 393.487 3.543 20 30 GHEDLO C=C[C@@H]1C[C@]1([NH2+][C@H]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2)C(=O)OCC ZINC001254734333 1040492586 /nfs/dbraw/zinc/49/25/86/1040492586.db2.gz TTWOVTRZVANQNK-HYFFOGBASA-N 1 2 392.540 3.654 20 30 GHEDLO CC[C@@H](CC#N)[NH+](Cc1ccc2c(c1)OCCO2)Cc1ccc2c(c1)OCCO2 ZINC001255175520 1040887483 /nfs/dbraw/zinc/88/74/83/1040887483.db2.gz PVSWSJJJOVDREM-IBGZPJMESA-N 1 2 394.471 3.923 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@@H]2C[N@H+](Cc3c(F)cc(C#N)cc3F)C[C@@H]21 ZINC001235654359 1041103553 /nfs/dbraw/zinc/10/35/53/1041103553.db2.gz PBGRWAUNNKYSNP-KDOFPFPSSA-N 1 2 377.435 3.668 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC[C@@H]2C[N@@H+](Cc3c(F)cc(C#N)cc3F)C[C@@H]21 ZINC001235654359 1041103568 /nfs/dbraw/zinc/10/35/68/1041103568.db2.gz PBGRWAUNNKYSNP-KDOFPFPSSA-N 1 2 377.435 3.668 20 30 GHEDLO C=CCOCc1ncn2c1C[N@H+](Cc1ccc(O)cc1OC(F)(F)F)CCC2 ZINC001236724806 1041858610 /nfs/dbraw/zinc/85/86/10/1041858610.db2.gz SEAXOODDYRKQGJ-UHFFFAOYSA-N 1 2 397.397 3.596 20 30 GHEDLO C=CCOCc1ncn2c1C[N@@H+](Cc1ccc(O)cc1OC(F)(F)F)CCC2 ZINC001236724806 1041858613 /nfs/dbraw/zinc/85/86/13/1041858613.db2.gz SEAXOODDYRKQGJ-UHFFFAOYSA-N 1 2 397.397 3.596 20 30 GHEDLO CC(C)(C)OC(=O)NCCC1C[NH+](Cc2ccc(C#N)c(Br)c2)C1 ZINC001236862652 1041933161 /nfs/dbraw/zinc/93/31/61/1041933161.db2.gz USHNZDQWUCHQLQ-UHFFFAOYSA-N 1 2 394.313 3.667 20 30 GHEDLO C#CCOc1cccc(Cl)c1C[N@H+]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001462584727 1070390517 /nfs/dbraw/zinc/39/05/17/1070390517.db2.gz MKVODXXDULJJOE-HNNXBMFYSA-N 1 2 378.900 3.841 20 30 GHEDLO C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001462584727 1070390535 /nfs/dbraw/zinc/39/05/35/1070390535.db2.gz MKVODXXDULJJOE-HNNXBMFYSA-N 1 2 378.900 3.841 20 30 GHEDLO CC(C)COC[C@H]1C[N@H+](Cc2cn(C)c3ccc(C#N)cc23)Cc2ncn(C)c21 ZINC001237469484 1042222136 /nfs/dbraw/zinc/22/21/36/1042222136.db2.gz VQKCIMXETBFFBZ-LJQANCHMSA-N 1 2 391.519 3.555 20 30 GHEDLO CC(C)COC[C@H]1C[N@@H+](Cc2cn(C)c3ccc(C#N)cc23)Cc2ncn(C)c21 ZINC001237469484 1042222141 /nfs/dbraw/zinc/22/21/41/1042222141.db2.gz VQKCIMXETBFFBZ-LJQANCHMSA-N 1 2 391.519 3.555 20 30 GHEDLO CC(C)(C)OC(=O)N1CCC12CC[NH+](Cc1cc(C#N)c(F)cc1F)CC2 ZINC001237523796 1042249975 /nfs/dbraw/zinc/24/99/75/1042249975.db2.gz DNBUYVRFYRCQMC-UHFFFAOYSA-N 1 2 377.435 3.812 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@]2(CCC[N@@H+]2Cc2cc(C#N)c(F)cc2F)C1 ZINC001237525936 1042251362 /nfs/dbraw/zinc/25/13/62/1042251362.db2.gz XBLYKKPCYZYWPF-HXUWFJFHSA-N 1 2 377.435 3.812 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[C@]2(CCC[N@H+]2Cc2cc(C#N)c(F)cc2F)C1 ZINC001237525936 1042251366 /nfs/dbraw/zinc/25/13/66/1042251366.db2.gz XBLYKKPCYZYWPF-HXUWFJFHSA-N 1 2 377.435 3.812 20 30 GHEDLO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccc(Cl)c(C#N)c3)CC2)cc1 ZINC001238197975 1042516590 /nfs/dbraw/zinc/51/65/90/1042516590.db2.gz DCVGFLZISVQYQJ-UHFFFAOYSA-N 1 2 383.879 3.711 20 30 GHEDLO COCCOc1ccc(N2CC[NH+](Cc3ccc(Cl)c(C#N)c3)CC2)cc1 ZINC001238199673 1042517493 /nfs/dbraw/zinc/51/74/93/1042517493.db2.gz XOIQADSVCDTDRC-UHFFFAOYSA-N 1 2 385.895 3.559 20 30 GHEDLO COc1cc(C[N@@H+]2CCO[C@]3(CCCN(c4cccc(C)c4)C3)C2)ccc1C#N ZINC001238405835 1042586357 /nfs/dbraw/zinc/58/63/57/1042586357.db2.gz JMONAMDWSMLNAP-XMMPIXPASA-N 1 2 391.515 3.747 20 30 GHEDLO COc1cc(C[N@H+]2CCO[C@]3(CCCN(c4cccc(C)c4)C3)C2)ccc1C#N ZINC001238405835 1042586359 /nfs/dbraw/zinc/58/63/59/1042586359.db2.gz JMONAMDWSMLNAP-XMMPIXPASA-N 1 2 391.515 3.747 20 30 GHEDLO COc1cc(C#N)ccc1OC1CC[NH+](Cc2ccc(F)c(F)c2OC)CC1 ZINC001238474106 1042609570 /nfs/dbraw/zinc/60/95/70/1042609570.db2.gz UPOWJLMPFBQJCL-UHFFFAOYSA-N 1 2 388.414 3.897 20 30 GHEDLO CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1ccc(C#N)c(CC)c1)CC2 ZINC001238760520 1042717645 /nfs/dbraw/zinc/71/76/45/1042717645.db2.gz MNQTZSQHSQELBW-UHFFFAOYSA-N 1 2 378.520 3.822 20 30 GHEDLO CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1ccc(C#N)c(CC)c1)CC2 ZINC001238760520 1042717652 /nfs/dbraw/zinc/71/76/52/1042717652.db2.gz MNQTZSQHSQELBW-UHFFFAOYSA-N 1 2 378.520 3.822 20 30 GHEDLO N#Cc1cc(C[N@@H+]2CCCC3(CN(Cc4ccc[nH]4)C3)C2)ccc1Br ZINC001278940904 1043430822 /nfs/dbraw/zinc/43/08/22/1043430822.db2.gz AYQVVVIYPFFTRP-UHFFFAOYSA-N 1 2 399.336 3.747 20 30 GHEDLO N#Cc1cc(C[N@H+]2CCCC3(CN(Cc4ccc[nH]4)C3)C2)ccc1Br ZINC001278940904 1043430827 /nfs/dbraw/zinc/43/08/27/1043430827.db2.gz AYQVVVIYPFFTRP-UHFFFAOYSA-N 1 2 399.336 3.747 20 30 GHEDLO COC(=O)[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1CCN(c2ccccc2Cl)CC1 ZINC001258541794 1044616409 /nfs/dbraw/zinc/61/64/09/1044616409.db2.gz YYXRHVRUKWTEKP-HXUWFJFHSA-N 1 2 397.906 3.554 20 30 GHEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC[C@@H](CC#N)C1 ZINC001262977977 1046463999 /nfs/dbraw/zinc/46/39/99/1046463999.db2.gz TWZKMOVIJZRTFW-QUCCMNQESA-N 1 2 378.524 3.787 20 30 GHEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC[C@@H](CC#N)C1 ZINC001262977977 1046464005 /nfs/dbraw/zinc/46/40/05/1046464005.db2.gz TWZKMOVIJZRTFW-QUCCMNQESA-N 1 2 378.524 3.787 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCC(CCOC)CC1 ZINC001262980164 1046464941 /nfs/dbraw/zinc/46/49/41/1046464941.db2.gz GDWFYIHXFVPJDP-LJQANCHMSA-N 1 2 386.544 3.549 20 30 GHEDLO C[C@H]1CCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2Cc2ccccc2)[C@H]1C ZINC001263161315 1046601580 /nfs/dbraw/zinc/60/15/80/1046601580.db2.gz BQHQIPGLPOWCTN-OALUTQOASA-N 1 2 392.551 3.654 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC[C@H](C)[C@H](OC)C1 ZINC001263305314 1046703276 /nfs/dbraw/zinc/70/32/76/1046703276.db2.gz VZILWZXXJCCGDP-IPMKNSEASA-N 1 2 386.544 3.547 20 30 GHEDLO CC(C)c1nnc(N(C)C[C@H](C)C#N)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001301953104 1046759692 /nfs/dbraw/zinc/75/96/92/1046759692.db2.gz QFIIGJGTSOYYPI-GOSISDBHSA-N 1 2 395.555 3.821 20 30 GHEDLO CC(C)C[C@H](c1nnc(N(C)[C@@H]2CCC[C@@H]2C#N)n1CC(C)C)n1cc[nH+]c1 ZINC001263412987 1046795518 /nfs/dbraw/zinc/79/55/18/1046795518.db2.gz NPNQTQHTRZVWBV-GUDVDZBRSA-N 1 2 383.544 3.895 20 30 GHEDLO N#Cc1c(Br)cccc1OCC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC001264605426 1047388412 /nfs/dbraw/zinc/38/84/12/1047388412.db2.gz GDIYWALYHGSTBT-UHFFFAOYSA-N 1 2 397.232 3.524 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(C3CCCC3)n2C[C@H](CC)c2ccccc2)CC1 ZINC001286480266 1048335856 /nfs/dbraw/zinc/33/58/56/1048335856.db2.gz UIKPOXMSFBHLMV-FQEVSTJZSA-N 1 2 391.563 3.885 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2Cc2c(C)oc3ccccc32)CC1 ZINC001286472234 1048335888 /nfs/dbraw/zinc/33/58/88/1048335888.db2.gz RIRFWCGFLMJQJR-QGZVFWFLSA-N 1 2 391.519 3.650 20 30 GHEDLO C=CCN(C)c1nnc(CC(C)(C)C)n1Cc1cc[nH+]c(N2CCCCC2)c1 ZINC001286726242 1048483338 /nfs/dbraw/zinc/48/33/38/1048483338.db2.gz CIHLJIPQKGXIPL-UHFFFAOYSA-N 1 2 382.556 3.923 20 30 GHEDLO C[C@H](C#N)CN(C)c1nnc(C2CC2)n1Cc1ccc(N2CCCCCC2)[nH+]c1 ZINC001286967348 1048558975 /nfs/dbraw/zinc/55/89/75/1048558975.db2.gz ZDIDVVPJIUZXBS-QGZVFWFLSA-N 1 2 393.539 3.575 20 30 GHEDLO Cc1cn2c([nH+]1)[C@@H](Cn1c(CC(C)(C)C)nnc1N(C)[C@@H](C)CC#N)CCC2 ZINC001290288087 1049791621 /nfs/dbraw/zinc/79/16/21/1049791621.db2.gz WOZXWSVPQIRULK-DLBZAZTESA-N 1 2 383.544 3.688 20 30 GHEDLO N#CC1(c2ccccn2)CC[NH+](Cc2sc(N3CCCC3)nc2Cl)CC1 ZINC001308717274 1050070299 /nfs/dbraw/zinc/07/02/99/1050070299.db2.gz DCFLTTVAFZIOIZ-UHFFFAOYSA-N 1 2 387.940 3.849 20 30 GHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c1=S ZINC001333606283 1051784172 /nfs/dbraw/zinc/78/41/72/1051784172.db2.gz QCGVLOQKUSFIGA-RBUKOAKNSA-N 1 2 384.549 3.649 20 30 GHEDLO C=CCn1c(Cc2ccccc2)nn(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c1=S ZINC001333606283 1051784185 /nfs/dbraw/zinc/78/41/85/1051784185.db2.gz QCGVLOQKUSFIGA-RBUKOAKNSA-N 1 2 384.549 3.649 20 30 GHEDLO C=CCc1cc(C(=O)Nc2nc(C[NH+](CC)CC)cs2)cc(OC)c1OC ZINC001334538742 1051952452 /nfs/dbraw/zinc/95/24/52/1051952452.db2.gz RGLCGJQLOTWYFY-UHFFFAOYSA-N 1 2 389.521 3.983 20 30 GHEDLO CSc1[nH]c(=O)c(C(=O)Nc2cccc3c2C[N@H+](CCC(C)C)C3)cc1C#N ZINC001336915642 1052363913 /nfs/dbraw/zinc/36/39/13/1052363913.db2.gz FYHJAFZBNJOPJK-UHFFFAOYSA-N 1 2 396.516 3.995 20 30 GHEDLO CSc1[nH]c(=O)c(C(=O)Nc2cccc3c2C[N@@H+](CCC(C)C)C3)cc1C#N ZINC001336915642 1052363921 /nfs/dbraw/zinc/36/39/21/1052363921.db2.gz FYHJAFZBNJOPJK-UHFFFAOYSA-N 1 2 396.516 3.995 20 30 GHEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC(F)(F)CC1 ZINC001342298117 1053085586 /nfs/dbraw/zinc/08/55/86/1053085586.db2.gz GRQBIIFUQAJPCT-MRXNPFEDSA-N 1 2 375.467 3.893 20 30 GHEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC(F)(F)CC1 ZINC001342298117 1053085602 /nfs/dbraw/zinc/08/56/02/1053085602.db2.gz GRQBIIFUQAJPCT-MRXNPFEDSA-N 1 2 375.467 3.893 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CCC[C@H]1c1ccc(COC)o1 ZINC001343456543 1053782747 /nfs/dbraw/zinc/78/27/47/1053782747.db2.gz GUGWSSQMZWQJKB-ROUUACIJSA-N 1 2 385.512 3.702 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CCC[C@H]1c1ccc(COC)o1 ZINC001343456543 1053782754 /nfs/dbraw/zinc/78/27/54/1053782754.db2.gz GUGWSSQMZWQJKB-ROUUACIJSA-N 1 2 385.512 3.702 20 30 GHEDLO CC(C)Cn1c([C@@H]2C[C@@H]2C#N)nnc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC001343559275 1053879674 /nfs/dbraw/zinc/87/96/74/1053879674.db2.gz SBECLDKWOJOLIR-QZTJIDSGSA-N 1 2 398.942 3.537 20 30 GHEDLO C[N@@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@@H](CC#N)C2)n1Cc1cccs1 ZINC001343637409 1053941192 /nfs/dbraw/zinc/94/11/92/1053941192.db2.gz VZOCRXJULLJLNF-FUHWJXTLSA-N 1 2 384.553 3.675 20 30 GHEDLO C[N@H+]1CCCC[C@@H]1c1nnc(N2CCC[C@@H](CC#N)C2)n1Cc1cccs1 ZINC001343637409 1053941197 /nfs/dbraw/zinc/94/11/97/1053941197.db2.gz VZOCRXJULLJLNF-FUHWJXTLSA-N 1 2 384.553 3.675 20 30 GHEDLO C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCC[N@H+]2C)n1C[C@@H]1CCOC1 ZINC001345330968 1054991552 /nfs/dbraw/zinc/99/15/52/1054991552.db2.gz LCFIGLDJWXDHRR-SFTDATJTSA-N 1 2 395.551 3.664 20 30 GHEDLO C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCC[N@@H+]2C)n1C[C@@H]1CCOC1 ZINC001345330968 1054991554 /nfs/dbraw/zinc/99/15/54/1054991554.db2.gz LCFIGLDJWXDHRR-SFTDATJTSA-N 1 2 395.551 3.664 20 30 GHEDLO N#CCn1c(=O)c2ccccc2nc1C[N@@H+]1C[C@@H]2CCCC[C@]21c1ccccc1 ZINC001319375174 1055211892 /nfs/dbraw/zinc/21/18/92/1055211892.db2.gz QVVQGMFLJGOSTE-CYFREDJKSA-N 1 2 384.483 3.821 20 30 GHEDLO N#CCn1c(=O)c2ccccc2nc1C[N@H+]1C[C@@H]2CCCC[C@]21c1ccccc1 ZINC001319375174 1055211898 /nfs/dbraw/zinc/21/18/98/1055211898.db2.gz QVVQGMFLJGOSTE-CYFREDJKSA-N 1 2 384.483 3.821 20 30 GHEDLO C#CCOCC[N@@H+](C)Cc1csc(-c2cc(Br)ccc2OC)n1 ZINC001319554663 1055320313 /nfs/dbraw/zinc/32/03/13/1055320313.db2.gz XNPZCQWUIMSUAP-UHFFFAOYSA-N 1 2 395.322 3.663 20 30 GHEDLO C#CCOCC[N@H+](C)Cc1csc(-c2cc(Br)ccc2OC)n1 ZINC001319554663 1055320332 /nfs/dbraw/zinc/32/03/32/1055320332.db2.gz XNPZCQWUIMSUAP-UHFFFAOYSA-N 1 2 395.322 3.663 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)CC)n2C[C@H](C)c2ccc(C)cc2)CC1 ZINC001300682183 1056858307 /nfs/dbraw/zinc/85/83/07/1056858307.db2.gz HZTOQXAGPGQFAJ-UXHICEINSA-N 1 2 379.552 3.659 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2CC2(CCC)CC2)CC1 ZINC001300693557 1056894655 /nfs/dbraw/zinc/89/46/55/1056894655.db2.gz ZYVIRJXCXCULEW-UHFFFAOYSA-N 1 2 397.954 3.934 20 30 GHEDLO C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CCC[C@@H]1c1cc(C)ccc1C ZINC001356152436 1057410178 /nfs/dbraw/zinc/41/01/78/1057410178.db2.gz DNBIBFNOCAQLHJ-LJQANCHMSA-N 1 2 376.508 3.747 20 30 GHEDLO CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001356332507 1057478989 /nfs/dbraw/zinc/47/89/89/1057478989.db2.gz XVFMOFAWRMUALU-UHFFFAOYSA-N 1 2 391.387 3.692 20 30 GHEDLO CCn1c([C@H](C)CCC#N)nnc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001339597938 1059334512 /nfs/dbraw/zinc/33/45/12/1059334512.db2.gz XRKSRXOMILCGBP-MRXNPFEDSA-N 1 2 386.931 3.681 20 30 GHEDLO C=CC[C@H]1N(C(=O)C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)CCCC1(C)C ZINC001448665695 1060238278 /nfs/dbraw/zinc/23/82/78/1060238278.db2.gz BLWMCGQZPWVCPO-OAQYLSRUSA-N 1 2 386.536 3.655 20 30 GHEDLO C=CC[C@H]1N(C(=O)C[N@H+]2CCc3cc(OC)c(OC)cc3C2)CCCC1(C)C ZINC001448665695 1060238292 /nfs/dbraw/zinc/23/82/92/1060238292.db2.gz BLWMCGQZPWVCPO-OAQYLSRUSA-N 1 2 386.536 3.655 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCO[C@H](c2ccccc2)C1 ZINC001342226386 1061154147 /nfs/dbraw/zinc/15/41/47/1061154147.db2.gz WRMKUFMYZAMFRL-PMACEKPBSA-N 1 2 381.524 3.589 20 30 GHEDLO C=C(C)Cn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCO[C@H](c2ccccc2)C1 ZINC001342226386 1061154155 /nfs/dbraw/zinc/15/41/55/1061154155.db2.gz WRMKUFMYZAMFRL-PMACEKPBSA-N 1 2 381.524 3.589 20 30 GHEDLO C=CCn1c([C@H]2CCC[N@@H+]2Cc2ccccc2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001342225758 1061154253 /nfs/dbraw/zinc/15/42/53/1061154253.db2.gz KZLJXZMINZODFB-NFBKMPQASA-N 1 2 390.535 3.931 20 30 GHEDLO C=CCn1c([C@H]2CCC[N@H+]2Cc2ccccc2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001342225758 1061154257 /nfs/dbraw/zinc/15/42/57/1061154257.db2.gz KZLJXZMINZODFB-NFBKMPQASA-N 1 2 390.535 3.931 20 30 GHEDLO CC(C)Cn1c(C2CC[NH+](CCC#N)CC2)nnc1N(CC(F)F)C1CCC1 ZINC001347645381 1062548401 /nfs/dbraw/zinc/54/84/01/1062548401.db2.gz OUIQSWVVZODQKW-UHFFFAOYSA-N 1 2 394.514 3.651 20 30 GHEDLO Cc1occc1CN(C)c1nnc(C2CC[NH+](CCC#N)CC2)n1CC(C)C ZINC001347646257 1062548475 /nfs/dbraw/zinc/54/84/75/1062548475.db2.gz VVBJNHRDLRBTRL-UHFFFAOYSA-N 1 2 384.528 3.565 20 30 GHEDLO CN(C)c1ccc([NH+]2CCC(NC(=O)[C@H](CC#N)c3ccccc3)CC2)cc1 ZINC001456924476 1062920386 /nfs/dbraw/zinc/92/03/86/1062920386.db2.gz RTKWVNSRWVWOJQ-JOCHJYFZSA-N 1 2 376.504 3.535 20 30 GHEDLO CN(CCc1cccs1)c1nnc(C2CC[NH+](CCC#N)CC2)n1CC1CC1 ZINC001349147544 1063570599 /nfs/dbraw/zinc/57/05/99/1063570599.db2.gz NZTITJHTULBBAQ-UHFFFAOYSA-N 1 2 398.580 3.522 20 30 GHEDLO C[N@H+](CC(F)F)C1CCN(c2ccc(C#N)c(Br)c2F)CC1 ZINC001458210400 1063660517 /nfs/dbraw/zinc/66/05/17/1063660517.db2.gz FPMQYAZUCIWBGG-UHFFFAOYSA-N 1 2 376.220 3.626 20 30 GHEDLO C[N@@H+](CC(F)F)C1CCN(c2ccc(C#N)c(Br)c2F)CC1 ZINC001458210400 1063660528 /nfs/dbraw/zinc/66/05/28/1063660528.db2.gz FPMQYAZUCIWBGG-UHFFFAOYSA-N 1 2 376.220 3.626 20 30 GHEDLO Cc1cc2occ(CC(=O)N3CC[NH+](Cc4ccc(C#N)cc4)CC3)c2cc1C ZINC001463593617 1064487275 /nfs/dbraw/zinc/48/72/75/1064487275.db2.gz HRVQMWLACXBGRG-UHFFFAOYSA-N 1 2 387.483 3.808 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC(OC2CCCCC2)CC1 ZINC001351615248 1064533919 /nfs/dbraw/zinc/53/39/19/1064533919.db2.gz HONBOSOJCNXXTD-FQEVSTJZSA-N 1 2 387.572 3.939 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC(OC2CCCCC2)CC1 ZINC001351615248 1064533935 /nfs/dbraw/zinc/53/39/35/1064533935.db2.gz HONBOSOJCNXXTD-FQEVSTJZSA-N 1 2 387.572 3.939 20 30 GHEDLO C=CCN(Cc1ccccc1F)C(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001464390578 1064983517 /nfs/dbraw/zinc/98/35/17/1064983517.db2.gz DTJUTCCOJFPVLV-SFHVURJKSA-N 1 2 399.485 3.690 20 30 GHEDLO CCOc1ccc(N(CCC#N)C(=O)c2cc(-n3cc[nH+]c3)ccc2O)cc1 ZINC001464810401 1065224234 /nfs/dbraw/zinc/22/42/34/1065224234.db2.gz VGMJBNZBAUZESI-UHFFFAOYSA-N 1 2 376.416 3.537 20 30 GHEDLO C#CCN(C)c1nnc(-c2ccccc2C)n1Cc1ccc(N(CC)CC)[nH+]c1 ZINC001358944755 1067625231 /nfs/dbraw/zinc/62/52/31/1067625231.db2.gz GINOXYFIWOJBOW-UHFFFAOYSA-N 1 2 388.519 3.612 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(-c3ccccc3F)n2CC(C)(C)C(C)C)CC1 ZINC001359033492 1067659500 /nfs/dbraw/zinc/65/95/00/1067659500.db2.gz DODBJKXGWKIAPL-UHFFFAOYSA-N 1 2 383.515 3.522 20 30 GHEDLO C=C[C@](C)(O)CC(=O)N1CC[N@@H+](Cc2ccc(Cl)cc2)C[C@@H]1CC(C)C ZINC001468462798 1067739865 /nfs/dbraw/zinc/73/98/65/1067739865.db2.gz RXMSJLCWTANXIP-FPOVZHCZSA-N 1 2 378.944 3.726 20 30 GHEDLO C=C[C@](C)(O)CC(=O)N1CC[N@H+](Cc2ccc(Cl)cc2)C[C@@H]1CC(C)C ZINC001468462798 1067739867 /nfs/dbraw/zinc/73/98/67/1067739867.db2.gz RXMSJLCWTANXIP-FPOVZHCZSA-N 1 2 378.944 3.726 20 30 GHEDLO CC(C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCc1cn2ccccc2[nH+]1 ZINC001359973278 1068286949 /nfs/dbraw/zinc/28/69/49/1068286949.db2.gz MXUZLQDOGIOBQX-UHFFFAOYSA-N 1 2 399.502 3.799 20 30 GHEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001460197054 1068854152 /nfs/dbraw/zinc/85/41/52/1068854152.db2.gz NTOBINCOCPFZKH-LEWJYISDSA-N 1 2 398.528 3.510 20 30 GHEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001460197054 1068854173 /nfs/dbraw/zinc/85/41/73/1068854173.db2.gz NTOBINCOCPFZKH-LEWJYISDSA-N 1 2 398.528 3.510 20 30 GHEDLO C[C@@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC001460549252 1068993106 /nfs/dbraw/zinc/99/31/06/1068993106.db2.gz VKDCPKFKGWEZTF-AWEZNQCLSA-N 1 2 384.430 3.740 20 30 GHEDLO C#CC[N@@H+](Cc1ccc(C)nc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001460777805 1069171629 /nfs/dbraw/zinc/17/16/29/1069171629.db2.gz KBLQSHOTFBPNQZ-UHFFFAOYSA-N 1 2 377.916 3.878 20 30 GHEDLO C#CC[N@H+](Cc1ccc(C)nc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001460777805 1069171634 /nfs/dbraw/zinc/17/16/34/1069171634.db2.gz KBLQSHOTFBPNQZ-UHFFFAOYSA-N 1 2 377.916 3.878 20 30 GHEDLO COc1nscc1C[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001460874219 1069243504 /nfs/dbraw/zinc/24/35/04/1069243504.db2.gz DSHFNRQNKCVNHJ-HTQZYQBOSA-N 1 2 396.303 3.755 20 30 GHEDLO C#C[C@@H](NC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)c1ccc(F)cc1 ZINC001478893551 1079017217 /nfs/dbraw/zinc/01/72/17/1079017217.db2.gz ISTXVLJBTRSBFS-NOUOYNBVSA-N 1 2 377.463 3.541 20 30 GHEDLO C#C[C@H](NC(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1)c1ccccc1 ZINC001478897124 1079019620 /nfs/dbraw/zinc/01/96/20/1079019620.db2.gz VIFDIAFGCYCEDU-QFIPXVFZSA-N 1 2 384.483 3.762 20 30 GHEDLO C=CC[C@H](C(=O)OC)[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC001473152555 1073810889 /nfs/dbraw/zinc/81/08/89/1073810889.db2.gz BNIUBOWLWDEGMY-HXUWFJFHSA-N 1 2 379.460 3.806 20 30 GHEDLO C=CC[C@H](C(=O)OC)[N@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC001473152555 1073810896 /nfs/dbraw/zinc/81/08/96/1073810896.db2.gz BNIUBOWLWDEGMY-HXUWFJFHSA-N 1 2 379.460 3.806 20 30 GHEDLO N#Cc1ccccc1OCC[N@H+]1CCc2c(F)ccc(Br)c2C1 ZINC001473512875 1073995708 /nfs/dbraw/zinc/99/57/08/1073995708.db2.gz FZKGQFRWOMQSKX-UHFFFAOYSA-N 1 2 375.241 3.897 20 30 GHEDLO N#Cc1ccccc1OCC[N@@H+]1CCc2c(F)ccc(Br)c2C1 ZINC001473512875 1073995709 /nfs/dbraw/zinc/99/57/09/1073995709.db2.gz FZKGQFRWOMQSKX-UHFFFAOYSA-N 1 2 375.241 3.897 20 30 GHEDLO C=CCCCS(=O)(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC001474841830 1074588259 /nfs/dbraw/zinc/58/82/59/1074588259.db2.gz HIYHPKSNTDUKAW-LJQANCHMSA-N 1 2 390.574 3.733 20 30 GHEDLO C=CCCCS(=O)(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC001474841830 1074588263 /nfs/dbraw/zinc/58/82/63/1074588263.db2.gz HIYHPKSNTDUKAW-LJQANCHMSA-N 1 2 390.574 3.733 20 30 GHEDLO C=CCc1cc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc(OC)c1OC ZINC000030655822 212108861 /nfs/dbraw/zinc/10/88/61/212108861.db2.gz WDAWKMPKEJWTAU-UHFFFAOYSA-N 1 2 391.471 3.607 20 30 GHEDLO Cc1cccn2c(/C=C3/COC/C(=C\c4c[nH+]c5c(C)cccn45)C3=O)cnc12 ZINC000177927310 837406626 /nfs/dbraw/zinc/40/66/26/837406626.db2.gz KHFCMXPGWCJVJB-BUOZRGFLSA-N 1 2 384.439 3.665 20 30 GHEDLO Cc1cccn2c(/C=C3\COC/C(=C/c4c[nH+]c5c(C)cccn45)C3=O)cnc12 ZINC000177927310 837406637 /nfs/dbraw/zinc/40/66/37/837406637.db2.gz KHFCMXPGWCJVJB-BUOZRGFLSA-N 1 2 384.439 3.665 20 30 GHEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(-c2ccc(Br)cc2)cc1 ZINC000414107116 837576420 /nfs/dbraw/zinc/57/64/20/837576420.db2.gz JODYIWOHKNKSLQ-SFHVURJKSA-N 1 2 389.293 3.701 20 30 GHEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(-c2ccc(Br)cc2)cc1 ZINC000414107116 837576427 /nfs/dbraw/zinc/57/64/27/837576427.db2.gz JODYIWOHKNKSLQ-SFHVURJKSA-N 1 2 389.293 3.701 20 30 GHEDLO CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000329168616 834501634 /nfs/dbraw/zinc/50/16/34/834501634.db2.gz JEGSPSPUGDFODT-ZFWWWQNUSA-N 1 2 396.582 3.665 20 30 GHEDLO C=CC[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000658434212 835676612 /nfs/dbraw/zinc/67/66/12/835676612.db2.gz KQJHTECWZNVBBB-QGZVFWFLSA-N 1 2 392.503 3.640 20 30 GHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc(C#N)cc(N(C)C)c3)n2)C1 ZINC000432882066 844113609 /nfs/dbraw/zinc/11/36/09/844113609.db2.gz VVDSKSQGBMPWOB-AWEZNQCLSA-N 1 2 383.521 3.565 20 30 GHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc(C#N)cc(N(C)C)c3)n2)C1 ZINC000432882066 844113612 /nfs/dbraw/zinc/11/36/12/844113612.db2.gz VVDSKSQGBMPWOB-AWEZNQCLSA-N 1 2 383.521 3.565 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H](CC(=O)OC(C)C)C2)c1C#N ZINC000613384176 836261891 /nfs/dbraw/zinc/26/18/91/836261891.db2.gz ASUNHYDTYPOZSG-GOSISDBHSA-N 1 2 380.492 3.606 20 30 GHEDLO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H](CC(=O)OC(C)C)C2)c1C#N ZINC000613384176 836261902 /nfs/dbraw/zinc/26/19/02/836261902.db2.gz ASUNHYDTYPOZSG-GOSISDBHSA-N 1 2 380.492 3.606 20 30 GHEDLO N#Cc1ccccc1COc1cccc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000120759207 836281241 /nfs/dbraw/zinc/28/12/41/836281241.db2.gz ZYCKAZFRRSWNSZ-QHCPKHFHSA-N 1 2 399.450 3.826 20 30 GHEDLO OC[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1cc(OC(F)(F)F)ccc1F ZINC001143538173 844159197 /nfs/dbraw/zinc/15/91/97/844159197.db2.gz JGZGMIIFASRYEG-DGCLKSJQSA-N 1 2 375.284 3.860 20 30 GHEDLO OC[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1cc(OC(F)(F)F)ccc1F ZINC001143538173 844159201 /nfs/dbraw/zinc/15/92/01/844159201.db2.gz JGZGMIIFASRYEG-DGCLKSJQSA-N 1 2 375.284 3.860 20 30 GHEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCc2c(Cl)cccc2C1 ZINC000133830860 836855565 /nfs/dbraw/zinc/85/55/65/836855565.db2.gz PWOODDSFSCSWSN-KRWDZBQOSA-N 1 2 388.858 3.935 20 30 GHEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000133830860 836855570 /nfs/dbraw/zinc/85/55/70/836855570.db2.gz PWOODDSFSCSWSN-KRWDZBQOSA-N 1 2 388.858 3.935 20 30 GHEDLO Cn1cc(C[N@@H+]2CCO[C@H](c3ccccc3F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180060068 836980178 /nfs/dbraw/zinc/98/01/78/836980178.db2.gz LVNAMGSDKNFLDM-NRFANRHFSA-N 1 2 376.435 3.671 20 30 GHEDLO Cn1cc(C[N@H+]2CCO[C@H](c3ccccc3F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180060068 836980186 /nfs/dbraw/zinc/98/01/86/836980186.db2.gz LVNAMGSDKNFLDM-NRFANRHFSA-N 1 2 376.435 3.671 20 30 GHEDLO C=C(C)CN(Cc1ccccc1)C(=O)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000473362474 844247648 /nfs/dbraw/zinc/24/76/48/844247648.db2.gz PCDZGNQKIMDTQO-UHFFFAOYSA-N 1 2 394.515 3.667 20 30 GHEDLO C=C(C)CN(Cc1ccccc1)C(=O)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000473362474 844247659 /nfs/dbraw/zinc/24/76/59/844247659.db2.gz PCDZGNQKIMDTQO-UHFFFAOYSA-N 1 2 394.515 3.667 20 30 GHEDLO N#Cc1c(NC(=O)C[NH+]2CCC([C@@H]3CCCO3)CC2)sc2c1CCCCC2 ZINC000189176545 838219283 /nfs/dbraw/zinc/21/92/83/838219283.db2.gz NACOUEYOJOVFLC-SFHVURJKSA-N 1 2 387.549 3.718 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c1c(F)cccc1F ZINC000610341029 838563779 /nfs/dbraw/zinc/56/37/79/838563779.db2.gz NCANVEQMFPPQLH-CABCVRRESA-N 1 2 387.430 3.959 20 30 GHEDLO Cn1cc[nH+]c1C[C@@H](NC(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccccc1 ZINC000610366826 838717471 /nfs/dbraw/zinc/71/74/71/838717471.db2.gz FPBYMTWUUXRGPB-GOSISDBHSA-N 1 2 390.491 3.954 20 30 GHEDLO Cc1cc(C#N)ccc1C[NH+]1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000614396005 844411334 /nfs/dbraw/zinc/41/13/34/844411334.db2.gz NIRLDBCNYAGXPR-UHFFFAOYSA-N 1 2 387.405 3.844 20 30 GHEDLO FC(F)(F)Oc1ccc(C#CCNc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000433509390 844513447 /nfs/dbraw/zinc/51/34/47/844513447.db2.gz MQUHZOLXLJYTBT-UHFFFAOYSA-N 1 2 390.405 3.881 20 30 GHEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000584847409 841061778 /nfs/dbraw/zinc/06/17/78/841061778.db2.gz NEBFBIBUVFMOMO-RDJZCZTQSA-N 1 2 394.475 3.556 20 30 GHEDLO C[C@@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1nnc2n1CCCCC2 ZINC000660263376 841132666 /nfs/dbraw/zinc/13/26/66/841132666.db2.gz XPNRRBAVLXIFLA-CQSZACIVSA-N 1 2 378.398 3.605 20 30 GHEDLO C=CC[N@H+](CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)[C@@H](C)COC ZINC000661246642 841570278 /nfs/dbraw/zinc/57/02/78/841570278.db2.gz JMAYQLOCEMDVDR-DOTOQJQBSA-N 1 2 387.505 3.542 20 30 GHEDLO C=CC[N@@H+](CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)[C@@H](C)COC ZINC000661246642 841570288 /nfs/dbraw/zinc/57/02/88/841570288.db2.gz JMAYQLOCEMDVDR-DOTOQJQBSA-N 1 2 387.505 3.542 20 30 GHEDLO C[C@H](c1nc2ccccc2s1)N1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000603838565 861228736 /nfs/dbraw/zinc/22/87/36/861228736.db2.gz RWUNILAZWHDVBZ-QGZVFWFLSA-N 1 2 392.528 3.926 20 30 GHEDLO N#Cc1ccccc1COc1ccc(C(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000178066160 841709039 /nfs/dbraw/zinc/70/90/39/841709039.db2.gz QZISRTMHLRNLKO-UHFFFAOYSA-N 1 2 382.423 3.715 20 30 GHEDLO CC(C)(C)OC(=O)Nc1ccsc1C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000891580466 842364315 /nfs/dbraw/zinc/36/43/15/842364315.db2.gz JAUGEBWRMJXULH-UHFFFAOYSA-N 1 2 399.520 3.684 20 30 GHEDLO C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(c2ccc(C#N)cc2CO)CC1 ZINC000891586927 842368546 /nfs/dbraw/zinc/36/85/46/842368546.db2.gz LJQYJCSBYRJJHQ-HNNXBMFYSA-N 1 2 378.501 3.543 20 30 GHEDLO O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000328836520 842405612 /nfs/dbraw/zinc/40/56/12/842405612.db2.gz MWUHEDVPGKOYAO-DQYWGJDHSA-N 1 2 384.524 3.679 20 30 GHEDLO CCOC(=O)Nc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1C#N ZINC000161054400 842466010 /nfs/dbraw/zinc/46/60/10/842466010.db2.gz NDUBKQHNVYNPPD-UHFFFAOYSA-N 1 2 375.388 3.565 20 30 GHEDLO C#CCOc1cccc(NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000279081539 842562408 /nfs/dbraw/zinc/56/24/08/842562408.db2.gz MSJMLNZBGZEGPX-UHFFFAOYSA-N 1 2 378.476 3.643 20 30 GHEDLO C=CCNc1ncc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000245912208 842623468 /nfs/dbraw/zinc/62/34/68/842623468.db2.gz RLJOCPVQRPQJFI-GDBMZVCRSA-N 1 2 376.913 3.570 20 30 GHEDLO C=CCNc1ncc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000245912208 842623472 /nfs/dbraw/zinc/62/34/72/842623472.db2.gz RLJOCPVQRPQJFI-GDBMZVCRSA-N 1 2 376.913 3.570 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000512182390 842805272 /nfs/dbraw/zinc/80/52/72/842805272.db2.gz RRXRVSNFCMHQQZ-ROUUACIJSA-N 1 2 382.504 3.906 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000512182390 842805281 /nfs/dbraw/zinc/80/52/81/842805281.db2.gz RRXRVSNFCMHQQZ-ROUUACIJSA-N 1 2 382.504 3.906 20 30 GHEDLO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1cccc2ncccc21 ZINC000512187541 842837612 /nfs/dbraw/zinc/83/76/12/842837612.db2.gz QYWHWEMQPWBDAF-INIZCTEOSA-N 1 2 379.460 3.725 20 30 GHEDLO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)C(=O)Nc1cccc2ncccc21 ZINC000512187541 842837623 /nfs/dbraw/zinc/83/76/23/842837623.db2.gz QYWHWEMQPWBDAF-INIZCTEOSA-N 1 2 379.460 3.725 20 30 GHEDLO C#CCOc1ccc(C[N@@H+]2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)cc1 ZINC000276786549 843218734 /nfs/dbraw/zinc/21/87/34/843218734.db2.gz DXRHVAGVFMOMLD-HXUWFJFHSA-N 1 2 381.476 3.703 20 30 GHEDLO C#CCOc1ccc(C[N@H+]2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)cc1 ZINC000276786549 843218740 /nfs/dbraw/zinc/21/87/40/843218740.db2.gz DXRHVAGVFMOMLD-HXUWFJFHSA-N 1 2 381.476 3.703 20 30 GHEDLO C#CCOc1ccc(C[N@@H+]2CCCC[C@H]2c2nnc(C3CCOCC3)o2)cc1 ZINC000276786545 843218927 /nfs/dbraw/zinc/21/89/27/843218927.db2.gz DXRHVAGVFMOMLD-FQEVSTJZSA-N 1 2 381.476 3.703 20 30 GHEDLO C#CCOc1ccc(C[N@H+]2CCCC[C@H]2c2nnc(C3CCOCC3)o2)cc1 ZINC000276786545 843218934 /nfs/dbraw/zinc/21/89/34/843218934.db2.gz DXRHVAGVFMOMLD-FQEVSTJZSA-N 1 2 381.476 3.703 20 30 GHEDLO Cc1cccn2cc(CCNC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)[nH+]c12 ZINC000610597708 843250460 /nfs/dbraw/zinc/25/04/60/843250460.db2.gz YSVALAHOJJQJOG-NHCUHLMSSA-N 1 2 387.487 3.667 20 30 GHEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 ZINC000067401499 843389177 /nfs/dbraw/zinc/38/91/77/843389177.db2.gz ICWBKAYFSKTULL-OAHLLOKOSA-N 1 2 396.466 3.519 20 30 GHEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 ZINC000067401499 843389183 /nfs/dbraw/zinc/38/91/83/843389183.db2.gz ICWBKAYFSKTULL-OAHLLOKOSA-N 1 2 396.466 3.519 20 30 GHEDLO O=[N+]([O-])c1cccc(F)c1CO[NH+]=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000728910201 843405947 /nfs/dbraw/zinc/40/59/47/843405947.db2.gz IPQKFPGPVUKISZ-UHFFFAOYSA-N 1 2 388.355 3.793 20 30 GHEDLO C=CC[N@H+](CC(=O)NCc1cc(Cl)ccc1OC)Cc1ccc(OC)cc1 ZINC000510853864 843623315 /nfs/dbraw/zinc/62/33/15/843623315.db2.gz VOHSZDQYKAUTEG-UHFFFAOYSA-N 1 2 388.895 3.662 20 30 GHEDLO C=CC[N@@H+](CC(=O)NCc1cc(Cl)ccc1OC)Cc1ccc(OC)cc1 ZINC000510853864 843623320 /nfs/dbraw/zinc/62/33/20/843623320.db2.gz VOHSZDQYKAUTEG-UHFFFAOYSA-N 1 2 388.895 3.662 20 30 GHEDLO CC[C@@H]1Cc2ccccc2C[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000185788385 861487174 /nfs/dbraw/zinc/48/71/74/861487174.db2.gz JYUOLUSWPLFYKD-HXUWFJFHSA-N 1 2 385.471 3.519 20 30 GHEDLO CC[C@@H]1Cc2ccccc2C[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000185788385 861487181 /nfs/dbraw/zinc/48/71/81/861487181.db2.gz JYUOLUSWPLFYKD-HXUWFJFHSA-N 1 2 385.471 3.519 20 30 GHEDLO Clc1cccc(C#CC[NH+]2CCN(c3ccc(Br)cn3)CC2)c1 ZINC001167936514 844774359 /nfs/dbraw/zinc/77/43/59/844774359.db2.gz IITCTKZSRVJOOQ-UHFFFAOYSA-N 1 2 390.712 3.671 20 30 GHEDLO Cn1cc[nH+]c1C[C@H](NC(=O)NC1(c2cccc(C#N)c2)CC1)c1ccccc1 ZINC000610985930 844996697 /nfs/dbraw/zinc/99/66/97/844996697.db2.gz VVHKMXYLPKERIN-FQEVSTJZSA-N 1 2 385.471 3.564 20 30 GHEDLO CC(C)[C@H](NC(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1)c1ccc(F)cc1 ZINC000599686288 861526825 /nfs/dbraw/zinc/52/68/25/861526825.db2.gz OZGJUSLGVDFPMF-QHCPKHFHSA-N 1 2 379.479 3.763 20 30 GHEDLO CC(C)[C@H](NC(=O)C[N@H+]1CCc2c(CC#N)cccc2C1)c1ccc(F)cc1 ZINC000599686288 861526837 /nfs/dbraw/zinc/52/68/37/861526837.db2.gz OZGJUSLGVDFPMF-QHCPKHFHSA-N 1 2 379.479 3.763 20 30 GHEDLO C=CCSc1ccccc1NC(=O)C[NH+]1[C@H](C)CC(C(=O)OC)C[C@H]1C ZINC000599705897 861560665 /nfs/dbraw/zinc/56/06/65/861560665.db2.gz JHUOGSLRZLEBIA-HUUCEWRRSA-N 1 2 376.522 3.565 20 30 GHEDLO CC[N@H+](CC(=O)N(CCOC)Cc1ccc(C#N)cc1)Cc1ccccc1Cl ZINC000481520393 861590455 /nfs/dbraw/zinc/59/04/55/861590455.db2.gz VXPBWIRIMXZFMW-UHFFFAOYSA-N 1 2 399.922 3.709 20 30 GHEDLO CC[N@@H+](CC(=O)N(CCOC)Cc1ccc(C#N)cc1)Cc1ccccc1Cl ZINC000481520393 861590461 /nfs/dbraw/zinc/59/04/61/861590461.db2.gz VXPBWIRIMXZFMW-UHFFFAOYSA-N 1 2 399.922 3.709 20 30 GHEDLO Cn1cc(C[N@H+](C)Cc2nc(-c3cccs3)no2)c(-c2ccc(C#N)cc2)n1 ZINC000375659480 846034331 /nfs/dbraw/zinc/03/43/31/846034331.db2.gz HPOVYIQDHJMZDF-UHFFFAOYSA-N 1 2 390.472 3.702 20 30 GHEDLO Cn1cc(C[N@@H+](C)Cc2nc(-c3cccs3)no2)c(-c2ccc(C#N)cc2)n1 ZINC000375659480 846034334 /nfs/dbraw/zinc/03/43/34/846034334.db2.gz HPOVYIQDHJMZDF-UHFFFAOYSA-N 1 2 390.472 3.702 20 30 GHEDLO CC(C)(C)c1cccc(OCC[N@@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000513665405 846232302 /nfs/dbraw/zinc/23/23/02/846232302.db2.gz DNQSICWXESPKKN-HOYKHHGWSA-N 1 2 389.499 3.708 20 30 GHEDLO CC(C)(C)c1cccc(OCC[N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000513665405 846232308 /nfs/dbraw/zinc/23/23/08/846232308.db2.gz DNQSICWXESPKKN-HOYKHHGWSA-N 1 2 389.499 3.708 20 30 GHEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)n2)C1 ZINC000280474776 846414159 /nfs/dbraw/zinc/41/41/59/846414159.db2.gz FWPIIVBPGIGXQM-MAUKXSAKSA-N 1 2 393.516 3.568 20 30 GHEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)n2)C1 ZINC000280474776 846414166 /nfs/dbraw/zinc/41/41/66/846414166.db2.gz FWPIIVBPGIGXQM-MAUKXSAKSA-N 1 2 393.516 3.568 20 30 GHEDLO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000419621165 846689872 /nfs/dbraw/zinc/68/98/72/846689872.db2.gz RJEDJKIAEAVMNY-FQEVSTJZSA-N 1 2 379.508 3.816 20 30 GHEDLO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CCOCC2(CCC2)C1 ZINC000329597212 861733801 /nfs/dbraw/zinc/73/38/01/861733801.db2.gz CLJWPWFJSAUPBV-UHFFFAOYSA-N 1 2 380.492 3.934 20 30 GHEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3cccc(C#N)c3C)CC2)c1 ZINC000178566290 846986914 /nfs/dbraw/zinc/98/69/14/846986914.db2.gz MMHCBLIFRBOGRK-QGZVFWFLSA-N 1 2 378.476 3.786 20 30 GHEDLO C=CCSCC[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000231933395 847064902 /nfs/dbraw/zinc/06/49/02/847064902.db2.gz JHSAFWBMDVWYGQ-UHFFFAOYSA-N 1 2 381.133 3.926 20 30 GHEDLO CC(C)c1nnc(CNC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)s1 ZINC000329620321 861805123 /nfs/dbraw/zinc/80/51/23/861805123.db2.gz MOUAWMUFTILOTM-CYBMUJFWSA-N 1 2 379.555 3.516 20 30 GHEDLO C=CC[N@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)Cc1cccs1 ZINC000051824505 847943107 /nfs/dbraw/zinc/94/31/07/847943107.db2.gz LBZYDGNOQRQNPK-UHFFFAOYSA-N 1 2 384.545 3.601 20 30 GHEDLO C=CC[N@@H+](CC(=O)NCC1(c2ccccc2)CCOCC1)Cc1cccs1 ZINC000051824505 847943117 /nfs/dbraw/zinc/94/31/17/847943117.db2.gz LBZYDGNOQRQNPK-UHFFFAOYSA-N 1 2 384.545 3.601 20 30 GHEDLO CCO[C@H]1C[C@H](N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])C1(CC)CC ZINC000178715522 848738096 /nfs/dbraw/zinc/73/80/96/848738096.db2.gz SNKOJFZVPKLMAL-OALUTQOASA-N 1 2 396.535 3.630 20 30 GHEDLO COc1ccc(C[C@@H]2CC[N@@H+]2[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC001167641480 848761110 /nfs/dbraw/zinc/76/11/10/848761110.db2.gz IBWCMBOXXAQGNN-HOCLYGCPSA-N 1 2 395.528 3.761 20 30 GHEDLO COc1ccc(C[C@@H]2CC[N@H+]2[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC001167641480 848761114 /nfs/dbraw/zinc/76/11/14/848761114.db2.gz IBWCMBOXXAQGNN-HOCLYGCPSA-N 1 2 395.528 3.761 20 30 GHEDLO COc1ccc(OC)c(C[N@H+](CC(=O)Nc2sccc2C#N)C(C)(C)C)c1 ZINC000132248491 861983508 /nfs/dbraw/zinc/98/35/08/861983508.db2.gz AHJAZUQTMLLXSZ-UHFFFAOYSA-N 1 2 387.505 3.876 20 30 GHEDLO COc1ccc(OC)c(C[N@@H+](CC(=O)Nc2sccc2C#N)C(C)(C)C)c1 ZINC000132248491 861983513 /nfs/dbraw/zinc/98/35/13/861983513.db2.gz AHJAZUQTMLLXSZ-UHFFFAOYSA-N 1 2 387.505 3.876 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429160404 862087093 /nfs/dbraw/zinc/08/70/93/862087093.db2.gz GYHHFEMATHWUDZ-ROUUACIJSA-N 1 2 393.487 3.613 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000429160404 862087102 /nfs/dbraw/zinc/08/71/02/862087102.db2.gz GYHHFEMATHWUDZ-ROUUACIJSA-N 1 2 393.487 3.613 20 30 GHEDLO CC(C)CCOc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000017843228 850299566 /nfs/dbraw/zinc/29/95/66/850299566.db2.gz VIJJVKBGTPQDLN-UHFFFAOYSA-N 1 2 391.515 3.941 20 30 GHEDLO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCO[C@@](C)(C#N)C2)n1 ZINC000896859557 862213986 /nfs/dbraw/zinc/21/39/86/862213986.db2.gz VJPBOXVHIQMYJT-NRFANRHFSA-N 1 2 393.516 3.539 20 30 GHEDLO C=CCOc1ccccc1CNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000111463743 851668749 /nfs/dbraw/zinc/66/87/49/851668749.db2.gz LMXKDFIAHRCYKF-UHFFFAOYSA-N 1 2 390.487 3.538 20 30 GHEDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H]2CCCN(C3CCCCC3)C2=O)c1 ZINC000329829101 862352765 /nfs/dbraw/zinc/35/27/65/862352765.db2.gz JPYHOYYFXQVERY-LJQANCHMSA-N 1 2 380.492 3.809 20 30 GHEDLO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)s2)[C@@H]1c1ccc(F)c(F)c1 ZINC000490255076 852872351 /nfs/dbraw/zinc/87/23/51/852872351.db2.gz XVSPJGCUECJABS-AEFFLSMTSA-N 1 2 375.444 3.852 20 30 GHEDLO CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)s2)[C@@H]1c1ccc(F)c(F)c1 ZINC000490255076 852872357 /nfs/dbraw/zinc/87/23/57/852872357.db2.gz XVSPJGCUECJABS-AEFFLSMTSA-N 1 2 375.444 3.852 20 30 GHEDLO C[C@H](CC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)NC(=O)C1CCCC1 ZINC000329900527 862408359 /nfs/dbraw/zinc/40/83/59/862408359.db2.gz NVAGKYKBACJTQN-MRXNPFEDSA-N 1 2 386.540 3.851 20 30 GHEDLO [O-]C(NC[C@H]1CCc2[nH+]ccn2C1)=[NH+]CC1(c2ccc(F)cc2F)CCCC1 ZINC000329903566 862410143 /nfs/dbraw/zinc/41/01/43/862410143.db2.gz QIDBETNXIAZIFV-OAHLLOKOSA-N 1 2 388.462 3.739 20 30 GHEDLO [O-]C(NCC1(c2ccc(F)cc2F)CCCC1)=[NH+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000329903566 862410147 /nfs/dbraw/zinc/41/01/47/862410147.db2.gz QIDBETNXIAZIFV-OAHLLOKOSA-N 1 2 388.462 3.739 20 30 GHEDLO NC(=[NH+]OCC(=O)Nc1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1 ZINC000029464254 853119963 /nfs/dbraw/zinc/11/99/63/853119963.db2.gz DFHOAABFDZAMRV-UHFFFAOYSA-N 1 2 393.418 3.680 20 30 GHEDLO C#C[C@@H]([NH2+]Cc1c(C)nc2sc(C)nn12)c1ccc(Br)cc1 ZINC000894872215 853288794 /nfs/dbraw/zinc/28/87/94/853288794.db2.gz ZVKFPNKFHFHGRY-CQSZACIVSA-N 1 2 375.295 3.634 20 30 GHEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)N[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000425848556 853392720 /nfs/dbraw/zinc/39/27/20/853392720.db2.gz QKESVLAZQZOHLF-VQTJNVASSA-N 1 2 395.507 3.576 20 30 GHEDLO NC(=O)N1CCC[C@H]1C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000329969050 862467683 /nfs/dbraw/zinc/46/76/83/862467683.db2.gz UHLUXOIQFGWTKP-GJZGRUSLSA-N 1 2 382.867 3.530 20 30 GHEDLO C=CCC[C@@H](NC(=O)N[C@@H](C)C[NH+]1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000440810040 853654514 /nfs/dbraw/zinc/65/45/14/853654514.db2.gz QALWAJWGTXBGOL-MAUKXSAKSA-N 1 2 399.457 3.733 20 30 GHEDLO C#Cc1cccc(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000156592875 853888765 /nfs/dbraw/zinc/88/87/65/853888765.db2.gz FQCZBZOQRMIKQG-VQTJNVASSA-N 1 2 383.879 3.515 20 30 GHEDLO C#Cc1cccc(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000156592875 853888772 /nfs/dbraw/zinc/88/87/72/853888772.db2.gz FQCZBZOQRMIKQG-VQTJNVASSA-N 1 2 383.879 3.515 20 30 GHEDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2coc(C3CCOCC3)n2)C[C@H](C)O1 ZINC000328786856 854557396 /nfs/dbraw/zinc/55/73/96/854557396.db2.gz JGSMNGGVHJUCFN-IYBDPMFKSA-N 1 2 399.491 3.814 20 30 GHEDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2coc(C3CCOCC3)n2)C[C@H](C)O1 ZINC000328786856 854557400 /nfs/dbraw/zinc/55/74/00/854557400.db2.gz JGSMNGGVHJUCFN-IYBDPMFKSA-N 1 2 399.491 3.814 20 30 GHEDLO C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCc3c[nH]nc32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000328848811 854575476 /nfs/dbraw/zinc/57/54/76/854575476.db2.gz RERAIGNDIUKBIR-SOLBZPMBSA-N 1 2 391.878 3.529 20 30 GHEDLO C[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCCc3c[nH]nc32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000328848811 854575481 /nfs/dbraw/zinc/57/54/81/854575481.db2.gz RERAIGNDIUKBIR-SOLBZPMBSA-N 1 2 391.878 3.529 20 30 GHEDLO CC(C)[N@@H+]1CC[C@H](NC(=O)c2cccc(C#N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000589482299 854902716 /nfs/dbraw/zinc/90/27/16/854902716.db2.gz QSGNWMHCKDMVJL-PKOBYXMFSA-N 1 2 386.858 3.700 20 30 GHEDLO CC(C)[N@H+]1CC[C@H](NC(=O)c2cccc(C#N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000589482299 854902720 /nfs/dbraw/zinc/90/27/20/854902720.db2.gz QSGNWMHCKDMVJL-PKOBYXMFSA-N 1 2 386.858 3.700 20 30 GHEDLO N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(Cn3cc[nH+]c3)cn2)o1 ZINC000553636190 855167879 /nfs/dbraw/zinc/16/78/79/855167879.db2.gz OMCBMQBKWUIFDR-UHFFFAOYSA-N 1 2 399.410 3.622 20 30 GHEDLO CSc1cccc(NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000507773586 855577426 /nfs/dbraw/zinc/57/74/26/855577426.db2.gz UWHHHBIXDOEPOH-UHFFFAOYSA-N 1 2 381.501 3.762 20 30 GHEDLO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000465687728 855589623 /nfs/dbraw/zinc/58/96/23/855589623.db2.gz HRWNOHIRGMPLCP-NHCUHLMSSA-N 1 2 389.503 3.532 20 30 GHEDLO N#Cc1c(Cl)nsc1N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000301092981 855618221 /nfs/dbraw/zinc/61/82/21/855618221.db2.gz QALGMCJWMPMTAV-UHFFFAOYSA-N 1 2 383.304 3.523 20 30 GHEDLO Cc1ccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1OCC1CCOCC1 ZINC000330261504 862703119 /nfs/dbraw/zinc/70/31/19/862703119.db2.gz UHRLBKLAWWZOIT-UHFFFAOYSA-N 1 2 398.507 3.949 20 30 GHEDLO N#Cc1ccc(N2CCC[C@H](Nc3cc(N4CCCCC4)nc[nH+]3)C2)c(F)c1 ZINC000301204978 855638730 /nfs/dbraw/zinc/63/87/30/855638730.db2.gz PFNYKMLBXRHLDA-KRWDZBQOSA-N 1 2 380.471 3.559 20 30 GHEDLO N#Cc1ccc(N2CCC[C@H](Nc3cc(N4CCCCC4)[nH+]cn3)C2)c(F)c1 ZINC000301204978 855638735 /nfs/dbraw/zinc/63/87/35/855638735.db2.gz PFNYKMLBXRHLDA-KRWDZBQOSA-N 1 2 380.471 3.559 20 30 GHEDLO N#Cc1cc(Br)ccc1NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000301284414 855654536 /nfs/dbraw/zinc/65/45/36/855654536.db2.gz LXMJDJQUCCQHLM-IBGZPJMESA-N 1 2 386.293 3.806 20 30 GHEDLO Cc1nc([C@@H]2CCCOC2)sc1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000330264865 862705446 /nfs/dbraw/zinc/70/54/46/862705446.db2.gz YKPOYCVLGIZZLR-OAHLLOKOSA-N 1 2 391.562 3.770 20 30 GHEDLO Cc1nc([C@@H]2CCCOC2)sc1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000330264865 862705459 /nfs/dbraw/zinc/70/54/59/862705459.db2.gz YKPOYCVLGIZZLR-OAHLLOKOSA-N 1 2 391.562 3.770 20 30 GHEDLO N#Cc1cc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)nc2ccc([N+](=O)[O-])cc12 ZINC000301381903 855683932 /nfs/dbraw/zinc/68/39/32/855683932.db2.gz UVLOXJSLEKDZPN-UHFFFAOYSA-N 1 2 388.362 3.952 20 30 GHEDLO CC(C)C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1ccc(C#N)cn1 ZINC000553970764 855716872 /nfs/dbraw/zinc/71/68/72/855716872.db2.gz DNVHKGYXANCCKR-HXUWFJFHSA-N 1 2 396.922 3.979 20 30 GHEDLO CC(C)C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1ccc(C#N)cn1 ZINC000553970764 855716880 /nfs/dbraw/zinc/71/68/80/855716880.db2.gz DNVHKGYXANCCKR-HXUWFJFHSA-N 1 2 396.922 3.979 20 30 GHEDLO C[N@@H+]1CCO[C@H]([C@H](Nc2ccc([N+](=O)[O-])cc2C#N)c2ccc(Cl)cc2)C1 ZINC000301903257 855779477 /nfs/dbraw/zinc/77/94/77/855779477.db2.gz XDKFWEDABHOINB-RBUKOAKNSA-N 1 2 386.839 3.604 20 30 GHEDLO C[N@H+]1CCO[C@H]([C@H](Nc2ccc([N+](=O)[O-])cc2C#N)c2ccc(Cl)cc2)C1 ZINC000301903257 855779488 /nfs/dbraw/zinc/77/94/88/855779488.db2.gz XDKFWEDABHOINB-RBUKOAKNSA-N 1 2 386.839 3.604 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)c(C#N)c1C ZINC000482152197 862746305 /nfs/dbraw/zinc/74/63/05/862746305.db2.gz QMNFEORVGZKEMW-LAUBAEHRSA-N 1 2 396.535 3.841 20 30 GHEDLO Cc1oc(NC(=O)[C@H](C)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)c(C#N)c1C ZINC000482152197 862746312 /nfs/dbraw/zinc/74/63/12/862746312.db2.gz QMNFEORVGZKEMW-LAUBAEHRSA-N 1 2 396.535 3.841 20 30 GHEDLO C[C@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)Cn1cc[nH+]c1 ZINC000153783815 856106945 /nfs/dbraw/zinc/10/69/45/856106945.db2.gz YCJZAOGWTQPMGV-MRXNPFEDSA-N 1 2 376.485 3.972 20 30 GHEDLO CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)c1cccc(C#N)c1 ZINC000060441891 856297390 /nfs/dbraw/zinc/29/73/90/856297390.db2.gz VZRVPIAMNMBBAV-UHFFFAOYSA-N 1 2 388.471 3.886 20 30 GHEDLO CC1(C#N)CCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000507814143 856311147 /nfs/dbraw/zinc/31/11/47/856311147.db2.gz QPDGKYOWFWSNSG-QGZVFWFLSA-N 1 2 390.325 3.738 20 30 GHEDLO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000591869368 856394544 /nfs/dbraw/zinc/39/45/44/856394544.db2.gz GFQIIEAOYCFEJG-LAUBAEHRSA-N 1 2 387.487 3.978 20 30 GHEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000172395395 856420897 /nfs/dbraw/zinc/42/08/97/856420897.db2.gz IVEIRVBHPLMQSD-OAHLLOKOSA-N 1 2 379.489 3.549 20 30 GHEDLO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)c1 ZINC000173500748 856957737 /nfs/dbraw/zinc/95/77/37/856957737.db2.gz LJTBLEOLRUJIAF-LJQANCHMSA-N 1 2 390.443 3.963 20 30 GHEDLO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)c1 ZINC000173500748 856957748 /nfs/dbraw/zinc/95/77/48/856957748.db2.gz LJTBLEOLRUJIAF-LJQANCHMSA-N 1 2 390.443 3.963 20 30 GHEDLO CC[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(C#N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000592267971 857014942 /nfs/dbraw/zinc/01/49/42/857014942.db2.gz KDWWDOWARCGWLV-AEFFLSMTSA-N 1 2 387.846 3.703 20 30 GHEDLO CC[N@H+]1CC[C@@H](NC(=O)Nc2cccc(C#N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000592267971 857014955 /nfs/dbraw/zinc/01/49/55/857014955.db2.gz KDWWDOWARCGWLV-AEFFLSMTSA-N 1 2 387.846 3.703 20 30 GHEDLO CC(C)O[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000593054203 857203629 /nfs/dbraw/zinc/20/36/29/857203629.db2.gz CDVIFETZKCXVFS-DLBZAZTESA-N 1 2 375.538 3.766 20 30 GHEDLO CC(C)O[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000593054203 857203637 /nfs/dbraw/zinc/20/36/37/857203637.db2.gz CDVIFETZKCXVFS-DLBZAZTESA-N 1 2 375.538 3.766 20 30 GHEDLO C#CCCNC(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000733356244 862888583 /nfs/dbraw/zinc/88/85/83/862888583.db2.gz NPTUDLVOMYRLNB-NRFANRHFSA-N 1 2 381.907 3.780 20 30 GHEDLO CC(C)(C#N)c1ccc(S(=O)(=O)N(CC(F)(F)F)c2cc[nH+]cc2)cc1 ZINC000593278061 857476731 /nfs/dbraw/zinc/47/67/31/857476731.db2.gz FRUITUPEYGUXMF-UHFFFAOYSA-N 1 2 383.395 3.640 20 30 GHEDLO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000466020793 857853821 /nfs/dbraw/zinc/85/38/21/857853821.db2.gz JMWWICUXWGUCID-VXKWHMMOSA-N 1 2 385.471 3.854 20 30 GHEDLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@]2(C#N)CC23CCCC3)[C@@H](C)C1 ZINC001128412665 858265300 /nfs/dbraw/zinc/26/53/00/858265300.db2.gz ZZILGBLVWNYJIR-FDDCHVKYSA-N 1 2 381.520 3.592 20 30 GHEDLO CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@]2(C#N)CC23CCCC3)[C@@H](C)C1 ZINC001128412665 858265304 /nfs/dbraw/zinc/26/53/04/858265304.db2.gz ZZILGBLVWNYJIR-FDDCHVKYSA-N 1 2 381.520 3.592 20 30 GHEDLO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000521786650 858324525 /nfs/dbraw/zinc/32/45/25/858324525.db2.gz NSNVUTSTUIYUCT-UHFFFAOYSA-N 1 2 379.508 3.501 20 30 GHEDLO N#Cc1cnc2c(F)c(F)c(F)cc2c1NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000439102707 858342685 /nfs/dbraw/zinc/34/26/85/858342685.db2.gz QZFLYZWWYWLCEP-UHFFFAOYSA-N 1 2 397.404 3.943 20 30 GHEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCCN(c4cccc(F)c4F)CC3)o2)cc1 ZINC000595506562 858548360 /nfs/dbraw/zinc/54/83/60/858548360.db2.gz IFVHMLNBGVDIHQ-UHFFFAOYSA-N 1 2 395.413 3.599 20 30 GHEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCCN(c4cccc(F)c4F)CC3)o2)cc1 ZINC000595506562 858548363 /nfs/dbraw/zinc/54/83/63/858548363.db2.gz IFVHMLNBGVDIHQ-UHFFFAOYSA-N 1 2 395.413 3.599 20 30 GHEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367058719 858549572 /nfs/dbraw/zinc/54/95/72/858549572.db2.gz WWUMZWQHFVBESR-SFHVURJKSA-N 1 2 394.544 3.604 20 30 GHEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000595550318 858564207 /nfs/dbraw/zinc/56/42/07/858564207.db2.gz AIAZRVUOEPLDKU-UHFFFAOYSA-N 1 2 375.432 3.797 20 30 GHEDLO Cc1cc([C@H](C)NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)s1 ZINC000046906266 858599316 /nfs/dbraw/zinc/59/93/16/858599316.db2.gz BSOROYKHRVVFLU-INIZCTEOSA-N 1 2 382.533 3.825 20 30 GHEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1 ZINC000595619466 858619634 /nfs/dbraw/zinc/61/96/34/858619634.db2.gz BOKMJUBPEDMQGV-HNNXBMFYSA-N 1 2 382.489 3.565 20 30 GHEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1 ZINC000595619466 858619642 /nfs/dbraw/zinc/61/96/42/858619642.db2.gz BOKMJUBPEDMQGV-HNNXBMFYSA-N 1 2 382.489 3.565 20 30 GHEDLO CC(C)(C)c1cc(NC(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)n(-c2ccccc2)n1 ZINC000595615700 858632369 /nfs/dbraw/zinc/63/23/69/858632369.db2.gz NAQJKEPFCBNFFC-KRWDZBQOSA-N 1 2 379.508 3.734 20 30 GHEDLO CC(C)(C)c1cc(NC(=O)C[N@H+]2CCC[C@@H](CC#N)C2)n(-c2ccccc2)n1 ZINC000595615700 858632378 /nfs/dbraw/zinc/63/23/78/858632378.db2.gz NAQJKEPFCBNFFC-KRWDZBQOSA-N 1 2 379.508 3.734 20 30 GHEDLO N#Cc1ccc(NC(=O)CC[N@H+]2CCOC[C@H]2c2cccc(F)c2)cc1Cl ZINC000595762135 858661269 /nfs/dbraw/zinc/66/12/69/858661269.db2.gz ZXBDNIDPXULTFR-IBGZPJMESA-N 1 2 387.842 3.753 20 30 GHEDLO N#Cc1ccc(NC(=O)CC[N@@H+]2CCOC[C@H]2c2cccc(F)c2)cc1Cl ZINC000595762135 858661279 /nfs/dbraw/zinc/66/12/79/858661279.db2.gz ZXBDNIDPXULTFR-IBGZPJMESA-N 1 2 387.842 3.753 20 30 GHEDLO Cc1ccc([C@H](CN=Cc2cc3ccccc3[nH]c2=O)[NH+]2CCOCC2)cc1 ZINC000126944975 858668503 /nfs/dbraw/zinc/66/85/03/858668503.db2.gz BBWPYCHQZDLYJM-NMWDDECMSA-N 1 2 375.472 3.741 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(c2ccon2)CC1 ZINC000595828780 858701318 /nfs/dbraw/zinc/70/13/18/858701318.db2.gz MCGZUESAXDYZHP-OAHLLOKOSA-N 1 2 384.505 3.887 20 30 GHEDLO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC3(CCc4ccccc4O3)CC2)C1=O ZINC000595829485 858701467 /nfs/dbraw/zinc/70/14/67/858701467.db2.gz UPBODPIEWGKEQM-SFHVURJKSA-N 1 2 393.512 3.585 20 30 GHEDLO C=CCCSCCNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000596701899 859018219 /nfs/dbraw/zinc/01/82/19/859018219.db2.gz ZDRIGFKRYCRAMD-IAGOWNOFSA-N 1 2 377.554 3.727 20 30 GHEDLO CSc1cc(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1C ZINC000593297702 859325484 /nfs/dbraw/zinc/32/54/84/859325484.db2.gz MGPMJAGXXFLZPS-UHFFFAOYSA-N 1 2 380.517 3.938 20 30 GHEDLO COc1cc(C[NH+]2CCN(c3ccsc3C#N)CC2)c(SC)cc1OC ZINC000597183164 859342765 /nfs/dbraw/zinc/34/27/65/859342765.db2.gz JOHBXXAFNLRKEC-UHFFFAOYSA-N 1 2 389.546 3.681 20 30 GHEDLO Cc1cc(C)c(C)c(OCCC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000499735208 859405911 /nfs/dbraw/zinc/40/59/11/859405911.db2.gz PKVHKAFZGMLEGE-UHFFFAOYSA-N 1 2 391.515 3.597 20 30 GHEDLO CCC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@H](C)c1ccccc1OC ZINC000611089070 859599996 /nfs/dbraw/zinc/59/99/96/859599996.db2.gz QWNFQJLMUCEDPH-QGZVFWFLSA-N 1 2 386.517 3.814 20 30 GHEDLO CCC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@H](C)c1ccccc1OC ZINC000611089070 859600001 /nfs/dbraw/zinc/60/00/01/859600001.db2.gz QWNFQJLMUCEDPH-QGZVFWFLSA-N 1 2 386.517 3.814 20 30 GHEDLO Cc1cc(C[NH+]2CCN([C@H](C#N)C(C)C)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000611432360 859754133 /nfs/dbraw/zinc/75/41/33/859754133.db2.gz VIWBQWWDTPWVJF-HXUWFJFHSA-N 1 2 383.927 3.771 20 30 GHEDLO N#Cc1cccc(Oc2ccc(NC(=O)c3cc(-n4cc[nH+]c4)ccn3)cn2)c1 ZINC000611510191 859791035 /nfs/dbraw/zinc/79/10/35/859791035.db2.gz UCGRXZLEVHETJO-UHFFFAOYSA-N 1 2 382.383 3.579 20 30 GHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2ccn(Cc3cccc(OC)c3)c2c1 ZINC000765318397 859912308 /nfs/dbraw/zinc/91/23/08/859912308.db2.gz FIXZETAADPPOLU-QFIPXVFZSA-N 1 2 387.483 3.734 20 30 GHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2ccn(Cc3cccc(OC)c3)c2c1 ZINC000765318397 859912322 /nfs/dbraw/zinc/91/23/22/859912322.db2.gz FIXZETAADPPOLU-QFIPXVFZSA-N 1 2 387.483 3.734 20 30 GHEDLO Fc1cc(C=[NH+]Nc2ccccc2Br)ccc1N1CCOCC1 ZINC000727256035 860006158 /nfs/dbraw/zinc/00/61/58/860006158.db2.gz RDUIKDUNYQKWSI-UHFFFAOYSA-N 1 2 378.245 3.871 20 30 GHEDLO C#Cc1cccc(NC(=S)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)c1 ZINC000765521694 860062019 /nfs/dbraw/zinc/06/20/19/860062019.db2.gz SWBSELJDHSJKAH-UXHICEINSA-N 1 2 399.947 3.680 20 30 GHEDLO C#Cc1cccc(NC(=S)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000765521694 860062025 /nfs/dbraw/zinc/06/20/25/860062025.db2.gz SWBSELJDHSJKAH-UXHICEINSA-N 1 2 399.947 3.680 20 30 GHEDLO N#Cc1ccc(OCc2ccc(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)o2)cc1 ZINC000727994852 860341645 /nfs/dbraw/zinc/34/16/45/860341645.db2.gz QJILVNSCBADGDN-UHFFFAOYSA-N 1 2 398.422 3.846 20 30 GHEDLO N#Cc1cc(F)cc(C2(C(=O)NCC[N@@H+]3CCc4c(Cl)cccc4C3)CC2)c1 ZINC000552485607 860537987 /nfs/dbraw/zinc/53/79/87/860537987.db2.gz FNFDZRWGSXPKPO-UHFFFAOYSA-N 1 2 397.881 3.557 20 30 GHEDLO N#Cc1cc(F)cc(C2(C(=O)NCC[N@H+]3CCc4c(Cl)cccc4C3)CC2)c1 ZINC000552485607 860537995 /nfs/dbraw/zinc/53/79/95/860537995.db2.gz FNFDZRWGSXPKPO-UHFFFAOYSA-N 1 2 397.881 3.557 20 30 GHEDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000329022892 860953476 /nfs/dbraw/zinc/95/34/76/860953476.db2.gz UGUBHWQOWXDUQW-UHFFFAOYSA-N 1 2 398.551 3.741 20 30 GHEDLO Cc1cc(Cl)cc(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)c1 ZINC000329043104 860972383 /nfs/dbraw/zinc/97/23/83/860972383.db2.gz UAPIPKLTJQKIDM-VQIMIIECSA-N 1 2 386.883 3.581 20 30 GHEDLO CC[C@@H](C#N)Oc1cccc(CNC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)c1 ZINC000733852061 863218941 /nfs/dbraw/zinc/21/89/41/863218941.db2.gz QZJNHBCQOKATNU-SFHVURJKSA-N 1 2 396.491 3.730 20 30 GHEDLO CC(C)(C)n1ncnc1C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000282624191 863262629 /nfs/dbraw/zinc/26/26/29/863262629.db2.gz JEXGLEMTMJDVJV-UHFFFAOYSA-N 1 2 375.476 3.774 20 30 GHEDLO C#CCNC(=O)C[N@@H+](Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1 ZINC000920088046 881656861 /nfs/dbraw/zinc/65/68/61/881656861.db2.gz PSKGNBHMSFNHAA-UHFFFAOYSA-N 1 2 376.378 3.679 20 30 GHEDLO C#CCNC(=O)C[N@H+](Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1 ZINC000920088046 881656870 /nfs/dbraw/zinc/65/68/70/881656870.db2.gz PSKGNBHMSFNHAA-UHFFFAOYSA-N 1 2 376.378 3.679 20 30 GHEDLO COc1cccc(N2CC[NH+](Cc3ccc(C#N)cc3Br)CC2)c1 ZINC000480679883 865078572 /nfs/dbraw/zinc/07/85/72/865078572.db2.gz NLMCFAQGCFZJOP-UHFFFAOYSA-N 1 2 386.293 3.652 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@@H]3OCc4cc(Cl)ccc43)CC2)cc1 ZINC000594212574 865393449 /nfs/dbraw/zinc/39/34/49/865393449.db2.gz ZRPWJPDNKNBOPW-NRFANRHFSA-N 1 2 395.890 3.517 20 30 GHEDLO C=CCn1c(-c2ccc(F)cc2)nn(CN2CCC[C@H](n3cc[nH+]c3)C2)c1=S ZINC000738158648 865498774 /nfs/dbraw/zinc/49/87/74/865498774.db2.gz OJUMCSPGOYVWTC-SFHVURJKSA-N 1 2 398.511 3.897 20 30 GHEDLO C[C@H]1c2c(F)cccc2CC[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000738343002 865525493 /nfs/dbraw/zinc/52/54/93/865525493.db2.gz XBDLDCVFOJSGNT-WMLDXEAASA-N 1 2 386.430 3.982 20 30 GHEDLO C[C@H]1c2c(F)cccc2CC[N@@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000738343002 865525499 /nfs/dbraw/zinc/52/54/99/865525499.db2.gz XBDLDCVFOJSGNT-WMLDXEAASA-N 1 2 386.430 3.982 20 30 GHEDLO COC(=O)[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000739903738 865824859 /nfs/dbraw/zinc/82/48/59/865824859.db2.gz MUCMPSZSLIMXIS-JOCHJYFZSA-N 1 2 378.472 3.823 20 30 GHEDLO N#Cc1ccc(-c2cccc(CNC(=O)NCCNc3cccc[nH+]3)c2)s1 ZINC000740060218 865838589 /nfs/dbraw/zinc/83/85/89/865838589.db2.gz QUZHGGCRFNHRSE-UHFFFAOYSA-N 1 2 377.473 3.593 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](O)C(F)(F)F)c(Br)c1 ZINC000481144459 865880025 /nfs/dbraw/zinc/88/00/25/865880025.db2.gz QAMGFSLHGFQXCZ-ZIAGYGMSSA-N 1 2 377.204 3.598 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](O)C(F)(F)F)c(Br)c1 ZINC000481144459 865880036 /nfs/dbraw/zinc/88/00/36/865880036.db2.gz QAMGFSLHGFQXCZ-ZIAGYGMSSA-N 1 2 377.204 3.598 20 30 GHEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(-c2nc3cc(F)ccc3n2C)ccc1C ZINC000741234717 866331176 /nfs/dbraw/zinc/33/11/76/866331176.db2.gz MRVLSQPQQIYHSS-NRFANRHFSA-N 1 2 390.462 3.724 20 30 GHEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(-c2nc3cc(F)ccc3n2C)ccc1C ZINC000741234717 866331198 /nfs/dbraw/zinc/33/11/98/866331198.db2.gz MRVLSQPQQIYHSS-NRFANRHFSA-N 1 2 390.462 3.724 20 30 GHEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)C3(c4ccc(C#N)cc4)CC3)CC2)c1 ZINC000186633158 866423265 /nfs/dbraw/zinc/42/32/65/866423265.db2.gz YMVFSVAPTRNZKY-SFHVURJKSA-N 1 2 389.499 3.504 20 30 GHEDLO Cc1cc(NC[C@H](c2ccc(C(F)(F)F)cc2)[NH+]2CCOCC2)cc(C#N)n1 ZINC000552997076 866601808 /nfs/dbraw/zinc/60/18/08/866601808.db2.gz VLNCAJAFZDXPRW-LJQANCHMSA-N 1 2 390.409 3.766 20 30 GHEDLO FC(F)(F)c1cccc(N[NH+]=Cc2c(N3CCOCC3)nc3ccccn32)c1 ZINC000741811413 866808375 /nfs/dbraw/zinc/80/83/75/866808375.db2.gz VMWJRWLOTPGMJK-UHFFFAOYSA-N 1 2 389.381 3.636 20 30 GHEDLO C=CCn1c([C@H]2COc3ccccc3O2)nn(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1=S ZINC000742165411 867090750 /nfs/dbraw/zinc/09/07/50/867090750.db2.gz UQEPFRKTWJTZBP-RVKKMQEKSA-N 1 2 398.532 3.658 20 30 GHEDLO C=CCn1c([C@H]2COc3ccccc3O2)nn(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1=S ZINC000742165411 867090770 /nfs/dbraw/zinc/09/07/70/867090770.db2.gz UQEPFRKTWJTZBP-RVKKMQEKSA-N 1 2 398.532 3.658 20 30 GHEDLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000534598384 867107772 /nfs/dbraw/zinc/10/77/72/867107772.db2.gz IYKQYCINONKAEK-NRFANRHFSA-N 1 2 387.439 3.647 20 30 GHEDLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000534598384 867107783 /nfs/dbraw/zinc/10/77/83/867107783.db2.gz IYKQYCINONKAEK-NRFANRHFSA-N 1 2 387.439 3.647 20 30 GHEDLO C[C@@H](CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+])Sc1ccccc1 ZINC000742266163 867181655 /nfs/dbraw/zinc/18/16/55/867181655.db2.gz KGQFEZGEORMSHN-HNNXBMFYSA-N 1 2 392.528 3.827 20 30 GHEDLO NC(=[NH+]OCc1nnc(C2CC2)o1)c1ccc(COc2ccccc2F)cc1 ZINC000742356425 867231199 /nfs/dbraw/zinc/23/11/99/867231199.db2.gz BMPSORPYKOQBAT-UHFFFAOYSA-N 1 2 382.395 3.502 20 30 GHEDLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3cccc(CC#N)c3)CC2)c1 ZINC000455922464 867247848 /nfs/dbraw/zinc/24/78/48/867247848.db2.gz QVSTWONKBZYEQJ-KRWDZBQOSA-N 1 2 378.476 3.672 20 30 GHEDLO N#Cc1ccccc1N1CCC[N@@H+](CN2C(=O)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000743355957 868106007 /nfs/dbraw/zinc/10/60/07/868106007.db2.gz JDPJSUXDHRZWIE-NRFANRHFSA-N 1 2 394.906 3.655 20 30 GHEDLO N#Cc1ccccc1N1CCC[N@H+](CN2C(=O)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000743355957 868106019 /nfs/dbraw/zinc/10/60/19/868106019.db2.gz JDPJSUXDHRZWIE-NRFANRHFSA-N 1 2 394.906 3.655 20 30 GHEDLO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000152108172 868351946 /nfs/dbraw/zinc/35/19/46/868351946.db2.gz RJXHMDKIIKPJFC-KRWDZBQOSA-N 1 2 395.528 3.822 20 30 GHEDLO OC[C@@H]1C[N@H+](Cc2cc(F)c(C(F)(F)F)cc2F)CC[C@@H]1C(F)(F)F ZINC000553899960 868416936 /nfs/dbraw/zinc/41/69/36/868416936.db2.gz UYZOFHVSSGCWIS-UWVGGRQHSA-N 1 2 377.275 3.976 20 30 GHEDLO OC[C@@H]1C[N@@H+](Cc2cc(F)c(C(F)(F)F)cc2F)CC[C@@H]1C(F)(F)F ZINC000553899960 868416945 /nfs/dbraw/zinc/41/69/45/868416945.db2.gz UYZOFHVSSGCWIS-UWVGGRQHSA-N 1 2 377.275 3.976 20 30 GHEDLO CC(C)C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1ccnc(C#N)c1 ZINC000553974051 868548430 /nfs/dbraw/zinc/54/84/30/868548430.db2.gz OMHPYEIZMDMOMO-NRFANRHFSA-N 1 2 396.922 3.979 20 30 GHEDLO CC(C)C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)c1ccnc(C#N)c1 ZINC000553974051 868548437 /nfs/dbraw/zinc/54/84/37/868548437.db2.gz OMHPYEIZMDMOMO-NRFANRHFSA-N 1 2 396.922 3.979 20 30 GHEDLO CC[C@@](C)([NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)c1nccs1 ZINC000744404190 868811943 /nfs/dbraw/zinc/81/19/43/868811943.db2.gz JNWSIVWASVRBHK-VBKZILBWSA-N 1 2 377.473 3.595 20 30 GHEDLO CC[NH+](CC)[C@H](C(=O)O[C@@H](C)C(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000744995153 869219798 /nfs/dbraw/zinc/21/97/98/869219798.db2.gz ATWTZKXLBFQGOG-JXFKEZNVSA-N 1 2 379.460 3.512 20 30 GHEDLO N#Cc1cccc(OCc2cccc(C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)c2)c1 ZINC000152825284 869246072 /nfs/dbraw/zinc/24/60/72/869246072.db2.gz UBYQOSHJPSMBNY-NRFANRHFSA-N 1 2 398.466 3.541 20 30 GHEDLO CCN(CCC#N)C(=O)C[NH2+][C@@H](c1cccc(OC)c1)c1ccccc1Cl ZINC000121903749 882342033 /nfs/dbraw/zinc/34/20/33/882342033.db2.gz NNCKQMKVIIKAIR-NRFANRHFSA-N 1 2 385.895 3.790 20 30 GHEDLO CSc1ccc(F)cc1CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000745977400 869923147 /nfs/dbraw/zinc/92/31/47/869923147.db2.gz QKDXRRVNRFMDSZ-UHFFFAOYSA-N 1 2 396.491 3.707 20 30 GHEDLO Cc1cc2c(c(C)c1)C(=O)C(=O)N2C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000746056001 869986556 /nfs/dbraw/zinc/98/65/56/869986556.db2.gz OGDQZDYTQYPDGK-UHFFFAOYSA-N 1 2 375.472 3.820 20 30 GHEDLO Cc1cc2c(c(C)c1)C(=O)C(=O)N2C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000746056001 869986568 /nfs/dbraw/zinc/98/65/68/869986568.db2.gz OGDQZDYTQYPDGK-UHFFFAOYSA-N 1 2 375.472 3.820 20 30 GHEDLO COc1ccc2c(c1)C[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@@H](c1ccccc1)C2 ZINC000121977606 882361196 /nfs/dbraw/zinc/36/11/96/882361196.db2.gz BEECUCMDWPTDPJ-ISKFKSNPSA-N 1 2 391.515 3.849 20 30 GHEDLO COc1ccc2c(c1)C[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@@H](c1ccccc1)C2 ZINC000121977606 882361206 /nfs/dbraw/zinc/36/12/06/882361206.db2.gz BEECUCMDWPTDPJ-ISKFKSNPSA-N 1 2 391.515 3.849 20 30 GHEDLO CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(Cc2cccc3ccccc32)CC1=O ZINC000746365792 870559531 /nfs/dbraw/zinc/55/95/31/870559531.db2.gz NTRZOPYMWOYWNO-UHFFFAOYSA-N 1 2 382.467 4.000 20 30 GHEDLO Cc1ccc(N2CC[NH+]([C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)CC2)cc1C ZINC001168918951 871009879 /nfs/dbraw/zinc/00/98/79/871009879.db2.gz RWMRKNIIABBXRB-RUPGZQMFSA-N 1 2 396.579 3.745 20 30 GHEDLO C#CCOCC[N@@H+](C)CC(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC001168933917 871015633 /nfs/dbraw/zinc/01/56/33/871015633.db2.gz SHLPEPONNHSSPA-UHFFFAOYSA-N 1 2 398.315 3.637 20 30 GHEDLO C#CCOCC[N@H+](C)CC(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC001168933917 871015644 /nfs/dbraw/zinc/01/56/44/871015644.db2.gz SHLPEPONNHSSPA-UHFFFAOYSA-N 1 2 398.315 3.637 20 30 GHEDLO N#Cc1c2c(cn(C[N@@H+]3Cc4ccccc4C[C@@H]3c3ccccc3)c1=O)CCC2 ZINC000766637808 871343851 /nfs/dbraw/zinc/34/38/51/871343851.db2.gz QWDJMAROFQSWII-XMMPIXPASA-N 1 2 381.479 3.966 20 30 GHEDLO N#Cc1c2c(cn(C[N@H+]3Cc4ccccc4C[C@@H]3c3ccccc3)c1=O)CCC2 ZINC000766637808 871343871 /nfs/dbraw/zinc/34/38/71/871343871.db2.gz QWDJMAROFQSWII-XMMPIXPASA-N 1 2 381.479 3.966 20 30 GHEDLO C[C@@H](CCc1ccccc1F)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000463284851 871376226 /nfs/dbraw/zinc/37/62/26/871376226.db2.gz XDCUQEIZVOFNOO-SFHVURJKSA-N 1 2 379.479 3.610 20 30 GHEDLO C[C@H]1CN(c2ccc(NCc3cccc(OCCCC#N)c3)c[nH+]2)C[C@H](C)O1 ZINC000525998007 871913920 /nfs/dbraw/zinc/91/39/20/871913920.db2.gz RWMHPARBBRAHCI-ROUUACIJSA-N 1 2 380.492 3.990 20 30 GHEDLO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000618852126 872076663 /nfs/dbraw/zinc/07/66/63/872076663.db2.gz RZFAZVYOPYEFEQ-ILHLOOHCSA-N 1 2 386.499 3.586 20 30 GHEDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@H]2CCc3cc(C#N)ccc32)CC1 ZINC000618854373 872080814 /nfs/dbraw/zinc/08/08/14/872080814.db2.gz VRDZAFCEVDKWHT-QRWLVFNGSA-N 1 2 380.517 3.695 20 30 GHEDLO C[C@H](Cc1ccc(O)cc1)[N@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000766941665 872101644 /nfs/dbraw/zinc/10/16/44/872101644.db2.gz IYXGWABAANLKRS-PBHICJAKSA-N 1 2 379.485 3.741 20 30 GHEDLO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000766941665 872101659 /nfs/dbraw/zinc/10/16/59/872101659.db2.gz IYXGWABAANLKRS-PBHICJAKSA-N 1 2 379.485 3.741 20 30 GHEDLO C=C(C)COc1cc(C[N@H+](C)Cc2nc(-c3cccnc3)no2)ccc1OC ZINC000093382912 872134279 /nfs/dbraw/zinc/13/42/79/872134279.db2.gz TYUKTIJKWPUHGP-UHFFFAOYSA-N 1 2 380.448 3.727 20 30 GHEDLO C=C(C)COc1cc(C[N@@H+](C)Cc2nc(-c3cccnc3)no2)ccc1OC ZINC000093382912 872134284 /nfs/dbraw/zinc/13/42/84/872134284.db2.gz TYUKTIJKWPUHGP-UHFFFAOYSA-N 1 2 380.448 3.727 20 30 GHEDLO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000767017309 872173463 /nfs/dbraw/zinc/17/34/63/872173463.db2.gz GJJLEVRHKQUMQD-MDASCCDHSA-N 1 2 385.533 3.998 20 30 GHEDLO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000767017309 872173470 /nfs/dbraw/zinc/17/34/70/872173470.db2.gz GJJLEVRHKQUMQD-MDASCCDHSA-N 1 2 385.533 3.998 20 30 GHEDLO C#C[C@H]1CCC[N@@H+](CCOc2c(Br)cccc2Br)C1 ZINC001195559437 872502449 /nfs/dbraw/zinc/50/24/49/872502449.db2.gz SUQZSYHOQAURCN-LBPRGKRZSA-N 1 2 387.115 3.936 20 30 GHEDLO C#C[C@H]1CCC[N@H+](CCOc2c(Br)cccc2Br)C1 ZINC001195559437 872502452 /nfs/dbraw/zinc/50/24/52/872502452.db2.gz SUQZSYHOQAURCN-LBPRGKRZSA-N 1 2 387.115 3.936 20 30 GHEDLO N#CCC1CC[NH+](Cc2nc(Cc3cccc(Br)c3)no2)CC1 ZINC000541021446 872734169 /nfs/dbraw/zinc/73/41/69/872734169.db2.gz PZUAYZAUVDWFPO-UHFFFAOYSA-N 1 2 375.270 3.549 20 30 GHEDLO N#Cc1ccc(CSCC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000541237063 873195714 /nfs/dbraw/zinc/19/57/14/873195714.db2.gz CKLDJPLZQIKQPO-UHFFFAOYSA-N 1 2 382.533 3.707 20 30 GHEDLO Cc1cc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c(C)n1-c1ccc(C#N)cc1 ZINC000102914115 873813762 /nfs/dbraw/zinc/81/37/62/873813762.db2.gz CXXIKVWWYHJTBG-UHFFFAOYSA-N 1 2 399.498 3.891 20 30 GHEDLO C=CC[C@H](CC)NC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000541580623 873868523 /nfs/dbraw/zinc/86/85/23/873868523.db2.gz VJGGVAWGUZGRQQ-AWEZNQCLSA-N 1 2 379.302 3.602 20 30 GHEDLO Cc1cc(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1Cl ZINC000541581895 873870025 /nfs/dbraw/zinc/87/00/25/873870025.db2.gz FUGOQNONTCUDIR-UHFFFAOYSA-N 1 2 382.895 3.548 20 30 GHEDLO C#CCCOc1ccc(C[NH+]2CCN(C(=O)Nc3cccc(C)c3)CC2)cc1 ZINC000769229467 873906184 /nfs/dbraw/zinc/90/61/84/873906184.db2.gz KUOFNAVBDQJBKL-UHFFFAOYSA-N 1 2 377.488 3.747 20 30 GHEDLO C#C[C@H]([NH2+][C@H](C(=O)Nc1ccccc1OCC)c1ccccc1)[C@H]1CCCO1 ZINC000775788136 874046893 /nfs/dbraw/zinc/04/68/93/874046893.db2.gz CXSSBGCUZXNUMX-DWLFOUALSA-N 1 2 378.472 3.536 20 30 GHEDLO C#CC[NH+](CC#C)Cc1cn(-c2ccccc2)nc1-c1cc(OC)ccc1OC ZINC000769443354 874058323 /nfs/dbraw/zinc/05/83/23/874058323.db2.gz XPNWSDVPQGXOGG-UHFFFAOYSA-N 1 2 385.467 3.625 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(Cc3nnc(-c4ccccc4Cl)o3)CC2)cc1 ZINC000023258034 874165142 /nfs/dbraw/zinc/16/51/42/874165142.db2.gz JWACERZDLGWVDQ-UHFFFAOYSA-N 1 2 393.878 3.579 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(c3ccc(C#N)cc3)CC2)c(C#N)c1C ZINC001198210761 874275783 /nfs/dbraw/zinc/27/57/83/874275783.db2.gz LOYOCGVFAMLKGZ-OAHLLOKOSA-N 1 2 376.460 3.846 20 30 GHEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC001198230545 874299285 /nfs/dbraw/zinc/29/92/85/874299285.db2.gz RIXPGXPHXJZAAE-SFHVURJKSA-N 1 2 398.850 3.514 20 30 GHEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC001198230545 874299296 /nfs/dbraw/zinc/29/92/96/874299296.db2.gz RIXPGXPHXJZAAE-SFHVURJKSA-N 1 2 398.850 3.514 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](Cc3cnc(-c4ccccc4F)s3)CC2)nc1 ZINC000449011366 874355932 /nfs/dbraw/zinc/35/59/32/874355932.db2.gz PVMDHQWTNHZTCS-UHFFFAOYSA-N 1 2 379.464 3.538 20 30 GHEDLO N#C[C@H](c1ccccc1)c1ccc(NC(=O)N[C@H]2Cc3c[nH+]cn3C2)cc1Cl ZINC001198361995 874373756 /nfs/dbraw/zinc/37/37/56/874373756.db2.gz FUAGIZFQZOUPIB-QFBILLFUSA-N 1 2 391.862 3.938 20 30 GHEDLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2cccc(C)c2C)nc1 ZINC001198597267 874506715 /nfs/dbraw/zinc/50/67/15/874506715.db2.gz SAOHODZDLXLBSB-JOCHJYFZSA-N 1 2 392.503 3.791 20 30 GHEDLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2cccc(C)c2C)nc1 ZINC001198597267 874506727 /nfs/dbraw/zinc/50/67/27/874506727.db2.gz SAOHODZDLXLBSB-JOCHJYFZSA-N 1 2 392.503 3.791 20 30 GHEDLO C[NH+](C)Cc1nc(CSCCNc2ccc3nc(C#N)ccc3c2)cs1 ZINC001168109222 874861044 /nfs/dbraw/zinc/86/10/44/874861044.db2.gz WSJTWQCWGBTOPV-UHFFFAOYSA-N 1 2 383.546 3.970 20 30 GHEDLO C=CC[N@H+](CCc1ccco1)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000491342782 875538980 /nfs/dbraw/zinc/53/89/80/875538980.db2.gz KPSKPKBBCXPPBD-LJQANCHMSA-N 1 2 393.443 3.874 20 30 GHEDLO C=CC[N@@H+](CCc1ccco1)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000491342782 875538983 /nfs/dbraw/zinc/53/89/83/875538983.db2.gz KPSKPKBBCXPPBD-LJQANCHMSA-N 1 2 393.443 3.874 20 30 GHEDLO C=CC[N@@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccc(OC)cc1)C1CC1 ZINC000772383418 875934996 /nfs/dbraw/zinc/93/49/96/875934996.db2.gz WHLNVCHYSOOQSB-UHFFFAOYSA-N 1 2 379.460 3.536 20 30 GHEDLO C=CC[N@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccc(OC)cc1)C1CC1 ZINC000772383418 875935005 /nfs/dbraw/zinc/93/50/05/875935005.db2.gz WHLNVCHYSOOQSB-UHFFFAOYSA-N 1 2 379.460 3.536 20 30 GHEDLO CCO[C@@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC000610002245 877275266 /nfs/dbraw/zinc/27/52/66/877275266.db2.gz STSKCPVMADMPNW-LJQANCHMSA-N 1 2 386.540 3.921 20 30 GHEDLO CCO[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC000610002245 877275279 /nfs/dbraw/zinc/27/52/79/877275279.db2.gz STSKCPVMADMPNW-LJQANCHMSA-N 1 2 386.540 3.921 20 30 GHEDLO N#Cc1cccc(COc2cccc(C[NH2+][C@@H](C(N)=O)c3ccc(F)cc3)c2)c1 ZINC000130776719 877447949 /nfs/dbraw/zinc/44/79/49/877447949.db2.gz NWKAJIYNKFGCHA-JOCHJYFZSA-N 1 2 389.430 3.593 20 30 GHEDLO N#Cc1cccc(COc2cccc(C[N@H+]3CCOC[C@@H]3[C@@H]3CCCC3=O)c2)c1 ZINC000530389130 877685150 /nfs/dbraw/zinc/68/51/50/877685150.db2.gz STUJBLLDEGSEEQ-XZOQPEGZSA-N 1 2 390.483 3.707 20 30 GHEDLO N#Cc1cccc(COc2cccc(C[N@@H+]3CCOC[C@@H]3[C@@H]3CCCC3=O)c2)c1 ZINC000530389130 877685163 /nfs/dbraw/zinc/68/51/63/877685163.db2.gz STUJBLLDEGSEEQ-XZOQPEGZSA-N 1 2 390.483 3.707 20 30 GHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550408 878130397 /nfs/dbraw/zinc/13/03/97/878130397.db2.gz ROGBCBSIUSKIGJ-QUCCMNQESA-N 1 2 379.416 3.560 20 30 GHEDLO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550408 878130406 /nfs/dbraw/zinc/13/04/06/878130406.db2.gz ROGBCBSIUSKIGJ-QUCCMNQESA-N 1 2 379.416 3.560 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c(C#N)c1C ZINC000451553202 878137695 /nfs/dbraw/zinc/13/76/95/878137695.db2.gz XVFXGHQALLALSU-RHSMWYFYSA-N 1 2 396.447 3.883 20 30 GHEDLO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c(C#N)c1C ZINC000451553202 878137704 /nfs/dbraw/zinc/13/77/04/878137704.db2.gz XVFXGHQALLALSU-RHSMWYFYSA-N 1 2 396.447 3.883 20 30 GHEDLO C[C@H](C#N)Oc1ccc(C[NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000179933730 878223101 /nfs/dbraw/zinc/22/31/01/878223101.db2.gz BDYSJZPDPAURKA-MRXNPFEDSA-N 1 2 383.879 3.589 20 30 GHEDLO COC(=O)c1cc2cc(C[N@@H+]3CCC[C@@](C#N)(c4ccccn4)C3)ccc2o1 ZINC000852328397 878243554 /nfs/dbraw/zinc/24/35/54/878243554.db2.gz DGIZMTXQFUMESF-QFIPXVFZSA-N 1 2 375.428 3.672 20 30 GHEDLO COC(=O)c1cc2cc(C[N@H+]3CCC[C@@](C#N)(c4ccccn4)C3)ccc2o1 ZINC000852328397 878243565 /nfs/dbraw/zinc/24/35/65/878243565.db2.gz DGIZMTXQFUMESF-QFIPXVFZSA-N 1 2 375.428 3.672 20 30 GHEDLO C=CCOc1cccc(C[NH2+]Cc2csc(CNC(=O)c3ccccc3)n2)c1 ZINC000530694379 878334677 /nfs/dbraw/zinc/33/46/77/878334677.db2.gz DQOPGNYYVFPYPQ-UHFFFAOYSA-N 1 2 393.512 3.928 20 30 GHEDLO CSc1nc(C2CC2)cc(C(=O)NCCCCNc2cccc[nH+]2)c1C#N ZINC000068423142 878488537 /nfs/dbraw/zinc/48/85/37/878488537.db2.gz JUAWOCMLJQWASQ-UHFFFAOYSA-N 1 2 381.505 3.570 20 30 GHEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000616132565 878562607 /nfs/dbraw/zinc/56/26/07/878562607.db2.gz OZMIABUEXPKTKO-OALUTQOASA-N 1 2 394.494 3.672 20 30 GHEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000616132565 878562627 /nfs/dbraw/zinc/56/26/27/878562627.db2.gz OZMIABUEXPKTKO-OALUTQOASA-N 1 2 394.494 3.672 20 30 GHEDLO N#Cc1ccccc1S(=O)(=O)Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000790424288 879708362 /nfs/dbraw/zinc/70/83/62/879708362.db2.gz SEBMLLHWTIEZLW-UHFFFAOYSA-N 1 2 379.441 3.526 20 30 GHEDLO CC(C)(C)OC(=O)NCc1ccc(C(N)=[NH+]OCCCC2CCOCC2)cc1 ZINC000790439881 879726614 /nfs/dbraw/zinc/72/66/14/879726614.db2.gz TYCGXCMEOGKLNH-UHFFFAOYSA-N 1 2 391.512 3.555 20 30 GHEDLO CC(=O)Oc1ccc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)cc1 ZINC000791622974 880548449 /nfs/dbraw/zinc/54/84/49/880548449.db2.gz FTPITAXLMAFMLA-NRFANRHFSA-N 1 2 383.879 3.648 20 30 GHEDLO N#Cc1ccc(OC2CC[NH+](Cn3ccc(-c4nccs4)n3)CC2)c(F)c1 ZINC000795713718 912655479 /nfs/dbraw/zinc/65/54/79/912655479.db2.gz KCFOFEOUCJKEAY-UHFFFAOYSA-N 1 2 383.452 3.518 20 30 GHEDLO Cc1cn2ccc(I)c(NCc3ccc(C#N)s3)c2[nH+]1 ZINC001170199637 881235070 /nfs/dbraw/zinc/23/50/70/881235070.db2.gz DHUKRAXLFRHOII-UHFFFAOYSA-N 1 2 394.241 3.793 20 30 GHEDLO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H]([NH2+]Cc2ccccc2CC(F)(F)F)C1 ZINC000858591259 883220250 /nfs/dbraw/zinc/22/02/50/883220250.db2.gz OUTGXBJOTJAFOT-JKSUJKDBSA-N 1 2 383.414 3.640 20 30 GHEDLO CC(C)(C)OC(=O)O[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC001137632683 883287729 /nfs/dbraw/zinc/28/77/29/883287729.db2.gz IWYRFSLJQAABPS-CQSZACIVSA-N 1 2 381.270 3.847 20 30 GHEDLO CC(C)(C)OC(=O)O[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC001137632683 883287745 /nfs/dbraw/zinc/28/77/45/883287745.db2.gz IWYRFSLJQAABPS-CQSZACIVSA-N 1 2 381.270 3.847 20 30 GHEDLO N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H](n4cc[nH+]c4)C3)cn2)cc1 ZINC000609553832 883366464 /nfs/dbraw/zinc/36/64/64/883366464.db2.gz KWUAKKSAZVYXIH-SFHVURJKSA-N 1 2 388.431 3.811 20 30 GHEDLO N#CC[C@@H](CC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)c1ccccc1 ZINC000476923972 883406275 /nfs/dbraw/zinc/40/62/75/883406275.db2.gz DWIWZXLXVJUFCP-SFHVURJKSA-N 1 2 381.907 3.902 20 30 GHEDLO N#CC[C@@H](CC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)c1ccccc1 ZINC000476923972 883406282 /nfs/dbraw/zinc/40/62/82/883406282.db2.gz DWIWZXLXVJUFCP-SFHVURJKSA-N 1 2 381.907 3.902 20 30 GHEDLO N#Cc1cc(N2CC[NH+]([C@H](CO)c3ccc(Cl)cc3)CC2)nc2ccccc12 ZINC000609893916 883805027 /nfs/dbraw/zinc/80/50/27/883805027.db2.gz USPXBNUWWGNHGL-OAQYLSRUSA-N 1 2 392.890 3.615 20 30 GHEDLO C[C@@H](CCCC(F)(F)F)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000494804975 883824786 /nfs/dbraw/zinc/82/47/86/883824786.db2.gz OODVSSXSSWLRTD-HNNXBMFYSA-N 1 2 382.430 3.507 20 30 GHEDLO C=CCn1c(SCCC[NH+]2CCN(C(C)C)CC2)nnc1-c1ccccc1C ZINC000556337029 884511186 /nfs/dbraw/zinc/51/11/86/884511186.db2.gz HLCWCHQQGKWQTB-UHFFFAOYSA-N 1 2 399.608 3.948 20 30 GHEDLO N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)N1CCc2cc(F)c(F)cc2C1 ZINC001183835350 912839257 /nfs/dbraw/zinc/83/92/57/912839257.db2.gz KWZWMLYNTSQDGO-QFIPXVFZSA-N 1 2 395.453 3.776 20 30 GHEDLO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)N1CCc2cc(F)c(F)cc2C1 ZINC001183835350 912839270 /nfs/dbraw/zinc/83/92/70/912839270.db2.gz KWZWMLYNTSQDGO-QFIPXVFZSA-N 1 2 395.453 3.776 20 30 GHEDLO CN(Cc1ccc(F)cc1F)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001183837158 912841354 /nfs/dbraw/zinc/84/13/54/912841354.db2.gz VQJCOAYYJDPTIC-NRFANRHFSA-N 1 2 383.442 3.850 20 30 GHEDLO CN(Cc1ccc(F)cc1F)C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001183837158 912841369 /nfs/dbraw/zinc/84/13/69/912841369.db2.gz VQJCOAYYJDPTIC-NRFANRHFSA-N 1 2 383.442 3.850 20 30 GHEDLO CC[NH+](CC)Cc1csc(NC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)n1 ZINC000780400990 885165981 /nfs/dbraw/zinc/16/59/81/885165981.db2.gz ONMSSVDWUQZPAL-UHFFFAOYSA-N 1 2 394.504 3.603 20 30 GHEDLO COc1ccc(-c2noc(C[NH+]3CCC(Oc4cccc(C#N)c4)CC3)n2)cc1 ZINC000104714736 885577557 /nfs/dbraw/zinc/57/75/57/885577557.db2.gz VUVYKBPVHGVOIV-UHFFFAOYSA-N 1 2 390.443 3.660 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000556687461 885902886 /nfs/dbraw/zinc/90/28/86/885902886.db2.gz XEMZQDLDPDEBLQ-WOJBJXKFSA-N 1 2 396.441 3.570 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000556687461 885902892 /nfs/dbraw/zinc/90/28/92/885902892.db2.gz XEMZQDLDPDEBLQ-WOJBJXKFSA-N 1 2 396.441 3.570 20 30 GHEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC=C(c3ccccc3C(F)(F)F)CC2)cc1 ZINC000153625856 886805094 /nfs/dbraw/zinc/80/50/94/886805094.db2.gz AOJYDXCPQAFNOO-LJQANCHMSA-N 1 2 385.389 3.893 20 30 GHEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC=C(c3ccccc3C(F)(F)F)CC2)cc1 ZINC000153625856 886805107 /nfs/dbraw/zinc/80/51/07/886805107.db2.gz AOJYDXCPQAFNOO-LJQANCHMSA-N 1 2 385.389 3.893 20 30 GHEDLO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)o2)cc1 ZINC000173496071 886855531 /nfs/dbraw/zinc/85/55/31/886855531.db2.gz XAGSPDKSOAGILB-GOSISDBHSA-N 1 2 388.427 3.717 20 30 GHEDLO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)o2)cc1 ZINC000173496071 886855541 /nfs/dbraw/zinc/85/55/41/886855541.db2.gz XAGSPDKSOAGILB-GOSISDBHSA-N 1 2 388.427 3.717 20 30 GHEDLO COCCCN[NH+]=CC1=C(N2CCOCC2)/C(=C/c2ccc(Cl)cc2)CC1 ZINC000794539686 887243532 /nfs/dbraw/zinc/24/35/32/887243532.db2.gz LEOMLBNVVFCXDO-UQMHDUMBSA-N 1 2 389.927 3.715 20 30 GHEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000609234104 888093868 /nfs/dbraw/zinc/09/38/68/888093868.db2.gz PORGECZWFYCBRJ-IBGZPJMESA-N 1 2 381.501 3.704 20 30 GHEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000609234104 888093881 /nfs/dbraw/zinc/09/38/81/888093881.db2.gz PORGECZWFYCBRJ-IBGZPJMESA-N 1 2 381.501 3.704 20 30 GHEDLO CCOc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3cccc(C#N)c3O)CC2)cc1 ZINC000866245058 888797553 /nfs/dbraw/zinc/79/75/53/888797553.db2.gz IJLAKMOKKOVAMO-MRXNPFEDSA-N 1 2 393.487 3.618 20 30 GHEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCC[C@H](COc3ccccc3Cl)C2)cc1 ZINC000532825464 889020217 /nfs/dbraw/zinc/02/02/17/889020217.db2.gz QFHYIWAQHGGDCF-OXJNMPFZSA-N 1 2 383.879 3.529 20 30 GHEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCC[C@H](COc3ccccc3Cl)C2)cc1 ZINC000532825464 889020228 /nfs/dbraw/zinc/02/02/28/889020228.db2.gz QFHYIWAQHGGDCF-OXJNMPFZSA-N 1 2 383.879 3.529 20 30 GHEDLO CC(C)(Cc1ccc(C#N)cc1)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000454467419 889088714 /nfs/dbraw/zinc/08/87/14/889088714.db2.gz TWXPLRIRQGRXDE-UHFFFAOYSA-N 1 2 386.499 3.731 20 30 GHEDLO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000532922429 889336274 /nfs/dbraw/zinc/33/62/74/889336274.db2.gz YTNDEMIIHGEAGQ-JOCHJYFZSA-N 1 2 378.472 3.823 20 30 GHEDLO CN(C)c1cc(Cl)cc(Cl)c1C=[NH+]Nc1ccc(S(C)(=O)=O)cc1 ZINC000811638761 889836647 /nfs/dbraw/zinc/83/66/47/889836647.db2.gz ZLBXTQISBQKWEP-UHFFFAOYSA-N 1 2 386.304 3.909 20 30 GHEDLO COc1ccc2c(c1)C[N@@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)CC2 ZINC000125865706 890217901 /nfs/dbraw/zinc/21/79/01/890217901.db2.gz DYYKFKAPCUFGCD-UHFFFAOYSA-N 1 2 377.488 3.617 20 30 GHEDLO COc1ccc2c(c1)C[N@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)CC2 ZINC000125865706 890217911 /nfs/dbraw/zinc/21/79/11/890217911.db2.gz DYYKFKAPCUFGCD-UHFFFAOYSA-N 1 2 377.488 3.617 20 30 GHEDLO C#CCNC(=O)C1CC[NH+](Cn2c3ccccc3n(CCCCC)c2=S)CC1 ZINC000747796265 890778578 /nfs/dbraw/zinc/77/85/78/890778578.db2.gz NMJDEYOZTDLQBV-UHFFFAOYSA-N 1 2 398.576 3.781 20 30 GHEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1ccc(Br)o1 ZINC000127177428 890939920 /nfs/dbraw/zinc/93/99/20/890939920.db2.gz YFIBYZDJIFSLTL-AWEZNQCLSA-N 1 2 390.281 3.809 20 30 GHEDLO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1ccc(Br)o1 ZINC000127177428 890939927 /nfs/dbraw/zinc/93/99/27/890939927.db2.gz YFIBYZDJIFSLTL-AWEZNQCLSA-N 1 2 390.281 3.809 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cc(Cl)c3c(c2)OCCCO3)c1 ZINC000917065683 890940998 /nfs/dbraw/zinc/94/09/98/890940998.db2.gz IIHSKLDTAGWSOX-UHFFFAOYSA-N 1 2 384.863 3.553 20 30 GHEDLO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cc(Cl)c3c(c2)OCCCO3)c1 ZINC000917065683 890941011 /nfs/dbraw/zinc/94/10/11/890941011.db2.gz IIHSKLDTAGWSOX-UHFFFAOYSA-N 1 2 384.863 3.553 20 30 GHEDLO Cc1cc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000123945907 891147448 /nfs/dbraw/zinc/14/74/48/891147448.db2.gz XOUMVSDEPXELMG-AOMKIAJQSA-N 1 2 387.487 3.886 20 30 GHEDLO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000121954759 891965584 /nfs/dbraw/zinc/96/55/84/891965584.db2.gz GNQDVRUDFHOVKA-NRFANRHFSA-N 1 2 383.879 3.596 20 30 GHEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000459390335 891981793 /nfs/dbraw/zinc/98/17/93/891981793.db2.gz AVYUIJULCMWHHQ-UHFFFAOYSA-N 1 2 379.342 3.519 20 30 GHEDLO C=CC[N@H+](CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O)C(C)C ZINC000917481104 892045848 /nfs/dbraw/zinc/04/58/48/892045848.db2.gz AZJBRQPWLKMVNE-QHCPKHFHSA-N 1 2 377.488 3.530 20 30 GHEDLO C=CC[N@@H+](CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O)C(C)C ZINC000917481104 892045862 /nfs/dbraw/zinc/04/58/62/892045862.db2.gz AZJBRQPWLKMVNE-QHCPKHFHSA-N 1 2 377.488 3.530 20 30 GHEDLO CC[N@@H+]1CC[C@@H](NC(=O)c2cscc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000497723034 892267462 /nfs/dbraw/zinc/26/74/62/892267462.db2.gz QCRNGRHXKUBNDW-SJORKVTESA-N 1 2 377.872 3.978 20 30 GHEDLO CC[N@H+]1CC[C@@H](NC(=O)c2cscc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000497723034 892267476 /nfs/dbraw/zinc/26/74/76/892267476.db2.gz QCRNGRHXKUBNDW-SJORKVTESA-N 1 2 377.872 3.978 20 30 GHEDLO O=C(C[NH+]1CCC2(CC1)CC(=O)C=CO2)Nc1ccc(Oc2ccccc2)cc1 ZINC000933649277 893115325 /nfs/dbraw/zinc/11/53/25/893115325.db2.gz BXJNCWTYPLLREG-UHFFFAOYSA-N 1 2 392.455 3.755 20 30 GHEDLO Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000562919739 893155140 /nfs/dbraw/zinc/15/51/40/893155140.db2.gz VBTSKSPPQRIPPN-IBGZPJMESA-N 1 2 388.446 3.998 20 30 GHEDLO Nc1ccc2c(c1)C(=[NH+]Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)CCC2 ZINC000814800876 893187219 /nfs/dbraw/zinc/18/72/19/893187219.db2.gz QGLGNCDCVICDEI-UHFFFAOYSA-N 1 2 383.395 3.715 20 30 GHEDLO COc1ccc(Br)c(CN[NH+]=C(C)c2cc(F)c(N)c(F)c2)c1 ZINC000814911682 893290282 /nfs/dbraw/zinc/29/02/82/893290282.db2.gz BKFMZNPCAKOTIU-UHFFFAOYSA-N 1 2 384.224 3.832 20 30 GHEDLO CC[C@H]1C[N@H+](Cc2cc(C#N)cnc2Cl)CC[C@H]1NC(=O)OC(C)(C)C ZINC000876762330 893317617 /nfs/dbraw/zinc/31/76/17/893317617.db2.gz ABVPABMRSFUQKJ-GOEBONIOSA-N 1 2 378.904 3.732 20 30 GHEDLO CC[C@H]1C[N@@H+](Cc2cc(C#N)cnc2Cl)CC[C@H]1NC(=O)OC(C)(C)C ZINC000876762330 893317637 /nfs/dbraw/zinc/31/76/37/893317637.db2.gz ABVPABMRSFUQKJ-GOEBONIOSA-N 1 2 378.904 3.732 20 30 GHEDLO Cc1ccccc1[C@@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCO1 ZINC000126316778 893453624 /nfs/dbraw/zinc/45/36/24/893453624.db2.gz LKRMYFQTZBBMME-KNQAVFIVSA-N 1 2 398.466 3.606 20 30 GHEDLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCO1 ZINC000126316778 893453632 /nfs/dbraw/zinc/45/36/32/893453632.db2.gz LKRMYFQTZBBMME-KNQAVFIVSA-N 1 2 398.466 3.606 20 30 GHEDLO C[C@@H]([NH2+]Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)c1c(F)cccc1F ZINC000774867061 913834778 /nfs/dbraw/zinc/83/47/78/913834778.db2.gz QXULTRDUQZXKIX-OCCSQVGLSA-N 1 2 378.382 3.853 20 30 GHEDLO C[C@@H](c1cccc(NC(=O)N(C)CCc2cccc(C#N)c2)c1)[NH+]1CCOCC1 ZINC000878627506 894457277 /nfs/dbraw/zinc/45/72/77/894457277.db2.gz PRULXZMNKXYWCA-SFHVURJKSA-N 1 2 392.503 3.658 20 30 GHEDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)OC(C(F)(F)F)C(F)(F)F ZINC000816221716 894622377 /nfs/dbraw/zinc/62/23/77/894622377.db2.gz BDFWEWSDGNFGTO-UHFFFAOYSA-N 1 2 376.203 3.659 20 30 GHEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)/C(=C/c3ccccc3)C(F)(F)F)CC2)cc1 ZINC001135509217 894736991 /nfs/dbraw/zinc/73/69/91/894736991.db2.gz MYUDVADAVRZZLZ-ZHZULCJRSA-N 1 2 399.416 3.848 20 30 GHEDLO COCc1ccccc1/C=C(/C)C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000816569324 894950419 /nfs/dbraw/zinc/95/04/19/894950419.db2.gz HVLPFHMDFWZMFS-XFPPEQMRSA-N 1 2 385.508 3.585 20 30 GHEDLO N#CC[C@@H](CC(=O)OCc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000817187116 895379365 /nfs/dbraw/zinc/37/93/65/895379365.db2.gz JHMUPBACILJPIP-QFIPXVFZSA-N 1 2 378.472 3.650 20 30 GHEDLO N#Cc1ccc(CNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)s1 ZINC000565475218 895661733 /nfs/dbraw/zinc/66/17/33/895661733.db2.gz YPSICYUVUCJDEO-MOPGFXCFSA-N 1 2 377.473 3.544 20 30 GHEDLO N#Cc1cc(N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000565799320 895888961 /nfs/dbraw/zinc/88/89/61/895888961.db2.gz ATSJIKMVWAVUGN-WKILWMFISA-N 1 2 388.431 3.667 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000565841603 895924140 /nfs/dbraw/zinc/92/41/40/895924140.db2.gz GIYDBZDLPXYXHJ-GOSISDBHSA-N 1 2 390.487 3.515 20 30 GHEDLO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCC=C(c2ccccn2)C1 ZINC000565841603 895924152 /nfs/dbraw/zinc/92/41/52/895924152.db2.gz GIYDBZDLPXYXHJ-GOSISDBHSA-N 1 2 390.487 3.515 20 30 GHEDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCc3ccc(CC#N)cc3)c2C1 ZINC000569121565 898353320 /nfs/dbraw/zinc/35/33/20/898353320.db2.gz AXHUQFXGUFNABK-UHFFFAOYSA-N 1 2 384.483 3.609 20 30 GHEDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCc3ccc(CC#N)cc3)c2C1 ZINC000569121565 898353332 /nfs/dbraw/zinc/35/33/32/898353332.db2.gz AXHUQFXGUFNABK-UHFFFAOYSA-N 1 2 384.483 3.609 20 30 GHEDLO C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000569419094 898641047 /nfs/dbraw/zinc/64/10/47/898641047.db2.gz AKNJWPPFMPVEGF-FXAWDEMLSA-N 1 2 380.492 3.989 20 30 GHEDLO N#Cc1ccccc1OCc1cccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000114683795 899105527 /nfs/dbraw/zinc/10/55/27/899105527.db2.gz BXYDZRURQZRFKN-UHFFFAOYSA-N 1 2 386.455 3.811 20 30 GHEDLO N#Cc1cc(Oc2ccc(NC(=O)NCCCNc3cccc[nH+]3)cc2)ccn1 ZINC000571250264 899803795 /nfs/dbraw/zinc/80/37/95/899803795.db2.gz VZLLCCDNOYVGMI-UHFFFAOYSA-N 1 2 388.431 3.764 20 30 GHEDLO COC(=O)C1(C#N)CC[NH+](Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000824871743 899878426 /nfs/dbraw/zinc/87/84/26/899878426.db2.gz KJMAHYPLVNGPFQ-UHFFFAOYSA-N 1 2 375.881 3.742 20 30 GHEDLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)Cc2cccc(OCC#N)c2)CC1 ZINC000134329564 899963971 /nfs/dbraw/zinc/96/39/71/899963971.db2.gz HLQYBISOUYIOKM-KRWDZBQOSA-N 1 2 397.906 3.690 20 30 GHEDLO Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCCOc3ccccc3Cl)c2)n1 ZINC000303187019 914409448 /nfs/dbraw/zinc/40/94/48/914409448.db2.gz YIPSCVYOVKDTCI-UHFFFAOYSA-N 1 2 398.894 3.918 20 30 GHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1=S ZINC000884481029 900124310 /nfs/dbraw/zinc/12/43/10/900124310.db2.gz FGOPHVUULCNWAR-MSOLQXFVSA-N 1 2 385.537 3.511 20 30 GHEDLO C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1=S ZINC000884481029 900124314 /nfs/dbraw/zinc/12/43/14/900124314.db2.gz FGOPHVUULCNWAR-MSOLQXFVSA-N 1 2 385.537 3.511 20 30 GHEDLO COc1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)cc1C(F)(F)F ZINC001143628379 900243944 /nfs/dbraw/zinc/24/39/44/900243944.db2.gz IFWHVPHPXRTUSD-UHFFFAOYSA-N 1 2 375.394 3.908 20 30 GHEDLO C=CCn1c(CC(C)C)nnc1N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000573765294 900622929 /nfs/dbraw/zinc/62/29/29/900622929.db2.gz XWFCZUUBKMTYKB-UHFFFAOYSA-N 1 2 382.556 3.801 20 30 GHEDLO C[C@@H](c1nnc(Sc2cncc(C#N)n2)n1-c1ccccc1)[NH+]1CCCCC1 ZINC000574677145 900965668 /nfs/dbraw/zinc/96/56/68/900965668.db2.gz HBDLORNEKYOWGR-HNNXBMFYSA-N 1 2 391.504 3.627 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000126764141 902365068 /nfs/dbraw/zinc/36/50/68/902365068.db2.gz HUIRIAFTAJECTF-YLJYHZDGSA-N 1 2 395.528 3.778 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000126764141 902365079 /nfs/dbraw/zinc/36/50/79/902365079.db2.gz HUIRIAFTAJECTF-YLJYHZDGSA-N 1 2 395.528 3.778 20 30 GHEDLO Cn1cc(C[N@H+](C)CC(=O)Nc2ccccc2Cl)c(-c2ccc(C#N)cc2)n1 ZINC000778993539 902637026 /nfs/dbraw/zinc/63/70/26/902637026.db2.gz SZOATKZDLYYUKK-UHFFFAOYSA-N 1 2 393.878 3.683 20 30 GHEDLO Cn1cc(C[N@@H+](C)CC(=O)Nc2ccccc2Cl)c(-c2ccc(C#N)cc2)n1 ZINC000778993539 902637032 /nfs/dbraw/zinc/63/70/32/902637032.db2.gz SZOATKZDLYYUKK-UHFFFAOYSA-N 1 2 393.878 3.683 20 30 GHEDLO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCn2c(COc3cccnc3)cnc2[C@H]1C ZINC001171215959 902720772 /nfs/dbraw/zinc/72/07/72/902720772.db2.gz FEZRYKFBNWXRCC-QZTJIDSGSA-N 1 2 387.487 3.737 20 30 GHEDLO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCn2c(COc3cccnc3)cnc2[C@H]1C ZINC001171215959 902720779 /nfs/dbraw/zinc/72/07/79/902720779.db2.gz FEZRYKFBNWXRCC-QZTJIDSGSA-N 1 2 387.487 3.737 20 30 GHEDLO C[C@H](Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000846890432 903290557 /nfs/dbraw/zinc/29/05/57/903290557.db2.gz SMUWTKQQYCVVDW-GOSISDBHSA-N 1 2 390.531 3.588 20 30 GHEDLO N#Cc1ccc(C2CCN(C(=O)Cc3c[nH+]cn3Cc3ccccc3)CC2)cc1 ZINC000887702135 903518426 /nfs/dbraw/zinc/51/84/26/903518426.db2.gz ZLURMZUBUZJYPT-UHFFFAOYSA-N 1 2 384.483 3.752 20 30 GHEDLO Cc1sc2nc(C[NH+]3CCCC3)nc(SCc3ncc(C#N)cn3)c2c1C ZINC000578626123 904014763 /nfs/dbraw/zinc/01/47/63/904014763.db2.gz ZGYOESRREIQOAW-UHFFFAOYSA-N 1 2 396.545 3.858 20 30 GHEDLO CC[C@H](C#N)[NH2+]C1CCC(C(=O)OC)(c2ccc(Br)cc2)CC1 ZINC001172144265 905349786 /nfs/dbraw/zinc/34/97/86/905349786.db2.gz NQIDNLNYVGHIDF-KLHKWILBSA-N 1 2 379.298 3.694 20 30 GHEDLO C=CCN(CCc1ccco1)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000779359630 906405169 /nfs/dbraw/zinc/40/51/69/906405169.db2.gz IGFHUAJTPLLVLM-UHFFFAOYSA-N 1 2 396.535 3.755 20 30 GHEDLO C=C(C)COc1cc(CNc2ccc[nH+]c2N2CCC(O)CC2)ccc1OC ZINC000180298752 906742413 /nfs/dbraw/zinc/74/24/13/906742413.db2.gz CIYCJAJXVHECPJ-UHFFFAOYSA-N 1 2 383.492 3.618 20 30 GHEDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000366069675 921300909 /nfs/dbraw/zinc/30/09/09/921300909.db2.gz XRSIFCQLZTXFBG-BEFAXECRSA-N 1 2 397.548 3.898 20 30 GHEDLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000366069675 921300912 /nfs/dbraw/zinc/30/09/12/921300912.db2.gz XRSIFCQLZTXFBG-BEFAXECRSA-N 1 2 397.548 3.898 20 30 GHEDLO N#Cc1ccc(C[N@@H+](CCO)Cc2cc(Br)ccc2F)cc1F ZINC000191990640 907349353 /nfs/dbraw/zinc/34/93/53/907349353.db2.gz NVCZGNWNACJFSZ-UHFFFAOYSA-N 1 2 381.220 3.593 20 30 GHEDLO N#Cc1ccc(C[N@H+](CCO)Cc2cc(Br)ccc2F)cc1F ZINC000191990640 907349354 /nfs/dbraw/zinc/34/93/54/907349354.db2.gz NVCZGNWNACJFSZ-UHFFFAOYSA-N 1 2 381.220 3.593 20 30 GHEDLO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)s1 ZINC000185021978 907699688 /nfs/dbraw/zinc/69/96/88/907699688.db2.gz JZFILXSCMYWMTD-CQSZACIVSA-N 1 2 397.504 3.672 20 30 GHEDLO C[C@H](C#N)OCCSc1nnc([C@H](C)[NH+]2CCCCC2)n1-c1ccccc1 ZINC000801655627 921361066 /nfs/dbraw/zinc/36/10/66/921361066.db2.gz FZDGUCYEGPKTSQ-SJORKVTESA-N 1 2 385.537 3.835 20 30 GHEDLO N#Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccco2)c(OC(F)(F)F)c1 ZINC001177621861 908674715 /nfs/dbraw/zinc/67/47/15/908674715.db2.gz HNKUMWADGXUAMN-HNNXBMFYSA-N 1 2 379.338 3.653 20 30 GHEDLO N#Cc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccco2)c(OC(F)(F)F)c1 ZINC001177621861 908674717 /nfs/dbraw/zinc/67/47/17/908674717.db2.gz HNKUMWADGXUAMN-HNNXBMFYSA-N 1 2 379.338 3.653 20 30 GHEDLO CC[C@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1nc(C(F)(F)F)cs1 ZINC000266734362 909280374 /nfs/dbraw/zinc/28/03/74/909280374.db2.gz WPPNYSVKJPVKRZ-KBPBESRZSA-N 1 2 394.422 3.880 20 30 GHEDLO Cc1sc(NC(=O)C[NH+]2CCC([C@H](O)c3ccccc3)CC2)c(C#N)c1C ZINC000267061008 909379033 /nfs/dbraw/zinc/37/90/33/909379033.db2.gz MHOPHZVDHZMDCR-HXUWFJFHSA-N 1 2 383.517 3.621 20 30 GHEDLO CC[NH+](CC)[C@H](C(=O)Nc1cc(C#N)c(C#N)cc1N)c1ccccc1Cl ZINC001182221582 911313232 /nfs/dbraw/zinc/31/32/32/911313232.db2.gz RJJLLNNWPOCGHD-IBGZPJMESA-N 1 2 381.867 3.687 20 30 GHEDLO N#CN=C(NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1)c1ccncc1 ZINC001182245943 911332573 /nfs/dbraw/zinc/33/25/73/911332573.db2.gz UOGMZQSSJZXIQU-LJQANCHMSA-N 1 2 395.894 3.696 20 30 GHEDLO C=CC[NH+]1CCN(C(=O)[C@H](C)Oc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC001182927966 912161887 /nfs/dbraw/zinc/16/18/87/912161887.db2.gz WCFDVSLKXVIZQV-NSHDSACASA-N 1 2 377.699 3.744 20 30 GHEDLO Cc1cc(C#N)c(F)cc1NC(=O)[C@H]1C[C@]2(C)COc3ccccc3[C@@H]2[N@@H+]1C ZINC001187631171 915399432 /nfs/dbraw/zinc/39/94/32/915399432.db2.gz IJQALLWYQMIARQ-KAGYGMCKSA-N 1 2 379.435 3.788 20 30 GHEDLO Cc1cc(C#N)c(F)cc1NC(=O)[C@H]1C[C@]2(C)COc3ccccc3[C@@H]2[N@H+]1C ZINC001187631171 915399448 /nfs/dbraw/zinc/39/94/48/915399448.db2.gz IJQALLWYQMIARQ-KAGYGMCKSA-N 1 2 379.435 3.788 20 30 GHEDLO COc1ccc(C#N)c(C(=O)NC2C[NH+](C(c3ccccc3)c3ccccc3)C2)c1 ZINC001189096713 916401461 /nfs/dbraw/zinc/40/14/61/916401461.db2.gz QFBHONQTGFRFDG-UHFFFAOYSA-N 1 2 397.478 3.770 20 30 GHEDLO C#CC[N@@H+](CC(=O)c1c(C)[nH]c(C(=O)OCC)c1C)[C@H]1CCc2ccccc21 ZINC001190529921 917386193 /nfs/dbraw/zinc/38/61/93/917386193.db2.gz XZQYMZRCWPWIFZ-IBGZPJMESA-N 1 2 378.472 3.614 20 30 GHEDLO C#CC[N@H+](CC(=O)c1c(C)[nH]c(C(=O)OCC)c1C)[C@H]1CCc2ccccc21 ZINC001190529921 917386202 /nfs/dbraw/zinc/38/62/02/917386202.db2.gz XZQYMZRCWPWIFZ-IBGZPJMESA-N 1 2 378.472 3.614 20 30 GHEDLO CCN(C(=O)c1cc(C#N)cs1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000363366068 918154122 /nfs/dbraw/zinc/15/41/22/918154122.db2.gz XPISPXWODUAZGA-UHFFFAOYSA-N 1 2 397.548 3.973 20 30 GHEDLO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000363677307 918656129 /nfs/dbraw/zinc/65/61/29/918656129.db2.gz HLMRRLFNJNNNNH-OAHLLOKOSA-N 1 2 383.521 3.622 20 30 GHEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000367297032 922021687 /nfs/dbraw/zinc/02/16/87/922021687.db2.gz VVVZWRJSEXOVBO-UHFFFAOYSA-N 1 2 388.496 3.902 20 30 GHEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000367297032 922021698 /nfs/dbraw/zinc/02/16/98/922021698.db2.gz VVVZWRJSEXOVBO-UHFFFAOYSA-N 1 2 388.496 3.902 20 30 GHEDLO C#C[C@H](C)Oc1ccc(COC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)cc1 ZINC000802809148 922425593 /nfs/dbraw/zinc/42/55/93/922425593.db2.gz BOGKZIZZSCZIAN-ZDUSSCGKSA-N 1 2 384.382 3.767 20 30 GHEDLO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCn3c[nH+]cc3C2)cc1 ZINC000368116345 922484054 /nfs/dbraw/zinc/48/40/54/922484054.db2.gz VIUHBZOEBMHYRV-UHFFFAOYSA-N 1 2 389.415 3.603 20 30 GHEDLO N#Cc1csc(C[NH2+][C@@H](c2ccc(Br)cc2)[C@H]2CCCO2)n1 ZINC000903263528 922890026 /nfs/dbraw/zinc/89/00/26/922890026.db2.gz NPDUZYOYGBGUKG-ZBFHGGJFSA-N 1 2 378.295 3.787 20 30 GHEDLO CCC[C@H](NC(=O)[C@@H](C)[NH+]1CCC(C#N)(c2ccccn2)CC1)c1ccccc1 ZINC000369205062 923203967 /nfs/dbraw/zinc/20/39/67/923203967.db2.gz IHMIBGGYPAGDPP-CTNGQTDRSA-N 1 2 390.531 3.985 20 30 GHEDLO CCC[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(C#N)(c2ccccn2)CC1)c1ccccc1 ZINC000369205065 923204128 /nfs/dbraw/zinc/20/41/28/923204128.db2.gz IHMIBGGYPAGDPP-TZIWHRDSSA-N 1 2 390.531 3.985 20 30 GHEDLO CC(=[NH+]Nc1ccc(Br)nc1)c1ccc(N2CCCC2)cc1O ZINC000748252502 923532251 /nfs/dbraw/zinc/53/22/51/923532251.db2.gz SQLJQAQJWYMZLN-UHFFFAOYSA-N 1 2 375.270 3.986 20 30 GHEDLO Cc1ccc([C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C2CC2)cc1 ZINC000009937167 923623921 /nfs/dbraw/zinc/62/39/21/923623921.db2.gz UCQQQCBGCFJXDD-HSZRJFAPSA-N 1 2 388.515 3.845 20 30 GHEDLO N#Cc1ccccc1OCc1cccc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000371179814 924462658 /nfs/dbraw/zinc/46/26/58/924462658.db2.gz FNHYNSTUVXNPAJ-UHFFFAOYSA-N 1 2 386.455 3.880 20 30 GHEDLO N#Cc1ccccc1OCc1cccc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000371179814 924462670 /nfs/dbraw/zinc/46/26/70/924462670.db2.gz FNHYNSTUVXNPAJ-UHFFFAOYSA-N 1 2 386.455 3.880 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2cc(OC)ccc2Br)C1=O ZINC001276059727 925033026 /nfs/dbraw/zinc/03/30/26/925033026.db2.gz NMPNMXPCWVDXBW-LJQANCHMSA-N 1 2 393.325 3.601 20 30 GHEDLO C=C(C)CN1CC[C@]2(CCC[N@@H+]2Cc2cc(OC)ccc2Br)C1=O ZINC001276059727 925033035 /nfs/dbraw/zinc/03/30/35/925033035.db2.gz NMPNMXPCWVDXBW-LJQANCHMSA-N 1 2 393.325 3.601 20 30 GHEDLO C=CCN1CC[C@@H]([N@H+](Cc2cc(Br)ccc2OCC)C2CC2)C1=O ZINC000410352276 925562132 /nfs/dbraw/zinc/56/21/32/925562132.db2.gz ZPAFCDRIYBTMGV-QGZVFWFLSA-N 1 2 393.325 3.599 20 30 GHEDLO C=CCN1CC[C@@H]([N@@H+](Cc2cc(Br)ccc2OCC)C2CC2)C1=O ZINC000410352276 925562139 /nfs/dbraw/zinc/56/21/39/925562139.db2.gz ZPAFCDRIYBTMGV-QGZVFWFLSA-N 1 2 393.325 3.599 20 30 GHEDLO C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)Cc1cn2c([nH+]1)CCCC2 ZINC000372990167 925803158 /nfs/dbraw/zinc/80/31/58/925803158.db2.gz NAKLUAMZOHZZHM-MRXNPFEDSA-N 1 2 397.548 3.542 20 30 GHEDLO Cc1ccc(Nc2nc(N)nc(C[NH2+][C@@H](CCCC#N)c3ccccc3)n2)cc1 ZINC000411753568 926725903 /nfs/dbraw/zinc/72/59/03/926725903.db2.gz FYEITMBGJBWURF-IBGZPJMESA-N 1 2 387.491 3.861 20 30 GHEDLO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(OCC2CC2)CC1 ZINC000374096405 926754254 /nfs/dbraw/zinc/75/42/54/926754254.db2.gz XSCDPXPRFRBLQI-INIZCTEOSA-N 1 2 387.549 3.910 20 30 GHEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000374356607 927048691 /nfs/dbraw/zinc/04/86/91/927048691.db2.gz HQKPQKYGIBMPAF-LJQANCHMSA-N 1 2 386.455 3.500 20 30 GHEDLO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H](CCC(=O)OC(C)(C)C)C2)c(C#N)c1C ZINC000412060582 927058269 /nfs/dbraw/zinc/05/82/69/927058269.db2.gz GGEOGSLTUDMEDH-MRXNPFEDSA-N 1 2 389.496 3.541 20 30 GHEDLO Cc1oc(NC(=O)C[N@H+]2CCC[C@H](CCC(=O)OC(C)(C)C)C2)c(C#N)c1C ZINC000412060582 927058282 /nfs/dbraw/zinc/05/82/82/927058282.db2.gz GGEOGSLTUDMEDH-MRXNPFEDSA-N 1 2 389.496 3.541 20 30 GHEDLO C=CCc1cc(CNC(=O)Nc2ccc(C)[nH+]c2N(C)C)cc(OC)c1OC ZINC000750402297 927606037 /nfs/dbraw/zinc/60/60/37/927606037.db2.gz JCVVCYCBIWWIHD-UHFFFAOYSA-N 1 2 384.480 3.523 20 30 GHEDLO CCOc1ccc(CN(CCCn2cc[nH+]c2)c2ncc(C#N)cc2F)cc1 ZINC000413192950 928308762 /nfs/dbraw/zinc/30/87/62/928308762.db2.gz KCIOPMLGRYBNAY-UHFFFAOYSA-N 1 2 379.439 3.784 20 30 GHEDLO C[C@@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1cn(-c2ccccc2)nn1 ZINC000544519215 929253167 /nfs/dbraw/zinc/25/31/67/929253167.db2.gz KKBBXRYGBFPFND-OAHLLOKOSA-N 1 2 386.377 3.868 20 30 GHEDLO COc1cc(C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)c(-c2ccccc2)cc1OC ZINC000753935018 929600608 /nfs/dbraw/zinc/60/06/08/929600608.db2.gz MDFQBXGQUYFIJI-KDURUIRLSA-N 1 2 378.476 3.565 20 30 GHEDLO N#CCCCN1C(=O)CCc2cc(NC3CCN(c4cccc[nH+]4)CC3)ccc21 ZINC000469233512 929717449 /nfs/dbraw/zinc/71/74/49/929717449.db2.gz LOOXBKBMGODDKD-UHFFFAOYSA-N 1 2 389.503 3.745 20 30 GHEDLO C#CC[C@H](NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)c1ccccc1 ZINC000757884374 929838256 /nfs/dbraw/zinc/83/82/56/929838256.db2.gz ZCFVISQIPZAXIB-AVRDEDQJSA-N 1 2 377.488 3.966 20 30 GHEDLO Cc1ccc([C@@]2(C)CC(=O)N(C[N@H+](Cc3ccc(C#N)cc3)C(C)C)C2=O)cc1 ZINC000758303442 930005630 /nfs/dbraw/zinc/00/56/30/930005630.db2.gz AYQSOXHKKOOWOA-XMMPIXPASA-N 1 2 389.499 3.751 20 30 GHEDLO Cc1ccc([C@@]2(C)CC(=O)N(C[N@@H+](Cc3ccc(C#N)cc3)C(C)C)C2=O)cc1 ZINC000758303442 930005636 /nfs/dbraw/zinc/00/56/36/930005636.db2.gz AYQSOXHKKOOWOA-XMMPIXPASA-N 1 2 389.499 3.751 20 30 GHEDLO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2nc3ccccc3c(=O)n2CC#N)cc1 ZINC000782015448 931060727 /nfs/dbraw/zinc/06/07/27/931060727.db2.gz UWEIBSODVRMGSA-NRFANRHFSA-N 1 2 388.471 3.656 20 30 GHEDLO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2nc3ccccc3c(=O)n2CC#N)cc1 ZINC000782015448 931060731 /nfs/dbraw/zinc/06/07/31/931060731.db2.gz UWEIBSODVRMGSA-NRFANRHFSA-N 1 2 388.471 3.656 20 30 GHEDLO N#Cc1ccc(COC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(Cl)c1 ZINC000784228657 931825692 /nfs/dbraw/zinc/82/56/92/931825692.db2.gz NQTGLDFYANXUBN-LJQANCHMSA-N 1 2 384.863 3.546 20 30 GHEDLO N#Cc1ccc(COC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(Cl)c1 ZINC000784228657 931825697 /nfs/dbraw/zinc/82/56/97/931825697.db2.gz NQTGLDFYANXUBN-LJQANCHMSA-N 1 2 384.863 3.546 20 30 GHEDLO C=CCOc1ccc(CNC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)cc1 ZINC000558335696 931948639 /nfs/dbraw/zinc/94/86/39/931948639.db2.gz QGVMGGKBULQCAO-GOSISDBHSA-N 1 2 395.503 3.966 20 30 GHEDLO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@H](C)c1noc(-c2ccccc2)n1 ZINC000558409295 931984991 /nfs/dbraw/zinc/98/49/91/931984991.db2.gz RHQOARGIERWVPV-LPHOPBHVSA-N 1 2 379.460 3.556 20 30 GHEDLO CC[C@H]([NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)c1cccc(C#N)c1O ZINC000926420301 932172933 /nfs/dbraw/zinc/17/29/33/932172933.db2.gz CUPDXWZTCCLANX-ZBFHGGJFSA-N 1 2 383.414 3.638 20 30 GHEDLO COc1ccc2cc(C[NH2+][C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)ccc2c1 ZINC000798274585 932587198 /nfs/dbraw/zinc/58/71/98/932587198.db2.gz GXRZTXUQTJCBNJ-UYAOXDASSA-N 1 2 381.476 3.697 20 30 GHEDLO Cc1nc(N2CCOCC2)sc1C=[NH+]Nc1ccnc2cc(Cl)ccc21 ZINC001115812907 933209700 /nfs/dbraw/zinc/20/97/00/933209700.db2.gz FUZVZISWLQCRKY-UHFFFAOYSA-N 1 2 387.896 3.936 20 30 GHEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000561866660 934518353 /nfs/dbraw/zinc/51/83/53/934518353.db2.gz ZDUDGJAKJNHBGQ-OAHLLOKOSA-N 1 2 396.292 3.743 20 30 GHEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000561866660 934518362 /nfs/dbraw/zinc/51/83/62/934518362.db2.gz ZDUDGJAKJNHBGQ-OAHLLOKOSA-N 1 2 396.292 3.743 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@H]1c1ccc(COC)o1 ZINC001121509027 934678702 /nfs/dbraw/zinc/67/87/02/934678702.db2.gz BNFOOUAZHLNSRX-MSOLQXFVSA-N 1 2 385.512 3.702 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@H]1c1ccc(COC)o1 ZINC001121509027 934678705 /nfs/dbraw/zinc/67/87/05/934678705.db2.gz BNFOOUAZHLNSRX-MSOLQXFVSA-N 1 2 385.512 3.702 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC(C)(C#N)CC1 ZINC001121580491 934704910 /nfs/dbraw/zinc/70/49/10/934704910.db2.gz AYGOBQIAMRZWNK-SFHVURJKSA-N 1 2 378.524 3.787 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC(C)(C#N)CC1 ZINC001121580491 934704915 /nfs/dbraw/zinc/70/49/15/934704915.db2.gz AYGOBQIAMRZWNK-SFHVURJKSA-N 1 2 378.524 3.787 20 30 GHEDLO CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(C[NH+]3CCCCC3)o2)cc1 ZINC001122542627 934894862 /nfs/dbraw/zinc/89/48/62/934894862.db2.gz RALRVNXXOBJLGB-IBGZPJMESA-N 1 2 379.460 3.789 20 30 GHEDLO CN(C[C@H]1CC=CCC1)c1nnc(C2CC[NH+](CCC#N)CC2)n1CC1CC1 ZINC001123729406 935270102 /nfs/dbraw/zinc/27/01/02/935270102.db2.gz PTNSWYRFAJNGLA-SFHVURJKSA-N 1 2 382.556 3.574 20 30 GHEDLO CCCCCCCCCNC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001221029760 1032243092 /nfs/dbraw/zinc/24/30/92/1032243092.db2.gz NVWASXYBWOLRQE-SFHVURJKSA-N 1 2 398.592 3.587 20 30 GHEDLO CCCCCCCCCNC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001221029760 1032243105 /nfs/dbraw/zinc/24/31/05/1032243105.db2.gz NVWASXYBWOLRQE-SFHVURJKSA-N 1 2 398.592 3.587 20 30 GHEDLO C=C(C)Cn1c(-c2sccc2C)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000560997139 1017770235 /nfs/dbraw/zinc/77/02/35/1017770235.db2.gz CXJXGRMZAJSHIT-UHFFFAOYSA-N 1 2 398.536 3.510 20 30 GHEDLO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000569419097 1019485998 /nfs/dbraw/zinc/48/59/98/1019485998.db2.gz AKNJWPPFMPVEGF-YLJYHZDGSA-N 1 2 380.492 3.989 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1c(C)nn(-c2ccccc2)c1C ZINC001204449914 1032892526 /nfs/dbraw/zinc/89/25/26/1032892526.db2.gz YDNVCDSDMCPPPU-QFIPXVFZSA-N 1 2 391.519 3.525 20 30 GHEDLO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1c(C)nn(-c2ccccc2)c1C ZINC001204449914 1032892541 /nfs/dbraw/zinc/89/25/41/1032892541.db2.gz YDNVCDSDMCPPPU-QFIPXVFZSA-N 1 2 391.519 3.525 20 30 GHEDLO CC(C)c1ccc(-c2cc(C(F)(F)N3CC[NH2+]C[C@@H]3C#N)c(Cl)nn2)cc1 ZINC001156332281 1032989483 /nfs/dbraw/zinc/98/94/83/1032989483.db2.gz HKXOKDDKOUBDPK-HNNXBMFYSA-N 1 2 391.853 3.767 20 30 GHEDLO C[N@H+](Cc1cn(C(=O)OC(C)(C)C)c2ccc(C#N)cc12)Cc1cnccn1 ZINC001140439974 1021713609 /nfs/dbraw/zinc/71/36/09/1021713609.db2.gz SQZMAYQAXWKSDB-UHFFFAOYSA-N 1 2 377.448 3.718 20 30 GHEDLO C[N@@H+](Cc1cn(C(=O)OC(C)(C)C)c2ccc(C#N)cc12)Cc1cnccn1 ZINC001140439974 1021713628 /nfs/dbraw/zinc/71/36/28/1021713628.db2.gz SQZMAYQAXWKSDB-UHFFFAOYSA-N 1 2 377.448 3.718 20 30 GHEDLO Cn1ncc2c1C[N@H+](Cc1cc(C#N)ccc1Cl)C[C@H]2COc1cccnc1 ZINC001140599237 1022042887 /nfs/dbraw/zinc/04/28/87/1022042887.db2.gz UJZIYPKYVISVSV-KRWDZBQOSA-N 1 2 393.878 3.519 20 30 GHEDLO Cn1ncc2c1C[N@@H+](Cc1cc(C#N)ccc1Cl)C[C@H]2COc1cccnc1 ZINC001140599237 1022042900 /nfs/dbraw/zinc/04/29/00/1022042900.db2.gz UJZIYPKYVISVSV-KRWDZBQOSA-N 1 2 393.878 3.519 20 30 GHEDLO CC(C)(C)OC(=O)NCc1ccc(C[NH+]2CC(Oc3ccccc3C#N)C2)cc1 ZINC001140599408 1022044402 /nfs/dbraw/zinc/04/44/02/1022044402.db2.gz BAKMHVZQAXQDCE-UHFFFAOYSA-N 1 2 393.487 3.846 20 30 GHEDLO N#Cc1cccc(C[N@H+]2Cc3cncn3C[C@@H](COc3ccccn3)C2)c1Cl ZINC001140811391 1022600693 /nfs/dbraw/zinc/60/06/93/1022600693.db2.gz RONKCECYYNHFJY-INIZCTEOSA-N 1 2 393.878 3.514 20 30 GHEDLO N#Cc1cccc(C[N@@H+]2Cc3cncn3C[C@@H](COc3ccccn3)C2)c1Cl ZINC001140811391 1022600699 /nfs/dbraw/zinc/60/06/99/1022600699.db2.gz RONKCECYYNHFJY-INIZCTEOSA-N 1 2 393.878 3.514 20 30 GHEDLO CCN(Cc1cccc(C#N)c1Cl)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001140814881 1022612695 /nfs/dbraw/zinc/61/26/95/1022612695.db2.gz SOGXFRCFXPFIEH-NRFANRHFSA-N 1 2 383.923 3.935 20 30 GHEDLO CCN(Cc1cccc(C#N)c1Cl)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001140814881 1022612700 /nfs/dbraw/zinc/61/27/00/1022612700.db2.gz SOGXFRCFXPFIEH-NRFANRHFSA-N 1 2 383.923 3.935 20 30 GHEDLO CCc1ccc([C@H](COC)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)o1 ZINC000754348154 1022632869 /nfs/dbraw/zinc/63/28/69/1022632869.db2.gz QCQKBSPCIUATEQ-PXNSSMCTSA-N 1 2 383.492 3.763 20 30 GHEDLO C#Cc1ccc(CNC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000836295852 1022835067 /nfs/dbraw/zinc/83/50/67/1022835067.db2.gz FYLSOHJYWDUIJR-HDICACEKSA-N 1 2 377.488 3.599 20 30 GHEDLO C#Cc1ccc(CNC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000836295852 1022835079 /nfs/dbraw/zinc/83/50/79/1022835079.db2.gz FYLSOHJYWDUIJR-HDICACEKSA-N 1 2 377.488 3.599 20 30 GHEDLO C#Cc1cccc(CNC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000836297598 1022837789 /nfs/dbraw/zinc/83/77/89/1022837789.db2.gz KUBDMEGQRZWLBW-ROUUACIJSA-N 1 2 377.488 3.599 20 30 GHEDLO Cc1nc(NCc2cccc(C(=O)OCc3cc(C#N)ccc3F)c2)cc[nH+]1 ZINC000754952277 1022981443 /nfs/dbraw/zinc/98/14/43/1022981443.db2.gz KQTFCTHEIICEMF-UHFFFAOYSA-N 1 2 376.391 3.765 20 30 GHEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000755307882 1023184410 /nfs/dbraw/zinc/18/44/10/1023184410.db2.gz MYUZDGJYMCSGJN-WIYYLYMNSA-N 1 2 390.487 3.505 20 30 GHEDLO N#Cc1c2[nH]c3ccccc3n2c(=O)cc1C[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000755307882 1023184419 /nfs/dbraw/zinc/18/44/19/1023184419.db2.gz MYUZDGJYMCSGJN-WIYYLYMNSA-N 1 2 390.487 3.505 20 30 GHEDLO C#Cc1cccc(CNC(=O)N(CC)CC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000836656086 1023215778 /nfs/dbraw/zinc/21/57/78/1023215778.db2.gz POUPCFWKMMTDKL-UHFFFAOYSA-N 1 2 376.504 3.511 20 30 GHEDLO C[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)ccc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000831193648 1024414672 /nfs/dbraw/zinc/41/46/72/1024414672.db2.gz PHJZNZLCQYGUNU-QZTJIDSGSA-N 1 2 375.806 3.665 20 30 GHEDLO C[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)ccc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000831193648 1024414676 /nfs/dbraw/zinc/41/46/76/1024414676.db2.gz PHJZNZLCQYGUNU-QZTJIDSGSA-N 1 2 375.806 3.665 20 30 GHEDLO N#Cc1ccc(Oc2ccc(C[NH+]3CCN(C(=O)C4CCC4)CC3)cc2)cc1 ZINC001141295825 1024432124 /nfs/dbraw/zinc/43/21/24/1024432124.db2.gz MHZLGKRNFJLDBZ-UHFFFAOYSA-N 1 2 375.472 3.795 20 30 GHEDLO CC(C)(C)OC(=O)Nc1cccnc1C[NH+]1CCN(c2cccc(C#N)c2)CC1 ZINC001138407879 1024788829 /nfs/dbraw/zinc/78/88/29/1024788829.db2.gz JBFSZLNCOBZUQQ-UHFFFAOYSA-N 1 2 393.491 3.622 20 30 GHEDLO Cc1cccc([C@H](CNc2cc(C)c([N+](=O)[O-])cc2C#N)[NH+]2CCOCC2)c1 ZINC001162132256 1025624231 /nfs/dbraw/zinc/62/42/31/1025624231.db2.gz KGZYMJOJJSJXOK-NRFANRHFSA-N 1 2 380.448 3.569 20 30 GHEDLO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC([C@H](O)c2cc(F)ccc2F)CC1 ZINC000839152614 1025651293 /nfs/dbraw/zinc/65/12/93/1025651293.db2.gz SBSMXEJRHLLHAB-FQEVSTJZSA-N 1 2 387.386 3.690 20 30 GHEDLO C=CCOCc1nn(C)c2c1C[N@@H+](Cc1[nH]c(-c3ccccc3)nc1Cl)CC2 ZINC001139282742 1026133868 /nfs/dbraw/zinc/13/38/68/1026133868.db2.gz ZWNRDENCWAXBDL-UHFFFAOYSA-N 1 2 397.910 3.725 20 30 GHEDLO C=CCOCc1nn(C)c2c1C[N@H+](Cc1[nH]c(-c3ccccc3)nc1Cl)CC2 ZINC001139282742 1026133876 /nfs/dbraw/zinc/13/38/76/1026133876.db2.gz ZWNRDENCWAXBDL-UHFFFAOYSA-N 1 2 397.910 3.725 20 30 GHEDLO N#Cc1cc(Cl)nc(C(F)(F)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC001163844858 1026336535 /nfs/dbraw/zinc/33/65/35/1026336535.db2.gz FUTSZTBDTUBGJL-QPJJXVBHSA-N 1 2 388.849 3.987 20 30 GHEDLO N#Cc1cccc2c(C[NH+]3CCN(C(=O)c4ccc(Cl)cc4)CC3)c[nH]c21 ZINC001139707247 1026552476 /nfs/dbraw/zinc/55/24/76/1026552476.db2.gz UHRJKYKONVQUCF-UHFFFAOYSA-N 1 2 378.863 3.651 20 30 GHEDLO C=CCn1cc(C[N@H+]2Cc3ccccc3[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)cn1 ZINC001139767800 1026604360 /nfs/dbraw/zinc/60/43/60/1026604360.db2.gz BNKJKXFAOMZHEC-SFTDATJTSA-N 1 2 394.519 3.788 20 30 GHEDLO C=CCn1cc(C[N@@H+]2Cc3ccccc3[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)cn1 ZINC001139767800 1026604365 /nfs/dbraw/zinc/60/43/65/1026604365.db2.gz BNKJKXFAOMZHEC-SFTDATJTSA-N 1 2 394.519 3.788 20 30 GHEDLO C=CCOC[C@@H]1C[N@H+](Cc2ccccc2C2CC2)Cc2nnn(CC3CC3)c21 ZINC001139880391 1026697550 /nfs/dbraw/zinc/69/75/50/1026697550.db2.gz KALOWWNWAOENGZ-FQEVSTJZSA-N 1 2 378.520 3.868 20 30 GHEDLO C=CCOC[C@@H]1C[N@@H+](Cc2ccccc2C2CC2)Cc2nnn(CC3CC3)c21 ZINC001139880391 1026697558 /nfs/dbraw/zinc/69/75/58/1026697558.db2.gz KALOWWNWAOENGZ-FQEVSTJZSA-N 1 2 378.520 3.868 20 30 GHEDLO CC(C)(C)OC(=O)C1CCN(c2c(F)c[nH+]cc2Nc2cccnc2C#N)CC1 ZINC001210145695 1027357936 /nfs/dbraw/zinc/35/79/36/1027357936.db2.gz RIUSEJQRLWDEKU-UHFFFAOYSA-N 1 2 397.454 3.789 20 30 GHEDLO COc1cc(OC)c(C[NH+]2CCC(C#N)(c3ccccc3F)CC2)c(OC)c1 ZINC001203518689 1027400173 /nfs/dbraw/zinc/40/01/73/1027400173.db2.gz OYDYMYCQOGBIDO-UHFFFAOYSA-N 1 2 384.451 3.909 20 30 GHEDLO C=CCOC[C@@H]1C[N@@H+](Cc2ccc(OC)c(C)c2C)Cc2nnn(CC3CC3)c21 ZINC001203715868 1027549125 /nfs/dbraw/zinc/54/91/25/1027549125.db2.gz BYHABOCXXAGXCZ-FQEVSTJZSA-N 1 2 396.535 3.616 20 30 GHEDLO C=CCOC[C@@H]1C[N@H+](Cc2ccc(OC)c(C)c2C)Cc2nnn(CC3CC3)c21 ZINC001203715868 1027549128 /nfs/dbraw/zinc/54/91/28/1027549128.db2.gz BYHABOCXXAGXCZ-FQEVSTJZSA-N 1 2 396.535 3.616 20 30 GHEDLO CC(C)(C)OC(=O)N1CCN(c2[nH+]cccc2Nc2ccccc2C#N)CC1 ZINC001210736452 1027629593 /nfs/dbraw/zinc/62/95/93/1027629593.db2.gz KJULWSHIPKAAOD-UHFFFAOYSA-N 1 2 379.464 3.754 20 30 GHEDLO C=CCc1cc(C[NH2+][C@H](C)c2ncc(C(=O)OC)s2)cc(OC)c1OC ZINC000840725264 1027763565 /nfs/dbraw/zinc/76/35/65/1027763565.db2.gz FVFHQGDPVJLBFF-GFCCVEGCSA-N 1 2 376.478 3.526 20 30 GHEDLO CC(C)(C)OC(=O)N1CCc2nc(CNc3cc(CC#N)cc[nH+]3)sc2C1 ZINC000840882120 1027920028 /nfs/dbraw/zinc/92/00/28/1027920028.db2.gz MKBBUYMDXUXARP-UHFFFAOYSA-N 1 2 385.493 3.509 20 30 GHEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000841598109 1028758509 /nfs/dbraw/zinc/75/85/09/1028758509.db2.gz LXKFRQWCJBRZCS-NRFANRHFSA-N 1 2 392.503 3.574 20 30 GHEDLO COc1ccc(C[NH+]2CCOCC2)cc1Nc1cc(F)c(F)c(C#N)c1F ZINC001215552001 1029277665 /nfs/dbraw/zinc/27/76/65/1029277665.db2.gz DUNZBBWUFVNJQJ-UHFFFAOYSA-N 1 2 377.366 3.560 20 30 GHEDLO Cc1cc(CNC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)cc(C)[nH+]1 ZINC001216106031 1029525092 /nfs/dbraw/zinc/52/50/92/1029525092.db2.gz FJDXUMQPWHHGOX-UHFFFAOYSA-N 1 2 380.839 3.731 20 30 GHEDLO C[C@H]1[C@H](CNC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143164214 1029876401 /nfs/dbraw/zinc/87/64/01/1029876401.db2.gz BODXKGSYQWJPLR-ZFWWWQNUSA-N 1 2 379.451 3.962 20 30 GHEDLO C[C@H]1[C@H](CNC(=O)OC(C)(C)C)CCC[N@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143164214 1029876410 /nfs/dbraw/zinc/87/64/10/1029876410.db2.gz BODXKGSYQWJPLR-ZFWWWQNUSA-N 1 2 379.451 3.962 20 30 GHEDLO CN1C(=O)[C@H](c2ccccc2)CC12CC[NH+](Cc1c(F)ccc(C#N)c1F)CC2 ZINC001143169862 1029880156 /nfs/dbraw/zinc/88/01/56/1029880156.db2.gz ULFCIZIRDPBQAQ-SFHVURJKSA-N 1 2 395.453 3.817 20 30 GHEDLO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](Cc3c(F)ccc(C#N)c3F)C[C@@H]12 ZINC001143171353 1029881582 /nfs/dbraw/zinc/88/15/82/1029881582.db2.gz XIZNQGWBJRAWPK-GGAORHGYSA-N 1 2 395.453 3.601 20 30 GHEDLO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3c(F)ccc(C#N)c3F)C[C@@H]12 ZINC001143171353 1029881591 /nfs/dbraw/zinc/88/15/91/1029881591.db2.gz XIZNQGWBJRAWPK-GGAORHGYSA-N 1 2 395.453 3.601 20 30 GHEDLO N#Cc1ccc(F)c(-c2noc(-c3cc(-n4cc[nH+]c4)c(F)cc3[N+](=O)[O-])n2)c1 ZINC001216999616 1030069488 /nfs/dbraw/zinc/06/94/88/1030069488.db2.gz FEOJFWOAKRCZEJ-UHFFFAOYSA-N 1 2 394.297 3.647 20 30 GHEDLO COc1cc(O[C@@H]2CC[NH2+]CC2(F)F)ccc1/C=C/C(=O)c1ccc(O)cc1 ZINC001218009159 1030720352 /nfs/dbraw/zinc/72/03/52/1030720352.db2.gz FUPLXDTXSLUPKJ-MVHVFESUSA-N 1 2 389.398 3.673 20 30 GHEDLO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1cc(-c2cc(=O)c3ccc(O)cc3o2)ccc1O ZINC001218457404 1030944534 /nfs/dbraw/zinc/94/45/34/1030944534.db2.gz MQIHFYGQODAWCX-YLJYHZDGSA-N 1 2 393.439 3.947 20 30 GHEDLO N#Cc1cccc(OCCO[C@@H]2CCC[N@@H+](Cc3cnc(Cl)s3)C2)c1 ZINC001224312251 1030964261 /nfs/dbraw/zinc/96/42/61/1030964261.db2.gz OLWKPTRQLMJSJV-MRXNPFEDSA-N 1 2 377.897 3.728 20 30 GHEDLO N#Cc1cccc(OCCO[C@@H]2CCC[N@H+](Cc3cnc(Cl)s3)C2)c1 ZINC001224312251 1030964268 /nfs/dbraw/zinc/96/42/68/1030964268.db2.gz OLWKPTRQLMJSJV-MRXNPFEDSA-N 1 2 377.897 3.728 20 30 GHEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(Cl)cnc1OC(C)C ZINC001276997612 1031126359 /nfs/dbraw/zinc/12/63/59/1031126359.db2.gz YTMMSTUJQWINNR-FQEVSTJZSA-N 1 2 377.916 3.665 20 30 GHEDLO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(Cl)cnc1OC(C)C ZINC001276997612 1031126371 /nfs/dbraw/zinc/12/63/71/1031126371.db2.gz YTMMSTUJQWINNR-FQEVSTJZSA-N 1 2 377.916 3.665 20 30 GHEDLO C[C@@H](Oc1nc(C(C)(C)C)ccc1C#N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001226548993 1032007171 /nfs/dbraw/zinc/00/71/71/1032007171.db2.gz DUOOJXCHRFXOKV-XLIONFOSSA-N 1 2 379.504 3.919 20 30 GHEDLO C[C@@H](Oc1nc(C(C)(C)C)ccc1C#N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001226548993 1032007199 /nfs/dbraw/zinc/00/71/99/1032007199.db2.gz DUOOJXCHRFXOKV-XLIONFOSSA-N 1 2 379.504 3.919 20 30 GHEDLO C=C[C@]1(C)CC[C@@H](Oc2nc(=O)[nH]c(CN3CCCC3=[NH2+])c2Cl)C(C)(C)O1 ZINC001230093611 1033895496 /nfs/dbraw/zinc/89/54/96/1033895496.db2.gz VQWIHRBYYOXUQG-BFUOFWGJSA-N 1 2 394.903 3.690 20 30 GHEDLO C=CCOC(=O)N1CCC2(C[NH+](Cc3cc(-c4ccc(F)cc4)on3)C2)CC1 ZINC001206835731 1034020475 /nfs/dbraw/zinc/02/04/75/1034020475.db2.gz ZZBFPJPSPOUJHK-UHFFFAOYSA-N 1 2 385.439 3.701 20 30 GHEDLO Cn1cc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](c3ccccc3)C2)cc1C#N ZINC001207106916 1034094738 /nfs/dbraw/zinc/09/47/38/1034094738.db2.gz XVZFWPUWJXTYBX-HXUWFJFHSA-N 1 2 380.492 3.691 20 30 GHEDLO Cn1cc(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@@H](c3ccccc3)C2)cc1C#N ZINC001207106916 1034094758 /nfs/dbraw/zinc/09/47/58/1034094758.db2.gz XVZFWPUWJXTYBX-HXUWFJFHSA-N 1 2 380.492 3.691 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cnc(Br)c(C)c1 ZINC001277474171 1034307096 /nfs/dbraw/zinc/30/70/96/1034307096.db2.gz MSJXCGIBUMIFES-LJQANCHMSA-N 1 2 392.341 3.686 20 30 GHEDLO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cnc(Br)c(C)c1 ZINC001277474171 1034307102 /nfs/dbraw/zinc/30/71/02/1034307102.db2.gz MSJXCGIBUMIFES-LJQANCHMSA-N 1 2 392.341 3.686 20 30 GHEDLO COc1ccc(Cn2cc3[nH]c([NH2+]CC#Cc4ccccc4)ccc-3c2=O)cc1 ZINC001159375928 1034569979 /nfs/dbraw/zinc/56/99/79/1034569979.db2.gz NUBNGBOSVHUCIP-UHFFFAOYSA-N 1 2 383.451 3.710 20 30 GHEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(C)c(Br)cc1F ZINC001276558998 1034755835 /nfs/dbraw/zinc/75/58/35/1034755835.db2.gz ZMYCGQASBRGDBE-IAGOWNOFSA-N 1 2 381.289 3.648 20 30 GHEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(C)c(Br)cc1F ZINC001276558998 1034755848 /nfs/dbraw/zinc/75/58/48/1034755848.db2.gz ZMYCGQASBRGDBE-IAGOWNOFSA-N 1 2 381.289 3.648 20 30 GHEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(Br)c(Cl)c1 ZINC001276604616 1035137576 /nfs/dbraw/zinc/13/75/76/1035137576.db2.gz WBXRVAAXIFZDKQ-HZPDHXFCSA-N 1 2 383.717 3.854 20 30 GHEDLO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(Br)c(Cl)c1 ZINC001276604616 1035137584 /nfs/dbraw/zinc/13/75/84/1035137584.db2.gz WBXRVAAXIFZDKQ-HZPDHXFCSA-N 1 2 383.717 3.854 20 30 GHEDLO Cc1cc(NCc2c[nH+]cn2Cc2ccccc2Br)ncc1C#N ZINC001161520277 1035248888 /nfs/dbraw/zinc/24/88/88/1035248888.db2.gz XMEVGNPYFXAQEU-UHFFFAOYSA-N 1 2 382.265 3.881 20 30 GHEDLO N#Cc1cnc(NCc2c[nH+]cn2Cc2ccccc2Br)c(F)c1 ZINC001161521797 1035249428 /nfs/dbraw/zinc/24/94/28/1035249428.db2.gz UWVNRGFIQZPOQB-UHFFFAOYSA-N 1 2 386.228 3.712 20 30 GHEDLO N#Cc1c2ccccc2cnc1-c1ccc(OCC[NH+]2CCOCC2)cc1F ZINC001244136527 1036391961 /nfs/dbraw/zinc/39/19/61/1036391961.db2.gz SJHJVQOEJRIOMD-UHFFFAOYSA-N 1 2 377.419 3.624 20 30 GHEDLO N#Cc1cc(-c2ccc(C[NH+]3CCOCC3)cc2F)ccc1OC1CCOCC1 ZINC001245308004 1036868996 /nfs/dbraw/zinc/86/89/96/1036868996.db2.gz UWSYDCDTBLSDMA-UHFFFAOYSA-N 1 2 396.462 3.754 20 30 GHEDLO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](Cc2cc(F)c(F)cc2O)CC1 ZINC001462174349 1070053252 /nfs/dbraw/zinc/05/32/52/1070053252.db2.gz FDCSNHUUAFBGLU-SFHVURJKSA-N 1 2 377.822 3.706 20 30 GHEDLO C=CCOC(=O)N[C@H]1CCC[N@H+](Cc2cc(OCc3ccccc3)ccn2)C1 ZINC001232592314 1038365002 /nfs/dbraw/zinc/36/50/02/1038365002.db2.gz OSXRFEYHPQFQQC-IBGZPJMESA-N 1 2 381.476 3.537 20 30 GHEDLO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cc(OCc3ccccc3)ccn2)C1 ZINC001232592314 1038365014 /nfs/dbraw/zinc/36/50/14/1038365014.db2.gz OSXRFEYHPQFQQC-IBGZPJMESA-N 1 2 381.476 3.537 20 30 GHEDLO N#Cc1cc(Cl)ccc1CN1Cc2c[nH+]cn2C[C@@H](COc2ccccn2)C1 ZINC001232607533 1038391645 /nfs/dbraw/zinc/39/16/45/1038391645.db2.gz OWSUTPKFHFOJMH-INIZCTEOSA-N 1 2 393.878 3.514 20 30 GHEDLO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H]2O[C@H](COCc3ccccn3)CC[C@H]21 ZINC001232608300 1038392126 /nfs/dbraw/zinc/39/21/26/1038392126.db2.gz XQSNSSLCQYQFKH-BHDDXSALSA-N 1 2 397.906 3.945 20 30 GHEDLO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H]2O[C@H](COCc3ccccn3)CC[C@H]21 ZINC001232608300 1038392140 /nfs/dbraw/zinc/39/21/40/1038392140.db2.gz XQSNSSLCQYQFKH-BHDDXSALSA-N 1 2 397.906 3.945 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[N@H+](Cc2cccc(C#N)n2)[C@@H](Cc2ccccc2)C1 ZINC001232924496 1038713947 /nfs/dbraw/zinc/71/39/47/1038713947.db2.gz GCQWLWUPBVACHX-NRFANRHFSA-N 1 2 392.503 3.617 20 30 GHEDLO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2cccc(C#N)n2)[C@@H](Cc2ccccc2)C1 ZINC001232924496 1038713955 /nfs/dbraw/zinc/71/39/55/1038713955.db2.gz GCQWLWUPBVACHX-NRFANRHFSA-N 1 2 392.503 3.617 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1C[C@@H](O)CCCCCCCC ZINC001252127171 1038877353 /nfs/dbraw/zinc/87/73/53/1038877353.db2.gz XZRPXOAAYKNVAR-AZUAARDMSA-N 1 2 378.561 3.511 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1C[C@@H](O)CCCCCCCC ZINC001252127171 1038877387 /nfs/dbraw/zinc/87/73/87/1038877387.db2.gz XZRPXOAAYKNVAR-AZUAARDMSA-N 1 2 378.561 3.511 20 30 GHEDLO CN(C)c1ccc(C[NH+]2CCN(c3ccc4ccccc4n3)CC2)c(F)c1C#N ZINC001233101720 1038879931 /nfs/dbraw/zinc/87/99/31/1038879931.db2.gz FQYABWTXDRYFRV-UHFFFAOYSA-N 1 2 389.478 3.634 20 30 GHEDLO C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1ccc(N(C)C)c(C#N)c1F ZINC001233102702 1038883680 /nfs/dbraw/zinc/88/36/80/1038883680.db2.gz KFXRFGWKPXGTRU-PBHICJAKSA-N 1 2 390.503 3.641 20 30 GHEDLO C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1ccc(N(C)C)c(C#N)c1F ZINC001233102702 1038883702 /nfs/dbraw/zinc/88/37/02/1038883702.db2.gz KFXRFGWKPXGTRU-PBHICJAKSA-N 1 2 390.503 3.641 20 30 GHEDLO C=CCCCCCC[C@@H](O)CNc1ccc(N2CC[NH+](C3COC3)CC2)cc1 ZINC001253246690 1039502147 /nfs/dbraw/zinc/50/21/47/1039502147.db2.gz SSWVHEQSCXSBMN-HSZRJFAPSA-N 1 2 387.568 3.507 20 30 GHEDLO C=CCOC(=O)CC[C@H]([NH2+][C@H](CCC)CCc1ccccc1)C(=O)OCC=C ZINC001254488796 1040274243 /nfs/dbraw/zinc/27/42/43/1040274243.db2.gz XIINCFOXGUZAJC-RTWAWAEBSA-N 1 2 387.520 3.985 20 30 GHEDLO COC(=O)c1ccnc(C[NH+](Cc2ccc(C#N)cc2)Cc2ccc(C#N)cc2)c1 ZINC001235209145 1040691807 /nfs/dbraw/zinc/69/18/07/1040691807.db2.gz BSCJRNQNAMYRGY-UHFFFAOYSA-N 1 2 396.450 3.814 20 30 GHEDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(C#N)c(Br)c1 ZINC001236859173 1041931686 /nfs/dbraw/zinc/93/16/86/1041931686.db2.gz HXOLZTSQLRGRDZ-DOMZBBRYSA-N 1 2 394.313 3.808 20 30 GHEDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(C#N)c(Br)c1 ZINC001236859173 1041931688 /nfs/dbraw/zinc/93/16/88/1041931688.db2.gz HXOLZTSQLRGRDZ-DOMZBBRYSA-N 1 2 394.313 3.808 20 30 GHEDLO N#Cc1cc(C[N@@H+]2CCC[C@@]3(C[C@H](OCc4cccnc4)CO3)C2)c(F)cc1F ZINC001237526642 1042251074 /nfs/dbraw/zinc/25/10/74/1042251074.db2.gz GYLQPAQATXKVBV-SIKLNZKXSA-N 1 2 399.441 3.572 20 30 GHEDLO N#Cc1cc(C[N@H+]2CCC[C@@]3(C[C@H](OCc4cccnc4)CO3)C2)c(F)cc1F ZINC001237526642 1042251077 /nfs/dbraw/zinc/25/10/77/1042251077.db2.gz GYLQPAQATXKVBV-SIKLNZKXSA-N 1 2 399.441 3.572 20 30 GHEDLO C=CCN1C(=O)CCC12CC[NH+](Cc1ncc(Cl)cc1Br)CC2 ZINC001237756068 1042355773 /nfs/dbraw/zinc/35/57/73/1042355773.db2.gz HZQTUTAOQGHESX-UHFFFAOYSA-N 1 2 398.732 3.641 20 30 GHEDLO N#CCC[N@H+](Cc1ccccc1)Cc1cccc(I)c1O ZINC001237786166 1042369223 /nfs/dbraw/zinc/36/92/23/1042369223.db2.gz MMPOAOHOJIXDCY-UHFFFAOYSA-N 1 2 392.240 3.913 20 30 GHEDLO N#CCC[N@@H+](Cc1ccccc1)Cc1cccc(I)c1O ZINC001237786166 1042369225 /nfs/dbraw/zinc/36/92/25/1042369225.db2.gz MMPOAOHOJIXDCY-UHFFFAOYSA-N 1 2 392.240 3.913 20 30 GHEDLO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cc(F)c(O)c(Cl)c3)C2)C1 ZINC001237985536 1042445128 /nfs/dbraw/zinc/44/51/28/1042445128.db2.gz YYROZXNUBWPZQY-LJQANCHMSA-N 1 2 382.863 3.795 20 30 GHEDLO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](Cc3cc(F)c(O)c(Cl)c3)C2)C1 ZINC001237985536 1042445130 /nfs/dbraw/zinc/44/51/30/1042445130.db2.gz YYROZXNUBWPZQY-LJQANCHMSA-N 1 2 382.863 3.795 20 30 GHEDLO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cncc(Cl)c3Cl)C2)C1 ZINC001238007475 1042456126 /nfs/dbraw/zinc/45/61/26/1042456126.db2.gz KIUFULDMHHOKEQ-SFHVURJKSA-N 1 2 384.307 3.999 20 30 GHEDLO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](Cc3cncc(Cl)c3Cl)C2)C1 ZINC001238007475 1042456129 /nfs/dbraw/zinc/45/61/29/1042456129.db2.gz KIUFULDMHHOKEQ-SFHVURJKSA-N 1 2 384.307 3.999 20 30 GHEDLO Cn1ncc2c1C[N@H+](Cc1ccc(Cl)c(C#N)c1)C[C@H]2COc1cccnc1 ZINC001238191631 1042515078 /nfs/dbraw/zinc/51/50/78/1042515078.db2.gz KUGBMDPQURZMGU-KRWDZBQOSA-N 1 2 393.878 3.519 20 30 GHEDLO Cn1ncc2c1C[N@@H+](Cc1ccc(Cl)c(C#N)c1)C[C@H]2COc1cccnc1 ZINC001238191631 1042515082 /nfs/dbraw/zinc/51/50/82/1042515082.db2.gz KUGBMDPQURZMGU-KRWDZBQOSA-N 1 2 393.878 3.519 20 30 GHEDLO N#Cc1ccc(N2CC[NH+](Cc3cncc(OCc4ccccc4)c3)CC2)cc1 ZINC001238368985 1042572128 /nfs/dbraw/zinc/57/21/28/1042572128.db2.gz FOFXFHCVPQNLSO-UHFFFAOYSA-N 1 2 384.483 3.854 20 30 GHEDLO C=C[C@@H]1C[C@]1([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C1)C(=O)OCC ZINC001257182810 1043922868 /nfs/dbraw/zinc/92/28/68/1043922868.db2.gz NNPCLGZZONNIFG-BZLDKRAPSA-N 1 2 380.529 3.508 20 30 GHEDLO CCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCc1cn2ccccc2[nH+]1 ZINC001294181741 1044511359 /nfs/dbraw/zinc/51/13/59/1044511359.db2.gz NXZGYRVFGHBLHA-UHFFFAOYSA-N 1 2 399.502 3.943 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC001258681254 1044709399 /nfs/dbraw/zinc/70/93/99/1044709399.db2.gz JXSOQZPWALBFCS-SCLBCKFNSA-N 1 2 395.334 3.855 20 30 GHEDLO C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC001258681254 1044709407 /nfs/dbraw/zinc/70/94/07/1044709407.db2.gz JXSOQZPWALBFCS-SCLBCKFNSA-N 1 2 395.334 3.855 20 30 GHEDLO C=CCN(C)c1nnc(-c2ccc(C)o2)n1Cc1cccc(Cn2cc[nH+]c2)c1 ZINC001301279909 1046449730 /nfs/dbraw/zinc/44/97/30/1046449730.db2.gz AWVWXTQVQBPABO-UHFFFAOYSA-N 1 2 388.475 3.762 20 30 GHEDLO C[C@@H]1CCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2Cc2ccccc2)[C@@H]1C ZINC001263161317 1046601187 /nfs/dbraw/zinc/60/11/87/1046601187.db2.gz BQHQIPGLPOWCTN-RTBURBONSA-N 1 2 392.551 3.654 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@]2(CCOC2)C1 ZINC001263301626 1046699005 /nfs/dbraw/zinc/69/90/05/1046699005.db2.gz UTDZNMVHYOFFBC-CVDCTZTESA-N 1 2 395.551 3.664 20 30 GHEDLO C=C(C)Cn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@]2(CCOC2)C1 ZINC001263301626 1046699012 /nfs/dbraw/zinc/69/90/12/1046699012.db2.gz UTDZNMVHYOFFBC-CVDCTZTESA-N 1 2 395.551 3.664 20 30 GHEDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H](CC#N)c1ccccc1 ZINC001265484076 1047617273 /nfs/dbraw/zinc/61/72/73/1047617273.db2.gz TWKCQNVQHXWTKD-NRFANRHFSA-N 1 2 376.504 3.844 20 30 GHEDLO C=CCN(c1nnc([C@@H]2CCCOC2)n1CCCc1cccc(C)[nH+]1)C1CC1 ZINC001286738537 1048497101 /nfs/dbraw/zinc/49/71/01/1048497101.db2.gz WIRHDGRTTPEPDC-GOSISDBHSA-N 1 2 381.524 3.663 20 30 GHEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCc4cc(C(F)(F)F)ccc4C3)C2=O)cc1 ZINC001307984944 1049740158 /nfs/dbraw/zinc/74/01/58/1049740158.db2.gz ZZOGQJZCMPLOPE-LJQANCHMSA-N 1 2 385.389 3.741 20 30 GHEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCc4cc(C(F)(F)F)ccc4C3)C2=O)cc1 ZINC001307984944 1049740162 /nfs/dbraw/zinc/74/01/62/1049740162.db2.gz ZZOGQJZCMPLOPE-LJQANCHMSA-N 1 2 385.389 3.741 20 30 GHEDLO Cc1cn2c([nH+]1)[C@H](Cn1c(C(C)C)nnc1N(CCC#N)CC1CC1)CCC2 ZINC001290287598 1049791407 /nfs/dbraw/zinc/79/14/07/1049791407.db2.gz PNEKMTAIGRDABM-SFHVURJKSA-N 1 2 381.528 3.614 20 30 GHEDLO N#Cc1c(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCCO2)sc2c1CCCCC2 ZINC001308162581 1049894345 /nfs/dbraw/zinc/89/43/45/1049894345.db2.gz VUCCPDMODVFSOB-QZTJIDSGSA-N 1 2 387.549 3.861 20 30 GHEDLO N#Cc1c(NC(=O)C[N@H+]2CCCC[C@@H]2[C@H]2CCCO2)sc2c1CCCCC2 ZINC001308162581 1049894353 /nfs/dbraw/zinc/89/43/53/1049894353.db2.gz VUCCPDMODVFSOB-QZTJIDSGSA-N 1 2 387.549 3.861 20 30 GHEDLO N#Cc1c(F)cc(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)cc1F ZINC001327880014 1050311891 /nfs/dbraw/zinc/31/18/91/1050311891.db2.gz BVJAMQLWQNUKCS-UHFFFAOYSA-N 1 2 395.413 3.951 20 30 GHEDLO C=CCC1(O)CC[NH+](CC(=O)Nc2nc(-c3c[nH]c4ccccc43)cs2)CC1 ZINC001331230171 1051218128 /nfs/dbraw/zinc/21/81/28/1051218128.db2.gz RREANZSFIZYPRW-UHFFFAOYSA-N 1 2 396.516 3.633 20 30 GHEDLO C#CCN(Cc1coc(C2CC2)n1)C1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC001333065666 1051650424 /nfs/dbraw/zinc/65/04/24/1051650424.db2.gz DAROTWXVACNOFJ-UHFFFAOYSA-N 1 2 380.492 3.517 20 30 GHEDLO C#CC[N@H+](Cc1coc(C2CC2)n1)C1CCN(Cc2coc(C3CC3)n2)CC1 ZINC001333065666 1051650431 /nfs/dbraw/zinc/65/04/31/1051650431.db2.gz DAROTWXVACNOFJ-UHFFFAOYSA-N 1 2 380.492 3.517 20 30 GHEDLO C#CC[N@@H+](Cc1coc(C2CC2)n1)C1CCN(Cc2coc(C3CC3)n2)CC1 ZINC001333065666 1051650435 /nfs/dbraw/zinc/65/04/35/1051650435.db2.gz DAROTWXVACNOFJ-UHFFFAOYSA-N 1 2 380.492 3.517 20 30 GHEDLO C#CC[N@H+]1CCC[C@H](NCc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)C1 ZINC001334401797 1051939887 /nfs/dbraw/zinc/93/98/87/1051939887.db2.gz JBAPQRQGWPCLMS-IBGZPJMESA-N 1 2 396.560 3.632 20 30 GHEDLO C#CC[N@@H+]1CCC[C@H](NCc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)C1 ZINC001334401797 1051939893 /nfs/dbraw/zinc/93/98/93/1051939893.db2.gz JBAPQRQGWPCLMS-IBGZPJMESA-N 1 2 396.560 3.632 20 30 GHEDLO C=CC[C@@H]1N(C(=O)NC[C@@H]2C[N@H+](Cc3cccc(C)c3)CCO2)CCCC1(C)C ZINC001313165429 1052974088 /nfs/dbraw/zinc/97/40/88/1052974088.db2.gz UNEXICRNOUXMBU-YADHBBJMSA-N 1 2 399.579 3.972 20 30 GHEDLO C=CC[C@@H]1N(C(=O)NC[C@@H]2C[N@@H+](Cc3cccc(C)c3)CCO2)CCCC1(C)C ZINC001313165429 1052974090 /nfs/dbraw/zinc/97/40/90/1052974090.db2.gz UNEXICRNOUXMBU-YADHBBJMSA-N 1 2 399.579 3.972 20 30 GHEDLO C=C(C)Cn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CC2(CCC2)OC[C@H]1C ZINC001343495603 1053812493 /nfs/dbraw/zinc/81/24/93/1053812493.db2.gz QYUZBWRDZLRFAZ-RTBURBONSA-N 1 2 398.555 3.834 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCO[C@@H](c2ccccc2F)C1 ZINC001343928605 1054123733 /nfs/dbraw/zinc/12/37/33/1054123733.db2.gz QWMWVWAQONSWDS-WOJBJXKFSA-N 1 2 399.514 3.728 20 30 GHEDLO C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCO[C@@H](c2ccccc2F)C1 ZINC001343928605 1054123738 /nfs/dbraw/zinc/12/37/38/1054123738.db2.gz QWMWVWAQONSWDS-WOJBJXKFSA-N 1 2 399.514 3.728 20 30 GHEDLO CN(C)c1cccc(Cl)c1C=[NH+]Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC001319688697 1055398265 /nfs/dbraw/zinc/39/82/65/1055398265.db2.gz LOYOYLIOOHKWIU-UHFFFAOYSA-N 1 2 387.839 3.848 20 30 GHEDLO Clc1cccc(N2CCOCC2)c1C=[NH+]Nc1cncc(Br)c1 ZINC001320229571 1055716137 /nfs/dbraw/zinc/71/61/37/1055716137.db2.gz KEJDFDRENNRNCG-UHFFFAOYSA-N 1 2 395.688 3.780 20 30 GHEDLO C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC001354494273 1056714557 /nfs/dbraw/zinc/71/45/57/1056714557.db2.gz IVRWRUHBLGXJJF-ZDUSSCGKSA-N 1 2 389.550 3.778 20 30 GHEDLO COc1cccc(-c2nn(C(C)(C)C)cc2C=NNCCCn2cc[nH+]c2)c1 ZINC000848417605 1057075439 /nfs/dbraw/zinc/07/54/39/1057075439.db2.gz CBCUYFBGYRRCJZ-UHFFFAOYSA-N 1 2 380.496 3.524 20 30 GHEDLO CC[C@H](C#N)Oc1cc(CNc2nc(C3CC3)[nH+]c(C)c2OC)ccc1OC ZINC000848665051 1057230088 /nfs/dbraw/zinc/23/00/88/1057230088.db2.gz KKYNTDPQNJUTSY-MRXNPFEDSA-N 1 2 382.464 3.973 20 30 GHEDLO C=CCC1(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)CCOCC1 ZINC001325876932 1057378585 /nfs/dbraw/zinc/37/85/85/1057378585.db2.gz CJXTUEOKWKRURW-UHFFFAOYSA-N 1 2 382.508 3.860 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC001338896182 1058865217 /nfs/dbraw/zinc/86/52/17/1058865217.db2.gz QJSRSRUBCAHTOR-XLIONFOSSA-N 1 2 397.571 3.851 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC001338896182 1058865235 /nfs/dbraw/zinc/86/52/35/1058865235.db2.gz QJSRSRUBCAHTOR-XLIONFOSSA-N 1 2 397.571 3.851 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[C@@H](c2cc(C(C)C)n[nH]2)C1 ZINC001338896182 1058865258 /nfs/dbraw/zinc/86/52/58/1058865258.db2.gz QJSRSRUBCAHTOR-XLIONFOSSA-N 1 2 397.571 3.851 20 30 GHEDLO C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[C@@H](c2cc(C(C)C)n[nH]2)C1 ZINC001338896182 1058865282 /nfs/dbraw/zinc/86/52/82/1058865282.db2.gz QJSRSRUBCAHTOR-XLIONFOSSA-N 1 2 397.571 3.851 20 30 GHEDLO C=CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N(C)Cc1cc(C)on1 ZINC001338996270 1058919205 /nfs/dbraw/zinc/91/92/05/1058919205.db2.gz YCRFKOQOIPVHKS-KRWDZBQOSA-N 1 2 380.496 3.590 20 30 GHEDLO C=CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N(C)Cc1cc(C)on1 ZINC001338996270 1058919207 /nfs/dbraw/zinc/91/92/07/1058919207.db2.gz YCRFKOQOIPVHKS-KRWDZBQOSA-N 1 2 380.496 3.590 20 30 GHEDLO C=CCn1c(N2CCC(Nc3cccc[nH+]3)CC2)nnc1C1(C#N)CCCCC1 ZINC001339108983 1058963489 /nfs/dbraw/zinc/96/34/89/1058963489.db2.gz DUVPGEFTQKMUQV-UHFFFAOYSA-N 1 2 391.523 3.665 20 30 GHEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCCC[C@@H](COC)C1 ZINC001339773440 1059458780 /nfs/dbraw/zinc/45/87/80/1059458780.db2.gz AOCHEOOUCHMSNJ-TZIWHRDSSA-N 1 2 397.567 3.910 20 30 GHEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCCC[C@@H](COC)C1 ZINC001339773440 1059458787 /nfs/dbraw/zinc/45/87/87/1059458787.db2.gz AOCHEOOUCHMSNJ-TZIWHRDSSA-N 1 2 397.567 3.910 20 30 GHEDLO C=CCn1c([C@@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CCC[C@@H](C(C)(C)O)C1 ZINC001339773793 1059459253 /nfs/dbraw/zinc/45/92/53/1059459253.db2.gz FNCWVQIZTXPTNE-UYAOXDASSA-N 1 2 397.567 3.644 20 30 GHEDLO C=CCn1c([C@@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CCC[C@@H](C(C)(C)O)C1 ZINC001339773793 1059459257 /nfs/dbraw/zinc/45/92/57/1059459257.db2.gz FNCWVQIZTXPTNE-UYAOXDASSA-N 1 2 397.567 3.644 20 30 GHEDLO C=CCn1c([C@@H](CC(C)C)n2cc[nH+]c2)nnc1N1CCCC[C@@H](COC)C1 ZINC001339796751 1059479877 /nfs/dbraw/zinc/47/98/77/1059479877.db2.gz WOOXJJYEHTZHRU-RTBURBONSA-N 1 2 386.544 3.549 20 30 GHEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCC[C@@H]1c1ccc(C(C)C)cc1 ZINC001340377015 1059900750 /nfs/dbraw/zinc/90/07/50/1059900750.db2.gz ZXWNXDBHAHXXRK-HBMCJLEFSA-N 1 2 395.551 3.667 20 30 GHEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCC[C@@H]1c1ccc(C(C)C)cc1 ZINC001340377015 1059900752 /nfs/dbraw/zinc/90/07/52/1059900752.db2.gz ZXWNXDBHAHXXRK-HBMCJLEFSA-N 1 2 395.551 3.667 20 30 GHEDLO C[C@@H]1C[C@H](C)N(c2nnc(C3CC[NH+](CCC#N)CC3)n2Cc2ccccc2)C1 ZINC001340661509 1060027449 /nfs/dbraw/zinc/02/74/49/1060027449.db2.gz PYTUMEPRQCYUQP-MOPGFXCFSA-N 1 2 392.551 3.654 20 30 GHEDLO C=CCn1c([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nnc1N1Cc2cccc(Cl)c2C1 ZINC001342013273 1060995991 /nfs/dbraw/zinc/99/59/91/1060995991.db2.gz XMEACNWTIOBXTK-APWZRJJASA-N 1 2 399.926 3.564 20 30 GHEDLO C=CCn1c([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nnc1N1Cc2cccc(Cl)c2C1 ZINC001342013273 1060995994 /nfs/dbraw/zinc/99/59/94/1060995994.db2.gz XMEACNWTIOBXTK-APWZRJJASA-N 1 2 399.926 3.564 20 30 GHEDLO C=CCn1c([C@H]2C[N@H+](C(C)C)CCO2)nnc1N1CCC[C@H]1c1cccc(F)c1 ZINC001342022073 1061001622 /nfs/dbraw/zinc/00/16/22/1061001622.db2.gz XTEHITUSWIPEOZ-VQTJNVASSA-N 1 2 399.514 3.726 20 30 GHEDLO C=CCn1c([C@H]2C[N@@H+](C(C)C)CCO2)nnc1N1CCC[C@H]1c1cccc(F)c1 ZINC001342022073 1061001639 /nfs/dbraw/zinc/00/16/39/1061001639.db2.gz XTEHITUSWIPEOZ-VQTJNVASSA-N 1 2 399.514 3.726 20 30 GHEDLO C[C@H]1CCCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2Cc2cccs2)C1 ZINC001345970968 1061252611 /nfs/dbraw/zinc/25/26/11/1061252611.db2.gz YQXGYLXLNBFHHI-KRWDZBQOSA-N 1 2 398.580 3.717 20 30 GHEDLO C=C(C)Cn1c(Cc2[nH+]ccn2C)nnc1N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC001345994312 1061271759 /nfs/dbraw/zinc/27/17/59/1061271759.db2.gz OLMGGTVEMRFAIB-CQSZACIVSA-N 1 2 386.450 3.654 20 30 GHEDLO C[C@H]1CCN(c2nnc(C3CC[NH+](CCC#N)CC3)n2CC2CC2)CC12CCC2 ZINC001346602742 1061722503 /nfs/dbraw/zinc/72/25/03/1061722503.db2.gz QRSYGMQIGMGABI-SFHVURJKSA-N 1 2 396.583 3.798 20 30 GHEDLO Cc1ccc(C(=O)/C=C/C(=O)N2CC[NH+](Cc3cccc4cccnc43)CC2)cc1 ZINC001454449304 1061782806 /nfs/dbraw/zinc/78/28/06/1061782806.db2.gz HMIPQTMZYPBMLJ-VAWYXSNFSA-N 1 2 399.494 3.627 20 30 GHEDLO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001348644647 1063257148 /nfs/dbraw/zinc/25/71/48/1063257148.db2.gz PAOVPHGAZSIPAD-FUHWJXTLSA-N 1 2 380.492 3.683 20 30 GHEDLO C#Cc1ccc(CNC(=O)[C@@H](c2cccc(Br)c2)[NH+]2CCCC2)cc1 ZINC001436381304 1063416678 /nfs/dbraw/zinc/41/66/78/1063416678.db2.gz WCSZRLYBBSCLMU-HXUWFJFHSA-N 1 2 397.316 3.884 20 30 GHEDLO C=C1CCN(c2nnc([C@@H](CC(C)C)n3cc[nH+]c3)n2C[C@H]2CCCCO2)CC1 ZINC001349462420 1063735514 /nfs/dbraw/zinc/73/55/14/1063735514.db2.gz IHLSCPKHENQYRR-WOJBJXKFSA-N 1 2 398.555 3.836 20 30 GHEDLO C#C[C@H]1CC[C@H](NC(=O)[C@@H](c2cccc(Br)c2)[NH+]2CCCC2)CC1 ZINC001439014299 1064159474 /nfs/dbraw/zinc/15/94/74/1064159474.db2.gz DFFPNJCOGZFKML-ATZDWAIDSA-N 1 2 389.337 3.894 20 30 GHEDLO Cc1ccc(C(=O)/C=C/C(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1 ZINC001464386683 1064982126 /nfs/dbraw/zinc/98/21/26/1064982126.db2.gz OCBVVGNIVJNOQY-ZHACJKMWSA-N 1 2 375.428 3.648 20 30 GHEDLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3ccc4c(C#N)c[nH]c4c3)CC2)c1 ZINC001464999022 1065317865 /nfs/dbraw/zinc/31/78/65/1065317865.db2.gz OHBOWSFWDNPAOP-MRXNPFEDSA-N 1 2 388.471 3.567 20 30 GHEDLO N#Cc1cc(NC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)ccn1 ZINC001467114999 1067077747 /nfs/dbraw/zinc/07/77/47/1067077747.db2.gz QLHDZSHLJMZRFT-UHFFFAOYSA-N 1 2 380.839 3.537 20 30 GHEDLO N#CC1(C[C@H](O)C[N@@H+]2CCc3cc(Cl)cc(Br)c3C2)CCC1 ZINC001473826368 1067576644 /nfs/dbraw/zinc/57/66/44/1067576644.db2.gz PROHFYHMOPKSSK-AWEZNQCLSA-N 1 2 383.717 3.905 20 30 GHEDLO N#CC1(C[C@H](O)C[N@H+]2CCc3cc(Cl)cc(Br)c3C2)CCC1 ZINC001473826368 1067576652 /nfs/dbraw/zinc/57/66/52/1067576652.db2.gz PROHFYHMOPKSSK-AWEZNQCLSA-N 1 2 383.717 3.905 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc(C3CCC3)n2C[C@@H](CC=C)c2ccccc2)CC1 ZINC001359035535 1067659396 /nfs/dbraw/zinc/65/93/96/1067659396.db2.gz WXPZBVCVXGMBDH-JOCHJYFZSA-N 1 2 389.547 3.661 20 30 GHEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2C[C@H]2CCCc3ccccc32)CC1 ZINC001359029451 1067659560 /nfs/dbraw/zinc/65/95/60/1067659560.db2.gz YFJRKLZEICSRKB-PZJWPPBQSA-N 1 2 391.563 3.667 20 30 GHEDLO C#Cc1cccc(CNC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC001477864443 1078599782 /nfs/dbraw/zinc/59/97/82/1078599782.db2.gz STXXDEOZDPCRQP-FQEVSTJZSA-N 1 2 399.897 3.924 20 30 GHEDLO C#Cc1cccc(CNC(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC001477864443 1078599788 /nfs/dbraw/zinc/59/97/88/1078599788.db2.gz STXXDEOZDPCRQP-FQEVSTJZSA-N 1 2 399.897 3.924 20 30 GHEDLO C#CC[C@@H]1CCCN(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC001468759128 1067864284 /nfs/dbraw/zinc/86/42/84/1067864284.db2.gz NAFRMPGDFZRLLT-VQIMIIECSA-N 1 2 391.918 3.888 20 30 GHEDLO C#CC[C@@H]1CCCN(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC001468759128 1067864292 /nfs/dbraw/zinc/86/42/92/1067864292.db2.gz NAFRMPGDFZRLLT-VQIMIIECSA-N 1 2 391.918 3.888 20 30 GHEDLO C=CCN(c1nnc(-c2ccccc2C)n1Cc1ccc(N(C)C)[nH+]c1)C1CC1 ZINC001359248846 1067894254 /nfs/dbraw/zinc/89/42/54/1067894254.db2.gz FBBJCMRVYJWMEZ-UHFFFAOYSA-N 1 2 388.519 3.918 20 30 GHEDLO CCn1nc(C)c(C[N@H+](C)CC(=O)N(CCC#N)c2ccc(C)c(C)c2)c1C ZINC001460582377 1069008953 /nfs/dbraw/zinc/00/89/53/1069008953.db2.gz WVKTXCZOLOSQBQ-UHFFFAOYSA-N 1 2 381.524 3.515 20 30 GHEDLO CCn1nc(C)c(C[N@@H+](C)CC(=O)N(CCC#N)c2ccc(C)c(C)c2)c1C ZINC001460582377 1069008960 /nfs/dbraw/zinc/00/89/60/1069008960.db2.gz WVKTXCZOLOSQBQ-UHFFFAOYSA-N 1 2 381.524 3.515 20 30 GHEDLO N#C[C@@]1(c2ccccn2)CCC[N@@H+](C[C@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC001460605661 1069023296 /nfs/dbraw/zinc/02/32/96/1069023296.db2.gz NMQBTZZBGMJLLA-HKUYNNGSSA-N 1 2 375.394 3.691 20 30 GHEDLO N#C[C@@]1(c2ccccn2)CCC[N@H+](C[C@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC001460605661 1069023305 /nfs/dbraw/zinc/02/33/05/1069023305.db2.gz NMQBTZZBGMJLLA-HKUYNNGSSA-N 1 2 375.394 3.691 20 30 GHEDLO C[C@H](NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001472533033 1073536002 /nfs/dbraw/zinc/53/60/02/1073536002.db2.gz PJUDRZUMOWXJME-JTSKRJEESA-N 1 2 385.471 3.590 20 30 GHEDLO CC(C)[C@H]1C[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CCS1 ZINC001473188570 1073841445 /nfs/dbraw/zinc/84/14/45/1073841445.db2.gz CHWHTLSMRVUTPD-QGZVFWFLSA-N 1 2 377.579 3.901 20 30 GHEDLO CC(C)[C@H]1C[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CCS1 ZINC001473188570 1073841451 /nfs/dbraw/zinc/84/14/51/1073841451.db2.gz CHWHTLSMRVUTPD-QGZVFWFLSA-N 1 2 377.579 3.901 20 30 GHEDLO C=CC[N@H+](CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1)[C@H](C)COC ZINC001473637301 1074060866 /nfs/dbraw/zinc/06/08/66/1074060866.db2.gz QLKCXBNUVWJWHU-GOSISDBHSA-N 1 2 396.535 3.991 20 30 GHEDLO C=CC[N@@H+](CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1)[C@H](C)COC ZINC001473637301 1074060868 /nfs/dbraw/zinc/06/08/68/1074060868.db2.gz QLKCXBNUVWJWHU-GOSISDBHSA-N 1 2 396.535 3.991 20 30 GHEDLO C=CC[N@H+](CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1)[C@@H](C)COC ZINC001473637302 1074061071 /nfs/dbraw/zinc/06/10/71/1074061071.db2.gz QLKCXBNUVWJWHU-SFHVURJKSA-N 1 2 396.535 3.991 20 30 GHEDLO C=CC[N@@H+](CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1)[C@@H](C)COC ZINC001473637302 1074061081 /nfs/dbraw/zinc/06/10/81/1074061081.db2.gz QLKCXBNUVWJWHU-SFHVURJKSA-N 1 2 396.535 3.991 20 30 GHEDLO C=CC[N@H+](CC(=O)Nc1nc(C)c(Cc2ccc(C)cc2)s1)[C@H](C)COC ZINC001473638020 1074061698 /nfs/dbraw/zinc/06/16/98/1074061698.db2.gz XWAZRDMXZARTQY-MRXNPFEDSA-N 1 2 387.549 3.812 20 30 GHEDLO C=CC[N@@H+](CC(=O)Nc1nc(C)c(Cc2ccc(C)cc2)s1)[C@H](C)COC ZINC001473638020 1074061709 /nfs/dbraw/zinc/06/17/09/1074061709.db2.gz XWAZRDMXZARTQY-MRXNPFEDSA-N 1 2 387.549 3.812 20 30 GHEDLO Cc1ccc(-c2noc([C@@H](C)[NH+]3CCN(c4ccc(C#N)cc4)CC3)n2)cc1F ZINC001473726080 1074110786 /nfs/dbraw/zinc/11/07/86/1074110786.db2.gz RBGBEXIDDQZIPH-MRXNPFEDSA-N 1 2 391.450 3.939 20 30 GHEDLO C=CCOc1ccc(CNc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)cc1OC ZINC001474133490 1074272878 /nfs/dbraw/zinc/27/28/78/1074272878.db2.gz XDVIINFSDPBMOG-IAGOWNOFSA-N 1 2 383.492 3.881 20 30 GHEDLO FC(F)(F)c1cc(NN=Cc2ccc(-n3cc[nH+]c3)cc2)ccc1-c1nn[nH]n1 ZINC000737632055 598315719 /nfs/dbraw/zinc/31/57/19/598315719.db2.gz JGEPOXHKGNUPLE-UHFFFAOYSA-N 1 2 398.352 3.517 20 30 GHEDLO C=CC[N@@H+](Cc1nc2ccc(Cl)cc2n1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823914150 608631147 /nfs/dbraw/zinc/63/11/47/608631147.db2.gz BOPLNVHXTJDNGL-UHFFFAOYSA-N 1 2 393.882 3.595 20 30 GHEDLO C=CC[N@H+](Cc1nc2ccc(Cl)cc2n1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823914150 608631148 /nfs/dbraw/zinc/63/11/48/608631148.db2.gz BOPLNVHXTJDNGL-UHFFFAOYSA-N 1 2 393.882 3.595 20 30 GHEDLO