smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)CC1 ZINC000180001374 836568909 /nfs/dbraw/zinc/56/89/09/836568909.db2.gz AMANNNLPBLITGZ-OAQYLSRUSA-N 2 1 391.563 3.903 20 30 GHEDMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)CC1 ZINC000180001374 836568917 /nfs/dbraw/zinc/56/89/17/836568917.db2.gz AMANNNLPBLITGZ-OAQYLSRUSA-N 2 1 391.563 3.903 20 30 GHEDMP CC[N@@H+](C)Cc1cccc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)c1 ZINC000160691182 840454640 /nfs/dbraw/zinc/45/46/40/840454640.db2.gz FIXUJMMHRPWCHS-UHFFFAOYSA-N 2 1 380.414 3.964 20 30 GHEDMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CCCO1 ZINC000432370435 842229540 /nfs/dbraw/zinc/22/95/40/842229540.db2.gz ZUEATDJHDSBERA-HXUWFJFHSA-N 2 1 393.531 3.728 20 30 GHEDMP C=C(C)CN(CC)C(=O)[C@@H](C)Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000161196133 846706871 /nfs/dbraw/zinc/70/68/71/846706871.db2.gz ZIKPWOFPUNLDOL-LJQANCHMSA-N 2 1 386.584 3.690 20 30 GHEDMP COc1cccc(NC(=[NH2+])NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000262006749 850842129 /nfs/dbraw/zinc/84/21/29/850842129.db2.gz IMQHZHUQMXTRRR-IFXJQAMLSA-N 2 1 390.890 3.907 20 30 GHEDMP C[NH+]1CCN([C@@H](C[NH2+]Cc2cccc(OCCCC#N)c2)c2cccs2)CC1 ZINC000518249376 853133732 /nfs/dbraw/zinc/13/37/32/853133732.db2.gz FEBWCKUNHVNVLO-NRFANRHFSA-N 2 1 398.576 3.509 20 30 GHEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1sc2ccc(C#N)cc2c1C ZINC000550386888 854441942 /nfs/dbraw/zinc/44/19/42/854441942.db2.gz OCFDEZBBFNHPKF-SFHVURJKSA-N 2 1 398.576 3.570 20 30 GHEDMP C=CCOc1c(Br)cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1OC ZINC000442922331 858245293 /nfs/dbraw/zinc/24/52/93/858245293.db2.gz KLZLYDQYBPTVPE-AWEZNQCLSA-N 2 1 383.330 3.583 20 30 GHEDMP FC1(F)[C@H]2C[N@@H+](CCCC3CC[NH2+]CC3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000923529325 859398366 /nfs/dbraw/zinc/39/83/66/859398366.db2.gz CVZSNJQBOKKIPW-TXEJJXNPSA-N 2 1 394.350 3.869 20 30 GHEDMP C[NH+]1CCN([C@H](C[NH2+][C@H]2CCCc3cc(C#N)ccc32)c2cccs2)CC1 ZINC000611390347 859740368 /nfs/dbraw/zinc/74/03/68/859740368.db2.gz UOJHKHBQHCKDSW-LEWJYISDSA-N 2 1 380.561 3.575 20 30 GHEDMP C#CCOc1ccccc1C[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856562218 881471767 /nfs/dbraw/zinc/47/17/67/881471767.db2.gz WJYBIMWOUIFRIR-HSZRJFAPSA-N 2 1 393.531 3.587 20 30 GHEDMP C#CCOc1ccccc1C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856562218 881471777 /nfs/dbraw/zinc/47/17/77/881471777.db2.gz WJYBIMWOUIFRIR-HSZRJFAPSA-N 2 1 393.531 3.587 20 30 GHEDMP C#CCOc1ccccc1C[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856562218 881471784 /nfs/dbraw/zinc/47/17/84/881471784.db2.gz WJYBIMWOUIFRIR-HSZRJFAPSA-N 2 1 393.531 3.587 20 30 GHEDMP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC#Cc3ccc(Cl)cc3)C2)ccn1 ZINC000856589214 881560540 /nfs/dbraw/zinc/56/05/40/881560540.db2.gz HVQLDGQKHMYRHQ-JOCHJYFZSA-N 2 1 383.923 3.692 20 30 GHEDMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC#Cc3ccc(Cl)cc3)C2)ccn1 ZINC000856589214 881560553 /nfs/dbraw/zinc/56/05/53/881560553.db2.gz HVQLDGQKHMYRHQ-JOCHJYFZSA-N 2 1 383.923 3.692 20 30 GHEDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C2)ccn1 ZINC000856589214 881560566 /nfs/dbraw/zinc/56/05/66/881560566.db2.gz HVQLDGQKHMYRHQ-JOCHJYFZSA-N 2 1 383.923 3.692 20 30 GHEDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)ccn1 ZINC000856589214 881560572 /nfs/dbraw/zinc/56/05/72/881560572.db2.gz HVQLDGQKHMYRHQ-JOCHJYFZSA-N 2 1 383.923 3.692 20 30 GHEDMP C[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC000305209769 866581526 /nfs/dbraw/zinc/58/15/26/866581526.db2.gz GWCNLRSGQUJIJM-AWEZNQCLSA-N 2 1 380.414 3.832 20 30 GHEDMP C[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC000305209769 866581536 /nfs/dbraw/zinc/58/15/36/866581536.db2.gz GWCNLRSGQUJIJM-AWEZNQCLSA-N 2 1 380.414 3.832 20 30 GHEDMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(C#N)(c3ccc(Br)cc3)CC1)C2 ZINC001169143177 871251413 /nfs/dbraw/zinc/25/14/13/871251413.db2.gz YUHMFVRADIOABR-REPLKXPHSA-N 2 1 388.353 3.931 20 30 GHEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(C#N)(c3ccc(Br)cc3)CC1)C2 ZINC001169143177 871251433 /nfs/dbraw/zinc/25/14/33/871251433.db2.gz YUHMFVRADIOABR-REPLKXPHSA-N 2 1 388.353 3.931 20 30 GHEDMP N#Cc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000549868361 875731586 /nfs/dbraw/zinc/73/15/86/875731586.db2.gz UYRMCJARNYRWCJ-IBGZPJMESA-N 2 1 381.545 3.638 20 30 GHEDMP COc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1C#N ZINC000850402195 876883248 /nfs/dbraw/zinc/88/32/48/876883248.db2.gz GIKCEJMLBYPOLL-QFIPXVFZSA-N 2 1 375.516 3.959 20 30 GHEDMP C#CCOc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000153471793 885774984 /nfs/dbraw/zinc/77/49/84/885774984.db2.gz ALWIUWOQNJIQRT-PMACEKPBSA-N 2 1 378.516 3.770 20 30 GHEDMP C#CCOc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000153471793 885774994 /nfs/dbraw/zinc/77/49/94/885774994.db2.gz ALWIUWOQNJIQRT-PMACEKPBSA-N 2 1 378.516 3.770 20 30 GHEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)COC(c2ccccc2)c2ccccc2)CC1 ZINC000562985890 893245801 /nfs/dbraw/zinc/24/58/01/893245801.db2.gz UWXLWEZMVOROFO-DEOSSOPVSA-N 2 1 394.559 3.784 20 30 GHEDMP N#CCOc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC001137124174 893718253 /nfs/dbraw/zinc/71/82/53/893718253.db2.gz SNZGAOBHYGBPRR-DHIUTWEWSA-N 2 1 375.516 3.933 20 30 GHEDMP N#CCOc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC001137124174 893718261 /nfs/dbraw/zinc/71/82/61/893718261.db2.gz SNZGAOBHYGBPRR-DHIUTWEWSA-N 2 1 375.516 3.933 20 30 GHEDMP N#CCOc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC001137124174 893718271 /nfs/dbraw/zinc/71/82/71/893718271.db2.gz SNZGAOBHYGBPRR-DHIUTWEWSA-N 2 1 375.516 3.933 20 30 GHEDMP CC(=O)[C@@](C#N)(CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000878528266 894361724 /nfs/dbraw/zinc/36/17/24/894361724.db2.gz MIWSJNYNXPUMFD-DEOSSOPVSA-N 2 1 390.531 3.839 20 30 GHEDMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCCC3(C#N)CCOCC3)C2)s1 ZINC000565047203 895368319 /nfs/dbraw/zinc/36/83/19/895368319.db2.gz CXTLOPJRDWSNLF-LJQANCHMSA-N 2 1 375.582 3.911 20 30 GHEDMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCCC3(C#N)CCOCC3)C2)s1 ZINC000565047203 895368331 /nfs/dbraw/zinc/36/83/31/895368331.db2.gz CXTLOPJRDWSNLF-LJQANCHMSA-N 2 1 375.582 3.911 20 30 GHEDMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCCC3(C#N)CCOCC3)C2)s1 ZINC000565047203 895368345 /nfs/dbraw/zinc/36/83/45/895368345.db2.gz CXTLOPJRDWSNLF-LJQANCHMSA-N 2 1 375.582 3.911 20 30 GHEDMP Cc1cc(N2CCC([NH2+][C@H]3CCCCc4cc(C#N)ccc43)CC2)nc(C)[nH+]1 ZINC000577810528 903225974 /nfs/dbraw/zinc/22/59/74/903225974.db2.gz VNRJVGDCWZPRTN-QFIPXVFZSA-N 2 1 375.520 3.991 20 30 GHEDMP C=CCOC(=O)N[C@@H]1CCC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171990721 905200995 /nfs/dbraw/zinc/20/09/95/905200995.db2.gz NFGAHYRHRUDGFR-NHCUHLMSSA-N 2 1 385.552 3.806 20 30 GHEDMP C=CCOC(=O)N[C@@H]1CCC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171990721 905201007 /nfs/dbraw/zinc/20/10/07/905201007.db2.gz NFGAHYRHRUDGFR-NHCUHLMSSA-N 2 1 385.552 3.806 20 30 GHEDMP C=CCOC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171990721 905201023 /nfs/dbraw/zinc/20/10/23/905201023.db2.gz NFGAHYRHRUDGFR-NHCUHLMSSA-N 2 1 385.552 3.806 20 30 GHEDMP C=CCOC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171990721 905201035 /nfs/dbraw/zinc/20/10/35/905201035.db2.gz NFGAHYRHRUDGFR-NHCUHLMSSA-N 2 1 385.552 3.806 20 30 GHEDMP C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001172305253 905459397 /nfs/dbraw/zinc/45/93/97/905459397.db2.gz REOXSALGCUIHSM-LJQANCHMSA-N 2 1 395.572 3.918 20 30 GHEDMP C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001172305253 905459404 /nfs/dbraw/zinc/45/94/04/905459404.db2.gz REOXSALGCUIHSM-LJQANCHMSA-N 2 1 395.572 3.918 20 30 GHEDMP C[NH+](C)CC[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)c1ccccc1 ZINC001172972400 906035236 /nfs/dbraw/zinc/03/52/36/906035236.db2.gz YBTSAUMBQAMZBR-SLFFLAALSA-N 2 1 386.540 3.561 20 30 GHEDMP C[NH+]1CCN(c2ccc(NC3=CCC[N@@H+](Cc4ccccc4)C3)cc2C#N)CC1 ZINC001174395938 907000996 /nfs/dbraw/zinc/00/09/96/907000996.db2.gz APPIMXHOYOBNMR-UHFFFAOYSA-N 2 1 387.531 3.512 20 30 GHEDMP C[NH+]1CCN(c2ccc(NC3=CC[N@@H+](Cc4ccccc4)CC3)cc2C#N)CC1 ZINC001175506089 907593481 /nfs/dbraw/zinc/59/34/81/907593481.db2.gz NRNPHUKUPVWNMI-UHFFFAOYSA-N 2 1 387.531 3.512 20 30 GHEDMP [NH2+]=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303793072 915131329 /nfs/dbraw/zinc/13/13/29/915131329.db2.gz YYQRXWLYVLKCRY-HNNXBMFYSA-N 2 1 382.386 3.742 20 30 GHEDMP COc1cccc(NC(=[NH2+])NC[C@H](c2ccccc2OC)[NH+]2CCCCC2)c1 ZINC000303892612 915300531 /nfs/dbraw/zinc/30/05/31/915300531.db2.gz NRUWNKPCVBZMFZ-HXUWFJFHSA-N 2 1 382.508 3.658 20 30 GHEDMP C=C(C)COc1ccccc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001138660837 1025179681 /nfs/dbraw/zinc/17/96/81/1025179681.db2.gz DWWUHTXILBXUAW-GGAORHGYSA-N 2 1 377.532 3.990 20 30 GHEDMP C=C(C)COc1ccccc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001138660837 1025179685 /nfs/dbraw/zinc/17/96/85/1025179685.db2.gz DWWUHTXILBXUAW-GGAORHGYSA-N 2 1 377.532 3.990 20 30 GHEDMP C=C(C)COc1ccccc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001138660837 1025179691 /nfs/dbraw/zinc/17/96/91/1025179691.db2.gz DWWUHTXILBXUAW-GGAORHGYSA-N 2 1 377.532 3.990 20 30 GHEDMP C=C(C)COc1ccccc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001138660837 1025179699 /nfs/dbraw/zinc/17/96/99/1025179699.db2.gz DWWUHTXILBXUAW-GGAORHGYSA-N 2 1 377.532 3.990 20 30 GHEDMP N#Cc1cccc(C[N@@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1 ZINC001222577442 1030207581 /nfs/dbraw/zinc/20/75/81/1030207581.db2.gz ZRNFOACEENNMBE-QHCPKHFHSA-N 2 1 375.516 3.862 20 30 GHEDMP N#Cc1cccc(C[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1 ZINC001222577442 1030207599 /nfs/dbraw/zinc/20/75/99/1030207599.db2.gz ZRNFOACEENNMBE-QHCPKHFHSA-N 2 1 375.516 3.862 20 30 GHEDMP N#Cc1cc(Br)ccc1C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001206755834 1033970265 /nfs/dbraw/zinc/97/02/65/1033970265.db2.gz RUZYGCNCQKGJAH-UHFFFAOYSA-N 2 1 384.321 3.813 20 30 GHEDMP C=CCOC[C@@H]1CCC[C@@]12C[N@H+](C[C@@H]1CCC[NH+](Cc3ccccc3)C1)CCO2 ZINC001208937989 1035105132 /nfs/dbraw/zinc/10/51/32/1035105132.db2.gz YWHINDIHAOISOR-DSNGMDLFSA-N 2 1 398.591 3.972 20 30 GHEDMP C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](C[C@@H]1CCC[NH+](Cc3ccccc3)C1)CCO2 ZINC001208937989 1035105137 /nfs/dbraw/zinc/10/51/37/1035105137.db2.gz YWHINDIHAOISOR-DSNGMDLFSA-N 2 1 398.591 3.972 20 30 GHEDMP C=CCOC[C@@H]1CCC[C@@]12C[NH+](C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)CCO2 ZINC001208937989 1035105143 /nfs/dbraw/zinc/10/51/43/1035105143.db2.gz YWHINDIHAOISOR-DSNGMDLFSA-N 2 1 398.591 3.972 20 30 GHEDMP C=CCOC[C@@H]1CCC[C@@]12C[NH+](C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CCO2 ZINC001208937989 1035105147 /nfs/dbraw/zinc/10/51/47/1035105147.db2.gz YWHINDIHAOISOR-DSNGMDLFSA-N 2 1 398.591 3.972 20 30 GHEDMP C=CCN1C(=O)CC[C@@]12CCC[N@@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)CC2 ZINC001208947531 1035117295 /nfs/dbraw/zinc/11/72/95/1035117295.db2.gz UCENMZLPVBLTIR-ISKFKSNPSA-N 2 1 381.564 3.542 20 30 GHEDMP C=CCN1C(=O)CC[C@@]12CCC[NH+](C[C@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208947531 1035117298 /nfs/dbraw/zinc/11/72/98/1035117298.db2.gz UCENMZLPVBLTIR-ISKFKSNPSA-N 2 1 381.564 3.542 20 30 GHEDMP C=CCN1C(=O)CC[C@@]12CCC[NH+](C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208947531 1035117301 /nfs/dbraw/zinc/11/73/01/1035117301.db2.gz UCENMZLPVBLTIR-ISKFKSNPSA-N 2 1 381.564 3.542 20 30 GHEDMP N#Cc1ccc(O[C@H]2CCC[N@@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001208956573 1035130594 /nfs/dbraw/zinc/13/05/94/1035130594.db2.gz BPJQGTGNHICVFS-UPVQGACJSA-N 2 1 375.516 3.924 20 30 GHEDMP N#Cc1ccc(O[C@H]2CCC[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001208956573 1035130604 /nfs/dbraw/zinc/13/06/04/1035130604.db2.gz BPJQGTGNHICVFS-UPVQGACJSA-N 2 1 375.516 3.924 20 30 GHEDMP N#Cc1ccc(O[C@H]2CCC[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001208956573 1035130612 /nfs/dbraw/zinc/13/06/12/1035130612.db2.gz BPJQGTGNHICVFS-UPVQGACJSA-N 2 1 375.516 3.924 20 30 GHEDMP C=CC[N@H+](CCc1ccco1)Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001461998067 1069935930 /nfs/dbraw/zinc/93/59/30/1069935930.db2.gz IIGLYDRYILLHRC-UHFFFAOYSA-N 2 1 378.419 3.893 20 30 GHEDMP Cn1cc(C[N@H+](Cc2cccc(F)c2)C2CC[NH2+]CC2)c2cc(C#N)ccc21 ZINC001236408697 1041704923 /nfs/dbraw/zinc/70/49/23/1041704923.db2.gz QRFLRRIMTAQYKS-UHFFFAOYSA-N 2 1 376.479 3.943 20 30 GHEDMP Cn1cc(C[N@@H+](Cc2cccc(F)c2)C2CC[NH2+]CC2)c2cc(C#N)ccc21 ZINC001236408697 1041704929 /nfs/dbraw/zinc/70/49/29/1041704929.db2.gz QRFLRRIMTAQYKS-UHFFFAOYSA-N 2 1 376.479 3.943 20 30 GHEDMP C#CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1F)[C@@H]1CCc2ccccc21 ZINC001236937449 1041964857 /nfs/dbraw/zinc/96/48/57/1041964857.db2.gz HZBVLKJRISAMOX-XMMPIXPASA-N 2 1 377.507 3.700 20 30 GHEDMP C#CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1F)[C@@H]1CCc2ccccc21 ZINC001236937449 1041964859 /nfs/dbraw/zinc/96/48/59/1041964859.db2.gz HZBVLKJRISAMOX-XMMPIXPASA-N 2 1 377.507 3.700 20 30 GHEDMP COc1cccc([C@@H](CNC(=[NH+]Cc2ccccc2)N(C)C)[NH+]2CCCC2)c1 ZINC000849054325 1057565008 /nfs/dbraw/zinc/56/50/08/1057565008.db2.gz FVFXBQYJRUFSMV-JOCHJYFZSA-N 2 1 380.536 3.540 20 30 GHEDMP COCC[N@H+]1CCC[C@H]1C[NH+]=C(NCc1ccc(C)cc1)Nc1ccccc1 ZINC000849074994 1057582183 /nfs/dbraw/zinc/58/21/83/1057582183.db2.gz XGRUNKUNJASODZ-QFIPXVFZSA-N 2 1 380.536 3.664 20 30 GHEDMP COc1cc(C#N)ccc1OCC[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001459665895 1064159966 /nfs/dbraw/zinc/15/99/66/1064159966.db2.gz DHZCDXKCXSHYOE-IBGZPJMESA-N 2 1 385.552 3.922 20 30 GHEDMP C#Cc1ccc(NC(=O)CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC001473416940 1073955436 /nfs/dbraw/zinc/95/54/36/1073955436.db2.gz WAUZIKYYCLVIBL-QHCPKHFHSA-N 2 1 389.543 3.887 20 30 GHEDMP C#Cc1ccc(NC(=O)CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC001473416940 1073955437 /nfs/dbraw/zinc/95/54/37/1073955437.db2.gz WAUZIKYYCLVIBL-QHCPKHFHSA-N 2 1 389.543 3.887 20 30 GHEDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)Nc1ccc(C#N)cc1 ZINC000548931784 836242593 /nfs/dbraw/zinc/24/25/93/836242593.db2.gz BASZSCMTMBUCPC-JOCHJYFZSA-N 2 1 390.531 3.777 20 30 GHEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)Nc1ccc(C#N)cc1 ZINC000548931784 836242609 /nfs/dbraw/zinc/24/26/09/836242609.db2.gz BASZSCMTMBUCPC-JOCHJYFZSA-N 2 1 390.531 3.777 20 30 GHEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000158974125 839525667 /nfs/dbraw/zinc/52/56/67/839525667.db2.gz NRSAYMCWYKNNDQ-QGZVFWFLSA-N 2 1 388.581 3.925 20 30 GHEDMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2sccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000156961129 840939157 /nfs/dbraw/zinc/93/91/57/840939157.db2.gz LLZHTZYMCLARKJ-YLJYHZDGSA-N 2 1 396.560 3.933 20 30 GHEDMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2sccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000156961129 840939159 /nfs/dbraw/zinc/93/91/59/840939159.db2.gz LLZHTZYMCLARKJ-YLJYHZDGSA-N 2 1 396.560 3.933 20 30 GHEDMP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2sccc2C#N)CC[NH+]1Cc1ccccc1 ZINC000156961129 840939165 /nfs/dbraw/zinc/93/91/65/840939165.db2.gz LLZHTZYMCLARKJ-YLJYHZDGSA-N 2 1 396.560 3.933 20 30 GHEDMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2sccc2C#N)CC[NH+]1Cc1ccccc1 ZINC000156961129 840939171 /nfs/dbraw/zinc/93/91/71/840939171.db2.gz LLZHTZYMCLARKJ-YLJYHZDGSA-N 2 1 396.560 3.933 20 30 GHEDMP N#Cc1cccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000555612574 861415522 /nfs/dbraw/zinc/41/55/22/861415522.db2.gz UFJMSTDDHCFTFM-QHCPKHFHSA-N 2 1 375.516 3.577 20 30 GHEDMP C#CCOc1ccc([C@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cc1 ZINC000162742684 849423530 /nfs/dbraw/zinc/42/35/30/849423530.db2.gz FNIAQEPNXBRCKY-SFHVURJKSA-N 2 1 381.520 3.866 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000608061417 852122522 /nfs/dbraw/zinc/12/25/22/852122522.db2.gz AFSCVECIPOBIMN-HIFRSBDPSA-N 2 1 383.330 3.595 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000608061417 852122527 /nfs/dbraw/zinc/12/25/27/852122527.db2.gz AFSCVECIPOBIMN-HIFRSBDPSA-N 2 1 383.330 3.595 20 30 GHEDMP C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491057348 853430264 /nfs/dbraw/zinc/43/02/64/853430264.db2.gz LGAMCPFEGMLBBM-GMAHTHKFSA-N 2 1 386.580 3.743 20 30 GHEDMP C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491057348 853430270 /nfs/dbraw/zinc/43/02/70/853430270.db2.gz LGAMCPFEGMLBBM-GMAHTHKFSA-N 2 1 386.580 3.743 20 30 GHEDMP COc1ccc2occ(C(=O)NCC3(N4CCCCC4)CC[NH+](C)CC3)c2c1 ZINC000328690750 854511054 /nfs/dbraw/zinc/51/10/54/854511054.db2.gz DPQBQGYFNLIEIL-UHFFFAOYSA-N 2 1 385.508 3.696 20 30 GHEDMP N#Cc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c(C(F)(F)F)c1 ZINC000574964208 858475408 /nfs/dbraw/zinc/47/54/08/858475408.db2.gz BPGJABWRHASLQJ-UHFFFAOYSA-N 2 1 389.421 3.699 20 30 GHEDMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000113322790 858939137 /nfs/dbraw/zinc/93/91/37/858939137.db2.gz OYHSYTXAUPLPDN-WOJBJXKFSA-N 2 1 379.552 3.921 20 30 GHEDMP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185701895 859117433 /nfs/dbraw/zinc/11/74/33/859117433.db2.gz JFSJGMDUMNTBME-NHCUHLMSSA-N 2 1 396.579 3.793 20 30 GHEDMP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185701895 859117444 /nfs/dbraw/zinc/11/74/44/859117444.db2.gz JFSJGMDUMNTBME-NHCUHLMSSA-N 2 1 396.579 3.793 20 30 GHEDMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)CCO1 ZINC000597248079 859392513 /nfs/dbraw/zinc/39/25/13/859392513.db2.gz LHQXZBHAKQFHSS-XMMPIXPASA-N 2 1 393.531 3.680 20 30 GHEDMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)CCO1 ZINC000597248079 859392523 /nfs/dbraw/zinc/39/25/23/859392523.db2.gz LHQXZBHAKQFHSS-XMMPIXPASA-N 2 1 393.531 3.680 20 30 GHEDMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CCO1 ZINC000597248308 859392743 /nfs/dbraw/zinc/39/27/43/859392743.db2.gz PVCVEYNRHCROKV-DEOSSOPVSA-N 2 1 393.531 3.680 20 30 GHEDMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CCO1 ZINC000597248308 859392753 /nfs/dbraw/zinc/39/27/53/859392753.db2.gz PVCVEYNRHCROKV-DEOSSOPVSA-N 2 1 393.531 3.680 20 30 GHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000153015520 881529044 /nfs/dbraw/zinc/52/90/44/881529044.db2.gz HFYPDONDTLJARQ-HNNXBMFYSA-N 2 1 379.932 3.696 20 30 GHEDMP [NH2+]=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)N[C@@H]1CCOc2ccccc21 ZINC000262277862 860973291 /nfs/dbraw/zinc/97/32/91/860973291.db2.gz IKGMEERVMRFURS-IFMALSPDSA-N 2 1 392.547 3.717 20 30 GHEDMP C=CCOC(=O)N[C@@H]1CCC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168063375 864928491 /nfs/dbraw/zinc/92/84/91/864928491.db2.gz AMEBLKMIMOWATJ-NPDDRXJXSA-N 2 1 385.552 3.805 20 30 GHEDMP C=CCOC(=O)N[C@@H]1CCC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168063375 864928499 /nfs/dbraw/zinc/92/84/99/864928499.db2.gz AMEBLKMIMOWATJ-NPDDRXJXSA-N 2 1 385.552 3.805 20 30 GHEDMP C=CCOC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168063375 864928502 /nfs/dbraw/zinc/92/85/02/864928502.db2.gz AMEBLKMIMOWATJ-NPDDRXJXSA-N 2 1 385.552 3.805 20 30 GHEDMP C=CCOC(=O)N[C@@H]1CCC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168063375 864928509 /nfs/dbraw/zinc/92/85/09/864928509.db2.gz AMEBLKMIMOWATJ-NPDDRXJXSA-N 2 1 385.552 3.805 20 30 GHEDMP C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000121651633 869729375 /nfs/dbraw/zinc/72/93/75/869729375.db2.gz JXUUUFJRSXQFOM-KRWDZBQOSA-N 2 1 388.581 3.541 20 30 GHEDMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000540707102 871946625 /nfs/dbraw/zinc/94/66/25/871946625.db2.gz OXHKCXIMSWVNSA-FDDCHVKYSA-N 2 1 380.511 3.727 20 30 GHEDMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000540707105 871946785 /nfs/dbraw/zinc/94/67/85/871946785.db2.gz OXHKCXIMSWVNSA-JPYJTQIMSA-N 2 1 380.511 3.727 20 30 GHEDMP N#Cc1ccc(N2CCC([NH2+]C3CC[NH+](CCc4ccccc4)CC3)CC2)cc1 ZINC000285583527 912349591 /nfs/dbraw/zinc/34/95/91/912349591.db2.gz ITYBYUNJGIXNKO-UHFFFAOYSA-N 2 1 388.559 3.824 20 30 GHEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)[C@H](C)C1 ZINC000536867404 884245761 /nfs/dbraw/zinc/24/57/61/884245761.db2.gz DFWGISXQQMUUJL-SDXIKQIGSA-N 2 1 399.579 3.975 20 30 GHEDMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000532649577 886900192 /nfs/dbraw/zinc/90/01/92/886900192.db2.gz LCXFANQEMFHFOH-DENIHFKCSA-N 2 1 390.531 3.872 20 30 GHEDMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000532649577 886900209 /nfs/dbraw/zinc/90/02/09/886900209.db2.gz LCXFANQEMFHFOH-DENIHFKCSA-N 2 1 390.531 3.872 20 30 GHEDMP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccccc2C#N)CC[NH+]1Cc1ccccc1 ZINC000532649577 886900221 /nfs/dbraw/zinc/90/02/21/886900221.db2.gz LCXFANQEMFHFOH-DENIHFKCSA-N 2 1 390.531 3.872 20 30 GHEDMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2C#N)CC[NH+]1Cc1ccccc1 ZINC000532649577 886900232 /nfs/dbraw/zinc/90/02/32/886900232.db2.gz LCXFANQEMFHFOH-DENIHFKCSA-N 2 1 390.531 3.872 20 30 GHEDMP C=C(C)C[NH+]1CCC([NH2+]CC2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC000809614660 887588493 /nfs/dbraw/zinc/58/84/93/887588493.db2.gz SQOSCKNXUCWWIG-UHFFFAOYSA-N 2 1 385.552 3.665 20 30 GHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)CC1 ZINC000533089443 889754793 /nfs/dbraw/zinc/75/47/93/889754793.db2.gz KDGLMHQZUODLFT-WOJBJXKFSA-N 2 1 395.547 3.614 20 30 GHEDMP CO[C@@H]1CC[NH+](Cc2cc(C#N)cc(C[N@@H+]3CC[C@H](OC)C[C@H]3C)c2)[C@H](C)C1 ZINC000878554921 894379983 /nfs/dbraw/zinc/37/99/83/894379983.db2.gz MQDSYNZLIQMJDB-GGILJOMBSA-N 2 1 385.552 3.557 20 30 GHEDMP CO[C@@H]1CC[N@@H+](Cc2cc(C#N)cc(C[NH+]3CC[C@H](OC)C[C@H]3C)c2)[C@H](C)C1 ZINC000878554921 894379997 /nfs/dbraw/zinc/37/99/97/894379997.db2.gz MQDSYNZLIQMJDB-GGILJOMBSA-N 2 1 385.552 3.557 20 30 GHEDMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000600726351 902849226 /nfs/dbraw/zinc/84/92/26/902849226.db2.gz SOIBRNPMPFDTHP-BHIYHBOVSA-N 2 1 395.469 3.733 20 30 GHEDMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000600726351 902849240 /nfs/dbraw/zinc/84/92/40/902849240.db2.gz SOIBRNPMPFDTHP-BHIYHBOVSA-N 2 1 395.469 3.733 20 30 GHEDMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C2)CC1 ZINC000290580593 914741519 /nfs/dbraw/zinc/74/15/19/914741519.db2.gz UOKKLWUCMJFCEG-OAQYLSRUSA-N 2 1 377.536 3.627 20 30 GHEDMP C=CCOC(=O)N[C@@H]1CCC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171990722 905200414 /nfs/dbraw/zinc/20/04/14/905200414.db2.gz NFGAHYRHRUDGFR-RTWAWAEBSA-N 2 1 385.552 3.806 20 30 GHEDMP C=CCOC(=O)N[C@@H]1CCC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171990722 905200425 /nfs/dbraw/zinc/20/04/25/905200425.db2.gz NFGAHYRHRUDGFR-RTWAWAEBSA-N 2 1 385.552 3.806 20 30 GHEDMP C=CCOC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171990722 905200441 /nfs/dbraw/zinc/20/04/41/905200441.db2.gz NFGAHYRHRUDGFR-RTWAWAEBSA-N 2 1 385.552 3.806 20 30 GHEDMP C=CCOC(=O)N[C@@H]1CCC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171990722 905200460 /nfs/dbraw/zinc/20/04/60/905200460.db2.gz NFGAHYRHRUDGFR-RTWAWAEBSA-N 2 1 385.552 3.806 20 30 GHEDMP C[C@H](CCCC#N)[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCc2ccccn2)C1 ZINC001172496092 905597400 /nfs/dbraw/zinc/59/74/00/905597400.db2.gz XHGDCGOHNSRCQC-KIFXHHALSA-N 2 1 396.579 3.714 20 30 GHEDMP C[C@H](CCCC#N)[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1ccccn1 ZINC001172496092 905597412 /nfs/dbraw/zinc/59/74/12/905597412.db2.gz XHGDCGOHNSRCQC-KIFXHHALSA-N 2 1 396.579 3.714 20 30 GHEDMP C[C@H](CCCC#N)[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1ccccn1 ZINC001172496092 905597424 /nfs/dbraw/zinc/59/74/24/905597424.db2.gz XHGDCGOHNSRCQC-KIFXHHALSA-N 2 1 396.579 3.714 20 30 GHEDMP CCCCCCC[C@H](CCC)[N@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001172511571 905605336 /nfs/dbraw/zinc/60/53/36/905605336.db2.gz UFAKVHNNNWZOSE-SFHVURJKSA-N 2 1 392.588 3.853 20 30 GHEDMP C=CCOC1CCC([NH+]2CCC([NH2+]Cc3cccc(C(=O)OC)c3)CC2)CC1 ZINC001173325839 906374146 /nfs/dbraw/zinc/37/41/46/906374146.db2.gz QYSIESXDENTPOF-UHFFFAOYSA-N 2 1 386.536 3.541 20 30 GHEDMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](C1CCC(CC#N)CC1)CC2 ZINC001173336225 906380331 /nfs/dbraw/zinc/38/03/31/906380331.db2.gz SEIWAUAYEPHVAD-SDVLMSEASA-N 2 1 396.579 3.857 20 30 GHEDMP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC001175690588 907696957 /nfs/dbraw/zinc/69/69/57/907696957.db2.gz ZUVCAADYIRKVSR-FUHYEJFZSA-N 2 1 376.589 3.504 20 30 GHEDMP Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1C ZINC000185723415 907822900 /nfs/dbraw/zinc/82/29/00/907822900.db2.gz CKODEGHSKFAKON-SFTDATJTSA-N 2 1 396.579 3.793 20 30 GHEDMP Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1C ZINC000185723415 907822918 /nfs/dbraw/zinc/82/29/18/907822918.db2.gz CKODEGHSKFAKON-SFTDATJTSA-N 2 1 396.579 3.793 20 30 GHEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000190622312 908510001 /nfs/dbraw/zinc/51/00/01/908510001.db2.gz LIMWBCZTZGNTNM-GAJHUEQPSA-N 2 1 399.498 3.504 20 30 GHEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC001178827531 909249093 /nfs/dbraw/zinc/24/90/93/909249093.db2.gz PYMKIGAIKGEMLW-UHFFFAOYSA-N 2 1 388.515 3.593 20 30 GHEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC001178827531 909249104 /nfs/dbraw/zinc/24/91/04/909249104.db2.gz PYMKIGAIKGEMLW-UHFFFAOYSA-N 2 1 388.515 3.593 20 30 GHEDMP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H](c2ccc(C)cc2)[NH+](C)C)c1 ZINC000303863309 915223051 /nfs/dbraw/zinc/22/30/51/915223051.db2.gz AFQFHYAUYQZSDK-FQEVSTJZSA-N 2 1 384.524 3.822 20 30 GHEDMP CCC[N@H+](Cc1ccc(F)cc1C#N)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477264 919391506 /nfs/dbraw/zinc/39/15/06/919391506.db2.gz BIDXKRLEQYXQQJ-UHFFFAOYSA-N 2 1 381.499 3.985 20 30 GHEDMP CCC[N@@H+](Cc1ccc(F)cc1C#N)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477264 919391523 /nfs/dbraw/zinc/39/15/23/919391523.db2.gz BIDXKRLEQYXQQJ-UHFFFAOYSA-N 2 1 381.499 3.985 20 30 GHEDMP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCC(c3c[nH]cn3)CC2)c1 ZINC000374206484 926897854 /nfs/dbraw/zinc/89/78/54/926897854.db2.gz DZCDLUMHLAZVOE-SFHVURJKSA-N 2 1 379.508 3.541 20 30 GHEDMP C[C@@H]1C[N@H+](Cc2ccc(C[NH+](C)CCCC3(C#N)CCOCC3)cc2)C[C@H](C)O1 ZINC000930861787 934278204 /nfs/dbraw/zinc/27/82/04/934278204.db2.gz MCSZDEXEYDLUKE-OYRHEFFESA-N 2 1 399.579 3.828 20 30 GHEDMP C[C@@H]1C[NH+](Cc2ccc(C[N@H+](C)CCCC3(C#N)CCOCC3)cc2)C[C@H](C)O1 ZINC000930861787 934278207 /nfs/dbraw/zinc/27/82/07/934278207.db2.gz MCSZDEXEYDLUKE-OYRHEFFESA-N 2 1 399.579 3.828 20 30 GHEDMP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+](C)CCCC3(C#N)CCOCC3)cc2)C[C@H](C)O1 ZINC000930861787 934278208 /nfs/dbraw/zinc/27/82/08/934278208.db2.gz MCSZDEXEYDLUKE-OYRHEFFESA-N 2 1 399.579 3.828 20 30 GHEDMP N#Cc1cnc(Cl)cc1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001155357747 1032516417 /nfs/dbraw/zinc/51/64/17/1032516417.db2.gz JMFXHQLDKGAZOJ-IBGZPJMESA-N 2 1 395.938 3.520 20 30 GHEDMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4cccc(C#N)c4)CC3)C2)cc1 ZINC001203762027 1027583384 /nfs/dbraw/zinc/58/33/84/1027583384.db2.gz JVTGNPSLRVRMSV-UHFFFAOYSA-N 2 1 375.516 3.734 20 30 GHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)CC1 ZINC000842681956 1029487727 /nfs/dbraw/zinc/48/77/27/1029487727.db2.gz KQIKMXVDKFSKCQ-WSTZPKSXSA-N 2 1 377.573 3.652 20 30 GHEDMP COc1cc(C#N)ccc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001231618537 1034776018 /nfs/dbraw/zinc/77/60/18/1034776018.db2.gz NWGPISQAVVIWNK-VJBMBRPKSA-N 2 1 390.531 3.694 20 30 GHEDMP COc1cc(C#N)ccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001231618537 1034776031 /nfs/dbraw/zinc/77/60/31/1034776031.db2.gz NWGPISQAVVIWNK-VJBMBRPKSA-N 2 1 390.531 3.694 20 30 GHEDMP COc1cc(C#N)ccc1C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001231618537 1034776042 /nfs/dbraw/zinc/77/60/42/1034776042.db2.gz NWGPISQAVVIWNK-VJBMBRPKSA-N 2 1 390.531 3.694 20 30 GHEDMP COc1cc(C#N)ccc1C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001231618537 1034776054 /nfs/dbraw/zinc/77/60/54/1034776054.db2.gz NWGPISQAVVIWNK-VJBMBRPKSA-N 2 1 390.531 3.694 20 30 GHEDMP N#Cc1ccccc1O[C@@H]1CCC[N@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208954590 1035128023 /nfs/dbraw/zinc/12/80/23/1035128023.db2.gz WNISHYBBTHSCMK-JTHBVZDNSA-N 2 1 375.516 3.924 20 30 GHEDMP N#Cc1ccccc1O[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208954590 1035128030 /nfs/dbraw/zinc/12/80/30/1035128030.db2.gz WNISHYBBTHSCMK-JTHBVZDNSA-N 2 1 375.516 3.924 20 30 GHEDMP N#Cc1ccccc1O[C@@H]1CCC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208954590 1035128036 /nfs/dbraw/zinc/12/80/36/1035128036.db2.gz WNISHYBBTHSCMK-JTHBVZDNSA-N 2 1 375.516 3.924 20 30 GHEDMP N#Cc1ccccc1O[C@@H]1CCC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208954590 1035128044 /nfs/dbraw/zinc/12/80/44/1035128044.db2.gz WNISHYBBTHSCMK-JTHBVZDNSA-N 2 1 375.516 3.924 20 30 GHEDMP CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]C1(C[NH3+])CCC1 ZINC001246009918 1037131876 /nfs/dbraw/zinc/13/18/76/1037131876.db2.gz JOKFBNAHCCOYTD-OAQYLSRUSA-N 2 1 386.621 3.772 20 30 GHEDMP C=CCOC(=O)[C@H](CCCC[NH3+])[NH2+][C@H](C)CC(C)(C)SCc1ccco1 ZINC001246309507 1037288713 /nfs/dbraw/zinc/28/87/13/1037288713.db2.gz CKALFQRDTCFMIU-AEFFLSMTSA-N 2 1 382.570 3.886 20 30 GHEDMP C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@H]1CC[NH2+]C3(CCCCC3)C1)CC2 ZINC001246525770 1037458007 /nfs/dbraw/zinc/45/80/07/1037458007.db2.gz LHJHILNYPVMUMG-FQEVSTJZSA-N 2 1 389.584 3.942 20 30 GHEDMP C=CCOC(=O)N1CCCC2(CC[NH+]([C@@H]3CC[NH2+][C@H](c4ccccc4)C3)CC2)C1 ZINC001246527216 1037459816 /nfs/dbraw/zinc/45/98/16/1037459816.db2.gz SROIHFMXSOSIMM-YADHBBJMSA-N 2 1 397.563 3.980 20 30 GHEDMP C=CCN1CC[C@@]2(C[N@@H+](C3C[C@@H](CC)[NH2+][C@H](CC)C3)C[C@@H]2c2ccccc2)C1=O ZINC001246705180 1037558142 /nfs/dbraw/zinc/55/81/42/1037558142.db2.gz XLWAIFCRRKMATD-VLOWTAQSSA-N 2 1 395.591 3.800 20 30 GHEDMP COc1ccc(C[N@H+](Cc2c[nH]c3ccc(C#N)cc23)C2CC[NH2+]CC2)cc1F ZINC001236515684 1041748918 /nfs/dbraw/zinc/74/89/18/1041748918.db2.gz LKSKJNUTVLYTRR-UHFFFAOYSA-N 2 1 392.478 3.941 20 30 GHEDMP COc1ccc(C[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)C2CC[NH2+]CC2)cc1F ZINC001236515684 1041748925 /nfs/dbraw/zinc/74/89/25/1041748925.db2.gz LKSKJNUTVLYTRR-UHFFFAOYSA-N 2 1 392.478 3.941 20 30 GHEDMP C=CCN(CC[N@@H+](Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1)C(=O)OCC ZINC001236534257 1041755613 /nfs/dbraw/zinc/75/56/13/1041755613.db2.gz ULTOZQWUUQQLGE-WGSAOQKQSA-N 2 1 377.504 3.542 20 30 GHEDMP C#CCOc1ccc(C[N@@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)cc1OC ZINC001236681924 1041828343 /nfs/dbraw/zinc/82/83/43/1041828343.db2.gz LJSRYAWLMDXAHW-HZCBDIJESA-N 2 1 378.516 3.979 20 30 GHEDMP C=CCN1C(=O)CCC12CC[NH+]([C@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC001256544895 1043501353 /nfs/dbraw/zinc/50/13/53/1043501353.db2.gz PTIGSFYSNZIJGR-IRLDBZIGSA-N 2 1 381.564 3.683 20 30 GHEDMP C=CCN1C(=O)CCC12CC[NH+]([C@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC001256544895 1043501360 /nfs/dbraw/zinc/50/13/60/1043501360.db2.gz PTIGSFYSNZIJGR-IRLDBZIGSA-N 2 1 381.564 3.683 20 30 GHEDMP N#Cc1cccc(C[N@@H+](C2CCN(c3cc[nH+]cc3)CC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001256854400 1043703325 /nfs/dbraw/zinc/70/33/25/1043703325.db2.gz PMNCYUWREVVVSF-AFARHQOCSA-N 3 1 389.547 3.694 20 30 GHEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)C(C)C ZINC001467660768 1067404926 /nfs/dbraw/zinc/40/49/26/1067404926.db2.gz YKYVWRSEXPHNMZ-JTHBVZDNSA-N 2 1 398.595 3.773 20 30 GHEDMP Cc1ccc(CC#N)c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)[nH+]1 ZINC001164838985 720716146 /nfs/dbraw/zinc/71/61/46/720716146.db2.gz JTFWTLNLXUKAKS-QFIPXVFZSA-N 2 1 390.531 3.716 20 30 GHEDMP Cc1ccc(CC#N)c(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)[nH+]1 ZINC001164838985 720716153 /nfs/dbraw/zinc/71/61/53/720716153.db2.gz JTFWTLNLXUKAKS-QFIPXVFZSA-N 2 1 390.531 3.716 20 30 GHEDMP N#Cc1ccsc1NC(=O)CCN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000375750977 834599856 /nfs/dbraw/zinc/59/98/56/834599856.db2.gz POEARWYFILIPHR-QFIPXVFZSA-N 2 1 394.544 3.546 20 30 GHEDMP N#Cc1ccsc1NC(=O)CC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000375750977 834599865 /nfs/dbraw/zinc/59/98/65/834599865.db2.gz POEARWYFILIPHR-QFIPXVFZSA-N 2 1 394.544 3.546 20 30 GHEDMP N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000375750977 834599875 /nfs/dbraw/zinc/59/98/75/834599875.db2.gz POEARWYFILIPHR-QFIPXVFZSA-N 2 1 394.544 3.546 20 30 GHEDMP N#Cc1ccsc1NC(=O)CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000375750977 834599885 /nfs/dbraw/zinc/59/98/85/834599885.db2.gz POEARWYFILIPHR-QFIPXVFZSA-N 2 1 394.544 3.546 20 30 GHEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180053345 836963632 /nfs/dbraw/zinc/96/36/32/836963632.db2.gz NYFVRTHODNCAPC-KDURUIRLSA-N 2 1 379.552 3.806 20 30 GHEDMP Cc1ccc(C#N)cc1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000378016920 838289379 /nfs/dbraw/zinc/28/93/79/838289379.db2.gz GVXQZLAIUYHDDE-UHFFFAOYSA-N 2 1 397.567 3.527 20 30 GHEDMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000277096739 844619265 /nfs/dbraw/zinc/61/92/65/844619265.db2.gz GFVOWNWPKKAUSZ-SFHVURJKSA-N 2 1 399.514 3.632 20 30 GHEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000277096739 844619269 /nfs/dbraw/zinc/61/92/69/844619269.db2.gz GFVOWNWPKKAUSZ-SFHVURJKSA-N 2 1 399.514 3.632 20 30 GHEDMP N#Cc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1F ZINC000421385810 846201331 /nfs/dbraw/zinc/20/13/31/846201331.db2.gz RCAAFMAUKQLEPC-QFIPXVFZSA-N 2 1 393.506 3.716 20 30 GHEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000183142988 846379550 /nfs/dbraw/zinc/37/95/50/846379550.db2.gz YNMNUYLSAQTRFK-AWEZNQCLSA-N 2 1 377.448 3.552 20 30 GHEDMP O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000329637963 861859815 /nfs/dbraw/zinc/85/98/15/861859815.db2.gz VWCQLVCRKIEJLO-VQTJNVASSA-N 2 1 379.508 3.648 20 30 GHEDMP C=CCCn1cc(C[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000664836477 851836950 /nfs/dbraw/zinc/83/69/50/851836950.db2.gz KNACKHGKSIULEM-QHCPKHFHSA-N 2 1 393.579 3.977 20 30 GHEDMP C=CCCn1cc(C[N@@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000664836477 851836955 /nfs/dbraw/zinc/83/69/55/851836955.db2.gz KNACKHGKSIULEM-QHCPKHFHSA-N 2 1 393.579 3.977 20 30 GHEDMP C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506565557 853622860 /nfs/dbraw/zinc/62/28/60/853622860.db2.gz VPJUQNKOFYJXPK-QZNHQXDQSA-N 2 1 386.580 3.741 20 30 GHEDMP C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506565557 853622864 /nfs/dbraw/zinc/62/28/64/853622864.db2.gz VPJUQNKOFYJXPK-QZNHQXDQSA-N 2 1 386.580 3.741 20 30 GHEDMP C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506565557 853622866 /nfs/dbraw/zinc/62/28/66/853622866.db2.gz VPJUQNKOFYJXPK-QZNHQXDQSA-N 2 1 386.580 3.741 20 30 GHEDMP C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506565557 853622869 /nfs/dbraw/zinc/62/28/69/853622869.db2.gz VPJUQNKOFYJXPK-QZNHQXDQSA-N 2 1 386.580 3.741 20 30 GHEDMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000594447546 858179676 /nfs/dbraw/zinc/17/96/76/858179676.db2.gz YJJOJKSEIZXDAY-QYZOEREBSA-N 2 1 394.922 3.530 20 30 GHEDMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000594447546 858179680 /nfs/dbraw/zinc/17/96/80/858179680.db2.gz YJJOJKSEIZXDAY-QYZOEREBSA-N 2 1 394.922 3.530 20 30 GHEDMP Cn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000611497738 859785519 /nfs/dbraw/zinc/78/55/19/859785519.db2.gz FTYHQIAHNQFYKL-QFIPXVFZSA-N 2 1 399.542 3.961 20 30 GHEDMP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(C#N)cc3Cl)C2)ccn1 ZINC000856583603 881536996 /nfs/dbraw/zinc/53/69/96/881536996.db2.gz LIAGJNUUGLBZBK-HXUWFJFHSA-N 2 1 384.911 3.712 20 30 GHEDMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(C#N)cc3Cl)C2)ccn1 ZINC000856583603 881537176 /nfs/dbraw/zinc/53/71/76/881537176.db2.gz LIAGJNUUGLBZBK-HXUWFJFHSA-N 2 1 384.911 3.712 20 30 GHEDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3Cl)C2)ccn1 ZINC000856583603 881537357 /nfs/dbraw/zinc/53/73/57/881537357.db2.gz LIAGJNUUGLBZBK-HXUWFJFHSA-N 2 1 384.911 3.712 20 30 GHEDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3Cl)C2)ccn1 ZINC000856583603 881537573 /nfs/dbraw/zinc/53/75/73/881537573.db2.gz LIAGJNUUGLBZBK-HXUWFJFHSA-N 2 1 384.911 3.712 20 30 GHEDMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000598719736 860527813 /nfs/dbraw/zinc/52/78/13/860527813.db2.gz KTKTWMPOZRPCMO-BHIYHBOVSA-N 2 1 397.485 3.979 20 30 GHEDMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000598719736 860527819 /nfs/dbraw/zinc/52/78/19/860527819.db2.gz KTKTWMPOZRPCMO-BHIYHBOVSA-N 2 1 397.485 3.979 20 30 GHEDMP Cc1nnc(-c2cccc(C#N)c2)n1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000739857237 865803338 /nfs/dbraw/zinc/80/33/38/865803338.db2.gz KSQPEQGDCGOEGR-RXVVDRJESA-N 2 1 392.551 3.669 20 30 GHEDMP Cc1nnc(-c2cccc(C#N)c2)n1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000739857237 865803348 /nfs/dbraw/zinc/80/33/48/865803348.db2.gz KSQPEQGDCGOEGR-RXVVDRJESA-N 2 1 392.551 3.669 20 30 GHEDMP Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000739857237 865803350 /nfs/dbraw/zinc/80/33/50/865803350.db2.gz KSQPEQGDCGOEGR-RXVVDRJESA-N 2 1 392.551 3.669 20 30 GHEDMP Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000739857237 865803359 /nfs/dbraw/zinc/80/33/59/865803359.db2.gz KSQPEQGDCGOEGR-RXVVDRJESA-N 2 1 392.551 3.669 20 30 GHEDMP CC[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000609029835 865906379 /nfs/dbraw/zinc/90/63/79/865906379.db2.gz OJQWABLDEPQFHU-UHFFFAOYSA-N 2 1 378.520 3.517 20 30 GHEDMP CC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000609029835 865906387 /nfs/dbraw/zinc/90/63/87/865906387.db2.gz OJQWABLDEPQFHU-UHFFFAOYSA-N 2 1 378.520 3.517 20 30 GHEDMP N#Cc1ccc(C[NH+]2CCC(NC[C@@H](c3ccccc3)[NH+]3CCCC3)CC2)cc1 ZINC000181388423 870959291 /nfs/dbraw/zinc/95/92/91/870959291.db2.gz DZUIVRCWVCFTJH-VWLOTQADSA-N 2 1 388.559 3.949 20 30 GHEDMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000540707107 871946303 /nfs/dbraw/zinc/94/63/03/871946303.db2.gz OXHKCXIMSWVNSA-MBSDFSHPSA-N 2 1 380.511 3.727 20 30 GHEDMP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000859214685 883667148 /nfs/dbraw/zinc/66/71/48/883667148.db2.gz MERCVQHNZWQXJO-FQEVSTJZSA-N 2 1 392.547 3.824 20 30 GHEDMP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000859214685 883667157 /nfs/dbraw/zinc/66/71/57/883667157.db2.gz MERCVQHNZWQXJO-FQEVSTJZSA-N 2 1 392.547 3.824 20 30 GHEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]C[C@@H](O)c3ccc(C#N)cc3)cc2)C1 ZINC000763230225 888365234 /nfs/dbraw/zinc/36/52/34/888365234.db2.gz GMZJLBBSEZYWGC-YDIMBITNSA-N 2 1 377.532 3.859 20 30 GHEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000876888831 893373308 /nfs/dbraw/zinc/37/33/08/893373308.db2.gz GYEKALTVXKZRNQ-INIZCTEOSA-N 2 1 390.742 3.544 20 30 GHEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000815652544 894095726 /nfs/dbraw/zinc/09/57/26/894095726.db2.gz HPBJNFVAWJVABG-IBGZPJMESA-N 2 1 376.504 3.519 20 30 GHEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000815652544 894095741 /nfs/dbraw/zinc/09/57/41/894095741.db2.gz HPBJNFVAWJVABG-IBGZPJMESA-N 2 1 376.504 3.519 20 30 GHEDMP N#Cc1ccc(N2CCC([NH2+]C[C@@H]3CC[N@@H+](CCc4ccccc4)C3)CC2)cc1 ZINC000565132834 895413896 /nfs/dbraw/zinc/41/38/96/895413896.db2.gz GJXHWCJUZRMHQX-QHCPKHFHSA-N 2 1 388.559 3.681 20 30 GHEDMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)[C@H](C)C1 ZINC000571846756 899988369 /nfs/dbraw/zinc/98/83/69/899988369.db2.gz GTEXWFAXYMQWCG-DNVCBOLYSA-N 2 1 383.458 3.804 20 30 GHEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)[C@H](C)C1 ZINC000571846756 899988379 /nfs/dbraw/zinc/98/83/79/899988379.db2.gz GTEXWFAXYMQWCG-DNVCBOLYSA-N 2 1 383.458 3.804 20 30 GHEDMP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccc(C#N)cc3C(F)(F)F)CC2)C[C@H](C)O1 ZINC000576991800 902417132 /nfs/dbraw/zinc/41/71/32/902417132.db2.gz ORZJLVDVKSBAPQ-HOTGVXAUSA-N 2 1 395.469 3.898 20 30 GHEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)cc1 ZINC000577159681 902550697 /nfs/dbraw/zinc/55/06/97/902550697.db2.gz NMTURNGCIFNWFN-AUUYWEPGSA-N 2 1 391.500 3.570 20 30 GHEDMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccc(OCC#N)cc3)CC2)oc1C ZINC000181740176 907068125 /nfs/dbraw/zinc/06/81/25/907068125.db2.gz YEHADBWEEOHAOG-KRWDZBQOSA-N 2 1 382.508 3.757 20 30 GHEDMP CC(C)Oc1ccc(NC(=[NH2+])NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000303877567 915237109 /nfs/dbraw/zinc/23/71/09/915237109.db2.gz IRPKALVYPCJGPU-FQEVSTJZSA-N 2 1 380.536 3.765 20 30 GHEDMP C[C@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000305217394 916011998 /nfs/dbraw/zinc/01/19/98/916011998.db2.gz INONJCOBFSMNIK-CQSZACIVSA-N 2 1 392.425 3.759 20 30 GHEDMP C[C@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)[N@H+]1CCc2ccccc2C1 ZINC000305217394 916012013 /nfs/dbraw/zinc/01/20/13/916012013.db2.gz INONJCOBFSMNIK-CQSZACIVSA-N 2 1 392.425 3.759 20 30 GHEDMP C=CCn1c(CC[NH+]2CCCCC2)nn(C[NH+]2C[C@H]3CCCC[C@@H]3C2)c1=S ZINC000749975301 927380075 /nfs/dbraw/zinc/38/00/75/927380075.db2.gz HFCLFFNBGMRCQQ-RTBURBONSA-N 2 1 389.613 3.708 20 30 GHEDMP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000467759009 929379451 /nfs/dbraw/zinc/37/94/51/929379451.db2.gz LFYAGBGHFYNULS-TZIWHRDSSA-N 2 1 386.584 3.895 20 30 GHEDMP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@H+]2CC[C@@H](C(C)(C)C)C2)c1=S ZINC000784032293 931761589 /nfs/dbraw/zinc/76/15/89/931761589.db2.gz NKGBABNZACERHR-GOSISDBHSA-N 2 1 391.629 3.954 20 30 GHEDMP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@@H+]2CC[C@@H](C(C)(C)C)C2)c1=S ZINC000784032293 931761594 /nfs/dbraw/zinc/76/15/94/931761594.db2.gz NKGBABNZACERHR-GOSISDBHSA-N 2 1 391.629 3.954 20 30 GHEDMP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932949673 1018780608 /nfs/dbraw/zinc/78/06/08/1018780608.db2.gz PUSLRBVRECNSCO-GMTAPVOTSA-N 2 1 380.323 3.574 20 30 GHEDMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932949673 1018780616 /nfs/dbraw/zinc/78/06/16/1018780616.db2.gz PUSLRBVRECNSCO-GMTAPVOTSA-N 2 1 380.323 3.574 20 30 GHEDMP C[N@H+]1CC[C@H](CNC(=[NH2+])NCCc2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000305679201 1021166297 /nfs/dbraw/zinc/16/62/97/1021166297.db2.gz MJMBHPZCCVSFCZ-XLIONFOSSA-N 2 1 388.918 3.619 20 30 GHEDMP COC[C@@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+](Cc1cccc(C#N)c1)CC2 ZINC001203757253 1027580306 /nfs/dbraw/zinc/58/03/06/1027580306.db2.gz IRBUOSIDNRLDDX-FQEVSTJZSA-N 2 1 396.560 3.518 20 30 GHEDMP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](Cc1cccc(C#N)c1)CC2 ZINC001203757253 1027580314 /nfs/dbraw/zinc/58/03/14/1027580314.db2.gz IRBUOSIDNRLDDX-FQEVSTJZSA-N 2 1 396.560 3.518 20 30 GHEDMP N#Cc1ccc(Oc2ccc(C[N@H+]3CCOCC4(CC[NH2+]CC4)C3)cc2)cc1 ZINC001222407910 1030112602 /nfs/dbraw/zinc/11/26/02/1030112602.db2.gz RLLSODFRZUPBPX-UHFFFAOYSA-N 2 1 377.488 3.553 20 30 GHEDMP N#Cc1cccc(C2CC[NH+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)c1 ZINC001206716941 1033956831 /nfs/dbraw/zinc/95/68/31/1033956831.db2.gz LWTCEZIUVWYDAD-UHFFFAOYSA-N 2 1 375.516 3.770 20 30 GHEDMP C=CCCCCCCCCC[N@@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001207898785 1034643074 /nfs/dbraw/zinc/64/30/74/1034643074.db2.gz FEPSYBMWTQROHS-UHFFFAOYSA-N 2 1 390.572 3.631 20 30 GHEDMP C=CCCCCCCCCC[N@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001207898785 1034643078 /nfs/dbraw/zinc/64/30/78/1034643078.db2.gz FEPSYBMWTQROHS-UHFFFAOYSA-N 2 1 390.572 3.631 20 30 GHEDMP CN(CCC#N)c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)cc1 ZINC001231817724 1034927104 /nfs/dbraw/zinc/92/71/04/1034927104.db2.gz NERYNCLKAQRCKY-WOJBJXKFSA-N 2 1 380.561 3.662 20 30 GHEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+](C[C@@H]1CCC[NH+](Cc3ccccc3)C1)CC2 ZINC001208934172 1035098838 /nfs/dbraw/zinc/09/88/38/1035098838.db2.gz HWTQNLBPBFOUER-ZCYQVOJMSA-N 2 1 395.591 3.932 20 30 GHEDMP C=CCN1C(=O)CC[C@]12CCC[NH+](C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208934172 1035098848 /nfs/dbraw/zinc/09/88/48/1035098848.db2.gz HWTQNLBPBFOUER-ZCYQVOJMSA-N 2 1 395.591 3.932 20 30 GHEDMP C=CCN1C(=O)CC[C@]12CCC[NH+](C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208934172 1035098854 /nfs/dbraw/zinc/09/88/54/1035098854.db2.gz HWTQNLBPBFOUER-ZCYQVOJMSA-N 2 1 395.591 3.932 20 30 GHEDMP N#Cc1cccc(O[C@@H]2CCC[N@@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001208954994 1035127268 /nfs/dbraw/zinc/12/72/68/1035127268.db2.gz XOFCYHOZJBMLOH-LADGPHEKSA-N 2 1 375.516 3.924 20 30 GHEDMP N#Cc1cccc(O[C@@H]2CCC[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC001208954994 1035127275 /nfs/dbraw/zinc/12/72/75/1035127275.db2.gz XOFCYHOZJBMLOH-LADGPHEKSA-N 2 1 375.516 3.924 20 30 GHEDMP N#Cc1cccc(O[C@@H]2CCC[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC001208954994 1035127286 /nfs/dbraw/zinc/12/72/86/1035127286.db2.gz XOFCYHOZJBMLOH-LADGPHEKSA-N 2 1 375.516 3.924 20 30 GHEDMP COC(=O)c1ccc(C(=[NH2+])N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001246303705 1037286099 /nfs/dbraw/zinc/28/60/99/1037286099.db2.gz ICBCTTDQKTVKEB-KOUNCHBCSA-N 2 1 391.515 3.764 20 30 GHEDMP C=CCOC(=O)N1CCC2(CCC[N@H+]([C@@H]3C[C@@H](CC)[NH2+][C@@H](CC)C3)C2)CC1 ZINC001246525856 1037457095 /nfs/dbraw/zinc/45/70/95/1037457095.db2.gz LYWXDCFNGQCNKJ-ACDBMABISA-N 2 1 377.573 3.796 20 30 GHEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@H+]([C@@H]3CCN[C@H](c4ccccc4)C3)C2)C1 ZINC001246546885 1037473838 /nfs/dbraw/zinc/47/38/38/1037473838.db2.gz FGFFCHTVRZCZEI-FUPPJEDESA-N 2 1 383.536 3.590 20 30 GHEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+]([C@@H]3CC[NH2+][C@H](c4ccccc4)C3)C2)C1 ZINC001246546885 1037473855 /nfs/dbraw/zinc/47/38/55/1037473855.db2.gz FGFFCHTVRZCZEI-FUPPJEDESA-N 2 1 383.536 3.590 20 30 GHEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@H+]([C@@H]3CC[NH2+][C@H](c4ccccc4)C3)C2)C1 ZINC001246546885 1037473869 /nfs/dbraw/zinc/47/38/69/1037473869.db2.gz FGFFCHTVRZCZEI-FUPPJEDESA-N 2 1 383.536 3.590 20 30 GHEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@H+]([C@H]3CCN[C@H](c4ccccc4)C3)C2)C1 ZINC001246546900 1037474437 /nfs/dbraw/zinc/47/44/37/1037474437.db2.gz FGFFCHTVRZCZEI-QNWVGRARSA-N 2 1 383.536 3.590 20 30 GHEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+]([C@H]3CC[NH2+][C@H](c4ccccc4)C3)C2)C1 ZINC001246546900 1037474480 /nfs/dbraw/zinc/47/44/80/1037474480.db2.gz FGFFCHTVRZCZEI-QNWVGRARSA-N 2 1 383.536 3.590 20 30 GHEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@H+]([C@H]3CC[NH2+][C@H](c4ccccc4)C3)C2)C1 ZINC001246546900 1037474504 /nfs/dbraw/zinc/47/45/04/1037474504.db2.gz FGFFCHTVRZCZEI-QNWVGRARSA-N 2 1 383.536 3.590 20 30 GHEDMP COCCC[N@@H+](Cc1ccc(N(C)c2ccc(C#N)cc2)cc1)C1CC[NH2+]CC1 ZINC001235937821 1041443189 /nfs/dbraw/zinc/44/31/89/1041443189.db2.gz RCQTXPCYHRRLOC-UHFFFAOYSA-N 2 1 392.547 3.917 20 30 GHEDMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001235968991 1041473218 /nfs/dbraw/zinc/47/32/18/1041473218.db2.gz MWGOFRUNLHBGPZ-IBGZPJMESA-N 2 1 396.560 3.834 20 30 GHEDMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001235970022 1041475296 /nfs/dbraw/zinc/47/52/96/1041475296.db2.gz XMTJWGZFTLDBOM-HXUWFJFHSA-N 2 1 396.560 3.834 20 30 GHEDMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001236583632 1041767765 /nfs/dbraw/zinc/76/77/65/1041767765.db2.gz YYSAUWDMEHRPCA-FQEVSTJZSA-N 2 1 396.560 3.834 20 30 GHEDMP C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256521612 1043445510 /nfs/dbraw/zinc/44/55/10/1043445510.db2.gz ARGOIONPGFWCST-PTUXOGIPSA-N 2 1 391.559 3.534 20 30 GHEDMP C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256521612 1043445511 /nfs/dbraw/zinc/44/55/11/1043445511.db2.gz ARGOIONPGFWCST-PTUXOGIPSA-N 2 1 391.559 3.534 20 30 GHEDMP C=C1C[C@@H]2CC([N@H+]3CC[C@@H]4C[NH+](Cc5ccncc5)CCO[C@@H]4C3)C[C@H](C1)C2 ZINC001257893280 1044249251 /nfs/dbraw/zinc/24/92/51/1044249251.db2.gz PPCGRGFSRXCFDD-ZVFPPSPPSA-N 2 1 381.564 3.739 20 30 GHEDMP C=C1C[C@@H]2CC([NH+]3CC[C@@H]4C[N@H+](Cc5ccncc5)CCO[C@@H]4C3)C[C@H](C1)C2 ZINC001257893280 1044249257 /nfs/dbraw/zinc/24/92/57/1044249257.db2.gz PPCGRGFSRXCFDD-ZVFPPSPPSA-N 2 1 381.564 3.739 20 30 GHEDMP C=C1C[C@@H]2CC([NH+]3CC[C@@H]4C[N@@H+](Cc5ccncc5)CCO[C@@H]4C3)C[C@H](C1)C2 ZINC001257893280 1044249269 /nfs/dbraw/zinc/24/92/69/1044249269.db2.gz PPCGRGFSRXCFDD-ZVFPPSPPSA-N 2 1 381.564 3.739 20 30 GHEDMP N#Cc1c(N)sc(C[NH2+][C@@]23CC[C@@]([NH2+]Cc4ccc[nH]4)(C2)CCC3)c1Cl ZINC001279370157 1047783589 /nfs/dbraw/zinc/78/35/89/1047783589.db2.gz IGORMCSUKGUZFP-MOPGFXCFSA-N 2 1 389.956 3.908 20 30 GHEDMP COc1cccc([C@H](CNC(=[NH+]Cc2ccccc2)N(C)C)[NH+]2CCCC2)c1 ZINC000849054327 1057564852 /nfs/dbraw/zinc/56/48/52/1057564852.db2.gz FVFXBQYJRUFSMV-QFIPXVFZSA-N 2 1 380.536 3.540 20 30 GHEDMP Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](CC(=O)NC4CC[NH+](C5CC5)CC4)C3)nc2c1 ZINC000329281861 861245006 /nfs/dbraw/zinc/24/50/06/861245006.db2.gz KTHISSOOVZBTBL-QGZVFWFLSA-N 2 1 395.551 3.634 20 30 GHEDMP Cc1ccc2nc([C@@H]3CCC[N@H+](CC(=O)NC4CC[NH+](C5CC5)CC4)C3)[nH]c2c1 ZINC000329281861 861245157 /nfs/dbraw/zinc/24/51/57/861245157.db2.gz KTHISSOOVZBTBL-QGZVFWFLSA-N 2 1 395.551 3.634 20 30 GHEDMP Cc1ccc2nc([C@@H]3CCC[N@@H+](CC(=O)NC4CC[NH+](C5CC5)CC4)C3)[nH]c2c1 ZINC000329281861 861245173 /nfs/dbraw/zinc/24/51/73/861245173.db2.gz KTHISSOOVZBTBL-QGZVFWFLSA-N 2 1 395.551 3.634 20 30 GHEDMP CC[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000599659775 861491787 /nfs/dbraw/zinc/49/17/87/861491787.db2.gz IUOLNCALYAZIFM-UHFFFAOYSA-N 2 1 375.476 3.692 20 30 GHEDMP CC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000599659775 861491801 /nfs/dbraw/zinc/49/18/01/861491801.db2.gz IUOLNCALYAZIFM-UHFFFAOYSA-N 2 1 375.476 3.692 20 30 GHEDMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000438449189 852412882 /nfs/dbraw/zinc/41/28/82/852412882.db2.gz BGXXEESSDWBAKC-WMZHIEFXSA-N 2 1 390.531 3.872 20 30 GHEDMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000438449189 852412886 /nfs/dbraw/zinc/41/28/86/852412886.db2.gz BGXXEESSDWBAKC-WMZHIEFXSA-N 2 1 390.531 3.872 20 30 GHEDMP C[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2cccc(C#N)c2)CC[NH+]1Cc1ccccc1 ZINC000438449189 852412893 /nfs/dbraw/zinc/41/28/93/852412893.db2.gz BGXXEESSDWBAKC-WMZHIEFXSA-N 2 1 390.531 3.872 20 30 GHEDMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2cccc(C#N)c2)CC[NH+]1Cc1ccccc1 ZINC000438449189 852412901 /nfs/dbraw/zinc/41/29/01/852412901.db2.gz BGXXEESSDWBAKC-WMZHIEFXSA-N 2 1 390.531 3.872 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+]C2(C)CC[NH2+]CC2)cc1OCC ZINC000414942204 852742812 /nfs/dbraw/zinc/74/28/12/852742812.db2.gz MIERDJVVSVYLDF-UHFFFAOYSA-N 2 1 383.330 3.644 20 30 GHEDMP C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000765781657 854813745 /nfs/dbraw/zinc/81/37/45/854813745.db2.gz WHOHKTDCTBDTMY-GOSISDBHSA-N 2 1 379.976 3.742 20 30 GHEDMP CCC[N@H+](Cc1cc(F)ccc1C#N)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000160399513 858870725 /nfs/dbraw/zinc/87/07/25/858870725.db2.gz VCQRBTRFNZLTHA-UHFFFAOYSA-N 2 1 381.499 3.985 20 30 GHEDMP CCC[N@@H+](Cc1cc(F)ccc1C#N)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000160399513 858870731 /nfs/dbraw/zinc/87/07/31/858870731.db2.gz VCQRBTRFNZLTHA-UHFFFAOYSA-N 2 1 381.499 3.985 20 30 GHEDMP C=CCOc1ccccc1C[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856553586 881381933 /nfs/dbraw/zinc/38/19/33/881381933.db2.gz DCQSXJYMXVDCHF-JOCHJYFZSA-N 2 1 381.520 3.751 20 30 GHEDMP C=CCOc1ccccc1C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856553586 881381949 /nfs/dbraw/zinc/38/19/49/881381949.db2.gz DCQSXJYMXVDCHF-JOCHJYFZSA-N 2 1 381.520 3.751 20 30 GHEDMP C=CCOc1ccccc1C[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856553586 881381979 /nfs/dbraw/zinc/38/19/79/881381979.db2.gz DCQSXJYMXVDCHF-JOCHJYFZSA-N 2 1 381.520 3.751 20 30 GHEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000602718355 860228978 /nfs/dbraw/zinc/22/89/78/860228978.db2.gz NIQNJKLIEMBZQO-IFMALSPDSA-N 2 1 381.564 3.977 20 30 GHEDMP Cc1ccc([C@H](CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)[NH+](C)C)cc1 ZINC000181623883 871292010 /nfs/dbraw/zinc/29/20/10/871292010.db2.gz NWFOCLSVEYYDSJ-DEOSSOPVSA-N 2 1 376.548 3.724 20 30 GHEDMP CC[N@@H+](C)Cc1cccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000181696684 871400855 /nfs/dbraw/zinc/40/08/55/871400855.db2.gz YZNSEAWLKCDMBG-UHFFFAOYSA-N 2 1 376.548 3.764 20 30 GHEDMP CN(CCC#N)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000103174009 871419885 /nfs/dbraw/zinc/41/98/85/871419885.db2.gz VVMUPOVQYHOWLH-QHCPKHFHSA-N 2 1 376.548 3.691 20 30 GHEDMP C=CCSc1ccccc1NC(=O)C[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000057847331 881121447 /nfs/dbraw/zinc/12/14/47/881121447.db2.gz YELYRQWMFVKSCU-UHFFFAOYSA-N 2 1 375.582 3.957 20 30 GHEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000564844564 895278852 /nfs/dbraw/zinc/27/88/52/895278852.db2.gz JEKYTMQSVNEGOP-LOSJGSFVSA-N 2 1 394.559 3.702 20 30 GHEDMP C=C(C)COc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)ccc1OC ZINC000180996976 906892775 /nfs/dbraw/zinc/89/27/75/906892775.db2.gz HPOKZQYSBWXIAY-JOCHJYFZSA-N 2 1 396.531 3.507 20 30 GHEDMP C#CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000246808807 910658079 /nfs/dbraw/zinc/65/80/79/910658079.db2.gz ALWIUWOQNJIQRT-WOJBJXKFSA-N 2 1 378.516 3.770 20 30 GHEDMP C#CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000246808807 910658085 /nfs/dbraw/zinc/65/80/85/910658085.db2.gz ALWIUWOQNJIQRT-WOJBJXKFSA-N 2 1 378.516 3.770 20 30 GHEDMP CC(C)Oc1ccc(NC(=[NH2+])NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000303903542 915305433 /nfs/dbraw/zinc/30/54/33/915305433.db2.gz YLPDUFMJYRFNQJ-SFHVURJKSA-N 2 1 396.535 3.621 20 30 GHEDMP CC(C)Oc1ccc(NC(=[NH2+])NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000303903542 915305453 /nfs/dbraw/zinc/30/54/53/915305453.db2.gz YLPDUFMJYRFNQJ-SFHVURJKSA-N 2 1 396.535 3.621 20 30 GHEDMP C=CCOc1c(Br)cc(C[N@H+](CCC)C2CC[NH2+]CC2)cc1OC ZINC000470019298 930319197 /nfs/dbraw/zinc/31/91/97/930319197.db2.gz SHZUKPCXBLJZGM-UHFFFAOYSA-N 2 1 397.357 3.987 20 30 GHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H]([C@H]2C)N3C(=O)OC(C)(C)C)CC1 ZINC000924989980 931604397 /nfs/dbraw/zinc/60/43/97/931604397.db2.gz WOYKHFCQJWJXTJ-NBYUQASBSA-N 2 1 377.573 3.793 20 30 GHEDMP COc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c(C#N)c1 ZINC001137706915 935736719 /nfs/dbraw/zinc/73/67/19/935736719.db2.gz WKIGGQLJPCNWIP-FGZHOGPDSA-N 2 1 375.516 3.911 20 30 GHEDMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944659 1018774947 /nfs/dbraw/zinc/77/49/47/1018774947.db2.gz ZWDZVKBGDVSAMI-IJLUTSLNSA-N 2 1 394.350 3.964 20 30 GHEDMP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944659 1018774964 /nfs/dbraw/zinc/77/49/64/1018774964.db2.gz ZWDZVKBGDVSAMI-IJLUTSLNSA-N 2 1 394.350 3.964 20 30 GHEDMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccccc1C#N)CC2 ZINC001204371008 1032812317 /nfs/dbraw/zinc/81/23/17/1032812317.db2.gz QRXOYFCAWYQEPX-QHCPKHFHSA-N 2 1 375.516 3.814 20 30 GHEDMP C[N@H+]1CC[C@@H](CNC(=[NH2+])NCCc2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000305679200 1021166090 /nfs/dbraw/zinc/16/60/90/1021166090.db2.gz MJMBHPZCCVSFCZ-PXNSSMCTSA-N 2 1 388.918 3.619 20 30 GHEDMP C#CCOc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)cc1 ZINC001138557806 1025020516 /nfs/dbraw/zinc/02/05/16/1025020516.db2.gz GZARLSYZOPPUCA-UHFFFAOYSA-N 2 1 390.527 3.566 20 30 GHEDMP N#CCc1cccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1F ZINC001162935540 1025972085 /nfs/dbraw/zinc/97/20/85/1025972085.db2.gz RZJHHIJDBVJAEX-NRFANRHFSA-N 2 1 392.522 3.805 20 30 GHEDMP CCC[NH+](CCC)[C@H]1CCc2cccc(O[C@@H]3C[C@@H]4[C@H]5O[C@H]5[C@H](C3)[N@H+]4C)c2C1 ZINC001229648034 1033615156 /nfs/dbraw/zinc/61/51/56/1033615156.db2.gz PZFWETQINGNHNO-YGPVHKFASA-N 2 1 384.564 3.657 20 30 GHEDMP CCC[NH+](CCC)[C@H]1CCc2cccc(O[C@@H]3C[C@@H]4[C@H]5O[C@H]5[C@H](C3)[N@@H+]4C)c2C1 ZINC001229648034 1033615168 /nfs/dbraw/zinc/61/51/68/1033615168.db2.gz PZFWETQINGNHNO-YGPVHKFASA-N 2 1 384.564 3.657 20 30 GHEDMP CCCCCCCCCCCCOCCOC[C@@H](O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC001246042572 1037156828 /nfs/dbraw/zinc/15/68/28/1037156828.db2.gz CMHNTRJYYFDYNW-YADHBBJMSA-N 2 1 386.621 3.582 20 30 GHEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H](C)CCc1ccc2cc(OC)ccc2c1 ZINC001246303119 1037285153 /nfs/dbraw/zinc/28/51/53/1037285153.db2.gz GZXWUTYCWVEKOA-MBSDFSHPSA-N 2 1 398.547 3.986 20 30 GHEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246303028 1037285507 /nfs/dbraw/zinc/28/55/07/1037285507.db2.gz GMLFXYJLUINJMS-YJBOKZPZSA-N 2 1 385.335 3.667 20 30 GHEDMP C=CCOC(=O)N1CCC2(CC1)CC[NH+](C1C[C@@H](CC)[NH2+][C@H](CC)C1)CC2 ZINC001246526548 1037459014 /nfs/dbraw/zinc/45/90/14/1037459014.db2.gz PADNLEZWHDEEEN-RTBURBONSA-N 2 1 377.573 3.796 20 30 GHEDMP C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@@H]1CC[NH2+][C@H](c3ccccc3)C1)CC2 ZINC001246527197 1037461991 /nfs/dbraw/zinc/46/19/91/1037461991.db2.gz SQEKXBAQRPWCSX-YADHBBJMSA-N 2 1 397.563 3.980 20 30 GHEDMP COc1ccc(C[N@@H+]([C@@H](C)Cc2cccc(C#N)c2)C2CC[NH2+]CC2)cc1F ZINC001246957523 1037771545 /nfs/dbraw/zinc/77/15/45/1037771545.db2.gz BKSFPUVOSANCOH-KRWDZBQOSA-N 2 1 381.495 3.891 20 30 GHEDMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4ccc(C#N)s4)CC3)C2)cc1 ZINC001232843032 1038593308 /nfs/dbraw/zinc/59/33/08/1038593308.db2.gz HWPIKBNTMZUYRS-UHFFFAOYSA-N 2 1 381.545 3.795 20 30 GHEDMP CCCCCCCC[C@H](O)C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COC)C1 ZINC001252126250 1038875769 /nfs/dbraw/zinc/87/57/69/1038875769.db2.gz OIAGCGCIMYLOOV-VABKMULXSA-N 2 1 380.617 3.778 20 30 GHEDMP CCCCCCCC[C@H](O)C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001252126250 1038875794 /nfs/dbraw/zinc/87/57/94/1038875794.db2.gz OIAGCGCIMYLOOV-VABKMULXSA-N 2 1 380.617 3.778 20 30 GHEDMP CCCCCCCC[C@H](O)C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001252126250 1038875816 /nfs/dbraw/zinc/87/58/16/1038875816.db2.gz OIAGCGCIMYLOOV-VABKMULXSA-N 2 1 380.617 3.778 20 30 GHEDMP CC(NCc1cccc(C[NH3+])c1)=[NH+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255135559 1040836964 /nfs/dbraw/zinc/83/69/64/1040836964.db2.gz JYYJZQRSKZNHBC-JOZNFPNDSA-N 3 1 376.548 3.849 20 30 GHEDMP CCOC(=O)[C@H]1CCC[C@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255348159 1040954204 /nfs/dbraw/zinc/95/42/04/1040954204.db2.gz BNMVDNYLQLTZRU-CMOCDZPBSA-N 2 1 383.536 3.752 20 30 GHEDMP N#Cc1cc(F)c(CN2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c(F)c1 ZINC001235654216 1041099237 /nfs/dbraw/zinc/09/92/37/1041099237.db2.gz LTYQKJJFIZQUMD-UHFFFAOYSA-N 2 1 382.458 3.720 20 30 GHEDMP N#Cc1cc(F)c(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c(F)c1 ZINC001235654216 1041099258 /nfs/dbraw/zinc/09/92/58/1041099258.db2.gz LTYQKJJFIZQUMD-UHFFFAOYSA-N 2 1 382.458 3.720 20 30 GHEDMP N#Cc1cc(F)c(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c(F)c1 ZINC001235654216 1041099289 /nfs/dbraw/zinc/09/92/89/1041099289.db2.gz LTYQKJJFIZQUMD-UHFFFAOYSA-N 2 1 382.458 3.720 20 30 GHEDMP CC(=O)n1ccc2cc(C[C@@H](C)[NH2+]C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)cc(C#N)c21 ZINC001255671979 1041204090 /nfs/dbraw/zinc/20/40/90/1041204090.db2.gz SQQSDUKBWDXLQM-JDXMOABCSA-N 2 1 378.520 3.709 20 30 GHEDMP CC(=O)n1ccc2cc(C[C@@H](C)[NH2+]C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)cc(C#N)c21 ZINC001255671979 1041204105 /nfs/dbraw/zinc/20/41/05/1041204105.db2.gz SQQSDUKBWDXLQM-JDXMOABCSA-N 2 1 378.520 3.709 20 30 GHEDMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001235968993 1041473786 /nfs/dbraw/zinc/47/37/86/1041473786.db2.gz MWGOFRUNLHBGPZ-LJQANCHMSA-N 2 1 396.560 3.834 20 30 GHEDMP N#Cc1c(N)sc(C[N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)c1Cl ZINC001236382949 1041691689 /nfs/dbraw/zinc/69/16/89/1041691689.db2.gz QHUNOSAODXNGDK-UHFFFAOYSA-N 2 1 392.931 3.996 20 30 GHEDMP C#CCOc1ccc(C[N@H+](Cc2ccccc2OC)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236710351 1041847248 /nfs/dbraw/zinc/84/72/48/1041847248.db2.gz PTKRVPNALCFYRN-HZCBDIJESA-N 2 1 378.516 3.979 20 30 GHEDMP C=CCOC(=O)N1CCC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256535308 1043475689 /nfs/dbraw/zinc/47/56/89/1043475689.db2.gz FAACQWLAPAQWCI-DENIHFKCSA-N 2 1 385.552 3.664 20 30 GHEDMP C=CCOC(=O)N1CCC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256535308 1043475705 /nfs/dbraw/zinc/47/57/05/1043475705.db2.gz FAACQWLAPAQWCI-DENIHFKCSA-N 2 1 385.552 3.664 20 30 GHEDMP N#Cc1cccc([C@H](O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC001307522777 1049366265 /nfs/dbraw/zinc/36/62/65/1049366265.db2.gz CIHNQGCPUDSYDS-RBZQAINGSA-N 2 1 375.516 3.578 20 30 GHEDMP N#Cc1cccc([C@H](O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC001307522777 1049366276 /nfs/dbraw/zinc/36/62/76/1049366276.db2.gz CIHNQGCPUDSYDS-RBZQAINGSA-N 2 1 375.516 3.578 20 30 GHEDMP N#Cc1cccc([C@H](O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC001307522777 1049366290 /nfs/dbraw/zinc/36/62/90/1049366290.db2.gz CIHNQGCPUDSYDS-RBZQAINGSA-N 2 1 375.516 3.578 20 30 GHEDMP N#Cc1cccc([C@H](O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC001307522777 1049366303 /nfs/dbraw/zinc/36/63/03/1049366303.db2.gz CIHNQGCPUDSYDS-RBZQAINGSA-N 2 1 375.516 3.578 20 30 GHEDMP COc1ccccc1[C@H](CNC(=[NH+]Cc1ccccc1)N(C)C)[NH+]1CCCC1 ZINC000849057324 1057569184 /nfs/dbraw/zinc/56/91/84/1057569184.db2.gz IZVFVHNIONHCFL-NRFANRHFSA-N 2 1 380.536 3.540 20 30 GHEDMP N#CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001342063147 1061034133 /nfs/dbraw/zinc/03/41/33/1061034133.db2.gz LOUUFPZEYNUQGJ-OEMFJLHTSA-N 2 1 375.516 3.979 20 30 GHEDMP COc1ccc(C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1C#N ZINC001474294526 1074329132 /nfs/dbraw/zinc/32/91/32/1074329132.db2.gz PXQFBLKYHUXMGE-PUHATCMVSA-N 2 1 375.516 3.957 20 30 GHEDMP CCC[N@H+](Cc1cc(C#N)ccc1OC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000121594365 843302982 /nfs/dbraw/zinc/30/29/82/843302982.db2.gz GSWDTFTUWDTRDV-UHFFFAOYSA-N 2 1 393.535 3.855 20 30 GHEDMP CCC[N@@H+](Cc1cc(C#N)ccc1OC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000121594365 843302992 /nfs/dbraw/zinc/30/29/92/843302992.db2.gz GSWDTFTUWDTRDV-UHFFFAOYSA-N 2 1 393.535 3.855 20 30 GHEDMP Cc1cc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000542102982 843970766 /nfs/dbraw/zinc/97/07/66/843970766.db2.gz ORZCWMYDGPDPDN-UHFFFAOYSA-N 2 1 387.443 3.645 20 30 GHEDMP C=CCOc1c(Br)cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1OC ZINC000262025272 851269557 /nfs/dbraw/zinc/26/95/57/851269557.db2.gz NMBZHLJMSGLAMU-UHFFFAOYSA-N 2 1 395.341 3.598 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1OCC ZINC000414944583 852772734 /nfs/dbraw/zinc/77/27/34/852772734.db2.gz HBJLIQKSHSOLDH-DZGCQCFKSA-N 2 1 383.330 3.643 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1OCC ZINC000414953254 852861211 /nfs/dbraw/zinc/86/12/11/852861211.db2.gz JMOBBJDLPDQZHS-XJKSGUPXSA-N 2 1 383.330 3.500 20 30 GHEDMP COc1cc(C#N)ccc1OCC[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000248399453 855078808 /nfs/dbraw/zinc/07/88/08/855078808.db2.gz OVGOMPPXMVATJZ-HROJSSOGSA-N 2 1 393.531 3.692 20 30 GHEDMP C=C(C)C[NH+]1CCC(NC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000106260495 855203370 /nfs/dbraw/zinc/20/33/70/855203370.db2.gz LFOAYCOWYGATPY-FQEVSTJZSA-N 2 1 398.595 3.901 20 30 GHEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000330218079 862669719 /nfs/dbraw/zinc/66/97/19/862669719.db2.gz OJDTUUZCFLEUMK-XLIONFOSSA-N 2 1 386.584 3.710 20 30 GHEDMP N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)nc1 ZINC000591037628 855731156 /nfs/dbraw/zinc/73/11/56/855731156.db2.gz DECDJQUBOZGYMS-JOCHJYFZSA-N 2 1 376.504 3.592 20 30 GHEDMP C=CCOc1c(Br)cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1OCC ZINC000442928025 858234709 /nfs/dbraw/zinc/23/47/09/858234709.db2.gz PCGVIHKOEZSZNV-OAHLLOKOSA-N 2 1 397.357 3.973 20 30 GHEDMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(C4(C#N)CC4)cc3)c2)CCO1 ZINC000594918086 858304439 /nfs/dbraw/zinc/30/44/39/858304439.db2.gz PHPAHRRPAQJSOV-IBGZPJMESA-N 2 1 375.516 3.752 20 30 GHEDMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(C4(C#N)CC4)cc3)c2)CCO1 ZINC000594918086 858304444 /nfs/dbraw/zinc/30/44/44/858304444.db2.gz PHPAHRRPAQJSOV-IBGZPJMESA-N 2 1 375.516 3.752 20 30 GHEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000602718361 860229178 /nfs/dbraw/zinc/22/91/78/860229178.db2.gz NIQNJKLIEMBZQO-RBBKRZOGSA-N 2 1 381.564 3.977 20 30 GHEDMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000598719739 860527964 /nfs/dbraw/zinc/52/79/64/860527964.db2.gz KTKTWMPOZRPCMO-QRQLOZEOSA-N 2 1 397.485 3.979 20 30 GHEDMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000598719739 860527970 /nfs/dbraw/zinc/52/79/70/860527970.db2.gz KTKTWMPOZRPCMO-QRQLOZEOSA-N 2 1 397.485 3.979 20 30 GHEDMP CC[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)N1CC[C@@H](c2ccccc2)C1 ZINC000262447626 864468377 /nfs/dbraw/zinc/46/83/77/864468377.db2.gz JCSFPWVEIYYXLD-OAQYLSRUSA-N 2 1 388.519 3.531 20 30 GHEDMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cc(C#N)ccc2OC)CC1 ZINC000181630607 871293027 /nfs/dbraw/zinc/29/30/27/871293027.db2.gz YGHRZETXABVGTG-KRWDZBQOSA-N 2 1 396.510 3.699 20 30 GHEDMP Cc1cccc(N(CCC#N)C(=O)C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)c1C ZINC001197194946 873645461 /nfs/dbraw/zinc/64/54/61/873645461.db2.gz ZJDYWHFADBPRHU-UHFFFAOYSA-N 2 1 398.595 3.850 20 30 GHEDMP CCCCCCCCC[N@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001201847536 875902210 /nfs/dbraw/zinc/90/22/10/875902210.db2.gz WZEXGJMEKFITOX-DHIUTWEWSA-N 2 1 379.633 3.998 20 30 GHEDMP CCCCCCCCC[N@@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001201847536 875902223 /nfs/dbraw/zinc/90/22/23/875902223.db2.gz WZEXGJMEKFITOX-DHIUTWEWSA-N 2 1 379.633 3.998 20 30 GHEDMP CCCCCCCCC[N@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001201847536 875902225 /nfs/dbraw/zinc/90/22/25/875902225.db2.gz WZEXGJMEKFITOX-DHIUTWEWSA-N 2 1 379.633 3.998 20 30 GHEDMP CCCCCCCCCC[NH+]1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001201874824 875918450 /nfs/dbraw/zinc/91/84/50/875918450.db2.gz HZDHAUUSCNQBMX-UHFFFAOYSA-N 2 1 395.632 3.630 20 30 GHEDMP C=CCOc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1Cl ZINC000537662034 883060749 /nfs/dbraw/zinc/06/07/49/883060749.db2.gz XZJWLCBREWLCKL-LJQANCHMSA-N 2 1 377.960 3.505 20 30 GHEDMP C=CCOc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1Cl ZINC000537662034 883060770 /nfs/dbraw/zinc/06/07/70/883060770.db2.gz XZJWLCBREWLCKL-LJQANCHMSA-N 2 1 377.960 3.505 20 30 GHEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000122162793 878410868 /nfs/dbraw/zinc/41/08/68/878410868.db2.gz NFWWUTWKRPRPBZ-KRWDZBQOSA-N 2 1 381.524 3.581 20 30 GHEDMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000532554354 886040954 /nfs/dbraw/zinc/04/09/54/886040954.db2.gz ITLKPMKFPZUXPR-XMMPIXPASA-N 2 1 388.559 3.827 20 30 GHEDMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000532554354 886040972 /nfs/dbraw/zinc/04/09/72/886040972.db2.gz ITLKPMKFPZUXPR-XMMPIXPASA-N 2 1 388.559 3.827 20 30 GHEDMP C=CCc1cc(OC)cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1O ZINC000794668346 887714412 /nfs/dbraw/zinc/71/44/12/887714412.db2.gz SXGWJIMBKUTDTD-SZPZYZBQSA-N 2 1 378.516 3.693 20 30 GHEDMP C=CCc1cc(OC)cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1O ZINC000794668346 887714419 /nfs/dbraw/zinc/71/44/19/887714419.db2.gz SXGWJIMBKUTDTD-SZPZYZBQSA-N 2 1 378.516 3.693 20 30 GHEDMP C=CCc1cc(OC)cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1O ZINC000794668346 887714423 /nfs/dbraw/zinc/71/44/23/887714423.db2.gz SXGWJIMBKUTDTD-SZPZYZBQSA-N 2 1 378.516 3.693 20 30 GHEDMP C=CCSc1ccccc1NC(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123546411 889326270 /nfs/dbraw/zinc/32/62/70/889326270.db2.gz CCDWAPJDCFGOPG-UHFFFAOYSA-N 2 1 375.582 3.957 20 30 GHEDMP C=CC[NH+]1CCC([NH2+]C[C@@](C)(O)c2ccc(Br)cc2Cl)CC1 ZINC000819022544 896354956 /nfs/dbraw/zinc/35/49/56/896354956.db2.gz QTBNFFUIXWBZIH-QGZVFWFLSA-N 2 1 387.749 3.550 20 30 GHEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3)C(C)C ZINC001144204485 901283070 /nfs/dbraw/zinc/28/30/70/901283070.db2.gz QYXBFCDOZYTSMW-HSZRJFAPSA-N 2 1 394.563 3.584 20 30 GHEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3)C(C)C ZINC001144204485 901283084 /nfs/dbraw/zinc/28/30/84/901283084.db2.gz QYXBFCDOZYTSMW-HSZRJFAPSA-N 2 1 394.563 3.584 20 30 GHEDMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccc(C#N)cc3C(F)(F)F)CC2)C[C@H](C)O1 ZINC000576991802 902416847 /nfs/dbraw/zinc/41/68/47/902416847.db2.gz ORZJLVDVKSBAPQ-IYBDPMFKSA-N 2 1 395.469 3.898 20 30 GHEDMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc(C#N)cc3C(F)(F)F)CC2)C[C@H](C)O1 ZINC000576991802 902416854 /nfs/dbraw/zinc/41/68/54/902416854.db2.gz ORZJLVDVKSBAPQ-IYBDPMFKSA-N 2 1 395.469 3.898 20 30 GHEDMP COc1ccc(CC[NH+]2CCC([NH2+][C@H](C)Cc3ccc(C#N)cc3)CC2)cc1 ZINC001172300377 905483820 /nfs/dbraw/zinc/48/38/20/905483820.db2.gz UVZRXHDGJMMXJO-LJQANCHMSA-N 2 1 377.532 3.795 20 30 GHEDMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)CC1 ZINC001173111976 906201834 /nfs/dbraw/zinc/20/18/34/906201834.db2.gz OLYMUAJINJODGO-SLXFGWRHSA-N 2 1 394.563 3.640 20 30 GHEDMP CCOC(=O)C[C@H]1CC[C@@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173634554 906585635 /nfs/dbraw/zinc/58/56/35/906585635.db2.gz VQNYROMSZDIAOS-MYGLTJDJSA-N 2 1 383.536 3.752 20 30 GHEDMP Cn1cc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180154676 906704006 /nfs/dbraw/zinc/70/40/06/906704006.db2.gz MDRIPRYDRSJFBQ-UHFFFAOYSA-N 2 1 377.536 3.703 20 30 GHEDMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3ccc(OCC#N)cc3)cc2)CC1 ZINC000181518338 907018240 /nfs/dbraw/zinc/01/82/40/907018240.db2.gz YFSRAKFATADDHS-FQEVSTJZSA-N 2 1 392.547 3.577 20 30 GHEDMP COc1cc(C#N)ccc1OCC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000303890156 915290967 /nfs/dbraw/zinc/29/09/67/915290967.db2.gz RVQDRSNINVXIDV-UHFFFAOYSA-N 2 1 393.531 3.790 20 30 GHEDMP COc1ccc(NC(=[NH2+])NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1OC ZINC000303896203 915300863 /nfs/dbraw/zinc/30/08/63/915300863.db2.gz PVAYZZBPVNELBC-KRWDZBQOSA-N 2 1 396.535 3.863 20 30 GHEDMP CC[NH+](CC)[C@@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)c1cccc(OC)c1 ZINC000304479040 915516454 /nfs/dbraw/zinc/51/64/54/915516454.db2.gz IUICZDNHELXXDL-SFTDATJTSA-N 2 1 396.535 3.506 20 30 GHEDMP C[C@@H]1CCC[N@@H+](CCCCNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000304491562 915524783 /nfs/dbraw/zinc/52/47/83/915524783.db2.gz NZBMRPULIIQOKA-OAHLLOKOSA-N 2 1 386.462 3.502 20 30 GHEDMP Cc1nc(C[NH+]2CCC(CNC(=[NH2+])N[C@@H](C)CCCC(C)C)CC2)oc1C ZINC000304742217 915668904 /nfs/dbraw/zinc/66/89/04/915668904.db2.gz CNGAMSRYVPNGHX-INIZCTEOSA-N 2 1 377.577 3.623 20 30 GHEDMP CCc1nc(C[NH+]2CCC(CNC(=[NH2+])Nc3cccc(CC)c3)CC2)cs1 ZINC000304739945 915669293 /nfs/dbraw/zinc/66/92/93/915669293.db2.gz BKJXXAZLJKPSAC-UHFFFAOYSA-N 2 1 385.581 3.907 20 30 GHEDMP C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000926573906 932231941 /nfs/dbraw/zinc/23/19/41/932231941.db2.gz QKWUVXUTJAXMHK-RBUKOAKNSA-N 2 1 392.588 3.627 20 30 GHEDMP N#CC1(CCCC[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CCC1 ZINC000930453768 934053117 /nfs/dbraw/zinc/05/31/17/934053117.db2.gz BFHZFXRYPFAGDF-QHCPKHFHSA-N 2 1 380.580 3.743 20 30 GHEDMP N#Cc1cc(F)ccc1CN1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001141163617 1023989970 /nfs/dbraw/zinc/98/99/70/1023989970.db2.gz MLJXYWOTHLXTPK-UHFFFAOYSA-N 2 1 385.508 3.626 20 30 GHEDMP N#Cc1cc(F)ccc1CN1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001141163617 1023989974 /nfs/dbraw/zinc/98/99/74/1023989974.db2.gz MLJXYWOTHLXTPK-UHFFFAOYSA-N 2 1 385.508 3.626 20 30 GHEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccc(-n4cc[nH+]c4C)cc3)C2)C1 ZINC001138542313 1024984788 /nfs/dbraw/zinc/98/47/88/1024984788.db2.gz COUCGGAXYDJULL-HSZRJFAPSA-N 2 1 394.519 3.791 20 30 GHEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@H+](Cc3ccc(-n4cc[nH+]c4C)cc3)C2)C1 ZINC001138542313 1024984791 /nfs/dbraw/zinc/98/47/91/1024984791.db2.gz COUCGGAXYDJULL-HSZRJFAPSA-N 2 1 394.519 3.791 20 30 GHEDMP C=C(C)COc1ccccc1CN1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001138661270 1025180506 /nfs/dbraw/zinc/18/05/06/1025180506.db2.gz RBTOKHBEEYMREO-ISKFKSNPSA-N 2 1 384.564 3.822 20 30 GHEDMP C=C(C)COc1ccccc1C[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001138661270 1025180511 /nfs/dbraw/zinc/18/05/11/1025180511.db2.gz RBTOKHBEEYMREO-ISKFKSNPSA-N 2 1 384.564 3.822 20 30 GHEDMP C=C(C)COc1ccccc1C[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001138661270 1025180520 /nfs/dbraw/zinc/18/05/20/1025180520.db2.gz RBTOKHBEEYMREO-ISKFKSNPSA-N 2 1 384.564 3.822 20 30 GHEDMP C=C(C)COc1ccccc1C[N@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001138661270 1025180524 /nfs/dbraw/zinc/18/05/24/1025180524.db2.gz RBTOKHBEEYMREO-ISKFKSNPSA-N 2 1 384.564 3.822 20 30 GHEDMP C=C(C)COc1ccccc1C[N@@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001138661270 1025180532 /nfs/dbraw/zinc/18/05/32/1025180532.db2.gz RBTOKHBEEYMREO-ISKFKSNPSA-N 2 1 384.564 3.822 20 30 GHEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)[C@@H]2CC ZINC001138770526 1025338100 /nfs/dbraw/zinc/33/81/00/1025338100.db2.gz IVKIHQRWELXQQY-VWNXMTODSA-N 2 1 399.579 3.549 20 30 GHEDMP N#Cc1ccc(CN2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)cc1F ZINC001139527467 1026384130 /nfs/dbraw/zinc/38/41/30/1026384130.db2.gz CQDJIZDUTVJZEM-UPVQGACJSA-N 2 1 397.538 3.658 20 30 GHEDMP N#Cc1ccccc1C[C@H]([NH3+])C(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC001218849973 1031114862 /nfs/dbraw/zinc/11/48/62/1031114862.db2.gz YJEPLWWXUHJOGE-DEOSSOPVSA-N 2 1 396.494 3.583 20 30 GHEDMP N#Cc1ccccc1C[C@H]([NH3+])C(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001218849973 1031114873 /nfs/dbraw/zinc/11/48/73/1031114873.db2.gz YJEPLWWXUHJOGE-DEOSSOPVSA-N 2 1 396.494 3.583 20 30 GHEDMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(F)c(C#N)c1)CC2 ZINC001205472914 1033428106 /nfs/dbraw/zinc/42/81/06/1033428106.db2.gz LIBXMZPHHIQXOP-JOCHJYFZSA-N 2 1 393.506 3.953 20 30 GHEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208942406 1035111546 /nfs/dbraw/zinc/11/15/46/1035111546.db2.gz QCHSPKKUTJKEOD-UPVQGACJSA-N 2 1 381.564 3.542 20 30 GHEDMP C=CCN1C(=O)CCC[C@@]12CCC[NH+](C[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208942406 1035111553 /nfs/dbraw/zinc/11/15/53/1035111553.db2.gz QCHSPKKUTJKEOD-UPVQGACJSA-N 2 1 381.564 3.542 20 30 GHEDMP C=CCN1C(=O)CCC[C@@]12CCC[NH+](C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208942406 1035111558 /nfs/dbraw/zinc/11/15/58/1035111558.db2.gz QCHSPKKUTJKEOD-UPVQGACJSA-N 2 1 381.564 3.542 20 30 GHEDMP C=CCOC[C@H]1CCC[C@@]12C[N@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)CCO2 ZINC001208952414 1035125373 /nfs/dbraw/zinc/12/53/73/1035125373.db2.gz SBZILGPEOIFVRX-WXFUMESZSA-N 2 1 384.564 3.582 20 30 GHEDMP C=CCOC[C@H]1CCC[C@@]12C[N@@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)CCO2 ZINC001208952414 1035125377 /nfs/dbraw/zinc/12/53/77/1035125377.db2.gz SBZILGPEOIFVRX-WXFUMESZSA-N 2 1 384.564 3.582 20 30 GHEDMP C=CCOC[C@H]1CCC[C@@]12C[NH+](C[C@@H]1CC[N@H+](Cc3ccccc3)C1)CCO2 ZINC001208952414 1035125379 /nfs/dbraw/zinc/12/53/79/1035125379.db2.gz SBZILGPEOIFVRX-WXFUMESZSA-N 2 1 384.564 3.582 20 30 GHEDMP C=CCOC[C@H]1CCC[C@@]12C[NH+](C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CCO2 ZINC001208952414 1035125383 /nfs/dbraw/zinc/12/53/83/1035125383.db2.gz SBZILGPEOIFVRX-WXFUMESZSA-N 2 1 384.564 3.582 20 30 GHEDMP C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@@H]1CC[NH2+][C@H](CCCC)C1)CC2 ZINC001246525804 1037456696 /nfs/dbraw/zinc/45/66/96/1037456696.db2.gz LHQPCKKCKMTCSE-WOJBJXKFSA-N 2 1 377.573 3.798 20 30 GHEDMP C=CCCCCCC[C@H](O)C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC001253236372 1039491678 /nfs/dbraw/zinc/49/16/78/1039491678.db2.gz SOWHITOXZJTWNU-UNMCSNQZSA-N 2 1 394.600 3.613 20 30 GHEDMP C=CCCCCCC[C@H](O)C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC001253236372 1039491685 /nfs/dbraw/zinc/49/16/85/1039491685.db2.gz SOWHITOXZJTWNU-UNMCSNQZSA-N 2 1 394.600 3.613 20 30 GHEDMP C=CCOC(=O)N[C@H]1CCC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255150441 1040867217 /nfs/dbraw/zinc/86/72/17/1040867217.db2.gz UXRFCGLJAWXHCE-KJJMTIBFSA-N 2 1 383.536 3.559 20 30 GHEDMP C=CCOC(=O)N[C@H]1CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255150441 1040867226 /nfs/dbraw/zinc/86/72/26/1040867226.db2.gz UXRFCGLJAWXHCE-KJJMTIBFSA-N 2 1 383.536 3.559 20 30 GHEDMP C=CCOC(=O)N[C@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255150441 1040867229 /nfs/dbraw/zinc/86/72/29/1040867229.db2.gz UXRFCGLJAWXHCE-KJJMTIBFSA-N 2 1 383.536 3.559 20 30 GHEDMP C=CCOC(=O)N[C@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255150441 1040867239 /nfs/dbraw/zinc/86/72/39/1040867239.db2.gz UXRFCGLJAWXHCE-KJJMTIBFSA-N 2 1 383.536 3.559 20 30 GHEDMP C=CCOC(=O)N1CC2(C1)CC[NH+]([C@H]1CCC[N@@H+](Cc3ccccc3)CC1)CC2 ZINC001255398239 1040983913 /nfs/dbraw/zinc/98/39/13/1040983913.db2.gz IXKFUWLFCIMSHM-QFIPXVFZSA-N 2 1 397.563 3.762 20 30 GHEDMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+]1CCC(Oc2ccc(C#N)c(Cl)c2)CC1 ZINC001235968564 1041473025 /nfs/dbraw/zinc/47/30/25/1041473025.db2.gz IRJSSSWUYNNORM-GUYCJALGSA-N 2 1 383.870 3.546 20 30 GHEDMP COc1ccc(C[N@H+](Cc2cn(C)c3ccc(C#N)cc23)C2CC[NH2+]CC2)cc1 ZINC001236445707 1041716113 /nfs/dbraw/zinc/71/61/13/1041716113.db2.gz DOARJFBMHWMGRB-UHFFFAOYSA-N 2 1 388.515 3.813 20 30 GHEDMP COc1ccc(C[N@@H+](Cc2cn(C)c3ccc(C#N)cc23)C2CC[NH2+]CC2)cc1 ZINC001236445707 1041716117 /nfs/dbraw/zinc/71/61/17/1041716117.db2.gz DOARJFBMHWMGRB-UHFFFAOYSA-N 2 1 388.515 3.813 20 30 GHEDMP C[NH+]1CCN(c2cc(C[NH+]3CCC(c4ccc(C#N)cc4)CC3)ccc2F)CC1 ZINC001236969286 1041972799 /nfs/dbraw/zinc/97/27/99/1041972799.db2.gz XVRVXMHSAKZMNT-UHFFFAOYSA-N 2 1 392.522 3.829 20 30 GHEDMP C[NH+]=C(NCc1cc(F)ccc1F)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000262427101 834922133 /nfs/dbraw/zinc/92/21/33/834922133.db2.gz RTSZGCIYRSLNHV-LIRRHRJNSA-N 2 1 392.519 3.774 20 30 GHEDMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)CC1 ZINC000180001357 836568703 /nfs/dbraw/zinc/56/87/03/836568703.db2.gz AMANNNLPBLITGZ-NRFANRHFSA-N 2 1 391.563 3.903 20 30 GHEDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)CC1 ZINC000180001357 836568712 /nfs/dbraw/zinc/56/87/12/836568712.db2.gz AMANNNLPBLITGZ-NRFANRHFSA-N 2 1 391.563 3.903 20 30 GHEDMP N#Cc1ccc2ncc(C[NH2+][C@@H]3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)n2c1 ZINC000585767403 842278883 /nfs/dbraw/zinc/27/88/83/842278883.db2.gz XKGSBPFZPXMTDP-YMPZKCBVSA-N 2 1 385.515 3.596 20 30 GHEDMP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000072097329 846430933 /nfs/dbraw/zinc/43/09/33/846430933.db2.gz JGSYTCKNWKVRNF-IBGZPJMESA-N 2 1 390.531 3.729 20 30 GHEDMP C=C(C)COc1cc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)ccc1OC ZINC000657594946 848289144 /nfs/dbraw/zinc/28/91/44/848289144.db2.gz LMGUVJSTUXAMAL-QFIPXVFZSA-N 2 1 396.531 3.507 20 30 GHEDMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCC(=O)Nc3cccc(C#N)c3)C2)s1 ZINC000571407474 853870981 /nfs/dbraw/zinc/87/09/81/853870981.db2.gz AKFSYUJMWABUEF-IBGZPJMESA-N 2 1 396.560 3.711 20 30 GHEDMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCC(=O)Nc3cccc(C#N)c3)C2)s1 ZINC000571407474 853870987 /nfs/dbraw/zinc/87/09/87/853870987.db2.gz AKFSYUJMWABUEF-IBGZPJMESA-N 2 1 396.560 3.711 20 30 GHEDMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCC(=O)Nc3cccc(C#N)c3)C2)s1 ZINC000571407474 853870993 /nfs/dbraw/zinc/87/09/93/853870993.db2.gz AKFSYUJMWABUEF-IBGZPJMESA-N 2 1 396.560 3.711 20 30 GHEDMP CC[NH+](CC)CC1CC[NH+](CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000507965637 856743262 /nfs/dbraw/zinc/74/32/62/856743262.db2.gz CCHBGGROEXMQHT-UHFFFAOYSA-N 2 1 380.536 3.791 20 30 GHEDMP N#CC1(c2ccccc2)CCC([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000595066092 858369284 /nfs/dbraw/zinc/36/92/84/858369284.db2.gz BWWINGABFUWDIP-BQCMWAFGSA-N 2 1 389.543 3.747 20 30 GHEDMP C=CCOc1cccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)CC)c3)C2)c1 ZINC000856555902 881403120 /nfs/dbraw/zinc/40/31/20/881403120.db2.gz TXSIPNCQWNZJSE-HSZRJFAPSA-N 2 1 381.520 3.751 20 30 GHEDMP C=CCOc1cccc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)CC)c3)C2)c1 ZINC000856555902 881403169 /nfs/dbraw/zinc/40/31/69/881403169.db2.gz TXSIPNCQWNZJSE-HSZRJFAPSA-N 2 1 381.520 3.751 20 30 GHEDMP C=CCOc1cccc(C[N@@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)CC)c3)C2)c1 ZINC000856555902 881403239 /nfs/dbraw/zinc/40/32/39/881403239.db2.gz TXSIPNCQWNZJSE-HSZRJFAPSA-N 2 1 381.520 3.751 20 30 GHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OCc3ccncc3)c(OC)c2)CC1 ZINC000106245508 859587227 /nfs/dbraw/zinc/58/72/27/859587227.db2.gz SNKNWZTZMYPAPE-UHFFFAOYSA-N 2 1 381.520 3.799 20 30 GHEDMP N#Cc1cccc(C[NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000602509486 860082627 /nfs/dbraw/zinc/08/26/27/860082627.db2.gz HJDRRRKZGJZTBL-UHFFFAOYSA-N 2 1 397.526 3.565 20 30 GHEDMP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(C#N)cc3Cl)C2)ccn1 ZINC000856583602 881551714 /nfs/dbraw/zinc/55/17/14/881551714.db2.gz LIAGJNUUGLBZBK-FQEVSTJZSA-N 2 1 384.911 3.712 20 30 GHEDMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(C#N)cc3Cl)C2)ccn1 ZINC000856583602 881551736 /nfs/dbraw/zinc/55/17/36/881551736.db2.gz LIAGJNUUGLBZBK-FQEVSTJZSA-N 2 1 384.911 3.712 20 30 GHEDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc(C#N)cc3Cl)C2)ccn1 ZINC000856583602 881551744 /nfs/dbraw/zinc/55/17/44/881551744.db2.gz LIAGJNUUGLBZBK-FQEVSTJZSA-N 2 1 384.911 3.712 20 30 GHEDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3Cl)C2)ccn1 ZINC000856583602 881551759 /nfs/dbraw/zinc/55/17/59/881551759.db2.gz LIAGJNUUGLBZBK-FQEVSTJZSA-N 2 1 384.911 3.712 20 30 GHEDMP CCOCCC[N@H+]1CC[C@H](/[NH+]=C/c2ccc(N(CC)CC)cc2O)[C@H](C)C1 ZINC000734366227 864178423 /nfs/dbraw/zinc/17/84/23/864178423.db2.gz JMFXYIVBYVJVMK-MIBGBWTDSA-N 2 1 375.557 3.794 20 30 GHEDMP C[NH+]=C(NCc1ccc(F)cc1F)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000262470194 864822467 /nfs/dbraw/zinc/82/24/67/864822467.db2.gz WTEFMCQXYOGTQQ-HNAYVOBHSA-N 2 1 392.519 3.774 20 30 GHEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCCCC2)cc1 ZINC000183139837 866267504 /nfs/dbraw/zinc/26/75/04/866267504.db2.gz PBXHRVYZKCGPRJ-DLBZAZTESA-N 2 1 379.508 3.563 20 30 GHEDMP N#Cc1ccc2ncc(C[NH+]3CCC4(CC[N@@H+](Cc5ccccc5)C4)CC3)n2c1 ZINC000538763252 870605155 /nfs/dbraw/zinc/60/51/55/870605155.db2.gz QEUFQDFDIYJEAO-UHFFFAOYSA-N 2 1 385.515 3.694 20 30 GHEDMP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000619508440 872694300 /nfs/dbraw/zinc/69/43/00/872694300.db2.gz WJSIRSRDSSUURA-ZEQRLZLVSA-N 2 1 375.516 3.552 20 30 GHEDMP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000619508440 872694305 /nfs/dbraw/zinc/69/43/05/872694305.db2.gz WJSIRSRDSSUURA-ZEQRLZLVSA-N 2 1 375.516 3.552 20 30 GHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)CC1 ZINC000152939823 872994219 /nfs/dbraw/zinc/99/42/19/872994219.db2.gz HFYWVTQCOCBVKH-OAHLLOKOSA-N 2 1 394.357 3.796 20 30 GHEDMP Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1C ZINC000551908403 878005744 /nfs/dbraw/zinc/00/57/44/878005744.db2.gz MTDVWMNIGMBXTE-UHFFFAOYSA-N 2 1 384.568 3.602 20 30 GHEDMP N#Cc1ccsc1N1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)C1=O ZINC000530961782 878808270 /nfs/dbraw/zinc/80/82/70/878808270.db2.gz ZFNRVVGGGGFGNL-HXUWFJFHSA-N 2 1 394.544 3.501 20 30 GHEDMP C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](C3CCC([NH+](CC)CC)CC3)C2)C1 ZINC001173107996 906194251 /nfs/dbraw/zinc/19/42/51/906194251.db2.gz ALAHHOYIGQBGJR-AOMIVXANSA-N 2 1 377.573 3.750 20 30 GHEDMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](C1CCC(CC#N)CC1)CC2 ZINC001173336224 906379299 /nfs/dbraw/zinc/37/92/99/906379299.db2.gz SEIWAUAYEPHVAD-IQWMQGJTSA-N 2 1 396.579 3.857 20 30 GHEDMP COc1ccc(NC(=[NH2+])NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)cc1Cl ZINC000303973401 915344587 /nfs/dbraw/zinc/34/45/87/915344587.db2.gz GTXQQYDVALSHPD-INIZCTEOSA-N 2 1 376.888 3.814 20 30 GHEDMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@H](Oc3ccccc3C#N)C2)cc1 ZINC001138772907 1025343464 /nfs/dbraw/zinc/34/34/64/1025343464.db2.gz IYZHAJDHYGIZCL-QFIPXVFZSA-N 2 1 379.504 3.542 20 30 GHEDMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cc(F)cc(C#N)c1)CC2 ZINC001139877489 1026693186 /nfs/dbraw/zinc/69/31/86/1026693186.db2.gz LFBWKIMRBGDBKB-HXUWFJFHSA-N 2 1 383.467 3.546 20 30 GHEDMP N#Cc1cccc(C[N@@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1 ZINC001222577439 1030206650 /nfs/dbraw/zinc/20/66/50/1030206650.db2.gz ZRNFOACEENNMBE-HSZRJFAPSA-N 2 1 375.516 3.862 20 30 GHEDMP N#Cc1cccc(C[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1 ZINC001222577439 1030206667 /nfs/dbraw/zinc/20/66/67/1030206667.db2.gz ZRNFOACEENNMBE-HSZRJFAPSA-N 2 1 375.516 3.862 20 30 GHEDMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(F)c(C#N)c1)CC2 ZINC001205467077 1033425555 /nfs/dbraw/zinc/42/55/55/1033425555.db2.gz HXUSTNATZCLGAD-LJQANCHMSA-N 2 1 383.467 3.546 20 30 GHEDMP C=CCN1C(=O)CC[C@@]12CCC[N@@H+](C[C@H]1CCC[NH+](Cc3ccccc3)C1)CC2 ZINC001208934161 1035098991 /nfs/dbraw/zinc/09/89/91/1035098991.db2.gz HWTQNLBPBFOUER-ILBGXUMGSA-N 2 1 395.591 3.932 20 30 GHEDMP C=CCN1C(=O)CC[C@@]12CCC[NH+](C[C@H]1CCC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208934161 1035099000 /nfs/dbraw/zinc/09/90/00/1035099000.db2.gz HWTQNLBPBFOUER-ILBGXUMGSA-N 2 1 395.591 3.932 20 30 GHEDMP C=CCN1C(=O)CC[C@@]12CCC[NH+](C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208934161 1035099006 /nfs/dbraw/zinc/09/90/06/1035099006.db2.gz HWTQNLBPBFOUER-ILBGXUMGSA-N 2 1 395.591 3.932 20 30 GHEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246303025 1037285539 /nfs/dbraw/zinc/28/55/39/1037285539.db2.gz GMLFXYJLUINJMS-QAPCUYQASA-N 2 1 385.335 3.667 20 30 GHEDMP C=CCOC(=O)N1CCC(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)CC1 ZINC001246468595 1037420675 /nfs/dbraw/zinc/42/06/75/1037420675.db2.gz ZGYQHICHYKSWSG-CTNGQTDRSA-N 2 1 389.515 3.551 20 30 GHEDMP C=CCOC(=O)N1CCC2(CCC[N@H+]([C@H]3CC[NH2+]C4(CCCCC4)C3)C2)CC1 ZINC001246524492 1037454658 /nfs/dbraw/zinc/45/46/58/1037454658.db2.gz FIGCSMYVOFBNSQ-FQEVSTJZSA-N 2 1 389.584 3.942 20 30 GHEDMP C=CCCCCCC[C@@H](O)C[NH2+][C@H]1CC[C@H](N2CC[NH+](CC3CC3)CC2)CC1 ZINC001253250933 1039503125 /nfs/dbraw/zinc/50/31/25/1039503125.db2.gz FXQTUCJGKRMHON-WXFUMESZSA-N 2 1 391.644 3.802 20 30 GHEDMP CC(NCc1cccc(C[NH3+])c1)=[NH+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255135558 1040835313 /nfs/dbraw/zinc/83/53/13/1040835313.db2.gz JYYJZQRSKZNHBC-BKFWDETESA-N 3 1 376.548 3.849 20 30 GHEDMP C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255382582 1040972740 /nfs/dbraw/zinc/97/27/40/1040972740.db2.gz DHLMFBHSWRABGZ-XZOQPEGZSA-N 2 1 391.559 3.536 20 30 GHEDMP C[NH+]1CCC([NH2+]Cc2ccc(-c3cccc(Oc4ccnc(C#N)n4)c3)cc2)CC1 ZINC001256197174 1041642252 /nfs/dbraw/zinc/64/22/52/1041642252.db2.gz AEBLZIVDMKJQCA-UHFFFAOYSA-N 2 1 399.498 3.991 20 30 GHEDMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001236583633 1041767598 /nfs/dbraw/zinc/76/75/98/1041767598.db2.gz YYSAUWDMEHRPCA-HXUWFJFHSA-N 2 1 396.560 3.834 20 30 GHEDMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1cn3cc(C#N)ccc3n1)CC2 ZINC001237605124 1042278890 /nfs/dbraw/zinc/27/88/90/1042278890.db2.gz VMDJNLFRGYBFAY-OAQYLSRUSA-N 2 1 389.503 3.676 20 30 GHEDMP N#Cc1ccc2nc(C[N@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)cn2c1 ZINC001237612294 1042280811 /nfs/dbraw/zinc/28/08/11/1042280811.db2.gz UYHVNGWDSBDWSR-FGZHOGPDSA-N 2 1 385.515 3.550 20 30 GHEDMP N#Cc1ccc2nc(C[NH+]3CC[C@@H]4C[N@H+](Cc5ccccc5)CC[C@@H]4C3)cn2c1 ZINC001237612294 1042280814 /nfs/dbraw/zinc/28/08/14/1042280814.db2.gz UYHVNGWDSBDWSR-FGZHOGPDSA-N 2 1 385.515 3.550 20 30 GHEDMP N#Cc1ccc2nc(C[NH+]3CC[C@@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)cn2c1 ZINC001237612294 1042280817 /nfs/dbraw/zinc/28/08/17/1042280817.db2.gz UYHVNGWDSBDWSR-FGZHOGPDSA-N 2 1 385.515 3.550 20 30 GHEDMP C=CCN1C(=O)CCC12CC[NH+]([C@@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC001256544894 1043504259 /nfs/dbraw/zinc/50/42/59/1043504259.db2.gz PTIGSFYSNZIJGR-IFMALSPDSA-N 2 1 381.564 3.683 20 30 GHEDMP C=CCN1C(=O)CCC12CC[NH+]([C@@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC001256544894 1043504268 /nfs/dbraw/zinc/50/42/68/1043504268.db2.gz PTIGSFYSNZIJGR-IFMALSPDSA-N 2 1 381.564 3.683 20 30 GHEDMP N#Cc1ccc(C2CCC([N@H+]3CCc4onc(Cn5ccnc5)c4C3)CC2)cc1 ZINC001257018203 1043803281 /nfs/dbraw/zinc/80/32/81/1043803281.db2.gz KSCARHMTNWDWFX-UHFFFAOYSA-N 2 1 387.487 3.876 20 30 GHEDMP C#CCOc1ccc(Br)cc1C[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001308339167 1049952643 /nfs/dbraw/zinc/95/26/43/1049952643.db2.gz XCUJQLPPIFVKDQ-QGZVFWFLSA-N 2 1 393.369 3.919 20 30 GHEDMP C#CCOc1ccc(Br)cc1C[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001308339167 1049952645 /nfs/dbraw/zinc/95/26/45/1049952645.db2.gz XCUJQLPPIFVKDQ-QGZVFWFLSA-N 2 1 393.369 3.919 20 30 GHEDMP N#Cc1cccc(OCC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC001459653247 1064156046 /nfs/dbraw/zinc/15/60/46/1064156046.db2.gz HKSVTBANHXEBLI-UPVQGACJSA-N 2 1 375.516 3.924 20 30 GHEDMP N#Cc1cccc(OCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC001459653247 1064156048 /nfs/dbraw/zinc/15/60/48/1064156048.db2.gz HKSVTBANHXEBLI-UPVQGACJSA-N 2 1 375.516 3.924 20 30 GHEDMP N#Cc1cccc(OCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC001459653247 1064156049 /nfs/dbraw/zinc/15/60/49/1064156049.db2.gz HKSVTBANHXEBLI-UPVQGACJSA-N 2 1 375.516 3.924 20 30 GHEDMP N#Cc1cccc(OCC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC001459653247 1064156052 /nfs/dbraw/zinc/15/60/52/1064156052.db2.gz HKSVTBANHXEBLI-UPVQGACJSA-N 2 1 375.516 3.924 20 30 GHEDMP Cc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1C ZINC000728572246 834771390 /nfs/dbraw/zinc/77/13/90/834771390.db2.gz VDVGQURLSIWJBP-UHFFFAOYSA-N 2 1 384.568 3.602 20 30 GHEDMP C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000685442351 835012174 /nfs/dbraw/zinc/01/21/74/835012174.db2.gz LZGCGEFMWBPEKP-UHFFFAOYSA-N 2 1 397.563 3.881 20 30 GHEDMP C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000685442351 835012186 /nfs/dbraw/zinc/01/21/86/835012186.db2.gz LZGCGEFMWBPEKP-UHFFFAOYSA-N 2 1 397.563 3.881 20 30 GHEDMP COc1cc(C#N)ccc1OCC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179397417 835674210 /nfs/dbraw/zinc/67/42/10/835674210.db2.gz BTNLNPWYMFOCMC-UHFFFAOYSA-N 2 1 394.519 3.579 20 30 GHEDMP C[C@H](C(=O)Nc1ccccc1C#N)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000245966818 835754526 /nfs/dbraw/zinc/75/45/26/835754526.db2.gz DUAXAYIKMFZVSL-RBUKOAKNSA-N 2 1 382.552 3.862 20 30 GHEDMP C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000245966818 835754532 /nfs/dbraw/zinc/75/45/32/835754532.db2.gz DUAXAYIKMFZVSL-RBUKOAKNSA-N 2 1 382.552 3.862 20 30 GHEDMP C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000245966818 835754540 /nfs/dbraw/zinc/75/45/40/835754540.db2.gz DUAXAYIKMFZVSL-RBUKOAKNSA-N 2 1 382.552 3.862 20 30 GHEDMP C=CCOCc1nn(CC2CC2)c2c1C[N@@H+]([C@@H](C)CCC[NH+](CC)CC)CC2 ZINC001167825903 842045584 /nfs/dbraw/zinc/04/55/84/842045584.db2.gz ULVCACWAEKPBLX-IBGZPJMESA-N 2 1 388.600 3.864 20 30 GHEDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000599660288 861492045 /nfs/dbraw/zinc/49/20/45/861492045.db2.gz MBQNEXGJCVOCBB-FQEVSTJZSA-N 2 1 392.547 3.905 20 30 GHEDMP N#Cc1ccc(CN2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167964067 853428442 /nfs/dbraw/zinc/42/84/42/853428442.db2.gz MPLXUGLXGZURDW-CWAQXLGLSA-N 2 1 378.564 3.518 20 30 GHEDMP N#Cc1ccc(C[NH+]2CCC(NC3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)cc1 ZINC001167964067 853428448 /nfs/dbraw/zinc/42/84/48/853428448.db2.gz MPLXUGLXGZURDW-CWAQXLGLSA-N 2 1 378.564 3.518 20 30 GHEDMP N#Cc1ccc(C[NH+]2CCC(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167964067 853428451 /nfs/dbraw/zinc/42/84/51/853428451.db2.gz MPLXUGLXGZURDW-CWAQXLGLSA-N 2 1 378.564 3.518 20 30 GHEDMP C=CCN1C(=O)CC[C@]12CCC[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)[C@@H]2CC ZINC001167988879 853745511 /nfs/dbraw/zinc/74/55/11/853745511.db2.gz ONVKWQWBNVWJHS-CXUBVSOCSA-N 2 1 385.596 3.813 20 30 GHEDMP C=CCN1C(=O)CC[C@]12CCC[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)[C@@H]2CC ZINC001167988879 853745515 /nfs/dbraw/zinc/74/55/15/853745515.db2.gz ONVKWQWBNVWJHS-CXUBVSOCSA-N 2 1 385.596 3.813 20 30 GHEDMP C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000542885199 856651740 /nfs/dbraw/zinc/65/17/40/856651740.db2.gz UWDQZUXJLJACBG-JPYJTQIMSA-N 2 1 391.515 4.000 20 30 GHEDMP CC(C)(C#N)c1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000594501333 858193483 /nfs/dbraw/zinc/19/34/83/858193483.db2.gz UHDYJRMXGOJPPF-HSZRJFAPSA-N 2 1 377.532 3.734 20 30 GHEDMP COc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)ccc1C#N ZINC000521945003 858477703 /nfs/dbraw/zinc/47/77/03/858477703.db2.gz ZPXMNUAEEOYRFY-DNVJHFABSA-N 2 1 375.516 3.957 20 30 GHEDMP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c2cccs2)CC1 ZINC000611390348 859740558 /nfs/dbraw/zinc/74/05/58/859740558.db2.gz UOJHKHBQHCKDSW-NHCUHLMSSA-N 2 1 380.561 3.575 20 30 GHEDMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000598719737 860528052 /nfs/dbraw/zinc/52/80/52/860528052.db2.gz KTKTWMPOZRPCMO-NEWSRXKRSA-N 2 1 397.485 3.979 20 30 GHEDMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000598719737 860528064 /nfs/dbraw/zinc/52/80/64/860528064.db2.gz KTKTWMPOZRPCMO-NEWSRXKRSA-N 2 1 397.485 3.979 20 30 GHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(I)cc2)CC1 ZINC000482627430 863402476 /nfs/dbraw/zinc/40/24/76/863402476.db2.gz HFTNBRYKJXDHCU-AWEZNQCLSA-N 2 1 384.305 3.982 20 30 GHEDMP N#Cc1cccc(OCC[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000534963850 867878904 /nfs/dbraw/zinc/87/89/04/867878904.db2.gz PBZSMFFGSAJKQQ-UHFFFAOYSA-N 2 1 375.516 3.925 20 30 GHEDMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000532649580 886900088 /nfs/dbraw/zinc/90/00/88/886900088.db2.gz LCXFANQEMFHFOH-UGKGYDQZSA-N 2 1 390.531 3.872 20 30 GHEDMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000532649580 886900098 /nfs/dbraw/zinc/90/00/98/886900098.db2.gz LCXFANQEMFHFOH-UGKGYDQZSA-N 2 1 390.531 3.872 20 30 GHEDMP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2C#N)CC[NH+]1Cc1ccccc1 ZINC000532649580 886900111 /nfs/dbraw/zinc/90/01/11/886900111.db2.gz LCXFANQEMFHFOH-UGKGYDQZSA-N 2 1 390.531 3.872 20 30 GHEDMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2C#N)CC[NH+]1Cc1ccccc1 ZINC000532649580 886900124 /nfs/dbraw/zinc/90/01/24/886900124.db2.gz LCXFANQEMFHFOH-UGKGYDQZSA-N 2 1 390.531 3.872 20 30 GHEDMP CC(C)C[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)CC1CC[NH+](C)CC1 ZINC000879705044 895244967 /nfs/dbraw/zinc/24/49/67/895244967.db2.gz YSGFOTTXFWVXSV-SFHVURJKSA-N 2 1 398.576 3.772 20 30 GHEDMP CC(C)C[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)CC1CC[NH+](C)CC1 ZINC000879705044 895244975 /nfs/dbraw/zinc/24/49/75/895244975.db2.gz YSGFOTTXFWVXSV-SFHVURJKSA-N 2 1 398.576 3.772 20 30 GHEDMP C=C(C)COc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)ccc1OC ZINC000567258055 897013553 /nfs/dbraw/zinc/01/35/53/897013553.db2.gz IBFMIQLPNXWXNN-WCRBZPEASA-N 2 1 388.552 3.724 20 30 GHEDMP C=C(C)COc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)ccc1OC ZINC000567258055 897013562 /nfs/dbraw/zinc/01/35/62/897013562.db2.gz IBFMIQLPNXWXNN-WCRBZPEASA-N 2 1 388.552 3.724 20 30 GHEDMP C=C(C)COc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)ccc1OC ZINC000567258055 897013574 /nfs/dbraw/zinc/01/35/74/897013574.db2.gz IBFMIQLPNXWXNN-WCRBZPEASA-N 2 1 388.552 3.724 20 30 GHEDMP C=C(C)COc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)ccc1OC ZINC000567258055 897013585 /nfs/dbraw/zinc/01/35/85/897013585.db2.gz IBFMIQLPNXWXNN-WCRBZPEASA-N 2 1 388.552 3.724 20 30 GHEDMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(N(C)CCC#N)cc3)CC2)oc1C ZINC000111412562 898802069 /nfs/dbraw/zinc/80/20/69/898802069.db2.gz IWMPKNUIXNZBQD-UHFFFAOYSA-N 2 1 395.551 3.643 20 30 GHEDMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)CC1(C)C ZINC001171637428 904925471 /nfs/dbraw/zinc/92/54/71/904925471.db2.gz NAHUJOYBBFMLMN-XMMPIXPASA-N 2 1 394.563 3.638 20 30 GHEDMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172988687 906053518 /nfs/dbraw/zinc/05/35/18/906053518.db2.gz CNWUEXUXRVRCND-NMLBUPMWSA-N 2 1 390.572 3.617 20 30 GHEDMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172988687 906053527 /nfs/dbraw/zinc/05/35/27/906053527.db2.gz CNWUEXUXRVRCND-NMLBUPMWSA-N 2 1 390.572 3.617 20 30 GHEDMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172988687 906053536 /nfs/dbraw/zinc/05/35/36/906053536.db2.gz CNWUEXUXRVRCND-NMLBUPMWSA-N 2 1 390.572 3.617 20 30 GHEDMP C=CCOC1CCC([NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)CC1 ZINC001173324927 906372838 /nfs/dbraw/zinc/37/28/38/906372838.db2.gz WGNWMFNENAIKTM-OOMBGRCJSA-N 2 1 399.579 3.651 20 30 GHEDMP CCC[N@H+](CCOc1ccccc1C#N)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114197982 919385428 /nfs/dbraw/zinc/38/54/28/919385428.db2.gz GWEXLGURZPTDDR-UHFFFAOYSA-N 2 1 393.535 3.725 20 30 GHEDMP CCC[N@@H+](CCOc1ccccc1C#N)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114197982 919385455 /nfs/dbraw/zinc/38/54/55/919385455.db2.gz GWEXLGURZPTDDR-UHFFFAOYSA-N 2 1 393.535 3.725 20 30 GHEDMP C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000926573905 932231822 /nfs/dbraw/zinc/23/18/22/932231822.db2.gz QKWUVXUTJAXMHK-OALUTQOASA-N 2 1 392.588 3.627 20 30 GHEDMP C=CCOC(=O)N1CCC2(C[NH+](C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001208931224 1035093731 /nfs/dbraw/zinc/09/37/31/1035093731.db2.gz ILHOKAUJSXNDJB-JOCHJYFZSA-N 2 1 397.563 3.619 20 30 GHEDMP C=CCOC(=O)N1CCC2(C[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001208931224 1035093743 /nfs/dbraw/zinc/09/37/43/1035093743.db2.gz ILHOKAUJSXNDJB-JOCHJYFZSA-N 2 1 397.563 3.619 20 30 GHEDMP C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208949878 1035120419 /nfs/dbraw/zinc/12/04/19/1035120419.db2.gz ZHVQYHSYSAGSRK-UPVQGACJSA-N 2 1 397.563 3.619 20 30 GHEDMP C=CCOC(=O)N1CCC[C@@]2(CC[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001208949878 1035120424 /nfs/dbraw/zinc/12/04/24/1035120424.db2.gz ZHVQYHSYSAGSRK-UPVQGACJSA-N 2 1 397.563 3.619 20 30 GHEDMP C=CCOC(=O)N1CCC[C@@]2(CC[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001208949878 1035120427 /nfs/dbraw/zinc/12/04/27/1035120427.db2.gz ZHVQYHSYSAGSRK-UPVQGACJSA-N 2 1 397.563 3.619 20 30 GHEDMP COc1ccc(C[N@@H+]([C@H](C)Cc2ccc(C#N)cc2)C2CC[NH2+]CC2)cc1F ZINC001246963904 1037785336 /nfs/dbraw/zinc/78/53/36/1037785336.db2.gz ZYXFSIACCDOVKA-QGZVFWFLSA-N 2 1 381.495 3.891 20 30 GHEDMP C=CCc1cccc(C[N@H+]2CCc3ccc(OC)cc3C23CC[NH2+]CC3)c1O ZINC001235020065 1040511311 /nfs/dbraw/zinc/51/13/11/1040511311.db2.gz SFRVRDWSLJMAQS-UHFFFAOYSA-N 2 1 378.516 3.766 20 30 GHEDMP C=CCc1cccc(C[N@@H+]2CCc3ccc(OC)cc3C23CC[NH2+]CC3)c1O ZINC001235020065 1040511332 /nfs/dbraw/zinc/51/13/32/1040511332.db2.gz SFRVRDWSLJMAQS-UHFFFAOYSA-N 2 1 378.516 3.766 20 30 GHEDMP C=CCn1c(=O)ccc2c1CC[C@H]([NH2+][C@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255382580 1040973281 /nfs/dbraw/zinc/97/32/81/1040973281.db2.gz DHLMFBHSWRABGZ-GOTSBHOMSA-N 2 1 391.559 3.536 20 30 GHEDMP N#Cc1ccc(N2CCC[N@H+]([C@@H]3CCC[NH+](Cc4ccccc4)CC3)CC2)nc1 ZINC001255403254 1040989481 /nfs/dbraw/zinc/98/94/81/1040989481.db2.gz CCJYBUYALNTCIS-HSZRJFAPSA-N 2 1 389.547 3.520 20 30 GHEDMP N#Cc1ccc(N2CCC[NH+]([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)CC2)nc1 ZINC001255403254 1040989483 /nfs/dbraw/zinc/98/94/83/1040989483.db2.gz CCJYBUYALNTCIS-HSZRJFAPSA-N 2 1 389.547 3.520 20 30 GHEDMP N#Cc1ccc(N2CCC[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)nc1 ZINC001255403254 1040989484 /nfs/dbraw/zinc/98/94/84/1040989484.db2.gz CCJYBUYALNTCIS-HSZRJFAPSA-N 2 1 389.547 3.520 20 30 GHEDMP CCc1cc(C[N@@H+]2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)ccc1C#N ZINC001235647650 1041090689 /nfs/dbraw/zinc/09/06/89/1041090689.db2.gz BESMKSSJJOAPSX-UHFFFAOYSA-N 2 1 377.536 3.755 20 30 GHEDMP CCc1cc(C[N@H+]2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)ccc1C#N ZINC001235647650 1041090709 /nfs/dbraw/zinc/09/07/09/1041090709.db2.gz BESMKSSJJOAPSX-UHFFFAOYSA-N 2 1 377.536 3.755 20 30 GHEDMP COc1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)ccc1C#N ZINC001238417778 1042589435 /nfs/dbraw/zinc/58/94/35/1042589435.db2.gz ZFWBIWXKKNHKAG-XZOQPEGZSA-N 2 1 375.516 3.911 20 30 GHEDMP COc1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)ccc1C#N ZINC001238417778 1042589436 /nfs/dbraw/zinc/58/94/36/1042589436.db2.gz ZFWBIWXKKNHKAG-XZOQPEGZSA-N 2 1 375.516 3.911 20 30 GHEDMP COc1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)ccc1C#N ZINC001238417778 1042589440 /nfs/dbraw/zinc/58/94/40/1042589440.db2.gz ZFWBIWXKKNHKAG-XZOQPEGZSA-N 2 1 375.516 3.911 20 30 GHEDMP CSc1ccc(C[NH+]2CCC3(C[NH+](Cc4cc(C#N)n(C)c4)C3)CC2)s1 ZINC001279077237 1044416341 /nfs/dbraw/zinc/41/63/41/1044416341.db2.gz NQIYPFXTZBMYOJ-UHFFFAOYSA-N 2 1 386.590 3.778 20 30 GHEDMP C=CCC1([NH2+]CC(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)CCCC1 ZINC001460456834 1068970567 /nfs/dbraw/zinc/97/05/67/1068970567.db2.gz VHJFFUGJOKSCDH-UHFFFAOYSA-N 2 1 383.580 3.933 20 30 GHEDMP C=CC[C@@H]1CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001473627804 1074057199 /nfs/dbraw/zinc/05/71/99/1074057199.db2.gz QCDATBAVIYVOQU-WIYYLYMNSA-N 2 1 389.971 3.881 20 30 GHEDMP C=CC[C@@H]1CCC[N@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001473627804 1074057206 /nfs/dbraw/zinc/05/72/06/1074057206.db2.gz QCDATBAVIYVOQU-WIYYLYMNSA-N 2 1 389.971 3.881 20 30 GHEDMP Cn1cc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180165024 836475240 /nfs/dbraw/zinc/47/52/40/836475240.db2.gz XYBAOWXHIVAINL-JOCHJYFZSA-N 2 1 399.542 3.613 20 30 GHEDMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000185685402 861196235 /nfs/dbraw/zinc/19/62/35/861196235.db2.gz FCEAJIACQGMFFN-ZOBUZTSGSA-N 2 1 388.943 3.781 20 30 GHEDMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000185685402 861196248 /nfs/dbraw/zinc/19/62/48/861196248.db2.gz FCEAJIACQGMFFN-ZOBUZTSGSA-N 2 1 388.943 3.781 20 30 GHEDMP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000603875805 861305939 /nfs/dbraw/zinc/30/59/39/861305939.db2.gz QJNQYCWKPGHZID-NRFANRHFSA-N 2 1 396.579 3.910 20 30 GHEDMP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000611622463 847600382 /nfs/dbraw/zinc/60/03/82/847600382.db2.gz JVQHVQDIGBPYPE-LADGPHEKSA-N 2 1 375.516 3.682 20 30 GHEDMP C=C(C)[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(F)c(F)c1 ZINC000481603494 861850047 /nfs/dbraw/zinc/85/00/47/861850047.db2.gz YWSCYJCLODDDDY-IFMALSPDSA-N 2 1 387.474 3.591 20 30 GHEDMP C=C(C)[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc(F)c(F)c1 ZINC000481603497 861850401 /nfs/dbraw/zinc/85/04/01/861850401.db2.gz YWSCYJCLODDDDY-UNMCSNQZSA-N 2 1 387.474 3.591 20 30 GHEDMP C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000519282513 850862248 /nfs/dbraw/zinc/86/22/48/850862248.db2.gz AWAHGJNNHWWMFE-FQEVSTJZSA-N 2 1 398.595 3.758 20 30 GHEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc(OCCCC#N)c3)CC2)CC1 ZINC000516582956 852753390 /nfs/dbraw/zinc/75/33/90/852753390.db2.gz XKENRPYHYFPCKP-UHFFFAOYSA-N 2 1 398.551 3.504 20 30 GHEDMP N#Cc1cc(Cl)cc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)c1 ZINC000903464305 855325527 /nfs/dbraw/zinc/32/55/27/855325527.db2.gz IBRCCKPOKUSLNL-UHFFFAOYSA-N 2 1 383.927 3.781 20 30 GHEDMP C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000159050816 858834777 /nfs/dbraw/zinc/83/47/77/858834777.db2.gz DUAXAYIKMFZVSL-MOPGFXCFSA-N 2 1 382.552 3.862 20 30 GHEDMP C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000159050816 858834795 /nfs/dbraw/zinc/83/47/95/858834795.db2.gz DUAXAYIKMFZVSL-MOPGFXCFSA-N 2 1 382.552 3.862 20 30 GHEDMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(C4(C#N)CC4)cc3)C2)ccn1 ZINC000856548078 881361331 /nfs/dbraw/zinc/36/13/31/881361331.db2.gz GPQPXEAYQKTDKL-QHCPKHFHSA-N 2 1 390.531 3.742 20 30 GHEDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc(C4(C#N)CC4)cc3)C2)ccn1 ZINC000856548078 881361350 /nfs/dbraw/zinc/36/13/50/881361350.db2.gz GPQPXEAYQKTDKL-QHCPKHFHSA-N 2 1 390.531 3.742 20 30 GHEDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc(C4(C#N)CC4)cc3)C2)ccn1 ZINC000856548078 881361365 /nfs/dbraw/zinc/36/13/65/881361365.db2.gz GPQPXEAYQKTDKL-QHCPKHFHSA-N 2 1 390.531 3.742 20 30 GHEDMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611390572 859734101 /nfs/dbraw/zinc/73/41/01/859734101.db2.gz ITAWDANADOUCNG-VWLOTQADSA-N 2 1 388.559 3.863 20 30 GHEDMP N#Cc1ccc(CN2CCC([NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000192923509 863221760 /nfs/dbraw/zinc/22/17/60/863221760.db2.gz WHIPDDCVVFCCKO-DEOSSOPVSA-N 2 1 388.559 3.634 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OCC ZINC000608061550 864953444 /nfs/dbraw/zinc/95/34/44/864953444.db2.gz YEJMJYVLJWMJDF-HOCLYGCPSA-N 2 1 397.357 3.985 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OCC ZINC000608061550 864953450 /nfs/dbraw/zinc/95/34/50/864953450.db2.gz YEJMJYVLJWMJDF-HOCLYGCPSA-N 2 1 397.357 3.985 20 30 GHEDMP C=CC[NH+]1CCC(NC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000171709500 865339454 /nfs/dbraw/zinc/33/94/54/865339454.db2.gz QKNPAHGVFDPCNL-LJQANCHMSA-N 2 1 384.568 3.511 20 30 GHEDMP CC1(C)C[N@@H+](C[C@H](O)CC2(C#N)CC2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000528560104 874705568 /nfs/dbraw/zinc/70/55/68/874705568.db2.gz HOEOWJINQUYORO-FGZHOGPDSA-N 2 1 381.564 3.664 20 30 GHEDMP C#CCOc1ccccc1C[NH2+]CC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC000111397531 879087316 /nfs/dbraw/zinc/08/73/16/879087316.db2.gz ZQXIFQIGROIYIR-UHFFFAOYSA-N 2 1 383.561 3.719 20 30 GHEDMP CO[C@@H]1CCC[NH+](Cc2cc(C#N)cc(C[N@@H+]3CCC[C@@H](OC)CC3)c2)CC1 ZINC000878401034 894261354 /nfs/dbraw/zinc/26/13/54/894261354.db2.gz KOZSRQJAAKGYSH-DHIUTWEWSA-N 2 1 385.552 3.560 20 30 GHEDMP C=CCc1ccccc1OC[C@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000571434228 899866198 /nfs/dbraw/zinc/86/61/98/899866198.db2.gz LQJHBSLRJRWPNQ-HXUWFJFHSA-N 2 1 395.478 3.578 20 30 GHEDMP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000571468841 899878078 /nfs/dbraw/zinc/87/80/78/899878078.db2.gz SMMKHLMPXYNCTM-VWNXMTODSA-N 2 1 375.516 3.682 20 30 GHEDMP C[C@H](CCCC#N)[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCc2ccccn2)C1 ZINC001172497065 905597217 /nfs/dbraw/zinc/59/72/17/905597217.db2.gz XHGDCGOHNSRCQC-JCTONOIOSA-N 2 1 396.579 3.714 20 30 GHEDMP C[C@H](CCCC#N)[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1ccccn1 ZINC001172497065 905597232 /nfs/dbraw/zinc/59/72/32/905597232.db2.gz XHGDCGOHNSRCQC-JCTONOIOSA-N 2 1 396.579 3.714 20 30 GHEDMP C[C@H](CCCC#N)[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1ccccn1 ZINC001172497065 905597242 /nfs/dbraw/zinc/59/72/42/905597242.db2.gz XHGDCGOHNSRCQC-JCTONOIOSA-N 2 1 396.579 3.714 20 30 GHEDMP N#Cc1ccc(C(=O)N2CCC([N@H+]3CCCC[C@H]3CC[NH+]3CCCC3)CC2)cc1 ZINC001173432279 906468153 /nfs/dbraw/zinc/46/81/53/906468153.db2.gz XCPVDZHUJKVRBQ-QFIPXVFZSA-N 2 1 394.563 3.503 20 30 GHEDMP CC1(C#N)CCC([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)CC1 ZINC001173594852 906548795 /nfs/dbraw/zinc/54/87/95/906548795.db2.gz MWMKCHBTWUOGTP-WNOYLVIBSA-N 2 1 381.568 3.530 20 30 GHEDMP CC1(C#N)CCC([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)CC1 ZINC001173594852 906548802 /nfs/dbraw/zinc/54/88/02/906548802.db2.gz MWMKCHBTWUOGTP-WNOYLVIBSA-N 2 1 381.568 3.530 20 30 GHEDMP CC1(C#N)CCC([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)CC1 ZINC001173594852 906548808 /nfs/dbraw/zinc/54/88/08/906548808.db2.gz MWMKCHBTWUOGTP-WNOYLVIBSA-N 2 1 381.568 3.530 20 30 GHEDMP CC1(C#N)CCC([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)CC1 ZINC001173594852 906548817 /nfs/dbraw/zinc/54/88/17/906548817.db2.gz MWMKCHBTWUOGTP-WNOYLVIBSA-N 2 1 381.568 3.530 20 30 GHEDMP COc1ccc(OC)c(NC(=[NH2+])NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000303887996 915298121 /nfs/dbraw/zinc/29/81/21/915298121.db2.gz LBXWOMJMQMCCRC-KRWDZBQOSA-N 2 1 396.535 3.863 20 30 GHEDMP CCc1nc(C[NH+]2CCC(CNC(=[NH2+])Nc3ccc(CC)cc3)CC2)cs1 ZINC000304752376 915670360 /nfs/dbraw/zinc/67/03/60/915670360.db2.gz KEJRABNAGIKNRU-UHFFFAOYSA-N 2 1 385.581 3.907 20 30 GHEDMP C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@H]1CCCC[N@@H+]1C(C)C ZINC000412987602 928075373 /nfs/dbraw/zinc/07/53/73/928075373.db2.gz KKYQZRONEMJNMF-LJQANCHMSA-N 2 1 391.629 3.848 20 30 GHEDMP N#Cc1ccc(OCCNc2ccc3c(c2)[nH+]cn3[C@@H]2CCC[NH2+]CC2)cc1 ZINC001171485137 1014964853 /nfs/dbraw/zinc/96/48/53/1014964853.db2.gz CBXGIUOUGVKGSA-LJQANCHMSA-N 2 1 375.476 3.713 20 30 GHEDMP N#Cc1nc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)ccc1Cl ZINC001155358015 1032517443 /nfs/dbraw/zinc/51/74/43/1032517443.db2.gz MGBSASYIGNGYPO-GOSISDBHSA-N 2 1 395.938 3.520 20 30 GHEDMP C=C(C)COc1ccccc1CN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001138661423 1025180780 /nfs/dbraw/zinc/18/07/80/1025180780.db2.gz XDOBXSOJLMUYME-UPVQGACJSA-N 2 1 384.564 3.822 20 30 GHEDMP C=C(C)COc1ccccc1C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001138661423 1025180789 /nfs/dbraw/zinc/18/07/89/1025180789.db2.gz XDOBXSOJLMUYME-UPVQGACJSA-N 2 1 384.564 3.822 20 30 GHEDMP C=C(C)COc1ccccc1C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001138661423 1025180799 /nfs/dbraw/zinc/18/07/99/1025180799.db2.gz XDOBXSOJLMUYME-UPVQGACJSA-N 2 1 384.564 3.822 20 30 GHEDMP C=C(C)COc1ccccc1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COC)C1 ZINC001138661423 1025180806 /nfs/dbraw/zinc/18/08/06/1025180806.db2.gz XDOBXSOJLMUYME-UPVQGACJSA-N 2 1 384.564 3.822 20 30 GHEDMP C=C(C)COc1ccccc1C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COC)C1 ZINC001138661423 1025180815 /nfs/dbraw/zinc/18/08/15/1025180815.db2.gz XDOBXSOJLMUYME-UPVQGACJSA-N 2 1 384.564 3.822 20 30 GHEDMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)cc1 ZINC001138772906 1025343014 /nfs/dbraw/zinc/34/30/14/1025343014.db2.gz IYZHAJDHYGIZCL-JOCHJYFZSA-N 2 1 379.504 3.542 20 30 GHEDMP Cc1ccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)cc1C#N ZINC001139725024 1026568619 /nfs/dbraw/zinc/56/86/19/1026568619.db2.gz ZMAOONKXWAUKTR-QHCPKHFHSA-N 2 1 390.531 3.517 20 30 GHEDMP N#Cc1ccc2[nH]cc(C[NH+]3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c2c1 ZINC001140114230 1026895837 /nfs/dbraw/zinc/89/58/37/1026895837.db2.gz SGHAXBXOJNWZBQ-UHFFFAOYSA-N 2 1 385.515 3.923 20 30 GHEDMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](CCCc3ccc(C#N)cc3)CC[C@@H]21 ZINC001208858462 1035062850 /nfs/dbraw/zinc/06/28/50/1035062850.db2.gz FVUROCMLVUVPSY-SGNDLWITSA-N 2 1 391.563 3.561 20 30 GHEDMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](CCCc3ccc(C#N)cc3)CC[C@@H]21 ZINC001208858462 1035062857 /nfs/dbraw/zinc/06/28/57/1035062857.db2.gz FVUROCMLVUVPSY-SGNDLWITSA-N 2 1 391.563 3.561 20 30 GHEDMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](CCCc3ccc(C#N)cc3)CC[C@@H]21 ZINC001208858462 1035062863 /nfs/dbraw/zinc/06/28/63/1035062863.db2.gz FVUROCMLVUVPSY-SGNDLWITSA-N 2 1 391.563 3.561 20 30 GHEDMP CC(C)(C)OC(=O)[C@H](CCC[NH3+])[NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001246208188 1037238282 /nfs/dbraw/zinc/23/82/82/1037238282.db2.gz SIYUXUKMMKWKII-LVIWNVNYSA-N 2 1 389.515 3.568 20 30 GHEDMP N#Cc1cccc(O[C@@H]2CCC[N@H+]([C@H]3CC[NH2+][C@@H](Cc4ccccc4)C3)C2)c1 ZINC001246847908 1037674394 /nfs/dbraw/zinc/67/43/94/1037674394.db2.gz YVYYEMOTHMFNRV-WPFOTENUSA-N 2 1 375.516 3.765 20 30 GHEDMP CC(C)(C)c1ccc(-c2noc([C@@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)c(C#N)c1 ZINC001247904362 1038475299 /nfs/dbraw/zinc/47/52/99/1038475299.db2.gz DNZNBCJQALOFQL-MRXNPFEDSA-N 2 1 393.535 3.837 20 30 GHEDMP CCOC(=O)[C@H]1CCC[C@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255351275 1040956392 /nfs/dbraw/zinc/95/63/92/1040956392.db2.gz WYPHSZHBCIIQIW-CMOCDZPBSA-N 2 1 383.536 3.752 20 30 GHEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@H]1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001255404426 1040991935 /nfs/dbraw/zinc/99/19/35/1040991935.db2.gz SNDHNGMAECYJBU-HJOGWXRNSA-N 2 1 384.564 3.867 20 30 GHEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[NH+]([C@H]1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC001255404426 1040991938 /nfs/dbraw/zinc/99/19/38/1040991938.db2.gz SNDHNGMAECYJBU-HJOGWXRNSA-N 2 1 384.564 3.867 20 30 GHEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[NH+]([C@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255404426 1040991940 /nfs/dbraw/zinc/99/19/40/1040991940.db2.gz SNDHNGMAECYJBU-HJOGWXRNSA-N 2 1 384.564 3.867 20 30 GHEDMP CC[N@H+](CCC1CC[NH+](Cc2cccc(C(=O)OC)c2C#N)CC1)CC(C)C ZINC001307605240 1049444312 /nfs/dbraw/zinc/44/43/12/1049444312.db2.gz XFEJYQFTEVEYON-UHFFFAOYSA-N 2 1 385.552 3.925 20 30 GHEDMP CC[N@@H+](CCC1CC[NH+](Cc2cccc(C(=O)OC)c2C#N)CC1)CC(C)C ZINC001307605240 1049444321 /nfs/dbraw/zinc/44/43/21/1049444321.db2.gz XFEJYQFTEVEYON-UHFFFAOYSA-N 2 1 385.552 3.925 20 30 GHEDMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001308487597 1049988097 /nfs/dbraw/zinc/98/80/97/1049988097.db2.gz CWGXVNPZLLJORZ-WMZHIEFXSA-N 2 1 399.542 3.816 20 30 GHEDMP N#Cc1ccccc1OCCN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001459653134 1064154978 /nfs/dbraw/zinc/15/49/78/1064154978.db2.gz HCBWIELHQGNDHY-GOTSBHOMSA-N 2 1 375.516 3.924 20 30 GHEDMP C=C1CCC(CNC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC001479258635 1079167619 /nfs/dbraw/zinc/16/76/19/1079167619.db2.gz UNTYWHXBDJECCU-UHFFFAOYSA-N 2 1 390.616 3.571 20 30 GHEDMP C=C(C)C[NH+]1CCC(NC(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000509727157 840118009 /nfs/dbraw/zinc/11/80/09/840118009.db2.gz DFJGHUILOKOYPR-UNMCSNQZSA-N 2 1 398.595 3.627 20 30 GHEDMP O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000329637962 861859060 /nfs/dbraw/zinc/85/90/60/861859060.db2.gz VWCQLVCRKIEJLO-UXHICEINSA-N 2 1 379.508 3.648 20 30 GHEDMP C#Cc1ccc(NC(=O)CC[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC001167659556 849331915 /nfs/dbraw/zinc/33/19/15/849331915.db2.gz STINONCJERFMTL-FQEVSTJZSA-N 2 1 381.564 3.973 20 30 GHEDMP C[NH+]=C(NCc1scnc1C)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000262004160 850555764 /nfs/dbraw/zinc/55/57/64/850555764.db2.gz VETBHIOHJPMTAO-WOJBJXKFSA-N 2 1 397.592 3.513 20 30 GHEDMP COc1ccc(NC(=[NH2+])NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000262014805 851149617 /nfs/dbraw/zinc/14/96/17/851149617.db2.gz KQYUNIWOINDCLE-LIRRHRJNSA-N 2 1 390.890 3.907 20 30 GHEDMP N#Cc1ccccc1CN1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167975603 851814039 /nfs/dbraw/zinc/81/40/39/851814039.db2.gz SHXTZPVQRFBSQQ-CWAQXLGLSA-N 2 1 378.564 3.518 20 30 GHEDMP CN(Cc1ccccc1C(C)(C)C#N)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188293721 853921291 /nfs/dbraw/zinc/92/12/91/853921291.db2.gz YUGLBMHWVMUCSJ-XMMPIXPASA-N 2 1 377.532 3.557 20 30 GHEDMP C[N@H+](Cc1ccccc1C(C)(C)C#N)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000188293721 853921292 /nfs/dbraw/zinc/92/12/92/853921292.db2.gz YUGLBMHWVMUCSJ-XMMPIXPASA-N 2 1 377.532 3.557 20 30 GHEDMP C[N@@H+](Cc1ccccc1C(C)(C)C#N)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000188293721 853921296 /nfs/dbraw/zinc/92/12/96/853921296.db2.gz YUGLBMHWVMUCSJ-XMMPIXPASA-N 2 1 377.532 3.557 20 30 GHEDMP COc1cc(C#N)ccc1OC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167994273 854436311 /nfs/dbraw/zinc/43/63/11/854436311.db2.gz BBQHTYRLDPSFAB-WCRBZPEASA-N 2 1 395.547 3.815 20 30 GHEDMP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594495048 858191153 /nfs/dbraw/zinc/19/11/53/858191153.db2.gz NJWKZKLCWCOWEO-UHFFFAOYSA-N 2 1 390.575 3.915 20 30 GHEDMP CCCC[N@H+](C)CC1CC[NH+](Cc2c(C#N)c(C)nn2-c2ccccc2)CC1 ZINC000611346124 859721814 /nfs/dbraw/zinc/72/18/14/859721814.db2.gz BKSMRSXNMGOVQJ-UHFFFAOYSA-N 2 1 379.552 3.996 20 30 GHEDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2c(C#N)c(C)nn2-c2ccccc2)CC1 ZINC000611346124 859721817 /nfs/dbraw/zinc/72/18/17/859721817.db2.gz BKSMRSXNMGOVQJ-UHFFFAOYSA-N 2 1 379.552 3.996 20 30 GHEDMP C#CCOc1ccccc1C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856562219 881469987 /nfs/dbraw/zinc/46/99/87/881469987.db2.gz WJYBIMWOUIFRIR-QHCPKHFHSA-N 2 1 393.531 3.587 20 30 GHEDMP C#CCOc1ccccc1C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856562219 881469995 /nfs/dbraw/zinc/46/99/95/881469995.db2.gz WJYBIMWOUIFRIR-QHCPKHFHSA-N 2 1 393.531 3.587 20 30 GHEDMP C#CCOc1ccccc1C[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856562219 881470005 /nfs/dbraw/zinc/47/00/05/881470005.db2.gz WJYBIMWOUIFRIR-QHCPKHFHSA-N 2 1 393.531 3.587 20 30 GHEDMP N#Cc1ccc(C[NH+]2CCC(NC[C@@H]3CCC[N@@H+]3Cc3ccccc3)CC2)cc1 ZINC000181753885 871461321 /nfs/dbraw/zinc/46/13/21/871461321.db2.gz RKOBICCVHIVKIB-VWLOTQADSA-N 2 1 388.559 3.777 20 30 GHEDMP N#Cc1ccc(C[NH+]2CCC(NC[C@@H]3CCC[N@H+]3Cc3ccccc3)CC2)cc1 ZINC000181753885 871461324 /nfs/dbraw/zinc/46/13/24/871461324.db2.gz RKOBICCVHIVKIB-VWLOTQADSA-N 2 1 388.559 3.777 20 30 GHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)CC1 ZINC000152936199 872991905 /nfs/dbraw/zinc/99/19/05/872991905.db2.gz AABLEOMQIYKAJH-QGZVFWFLSA-N 2 1 377.960 3.707 20 30 GHEDMP COc1ccc(NC(=[NH2+])NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1OC ZINC000304794412 878733189 /nfs/dbraw/zinc/73/31/89/878733189.db2.gz LYHKBRHCOIAEBN-AUUYWEPGSA-N 2 1 388.537 3.575 20 30 GHEDMP C#CCOc1ccc(C[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000113318351 880503168 /nfs/dbraw/zinc/50/31/68/880503168.db2.gz ADPGVEZCSZLHQZ-BGYRXZFFSA-N 2 1 378.516 3.598 20 30 GHEDMP C#CCCOc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCN(CC)CC2)cc1 ZINC000113323213 880515943 /nfs/dbraw/zinc/51/59/43/880515943.db2.gz DAFCBNWJWBJRQO-UHFFFAOYSA-N 2 1 391.559 3.516 20 30 GHEDMP [NH2+]=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)NC1CCCCCC1 ZINC000263144514 884171161 /nfs/dbraw/zinc/17/11/61/884171161.db2.gz OPPWRFBUCCMBPC-NRFANRHFSA-N 2 1 398.595 3.542 20 30 GHEDMP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000610809715 885280095 /nfs/dbraw/zinc/28/00/95/885280095.db2.gz QEOLFVSTLFJTCX-XXBNENTESA-N 2 1 389.547 3.565 20 30 GHEDMP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000610809715 885280113 /nfs/dbraw/zinc/28/01/13/885280113.db2.gz QEOLFVSTLFJTCX-XXBNENTESA-N 2 1 389.547 3.565 20 30 GHEDMP CC[N@@H+](CCC1CCN(Cc2cccc(C(=O)OC)c2C#N)CC1)CC1CC1 ZINC000536737385 893699888 /nfs/dbraw/zinc/69/98/88/893699888.db2.gz DLPNDMCPSWYNSY-UHFFFAOYSA-N 2 1 383.536 3.679 20 30 GHEDMP CC[N@H+](CCC1CC[NH+](Cc2cccc(C(=O)OC)c2C#N)CC1)CC1CC1 ZINC000536737385 893699894 /nfs/dbraw/zinc/69/98/94/893699894.db2.gz DLPNDMCPSWYNSY-UHFFFAOYSA-N 2 1 383.536 3.679 20 30 GHEDMP CC[N@@H+](CCC1CC[NH+](Cc2cccc(C(=O)OC)c2C#N)CC1)CC1CC1 ZINC000536737385 893699900 /nfs/dbraw/zinc/69/99/00/893699900.db2.gz DLPNDMCPSWYNSY-UHFFFAOYSA-N 2 1 383.536 3.679 20 30 GHEDMP N#Cc1ccc(N2CCC([NH2+]C[C@H]3CC[N@@H+](CCc4ccccc4)C3)CC2)cc1 ZINC000565132833 895414026 /nfs/dbraw/zinc/41/40/26/895414026.db2.gz GJXHWCJUZRMHQX-HSZRJFAPSA-N 2 1 388.559 3.681 20 30 GHEDMP N#CCC[C@@H](NCc1ccc(OCCN2CCOCC2)cc1)c1ccccc1 ZINC000601114282 903348611 /nfs/dbraw/zinc/34/86/11/903348611.db2.gz OXPKOSKIZOQMEH-HSZRJFAPSA-N 2 1 379.504 3.532 20 30 GHEDMP CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173633938 906585537 /nfs/dbraw/zinc/58/55/37/906585537.db2.gz SNWILGZSFPMAPC-BRKWEVRTSA-N 2 1 383.536 3.752 20 30 GHEDMP CCc1cccc(CC)c1NC(=[NH2+])NCc1ccccc1C[NH+]1CCOCC1 ZINC000303786047 915127797 /nfs/dbraw/zinc/12/77/97/915127797.db2.gz QZFDQFLXWXOKPC-UHFFFAOYSA-N 2 1 380.536 3.570 20 30 GHEDMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])N2CCCCC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000304758236 915674477 /nfs/dbraw/zinc/67/44/77/915674477.db2.gz PSNLVUCEIPDXKY-FUHWJXTLSA-N 2 1 382.474 3.889 20 30 GHEDMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=[NH2+])NCCc1cccs1 ZINC000304785226 915700806 /nfs/dbraw/zinc/70/08/06/915700806.db2.gz HVPJKJQHVXDZCJ-UHFFFAOYSA-N 2 1 382.533 3.620 20 30 GHEDMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=[NH2+])NCCc1cccs1 ZINC000304785226 915700820 /nfs/dbraw/zinc/70/08/20/915700820.db2.gz HVPJKJQHVXDZCJ-UHFFFAOYSA-N 2 1 382.533 3.620 20 30 GHEDMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)c2cc(C#N)ccn2)CC1 ZINC000902794083 922502560 /nfs/dbraw/zinc/50/25/60/922502560.db2.gz SLHUQDSKMLDRCE-SJORKVTESA-N 2 1 381.499 3.646 20 30 GHEDMP C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000924695045 1017004122 /nfs/dbraw/zinc/00/41/22/1017004122.db2.gz IDNWNKLOEDZGPS-QRVBRYPASA-N 2 1 390.572 3.522 20 30 GHEDMP N#Cc1ccc(F)c(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1 ZINC001162933253 1025971430 /nfs/dbraw/zinc/97/14/30/1025971430.db2.gz BTNXLBQCMKVGFO-HXUWFJFHSA-N 2 1 378.495 3.611 20 30 GHEDMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(C#N)cc1)CC2 ZINC001203902813 1027696925 /nfs/dbraw/zinc/69/69/25/1027696925.db2.gz LHQXXIOWWQMFNN-FQEVSTJZSA-N 2 1 381.545 3.875 20 30 GHEDMP C=C(C)[C@@H]1CC=C(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C(C)C)C2)CC1 ZINC001208174961 1034773979 /nfs/dbraw/zinc/77/39/79/1034773979.db2.gz LNWMHNXTLLIVBO-LUKWVAJMSA-N 2 1 383.584 3.754 20 30 GHEDMP C=C(C)[C@@H]1CC=C(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C(C)C)C2)CC1 ZINC001208174961 1034773989 /nfs/dbraw/zinc/77/39/89/1034773989.db2.gz LNWMHNXTLLIVBO-LUKWVAJMSA-N 2 1 383.584 3.754 20 30 GHEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)CC1 ZINC001208174961 1034774002 /nfs/dbraw/zinc/77/40/02/1034774002.db2.gz LNWMHNXTLLIVBO-LUKWVAJMSA-N 2 1 383.584 3.754 20 30 GHEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C(C)C)C2)CC1 ZINC001208174961 1034774016 /nfs/dbraw/zinc/77/40/16/1034774016.db2.gz LNWMHNXTLLIVBO-LUKWVAJMSA-N 2 1 383.584 3.754 20 30 GHEDMP N#Cc1ccc(CCC[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)cc1 ZINC001208862350 1035064706 /nfs/dbraw/zinc/06/47/06/1035064706.db2.gz VXJPOBUBVWWZEM-UHFFFAOYSA-N 2 1 389.543 3.858 20 30 GHEDMP C=CCCCCC[NH+]1CCC2(CN(C(=O)C[NH+](C)C)c3ccc(C)cc32)CC1 ZINC001209424338 1035272081 /nfs/dbraw/zinc/27/20/81/1035272081.db2.gz PTKFFVMQPFVXTQ-UHFFFAOYSA-N 2 1 383.580 3.983 20 30 GHEDMP C=CCN1CC[C@@]2(C[N@@H+]([C@@H]3C[C@@H](CC)[NH2+][C@@H](CC)C3)C[C@@H]2c2ccccc2)C1=O ZINC001246705179 1037557931 /nfs/dbraw/zinc/55/79/31/1037557931.db2.gz XLWAIFCRRKMATD-JRYGSTJPSA-N 2 1 395.591 3.800 20 30 GHEDMP C=CCOC(=O)N1CCC(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255135639 1040836418 /nfs/dbraw/zinc/83/64/18/1040836418.db2.gz KKFQSIFGMNGQTI-NUNAXRQHSA-N 2 1 397.563 3.806 20 30 GHEDMP C=CCOC(=O)N1CCC2(C[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)CC1 ZINC001255399424 1040985185 /nfs/dbraw/zinc/98/51/85/1040985185.db2.gz RRIUSJXMVTYGCU-JOCHJYFZSA-N 2 1 397.563 3.762 20 30 GHEDMP C=CCOC[C@@H]1CCC[C@@]12C[N@H+](C1CCN(Cc3ccccc3)CC1)CCO2 ZINC001256607703 1043573029 /nfs/dbraw/zinc/57/30/29/1043573029.db2.gz RSGNFCHPCMIRFD-LADGPHEKSA-N 2 1 384.564 3.725 20 30 GHEDMP CCCCCCC[C@H](C)[N@H+]1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001258046954 1044368942 /nfs/dbraw/zinc/36/89/42/1044368942.db2.gz GHEZWNGFFZRBSC-FQEVSTJZSA-N 2 1 391.604 3.845 20 30 GHEDMP C[C@H]1C[C@@H](CC[NH2+]CCC(=O)Nc2cccc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC001261436926 1045998506 /nfs/dbraw/zinc/99/85/06/1045998506.db2.gz OWLUYJHSEHFHPQ-SIKLNZKXSA-N 2 1 390.531 3.777 20 30 GHEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000180234817 836789621 /nfs/dbraw/zinc/78/96/21/836789621.db2.gz BRYGFKVNBWWKBE-GAJHUEQPSA-N 2 1 399.498 3.899 20 30 GHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C(=O)OCC)[C@H](C(F)(F)F)C2)CC1 ZINC000892880854 839309494 /nfs/dbraw/zinc/30/94/94/839309494.db2.gz MHLDAFQTASWOIC-BRWVUGGUSA-N 2 1 376.463 3.527 20 30 GHEDMP C=C(C)COc1cccc(NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)c1 ZINC000584789383 840874261 /nfs/dbraw/zinc/87/42/61/840874261.db2.gz WNEWWOJDUGHDBD-UHFFFAOYSA-N 2 1 385.552 3.776 20 30 GHEDMP C#CCCOc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCN(CC)CC3)cc2)cc1 ZINC000236962317 845032814 /nfs/dbraw/zinc/03/28/14/845032814.db2.gz BTHMBCNUVDDYII-UHFFFAOYSA-N 2 1 391.559 3.516 20 30 GHEDMP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000072097330 846430976 /nfs/dbraw/zinc/43/09/76/846430976.db2.gz JGSYTCKNWKVRNF-LJQANCHMSA-N 2 1 390.531 3.729 20 30 GHEDMP C#CCOc1ccc([C@H](C)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000760016425 846597090 /nfs/dbraw/zinc/59/70/90/846597090.db2.gz JQEQDVCIDXGMPA-GBXCKJPGSA-N 2 1 378.516 3.640 20 30 GHEDMP N#CC1(c2ccccc2)CCC([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000272760124 847164362 /nfs/dbraw/zinc/16/43/62/847164362.db2.gz PZZWARZLGRSRKM-BQCMWAFGSA-N 2 1 389.543 3.747 20 30 GHEDMP C=CCOc1c(Br)cc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1OC ZINC000435440084 850530037 /nfs/dbraw/zinc/53/00/37/850530037.db2.gz ZFVBZDRVBFEMTR-HNNXBMFYSA-N 2 1 383.330 3.596 20 30 GHEDMP COc1ccc(NC(=[NH2+])NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000262014798 851149292 /nfs/dbraw/zinc/14/92/92/851149292.db2.gz KQYUNIWOINDCLE-AUUYWEPGSA-N 2 1 390.890 3.907 20 30 GHEDMP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(c3noc4cc(F)ccc43)CC2)CC1 ZINC000329850097 862372847 /nfs/dbraw/zinc/37/28/47/862372847.db2.gz QDODWSCGWHPAAV-UHFFFAOYSA-N 2 1 388.487 3.587 20 30 GHEDMP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000057847420 855763376 /nfs/dbraw/zinc/76/33/76/855763376.db2.gz PIZWPOKISFSXSY-HNNXBMFYSA-N 2 1 376.932 3.592 20 30 GHEDMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000174450779 857308848 /nfs/dbraw/zinc/30/88/48/857308848.db2.gz BQGOUWQJIIYUCL-UHFFFAOYSA-N 2 1 385.471 3.721 20 30 GHEDMP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(C#N)ccc3F)C2)ccn1 ZINC000856598615 881571575 /nfs/dbraw/zinc/57/15/75/881571575.db2.gz VXTYZQTYXHTSBX-OAQYLSRUSA-N 2 1 382.483 3.586 20 30 GHEDMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(C#N)ccc3F)C2)ccn1 ZINC000856598615 881571581 /nfs/dbraw/zinc/57/15/81/881571581.db2.gz VXTYZQTYXHTSBX-OAQYLSRUSA-N 2 1 382.483 3.586 20 30 GHEDMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)ccn1 ZINC000856598615 881571589 /nfs/dbraw/zinc/57/15/89/881571589.db2.gz VXTYZQTYXHTSBX-OAQYLSRUSA-N 2 1 382.483 3.586 20 30 GHEDMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)ccn1 ZINC000856598615 881571594 /nfs/dbraw/zinc/57/15/94/881571594.db2.gz VXTYZQTYXHTSBX-OAQYLSRUSA-N 2 1 382.483 3.586 20 30 GHEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000161707857 861178837 /nfs/dbraw/zinc/17/88/37/861178837.db2.gz IFSZSIALBPEPMF-KRWDZBQOSA-N 2 1 386.503 3.767 20 30 GHEDMP C=CC[NH+]1CCC(NC(=O)N(CCC)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000171739914 865351480 /nfs/dbraw/zinc/35/14/80/865351480.db2.gz DZDGCVDQAFHZPB-QHCPKHFHSA-N 2 1 398.595 3.723 20 30 GHEDMP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(C#N)cc2Br)CC1 ZINC000481112573 865815918 /nfs/dbraw/zinc/81/59/18/865815918.db2.gz RTUMBVMCWSHNBI-UHFFFAOYSA-N 2 1 394.357 3.644 20 30 GHEDMP C=CCOc1c(Br)cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1OC ZINC000093644423 872314186 /nfs/dbraw/zinc/31/41/86/872314186.db2.gz KKBSBYCHCFADMF-GDBMZVCRSA-N 2 1 397.357 3.937 20 30 GHEDMP C=CCOc1c(Br)cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1OC ZINC000093644423 872314206 /nfs/dbraw/zinc/31/42/06/872314206.db2.gz KKBSBYCHCFADMF-GDBMZVCRSA-N 2 1 397.357 3.937 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000093644423 872314222 /nfs/dbraw/zinc/31/42/22/872314222.db2.gz KKBSBYCHCFADMF-GDBMZVCRSA-N 2 1 397.357 3.937 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000093644423 872314237 /nfs/dbraw/zinc/31/42/37/872314237.db2.gz KKBSBYCHCFADMF-GDBMZVCRSA-N 2 1 397.357 3.937 20 30 GHEDMP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000619508437 872694263 /nfs/dbraw/zinc/69/42/63/872694263.db2.gz WJSIRSRDSSUURA-BJKOFHAPSA-N 2 1 375.516 3.552 20 30 GHEDMP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000619508437 872694272 /nfs/dbraw/zinc/69/42/72/872694272.db2.gz WJSIRSRDSSUURA-BJKOFHAPSA-N 2 1 375.516 3.552 20 30 GHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000153033810 873134537 /nfs/dbraw/zinc/13/45/37/873134537.db2.gz JTFBFJALCNUFSP-HNNXBMFYSA-N 2 1 399.457 3.932 20 30 GHEDMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(O[C@@H](C)C#N)cc3)CC2)oc1C ZINC000111412221 886229211 /nfs/dbraw/zinc/22/92/11/886229211.db2.gz XNWOEADHSPGIMO-INIZCTEOSA-N 2 1 382.508 3.584 20 30 GHEDMP N#CCOc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)cc1 ZINC001137116381 893515670 /nfs/dbraw/zinc/51/56/70/893515670.db2.gz BXYOLRMXTZEQAE-UHFFFAOYSA-N 2 1 397.544 3.517 20 30 GHEDMP N#CCOc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)cc1 ZINC001137116381 893515688 /nfs/dbraw/zinc/51/56/88/893515688.db2.gz BXYOLRMXTZEQAE-UHFFFAOYSA-N 2 1 397.544 3.517 20 30 GHEDMP Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH+]2CCC(C[NH+](C)C)CC2)c1C#N ZINC000331650783 899057802 /nfs/dbraw/zinc/05/78/02/899057802.db2.gz WMQJYIHSNBESST-UHFFFAOYSA-N 2 1 399.583 3.694 20 30 GHEDMP C=CCc1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000571434227 899866335 /nfs/dbraw/zinc/86/63/35/899866335.db2.gz LQJHBSLRJRWPNQ-FQEVSTJZSA-N 2 1 395.478 3.578 20 30 GHEDMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000600726362 902848964 /nfs/dbraw/zinc/84/89/64/902848964.db2.gz SOIBRNPMPFDTHP-QRQLOZEOSA-N 2 1 395.469 3.733 20 30 GHEDMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000600726362 902848965 /nfs/dbraw/zinc/84/89/65/902848965.db2.gz SOIBRNPMPFDTHP-QRQLOZEOSA-N 2 1 395.469 3.733 20 30 GHEDMP C#CC[N@@H+](CCCc1c[nH+]cn1C)[C@H]1CCOc2ccc(Br)cc21 ZINC000846804880 903229844 /nfs/dbraw/zinc/22/98/44/903229844.db2.gz RCEQZHSKAURUEB-SFHVURJKSA-N 2 1 388.309 3.574 20 30 GHEDMP C#CC[N@H+](CCCc1c[nH+]cn1C)[C@H]1CCOc2ccc(Br)cc21 ZINC000846804880 903229857 /nfs/dbraw/zinc/22/98/57/903229857.db2.gz RCEQZHSKAURUEB-SFHVURJKSA-N 2 1 388.309 3.574 20 30 GHEDMP C=CCOC(=O)N1CCC2(CCC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)CC1 ZINC001172113813 905362241 /nfs/dbraw/zinc/36/22/41/905362241.db2.gz MRGPYEJJHHRQMV-ACDBMABISA-N 2 1 375.557 3.502 20 30 GHEDMP C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)CC1 ZINC001172113813 905362263 /nfs/dbraw/zinc/36/22/63/905362263.db2.gz MRGPYEJJHHRQMV-ACDBMABISA-N 2 1 375.557 3.502 20 30 GHEDMP C=CCOC(=O)N1CCC2(CCC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)CC1 ZINC001172113813 905362278 /nfs/dbraw/zinc/36/22/78/905362278.db2.gz MRGPYEJJHHRQMV-ACDBMABISA-N 2 1 375.557 3.502 20 30 GHEDMP CC(=O)n1ccc2cc(C[C@@H](C)[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)cc(C#N)c21 ZINC001172118636 905375004 /nfs/dbraw/zinc/37/50/04/905375004.db2.gz SQQSDUKBWDXLQM-ZHHJKBAOSA-N 2 1 378.520 3.709 20 30 GHEDMP CC(=O)n1ccc2cc(C[C@@H](C)[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)cc(C#N)c21 ZINC001172118636 905375019 /nfs/dbraw/zinc/37/50/19/905375019.db2.gz SQQSDUKBWDXLQM-ZHHJKBAOSA-N 2 1 378.520 3.709 20 30 GHEDMP Cc1ccc([C@@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)[NH+](C)C)cc1 ZINC000303888167 915297981 /nfs/dbraw/zinc/29/79/81/915297981.db2.gz OSJIWOHBCCUYTL-QGZVFWFLSA-N 2 1 380.414 3.923 20 30 GHEDMP CCC[N@H+](CCCC1(C#N)CCOCC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000366844296 921775518 /nfs/dbraw/zinc/77/55/18/921775518.db2.gz IOWFBGSVVLZIPP-UHFFFAOYSA-N 2 1 399.583 3.875 20 30 GHEDMP CCC[N@@H+](CCCC1(C#N)CCOCC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000366844296 921775526 /nfs/dbraw/zinc/77/55/26/921775526.db2.gz IOWFBGSVVLZIPP-UHFFFAOYSA-N 2 1 399.583 3.875 20 30 GHEDMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000304475377 915516400 /nfs/dbraw/zinc/51/64/00/915516400.db2.gz HBWABCYQGOLGCK-XMSQKQJNSA-N 2 1 392.547 3.989 20 30 GHEDMP C[C@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)[N@H+](C)Cc1ccccc1 ZINC000304737991 915669077 /nfs/dbraw/zinc/66/90/77/915669077.db2.gz AOXNKOKOMNBGRY-CQSZACIVSA-N 2 1 380.414 3.832 20 30 GHEDMP C[C@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)[N@@H+](C)Cc1ccccc1 ZINC000304737991 915669084 /nfs/dbraw/zinc/66/90/84/915669084.db2.gz AOXNKOKOMNBGRY-CQSZACIVSA-N 2 1 380.414 3.832 20 30 GHEDMP COc1cc(C[NH+]2CCC(C)(C#N)CC2)cc(C[NH+]2CCC(C)(C#N)CC2)c1 ZINC000292849570 915872886 /nfs/dbraw/zinc/87/28/86/915872886.db2.gz FXDGCMFCXSXAIN-UHFFFAOYSA-N 2 1 380.536 3.947 20 30 GHEDMP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1C#N ZINC000781422968 930838625 /nfs/dbraw/zinc/83/86/25/930838625.db2.gz OEGGGXQWMRGIAC-AKIFATBCSA-N 2 1 375.516 3.957 20 30 GHEDMP C[NH+]1CCN(C2CC[NH+](Cc3ccc(Oc4ccc(C#N)cc4)cc3)CC2)CC1 ZINC001141294030 1024426433 /nfs/dbraw/zinc/42/64/33/1024426433.db2.gz SOTYXDIXBOFXPC-UHFFFAOYSA-N 2 1 390.531 3.562 20 30 GHEDMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001139527809 1026384880 /nfs/dbraw/zinc/38/48/80/1026384880.db2.gz POYAWAJPSPDYHK-KJXAQDMKSA-N 2 1 378.495 3.825 20 30 GHEDMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001139527809 1026384892 /nfs/dbraw/zinc/38/48/92/1026384892.db2.gz POYAWAJPSPDYHK-KJXAQDMKSA-N 2 1 378.495 3.825 20 30 GHEDMP CSc1nc(C[NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)ccc1C#N ZINC001141937238 1027706511 /nfs/dbraw/zinc/70/65/11/1027706511.db2.gz RXYHJKHBXBMUAO-UHFFFAOYSA-N 2 1 382.533 3.756 20 30 GHEDMP CSc1nc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)ccc1C#N ZINC001141937238 1027706526 /nfs/dbraw/zinc/70/65/26/1027706526.db2.gz RXYHJKHBXBMUAO-UHFFFAOYSA-N 2 1 382.533 3.756 20 30 GHEDMP N#Cc1ccc(CC[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)cc1 ZINC001208923359 1035090518 /nfs/dbraw/zinc/09/05/18/1035090518.db2.gz PHCLEGUEFMWQDB-RPBOFIJWSA-N 2 1 393.575 3.561 20 30 GHEDMP N#Cc1ccc(CC[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)cc1 ZINC001208923359 1035090527 /nfs/dbraw/zinc/09/05/27/1035090527.db2.gz PHCLEGUEFMWQDB-RPBOFIJWSA-N 2 1 393.575 3.561 20 30 GHEDMP N#Cc1ccc(CC[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)cc1 ZINC001208923359 1035090536 /nfs/dbraw/zinc/09/05/36/1035090536.db2.gz PHCLEGUEFMWQDB-RPBOFIJWSA-N 2 1 393.575 3.561 20 30 GHEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208945925 1035116647 /nfs/dbraw/zinc/11/66/47/1035116647.db2.gz OEROBBIHDGGOPY-KMDXXIMOSA-N 2 1 384.564 3.582 20 30 GHEDMP C=CCOC[C@]12CCCO[C@H]1CC[NH+](C[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208945925 1035116655 /nfs/dbraw/zinc/11/66/55/1035116655.db2.gz OEROBBIHDGGOPY-KMDXXIMOSA-N 2 1 384.564 3.582 20 30 GHEDMP C=CCOC[C@]12CCCO[C@H]1CC[NH+](C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208945925 1035116661 /nfs/dbraw/zinc/11/66/61/1035116661.db2.gz OEROBBIHDGGOPY-KMDXXIMOSA-N 2 1 384.564 3.582 20 30 GHEDMP CCCCCCC[C@@H](C)C(=O)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161197827 1035176912 /nfs/dbraw/zinc/17/69/12/1035176912.db2.gz FUGDUIVFYNXACB-OAQYLSRUSA-N 2 1 395.632 3.534 20 30 GHEDMP C=CCCCC[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCc2cccnc2)C1 ZINC001209200577 1035206778 /nfs/dbraw/zinc/20/67/78/1035206778.db2.gz LLSPWHCVBCGBMU-ZEQRLZLVSA-N 2 1 383.580 3.988 20 30 GHEDMP C=CCCCC[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001209200577 1035206781 /nfs/dbraw/zinc/20/67/81/1035206781.db2.gz LLSPWHCVBCGBMU-ZEQRLZLVSA-N 2 1 383.580 3.988 20 30 GHEDMP C=CCCCC[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001209200577 1035206784 /nfs/dbraw/zinc/20/67/84/1035206784.db2.gz LLSPWHCVBCGBMU-ZEQRLZLVSA-N 2 1 383.580 3.988 20 30 GHEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H](C)CCc1c(F)cc(Cl)cc1F ZINC001246302621 1037284137 /nfs/dbraw/zinc/28/41/37/1037284137.db2.gz DPWNJZULUBZKGQ-ACJLOTCBSA-N 2 1 388.886 3.756 20 30 GHEDMP N#CC(c1ccccc1)(c1ccccc1)[C@@H]1CC[N@H+]([C@@H]2CSC3(C[NH2+]C3)C2)C1 ZINC001246899182 1037712711 /nfs/dbraw/zinc/71/27/11/1037712711.db2.gz XBDKDBWBQUARSD-YADHBBJMSA-N 2 1 389.568 3.666 20 30 GHEDMP CCCCCCCC[C@H](O)C[NH+]1CCC2(CCC[N@@H+]2Cc2cnn(C)c2)CC1 ZINC001252125438 1038870826 /nfs/dbraw/zinc/87/08/26/1038870826.db2.gz DFSSNQDDGBQHKU-QFIPXVFZSA-N 2 1 390.616 3.962 20 30 GHEDMP CCCCCCCC[C@H](O)C[NH+]1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001252125438 1038870849 /nfs/dbraw/zinc/87/08/49/1038870849.db2.gz DFSSNQDDGBQHKU-QFIPXVFZSA-N 2 1 390.616 3.962 20 30 GHEDMP C=CCN1CC[C@@]2(CCCN([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)C1=O ZINC001255141995 1040852346 /nfs/dbraw/zinc/85/23/46/1040852346.db2.gz PAQFJLOCJNZKSU-STAYPELNSA-N 2 1 393.575 3.683 20 30 GHEDMP C=CCN1CC[C@@]2(CCC[N@@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)C1=O ZINC001255141995 1040852361 /nfs/dbraw/zinc/85/23/61/1040852361.db2.gz PAQFJLOCJNZKSU-STAYPELNSA-N 2 1 393.575 3.683 20 30 GHEDMP C=CCN1CC[C@@]2(CCC[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)C1=O ZINC001255141995 1040852376 /nfs/dbraw/zinc/85/23/76/1040852376.db2.gz PAQFJLOCJNZKSU-STAYPELNSA-N 2 1 393.575 3.683 20 30 GHEDMP C=CCN1CC[C@@]2(CCC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)C1=O ZINC001255141995 1040852390 /nfs/dbraw/zinc/85/23/90/1040852390.db2.gz PAQFJLOCJNZKSU-STAYPELNSA-N 2 1 393.575 3.683 20 30 GHEDMP C=CCN1CC[C@@]2(CCC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)C1=O ZINC001255141995 1040852407 /nfs/dbraw/zinc/85/24/07/1040852407.db2.gz PAQFJLOCJNZKSU-STAYPELNSA-N 2 1 393.575 3.683 20 30 GHEDMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ccccc1CC#N)CC2 ZINC001235514382 1040970940 /nfs/dbraw/zinc/97/09/40/1040970940.db2.gz OZDKYOSTZLQKPC-NRFANRHFSA-N 2 1 379.504 3.601 20 30 GHEDMP C=CCOC(=O)N1CC2(C1)CC[NH+]([C@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001256537403 1043485123 /nfs/dbraw/zinc/48/51/23/1043485123.db2.gz NJRZQOJWKPEHDN-UNMCSNQZSA-N 2 1 397.563 3.760 20 30 GHEDMP C=CCOC(=O)N1CC2(C1)CC[NH+]([C@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001256537403 1043485133 /nfs/dbraw/zinc/48/51/33/1043485133.db2.gz NJRZQOJWKPEHDN-UNMCSNQZSA-N 2 1 397.563 3.760 20 30 GHEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCc2ccccn2)C1 ZINC001258728999 1044735909 /nfs/dbraw/zinc/73/59/09/1044735909.db2.gz RVXTXJATEAHIOW-JCTONOIOSA-N 2 1 383.580 3.987 20 30 GHEDMP C=CCC[C@@H](C)[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1ccccn1 ZINC001258728999 1044735923 /nfs/dbraw/zinc/73/59/23/1044735923.db2.gz RVXTXJATEAHIOW-JCTONOIOSA-N 2 1 383.580 3.987 20 30 GHEDMP C=CCC[C@@H](C)[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1ccccn1 ZINC001258728999 1044735936 /nfs/dbraw/zinc/73/59/36/1044735936.db2.gz RVXTXJATEAHIOW-JCTONOIOSA-N 2 1 383.580 3.987 20 30 GHEDMP Cc1[nH+]c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)ccc1CC#N ZINC001165029672 721825817 /nfs/dbraw/zinc/82/58/17/721825817.db2.gz XLCVZDDERLGXRN-KSEOMHKRSA-N 2 1 375.520 3.588 20 30 GHEDMP Cc1[nH+]c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)ccc1CC#N ZINC001165029672 721825818 /nfs/dbraw/zinc/82/58/18/721825818.db2.gz XLCVZDDERLGXRN-KSEOMHKRSA-N 2 1 375.520 3.588 20 30 GHEDMP N#CCCn1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c(-c2ccncc2)n1 ZINC000278562674 835400117 /nfs/dbraw/zinc/40/01/17/835400117.db2.gz COKKVDOHLWATHJ-UHFFFAOYSA-N 2 1 392.551 3.745 20 30 GHEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000158974262 839502713 /nfs/dbraw/zinc/50/27/13/839502713.db2.gz NRSAYMCWYKNNDQ-KRWDZBQOSA-N 2 1 388.581 3.925 20 30 GHEDMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(O[C@@H](C)C#N)cc3)CC2)cs1 ZINC000111397456 840616505 /nfs/dbraw/zinc/61/65/05/840616505.db2.gz XURHMHZDCSVFSW-KRWDZBQOSA-N 2 1 398.576 3.998 20 30 GHEDMP C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185685899 861196327 /nfs/dbraw/zinc/19/63/27/861196327.db2.gz GVOQAMCSXQQXOZ-PKJQDIMKSA-N 2 1 388.600 3.548 20 30 GHEDMP C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185685899 861196330 /nfs/dbraw/zinc/19/63/30/861196330.db2.gz GVOQAMCSXQQXOZ-PKJQDIMKSA-N 2 1 388.600 3.548 20 30 GHEDMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCCc4cc(C#N)ccc43)cc2)CC1 ZINC000481928325 862534200 /nfs/dbraw/zinc/53/42/00/862534200.db2.gz QZWZRLOOGIEBDE-RUZDIDTESA-N 2 1 388.559 3.863 20 30 GHEDMP C=CC[NH+]1CCC(NC(=O)N(CC)[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000473961365 854440423 /nfs/dbraw/zinc/44/04/23/854440423.db2.gz WNIPSMUJBSWJKU-DENIHFKCSA-N 2 1 384.568 3.504 20 30 GHEDMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000482164145 862764086 /nfs/dbraw/zinc/76/40/86/862764086.db2.gz OHVSPDAEFCIWGQ-JAXLGGSGSA-N 2 1 384.568 3.812 20 30 GHEDMP C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000592294723 856767430 /nfs/dbraw/zinc/76/74/30/856767430.db2.gz IZIVJZDOIQSEPM-HXUWFJFHSA-N 2 1 398.595 3.901 20 30 GHEDMP C[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CCN1c1cc[nH+]cc1 ZINC000895557405 859651763 /nfs/dbraw/zinc/65/17/63/859651763.db2.gz PDRHISUVQXOQNO-LJQANCHMSA-N 2 1 386.503 3.569 20 30 GHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000153015640 881529719 /nfs/dbraw/zinc/52/97/19/881529719.db2.gz HFYPDONDTLJARQ-OAHLLOKOSA-N 2 1 379.932 3.696 20 30 GHEDMP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CC#Cc3cccc(Cl)c3)C2)ccn1 ZINC000856586508 881560294 /nfs/dbraw/zinc/56/02/94/881560294.db2.gz RYAKASKEOJBRBO-QFIPXVFZSA-N 2 1 383.923 3.692 20 30 GHEDMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CC#Cc3cccc(Cl)c3)C2)ccn1 ZINC000856586508 881560298 /nfs/dbraw/zinc/56/02/98/881560298.db2.gz RYAKASKEOJBRBO-QFIPXVFZSA-N 2 1 383.923 3.692 20 30 GHEDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C2)ccn1 ZINC000856586508 881560302 /nfs/dbraw/zinc/56/03/02/881560302.db2.gz RYAKASKEOJBRBO-QFIPXVFZSA-N 2 1 383.923 3.692 20 30 GHEDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C2)ccn1 ZINC000856586508 881560304 /nfs/dbraw/zinc/56/03/04/881560304.db2.gz RYAKASKEOJBRBO-QFIPXVFZSA-N 2 1 383.923 3.692 20 30 GHEDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000120823519 881774385 /nfs/dbraw/zinc/77/43/85/881774385.db2.gz GTRYXFVUYXDELK-HXUWFJFHSA-N 2 1 379.552 3.921 20 30 GHEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCCCC2)cc1 ZINC000183139795 866268062 /nfs/dbraw/zinc/26/80/62/866268062.db2.gz PBXHRVYZKCGPRJ-IRXDYDNUSA-N 2 1 379.508 3.563 20 30 GHEDMP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c1=S ZINC000842617305 882053286 /nfs/dbraw/zinc/05/32/86/882053286.db2.gz OZHZHJNVUCASPP-OALUTQOASA-N 2 1 389.613 3.850 20 30 GHEDMP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)c1=S ZINC000842617305 882053301 /nfs/dbraw/zinc/05/33/01/882053301.db2.gz OZHZHJNVUCASPP-OALUTQOASA-N 2 1 389.613 3.850 20 30 GHEDMP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1)c1ccc(C#N)cc1 ZINC000447543233 871813425 /nfs/dbraw/zinc/81/34/25/871813425.db2.gz LFPKUFPYHUQODR-DEOSSOPVSA-N 2 1 376.548 3.937 20 30 GHEDMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3ccc(C#N)c(F)c3)cc2)CC1 ZINC000540707279 871946284 /nfs/dbraw/zinc/94/62/84/871946284.db2.gz ROMDPNGMYRCODB-SFHVURJKSA-N 2 1 380.511 3.686 20 30 GHEDMP C=CCOc1c(Br)cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1OC ZINC000093644426 872314804 /nfs/dbraw/zinc/31/48/04/872314804.db2.gz KKBSBYCHCFADMF-HOCLYGCPSA-N 2 1 397.357 3.937 20 30 GHEDMP C=CCOc1c(Br)cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1OC ZINC000093644426 872314814 /nfs/dbraw/zinc/31/48/14/872314814.db2.gz KKBSBYCHCFADMF-HOCLYGCPSA-N 2 1 397.357 3.937 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000093644426 872314826 /nfs/dbraw/zinc/31/48/26/872314826.db2.gz KKBSBYCHCFADMF-HOCLYGCPSA-N 2 1 397.357 3.937 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000093644426 872314836 /nfs/dbraw/zinc/31/48/36/872314836.db2.gz KKBSBYCHCFADMF-HOCLYGCPSA-N 2 1 397.357 3.937 20 30 GHEDMP N#Cc1ccc(NC(=O)C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1Cl ZINC000443604074 874298084 /nfs/dbraw/zinc/29/80/84/874298084.db2.gz SBBWZLWESPRDJC-UHFFFAOYSA-N 2 1 388.943 3.738 20 30 GHEDMP FC(F)(F)Oc1ccc(C#CCN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246563848 879687846 /nfs/dbraw/zinc/68/78/46/879687846.db2.gz LCDRMVPSFZWVFQ-PXNSSMCTSA-N 2 1 378.438 3.885 20 30 GHEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]C[C@H](O)c3ccc(C#N)cc3)cc2)C1 ZINC000763230217 888365261 /nfs/dbraw/zinc/36/52/61/888365261.db2.gz GMZJLBBSEZYWGC-GLDPYIMESA-N 2 1 377.532 3.859 20 30 GHEDMP CC(=O)[C@](C#N)(CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000878528267 894362543 /nfs/dbraw/zinc/36/25/43/894362543.db2.gz MIWSJNYNXPUMFD-XMMPIXPASA-N 2 1 390.531 3.839 20 30 GHEDMP COc1ccc([C@H](CCC#N)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000578601458 904000655 /nfs/dbraw/zinc/00/06/55/904000655.db2.gz CRFPJCDNFJFCIB-LEWJYISDSA-N 2 1 398.576 3.680 20 30 GHEDMP C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172114043 905363791 /nfs/dbraw/zinc/36/37/91/905363791.db2.gz OFXAZCKQRMOHSZ-PMOLBWCYSA-N 2 1 375.557 3.502 20 30 GHEDMP N#Cc1ccc([C@H](O)CN2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000248008087 911590150 /nfs/dbraw/zinc/59/01/50/911590150.db2.gz KZWHCXKZPMNNET-TZRRMPRUSA-N 2 1 375.516 3.578 20 30 GHEDMP N#Cc1ccc([C@H](O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000248008087 911590159 /nfs/dbraw/zinc/59/01/59/911590159.db2.gz KZWHCXKZPMNNET-TZRRMPRUSA-N 2 1 375.516 3.578 20 30 GHEDMP N#Cc1ccc([C@H](O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000248008087 911590165 /nfs/dbraw/zinc/59/01/65/911590165.db2.gz KZWHCXKZPMNNET-TZRRMPRUSA-N 2 1 375.516 3.578 20 30 GHEDMP N#Cc1ccc([C@H](O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000248008087 911590175 /nfs/dbraw/zinc/59/01/75/911590175.db2.gz KZWHCXKZPMNNET-TZRRMPRUSA-N 2 1 375.516 3.578 20 30 GHEDMP N#Cc1ccc([C@H](O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000248008087 911590184 /nfs/dbraw/zinc/59/01/84/911590184.db2.gz KZWHCXKZPMNNET-TZRRMPRUSA-N 2 1 375.516 3.578 20 30 GHEDMP COc1ccc(NC(=[NH2+])NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1Cl ZINC000303721208 915086933 /nfs/dbraw/zinc/08/69/33/915086933.db2.gz XIEQRACWDPEECL-MRXNPFEDSA-N 2 1 376.888 3.895 20 30 GHEDMP CCc1nc(C[NH+]2CCC(C[NH+]=C(NCc3ccccc3)N(C)C)CC2)cs1 ZINC000304743503 915669261 /nfs/dbraw/zinc/66/92/61/915669261.db2.gz DCZNYBQHJMSNIN-UHFFFAOYSA-N 2 1 399.608 3.625 20 30 GHEDMP Cc1ccc([C@@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)[NH+](C)C)cc1 ZINC000305181962 915980653 /nfs/dbraw/zinc/98/06/53/915980653.db2.gz BPCHGZGQZBHDCU-MRXNPFEDSA-N 2 1 380.414 3.923 20 30 GHEDMP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000467759006 929379959 /nfs/dbraw/zinc/37/99/59/929379959.db2.gz LFYAGBGHFYNULS-PZJWPPBQSA-N 2 1 386.584 3.895 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH+]2CCC(C[NH3+])CC2)cc1OCC ZINC000469837247 930193486 /nfs/dbraw/zinc/19/34/86/930193486.db2.gz XXMJQTAJCCDDQS-UHFFFAOYSA-N 2 1 383.330 3.583 20 30 GHEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001207289714 1034240786 /nfs/dbraw/zinc/24/07/86/1034240786.db2.gz WXSJTLMQEGDBNY-VWLOTQADSA-N 2 1 395.591 3.932 20 30 GHEDMP CN(CCC#N)c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001231821170 1034929531 /nfs/dbraw/zinc/92/95/31/1034929531.db2.gz ROXIJPYCUKIECD-DNQXCXABSA-N 2 1 388.559 3.990 20 30 GHEDMP CN(CCC#N)c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001231821170 1034929532 /nfs/dbraw/zinc/92/95/32/1034929532.db2.gz ROXIJPYCUKIECD-DNQXCXABSA-N 2 1 388.559 3.990 20 30 GHEDMP CN(CCC#N)c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001231821170 1034929534 /nfs/dbraw/zinc/92/95/34/1034929534.db2.gz ROXIJPYCUKIECD-DNQXCXABSA-N 2 1 388.559 3.990 20 30 GHEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](C[C@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208938109 1035104875 /nfs/dbraw/zinc/10/48/75/1035104875.db2.gz UVSBOAPMPWHGDX-ZCYQVOJMSA-N 2 1 395.591 3.932 20 30 GHEDMP C=CCN1C(=O)CCC[C@@]12CCC[NH+](C[C@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001208938109 1035104878 /nfs/dbraw/zinc/10/48/78/1035104878.db2.gz UVSBOAPMPWHGDX-ZCYQVOJMSA-N 2 1 395.591 3.932 20 30 GHEDMP C=CCN1C(=O)CCC[C@@]12CCC[NH+](C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208938109 1035104883 /nfs/dbraw/zinc/10/48/83/1035104883.db2.gz UVSBOAPMPWHGDX-ZCYQVOJMSA-N 2 1 395.591 3.932 20 30 GHEDMP C=CCCCCCCC[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2CC2CC2)C1 ZINC001209440267 1035274543 /nfs/dbraw/zinc/27/45/43/1035274543.db2.gz BNTVTBZOKOXTJQ-VJBWXMMDSA-N 2 1 385.600 3.980 20 30 GHEDMP C=CCCCCCCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001209440267 1035274546 /nfs/dbraw/zinc/27/45/46/1035274546.db2.gz BNTVTBZOKOXTJQ-VJBWXMMDSA-N 2 1 385.600 3.980 20 30 GHEDMP C=CCCCCCCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001209440267 1035274548 /nfs/dbraw/zinc/27/45/48/1035274548.db2.gz BNTVTBZOKOXTJQ-VJBWXMMDSA-N 2 1 385.600 3.980 20 30 GHEDMP N#Cc1cnc(NCC[NH+]2CCC([NH3+])CC2)c2cc(-c3ccccc3)sc21 ZINC001161867860 1035318010 /nfs/dbraw/zinc/31/80/10/1035318010.db2.gz SKJYTUGAUNHMCE-UHFFFAOYSA-N 2 1 377.517 3.670 20 30 GHEDMP C=CCOC(=O)N1CCCC2(CC[NH+]([C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)CC2)C1 ZINC001246527209 1037461189 /nfs/dbraw/zinc/46/11/89/1037461189.db2.gz SROIHFMXSOSIMM-FGZHOGPDSA-N 2 1 397.563 3.980 20 30 GHEDMP Cc1cc(F)ccc1[C@H]1C[C@H]([NH+]2CCN(c3ccc(C#N)cc3)CC2)CCN1 ZINC001246785438 1037625540 /nfs/dbraw/zinc/62/55/40/1037625540.db2.gz BCOPWBPQIFFMAU-FYYLOGMGSA-N 2 1 378.495 3.621 20 30 GHEDMP N#Cc1ccccc1O[C@@H]1CCC[N@@H+]([C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C1 ZINC001246844270 1037671759 /nfs/dbraw/zinc/67/17/59/1037671759.db2.gz LMAZNLGGIJNFGO-RJGXRXQPSA-N 2 1 375.516 3.765 20 30 GHEDMP N#Cc1ccccc1O[C@@H]1CCC[N@H+]([C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C1 ZINC001246844270 1037671773 /nfs/dbraw/zinc/67/17/73/1037671773.db2.gz LMAZNLGGIJNFGO-RJGXRXQPSA-N 2 1 375.516 3.765 20 30 GHEDMP C=CCCCCCC[C@H](O)C[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001253237833 1039494918 /nfs/dbraw/zinc/49/49/18/1039494918.db2.gz NJWCVLYBQCNMCZ-XPWALMASSA-N 2 1 378.601 3.554 20 30 GHEDMP C=CCCCCCC[C@H](O)C[N@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001253237833 1039494922 /nfs/dbraw/zinc/49/49/22/1039494922.db2.gz NJWCVLYBQCNMCZ-XPWALMASSA-N 2 1 378.601 3.554 20 30 GHEDMP C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001253237833 1039494932 /nfs/dbraw/zinc/49/49/32/1039494932.db2.gz NJWCVLYBQCNMCZ-XPWALMASSA-N 2 1 378.601 3.554 20 30 GHEDMP N#Cc1ccc(C[N@@H+]([C@@H]2CCN(Cc3ccccc3)C2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001255106197 1040787617 /nfs/dbraw/zinc/78/76/17/1040787617.db2.gz OIIQOYXQSNJENK-UBFVSLLYSA-N 2 1 388.559 3.905 20 30 GHEDMP C=CCC[N@@H+](Cc1ccccc1)Cc1cnc2cc(C3CC[NH2+]CC3)nn2c1 ZINC001235703031 1041183054 /nfs/dbraw/zinc/18/30/54/1041183054.db2.gz OTRJWKLPSQQEKL-UHFFFAOYSA-N 2 1 375.520 3.775 20 30 GHEDMP N#Cc1ccc(Br)c(C[N@@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)c1 ZINC001235972720 1041477282 /nfs/dbraw/zinc/47/72/82/1041477282.db2.gz IVHXLVQXOIYPPT-UHFFFAOYSA-N 2 1 396.332 3.958 20 30 GHEDMP N#Cc1ccc(Br)c(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)c1 ZINC001235972720 1041477289 /nfs/dbraw/zinc/47/72/89/1041477289.db2.gz IVHXLVQXOIYPPT-UHFFFAOYSA-N 2 1 396.332 3.958 20 30 GHEDMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1cn3cc(C#N)ccc3n1)CC2 ZINC001237605121 1042278730 /nfs/dbraw/zinc/27/87/30/1042278730.db2.gz VMDJNLFRGYBFAY-NRFANRHFSA-N 2 1 389.503 3.676 20 30 GHEDMP C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2ccc(C(=O)N3CC[NH2+]CC3)cc2)cc1 ZINC001240135581 1042895371 /nfs/dbraw/zinc/89/53/71/1042895371.db2.gz MHEFGGWOILBAOP-HSZRJFAPSA-N 2 1 375.516 3.722 20 30 GHEDMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000603857044 861281604 /nfs/dbraw/zinc/28/16/04/861281604.db2.gz OUHYQMVJUADENT-UHFFFAOYSA-N 2 1 398.595 3.994 20 30 GHEDMP C(#CC[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1)C[NH+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000661876461 842273602 /nfs/dbraw/zinc/27/36/02/842273602.db2.gz UDWIFJJOGNOQJQ-WAPCQROESA-N 2 1 388.596 3.552 20 30 GHEDMP C(#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1)C[NH+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000661876461 842273611 /nfs/dbraw/zinc/27/36/11/842273611.db2.gz UDWIFJJOGNOQJQ-WAPCQROESA-N 2 1 388.596 3.552 20 30 GHEDMP C(#CC[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1)C[NH+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000661876461 842273622 /nfs/dbraw/zinc/27/36/22/842273622.db2.gz UDWIFJJOGNOQJQ-WAPCQROESA-N 2 1 388.596 3.552 20 30 GHEDMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3ccc(C#N)c(F)c3)cc2)CC1 ZINC000540707278 846899552 /nfs/dbraw/zinc/89/95/52/846899552.db2.gz ROMDPNGMYRCODB-GOSISDBHSA-N 2 1 380.511 3.686 20 30 GHEDMP CCN1CCC[C@@H](C[N@H+](C)CC#Cc2ccc(Cl)cc2)[C@@H]1c1cnn(C)c1 ZINC000434734087 851553937 /nfs/dbraw/zinc/55/39/37/851553937.db2.gz DOFNTCWNBKEQLV-SIKLNZKXSA-N 2 1 384.955 3.830 20 30 GHEDMP CCN1CCC[C@@H](C[N@@H+](C)CC#Cc2ccc(Cl)cc2)[C@@H]1c1cnn(C)c1 ZINC000434734087 851553943 /nfs/dbraw/zinc/55/39/43/851553943.db2.gz DOFNTCWNBKEQLV-SIKLNZKXSA-N 2 1 384.955 3.830 20 30 GHEDMP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(C4(C#N)CC4)cc3)cc2)CC1 ZINC000594927158 858306720 /nfs/dbraw/zinc/30/67/20/858306720.db2.gz YOIGNBKYGTYBNS-UHFFFAOYSA-N 2 1 388.559 3.669 20 30 GHEDMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCCc4cc(C#N)ccc43)cc2)CC1 ZINC000611390667 859735189 /nfs/dbraw/zinc/73/51/89/859735189.db2.gz NMAFUFBHVASYFO-VWLOTQADSA-N 2 1 388.559 3.863 20 30 GHEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000123333420 859929391 /nfs/dbraw/zinc/92/93/91/859929391.db2.gz YWDRTOBLRGBIMM-KDURUIRLSA-N 2 1 387.531 3.974 20 30 GHEDMP CC(C)(C#N)C[C@H](O)C[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000598628041 860474697 /nfs/dbraw/zinc/47/46/97/860474697.db2.gz KORVFUJDQDSTCF-VXKWHMMOSA-N 2 1 383.580 3.910 20 30 GHEDMP Cc1cc(C#N)ccc1C[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856604130 881581986 /nfs/dbraw/zinc/58/19/86/881581986.db2.gz JRMVJBAXZSMTKS-HSZRJFAPSA-N 2 1 378.520 3.755 20 30 GHEDMP Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856604130 881582003 /nfs/dbraw/zinc/58/20/03/881582003.db2.gz JRMVJBAXZSMTKS-HSZRJFAPSA-N 2 1 378.520 3.755 20 30 GHEDMP Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856604130 881582013 /nfs/dbraw/zinc/58/20/13/881582013.db2.gz JRMVJBAXZSMTKS-HSZRJFAPSA-N 2 1 378.520 3.755 20 30 GHEDMP COc1cc(C#N)ccc1OCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183151459 866255389 /nfs/dbraw/zinc/25/53/89/866255389.db2.gz TYNNPISQSYOJRO-INIZCTEOSA-N 2 1 376.460 3.791 20 30 GHEDMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc(C#N)cc2OC)CC1 ZINC000181635247 871319523 /nfs/dbraw/zinc/31/95/23/871319523.db2.gz LGDGZMFQWNXKFE-QGZVFWFLSA-N 2 1 396.510 3.699 20 30 GHEDMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000540707108 871946589 /nfs/dbraw/zinc/94/65/89/871946589.db2.gz OXHKCXIMSWVNSA-WZONZLPQSA-N 2 1 380.511 3.727 20 30 GHEDMP C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498858515 885958507 /nfs/dbraw/zinc/95/85/07/885958507.db2.gz VBRBSYZHXTWNDS-JTHBVZDNSA-N 2 1 386.580 3.599 20 30 GHEDMP C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498858515 885958514 /nfs/dbraw/zinc/95/85/14/885958514.db2.gz VBRBSYZHXTWNDS-JTHBVZDNSA-N 2 1 386.580 3.599 20 30 GHEDMP CCCCCCC[N@H+]1C[C@@H](O)C[C@H]1c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC001211975240 888763186 /nfs/dbraw/zinc/76/31/86/888763186.db2.gz AJCIIFYBTPSIMU-PMACEKPBSA-N 2 1 386.540 3.876 20 30 GHEDMP N#CCOc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cc1 ZINC001137124177 893718516 /nfs/dbraw/zinc/71/85/16/893718516.db2.gz SNZGAOBHYGBPRR-PKTZIBPZSA-N 2 1 375.516 3.933 20 30 GHEDMP N#CCOc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cc1 ZINC001137124177 893718521 /nfs/dbraw/zinc/71/85/21/893718521.db2.gz SNZGAOBHYGBPRR-PKTZIBPZSA-N 2 1 375.516 3.933 20 30 GHEDMP N#CCOc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)cc1 ZINC001137124177 893718536 /nfs/dbraw/zinc/71/85/36/893718536.db2.gz SNZGAOBHYGBPRR-PKTZIBPZSA-N 2 1 375.516 3.933 20 30 GHEDMP C[NH+](CC1=CCSC1)Cc1cc(C#N)cc(C[N@@H+](C)CC2=CCSC2)c1 ZINC000878998766 894772912 /nfs/dbraw/zinc/77/29/12/894772912.db2.gz UWZITGHHRNRMMD-UHFFFAOYSA-N 2 1 385.602 3.768 20 30 GHEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000817984508 895992790 /nfs/dbraw/zinc/99/27/90/895992790.db2.gz ZHOBIVRJHLKLMF-KKXNLOMOSA-N 2 1 377.960 3.685 20 30 GHEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@@H]1C ZINC000331377943 898440681 /nfs/dbraw/zinc/44/06/81/898440681.db2.gz FLTOCZFTJYECDC-JKSUJKDBSA-N 2 1 388.581 3.632 20 30 GHEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@@H]1C ZINC000331377943 898440687 /nfs/dbraw/zinc/44/06/87/898440687.db2.gz FLTOCZFTJYECDC-JKSUJKDBSA-N 2 1 388.581 3.632 20 30 GHEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@@H]1C ZINC000331377943 898440698 /nfs/dbraw/zinc/44/06/98/898440698.db2.gz FLTOCZFTJYECDC-JKSUJKDBSA-N 2 1 388.581 3.632 20 30 GHEDMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)[C@@H](C)C1 ZINC000571846757 899988958 /nfs/dbraw/zinc/98/89/58/899988958.db2.gz GTEXWFAXYMQWCG-HNAYVOBHSA-N 2 1 383.458 3.804 20 30 GHEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)[C@@H](C)C1 ZINC000571846757 899988961 /nfs/dbraw/zinc/98/89/61/899988961.db2.gz GTEXWFAXYMQWCG-HNAYVOBHSA-N 2 1 383.458 3.804 20 30 GHEDMP C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001171216285 902727952 /nfs/dbraw/zinc/72/79/52/902727952.db2.gz HGPYTBOXKBXXOA-OAQYLSRUSA-N 2 1 389.543 3.856 20 30 GHEDMP N#Cc1ccc(C[N@@H+](C2CCN(CC(F)(F)F)CC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001173666331 906603219 /nfs/dbraw/zinc/60/32/19/906603219.db2.gz NUATYYDELNEKEP-WGSAOQKQSA-N 2 1 394.485 3.657 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000363371291 918164560 /nfs/dbraw/zinc/16/45/60/918164560.db2.gz DXTBMYSPUQVHQB-HOTGVXAUSA-N 2 1 395.341 3.739 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000363371291 918164568 /nfs/dbraw/zinc/16/45/68/918164568.db2.gz DXTBMYSPUQVHQB-HOTGVXAUSA-N 2 1 395.341 3.739 20 30 GHEDMP C[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411512685 926469626 /nfs/dbraw/zinc/46/96/26/926469626.db2.gz BNQNGKXZHADUIA-DOTOQJQBSA-N 2 1 388.943 3.783 20 30 GHEDMP C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH2+]C(C)(C)C[NH+]3CCCC3)sc2C1 ZINC000411878979 926880576 /nfs/dbraw/zinc/88/05/76/926880576.db2.gz ROAWPNHUSFBUPU-HNNXBMFYSA-N 2 1 388.581 3.537 20 30 GHEDMP C=CCOc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)cc1Cl ZINC000560612095 933386933 /nfs/dbraw/zinc/38/69/33/933386933.db2.gz XZDWPXKLNXQIAG-DFNIBXOVSA-N 2 1 378.944 3.978 20 30 GHEDMP C=CCOc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)cc1Cl ZINC000560612095 933386942 /nfs/dbraw/zinc/38/69/42/933386942.db2.gz XZDWPXKLNXQIAG-DFNIBXOVSA-N 2 1 378.944 3.978 20 30 GHEDMP C=CCOc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)cc1Cl ZINC000560612095 933386946 /nfs/dbraw/zinc/38/69/46/933386946.db2.gz XZDWPXKLNXQIAG-DFNIBXOVSA-N 2 1 378.944 3.978 20 30 GHEDMP C#CCOc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001138559444 1025021399 /nfs/dbraw/zinc/02/13/99/1025021399.db2.gz VCODACFEQNAKIB-FTBPSBKWSA-N 2 1 389.543 3.826 20 30 GHEDMP C#CCOc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001138559444 1025021409 /nfs/dbraw/zinc/02/14/09/1025021409.db2.gz VCODACFEQNAKIB-FTBPSBKWSA-N 2 1 389.543 3.826 20 30 GHEDMP C#CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001138559444 1025021415 /nfs/dbraw/zinc/02/14/15/1025021415.db2.gz VCODACFEQNAKIB-FTBPSBKWSA-N 2 1 389.543 3.826 20 30 GHEDMP C#CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001138559444 1025021423 /nfs/dbraw/zinc/02/14/23/1025021423.db2.gz VCODACFEQNAKIB-FTBPSBKWSA-N 2 1 389.543 3.826 20 30 GHEDMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1cc(C#N)ccc1F)CC2 ZINC001139646893 1026508512 /nfs/dbraw/zinc/50/85/12/1026508512.db2.gz AHJQZIZKVSTJPE-UHFFFAOYSA-N 2 1 378.495 3.969 20 30 GHEDMP C=CCCCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001160421641 1034968452 /nfs/dbraw/zinc/96/84/52/1034968452.db2.gz COEXUPZQBKEFDP-XXTHSBEZSA-N 2 1 398.595 3.604 20 30 GHEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)[C@@H]2CC ZINC001208941986 1035112307 /nfs/dbraw/zinc/11/23/07/1035112307.db2.gz AYOJMEHMCAWXEY-OYRHQHFDSA-N 2 1 395.591 3.930 20 30 GHEDMP C=CCN1C(=O)CC[C@]12CCC[NH+](C[C@@H]1CC[N@H+](Cc3ccccc3)C1)[C@@H]2CC ZINC001208941986 1035112310 /nfs/dbraw/zinc/11/23/10/1035112310.db2.gz AYOJMEHMCAWXEY-OYRHQHFDSA-N 2 1 395.591 3.930 20 30 GHEDMP C=CCN1C(=O)CC[C@]12CCC[NH+](C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)[C@@H]2CC ZINC001208941986 1035112314 /nfs/dbraw/zinc/11/23/14/1035112314.db2.gz AYOJMEHMCAWXEY-OYRHQHFDSA-N 2 1 395.591 3.930 20 30 GHEDMP C=CCCCCC[NH+]1CCC2(C[C@H](COCC3CC3)[N@@H+](CCOC)C2)CC1 ZINC001209423889 1035272035 /nfs/dbraw/zinc/27/20/35/1035272035.db2.gz GCPIZIOFFYCQLU-JOCHJYFZSA-N 2 1 378.601 3.962 20 30 GHEDMP CCCCCCCC[C@@H](O)C[NH2+]CCCC[C@@H]([NH3+])C(=O)OCc1ccccc1 ZINC001246010615 1037132084 /nfs/dbraw/zinc/13/20/84/1037132084.db2.gz BVGCSNYRYDEKIM-FGZHOGPDSA-N 2 1 392.584 3.929 20 30 GHEDMP C=CCOC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H](C)CC(C)(C)SCc1ccco1 ZINC001246309509 1037288794 /nfs/dbraw/zinc/28/87/94/1037288794.db2.gz CKALFQRDTCFMIU-WMZOPIPTSA-N 2 1 382.570 3.886 20 30 GHEDMP C=CCOC(=O)N1CCC2(CCC[N@H+]([C@H]3CC[NH2+][C@@H](CCCC)C3)C2)CC1 ZINC001246526766 1037456901 /nfs/dbraw/zinc/45/69/01/1037456901.db2.gz QXGIMMPYRKNDEF-PMACEKPBSA-N 2 1 377.573 3.798 20 30 GHEDMP COC(=O)c1cccc(C[N@@H+]([C@H](C)Cc2cccc(C#N)c2)C2CC[NH2+]CC2)c1 ZINC001246958973 1037773606 /nfs/dbraw/zinc/77/36/06/1037773606.db2.gz QDFOWYZMBQVOGC-GOSISDBHSA-N 2 1 391.515 3.530 20 30 GHEDMP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(F)ccc1C#N)CC2 ZINC001232890843 1038679902 /nfs/dbraw/zinc/67/99/02/1038679902.db2.gz BFGKMNCMUVHPSK-QHCPKHFHSA-N 2 1 393.506 3.953 20 30 GHEDMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(F)ccc1C#N)CC2 ZINC001232890843 1038679912 /nfs/dbraw/zinc/67/99/12/1038679912.db2.gz BFGKMNCMUVHPSK-QHCPKHFHSA-N 2 1 393.506 3.953 20 30 GHEDMP CN(C)c1ccc(CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(F)c1C#N ZINC001233101920 1038880306 /nfs/dbraw/zinc/88/03/06/1038880306.db2.gz JTAMJXMPPOIQPO-IBGZPJMESA-N 2 1 380.511 3.717 20 30 GHEDMP N#CCc1ccccc1C[NH+]1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001235515990 1040971569 /nfs/dbraw/zinc/97/15/69/1040971569.db2.gz XPVSBTFWXQNVCT-UHFFFAOYSA-N 2 1 381.545 3.681 20 30 GHEDMP N#CCc1ccccc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001235515990 1040971570 /nfs/dbraw/zinc/97/15/70/1040971570.db2.gz XPVSBTFWXQNVCT-UHFFFAOYSA-N 2 1 381.545 3.681 20 30 GHEDMP C=CCN1CC[C@@]2(C[N@@H+]([C@@H](C)CC[NH+](CC)CC)C[C@@H]2c2ccccc2)C1=O ZINC001255958931 1041436378 /nfs/dbraw/zinc/43/63/78/1041436378.db2.gz HRPYOBSIKAFUEB-FJIJXJHWSA-N 2 1 383.580 3.611 20 30 GHEDMP COc1ccc(C[N@H+](Cc2c[nH]c3cc(C#N)ccc23)C2CC[NH2+]CC2)cc1F ZINC001236515022 1041749101 /nfs/dbraw/zinc/74/91/01/1041749101.db2.gz FXEBVSVXALKILI-UHFFFAOYSA-N 2 1 392.478 3.941 20 30 GHEDMP COc1ccc(C[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)C2CC[NH2+]CC2)cc1F ZINC001236515022 1041749109 /nfs/dbraw/zinc/74/91/09/1041749109.db2.gz FXEBVSVXALKILI-UHFFFAOYSA-N 2 1 392.478 3.941 20 30 GHEDMP C=CCN1C(=O)CCC12CC[NH+]([C@@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001256544896 1043502605 /nfs/dbraw/zinc/50/26/05/1043502605.db2.gz PTIGSFYSNZIJGR-RBBKRZOGSA-N 2 1 381.564 3.683 20 30 GHEDMP C=CCN1C(=O)CCC12CC[NH+]([C@@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001256544896 1043502620 /nfs/dbraw/zinc/50/26/20/1043502620.db2.gz PTIGSFYSNZIJGR-RBBKRZOGSA-N 2 1 381.564 3.683 20 30 GHEDMP C=CCOC[C@H]1CCC[C@@]12C[N@H+](C1CCN(Cc3ccccc3)CC1)CCO2 ZINC001256607702 1043572135 /nfs/dbraw/zinc/57/21/35/1043572135.db2.gz RSGNFCHPCMIRFD-ISKFKSNPSA-N 2 1 384.564 3.725 20 30 GHEDMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001332362586 1051506680 /nfs/dbraw/zinc/50/66/80/1051506680.db2.gz YTOHWHHAACYRCA-MOPGFXCFSA-N 2 1 392.588 3.627 20 30 GHEDMP N#Cc1cccc(OCC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC001459653250 1064155871 /nfs/dbraw/zinc/15/58/71/1064155871.db2.gz HKSVTBANHXEBLI-VWNXMTODSA-N 2 1 375.516 3.924 20 30 GHEDMP N#Cc1cccc(OCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC001459653250 1064155877 /nfs/dbraw/zinc/15/58/77/1064155877.db2.gz HKSVTBANHXEBLI-VWNXMTODSA-N 2 1 375.516 3.924 20 30 GHEDMP N#Cc1cccc(OCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC001459653250 1064155879 /nfs/dbraw/zinc/15/58/79/1064155879.db2.gz HKSVTBANHXEBLI-VWNXMTODSA-N 2 1 375.516 3.924 20 30 GHEDMP N#Cc1cccc(OCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC001459653250 1064155884 /nfs/dbraw/zinc/15/58/84/1064155884.db2.gz HKSVTBANHXEBLI-VWNXMTODSA-N 2 1 375.516 3.924 20 30 GHEDMP CCC[N@@H+](Cc1ccc(F)c(C#N)c1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000120917670 837440603 /nfs/dbraw/zinc/44/06/03/837440603.db2.gz YLWKPJMTSZWBFK-UHFFFAOYSA-N 2 1 381.499 3.985 20 30 GHEDMP CCC[N@H+](Cc1ccc(F)c(C#N)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000120917670 837440608 /nfs/dbraw/zinc/44/06/08/837440608.db2.gz YLWKPJMTSZWBFK-UHFFFAOYSA-N 2 1 381.499 3.985 20 30 GHEDMP CCC[N@@H+](Cc1ccc(F)c(C#N)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000120917670 837440614 /nfs/dbraw/zinc/44/06/14/837440614.db2.gz YLWKPJMTSZWBFK-UHFFFAOYSA-N 2 1 381.499 3.985 20 30 GHEDMP Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)c1C#N ZINC000121616588 843570818 /nfs/dbraw/zinc/57/08/18/843570818.db2.gz VXDYAFWDJJQXRZ-UHFFFAOYSA-N 2 1 399.583 3.694 20 30 GHEDMP C=CCOc1c(Br)cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1OC ZINC000092253666 843728708 /nfs/dbraw/zinc/72/87/08/843728708.db2.gz DKHUJEUJDJTOCI-HNNXBMFYSA-N 2 1 397.357 3.796 20 30 GHEDMP C=CCOc1c(Br)cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1OC ZINC000092253666 843728720 /nfs/dbraw/zinc/72/87/20/843728720.db2.gz DKHUJEUJDJTOCI-HNNXBMFYSA-N 2 1 397.357 3.796 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000092253666 843728732 /nfs/dbraw/zinc/72/87/32/843728732.db2.gz DKHUJEUJDJTOCI-HNNXBMFYSA-N 2 1 397.357 3.796 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000092253666 843728743 /nfs/dbraw/zinc/72/87/43/843728743.db2.gz DKHUJEUJDJTOCI-HNNXBMFYSA-N 2 1 397.357 3.796 20 30 GHEDMP Cc1nc(C[NH+]2CCC(CNC(=[NH2+])Nc3cccc4c3CCCC4)CC2)oc1C ZINC000262528871 845422506 /nfs/dbraw/zinc/42/25/06/845422506.db2.gz MGTOYQHFXMLPTQ-UHFFFAOYSA-N 2 1 395.551 3.809 20 30 GHEDMP C=C(C)C[NH+]1CCC(NC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000592313419 856775510 /nfs/dbraw/zinc/77/55/10/856775510.db2.gz JLNPICFPMQGLSW-FQEVSTJZSA-N 2 1 399.579 3.710 20 30 GHEDMP C[N@H+]1C[C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)[C@H](c2ccccc2)C1 ZINC000592376469 856790435 /nfs/dbraw/zinc/79/04/35/856790435.db2.gz REPYTAJWRMQJBI-VWNXMTODSA-N 2 1 399.542 3.899 20 30 GHEDMP CC(C)C[NH2+]C1(CO)CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000595510447 858549144 /nfs/dbraw/zinc/54/91/44/858549144.db2.gz BESKLOHJNQCVNF-UHFFFAOYSA-N 2 1 377.532 3.798 20 30 GHEDMP C[NH+]1CCN([C@@H](C[NH2+][C@H]2CCCc3cc(C#N)ccc32)c2cccs2)CC1 ZINC000611390350 859740326 /nfs/dbraw/zinc/74/03/26/859740326.db2.gz UOJHKHBQHCKDSW-SFTDATJTSA-N 2 1 380.561 3.575 20 30 GHEDMP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@@H+](C)C(C2CC2)C2CC2)c1=S ZINC000727166035 859980073 /nfs/dbraw/zinc/98/00/73/859980073.db2.gz QDGGHBBUOMWFDX-UHFFFAOYSA-N 2 1 389.613 3.706 20 30 GHEDMP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@H+](C)C(C2CC2)C2CC2)c1=S ZINC000727166035 859980077 /nfs/dbraw/zinc/98/00/77/859980077.db2.gz QDGGHBBUOMWFDX-UHFFFAOYSA-N 2 1 389.613 3.706 20 30 GHEDMP C=C(C)COc1cccc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)c1 ZINC000607057742 864017731 /nfs/dbraw/zinc/01/77/31/864017731.db2.gz KAXQQXZKTWNPOG-FQEVSTJZSA-N 2 1 388.556 3.521 20 30 GHEDMP C=CC[NH+]1CCC(NC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC1 ZINC000171716858 865342683 /nfs/dbraw/zinc/34/26/83/865342683.db2.gz PHIOSFJRUACEOG-UHFFFAOYSA-N 2 1 377.532 3.699 20 30 GHEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)cc1 ZINC000183152765 866255556 /nfs/dbraw/zinc/25/55/56/866255556.db2.gz MPQMCBGHMXUTEB-AWEZNQCLSA-N 2 1 393.878 3.995 20 30 GHEDMP C=C(C)C[NH+]1CCC(NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000531057124 879031264 /nfs/dbraw/zinc/03/12/64/879031264.db2.gz QMBYUZWRVPVRRL-UHFFFAOYSA-N 2 1 391.559 3.846 20 30 GHEDMP Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1C ZINC000859214115 883667294 /nfs/dbraw/zinc/66/72/94/883667294.db2.gz MBTIZRQZVYABMI-UHFFFAOYSA-N 2 1 392.547 3.744 20 30 GHEDMP Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1C ZINC000859214115 883667304 /nfs/dbraw/zinc/66/73/04/883667304.db2.gz MBTIZRQZVYABMI-UHFFFAOYSA-N 2 1 392.547 3.744 20 30 GHEDMP C[NH+](CCc1ccncc1)Cc1cc(C#N)cc(C[N@@H+](C)CCc2ccncc2)c1 ZINC000878335670 894202117 /nfs/dbraw/zinc/20/21/17/894202117.db2.gz RYYWASNXQRXLCV-UHFFFAOYSA-N 2 1 399.542 3.697 20 30 GHEDMP C=CCc1ccccc1OC[C@H](O)C[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000567689375 897340254 /nfs/dbraw/zinc/34/02/54/897340254.db2.gz JCPVCAPDUGGHDF-HYBUGGRVSA-N 2 1 394.559 3.970 20 30 GHEDMP C#Cc1ccc(CN2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)cc1 ZINC001144569702 902400995 /nfs/dbraw/zinc/40/09/95/902400995.db2.gz XLLSNNOQVRWHTH-RPBOFIJWSA-N 2 1 378.560 3.628 20 30 GHEDMP C#Cc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)cc1 ZINC001144569702 902401002 /nfs/dbraw/zinc/40/10/02/902401002.db2.gz XLLSNNOQVRWHTH-RPBOFIJWSA-N 2 1 378.560 3.628 20 30 GHEDMP C#Cc1ccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)cc1 ZINC001144569702 902401007 /nfs/dbraw/zinc/40/10/07/902401007.db2.gz XLLSNNOQVRWHTH-RPBOFIJWSA-N 2 1 378.560 3.628 20 30 GHEDMP C#Cc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)cc1 ZINC001144569702 902401014 /nfs/dbraw/zinc/40/10/14/902401014.db2.gz XLLSNNOQVRWHTH-RPBOFIJWSA-N 2 1 378.560 3.628 20 30 GHEDMP C#Cc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)cc1 ZINC001144569702 902401019 /nfs/dbraw/zinc/40/10/19/902401019.db2.gz XLLSNNOQVRWHTH-RPBOFIJWSA-N 2 1 378.560 3.628 20 30 GHEDMP C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001171213097 902707835 /nfs/dbraw/zinc/70/78/35/902707835.db2.gz UIQDHZPRVUQCJI-UGKGYDQZSA-N 2 1 393.531 3.838 20 30 GHEDMP C[NH+]=C(NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)NC[C@]1(C)CCCS1 ZINC000159237015 902754071 /nfs/dbraw/zinc/75/40/71/902754071.db2.gz WASCNDJWBMEWIJ-IEZWGBDMSA-N 2 1 380.627 3.582 20 30 GHEDMP COC(=O)[C@H]1CCC[C@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172781188 905821950 /nfs/dbraw/zinc/82/19/50/905821950.db2.gz MESLLVGBBMJCDW-CMOCDZPBSA-N 2 1 383.536 3.752 20 30 GHEDMP COC(=O)[C@@H]1CCC[C@@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172781190 905822130 /nfs/dbraw/zinc/82/21/30/905822130.db2.gz MESLLVGBBMJCDW-GXRSIYKFSA-N 2 1 383.536 3.752 20 30 GHEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000190622293 908510520 /nfs/dbraw/zinc/51/05/20/908510520.db2.gz LIMWBCZTZGNTNM-UZUQRXQVSA-N 2 1 399.498 3.504 20 30 GHEDMP C[C@@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)[N@H+](C)Cc1ccccc1 ZINC000304737989 915667057 /nfs/dbraw/zinc/66/70/57/915667057.db2.gz AOXNKOKOMNBGRY-AWEZNQCLSA-N 2 1 380.414 3.832 20 30 GHEDMP C[C@@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)[N@@H+](C)Cc1ccccc1 ZINC000304737989 915667069 /nfs/dbraw/zinc/66/70/69/915667069.db2.gz AOXNKOKOMNBGRY-AWEZNQCLSA-N 2 1 380.414 3.832 20 30 GHEDMP CCC[N@H+](CCOc1ccc(C#N)cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114197929 919385503 /nfs/dbraw/zinc/38/55/03/919385503.db2.gz OHSFJSUIZLXEIL-UHFFFAOYSA-N 2 1 393.535 3.725 20 30 GHEDMP CCC[N@@H+](CCOc1ccc(C#N)cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114197929 919385526 /nfs/dbraw/zinc/38/55/26/919385526.db2.gz OHSFJSUIZLXEIL-UHFFFAOYSA-N 2 1 393.535 3.725 20 30 GHEDMP C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH2+]C(C)(C)C[NH+]3CCCC3)sc2C1 ZINC000411878990 926880648 /nfs/dbraw/zinc/88/06/48/926880648.db2.gz ROAWPNHUSFBUPU-OAHLLOKOSA-N 2 1 388.581 3.537 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH+]2CCC(C[NH2+]CC)CC2)cc1OC ZINC000470024069 1016702489 /nfs/dbraw/zinc/70/24/89/1016702489.db2.gz ICSBHOMLNKAMOU-UHFFFAOYSA-N 2 1 397.357 3.844 20 30 GHEDMP C=CCOC(=O)N1CCC2(CCC[N@@H+](CCC[NH2+]C3CCCCC3)C2)CC1 ZINC001204843085 1033118515 /nfs/dbraw/zinc/11/85/15/1033118515.db2.gz KTFPSOZTPHFJTC-UHFFFAOYSA-N 2 1 377.573 3.799 20 30 GHEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1ccc(-n3cc[nH+]c3C)cc1)C2 ZINC001138544476 1024988547 /nfs/dbraw/zinc/98/85/47/1024988547.db2.gz JGTHGRQPTCKWBM-QHCPKHFHSA-N 2 1 378.520 3.714 20 30 GHEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@H+](Cc1ccc(-n3cc[nH+]c3C)cc1)C2 ZINC001138544476 1024988551 /nfs/dbraw/zinc/98/85/51/1024988551.db2.gz JGTHGRQPTCKWBM-QHCPKHFHSA-N 2 1 378.520 3.714 20 30 GHEDMP C[C@H]1C[NH2+]CCC[C@H]1CNc1[nH+]cc2c(c1C#N)N(Cc1ccccc1)CC2 ZINC001162461306 1025754713 /nfs/dbraw/zinc/75/47/13/1025754713.db2.gz OLJSXQWHVKKSNF-HKUYNNGSSA-N 2 1 375.520 3.564 20 30 GHEDMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(C#N)cc1)CC2 ZINC001203901401 1027694108 /nfs/dbraw/zinc/69/41/08/1027694108.db2.gz MTLRGNCGEOHBON-HSZRJFAPSA-N 2 1 375.516 3.814 20 30 GHEDMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(C#N)cc1)CC2 ZINC001203901404 1027694934 /nfs/dbraw/zinc/69/49/34/1027694934.db2.gz MTLRGNCGEOHBON-QHCPKHFHSA-N 2 1 375.516 3.814 20 30 GHEDMP N#Cc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)cc1 ZINC001203901982 1027694995 /nfs/dbraw/zinc/69/49/95/1027694995.db2.gz UWLGVCPPLIGWJZ-RPWUZVMVSA-N 2 1 379.548 3.519 20 30 GHEDMP N#Cc1ccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)cc1 ZINC001203901982 1027694999 /nfs/dbraw/zinc/69/49/99/1027694999.db2.gz UWLGVCPPLIGWJZ-RPWUZVMVSA-N 2 1 379.548 3.519 20 30 GHEDMP N#Cc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)cc1 ZINC001203901982 1027695007 /nfs/dbraw/zinc/69/50/07/1027695007.db2.gz UWLGVCPPLIGWJZ-RPWUZVMVSA-N 2 1 379.548 3.519 20 30 GHEDMP N#Cc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)cc1 ZINC001203901982 1027695008 /nfs/dbraw/zinc/69/50/08/1027695008.db2.gz UWLGVCPPLIGWJZ-RPWUZVMVSA-N 2 1 379.548 3.519 20 30 GHEDMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1ccc(F)c(C#N)c1)CC2 ZINC001205467223 1033425815 /nfs/dbraw/zinc/42/58/15/1033425815.db2.gz MIXNUYICBWKTML-UHFFFAOYSA-N 2 1 378.495 3.969 20 30 GHEDMP C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001207291531 1034243393 /nfs/dbraw/zinc/24/33/93/1034243393.db2.gz RLQJAMBGEMKWEC-DNQXCXABSA-N 2 1 384.564 3.725 20 30 GHEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)CC1 ZINC001208175362 1034774498 /nfs/dbraw/zinc/77/44/98/1034774498.db2.gz UWTOLQRVRFHLAY-LWSSLDFYSA-N 2 1 395.595 3.756 20 30 GHEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)CC1 ZINC001208175362 1034774509 /nfs/dbraw/zinc/77/45/09/1034774509.db2.gz UWTOLQRVRFHLAY-LWSSLDFYSA-N 2 1 395.595 3.756 20 30 GHEDMP C=C(C)[C@@H]1CC=C(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)CC1 ZINC001208175362 1034774519 /nfs/dbraw/zinc/77/45/19/1034774519.db2.gz UWTOLQRVRFHLAY-LWSSLDFYSA-N 2 1 395.595 3.756 20 30 GHEDMP C=C(C)[C@@H]1CC=C(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)CC1 ZINC001208175362 1034774529 /nfs/dbraw/zinc/77/45/29/1034774529.db2.gz UWTOLQRVRFHLAY-LWSSLDFYSA-N 2 1 395.595 3.756 20 30 GHEDMP N#Cc1cccc(CCC[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001208852013 1035058688 /nfs/dbraw/zinc/05/86/88/1035058688.db2.gz QQMMPVQBVJZQSV-UHFFFAOYSA-N 2 1 395.572 3.919 20 30 GHEDMP N#Cc1cccc(CCC[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001208852013 1035058694 /nfs/dbraw/zinc/05/86/94/1035058694.db2.gz QQMMPVQBVJZQSV-UHFFFAOYSA-N 2 1 395.572 3.919 20 30 GHEDMP C=CCOC[C@H]1CCC[C@@]12C[N@H+](C[C@@H]1CCC[NH+](Cc3ccccc3)C1)CCO2 ZINC001208937994 1035105496 /nfs/dbraw/zinc/10/54/96/1035105496.db2.gz YWHINDIHAOISOR-UBFVSLLYSA-N 2 1 398.591 3.972 20 30 GHEDMP C=CCOC[C@H]1CCC[C@@]12C[N@@H+](C[C@@H]1CCC[NH+](Cc3ccccc3)C1)CCO2 ZINC001208937994 1035105500 /nfs/dbraw/zinc/10/55/00/1035105500.db2.gz YWHINDIHAOISOR-UBFVSLLYSA-N 2 1 398.591 3.972 20 30 GHEDMP C=CCOC[C@H]1CCC[C@@]12C[NH+](C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)CCO2 ZINC001208937994 1035105505 /nfs/dbraw/zinc/10/55/05/1035105505.db2.gz YWHINDIHAOISOR-UBFVSLLYSA-N 2 1 398.591 3.972 20 30 GHEDMP C=CCOC[C@H]1CCC[C@@]12C[NH+](C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CCO2 ZINC001208937994 1035105512 /nfs/dbraw/zinc/10/55/12/1035105512.db2.gz YWHINDIHAOISOR-UBFVSLLYSA-N 2 1 398.591 3.972 20 30 GHEDMP C=CCCCCC[C@H]([NH3+])C(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001161575668 1035262272 /nfs/dbraw/zinc/26/22/72/1035262272.db2.gz MIIVPQSBWVFESI-ZRBLBEILSA-N 2 1 383.580 3.821 20 30 GHEDMP CCc1cc(C#N)ccc1C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001248749667 1036105961 /nfs/dbraw/zinc/10/59/61/1036105961.db2.gz HLKKYOYJXHTWEJ-QFIPXVFZSA-N 2 1 393.531 3.969 20 30 GHEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H](C)CCc1ccc(Br)cc1 ZINC001246304588 1037286058 /nfs/dbraw/zinc/28/60/58/1037286058.db2.gz FISYMRWZCGHLSL-YJBOKZPZSA-N 2 1 397.357 3.587 20 30 GHEDMP COC(=O)c1cccc(C[N@@H+]([C@@H](C)Cc2cccc(C#N)c2)C2CC[NH2+]CC2)c1 ZINC001246958980 1037774272 /nfs/dbraw/zinc/77/42/72/1037774272.db2.gz QDFOWYZMBQVOGC-SFHVURJKSA-N 2 1 391.515 3.530 20 30 GHEDMP Cc1cc(C#N)ccc1C[NH+]1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001233079302 1038844730 /nfs/dbraw/zinc/84/47/30/1038844730.db2.gz BDESVUYWEZQNAO-UHFFFAOYSA-N 2 1 381.545 3.795 20 30 GHEDMP Cc1cc(C#N)ccc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001233079302 1038844750 /nfs/dbraw/zinc/84/47/50/1038844750.db2.gz BDESVUYWEZQNAO-UHFFFAOYSA-N 2 1 381.545 3.795 20 30 GHEDMP C#Cc1ccc(NC(=O)CC[N@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)cc1 ZINC001307509904 1049350336 /nfs/dbraw/zinc/35/03/36/1049350336.db2.gz MUQFSOTYPZIYQB-HYBUGGRVSA-N 2 1 389.543 3.981 20 30 GHEDMP C#Cc1ccc(NC(=O)CC[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001307509904 1049350343 /nfs/dbraw/zinc/35/03/43/1049350343.db2.gz MUQFSOTYPZIYQB-HYBUGGRVSA-N 2 1 389.543 3.981 20 30 GHEDMP C#Cc1ccc(NC(=O)CC[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001307509904 1049350357 /nfs/dbraw/zinc/35/03/57/1049350357.db2.gz MUQFSOTYPZIYQB-HYBUGGRVSA-N 2 1 389.543 3.981 20 30 GHEDMP C#Cc1ccc(NC(=O)CC[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001307509904 1049350370 /nfs/dbraw/zinc/35/03/70/1049350370.db2.gz MUQFSOTYPZIYQB-HYBUGGRVSA-N 2 1 389.543 3.981 20 30 GHEDMP C#Cc1ccc(NC(=O)CC[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001307509904 1049350378 /nfs/dbraw/zinc/35/03/78/1049350378.db2.gz MUQFSOTYPZIYQB-HYBUGGRVSA-N 2 1 389.543 3.981 20 30 GHEDMP CCCC[N@H+](CC(=O)NCc1cccc(C#N)c1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001473682838 1074083746 /nfs/dbraw/zinc/08/37/46/1074083746.db2.gz FADNYOPPOHYSDK-UHFFFAOYSA-N 2 1 384.568 3.586 20 30 GHEDMP CCCC[N@@H+](CC(=O)NCc1cccc(C#N)c1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001473682838 1074083754 /nfs/dbraw/zinc/08/37/54/1074083754.db2.gz FADNYOPPOHYSDK-UHFFFAOYSA-N 2 1 384.568 3.586 20 30 GHEDMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC001474185717 1074286979 /nfs/dbraw/zinc/28/69/79/1074286979.db2.gz YMCNOLAHFQIYDY-ISKFKSNPSA-N 2 1 389.543 3.868 20 30 GHEDMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC001474185717 1074286985 /nfs/dbraw/zinc/28/69/85/1074286985.db2.gz YMCNOLAHFQIYDY-ISKFKSNPSA-N 2 1 389.543 3.868 20 30 GHEDMP CN(CC[N@@H+](C)Cc1ccc(-c2ccccc2C#N)cc1)C1CC[NH+](C)CC1 ZINC000430990075 843389091 /nfs/dbraw/zinc/38/90/91/843389091.db2.gz BAWVHGFZNUOJIM-UHFFFAOYSA-N 2 1 376.548 3.683 20 30 GHEDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000599660289 861491707 /nfs/dbraw/zinc/49/17/07/861491707.db2.gz MBQNEXGJCVOCBB-HXUWFJFHSA-N 2 1 392.547 3.905 20 30 GHEDMP C[N@H+](Cc1ccc(C#N)cc1OC(F)F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501069371 846601171 /nfs/dbraw/zinc/60/11/71/846601171.db2.gz OMVLIXKOUZCNCH-UHFFFAOYSA-N 2 1 386.446 3.903 20 30 GHEDMP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000542885201 856652006 /nfs/dbraw/zinc/65/20/06/856652006.db2.gz UWDQZUXJLJACBG-WZONZLPQSA-N 2 1 391.515 4.000 20 30 GHEDMP C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC[C@@H]1CCCC[NH+]1C ZINC000173642319 857048858 /nfs/dbraw/zinc/04/88/58/857048858.db2.gz BWMATNDWDCINOW-INIZCTEOSA-N 2 1 388.581 3.633 20 30 GHEDMP C[NH+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC[C@@H]1CCCC[N@@H+]1C ZINC000173642319 857048864 /nfs/dbraw/zinc/04/88/64/857048864.db2.gz BWMATNDWDCINOW-INIZCTEOSA-N 2 1 388.581 3.633 20 30 GHEDMP C[NH+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC[C@@H]1CCCC[N@H+]1C ZINC000173642319 857048870 /nfs/dbraw/zinc/04/88/70/857048870.db2.gz BWMATNDWDCINOW-INIZCTEOSA-N 2 1 388.581 3.633 20 30 GHEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000330345614 863029072 /nfs/dbraw/zinc/02/90/72/863029072.db2.gz FJRUIZYFCOOILD-UHFFFAOYSA-N 2 1 392.507 3.845 20 30 GHEDMP Cc1cc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)ccc1C#N ZINC000856558180 881424873 /nfs/dbraw/zinc/42/48/73/881424873.db2.gz CJDSIOVBIOPRAI-HSZRJFAPSA-N 2 1 378.520 3.755 20 30 GHEDMP Cc1cc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)ccc1C#N ZINC000856558180 881424875 /nfs/dbraw/zinc/42/48/75/881424875.db2.gz CJDSIOVBIOPRAI-HSZRJFAPSA-N 2 1 378.520 3.755 20 30 GHEDMP Cc1cc(C[N@@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)ccc1C#N ZINC000856558180 881424878 /nfs/dbraw/zinc/42/48/78/881424878.db2.gz CJDSIOVBIOPRAI-HSZRJFAPSA-N 2 1 378.520 3.755 20 30 GHEDMP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(C#N)c(F)c3)C2)ccn1 ZINC000856560661 881442508 /nfs/dbraw/zinc/44/25/08/881442508.db2.gz YNOAMAFKDZZFJJ-NRFANRHFSA-N 2 1 382.483 3.586 20 30 GHEDMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(C#N)c(F)c3)C2)ccn1 ZINC000856560661 881442512 /nfs/dbraw/zinc/44/25/12/881442512.db2.gz YNOAMAFKDZZFJJ-NRFANRHFSA-N 2 1 382.483 3.586 20 30 GHEDMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)ccn1 ZINC000856560661 881442515 /nfs/dbraw/zinc/44/25/15/881442515.db2.gz YNOAMAFKDZZFJJ-NRFANRHFSA-N 2 1 382.483 3.586 20 30 GHEDMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)ccn1 ZINC000856560661 881442517 /nfs/dbraw/zinc/44/25/17/881442517.db2.gz YNOAMAFKDZZFJJ-NRFANRHFSA-N 2 1 382.483 3.586 20 30 GHEDMP C#CCOc1ccc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCN(CC)CC2)cc1 ZINC000765013116 859728005 /nfs/dbraw/zinc/72/80/05/859728005.db2.gz YZKSSOJALXQKOO-NRFANRHFSA-N 2 1 391.559 3.687 20 30 GHEDMP C=CC[NH+]1CCC(NC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)CC1 ZINC000171721447 865343499 /nfs/dbraw/zinc/34/34/99/865343499.db2.gz WIGSUYXBPYGUFN-UHFFFAOYSA-N 2 1 398.595 3.901 20 30 GHEDMP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000619508439 872693981 /nfs/dbraw/zinc/69/39/81/872693981.db2.gz WJSIRSRDSSUURA-RPWUZVMVSA-N 2 1 375.516 3.552 20 30 GHEDMP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000619508439 872693988 /nfs/dbraw/zinc/69/39/88/872693988.db2.gz WJSIRSRDSSUURA-RPWUZVMVSA-N 2 1 375.516 3.552 20 30 GHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(Br)c(OC)c(OCC)c2)CC1 ZINC000106246421 875916062 /nfs/dbraw/zinc/91/60/62/875916062.db2.gz FTJOCZFLEONMTQ-UHFFFAOYSA-N 2 1 397.357 3.987 20 30 GHEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000615319895 877634674 /nfs/dbraw/zinc/63/46/74/877634674.db2.gz OJIABIIOONOAFL-HBMCJLEFSA-N 2 1 383.580 3.843 20 30 GHEDMP Cc1c(C#N)cccc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000179702306 877877518 /nfs/dbraw/zinc/87/75/18/877877518.db2.gz VIBPPVNOMTXBEG-VXKWHMMOSA-N 2 1 397.567 3.668 20 30 GHEDMP CC(C)[NH+]1CC(Nc2ncccc2C2(C#N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001168311885 885978274 /nfs/dbraw/zinc/97/82/74/885978274.db2.gz REMMQPLHGRQNFL-UHFFFAOYSA-N 2 1 389.547 3.643 20 30 GHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)CC1 ZINC000533089442 889754165 /nfs/dbraw/zinc/75/41/65/889754165.db2.gz KDGLMHQZUODLFT-VQTJNVASSA-N 2 1 395.547 3.614 20 30 GHEDMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000536695070 893560051 /nfs/dbraw/zinc/56/00/51/893560051.db2.gz KPOAWEUOLMLPBB-FQEVSTJZSA-N 2 1 377.536 3.627 20 30 GHEDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000536695070 893560072 /nfs/dbraw/zinc/56/00/72/893560072.db2.gz KPOAWEUOLMLPBB-FQEVSTJZSA-N 2 1 377.536 3.627 20 30 GHEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000536695070 893560092 /nfs/dbraw/zinc/56/00/92/893560092.db2.gz KPOAWEUOLMLPBB-FQEVSTJZSA-N 2 1 377.536 3.627 20 30 GHEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000536695070 893560115 /nfs/dbraw/zinc/56/01/15/893560115.db2.gz KPOAWEUOLMLPBB-FQEVSTJZSA-N 2 1 377.536 3.627 20 30 GHEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000564844565 895278307 /nfs/dbraw/zinc/27/83/07/895278307.db2.gz JEKYTMQSVNEGOP-RPBOFIJWSA-N 2 1 394.559 3.702 20 30 GHEDMP C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000571657758 899941347 /nfs/dbraw/zinc/94/13/47/899941347.db2.gz BYOOQNPFVNNSJU-KDURUIRLSA-N 2 1 391.629 3.563 20 30 GHEDMP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000157391483 900498912 /nfs/dbraw/zinc/49/89/12/900498912.db2.gz BNXWFFACUQWNPE-KRWDZBQOSA-N 2 1 376.545 3.579 20 30 GHEDMP C#CC[N@@H+](CCCc1c[nH+]cn1C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000846804879 903230074 /nfs/dbraw/zinc/23/00/74/903230074.db2.gz RCEQZHSKAURUEB-GOSISDBHSA-N 2 1 388.309 3.574 20 30 GHEDMP C#CC[N@H+](CCCc1c[nH+]cn1C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000846804879 903230085 /nfs/dbraw/zinc/23/00/85/903230085.db2.gz RCEQZHSKAURUEB-GOSISDBHSA-N 2 1 388.309 3.574 20 30 GHEDMP COc1ccc([C@H](CCC#N)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000578601461 904001037 /nfs/dbraw/zinc/00/10/37/904001037.db2.gz CRFPJCDNFJFCIB-SFTDATJTSA-N 2 1 398.576 3.680 20 30 GHEDMP CCCCCCCC[C@H](CC)[N@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001172505085 905602009 /nfs/dbraw/zinc/60/20/09/905602009.db2.gz JRYZRNUCTGXEMT-SFHVURJKSA-N 2 1 392.588 3.853 20 30 GHEDMP CC(C)(C)C[N@H+](C1CCN(C(=O)c2ccc(C#N)cc2)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173426474 906463550 /nfs/dbraw/zinc/46/35/50/906463550.db2.gz AJSXGDXDFWPNSK-MEMLXQNLSA-N 2 1 396.579 3.781 20 30 GHEDMP CCC(CC)[N@H+](C1CCN(C(=O)c2ccc(C#N)cc2)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173428085 906465067 /nfs/dbraw/zinc/46/50/67/906465067.db2.gz XLRDKTWRUMSAFR-AQYVVDRMSA-N 2 1 396.579 3.923 20 30 GHEDMP C[N@@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](C1CCC(C)(C#N)CC1)CC2 ZINC001173594971 906548551 /nfs/dbraw/zinc/54/85/51/906548551.db2.gz JDXJTGNDBWWORD-ORFBVSJDSA-N 2 1 382.552 3.609 20 30 GHEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000633637691 908410527 /nfs/dbraw/zinc/41/05/27/908410527.db2.gz YWLKWOFDSFATSI-QFIPXVFZSA-N 2 1 398.595 3.628 20 30 GHEDMP [NH2+]=C(NCCc1cccs1)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000303901131 915304602 /nfs/dbraw/zinc/30/46/02/915304602.db2.gz SMIYFZNGQOSICH-SFHVURJKSA-N 2 1 376.957 3.685 20 30 GHEDMP C[C@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC000305209770 916009687 /nfs/dbraw/zinc/00/96/87/916009687.db2.gz GWCNLRSGQUJIJM-CQSZACIVSA-N 2 1 380.414 3.832 20 30 GHEDMP C[C@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC000305209770 916009700 /nfs/dbraw/zinc/00/97/00/916009700.db2.gz GWCNLRSGQUJIJM-CQSZACIVSA-N 2 1 380.414 3.832 20 30 GHEDMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cn(C(=O)OC(C)(C)C)c4ccc(C#N)cc34)C[C@@H]2C1 ZINC001140439007 1021709765 /nfs/dbraw/zinc/70/97/65/1021709765.db2.gz UBBPUDOYFCJGLX-MSOLQXFVSA-N 2 1 394.519 3.680 20 30 GHEDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cn(C(=O)OC(C)(C)C)c4ccc(C#N)cc34)C[C@@H]2C1 ZINC001140439007 1021709786 /nfs/dbraw/zinc/70/97/86/1021709786.db2.gz UBBPUDOYFCJGLX-MSOLQXFVSA-N 2 1 394.519 3.680 20 30 GHEDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cn(C(=O)OC(C)(C)C)c4ccc(C#N)cc34)C[C@@H]2C1 ZINC001140439007 1021709804 /nfs/dbraw/zinc/70/98/04/1021709804.db2.gz UBBPUDOYFCJGLX-MSOLQXFVSA-N 2 1 394.519 3.680 20 30 GHEDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cn(C(=O)OC(C)(C)C)c4ccc(C#N)cc34)C[C@@H]2C1 ZINC001140439007 1021709820 /nfs/dbraw/zinc/70/98/20/1021709820.db2.gz UBBPUDOYFCJGLX-MSOLQXFVSA-N 2 1 394.519 3.680 20 30 GHEDMP C[NH+](C)CCOc1ccc(C[NH+]2CCC(C#N)(c3ccccc3F)CC2)cc1 ZINC001138773955 1025345888 /nfs/dbraw/zinc/34/58/88/1025345888.db2.gz UNTHQJYKBIFBSK-UHFFFAOYSA-N 2 1 381.495 3.823 20 30 GHEDMP C=CCOc1ccccc1C[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001139028499 1025797239 /nfs/dbraw/zinc/79/72/39/1025797239.db2.gz VYGWPFOXXQXXCB-UHFFFAOYSA-N 2 1 382.504 3.711 20 30 GHEDMP C=CCOc1ccccc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001139028499 1025797260 /nfs/dbraw/zinc/79/72/60/1025797260.db2.gz VYGWPFOXXQXXCB-UHFFFAOYSA-N 2 1 382.504 3.711 20 30 GHEDMP N#Cc1ccc(Cl)c(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)n1 ZINC001162942655 1025978946 /nfs/dbraw/zinc/97/89/46/1025978946.db2.gz XDNGGMCXWIZWBQ-GOSISDBHSA-N 2 1 395.938 3.520 20 30 GHEDMP C=CCn1cc(C[NH+]2CCC3(CC[N@H+](Cc4cccc(OC)c4)C3)CC2)cn1 ZINC001139771817 1026605392 /nfs/dbraw/zinc/60/53/92/1026605392.db2.gz QACHAIQIZMXBHD-UHFFFAOYSA-N 2 1 380.536 3.566 20 30 GHEDMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1ccc(C#N)cc1F)CC2 ZINC001140137047 1026910760 /nfs/dbraw/zinc/91/07/60/1026910760.db2.gz YDLBWNNQNFONRX-UHFFFAOYSA-N 2 1 378.495 3.969 20 30 GHEDMP CC(C)(C)OC(=O)c1ccc(C[NH+]2CCC(C[N@H+]3CC[C@@H](C#N)C3)CC2)cc1 ZINC001208819999 1035039422 /nfs/dbraw/zinc/03/94/22/1035039422.db2.gz KAJVDDXCYNPNEC-FQEVSTJZSA-N 2 1 383.536 3.699 20 30 GHEDMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](CCCc1cccc(C#N)c1)CC2 ZINC001208849261 1035056145 /nfs/dbraw/zinc/05/61/45/1035056145.db2.gz CLZNDLFCQKBFKM-JOCHJYFZSA-N 2 1 393.531 3.839 20 30 GHEDMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](CCc1ccc(C#N)cc1)CC2 ZINC001208922428 1035090291 /nfs/dbraw/zinc/09/02/91/1035090291.db2.gz GROHERMZXINHLO-DEOSSOPVSA-N 2 1 389.543 3.856 20 30 GHEDMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](CCc4ccc(C#N)cc4)CC3)C2)cc1 ZINC001208927064 1035092172 /nfs/dbraw/zinc/09/21/72/1035092172.db2.gz OGIYZJFSPDNULN-UHFFFAOYSA-N 2 1 389.543 3.776 20 30 GHEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208945930 1035117360 /nfs/dbraw/zinc/11/73/60/1035117360.db2.gz OEROBBIHDGGOPY-RBZQAINGSA-N 2 1 384.564 3.582 20 30 GHEDMP C=CCOC[C@]12CCCO[C@@H]1CC[NH+](C[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208945930 1035117363 /nfs/dbraw/zinc/11/73/63/1035117363.db2.gz OEROBBIHDGGOPY-RBZQAINGSA-N 2 1 384.564 3.582 20 30 GHEDMP C=CCOC[C@]12CCCO[C@@H]1CC[NH+](C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208945930 1035117368 /nfs/dbraw/zinc/11/73/68/1035117368.db2.gz OEROBBIHDGGOPY-RBZQAINGSA-N 2 1 384.564 3.582 20 30 GHEDMP COC(=O)c1ccc(C(=[NH2+])N[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC001246302993 1037285262 /nfs/dbraw/zinc/28/52/62/1037285262.db2.gz DDQGMWLOCGZPSP-FQEVSTJZSA-N 2 1 379.504 3.622 20 30 GHEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H](C)CCc1ccc(Br)cc1 ZINC001246304585 1037286203 /nfs/dbraw/zinc/28/62/03/1037286203.db2.gz FISYMRWZCGHLSL-QAPCUYQASA-N 2 1 397.357 3.587 20 30 GHEDMP C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@H]1CC[NH2+][C@@H](c3ccccc3)C1)CC2 ZINC001246527184 1037462089 /nfs/dbraw/zinc/46/20/89/1037462089.db2.gz SQEKXBAQRPWCSX-FCHUYYIVSA-N 2 1 397.563 3.980 20 30 GHEDMP C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)C2)CC1 ZINC001246527788 1037462172 /nfs/dbraw/zinc/46/21/72/1037462172.db2.gz WQEZOBIXJTXNKX-FGZHOGPDSA-N 2 1 397.563 3.980 20 30 GHEDMP C=CCOC(=O)N1CCC2(CCC[N@H+]([C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)C2)CC1 ZINC001246527788 1037462193 /nfs/dbraw/zinc/46/21/93/1037462193.db2.gz WQEZOBIXJTXNKX-FGZHOGPDSA-N 2 1 397.563 3.980 20 30 GHEDMP N#Cc1cccc(O[C@@H]2CCC[N@H+]([C@@H]3CC[NH2+][C@@H](Cc4ccccc4)C3)C2)c1 ZINC001246847906 1037674479 /nfs/dbraw/zinc/67/44/79/1037674479.db2.gz YVYYEMOTHMFNRV-WMTXJRDZSA-N 2 1 375.516 3.765 20 30 GHEDMP C=CCOC(=O)N1CCC(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255397251 1040983809 /nfs/dbraw/zinc/98/38/09/1040983809.db2.gz NVEGUPMMERVGOI-QFIPXVFZSA-N 2 1 385.552 3.665 20 30 GHEDMP C=CC[NH2+]CCN1CCC[N@@H+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC001235865444 1041399399 /nfs/dbraw/zinc/39/93/99/1041399399.db2.gz DRISOOXFJVKNQR-UHFFFAOYSA-N 2 1 393.575 3.576 20 30 GHEDMP N#Cc1ccnc(-c2ccc(C[N@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)cc2)c1 ZINC001236013120 1041506338 /nfs/dbraw/zinc/50/63/38/1041506338.db2.gz XMVZNWQNISMUSC-NOZRDPDXSA-N 2 1 380.495 3.593 20 30 GHEDMP Cn1cc(C[N@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)c2cc(C#N)ccc21 ZINC001237465226 1042218901 /nfs/dbraw/zinc/21/89/01/1042218901.db2.gz HSDCRSXBBAIPAG-HDICACEKSA-N 2 1 376.529 3.675 20 30 GHEDMP Cn1cc(C[N@@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)c2cc(C#N)ccc21 ZINC001237465226 1042218903 /nfs/dbraw/zinc/21/89/03/1042218903.db2.gz HSDCRSXBBAIPAG-HDICACEKSA-N 2 1 376.529 3.675 20 30 GHEDMP N#Cc1ccc2nc(C[N@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)CC[C@H]4C3)cn2c1 ZINC001237612304 1042281582 /nfs/dbraw/zinc/28/15/82/1042281582.db2.gz UYHVNGWDSBDWSR-YADHBBJMSA-N 2 1 385.515 3.550 20 30 GHEDMP N#Cc1ccc2nc(C[NH+]3CC[C@@H]4C[N@H+](Cc5ccccc5)CC[C@H]4C3)cn2c1 ZINC001237612304 1042281591 /nfs/dbraw/zinc/28/15/91/1042281591.db2.gz UYHVNGWDSBDWSR-YADHBBJMSA-N 2 1 385.515 3.550 20 30 GHEDMP N#Cc1ccc2nc(C[NH+]3CC[C@@H]4C[N@@H+](Cc5ccccc5)CC[C@H]4C3)cn2c1 ZINC001237612304 1042281600 /nfs/dbraw/zinc/28/16/00/1042281600.db2.gz UYHVNGWDSBDWSR-YADHBBJMSA-N 2 1 385.515 3.550 20 30 GHEDMP C=C1C[C@@H]2CC([N@H+]3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)C[C@H](C1)C2 ZINC001257890865 1044246299 /nfs/dbraw/zinc/24/62/99/1044246299.db2.gz BTEXPMJCFOBHGL-ARMVQHAZSA-N 2 1 385.596 3.528 20 30 GHEDMP Cc1ccc(CC#N)c(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)[nH+]1 ZINC001164795746 721501904 /nfs/dbraw/zinc/50/19/04/721501904.db2.gz LNEZNLOBENBJKK-UHFFFAOYSA-N 2 1 375.520 3.732 20 30 GHEDMP Cc1ccc(CC#N)c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)[nH+]1 ZINC001164795746 721501907 /nfs/dbraw/zinc/50/19/07/721501907.db2.gz LNEZNLOBENBJKK-UHFFFAOYSA-N 2 1 375.520 3.732 20 30 GHEDMP Cc1[nH+]c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)ccc1CC#N ZINC001165029674 721825953 /nfs/dbraw/zinc/82/59/53/721825953.db2.gz XLCVZDDERLGXRN-NNWRFLSQSA-N 2 1 375.520 3.588 20 30 GHEDMP Cc1[nH+]c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)ccc1CC#N ZINC001165029674 721825954 /nfs/dbraw/zinc/82/59/54/721825954.db2.gz XLCVZDDERLGXRN-NNWRFLSQSA-N 2 1 375.520 3.588 20 30 GHEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000278761560 834533248 /nfs/dbraw/zinc/53/32/48/834533248.db2.gz XHIICQCYSOBLOY-BGYRXZFFSA-N 2 1 394.567 3.706 20 30 GHEDMP N#Cc1ccsc1NC(=O)CCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000375750976 834600379 /nfs/dbraw/zinc/60/03/79/834600379.db2.gz POEARWYFILIPHR-JOCHJYFZSA-N 2 1 394.544 3.546 20 30 GHEDMP N#Cc1ccsc1NC(=O)CC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000375750976 834600383 /nfs/dbraw/zinc/60/03/83/834600383.db2.gz POEARWYFILIPHR-JOCHJYFZSA-N 2 1 394.544 3.546 20 30 GHEDMP N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000375750976 834600386 /nfs/dbraw/zinc/60/03/86/834600386.db2.gz POEARWYFILIPHR-JOCHJYFZSA-N 2 1 394.544 3.546 20 30 GHEDMP N#Cc1ccsc1NC(=O)CC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000375750976 834600392 /nfs/dbraw/zinc/60/03/92/834600392.db2.gz POEARWYFILIPHR-JOCHJYFZSA-N 2 1 394.544 3.546 20 30 GHEDMP N#Cc1ccc2ncc(C[NH2+][C@@H]3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)n2c1 ZINC000585767392 842279183 /nfs/dbraw/zinc/27/91/83/842279183.db2.gz XKGSBPFZPXMTDP-AKIFATBCSA-N 2 1 385.515 3.596 20 30 GHEDMP C=CCOc1ccc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1OC ZINC000512179000 842777560 /nfs/dbraw/zinc/77/75/60/842777560.db2.gz KNFSFVAAVVIGNS-KDURUIRLSA-N 2 1 388.552 3.581 20 30 GHEDMP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000478046308 846672886 /nfs/dbraw/zinc/67/28/86/846672886.db2.gz MIOKPGSHZCQDIG-RTBURBONSA-N 2 1 382.552 3.862 20 30 GHEDMP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000478046308 846672892 /nfs/dbraw/zinc/67/28/92/846672892.db2.gz MIOKPGSHZCQDIG-RTBURBONSA-N 2 1 382.552 3.862 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1OCC ZINC000414944587 852773039 /nfs/dbraw/zinc/77/30/39/852773039.db2.gz HBJLIQKSHSOLDH-UKRRQHHQSA-N 2 1 383.330 3.643 20 30 GHEDMP C#CCCOc1ccc(C[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000733324390 862866622 /nfs/dbraw/zinc/86/66/22/862866622.db2.gz VLPNDLQHPMAYKG-VWLOTQADSA-N 2 1 391.559 3.557 20 30 GHEDMP N#Cc1ccc(NC(=O)CC[NH+]2CCC([NH2+]Cc3ccccc3)CC2)cc1Cl ZINC000595511934 858548926 /nfs/dbraw/zinc/54/89/26/858548926.db2.gz VXLSXPALIZGWIJ-UHFFFAOYSA-N 2 1 396.922 3.794 20 30 GHEDMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(C(C)(C)C#N)cc3)C2)ccn1 ZINC000856547566 881359708 /nfs/dbraw/zinc/35/97/08/881359708.db2.gz AUFXMSOFSQQDJJ-HSZRJFAPSA-N 2 1 392.547 3.988 20 30 GHEDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc(C(C)(C)C#N)cc3)C2)ccn1 ZINC000856547566 881359728 /nfs/dbraw/zinc/35/97/28/881359728.db2.gz AUFXMSOFSQQDJJ-HSZRJFAPSA-N 2 1 392.547 3.988 20 30 GHEDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc(C(C)(C)C#N)cc3)C2)ccn1 ZINC000856547566 881359747 /nfs/dbraw/zinc/35/97/47/881359747.db2.gz AUFXMSOFSQQDJJ-HSZRJFAPSA-N 2 1 392.547 3.988 20 30 GHEDMP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(C#N)c(F)c3)C2)ccn1 ZINC000856560662 881444117 /nfs/dbraw/zinc/44/41/17/881444117.db2.gz YNOAMAFKDZZFJJ-OAQYLSRUSA-N 2 1 382.483 3.586 20 30 GHEDMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(C#N)c(F)c3)C2)ccn1 ZINC000856560662 881444258 /nfs/dbraw/zinc/44/42/58/881444258.db2.gz YNOAMAFKDZZFJJ-OAQYLSRUSA-N 2 1 382.483 3.586 20 30 GHEDMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)ccn1 ZINC000856560662 881444343 /nfs/dbraw/zinc/44/43/43/881444343.db2.gz YNOAMAFKDZZFJJ-OAQYLSRUSA-N 2 1 382.483 3.586 20 30 GHEDMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)ccn1 ZINC000856560662 881444444 /nfs/dbraw/zinc/44/44/44/881444444.db2.gz YNOAMAFKDZZFJJ-OAQYLSRUSA-N 2 1 382.483 3.586 20 30 GHEDMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611390571 859733968 /nfs/dbraw/zinc/73/39/68/859733968.db2.gz ITAWDANADOUCNG-RUZDIDTESA-N 2 1 388.559 3.863 20 30 GHEDMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccccc3C(C)(C)C#N)C2)ccn1 ZINC000856588682 881560798 /nfs/dbraw/zinc/56/07/98/881560798.db2.gz BHJHOVBMWATDNK-QFIPXVFZSA-N 2 1 392.547 3.988 20 30 GHEDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccccc3C(C)(C)C#N)C2)ccn1 ZINC000856588682 881560808 /nfs/dbraw/zinc/56/08/08/881560808.db2.gz BHJHOVBMWATDNK-QFIPXVFZSA-N 2 1 392.547 3.988 20 30 GHEDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccccc3C(C)(C)C#N)C2)ccn1 ZINC000856588682 881560818 /nfs/dbraw/zinc/56/08/18/881560818.db2.gz BHJHOVBMWATDNK-QFIPXVFZSA-N 2 1 392.547 3.988 20 30 GHEDMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(OC)c(C#N)c3)CC2)cs1 ZINC000174377929 865744671 /nfs/dbraw/zinc/74/46/71/865744671.db2.gz YZMJFDSEVZSZGH-UHFFFAOYSA-N 2 1 384.549 3.588 20 30 GHEDMP Cc1ccc([C@@H](CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)[NH+](C)C)cc1 ZINC000181623870 871291656 /nfs/dbraw/zinc/29/16/56/871291656.db2.gz NWFOCLSVEYYDSJ-XMMPIXPASA-N 2 1 376.548 3.724 20 30 GHEDMP C=CCC[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC001198407319 874395452 /nfs/dbraw/zinc/39/54/52/874395452.db2.gz UECLYYVPGSMTDU-HSZRJFAPSA-N 2 1 383.580 3.885 20 30 GHEDMP CC1(C)C[N@@H+](C[C@@H](O)CC2(C#N)CC2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000528560103 874705671 /nfs/dbraw/zinc/70/56/71/874705671.db2.gz HOEOWJINQUYORO-FCHUYYIVSA-N 2 1 381.564 3.664 20 30 GHEDMP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000532540797 885948161 /nfs/dbraw/zinc/94/81/61/885948161.db2.gz HFGCGPQXTWVCRF-NRFANRHFSA-N 2 1 398.595 3.991 20 30 GHEDMP C#Cc1ccc(C[N@@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)cc1 ZINC000809764138 887807026 /nfs/dbraw/zinc/80/70/26/887807026.db2.gz GJKMDRDHJZRIDO-UHFFFAOYSA-N 2 1 377.532 3.785 20 30 GHEDMP C#Cc1ccc(C[N@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)cc1 ZINC000809764138 887807039 /nfs/dbraw/zinc/80/70/39/887807039.db2.gz GJKMDRDHJZRIDO-UHFFFAOYSA-N 2 1 377.532 3.785 20 30 GHEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000818961693 896267426 /nfs/dbraw/zinc/26/74/26/896267426.db2.gz VHJHKIWKTHIEFE-YDIMBITNSA-N 2 1 377.532 3.859 20 30 GHEDMP CCCNc1ccc(C#N)cc1NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000567177850 896940415 /nfs/dbraw/zinc/94/04/15/896940415.db2.gz PSDFGGGZJDHUEM-UHFFFAOYSA-N 2 1 397.567 3.515 20 30 GHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CCCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000823790332 899262961 /nfs/dbraw/zinc/26/29/61/899262961.db2.gz YFAZJJOMDCWRAQ-LJQANCHMSA-N 2 1 397.563 3.862 20 30 GHEDMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@H](C)Cc3cccc(C#N)c3)CC[C@@H]21 ZINC001171213142 902708814 /nfs/dbraw/zinc/70/88/14/902708814.db2.gz VNSDWSCTBAUYQK-JFTIXFDTSA-N 2 1 391.563 3.559 20 30 GHEDMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@H](C)Cc3cccc(C#N)c3)CC[C@@H]21 ZINC001171213142 902708823 /nfs/dbraw/zinc/70/88/23/902708823.db2.gz VNSDWSCTBAUYQK-JFTIXFDTSA-N 2 1 391.563 3.559 20 30 GHEDMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+]([C@H](C)Cc3cccc(C#N)c3)CC[C@@H]21 ZINC001171213142 902708835 /nfs/dbraw/zinc/70/88/35/902708835.db2.gz VNSDWSCTBAUYQK-JFTIXFDTSA-N 2 1 391.563 3.559 20 30 GHEDMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+]([C@H](C)Cc3cccc(C#N)c3)CC[C@@H]21 ZINC001171213142 902708845 /nfs/dbraw/zinc/70/88/45/902708845.db2.gz VNSDWSCTBAUYQK-JFTIXFDTSA-N 2 1 391.563 3.559 20 30 GHEDMP COc1ccc([C@@H](CCC#N)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000578601460 904000554 /nfs/dbraw/zinc/00/05/54/904000554.db2.gz CRFPJCDNFJFCIB-RTWAWAEBSA-N 2 1 398.576 3.680 20 30 GHEDMP COC(=O)[C@@H]1CCC[C@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172781194 905822100 /nfs/dbraw/zinc/82/21/00/905822100.db2.gz MESLLVGBBMJCDW-YUMYIRISSA-N 2 1 383.536 3.752 20 30 GHEDMP C=CCOC1CCC([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)CC1 ZINC001173321989 906370699 /nfs/dbraw/zinc/37/06/99/906370699.db2.gz WRXKIQVNCWGNHX-HCGOJEOKSA-N 2 1 398.595 3.572 20 30 GHEDMP C=CCOC1CCC([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)CC1 ZINC001173321989 906370711 /nfs/dbraw/zinc/37/07/11/906370711.db2.gz WRXKIQVNCWGNHX-HCGOJEOKSA-N 2 1 398.595 3.572 20 30 GHEDMP C=CCOC1CCC([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)CC1 ZINC001173321989 906370715 /nfs/dbraw/zinc/37/07/15/906370715.db2.gz WRXKIQVNCWGNHX-HCGOJEOKSA-N 2 1 398.595 3.572 20 30 GHEDMP C=CCOC1CCC([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)CC1 ZINC001173321989 906370728 /nfs/dbraw/zinc/37/07/28/906370728.db2.gz WRXKIQVNCWGNHX-HCGOJEOKSA-N 2 1 398.595 3.572 20 30 GHEDMP CC[NH+](CC)[C@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000303782183 915125873 /nfs/dbraw/zinc/12/58/73/915125873.db2.gz MUWSXDNJTDWMRO-LJQANCHMSA-N 2 1 382.508 3.658 20 30 GHEDMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=[NH2+])N[C@H]3CCOc4ccccc43)cc2)C1 ZINC000304475941 915516484 /nfs/dbraw/zinc/51/64/84/915516484.db2.gz HJOKTTBONKKWAJ-AVRDEDQJSA-N 2 1 392.547 3.847 20 30 GHEDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)Nc1ccccc1C#N ZINC000411686591 926641668 /nfs/dbraw/zinc/64/16/68/926641668.db2.gz DIWHIHMTMNBNLD-JOCHJYFZSA-N 2 1 390.531 3.777 20 30 GHEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)Nc1ccccc1C#N ZINC000411686591 926641673 /nfs/dbraw/zinc/64/16/73/926641673.db2.gz DIWHIHMTMNBNLD-JOCHJYFZSA-N 2 1 390.531 3.777 20 30 GHEDMP C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000924591127 931434535 /nfs/dbraw/zinc/43/45/35/931434535.db2.gz GAEMLIFWTCYXDZ-KRWDZBQOSA-N 2 1 390.572 3.522 20 30 GHEDMP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@H+]2CC[C@H](C(C)(C)C)C2)c1=S ZINC000784032294 931761445 /nfs/dbraw/zinc/76/14/45/931761445.db2.gz NKGBABNZACERHR-SFHVURJKSA-N 2 1 391.629 3.954 20 30 GHEDMP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@@H+]2CC[C@H](C(C)(C)C)C2)c1=S ZINC000784032294 931761451 /nfs/dbraw/zinc/76/14/51/931761451.db2.gz NKGBABNZACERHR-SFHVURJKSA-N 2 1 391.629 3.954 20 30 GHEDMP N#Cc1nc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)ccc1Cl ZINC001155358016 1032517368 /nfs/dbraw/zinc/51/73/68/1032517368.db2.gz MGBSASYIGNGYPO-SFHVURJKSA-N 2 1 395.938 3.520 20 30 GHEDMP C[C@]12C[NH+](CCCC3(C#N)CCOCC3)C[C@]1(C)C[NH+](Cc1ccccc1)C2 ZINC000931225483 1017943565 /nfs/dbraw/zinc/94/35/65/1017943565.db2.gz ULOVMPKXZHRCSE-DHIUTWEWSA-N 2 1 381.564 3.931 20 30 GHEDMP N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)nc1 ZINC000562707133 1018557521 /nfs/dbraw/zinc/55/75/21/1018557521.db2.gz IIFDLONWLPGXQI-JOCHJYFZSA-N 2 1 376.504 3.592 20 30 GHEDMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932951748 1018781997 /nfs/dbraw/zinc/78/19/97/1018781997.db2.gz ZJWYOQTZQPAUOB-PHIMTYICSA-N 2 1 391.306 3.684 20 30 GHEDMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932951748 1018782009 /nfs/dbraw/zinc/78/20/09/1018782009.db2.gz ZJWYOQTZQPAUOB-PHIMTYICSA-N 2 1 391.306 3.684 20 30 GHEDMP Cc1[nH+]ccn1CCC[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932951751 1018782054 /nfs/dbraw/zinc/78/20/54/1018782054.db2.gz ZJWYOQTZQPAUOB-QWRGUYRKSA-N 2 1 391.306 3.684 20 30 GHEDMP COC[C@@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+](Cc1ccccc1C#N)CC2 ZINC001204367680 1032809234 /nfs/dbraw/zinc/80/92/34/1032809234.db2.gz OYJZLZAXDMPMCR-FQEVSTJZSA-N 2 1 396.560 3.518 20 30 GHEDMP C[NH+]1CCC2(C[NH+](Cc3cn(C(=O)OC(C)(C)C)c4ccc(C#N)cc34)C2)CC1 ZINC001140441223 1021716434 /nfs/dbraw/zinc/71/64/34/1021716434.db2.gz LTQHZSAXQBSQHV-UHFFFAOYSA-N 2 1 394.519 3.824 20 30 GHEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc(-c3ccccc3)nc2)CC1 ZINC001139521611 1026379467 /nfs/dbraw/zinc/37/94/67/1026379467.db2.gz HVDFQULLLLREFQ-UHFFFAOYSA-N 2 1 376.548 3.540 20 30 GHEDMP Cc1ccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)cc1C#N ZINC001139725001 1026568521 /nfs/dbraw/zinc/56/85/21/1026568521.db2.gz YROOCDWDJUTAJY-NRFANRHFSA-N 2 1 379.504 3.715 20 30 GHEDMP C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1ccccc1-n1cc[nH+]c1C)CCO2 ZINC001140026545 1026814612 /nfs/dbraw/zinc/81/46/12/1026814612.db2.gz ZSEHEUQGWSXLIY-FYYLOGMGSA-N 2 1 381.520 3.754 20 30 GHEDMP C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1ccccc1-n1cc[nH+]c1C)CCO2 ZINC001140026545 1026814617 /nfs/dbraw/zinc/81/46/17/1026814617.db2.gz ZSEHEUQGWSXLIY-FYYLOGMGSA-N 2 1 381.520 3.754 20 30 GHEDMP C#Cc1cccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4cccs4)CO3)CC2)c1 ZINC001231654806 1034810839 /nfs/dbraw/zinc/81/08/39/1034810839.db2.gz FEKJFPSAHZXYQY-OAQYLSRUSA-N 2 1 380.557 3.985 20 30 GHEDMP C=CCOC(=O)N1CC2(C1)CC[NH+](C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208934269 1035099455 /nfs/dbraw/zinc/09/94/55/1035099455.db2.gz XZACGACVJKUHQM-JOCHJYFZSA-N 2 1 397.563 3.619 20 30 GHEDMP C=CCOC[C@@H]1CCC[C@@]12C[N@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)CCO2 ZINC001208952410 1035125016 /nfs/dbraw/zinc/12/50/16/1035125016.db2.gz SBZILGPEOIFVRX-KMDXXIMOSA-N 2 1 384.564 3.582 20 30 GHEDMP C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)CCO2 ZINC001208952410 1035125022 /nfs/dbraw/zinc/12/50/22/1035125022.db2.gz SBZILGPEOIFVRX-KMDXXIMOSA-N 2 1 384.564 3.582 20 30 GHEDMP C=CCOC[C@@H]1CCC[C@@]12C[NH+](C[C@H]1CC[N@H+](Cc3ccccc3)C1)CCO2 ZINC001208952410 1035125028 /nfs/dbraw/zinc/12/50/28/1035125028.db2.gz SBZILGPEOIFVRX-KMDXXIMOSA-N 2 1 384.564 3.582 20 30 GHEDMP C=CCOC[C@@H]1CCC[C@@]12C[NH+](C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CCO2 ZINC001208952410 1035125033 /nfs/dbraw/zinc/12/50/33/1035125033.db2.gz SBZILGPEOIFVRX-KMDXXIMOSA-N 2 1 384.564 3.582 20 30 GHEDMP C=CCCC[NH+]1CCC2(C[C@H](CC(=O)N3CC[NH+](C)CC3)c3ccccc32)CC1 ZINC001209161930 1035196621 /nfs/dbraw/zinc/19/66/21/1035196621.db2.gz PDPOFIBXYCDDQJ-NRFANRHFSA-N 2 1 395.591 3.638 20 30 GHEDMP COC(=O)c1ccc(C(=[NH2+])N[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC001246302995 1037284539 /nfs/dbraw/zinc/28/45/39/1037284539.db2.gz DDQGMWLOCGZPSP-HXUWFJFHSA-N 2 1 379.504 3.622 20 30 GHEDMP C=CCOC(=O)N1CCC2(CCC[N@H+]([C@H]3CC[NH2+][C@@H](C(C)(C)C)C3)C2)CC1 ZINC001246523299 1037455233 /nfs/dbraw/zinc/45/52/33/1037455233.db2.gz AIMSSGXBOJWSCB-RBUKOAKNSA-N 2 1 377.573 3.654 20 30 GHEDMP C=CCN1CC[C@@]2(C[N@@H+]([C@@H]3CC[NH2+][C@H](CCCC)C3)C[C@@H]2c2ccccc2)C1=O ZINC001246704502 1037558217 /nfs/dbraw/zinc/55/82/17/1037558217.db2.gz WAASHXGGNDRSNS-WBJOIXBTSA-N 2 1 395.591 3.801 20 30 GHEDMP C[NH+]1CCC(C2CC[NH+](Cc3ccc(Br)c(C#N)c3)CC2)CC1 ZINC001232895583 1038687821 /nfs/dbraw/zinc/68/78/21/1038687821.db2.gz PTXWJVOOGPBKDI-UHFFFAOYSA-N 2 1 376.342 3.875 20 30 GHEDMP COc1cccc(C[NH+]2CCC3(CC[NH+](Cc4[nH]ccc4C#N)CC3)CC2)c1 ZINC001233044809 1038803319 /nfs/dbraw/zinc/80/33/19/1038803319.db2.gz VZCDOYQCTGUXGC-UHFFFAOYSA-N 2 1 378.520 3.773 20 30 GHEDMP C=CCCCCCC[C@H](O)C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001253237874 1039494561 /nfs/dbraw/zinc/49/45/61/1039494561.db2.gz NZPFMOTWZGDSQH-VJBWXMMDSA-N 2 1 378.601 3.554 20 30 GHEDMP C=CCCCCCC[C@H](O)C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COC)C1 ZINC001253237874 1039494568 /nfs/dbraw/zinc/49/45/68/1039494568.db2.gz NZPFMOTWZGDSQH-VJBWXMMDSA-N 2 1 378.601 3.554 20 30 GHEDMP C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COC)C1 ZINC001253237874 1039494570 /nfs/dbraw/zinc/49/45/70/1039494570.db2.gz NZPFMOTWZGDSQH-VJBWXMMDSA-N 2 1 378.601 3.554 20 30 GHEDMP CCOC(=O)[C@@H]1CCC[C@@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255351277 1040956520 /nfs/dbraw/zinc/95/65/20/1040956520.db2.gz WYPHSZHBCIIQIW-GXRSIYKFSA-N 2 1 383.536 3.752 20 30 GHEDMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001255959888 1041438626 /nfs/dbraw/zinc/43/86/26/1041438626.db2.gz BGWPAMATYGWBJV-ZJSXRUAMSA-N 2 1 398.595 3.597 20 30 GHEDMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+]1CCC(Oc2ccc(C#N)c(Cl)c2)CC1 ZINC001235968563 1041472710 /nfs/dbraw/zinc/47/27/10/1041472710.db2.gz IRJSSSWUYNNORM-DYVFJYSZSA-N 2 1 383.870 3.546 20 30 GHEDMP N#CC(c1ccccc1)(c1ccccc1)[C@@H]1CC[N@H+](CC2(F)CC[NH2+]CC2)C1 ZINC001236157484 1041581748 /nfs/dbraw/zinc/58/17/48/1041581748.db2.gz IIEZGLGALYATNH-JOCHJYFZSA-N 2 1 377.507 3.910 20 30 GHEDMP COC(=O)c1cccc(C[N@@H+](CCCc2ccc(C#N)cc2)C2CC[NH2+]CC2)c1 ZINC001236465983 1041728677 /nfs/dbraw/zinc/72/86/77/1041728677.db2.gz WDXRUSXDYNAGTP-UHFFFAOYSA-N 2 1 391.515 3.532 20 30 GHEDMP C#CCOc1ccc(C[N@H+](Cc2ccc(F)cc2C)C2CC[NH2+]CC2)cc1OC ZINC001236520834 1041751435 /nfs/dbraw/zinc/75/14/35/1041751435.db2.gz BPWOTKJQXNLZLI-UHFFFAOYSA-N 2 1 396.506 3.909 20 30 GHEDMP C#CCOc1ccc(C[N@@H+](Cc2ccc(F)cc2C)C2CC[NH2+]CC2)cc1OC ZINC001236520834 1041751443 /nfs/dbraw/zinc/75/14/43/1041751443.db2.gz BPWOTKJQXNLZLI-UHFFFAOYSA-N 2 1 396.506 3.909 20 30 GHEDMP N#Cc1cccc([C@H](O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC001307522779 1049368657 /nfs/dbraw/zinc/36/86/57/1049368657.db2.gz CIHNQGCPUDSYDS-WXFUMESZSA-N 2 1 375.516 3.578 20 30 GHEDMP N#Cc1cccc([C@H](O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC001307522779 1049368667 /nfs/dbraw/zinc/36/86/67/1049368667.db2.gz CIHNQGCPUDSYDS-WXFUMESZSA-N 2 1 375.516 3.578 20 30 GHEDMP N#Cc1cccc([C@H](O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC001307522779 1049368681 /nfs/dbraw/zinc/36/86/81/1049368681.db2.gz CIHNQGCPUDSYDS-WXFUMESZSA-N 2 1 375.516 3.578 20 30 GHEDMP N#Cc1cccc([C@H](O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC001307522779 1049368692 /nfs/dbraw/zinc/36/86/92/1049368692.db2.gz CIHNQGCPUDSYDS-WXFUMESZSA-N 2 1 375.516 3.578 20 30 GHEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)COc1ccc2cc(Br)ccc2c1 ZINC001308793099 1050096412 /nfs/dbraw/zinc/09/64/12/1050096412.db2.gz OAWZGFRLJHVWSJ-INIZCTEOSA-N 2 1 389.337 3.914 20 30 GHEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)COc1ccc2cc(Br)ccc2c1 ZINC001308793099 1050096417 /nfs/dbraw/zinc/09/64/17/1050096417.db2.gz OAWZGFRLJHVWSJ-INIZCTEOSA-N 2 1 389.337 3.914 20 30 GHEDMP Cc1[nH+]c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)ccc1CC#N ZINC001165029669 721826013 /nfs/dbraw/zinc/82/60/13/721826013.db2.gz XLCVZDDERLGXRN-ILWGZMRPSA-N 2 1 375.520 3.588 20 30 GHEDMP Cc1[nH+]c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)ccc1CC#N ZINC001165029669 721826015 /nfs/dbraw/zinc/82/60/15/721826015.db2.gz XLCVZDDERLGXRN-ILWGZMRPSA-N 2 1 375.520 3.588 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc1OC ZINC000062427217 843108640 /nfs/dbraw/zinc/10/86/40/843108640.db2.gz SNSNMRFSFRPXTM-OAHLLOKOSA-N 2 1 397.357 3.842 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1OC ZINC000062427217 843108644 /nfs/dbraw/zinc/10/86/44/843108644.db2.gz SNSNMRFSFRPXTM-OAHLLOKOSA-N 2 1 397.357 3.842 20 30 GHEDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)C(=O)NC1(C#N)CCCCC1 ZINC000604044419 861703708 /nfs/dbraw/zinc/70/37/08/861703708.db2.gz MSTYDIRKHLFWKB-VQTJNVASSA-N 2 1 396.579 3.739 20 30 GHEDMP C=CCOc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1Cl ZINC000657593908 848285409 /nfs/dbraw/zinc/28/54/09/848285409.db2.gz CIYATYVCABOCKA-FQEVSTJZSA-N 2 1 386.923 3.761 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1OC ZINC000414979525 853250053 /nfs/dbraw/zinc/25/00/53/853250053.db2.gz VJGPWHKLFWPGLV-MRXNPFEDSA-N 2 1 383.330 3.500 20 30 GHEDMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC[NH+]1C ZINC000328886448 854597255 /nfs/dbraw/zinc/59/72/55/854597255.db2.gz OWPNAVCTGNRHDE-BZIXAJQCSA-N 2 1 392.588 3.671 20 30 GHEDMP N#Cc1csc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000590192631 855315925 /nfs/dbraw/zinc/31/59/25/855315925.db2.gz HYDOTXFYMVCIPL-HXUWFJFHSA-N 2 1 381.545 3.638 20 30 GHEDMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCc4ccc(C#N)cc43)cc2)C[C@H](C)O1 ZINC000573292281 856015065 /nfs/dbraw/zinc/01/50/65/856015065.db2.gz XHGGZVQSAJIVRM-NXMSCROESA-N 2 1 375.516 3.945 20 30 GHEDMP C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000159050965 858834920 /nfs/dbraw/zinc/83/49/20/858834920.db2.gz DUAXAYIKMFZVSL-OALUTQOASA-N 2 1 382.552 3.862 20 30 GHEDMP C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000159050965 858834926 /nfs/dbraw/zinc/83/49/26/858834926.db2.gz DUAXAYIKMFZVSL-OALUTQOASA-N 2 1 382.552 3.862 20 30 GHEDMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(C(C)(C)C#N)cc3)C2)ccn1 ZINC000856547567 881360465 /nfs/dbraw/zinc/36/04/65/881360465.db2.gz AUFXMSOFSQQDJJ-QHCPKHFHSA-N 2 1 392.547 3.988 20 30 GHEDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc(C(C)(C)C#N)cc3)C2)ccn1 ZINC000856547567 881360483 /nfs/dbraw/zinc/36/04/83/881360483.db2.gz AUFXMSOFSQQDJJ-QHCPKHFHSA-N 2 1 392.547 3.988 20 30 GHEDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc(C(C)(C)C#N)cc3)C2)ccn1 ZINC000856547567 881360503 /nfs/dbraw/zinc/36/05/03/881360503.db2.gz AUFXMSOFSQQDJJ-QHCPKHFHSA-N 2 1 392.547 3.988 20 30 GHEDMP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(C#N)ccc3F)C2)ccn1 ZINC000856598614 881572374 /nfs/dbraw/zinc/57/23/74/881572374.db2.gz VXTYZQTYXHTSBX-NRFANRHFSA-N 2 1 382.483 3.586 20 30 GHEDMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(C#N)ccc3F)C2)ccn1 ZINC000856598614 881572396 /nfs/dbraw/zinc/57/23/96/881572396.db2.gz VXTYZQTYXHTSBX-NRFANRHFSA-N 2 1 382.483 3.586 20 30 GHEDMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)ccn1 ZINC000856598614 881572409 /nfs/dbraw/zinc/57/24/09/881572409.db2.gz VXTYZQTYXHTSBX-NRFANRHFSA-N 2 1 382.483 3.586 20 30 GHEDMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)ccn1 ZINC000856598614 881572415 /nfs/dbraw/zinc/57/24/15/881572415.db2.gz VXTYZQTYXHTSBX-NRFANRHFSA-N 2 1 382.483 3.586 20 30 GHEDMP COc1cc(C#N)ccc1OCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000554842493 865000244 /nfs/dbraw/zinc/00/02/44/865000244.db2.gz XGLFVSYJAOZXLT-HSZRJFAPSA-N 2 1 393.531 3.836 20 30 GHEDMP COc1cc(C#N)ccc1OCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000554842493 865000255 /nfs/dbraw/zinc/00/02/55/865000255.db2.gz XGLFVSYJAOZXLT-HSZRJFAPSA-N 2 1 393.531 3.836 20 30 GHEDMP [NH2+]=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)Nc1cccc2c1CCCC2 ZINC000304667795 866505032 /nfs/dbraw/zinc/50/50/32/866505032.db2.gz LGWWRYCCYZWFPP-FQEVSTJZSA-N 2 1 376.548 3.857 20 30 GHEDMP CCc1ccc([C@@H](CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)[NH+](C)C)cc1 ZINC000181388313 870959075 /nfs/dbraw/zinc/95/90/75/870959075.db2.gz BAEKXIZSZUDYND-RUZDIDTESA-N 2 1 390.575 3.978 20 30 GHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(Br)c(OCC)c(OC)c2)CC1 ZINC000106245586 875915749 /nfs/dbraw/zinc/91/57/49/875915749.db2.gz UJRCFGJBNAKFJL-UHFFFAOYSA-N 2 1 397.357 3.987 20 30 GHEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1nc(C(C)(C)C)ccc1C#N ZINC000613426422 883068408 /nfs/dbraw/zinc/06/84/08/883068408.db2.gz BNERHDYULBQIBP-UHFFFAOYSA-N 2 1 397.611 3.883 20 30 GHEDMP C=C(C[NH+]1CCCC1)C(=O)Nc1cccc2c1C[N@@H+](C)C[C@H]2c1ccccc1 ZINC001183076220 912235542 /nfs/dbraw/zinc/23/55/42/912235542.db2.gz SUXUXJGMMDNLOM-NRFANRHFSA-N 2 1 375.516 3.854 20 30 GHEDMP N#Cc1cccc(OCCC[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001170206189 881207594 /nfs/dbraw/zinc/20/75/94/881207594.db2.gz SFFJKWONUIFVJW-XMMPIXPASA-N 2 1 375.516 3.925 20 30 GHEDMP N#Cc1cccc(OCCC[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC001170206189 881207614 /nfs/dbraw/zinc/20/76/14/881207614.db2.gz SFFJKWONUIFVJW-XMMPIXPASA-N 2 1 375.516 3.925 20 30 GHEDMP N#Cc1cccc(OCCC[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC001170206189 881207629 /nfs/dbraw/zinc/20/76/29/881207629.db2.gz SFFJKWONUIFVJW-XMMPIXPASA-N 2 1 375.516 3.925 20 30 GHEDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000103143191 884783073 /nfs/dbraw/zinc/78/30/73/884783073.db2.gz AFFCUJNNKFYIOD-UHFFFAOYSA-N 2 1 390.531 3.731 20 30 GHEDMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(O[C@H](C)C#N)cc3)CC2)oc1C ZINC000111412223 886229046 /nfs/dbraw/zinc/22/90/46/886229046.db2.gz XNWOEADHSPGIMO-MRXNPFEDSA-N 2 1 382.508 3.584 20 30 GHEDMP COC(=O)C1(C#N)CC[NH+](C[C@@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000877566089 893693104 /nfs/dbraw/zinc/69/31/04/893693104.db2.gz DDCZFWNDARTRDG-DEOSSOPVSA-N 2 1 397.563 3.704 20 30 GHEDMP COC(=O)C1(C#N)CC[NH+](C[C@@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000877566089 893693114 /nfs/dbraw/zinc/69/31/14/893693114.db2.gz DDCZFWNDARTRDG-DEOSSOPVSA-N 2 1 397.563 3.704 20 30 GHEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(C4CC4)c(C#N)c3)CC2)CC1 ZINC000882310826 896752487 /nfs/dbraw/zinc/75/24/87/896752487.db2.gz VCYCTIYEVBCEQN-UHFFFAOYSA-N 2 1 380.536 3.570 20 30 GHEDMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000131131447 897334581 /nfs/dbraw/zinc/33/45/81/897334581.db2.gz DIBFLXVRRVKANU-UHFFFAOYSA-N 2 1 388.519 3.666 20 30 GHEDMP C[N@@H+](Cc1ccccc1NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)C1CCCCC1 ZINC000884176918 899201506 /nfs/dbraw/zinc/20/15/06/899201506.db2.gz VCKIHNDQQYQIOZ-KPRXVCGWSA-N 2 1 380.536 3.529 20 30 GHEDMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000600726359 902848627 /nfs/dbraw/zinc/84/86/27/902848627.db2.gz SOIBRNPMPFDTHP-NEWSRXKRSA-N 2 1 395.469 3.733 20 30 GHEDMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000600726359 902848635 /nfs/dbraw/zinc/84/86/35/902848635.db2.gz SOIBRNPMPFDTHP-NEWSRXKRSA-N 2 1 395.469 3.733 20 30 GHEDMP N#Cc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)o1 ZINC000174266787 905238353 /nfs/dbraw/zinc/23/83/53/905238353.db2.gz ONVHYWHTHXUZRX-UHFFFAOYSA-N 2 1 386.499 3.763 20 30 GHEDMP C=CCOC(=O)N[C@@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172090932 905312168 /nfs/dbraw/zinc/31/21/68/905312168.db2.gz XXBGVNJVZAFPAC-LUKWVAJMSA-N 2 1 397.563 3.949 20 30 GHEDMP C=CCOC(=O)N[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172090932 905312187 /nfs/dbraw/zinc/31/21/87/905312187.db2.gz XXBGVNJVZAFPAC-LUKWVAJMSA-N 2 1 397.563 3.949 20 30 GHEDMP C=CCOC(=O)N[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172090932 905312207 /nfs/dbraw/zinc/31/22/07/905312207.db2.gz XXBGVNJVZAFPAC-LUKWVAJMSA-N 2 1 397.563 3.949 20 30 GHEDMP C=CCOC(=O)N[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172090932 905312234 /nfs/dbraw/zinc/31/22/34/905312234.db2.gz XXBGVNJVZAFPAC-LUKWVAJMSA-N 2 1 397.563 3.949 20 30 GHEDMP CC(C)(C)C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172973923 906038797 /nfs/dbraw/zinc/03/87/97/906038797.db2.gz JFPZRQOTXKDULJ-VJANTYMQSA-N 2 1 392.588 3.896 20 30 GHEDMP C[N@H+](CCC(=O)Nc1ccccc1C#N)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179396599 906491853 /nfs/dbraw/zinc/49/18/53/906491853.db2.gz SIRLXLQEXLWMPK-UHFFFAOYSA-N 2 1 391.519 3.520 20 30 GHEDMP Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1C ZINC000185723398 907823561 /nfs/dbraw/zinc/82/35/61/907823561.db2.gz CKODEGHSKFAKON-NHCUHLMSSA-N 2 1 396.579 3.793 20 30 GHEDMP Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1C ZINC000185723398 907823566 /nfs/dbraw/zinc/82/35/66/907823566.db2.gz CKODEGHSKFAKON-NHCUHLMSSA-N 2 1 396.579 3.793 20 30 GHEDMP COc1cccc(NC(=[NH2+])NCc2ccccc2C[N@H+](C)Cc2ccco2)c1 ZINC000304814258 915722273 /nfs/dbraw/zinc/72/22/73/915722273.db2.gz ZNVCMMRGCOAPST-UHFFFAOYSA-N 2 1 378.476 3.847 20 30 GHEDMP COc1cccc(NC(=[NH2+])NCc2ccccc2C[N@@H+](C)Cc2ccco2)c1 ZINC000304814258 915722285 /nfs/dbraw/zinc/72/22/85/915722285.db2.gz ZNVCMMRGCOAPST-UHFFFAOYSA-N 2 1 378.476 3.847 20 30 GHEDMP C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C#N)(c3ccc(Br)cc3)CC2)C1 ZINC001208613653 1014186134 /nfs/dbraw/zinc/18/61/34/1014186134.db2.gz XKBGYIIDGTVVHL-MRXNPFEDSA-N 2 1 376.342 3.648 20 30 GHEDMP C[N@H+]1CCC[C@@H](C[NH+]2CCC(C#N)(c3ccc(Br)cc3)CC2)C1 ZINC001208613653 1014186147 /nfs/dbraw/zinc/18/61/47/1014186147.db2.gz XKBGYIIDGTVVHL-MRXNPFEDSA-N 2 1 376.342 3.648 20 30 GHEDMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCC[C@H](Oc3ccccc3C#N)C2)cc1 ZINC001204270333 1032712671 /nfs/dbraw/zinc/71/26/71/1032712671.db2.gz SRCNNBBSXOGNOS-QHCPKHFHSA-N 2 1 393.531 3.932 20 30 GHEDMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CCN(Cc1ccc(F)cc1C#N)CC2 ZINC001141163770 1023990029 /nfs/dbraw/zinc/99/00/29/1023990029.db2.gz RWBZDXMRJAGORC-HXUWFJFHSA-N 2 1 383.467 3.546 20 30 GHEDMP CN(Cc1ccco1)[C@H]1COC2(C1)CCN(Cc1ccc(F)cc1C#N)CC2 ZINC001141163770 1023990033 /nfs/dbraw/zinc/99/00/33/1023990033.db2.gz RWBZDXMRJAGORC-HXUWFJFHSA-N 2 1 383.467 3.546 20 30 GHEDMP N#Cc1ccc(Cl)c(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)n1 ZINC001162942656 1025979052 /nfs/dbraw/zinc/97/90/52/1025979052.db2.gz XDNGGMCXWIZWBQ-SFHVURJKSA-N 2 1 395.938 3.520 20 30 GHEDMP Cc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)cc1C#N ZINC001139723863 1026567363 /nfs/dbraw/zinc/56/73/63/1026567363.db2.gz IBYVKOXMQVVVFD-UHFFFAOYSA-N 2 1 375.516 3.734 20 30 GHEDMP N#Cc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)c(F)c1 ZINC001140137939 1026911972 /nfs/dbraw/zinc/91/19/72/1026911972.db2.gz ANEALOMOVCAXMI-UHFFFAOYSA-N 2 1 379.479 3.564 20 30 GHEDMP N#Cc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c(F)c1 ZINC001140137939 1026911982 /nfs/dbraw/zinc/91/19/82/1026911982.db2.gz ANEALOMOVCAXMI-UHFFFAOYSA-N 2 1 379.479 3.564 20 30 GHEDMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000840873936 1027911096 /nfs/dbraw/zinc/91/10/96/1027911096.db2.gz DYECQNTYJDGBFG-BPUDTRNYSA-N 2 1 393.531 3.777 20 30 GHEDMP N#Cc1ccc(C[N@@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c(O)c1 ZINC001222590787 1030215138 /nfs/dbraw/zinc/21/51/38/1030215138.db2.gz NGLUZJNJCLSEKI-JOCHJYFZSA-N 2 1 391.515 3.567 20 30 GHEDMP N#Cc1ccc(C[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c(O)c1 ZINC001222590787 1030215158 /nfs/dbraw/zinc/21/51/58/1030215158.db2.gz NGLUZJNJCLSEKI-JOCHJYFZSA-N 2 1 391.515 3.567 20 30 GHEDMP C=CCN1C(=O)CCC12CC[NH+](C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208933688 1035099349 /nfs/dbraw/zinc/09/93/49/1035099349.db2.gz FMGDJLDOCWTEPW-JOCHJYFZSA-N 2 1 381.564 3.542 20 30 GHEDMP N#Cc1ccnc(C[NH+]2CCC(OC3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC001232481982 1038261702 /nfs/dbraw/zinc/26/17/02/1038261702.db2.gz NXLZHFPMGXYOOM-UHFFFAOYSA-N 2 1 390.531 3.599 20 30 GHEDMP CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001235008262 1040498252 /nfs/dbraw/zinc/49/82/52/1040498252.db2.gz PRSDPTTUBGAMDX-XMMPIXPASA-N 2 1 390.531 3.528 20 30 GHEDMP CN(c1ccc(C#N)cc1)c1ccc(C[N@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001235008262 1040498257 /nfs/dbraw/zinc/49/82/57/1040498257.db2.gz PRSDPTTUBGAMDX-XMMPIXPASA-N 2 1 390.531 3.528 20 30 GHEDMP C=CCn1c(=O)ccc2c1CC[C@H]([NH2+][C@@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255382581 1040972973 /nfs/dbraw/zinc/97/29/73/1040972973.db2.gz DHLMFBHSWRABGZ-PKTZIBPZSA-N 2 1 391.559 3.536 20 30 GHEDMP C=CCN1CC[C@@]2(C[N@@H+](C3CC[NH+](C(C)(C)C)CC3)C[C@@H]2c2ccccc2)C1=O ZINC001256574535 1043548002 /nfs/dbraw/zinc/54/80/02/1043548002.db2.gz XQSYTMQBCPUCGL-RDGATRHJSA-N 2 1 395.591 3.753 20 30 GHEDMP N#Cc1ccccc1CN1CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256601409 1043566142 /nfs/dbraw/zinc/56/61/42/1043566142.db2.gz XFTUIMCQHAZQMV-UHFFFAOYSA-N 2 1 388.559 3.777 20 30 GHEDMP C=C1C[C@@H]2CC([N@@H+]3CC[C@H]4[C@H](C[C@@H](Cn5cncn5)[NH+]4CC4CC4)C3)C[C@H](C1)C2 ZINC001257892504 1044248047 /nfs/dbraw/zinc/24/80/47/1044248047.db2.gz ZUEWJFMLCCCBCU-AAOJFNKRSA-N 2 1 395.595 3.588 20 30 GHEDMP C=C1C[C@@H]2CC([N@H+]3CC[C@H]4[C@H](C[C@@H](Cn5cncn5)[NH+]4CC4CC4)C3)C[C@H](C1)C2 ZINC001257892504 1044248060 /nfs/dbraw/zinc/24/80/60/1044248060.db2.gz ZUEWJFMLCCCBCU-AAOJFNKRSA-N 2 1 395.595 3.588 20 30 GHEDMP C=C1C[C@@H]2CC([NH+]3CC[C@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)C[C@H](C1)C2 ZINC001257892504 1044248076 /nfs/dbraw/zinc/24/80/76/1044248076.db2.gz ZUEWJFMLCCCBCU-AAOJFNKRSA-N 2 1 395.595 3.588 20 30 GHEDMP C=C1C[C@@H]2CC([NH+]3CC[C@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)C[C@H](C1)C2 ZINC001257892504 1044248090 /nfs/dbraw/zinc/24/80/90/1044248090.db2.gz ZUEWJFMLCCCBCU-AAOJFNKRSA-N 2 1 395.595 3.588 20 30 GHEDMP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179391901 835669090 /nfs/dbraw/zinc/66/90/90/835669090.db2.gz QYNNAEPFKFVZSQ-SFHVURJKSA-N 2 1 391.519 3.519 20 30 GHEDMP C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179392833 835669699 /nfs/dbraw/zinc/66/96/99/835669699.db2.gz WQADRRBHBJSKLA-UHFFFAOYSA-N 2 1 391.519 3.520 20 30 GHEDMP Cn1cc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180139460 836314637 /nfs/dbraw/zinc/31/46/37/836314637.db2.gz PKWCQERINILBME-JOCHJYFZSA-N 2 1 399.542 3.913 20 30 GHEDMP Cn1cc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180139460 836314651 /nfs/dbraw/zinc/31/46/51/836314651.db2.gz PKWCQERINILBME-JOCHJYFZSA-N 2 1 399.542 3.913 20 30 GHEDMP Cn1cc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180139460 836314659 /nfs/dbraw/zinc/31/46/59/836314659.db2.gz PKWCQERINILBME-JOCHJYFZSA-N 2 1 399.542 3.913 20 30 GHEDMP Cn1cc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180139460 836314668 /nfs/dbraw/zinc/31/46/68/836314668.db2.gz PKWCQERINILBME-JOCHJYFZSA-N 2 1 399.542 3.913 20 30 GHEDMP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000510265823 837198376 /nfs/dbraw/zinc/19/83/76/837198376.db2.gz WRDUIHGRCPMXRI-MRXNPFEDSA-N 2 1 390.959 3.983 20 30 GHEDMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000510265823 837198381 /nfs/dbraw/zinc/19/83/81/837198381.db2.gz WRDUIHGRCPMXRI-MRXNPFEDSA-N 2 1 390.959 3.983 20 30 GHEDMP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535681528 844300569 /nfs/dbraw/zinc/30/05/69/844300569.db2.gz PSHUDRBFGNRXLP-OAQYLSRUSA-N 2 1 381.564 3.564 20 30 GHEDMP COc1cc(C#N)ccc1OCCN(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000581551809 841652306 /nfs/dbraw/zinc/65/23/06/841652306.db2.gz ZWZWHZYQPXWXBV-IBGZPJMESA-N 2 1 399.560 3.770 20 30 GHEDMP COc1cc(C#N)ccc1OCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000581551809 841652310 /nfs/dbraw/zinc/65/23/10/841652310.db2.gz ZWZWHZYQPXWXBV-IBGZPJMESA-N 2 1 399.560 3.770 20 30 GHEDMP COc1cc(C#N)ccc1OCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000581551809 841652325 /nfs/dbraw/zinc/65/23/25/841652325.db2.gz ZWZWHZYQPXWXBV-IBGZPJMESA-N 2 1 399.560 3.770 20 30 GHEDMP N#Cc1ccc2ncc(C[NH2+][C@@H]3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)n2c1 ZINC000585767401 842279419 /nfs/dbraw/zinc/27/94/19/842279419.db2.gz XKGSBPFZPXMTDP-MDNUFGMLSA-N 2 1 385.515 3.596 20 30 GHEDMP COc1c(C)cnc(CN2CCC([N@@H+](C)Cc3ccc(C#N)c(C)c3)CC2)c1C ZINC000581851941 842301494 /nfs/dbraw/zinc/30/14/94/842301494.db2.gz KVONKWGOMRGLDD-UHFFFAOYSA-N 2 1 392.547 3.984 20 30 GHEDMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3ccc(C#N)c(C)c3)CC2)c1C ZINC000581851941 842301506 /nfs/dbraw/zinc/30/15/06/842301506.db2.gz KVONKWGOMRGLDD-UHFFFAOYSA-N 2 1 392.547 3.984 20 30 GHEDMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3ccc(C#N)c(C)c3)CC2)c1C ZINC000581851941 842301518 /nfs/dbraw/zinc/30/15/18/842301518.db2.gz KVONKWGOMRGLDD-UHFFFAOYSA-N 2 1 392.547 3.984 20 30 GHEDMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000433310334 844007142 /nfs/dbraw/zinc/00/71/42/844007142.db2.gz BOSQLUAPFDJMCR-UHFFFAOYSA-N 2 1 388.519 3.600 20 30 GHEDMP O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000329637964 861859884 /nfs/dbraw/zinc/85/98/84/861859884.db2.gz VWCQLVCRKIEJLO-WOJBJXKFSA-N 2 1 379.508 3.648 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH+]2CCC(CC[NH3+])CC2)cc1OC ZINC000515064672 850639733 /nfs/dbraw/zinc/63/97/33/850639733.db2.gz YBPKTJOQYGXQRC-UHFFFAOYSA-N 2 1 383.330 3.583 20 30 GHEDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)C(=O)Nc1cccc(C#N)c1 ZINC000515756780 851438618 /nfs/dbraw/zinc/43/86/18/851438618.db2.gz CQOZYCCATPAILC-OALUTQOASA-N 2 1 390.531 3.907 20 30 GHEDMP C=CC[NH+]1CCC(Nc2cc(C(C)C)[nH+]c(NC3CC[NH+](CC=C)CC3)n2)CC1 ZINC000682916522 858464606 /nfs/dbraw/zinc/46/46/06/858464606.db2.gz IHESCOPKBZTMJE-UHFFFAOYSA-N 3 1 398.599 3.725 20 30 GHEDMP CCC[N@H+](Cc1ccc(C#N)c(F)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000484084077 859808957 /nfs/dbraw/zinc/80/89/57/859808957.db2.gz KAQXQXCRQPXCJE-UHFFFAOYSA-N 2 1 381.499 3.985 20 30 GHEDMP CCC[N@@H+](Cc1ccc(C#N)c(F)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000484084077 859808963 /nfs/dbraw/zinc/80/89/63/859808963.db2.gz KAQXQXCRQPXCJE-UHFFFAOYSA-N 2 1 381.499 3.985 20 30 GHEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898518694 864078473 /nfs/dbraw/zinc/07/84/73/864078473.db2.gz JMBIPUZHKHZWGS-MALNDZBISA-N 2 1 381.564 3.976 20 30 GHEDMP C=CCOc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000607366222 864348880 /nfs/dbraw/zinc/34/88/80/864348880.db2.gz BKPSSUMCZABELP-JOCHJYFZSA-N 2 1 386.923 3.631 20 30 GHEDMP C=CCOc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000607366222 864348891 /nfs/dbraw/zinc/34/88/91/864348891.db2.gz BKPSSUMCZABELP-JOCHJYFZSA-N 2 1 386.923 3.631 20 30 GHEDMP C[NH+]=C(NCc1ccc(F)cc1F)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000262470197 864822112 /nfs/dbraw/zinc/82/21/12/864822112.db2.gz WTEFMCQXYOGTQQ-KXBFYZLASA-N 2 1 392.519 3.774 20 30 GHEDMP C=C(C)C[NH+]1CCC([NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000106245263 866394933 /nfs/dbraw/zinc/39/49/33/866394933.db2.gz KORQTBVDOFMXIE-UHFFFAOYSA-N 2 1 377.326 3.855 20 30 GHEDMP C#CCCOc1ccc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000769528696 874135358 /nfs/dbraw/zinc/13/53/58/874135358.db2.gz XTCOWRKSJDVZRX-UHFFFAOYSA-N 3 1 397.607 3.717 20 30 GHEDMP C#CCCOc1ccc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000769528696 874135362 /nfs/dbraw/zinc/13/53/62/874135362.db2.gz XTCOWRKSJDVZRX-UHFFFAOYSA-N 3 1 397.607 3.717 20 30 GHEDMP C#CCCOc1ccc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000769528696 874135366 /nfs/dbraw/zinc/13/53/66/874135366.db2.gz XTCOWRKSJDVZRX-UHFFFAOYSA-N 3 1 397.607 3.717 20 30 GHEDMP C[NH+]1CCN(c2ccc(C=[NH+]NCc3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC000771562943 875334634 /nfs/dbraw/zinc/33/46/34/875334634.db2.gz GVAJGFXPCJSYNO-UHFFFAOYSA-N 2 1 376.426 3.581 20 30 GHEDMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3cccc(C#N)c3F)CC2)c1C ZINC000538118324 878840320 /nfs/dbraw/zinc/84/03/20/878840320.db2.gz CAFZMZVTRGOTFE-UHFFFAOYSA-N 2 1 396.510 3.814 20 30 GHEDMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3cccc(C#N)c3F)CC2)c1C ZINC000538118324 878840328 /nfs/dbraw/zinc/84/03/28/878840328.db2.gz CAFZMZVTRGOTFE-UHFFFAOYSA-N 2 1 396.510 3.814 20 30 GHEDMP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214586 883667212 /nfs/dbraw/zinc/66/72/12/883667212.db2.gz LCRSOUPTIHEVPG-GOSISDBHSA-N 2 1 396.510 3.654 20 30 GHEDMP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214586 883667223 /nfs/dbraw/zinc/66/72/23/883667223.db2.gz LCRSOUPTIHEVPG-GOSISDBHSA-N 2 1 396.510 3.654 20 30 GHEDMP COc1ccc2c(c1)C[C@H]([N@@H+](Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001168256614 886825917 /nfs/dbraw/zinc/82/59/17/886825917.db2.gz FGSUMXJJLAISAN-DNVJHFABSA-N 2 1 375.516 3.806 20 30 GHEDMP N#Cc1ccc([C@H](O)C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000762927402 887115988 /nfs/dbraw/zinc/11/59/88/887115988.db2.gz SDDLCHCVLJEXHM-HSZRJFAPSA-N 2 1 375.516 3.580 20 30 GHEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000533409149 890480229 /nfs/dbraw/zinc/48/02/29/890480229.db2.gz ORQOVSYPYUXSFL-SFHVURJKSA-N 2 1 377.598 3.703 20 30 GHEDMP C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001172303391 905457026 /nfs/dbraw/zinc/45/70/26/905457026.db2.gz CNPKCGWUUCMQDE-DENIHFKCSA-N 2 1 393.531 3.838 20 30 GHEDMP C=C(C)C[NH+]1CCC(NC(=O)N(CC)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000176501714 905856449 /nfs/dbraw/zinc/85/64/49/905856449.db2.gz QYFDFEXJOHPCSU-JOCHJYFZSA-N 2 1 398.595 3.581 20 30 GHEDMP C[NH+](C)CC[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)c1ccccc1 ZINC001172972402 906035153 /nfs/dbraw/zinc/03/51/53/906035153.db2.gz YBTSAUMBQAMZBR-UFYCRDLUSA-N 2 1 386.540 3.561 20 30 GHEDMP COc1cc(C#N)ccc1OCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000303769473 915112241 /nfs/dbraw/zinc/11/22/41/915112241.db2.gz BKODDLWCAIRMCT-KNQAVFIVSA-N 2 1 393.531 3.931 20 30 GHEDMP COc1cc(C#N)ccc1OCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000303769473 915112251 /nfs/dbraw/zinc/11/22/51/915112251.db2.gz BKODDLWCAIRMCT-KNQAVFIVSA-N 2 1 393.531 3.931 20 30 GHEDMP COc1cc(C#N)ccc1OCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000303769473 915112262 /nfs/dbraw/zinc/11/22/62/915112262.db2.gz BKODDLWCAIRMCT-KNQAVFIVSA-N 2 1 393.531 3.931 20 30 GHEDMP COc1cc(C#N)ccc1OCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000303769473 915112268 /nfs/dbraw/zinc/11/22/68/915112268.db2.gz BKODDLWCAIRMCT-KNQAVFIVSA-N 2 1 393.531 3.931 20 30 GHEDMP CCOc1ccc(OCC)c(NC(=[NH2+])NCc2cccc(C[N@@H+](C)CC)c2)c1 ZINC000303864559 915222825 /nfs/dbraw/zinc/22/28/25/915222825.db2.gz BAOFHOHNZSRDND-UHFFFAOYSA-N 2 1 384.524 3.863 20 30 GHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H]([C@@H]2C)N3C(=O)OC(C)(C)C)CC1 ZINC000924989975 931604704 /nfs/dbraw/zinc/60/47/04/931604704.db2.gz WOYKHFCQJWJXTJ-AFYVEPGGSA-N 2 1 377.573 3.793 20 30 GHEDMP C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000924695046 1017003873 /nfs/dbraw/zinc/00/38/73/1017003873.db2.gz IDNWNKLOEDZGPS-QYZOEREBSA-N 2 1 390.572 3.522 20 30 GHEDMP C#CCOc1ccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)cc1 ZINC001138559351 1025021214 /nfs/dbraw/zinc/02/12/14/1025021214.db2.gz KUPMZUBNYFQOIP-OAQYLSRUSA-N 2 1 394.515 3.547 20 30 GHEDMP C[C@@H]1C[NH2+]CCC[C@H]1CNc1[nH+]cc2c(c1C#N)N(Cc1ccccc1)CC2 ZINC001162461308 1025754461 /nfs/dbraw/zinc/75/44/61/1025754461.db2.gz OLJSXQWHVKKSNF-MJGOQNOKSA-N 2 1 375.520 3.564 20 30 GHEDMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(C#N)cc1F)CC2 ZINC001140138605 1026912914 /nfs/dbraw/zinc/91/29/14/1026912914.db2.gz MWSCNXBDVCLYFB-JOCHJYFZSA-N 2 1 393.506 3.953 20 30 GHEDMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(C#N)cc1F)CC2 ZINC001140138606 1026913070 /nfs/dbraw/zinc/91/30/70/1026913070.db2.gz MWSCNXBDVCLYFB-QFIPXVFZSA-N 2 1 393.506 3.953 20 30 GHEDMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000840962455 1027995490 /nfs/dbraw/zinc/99/54/90/1027995490.db2.gz COXDQZBJCKXWST-ZFJSRUIDSA-N 2 1 393.531 3.604 20 30 GHEDMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000840962455 1027995492 /nfs/dbraw/zinc/99/54/92/1027995492.db2.gz COXDQZBJCKXWST-ZFJSRUIDSA-N 2 1 393.531 3.604 20 30 GHEDMP N#Cc1ccnc(-c2ccc(C[N@H+]3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)cc2)c1 ZINC001222602577 1030228309 /nfs/dbraw/zinc/22/83/09/1030228309.db2.gz UGUPVPCSLDHTOR-HSZRJFAPSA-N 2 1 380.495 3.809 20 30 GHEDMP N#Cc1ccc(Oc2ccc(-c3noc([C@H]([NH3+])CC4CC[NH2+]CC4)n3)cc2)cc1 ZINC001248895214 1036225431 /nfs/dbraw/zinc/22/54/31/1036225431.db2.gz BMNPNSPBONOYQG-HXUWFJFHSA-N 2 1 389.459 3.790 20 30 GHEDMP C=CCN1CC[C@@]2(C[N@@H+]([C@H]3CC[NH2+][C@@H](C(C)(C)C)C3)C[C@@H]2c2ccccc2)C1=O ZINC001246705951 1037557755 /nfs/dbraw/zinc/55/77/55/1037557755.db2.gz ZKNCRDRTAWUGDV-OUMCCJGNSA-N 2 1 395.591 3.657 20 30 GHEDMP C=CCN1CC[C@@]2(C[N@@H+]([C@@H]3CC[NH2+][C@H](C(C)(C)C)C3)C[C@@H]2c2ccccc2)C1=O ZINC001246705949 1037559241 /nfs/dbraw/zinc/55/92/41/1037559241.db2.gz ZKNCRDRTAWUGDV-APDHKMKFSA-N 2 1 395.591 3.657 20 30 GHEDMP N#CCc1ccccc1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001235514993 1040970255 /nfs/dbraw/zinc/97/02/55/1040970255.db2.gz STGGPZNMLCWUCN-RPBOFIJWSA-N 2 1 393.575 3.713 20 30 GHEDMP N#CCc1ccccc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001235519198 1040973600 /nfs/dbraw/zinc/97/36/00/1040973600.db2.gz RTFHSNBFXHUDIN-UHFFFAOYSA-N 2 1 375.516 3.620 20 30 GHEDMP N#Cc1cc(C2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ccc1N1CC[NH2+]CC1 ZINC001236475692 1041732282 /nfs/dbraw/zinc/73/22/82/1041732282.db2.gz TVKGVNXWFMJGIS-RPWUZVMVSA-N 2 1 384.527 3.788 20 30 GHEDMP COc1ccc(C[N@@H+](Cc2ccc(C#N)c(OC)c2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236554426 1041760769 /nfs/dbraw/zinc/76/07/69/1041760769.db2.gz ZSEPRQVIWMDZBH-MEMLXQNLSA-N 2 1 379.504 3.848 20 30 GHEDMP C=CC[N@H+]1CCC[C@H]1c1ccc(-c2ccc(C(=O)N3CC[NH2+]CC3)cc2)cc1 ZINC001240135582 1042895190 /nfs/dbraw/zinc/89/51/90/1042895190.db2.gz MHEFGGWOILBAOP-QHCPKHFHSA-N 2 1 375.516 3.722 20 30 GHEDMP C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256521613 1043444928 /nfs/dbraw/zinc/44/49/28/1043444928.db2.gz ARGOIONPGFWCST-UEVCKROQSA-N 2 1 391.559 3.534 20 30 GHEDMP C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256521613 1043444937 /nfs/dbraw/zinc/44/49/37/1043444937.db2.gz ARGOIONPGFWCST-UEVCKROQSA-N 2 1 391.559 3.534 20 30 GHEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001256605422 1043568715 /nfs/dbraw/zinc/56/87/15/1043568715.db2.gz GKFUOQNLCDYSBX-DEOSSOPVSA-N 2 1 381.564 3.684 20 30 GHEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@H+](C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001256605422 1043568720 /nfs/dbraw/zinc/56/87/20/1043568720.db2.gz GKFUOQNLCDYSBX-DEOSSOPVSA-N 2 1 381.564 3.684 20 30 GHEDMP COC(=O)CC1CCC([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001256980378 1043782811 /nfs/dbraw/zinc/78/28/11/1043782811.db2.gz XMYKFIULPOBIBB-OGWRICIPSA-N 2 1 383.536 3.752 20 30 GHEDMP C=CCOC(=O)N1CCC2(CC1)CC[NH+](C1CC[NH+](CC(C)C)CC1)CC2 ZINC001258010703 1044335971 /nfs/dbraw/zinc/33/59/71/1044335971.db2.gz CZCPPLYGBUZOOM-UHFFFAOYSA-N 2 1 377.573 3.607 20 30 GHEDMP C=CCOC(=O)N1CCC2(CCC[N@H+](C3CC[NH+](CC(C)C)CC3)C2)CC1 ZINC001258011671 1044337302 /nfs/dbraw/zinc/33/73/02/1044337302.db2.gz NSDYCOUDPYZUMS-UHFFFAOYSA-N 2 1 377.573 3.607 20 30 GHEDMP N#Cc1c(N)sc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccc[nH]4)CC[C@@H]3C2)c1Cl ZINC001279370285 1047783425 /nfs/dbraw/zinc/78/34/25/1047783425.db2.gz MZAOZRPEGPVFTF-OKILXGFUSA-N 2 1 389.956 3.527 20 30 GHEDMP N#Cc1c(N)sc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccc[nH]4)CC[C@@H]3C2)c1Cl ZINC001279370285 1047783435 /nfs/dbraw/zinc/78/34/35/1047783435.db2.gz MZAOZRPEGPVFTF-OKILXGFUSA-N 2 1 389.956 3.527 20 30 GHEDMP N#Cc1c(N)sc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccc[nH]4)CC[C@@H]3C2)c1Cl ZINC001279370285 1047783444 /nfs/dbraw/zinc/78/34/44/1047783444.db2.gz MZAOZRPEGPVFTF-OKILXGFUSA-N 2 1 389.956 3.527 20 30 GHEDMP C[NH+]=C(NCc1ccc(C)s1)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000262467877 834924759 /nfs/dbraw/zinc/92/47/59/834924759.db2.gz YNZCOCOJYCGZNY-MAUKXSAKSA-N 2 1 376.595 3.866 20 30 GHEDMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278685341 835790413 /nfs/dbraw/zinc/79/04/13/835790413.db2.gz PHWFSQCBRATGCG-LJQANCHMSA-N 2 1 380.540 3.603 20 30 GHEDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)C(=O)Nc1cccc(C#N)c1 ZINC000515756781 851438371 /nfs/dbraw/zinc/43/83/71/851438371.db2.gz CQOZYCCATPAILC-RBUKOAKNSA-N 2 1 390.531 3.907 20 30 GHEDMP C=C(C)C[NH+]1CCC(NC(=O)N(CC)[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000473955931 854424762 /nfs/dbraw/zinc/42/47/62/854424762.db2.gz KPTZGFQLVWVXPC-OFNKIYASSA-N 2 1 398.595 3.894 20 30 GHEDMP C=CCN(CC(=O)Nc1ccc(CN2CCOCC2)cc1)CC1CCCCC1 ZINC000484491765 860032011 /nfs/dbraw/zinc/03/20/11/860032011.db2.gz WAIZWAJKJFOEBM-UHFFFAOYSA-N 2 1 385.552 3.526 20 30 GHEDMP CC[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)N1CC[C@H](c2ccccc2)C1 ZINC000262447625 864468059 /nfs/dbraw/zinc/46/80/59/864468059.db2.gz JCSFPWVEIYYXLD-NRFANRHFSA-N 2 1 388.519 3.531 20 30 GHEDMP C=CC[NH+]1CCC(Nc2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)CC1 ZINC000301154823 865193001 /nfs/dbraw/zinc/19/30/01/865193001.db2.gz CNBQHFWQNYDWRF-UHFFFAOYSA-N 2 1 385.581 3.966 20 30 GHEDMP COC(=O)C1(C)CCC([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001168771131 865415966 /nfs/dbraw/zinc/41/59/66/865415966.db2.gz SWPLEUUICKAGKG-FDNODPCQSA-N 2 1 383.536 3.752 20 30 GHEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534228896 866295548 /nfs/dbraw/zinc/29/55/48/866295548.db2.gz HQJCDWBFYSQASA-OAQYLSRUSA-N 2 1 383.580 3.788 20 30 GHEDMP CCC[N@H+](Cc1cccc(F)c1C#N)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000428400847 868271816 /nfs/dbraw/zinc/27/18/16/868271816.db2.gz LZGBCXSJJGQVFS-UHFFFAOYSA-N 2 1 381.499 3.985 20 30 GHEDMP CCC[N@@H+](Cc1cccc(F)c1C#N)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000428400847 868271832 /nfs/dbraw/zinc/27/18/32/868271832.db2.gz LZGBCXSJJGQVFS-UHFFFAOYSA-N 2 1 381.499 3.985 20 30 GHEDMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1)CC1CC1 ZINC000540049353 870262574 /nfs/dbraw/zinc/26/25/74/870262574.db2.gz KJQBHHNPJSYMCY-GOSISDBHSA-N 2 1 382.552 3.719 20 30 GHEDMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3ccc(CC#N)cc3)CC2)c1C ZINC000542263755 875277790 /nfs/dbraw/zinc/27/77/90/875277790.db2.gz MNCXRPVMOBIALI-UHFFFAOYSA-N 2 1 392.547 3.870 20 30 GHEDMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3ccc(CC#N)cc3)CC2)c1C ZINC000542263755 875277800 /nfs/dbraw/zinc/27/78/00/875277800.db2.gz MNCXRPVMOBIALI-UHFFFAOYSA-N 2 1 392.547 3.870 20 30 GHEDMP C=CCC1(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCCC1 ZINC000450060190 875879683 /nfs/dbraw/zinc/87/96/83/875879683.db2.gz MGKDNGPWLZPHSR-UHFFFAOYSA-N 2 1 375.601 3.778 20 30 GHEDMP C=C(Cl)C[C@H]([NH3+])c1nc(-c2ccc(N3CCC[N@@H+](C)CC3)c(Cl)c2)no1 ZINC000872177392 891200914 /nfs/dbraw/zinc/20/09/14/891200914.db2.gz IUAWYRHHWOMYJN-HNNXBMFYSA-N 2 1 396.322 3.674 20 30 GHEDMP C=C(Cl)C[C@H]([NH3+])c1nc(-c2ccc(N3CCC[N@H+](C)CC3)c(Cl)c2)no1 ZINC000872177392 891200930 /nfs/dbraw/zinc/20/09/30/891200930.db2.gz IUAWYRHHWOMYJN-HNNXBMFYSA-N 2 1 396.322 3.674 20 30 GHEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000815652545 894096486 /nfs/dbraw/zinc/09/64/86/894096486.db2.gz HPBJNFVAWJVABG-LJQANCHMSA-N 2 1 376.504 3.519 20 30 GHEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000815652545 894096493 /nfs/dbraw/zinc/09/64/93/894096493.db2.gz HPBJNFVAWJVABG-LJQANCHMSA-N 2 1 376.504 3.519 20 30 GHEDMP COc1ccc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)cc1C#N ZINC000151375039 904116812 /nfs/dbraw/zinc/11/68/12/904116812.db2.gz LVPJIBGITYKPRF-UHFFFAOYSA-N 2 1 378.520 3.957 20 30 GHEDMP CC(=O)n1ccc2cc(C[C@H](C)[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)cc(C#N)c21 ZINC001172118635 905374405 /nfs/dbraw/zinc/37/44/05/905374405.db2.gz SQQSDUKBWDXLQM-RWXMBLCBSA-N 2 1 378.520 3.709 20 30 GHEDMP CC(=O)n1ccc2cc(C[C@H](C)[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)cc(C#N)c21 ZINC001172118635 905374423 /nfs/dbraw/zinc/37/44/23/905374423.db2.gz SQQSDUKBWDXLQM-RWXMBLCBSA-N 2 1 378.520 3.709 20 30 GHEDMP COc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1OCCCC#N ZINC000180785603 906844332 /nfs/dbraw/zinc/84/43/32/906844332.db2.gz AIKRRADRKLQLCD-CTNGQTDRSA-N 2 1 383.536 3.826 20 30 GHEDMP COc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1OCCCC#N ZINC000180785603 906844341 /nfs/dbraw/zinc/84/43/41/906844341.db2.gz AIKRRADRKLQLCD-CTNGQTDRSA-N 2 1 383.536 3.826 20 30 GHEDMP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1OCCCC#N ZINC000180785603 906844354 /nfs/dbraw/zinc/84/43/54/906844354.db2.gz AIKRRADRKLQLCD-CTNGQTDRSA-N 2 1 383.536 3.826 20 30 GHEDMP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1OCCCC#N ZINC000180785603 906844369 /nfs/dbraw/zinc/84/43/69/906844369.db2.gz AIKRRADRKLQLCD-CTNGQTDRSA-N 2 1 383.536 3.826 20 30 GHEDMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(OCC#N)cc1 ZINC000245964190 910024646 /nfs/dbraw/zinc/02/46/46/910024646.db2.gz YRVKFOBHQVUIQZ-RDPSFJRHSA-N 2 1 392.547 3.618 20 30 GHEDMP COc1ccc(NC(=[NH2+])NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)cc1Cl ZINC000303973402 915344930 /nfs/dbraw/zinc/34/49/30/915344930.db2.gz GTXQQYDVALSHPD-MRXNPFEDSA-N 2 1 376.888 3.814 20 30 GHEDMP Cc1nc(C[NH+]2CCC(CNC(=[NH2+])N[C@H](C)CCCC(C)C)CC2)oc1C ZINC000304742218 915669139 /nfs/dbraw/zinc/66/91/39/915669139.db2.gz CNGAMSRYVPNGHX-MRXNPFEDSA-N 2 1 377.577 3.623 20 30 GHEDMP C[N@H+]1CCC[C@H](CNC(=[NH2+])NCC2CCC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000304764534 915700847 /nfs/dbraw/zinc/70/08/47/915700847.db2.gz YCEURCSWMFIORJ-SJLPKXTDSA-N 2 1 382.474 3.793 20 30 GHEDMP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000467759004 929379470 /nfs/dbraw/zinc/37/94/70/929379470.db2.gz LFYAGBGHFYNULS-FPOVZHCZSA-N 2 1 386.584 3.895 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH+]2CCC(C[NH2+]C)CC2)cc1OCC ZINC000470019869 930321157 /nfs/dbraw/zinc/32/11/57/930321157.db2.gz VBJYKDAQQFQIEL-UHFFFAOYSA-N 2 1 397.357 3.844 20 30 GHEDMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)cc1 ZINC001204271169 1032715292 /nfs/dbraw/zinc/71/52/92/1032715292.db2.gz HHMNBPBISXJENM-XMMPIXPASA-N 2 1 393.531 3.932 20 30 GHEDMP C[C@@]12C[NH+](Cc3ccccc3)C[C@]1(C)C[N@@H+](CCCC1(C#N)CCOCC1)C2 ZINC000931225485 1017944827 /nfs/dbraw/zinc/94/48/27/1017944827.db2.gz ULOVMPKXZHRCSE-ZRZAMGCNSA-N 2 1 381.564 3.931 20 30 GHEDMP C[C@@]12C[NH+](Cc3ccccc3)C[C@]1(C)C[N@H+](CCCC1(C#N)CCOCC1)C2 ZINC000931225485 1017944829 /nfs/dbraw/zinc/94/48/29/1017944829.db2.gz ULOVMPKXZHRCSE-ZRZAMGCNSA-N 2 1 381.564 3.931 20 30 GHEDMP C[C@]12C[NH+](CCCC3(C#N)CCOCC3)C[C@@]1(C)C[N@H+](Cc1ccccc1)C2 ZINC000931225485 1017944830 /nfs/dbraw/zinc/94/48/30/1017944830.db2.gz ULOVMPKXZHRCSE-ZRZAMGCNSA-N 2 1 381.564 3.931 20 30 GHEDMP C[C@]12C[NH+](CCCC3(C#N)CCOCC3)C[C@@]1(C)C[N@@H+](Cc1ccccc1)C2 ZINC000931225485 1017944837 /nfs/dbraw/zinc/94/48/37/1017944837.db2.gz ULOVMPKXZHRCSE-ZRZAMGCNSA-N 2 1 381.564 3.931 20 30 GHEDMP C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccc(-n4cc[nH+]c4C)cc3)C2)C1 ZINC001138542315 1024985064 /nfs/dbraw/zinc/98/50/64/1024985064.db2.gz COUCGGAXYDJULL-QHCPKHFHSA-N 2 1 394.519 3.791 20 30 GHEDMP C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](Cc3ccc(-n4cc[nH+]c4C)cc3)C2)C1 ZINC001138542315 1024985065 /nfs/dbraw/zinc/98/50/65/1024985065.db2.gz COUCGGAXYDJULL-QHCPKHFHSA-N 2 1 394.519 3.791 20 30 GHEDMP N#Cc1ccc(CN2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)cc1F ZINC001139527468 1026385562 /nfs/dbraw/zinc/38/55/62/1026385562.db2.gz CQDJIZDUTVJZEM-VWNXMTODSA-N 2 1 397.538 3.658 20 30 GHEDMP C=CC[N@@H+]1CCc2c(Cl)c(O[C@@H]3CC[NH2+]C3)c(O)cc2[C@H](c2ccccc2)C1 ZINC001218038845 1030736504 /nfs/dbraw/zinc/73/65/04/1030736504.db2.gz ZVZPYQSGKQKQMF-XLIONFOSSA-N 2 1 398.934 3.962 20 30 GHEDMP N#Cc1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)ccc1F ZINC001205472916 1033428847 /nfs/dbraw/zinc/42/88/47/1033428847.db2.gz LJCXJGBONKRAIA-UHFFFAOYSA-N 2 1 379.479 3.564 20 30 GHEDMP C=CCOC(=O)N1CCCC2(CC[NH+]([C@H]3CC[NH2+][C@H](c4ccccc4)C3)CC2)C1 ZINC001246527213 1037461792 /nfs/dbraw/zinc/46/17/92/1037461792.db2.gz SROIHFMXSOSIMM-VXKWHMMOSA-N 2 1 397.563 3.980 20 30 GHEDMP C=CCN1CC[C@@]2(C[N@@H+]([C@H]3CC[NH2+][C@@H](CCCC)C3)C[C@@H]2c2ccccc2)C1=O ZINC001246704500 1037559310 /nfs/dbraw/zinc/55/93/10/1037559310.db2.gz WAASHXGGNDRSNS-UCKMRUJXSA-N 2 1 395.591 3.801 20 30 GHEDMP CCCCCCCC[C@H](O)C[N@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001252126876 1038876375 /nfs/dbraw/zinc/87/63/75/1038876375.db2.gz UMDGOOMCAZRUMX-XPWALMASSA-N 2 1 380.617 3.778 20 30 GHEDMP CCCCCCCC[C@H](O)C[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001252126876 1038876396 /nfs/dbraw/zinc/87/63/96/1038876396.db2.gz UMDGOOMCAZRUMX-XPWALMASSA-N 2 1 380.617 3.778 20 30 GHEDMP CCCCCCCC[C@H](O)C[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001252126876 1038876416 /nfs/dbraw/zinc/87/64/16/1038876416.db2.gz UMDGOOMCAZRUMX-XPWALMASSA-N 2 1 380.617 3.778 20 30 GHEDMP CCCCCCCCCC[C@H](O)C[NH+]1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001252983666 1039310831 /nfs/dbraw/zinc/31/08/31/1039310831.db2.gz YHDXUVLOAOFCIV-QFIPXVFZSA-N 2 1 395.632 3.540 20 30 GHEDMP C=CCOC(=O)N[C@@H]1CCC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255150438 1040865506 /nfs/dbraw/zinc/86/55/06/1040865506.db2.gz UXRFCGLJAWXHCE-CZYKHXBRSA-N 2 1 383.536 3.559 20 30 GHEDMP C=CCOC(=O)N[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255150438 1040865524 /nfs/dbraw/zinc/86/55/24/1040865524.db2.gz UXRFCGLJAWXHCE-CZYKHXBRSA-N 2 1 383.536 3.559 20 30 GHEDMP C=CCOC(=O)N[C@@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255150438 1040865533 /nfs/dbraw/zinc/86/55/33/1040865533.db2.gz UXRFCGLJAWXHCE-CZYKHXBRSA-N 2 1 383.536 3.559 20 30 GHEDMP C=CCOC(=O)N[C@@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255150438 1040865548 /nfs/dbraw/zinc/86/55/48/1040865548.db2.gz UXRFCGLJAWXHCE-CZYKHXBRSA-N 2 1 383.536 3.559 20 30 GHEDMP CN(CCC#N)c1ccc(C[N@H+](Cc2cccc(F)c2)C2CC[NH2+]CC2)cc1 ZINC001236406617 1041703401 /nfs/dbraw/zinc/70/34/01/1041703401.db2.gz BJKOMUMGIOJSHA-UHFFFAOYSA-N 2 1 380.511 3.930 20 30 GHEDMP CN(CCC#N)c1ccc(C[N@@H+](Cc2cccc(F)c2)C2CC[NH2+]CC2)cc1 ZINC001236406617 1041703407 /nfs/dbraw/zinc/70/34/07/1041703407.db2.gz BJKOMUMGIOJSHA-UHFFFAOYSA-N 2 1 380.511 3.930 20 30 GHEDMP N#Cc1ccc2nc(C[N@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)cn2c1 ZINC001237615178 1042282188 /nfs/dbraw/zinc/28/21/88/1042282188.db2.gz VEUDWBNPXCUCBE-UHFFFAOYSA-N 2 1 385.515 3.694 20 30 GHEDMP CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)c1 ZINC001324923862 1057248439 /nfs/dbraw/zinc/24/84/39/1057248439.db2.gz GXJIKGJKOGKWHM-FQEVSTJZSA-N 2 1 396.510 3.548 20 30 GHEDMP FC(F)(F)Oc1ccc(C#CCN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246563840 834931360 /nfs/dbraw/zinc/93/13/60/834931360.db2.gz LCDRMVPSFZWVFQ-FXAWDEMLSA-N 2 1 378.438 3.885 20 30 GHEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000183143002 846379357 /nfs/dbraw/zinc/37/93/57/846379357.db2.gz YNMNUYLSAQTRFK-CQSZACIVSA-N 2 1 377.448 3.552 20 30 GHEDMP C=CCN(CC1CCCCC1)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000516783164 852994561 /nfs/dbraw/zinc/99/45/61/852994561.db2.gz ASTGVDFLEJQVFI-UHFFFAOYSA-N 2 1 375.601 3.778 20 30 GHEDMP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000574692578 855714547 /nfs/dbraw/zinc/71/45/47/855714547.db2.gz BFKYGRGNWOUZRV-CAOCKLPOSA-N 2 1 389.543 3.798 20 30 GHEDMP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000574692578 855714551 /nfs/dbraw/zinc/71/45/51/855714551.db2.gz BFKYGRGNWOUZRV-CAOCKLPOSA-N 2 1 389.543 3.798 20 30 GHEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(CC(C)C)c3ccc(C#N)cc3)CC2)CC1 ZINC000574650197 858106310 /nfs/dbraw/zinc/10/63/10/858106310.db2.gz RCQZUKCSAJMRKA-UHFFFAOYSA-N 2 1 396.579 3.744 20 30 GHEDMP N#CC1(c2ccccc2)CCC([NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC000595066093 858368835 /nfs/dbraw/zinc/36/88/35/858368835.db2.gz BWWINGABFUWDIP-OADZCNSWSA-N 2 1 389.543 3.747 20 30 GHEDMP C=CCOc1c(Cl)cc(C[NH2+]CCCN2CCCO[C@H](C)C2)cc1OC ZINC000623507730 861125317 /nfs/dbraw/zinc/12/53/17/861125317.db2.gz XSYCCCKEEPTICN-MRXNPFEDSA-N 2 1 382.932 3.504 20 30 GHEDMP C=CCOc1c(Cl)cc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1OC ZINC000623507730 861125318 /nfs/dbraw/zinc/12/53/18/861125318.db2.gz XSYCCCKEEPTICN-MRXNPFEDSA-N 2 1 382.932 3.504 20 30 GHEDMP C=CCOc1c(Cl)cc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1OC ZINC000623507730 861125321 /nfs/dbraw/zinc/12/53/21/861125321.db2.gz XSYCCCKEEPTICN-MRXNPFEDSA-N 2 1 382.932 3.504 20 30 GHEDMP CC[C@H](C)c1ccc(NC(=[NH2+])NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000303776933 866331136 /nfs/dbraw/zinc/33/11/36/866331136.db2.gz ICLGREYNRSSPIR-SFHVURJKSA-N 2 1 380.536 3.959 20 30 GHEDMP [NH2+]=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)Nc1cccc2c1CCCC2 ZINC000304667796 866504512 /nfs/dbraw/zinc/50/45/12/866504512.db2.gz LGWWRYCCYZWFPP-HXUWFJFHSA-N 2 1 376.548 3.857 20 30 GHEDMP CC[NH+](CC)CCCC1CC[NH+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000182779839 872768039 /nfs/dbraw/zinc/76/80/39/872768039.db2.gz NPJCWOPNURBBRK-LJQANCHMSA-N 2 1 388.581 3.559 20 30 GHEDMP C=C(C[NH+]1CCCC1)C(=O)Nc1cccc2c1C[N@@H+](C)C[C@@H]2c1ccccc1 ZINC001183076241 912235315 /nfs/dbraw/zinc/23/53/15/912235315.db2.gz SUXUXJGMMDNLOM-OAQYLSRUSA-N 2 1 375.516 3.854 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1OC ZINC000666999501 877496553 /nfs/dbraw/zinc/49/65/53/877496553.db2.gz QDTUBZBAHUYNOI-HNNXBMFYSA-N 2 1 395.341 3.787 20 30 GHEDMP C[C@H](Cc1ccc(O)cc1)[NH+](C)CC#CC[N@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000551699455 877664606 /nfs/dbraw/zinc/66/46/06/877664606.db2.gz CJRFWPYTCYBWDE-BGYRXZFFSA-N 2 1 380.532 3.527 20 30 GHEDMP C[C@H](Cc1ccc(O)cc1)[N@@H+](C)CC#CC[NH+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000551699455 877664620 /nfs/dbraw/zinc/66/46/20/877664620.db2.gz CJRFWPYTCYBWDE-BGYRXZFFSA-N 2 1 380.532 3.527 20 30 GHEDMP C[C@H](Cc1ccc(O)cc1)[N@H+](C)CC#CC[NH+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000551699455 877664628 /nfs/dbraw/zinc/66/46/28/877664628.db2.gz CJRFWPYTCYBWDE-BGYRXZFFSA-N 2 1 380.532 3.527 20 30 GHEDMP C#CCCOc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000113327932 880517198 /nfs/dbraw/zinc/51/71/98/880517198.db2.gz UIQMFKOBZNNYPO-HXUWFJFHSA-N 2 1 378.516 3.599 20 30 GHEDMP C#CCCOc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000113327932 880517209 /nfs/dbraw/zinc/51/72/09/880517209.db2.gz UIQMFKOBZNNYPO-HXUWFJFHSA-N 2 1 378.516 3.599 20 30 GHEDMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000476990994 883526964 /nfs/dbraw/zinc/52/69/64/883526964.db2.gz XZRBGTOYEWUOBU-HXUWFJFHSA-N 2 1 388.600 3.648 20 30 GHEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000476990994 883526977 /nfs/dbraw/zinc/52/69/77/883526977.db2.gz XZRBGTOYEWUOBU-HXUWFJFHSA-N 2 1 388.600 3.648 20 30 GHEDMP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214591 883666724 /nfs/dbraw/zinc/66/67/24/883666724.db2.gz LCRSOUPTIHEVPG-SFHVURJKSA-N 2 1 396.510 3.654 20 30 GHEDMP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214591 883666733 /nfs/dbraw/zinc/66/67/33/883666733.db2.gz LCRSOUPTIHEVPG-SFHVURJKSA-N 2 1 396.510 3.654 20 30 GHEDMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000191509984 885246967 /nfs/dbraw/zinc/24/69/67/885246967.db2.gz JRFYJRNZPURBII-OAHLLOKOSA-N 2 1 387.915 3.710 20 30 GHEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000191509984 885247118 /nfs/dbraw/zinc/24/71/18/885247118.db2.gz JRFYJRNZPURBII-OAHLLOKOSA-N 2 1 387.915 3.710 20 30 GHEDMP C=CCc1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(O)c(OC)c1 ZINC000794665020 887711114 /nfs/dbraw/zinc/71/11/14/887711114.db2.gz FFTVUNHFUYUXPT-SZPZYZBQSA-N 2 1 378.516 3.693 20 30 GHEDMP C=CCc1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c(O)c(OC)c1 ZINC000794665020 887711126 /nfs/dbraw/zinc/71/11/26/887711126.db2.gz FFTVUNHFUYUXPT-SZPZYZBQSA-N 2 1 378.516 3.693 20 30 GHEDMP C=CCc1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c(O)c(OC)c1 ZINC000794665020 887711141 /nfs/dbraw/zinc/71/11/41/887711141.db2.gz FFTVUNHFUYUXPT-SZPZYZBQSA-N 2 1 378.516 3.693 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1OCC ZINC000537346043 894806090 /nfs/dbraw/zinc/80/60/90/894806090.db2.gz VLFZVBAFBDAINY-UHFFFAOYSA-N 2 1 395.341 3.764 20 30 GHEDMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCCC3(C#N)CCOCC3)C2)s1 ZINC000565047199 895368224 /nfs/dbraw/zinc/36/82/24/895368224.db2.gz CXTLOPJRDWSNLF-IBGZPJMESA-N 2 1 375.582 3.911 20 30 GHEDMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCCC3(C#N)CCOCC3)C2)s1 ZINC000565047199 895368239 /nfs/dbraw/zinc/36/82/39/895368239.db2.gz CXTLOPJRDWSNLF-IBGZPJMESA-N 2 1 375.582 3.911 20 30 GHEDMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCCC3(C#N)CCOCC3)C2)s1 ZINC000565047199 895368251 /nfs/dbraw/zinc/36/82/51/895368251.db2.gz CXTLOPJRDWSNLF-IBGZPJMESA-N 2 1 375.582 3.911 20 30 GHEDMP C=CCc1ccccc1OC[C@@H](O)C[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000567689377 897339588 /nfs/dbraw/zinc/33/95/88/897339588.db2.gz JCPVCAPDUGGHDF-YKSBVNFPSA-N 2 1 394.559 3.970 20 30 GHEDMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000290521592 914716372 /nfs/dbraw/zinc/71/63/72/914716372.db2.gz QADVFZKGOMUYPI-UHFFFAOYSA-N 2 1 391.523 3.530 20 30 GHEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000290521592 914716390 /nfs/dbraw/zinc/71/63/90/914716390.db2.gz QADVFZKGOMUYPI-UHFFFAOYSA-N 2 1 391.523 3.530 20 30 GHEDMP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+]([C@H](C)CCCC#N)CC2 ZINC001172497157 905599551 /nfs/dbraw/zinc/59/95/51/905599551.db2.gz YYTKWZGJVVTLCV-MSOLQXFVSA-N 2 1 376.570 3.528 20 30 GHEDMP C[C@@H](CCCC#N)[NH+]1CCC([NH+]2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC001172509957 905604197 /nfs/dbraw/zinc/60/41/97/905604197.db2.gz SZVLTQAVDXTMKK-KRWDZBQOSA-N 2 1 378.561 3.522 20 30 GHEDMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](C4CCC(CC#N)CC4)CC3)C2)c1 ZINC001173332802 906376224 /nfs/dbraw/zinc/37/62/24/906376224.db2.gz GIUBVJFXWTYXDP-UHFFFAOYSA-N 2 1 397.563 3.834 20 30 GHEDMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](C4CCC(CC#N)CC4)CC3)C2)c1 ZINC001173332802 906376238 /nfs/dbraw/zinc/37/62/38/906376238.db2.gz GIUBVJFXWTYXDP-UHFFFAOYSA-N 2 1 397.563 3.834 20 30 GHEDMP C#CCOc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000248447750 912107951 /nfs/dbraw/zinc/10/79/51/912107951.db2.gz NPGFXJAYIHHSSJ-CVDCTZTESA-N 2 1 378.516 3.506 20 30 GHEDMP C=CCOc1c(Br)cc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000363371290 918162340 /nfs/dbraw/zinc/16/23/40/918162340.db2.gz DXTBMYSPUQVHQB-CVEARBPZSA-N 2 1 395.341 3.739 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000363371290 918162356 /nfs/dbraw/zinc/16/23/56/918162356.db2.gz DXTBMYSPUQVHQB-CVEARBPZSA-N 2 1 395.341 3.739 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000363371290 918162361 /nfs/dbraw/zinc/16/23/61/918162361.db2.gz DXTBMYSPUQVHQB-CVEARBPZSA-N 2 1 395.341 3.739 20 30 GHEDMP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000799178807 932899608 /nfs/dbraw/zinc/89/96/08/932899608.db2.gz LGDJVBIQKXLIRE-OAQYLSRUSA-N 2 1 396.579 3.746 20 30 GHEDMP C#CCOc1ccc(CN2C[C@@H]3C[N@H+](Cc4ccc(C)cc4)C[C@@H]3C2)cc1OC ZINC001138345178 1024706920 /nfs/dbraw/zinc/70/69/20/1024706920.db2.gz KYXFKIFKHKZWBU-ZRZAMGCNSA-N 2 1 390.527 3.579 20 30 GHEDMP N#Cc1cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)ncc1Cl ZINC001162928276 1025970135 /nfs/dbraw/zinc/97/01/35/1025970135.db2.gz IGWNEVGFNQGLKA-IBGZPJMESA-N 2 1 395.938 3.520 20 30 GHEDMP N#Cc1cc2[nH]ccc2c(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1 ZINC001162941266 1025979009 /nfs/dbraw/zinc/97/90/09/1025979009.db2.gz UBUKTKPDUKVVGE-NRFANRHFSA-N 2 1 399.542 3.953 20 30 GHEDMP Cc1ccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)cc1C#N ZINC001139725023 1026568650 /nfs/dbraw/zinc/56/86/50/1026568650.db2.gz ZMAOONKXWAUKTR-HSZRJFAPSA-N 2 1 390.531 3.517 20 30 GHEDMP C=CC[N@H+](C)CCN(CC)C(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001139869268 1026683140 /nfs/dbraw/zinc/68/31/40/1026683140.db2.gz CVVHLBMKKLMNRC-BJKOFHAPSA-N 2 1 397.607 3.891 20 30 GHEDMP C=CC[NH+](C)CCN(CC)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001139869268 1026683145 /nfs/dbraw/zinc/68/31/45/1026683145.db2.gz CVVHLBMKKLMNRC-BJKOFHAPSA-N 2 1 397.607 3.891 20 30 GHEDMP C=CC[NH+](C)CCN(CC)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001139869268 1026683147 /nfs/dbraw/zinc/68/31/47/1026683147.db2.gz CVVHLBMKKLMNRC-BJKOFHAPSA-N 2 1 397.607 3.891 20 30 GHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)CC1 ZINC000842681952 1029487759 /nfs/dbraw/zinc/48/77/59/1029487759.db2.gz KQIKMXVDKFSKCQ-CMKODMSKSA-N 2 1 377.573 3.652 20 30 GHEDMP C#Cc1cccc(C[NH+]2CCC3(C[C@H](COC)[N@@H+](Cc4nccs4)C3)CC2)c1 ZINC001231656100 1034813087 /nfs/dbraw/zinc/81/30/87/1034813087.db2.gz XQOZKWJEMJCOKX-OAQYLSRUSA-N 2 1 395.572 3.628 20 30 GHEDMP C#Cc1cccc(C[NH+]2CCC3(C[C@H](COC)[N@H+](Cc4nccs4)C3)CC2)c1 ZINC001231656100 1034813091 /nfs/dbraw/zinc/81/30/91/1034813091.db2.gz XQOZKWJEMJCOKX-OAQYLSRUSA-N 2 1 395.572 3.628 20 30 GHEDMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](CCc1ccc(C#N)cc1)CC2 ZINC001208922429 1035089784 /nfs/dbraw/zinc/08/97/84/1035089784.db2.gz GROHERMZXINHLO-XMMPIXPASA-N 2 1 389.543 3.856 20 30 GHEDMP Cc1cc(C#N)ccc1C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001233079838 1038848608 /nfs/dbraw/zinc/84/86/08/1038848608.db2.gz OZYJXDRKICAINN-QHCPKHFHSA-N 2 1 390.531 3.517 20 30 GHEDMP C=CCOC(=O)N1CCC(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255397249 1040984350 /nfs/dbraw/zinc/98/43/50/1040984350.db2.gz NVEGUPMMERVGOI-JOCHJYFZSA-N 2 1 385.552 3.665 20 30 GHEDMP C=CCOc1ccccc1C[N@@H+]1CCCn2cnc(C[NH2+]C3CCCC3)c2C1 ZINC001235647800 1041089716 /nfs/dbraw/zinc/08/97/16/1041089716.db2.gz ZNIJTTTVMLGOTB-UHFFFAOYSA-N 2 1 380.536 3.886 20 30 GHEDMP C=CCOc1ccccc1C[N@H+]1CCCn2cnc(C[NH2+]C3CCCC3)c2C1 ZINC001235647800 1041089730 /nfs/dbraw/zinc/08/97/30/1041089730.db2.gz ZNIJTTTVMLGOTB-UHFFFAOYSA-N 2 1 380.536 3.886 20 30 GHEDMP C=CCN1CC[C@@]2(CCC[N@H+](Cc3ccc4c(c3)C(C(C)C)=[NH+]CC4)C2)C1=O ZINC001237876774 1042405474 /nfs/dbraw/zinc/40/54/74/1042405474.db2.gz HXPOEMRJGLKWMK-XMMPIXPASA-N 2 1 379.548 3.688 20 30 GHEDMP C=CCOC(=O)N1CC2(C1)CC[NH+]([C@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC001256537401 1043483337 /nfs/dbraw/zinc/48/33/37/1043483337.db2.gz NJRZQOJWKPEHDN-IRLDBZIGSA-N 2 1 397.563 3.760 20 30 GHEDMP C=CCOC(=O)N1CC2(C1)CC[NH+]([C@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC001256537401 1043483343 /nfs/dbraw/zinc/48/33/43/1043483343.db2.gz NJRZQOJWKPEHDN-IRLDBZIGSA-N 2 1 397.563 3.760 20 30 GHEDMP CCCCCCC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001258048929 1044370757 /nfs/dbraw/zinc/37/07/57/1044370757.db2.gz ZIDLBJGLLLRAST-DNVJHFABSA-N 2 1 379.633 3.996 20 30 GHEDMP CCCCCCC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001258048929 1044370770 /nfs/dbraw/zinc/37/07/70/1044370770.db2.gz ZIDLBJGLLLRAST-DNVJHFABSA-N 2 1 379.633 3.996 20 30 GHEDMP CCCCCCC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001258048929 1044370782 /nfs/dbraw/zinc/37/07/82/1044370782.db2.gz ZIDLBJGLLLRAST-DNVJHFABSA-N 2 1 379.633 3.996 20 30 GHEDMP C=CCC[C@H](C)[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCc2ccccn2)C1 ZINC001258728948 1044735511 /nfs/dbraw/zinc/73/55/11/1044735511.db2.gz RVXTXJATEAHIOW-BGWNEDDSSA-N 2 1 383.580 3.987 20 30 GHEDMP C=CCC[C@H](C)[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1ccccn1 ZINC001258728948 1044735525 /nfs/dbraw/zinc/73/55/25/1044735525.db2.gz RVXTXJATEAHIOW-BGWNEDDSSA-N 2 1 383.580 3.987 20 30 GHEDMP C=CCC[C@H](C)[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1ccccn1 ZINC001258728948 1044735529 /nfs/dbraw/zinc/73/55/29/1044735529.db2.gz RVXTXJATEAHIOW-BGWNEDDSSA-N 2 1 383.580 3.987 20 30 GHEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)C(C)C ZINC001467660764 1067404805 /nfs/dbraw/zinc/40/48/05/1067404805.db2.gz YKYVWRSEXPHNMZ-GGAORHGYSA-N 2 1 398.595 3.773 20 30 GHEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)C(C)C ZINC001467660766 1067404859 /nfs/dbraw/zinc/40/48/59/1067404859.db2.gz YKYVWRSEXPHNMZ-GMAHTHKFSA-N 2 1 398.595 3.773 20 30 GHEDMP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000728571595 834789527 /nfs/dbraw/zinc/78/95/27/834789527.db2.gz GIRQFOLCRDGTDK-FQEVSTJZSA-N 2 1 384.568 3.682 20 30 GHEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1c(C#N)cnc2ccccc21 ZINC000431827393 837264282 /nfs/dbraw/zinc/26/42/82/837264282.db2.gz FAVMEAUDIUBGGH-UHFFFAOYSA-N 2 1 391.563 3.739 20 30 GHEDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000279383265 843032697 /nfs/dbraw/zinc/03/26/97/843032697.db2.gz KMPNIVRGKGITDR-UHFFFAOYSA-N 2 1 394.567 3.803 20 30 GHEDMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 ZINC000512265031 843264321 /nfs/dbraw/zinc/26/43/21/843264321.db2.gz XFSQFAXJOMFBAY-LRZVDXDASA-N 2 1 390.616 3.750 20 30 GHEDMP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000158858471 858413014 /nfs/dbraw/zinc/41/30/14/858413014.db2.gz ZWHJLBAPCJBKHI-PMACEKPBSA-N 2 1 388.600 3.694 20 30 GHEDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCC(=O)Nc1sccc1C#N ZINC000249280093 859127753 /nfs/dbraw/zinc/12/77/53/859127753.db2.gz KPJNBOGDQJINRP-LFUKPOHLSA-N 2 1 396.560 3.695 20 30 GHEDMP C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(CC)CC3)cc2)cc1 ZINC000765011114 859726096 /nfs/dbraw/zinc/72/60/96/859726096.db2.gz SKOWWVZCKWJBMU-NRFANRHFSA-N 2 1 391.559 3.687 20 30 GHEDMP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CC#Cc3ccc(F)cc3)C2)ccn1 ZINC000856603370 881578090 /nfs/dbraw/zinc/57/80/90/881578090.db2.gz IOXNUJMFSWXWAP-QHCPKHFHSA-N 2 1 381.495 3.566 20 30 GHEDMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CC#Cc3ccc(F)cc3)C2)ccn1 ZINC000856603370 881578098 /nfs/dbraw/zinc/57/80/98/881578098.db2.gz IOXNUJMFSWXWAP-QHCPKHFHSA-N 2 1 381.495 3.566 20 30 GHEDMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)ccn1 ZINC000856603370 881578110 /nfs/dbraw/zinc/57/81/10/881578110.db2.gz IOXNUJMFSWXWAP-QHCPKHFHSA-N 2 1 381.495 3.566 20 30 GHEDMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)ccn1 ZINC000856603370 881578119 /nfs/dbraw/zinc/57/81/19/881578119.db2.gz IOXNUJMFSWXWAP-QHCPKHFHSA-N 2 1 381.495 3.566 20 30 GHEDMP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cccc(C#N)c3F)C2)ccn1 ZINC000856603262 881578901 /nfs/dbraw/zinc/57/89/01/881578901.db2.gz FXMYAUYSBMWHOQ-OAQYLSRUSA-N 2 1 382.483 3.586 20 30 GHEDMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cccc(C#N)c3F)C2)ccn1 ZINC000856603262 881578917 /nfs/dbraw/zinc/57/89/17/881578917.db2.gz FXMYAUYSBMWHOQ-OAQYLSRUSA-N 2 1 382.483 3.586 20 30 GHEDMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cccc(C#N)c3F)C2)ccn1 ZINC000856603262 881578929 /nfs/dbraw/zinc/57/89/29/881578929.db2.gz FXMYAUYSBMWHOQ-OAQYLSRUSA-N 2 1 382.483 3.586 20 30 GHEDMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3F)C2)ccn1 ZINC000856603262 881578952 /nfs/dbraw/zinc/57/89/52/881578952.db2.gz FXMYAUYSBMWHOQ-OAQYLSRUSA-N 2 1 382.483 3.586 20 30 GHEDMP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534228895 866295831 /nfs/dbraw/zinc/29/58/31/866295831.db2.gz HQJCDWBFYSQASA-NRFANRHFSA-N 2 1 383.580 3.788 20 30 GHEDMP C[N@H+]1CC[C@@H](CNC(=[NH2+])NCCc2cccs2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000305711953 866628326 /nfs/dbraw/zinc/62/83/26/866628326.db2.gz YBXYQYMUUOMOOE-KBXCAEBGSA-N 2 1 394.947 3.680 20 30 GHEDMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)C[C@H](C)O1 ZINC000553025474 866643559 /nfs/dbraw/zinc/64/35/59/866643559.db2.gz AAJDJOAQRBBJCT-BGYRXZFFSA-N 2 1 399.579 3.578 20 30 GHEDMP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)C[C@H](C)O1 ZINC000553025474 866643566 /nfs/dbraw/zinc/64/35/66/866643566.db2.gz AAJDJOAQRBBJCT-BGYRXZFFSA-N 2 1 399.579 3.578 20 30 GHEDMP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000524156119 868624383 /nfs/dbraw/zinc/62/43/83/868624383.db2.gz KRVKOVRRUFKCLB-UHFFFAOYSA-N 2 1 384.568 3.602 20 30 GHEDMP CCOC(=O)N1CCC[C@@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169670976 871735202 /nfs/dbraw/zinc/73/52/02/871735202.db2.gz BFOAJTPUZRPJCK-YPAWHYETSA-N 2 1 398.551 3.641 20 30 GHEDMP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000478046307 872414509 /nfs/dbraw/zinc/41/45/09/872414509.db2.gz MIOKPGSHZCQDIG-RBUKOAKNSA-N 2 1 382.552 3.862 20 30 GHEDMP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000478046307 872414519 /nfs/dbraw/zinc/41/45/19/872414519.db2.gz MIOKPGSHZCQDIG-RBUKOAKNSA-N 2 1 382.552 3.862 20 30 GHEDMP C=CCOc1c(Cl)cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1OC ZINC000858136444 882871963 /nfs/dbraw/zinc/87/19/63/882871963.db2.gz SVRQFETYJBJZTQ-GOSISDBHSA-N 2 1 394.943 3.646 20 30 GHEDMP C[N@@H+](Cc1ccccc1C[NH2+]Cc1cnc2c(C#N)cnn2c1)C1CCCCC1 ZINC000550966577 882933817 /nfs/dbraw/zinc/93/38/17/882933817.db2.gz NZFRLOIKLTVJMT-UHFFFAOYSA-N 2 1 388.519 3.655 20 30 GHEDMP C=CCOc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1Cl ZINC000537662033 883059159 /nfs/dbraw/zinc/05/91/59/883059159.db2.gz XZJWLCBREWLCKL-IBGZPJMESA-N 2 1 377.960 3.505 20 30 GHEDMP C=CCOc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1Cl ZINC000537662033 883059175 /nfs/dbraw/zinc/05/91/75/883059175.db2.gz XZJWLCBREWLCKL-IBGZPJMESA-N 2 1 377.960 3.505 20 30 GHEDMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCCOc3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000477303574 877403875 /nfs/dbraw/zinc/40/38/75/877403875.db2.gz PLERVQCWNUAJBS-BGYRXZFFSA-N 2 1 385.552 3.538 20 30 GHEDMP C[C@@H](Cc1ccc(O)cc1)[NH+](C)CC#CC[N@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000551699457 877664028 /nfs/dbraw/zinc/66/40/28/877664028.db2.gz CJRFWPYTCYBWDE-PMACEKPBSA-N 2 1 380.532 3.527 20 30 GHEDMP C=C(C)COc1cc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)ccc1OC ZINC000057959753 881208205 /nfs/dbraw/zinc/20/82/05/881208205.db2.gz RONORIOUOMFNOC-UHFFFAOYSA-N 2 1 396.531 3.772 20 30 GHEDMP Cc1nccn1CCC[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000130765266 883680496 /nfs/dbraw/zinc/68/04/96/883680496.db2.gz MDZJVDTUIMKTPI-UHFFFAOYSA-N 2 1 396.539 3.557 20 30 GHEDMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000130765266 883680512 /nfs/dbraw/zinc/68/05/12/883680512.db2.gz MDZJVDTUIMKTPI-UHFFFAOYSA-N 2 1 396.539 3.557 20 30 GHEDMP COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1OCCCC#N ZINC000245686209 889225963 /nfs/dbraw/zinc/22/59/63/889225963.db2.gz AIKRRADRKLQLCD-PZJWPPBQSA-N 2 1 383.536 3.826 20 30 GHEDMP COc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1OCCCC#N ZINC000245686209 889225977 /nfs/dbraw/zinc/22/59/77/889225977.db2.gz AIKRRADRKLQLCD-PZJWPPBQSA-N 2 1 383.536 3.826 20 30 GHEDMP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1OCCCC#N ZINC000245686209 889225990 /nfs/dbraw/zinc/22/59/90/889225990.db2.gz AIKRRADRKLQLCD-PZJWPPBQSA-N 2 1 383.536 3.826 20 30 GHEDMP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1OCCCC#N ZINC000245686209 889226001 /nfs/dbraw/zinc/22/60/01/889226001.db2.gz AIKRRADRKLQLCD-PZJWPPBQSA-N 2 1 383.536 3.826 20 30 GHEDMP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000533271938 890138152 /nfs/dbraw/zinc/13/81/52/890138152.db2.gz OFFLBTWGRQEYOV-UHFFFAOYSA-N 2 1 380.536 3.790 20 30 GHEDMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000533271938 890138158 /nfs/dbraw/zinc/13/81/58/890138158.db2.gz OFFLBTWGRQEYOV-UHFFFAOYSA-N 2 1 380.536 3.790 20 30 GHEDMP CO[C@@H]1CC[NH+](Cc2cc(C#N)cc(C[N@@H+]3CC[C@H](OC)C[C@H]3C)c2)[C@@H](C)C1 ZINC000878554920 894381043 /nfs/dbraw/zinc/38/10/43/894381043.db2.gz MQDSYNZLIQMJDB-BRNYJPRKSA-N 2 1 385.552 3.557 20 30 GHEDMP CO[C@@H]1CC[N@@H+](Cc2cc(C#N)cc(C[NH+]3CC[C@H](OC)C[C@H]3C)c2)[C@@H](C)C1 ZINC000878554920 894381056 /nfs/dbraw/zinc/38/10/56/894381056.db2.gz MQDSYNZLIQMJDB-BRNYJPRKSA-N 2 1 385.552 3.557 20 30 GHEDMP COc1ccc(NC(=[NH2+])NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000104162897 904545905 /nfs/dbraw/zinc/54/59/05/904545905.db2.gz RKJRSOIOOKRBRU-QGZVFWFLSA-N 2 1 396.535 3.863 20 30 GHEDMP C=CCOC(=O)N1CCCC2(CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC001172113448 905363916 /nfs/dbraw/zinc/36/39/16/905363916.db2.gz IWYGFLLJBZKWNO-ACDBMABISA-N 2 1 375.557 3.502 20 30 GHEDMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccc(OCC#N)cc1 ZINC000181572910 907029997 /nfs/dbraw/zinc/02/99/97/907029997.db2.gz ZXZBHPMTHGRFFP-OALUTQOASA-N 2 1 379.504 3.660 20 30 GHEDMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccc(OCC#N)cc1 ZINC000181572910 907030017 /nfs/dbraw/zinc/03/00/17/907030017.db2.gz ZXZBHPMTHGRFFP-OALUTQOASA-N 2 1 379.504 3.660 20 30 GHEDMP CC(C)[NH+]1CCN(C2CC[NH+](CC#Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000270984047 910748748 /nfs/dbraw/zinc/74/87/48/910748748.db2.gz XPQCYCNPCSUXFK-UHFFFAOYSA-N 2 1 393.497 3.547 20 30 GHEDMP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000303906172 915306833 /nfs/dbraw/zinc/30/68/33/915306833.db2.gz ZTJKWLSNHHDEEY-KRWDZBQOSA-N 2 1 396.535 3.657 20 30 GHEDMP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000303906172 915306852 /nfs/dbraw/zinc/30/68/52/915306852.db2.gz ZTJKWLSNHHDEEY-KRWDZBQOSA-N 2 1 396.535 3.657 20 30 GHEDMP C=CCOc1c(Br)cc(C[N@H+](C)C2CC[NH2+]CC2)cc1OCC ZINC000470017910 930318853 /nfs/dbraw/zinc/31/88/53/930318853.db2.gz LMDZQDSJMSOGGI-UHFFFAOYSA-N 2 1 383.330 3.596 20 30 GHEDMP C=CCOc1c(Br)cc(C[N@@H+](C)C2CC[NH2+]CC2)cc1OCC ZINC000470017910 930318859 /nfs/dbraw/zinc/31/88/59/930318859.db2.gz LMDZQDSJMSOGGI-UHFFFAOYSA-N 2 1 383.330 3.596 20 30 GHEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)CC1 ZINC000557273762 931315013 /nfs/dbraw/zinc/31/50/13/931315013.db2.gz SNVKMJWBPHFQIP-UHFFFAOYSA-N 2 1 398.595 3.678 20 30 GHEDMP N#Cc1c(Cl)ccnc1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001155357496 1032516449 /nfs/dbraw/zinc/51/64/49/1032516449.db2.gz GCPKACHWOKSLTK-SFHVURJKSA-N 2 1 395.938 3.520 20 30 GHEDMP C[N@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1ccc(F)cc1C#N)CC2 ZINC001141166101 1023995980 /nfs/dbraw/zinc/99/59/80/1023995980.db2.gz VMOIGCLKNQEDCY-UHFFFAOYSA-N 2 1 378.495 3.969 20 30 GHEDMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1ccc(F)cc1C#N)CC2 ZINC001141166101 1023995983 /nfs/dbraw/zinc/99/59/83/1023995983.db2.gz VMOIGCLKNQEDCY-UHFFFAOYSA-N 2 1 378.495 3.969 20 30 GHEDMP N#Cc1ccc(CC[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)cc1 ZINC001222573775 1030205308 /nfs/dbraw/zinc/20/53/08/1030205308.db2.gz DQIKNCMFPTZEJI-DEOSSOPVSA-N 2 1 389.543 3.904 20 30 GHEDMP C=CC[N@H+]1CCc2c(Cl)c(O[C@@H]3C[NH2+][C@@H]3C)c(O)cc2[C@@H](c2ccccc2)C1 ZINC001218393746 1030917899 /nfs/dbraw/zinc/91/78/99/1030917899.db2.gz VWSBYBKDTLFIQN-QFIXIFRTSA-N 2 1 398.934 3.961 20 30 GHEDMP N#Cc1ccc(Br)cc1C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001206755589 1033970080 /nfs/dbraw/zinc/97/00/80/1033970080.db2.gz NLQMELQSBLNVIQ-UHFFFAOYSA-N 2 1 384.321 3.813 20 30 GHEDMP N#Cc1c2c(sc1N=C1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C[NH2+]CC2 ZINC001159159393 1034458597 /nfs/dbraw/zinc/45/85/97/1034458597.db2.gz HBDAZCOYRBSPEW-MSOLQXFVSA-N 2 1 376.529 3.998 20 30 GHEDMP N#Cc1cnc(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)c2cc(-c3ccccc3)sc21 ZINC001160513051 1034992768 /nfs/dbraw/zinc/99/27/68/1034992768.db2.gz JIPRPWRAKQRGDH-JOCHJYFZSA-N 2 1 389.528 3.670 20 30 GHEDMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+]([C@@H](C)Cc1cccc(C#N)c1)CC2 ZINC001246631015 1037518208 /nfs/dbraw/zinc/51/82/08/1037518208.db2.gz NLPGNWHGNSGFGZ-SFHVURJKSA-N 2 1 375.516 3.635 20 30 GHEDMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+]([C@H](C)Cc1cccc(C#N)c1)CC2 ZINC001246631013 1037519445 /nfs/dbraw/zinc/51/94/45/1037519445.db2.gz NLPGNWHGNSGFGZ-GOSISDBHSA-N 2 1 375.516 3.635 20 30 GHEDMP CCOC(=O)[C@H]1CCC[C@@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255348161 1040954160 /nfs/dbraw/zinc/95/41/60/1040954160.db2.gz BNMVDNYLQLTZRU-MYGLTJDJSA-N 2 1 383.536 3.752 20 30 GHEDMP C=CCOC(=O)N1CCC2(C[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)C2)CC1 ZINC001255399425 1040984583 /nfs/dbraw/zinc/98/45/83/1040984583.db2.gz RRIUSJXMVTYGCU-QFIPXVFZSA-N 2 1 397.563 3.762 20 30 GHEDMP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001255959881 1041438308 /nfs/dbraw/zinc/43/83/08/1041438308.db2.gz BGWPAMATYGWBJV-QPPBQGQZSA-N 2 1 398.595 3.597 20 30 GHEDMP C[C@@H]1C[C@@H]([NH+]2CCCN(c3ccc(C#N)cn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256553161 1043520939 /nfs/dbraw/zinc/52/09/39/1043520939.db2.gz GCXJHBQXFWDHAG-OFNKIYASSA-N 2 1 389.547 3.518 20 30 GHEDMP C[C@@H]1C[C@@H]([NH+]2CCCN(c3ccc(C#N)cn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256553161 1043520948 /nfs/dbraw/zinc/52/09/48/1043520948.db2.gz GCXJHBQXFWDHAG-OFNKIYASSA-N 2 1 389.547 3.518 20 30 GHEDMP C[C@@H]1C[C@@H]([N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)CC[NH+]1Cc1ccccc1 ZINC001256553161 1043520959 /nfs/dbraw/zinc/52/09/59/1043520959.db2.gz GCXJHBQXFWDHAG-OFNKIYASSA-N 2 1 389.547 3.518 20 30 GHEDMP C[C@@H]1C[C@@H]([N@H+]2CCCN(c3ccc(C#N)cn3)CC2)CC[NH+]1Cc1ccccc1 ZINC001256553161 1043520973 /nfs/dbraw/zinc/52/09/73/1043520973.db2.gz GCXJHBQXFWDHAG-OFNKIYASSA-N 2 1 389.547 3.518 20 30 GHEDMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C[C@H]2C1 ZINC001335133620 1052041206 /nfs/dbraw/zinc/04/12/06/1052041206.db2.gz KFUKRFOBYYQTGR-KCZVDYSFSA-N 2 1 377.536 3.626 20 30 GHEDMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC001325872171 1057377354 /nfs/dbraw/zinc/37/73/54/1057377354.db2.gz UBELIXIVMNMOEB-SFHVURJKSA-N 2 1 376.504 3.702 20 30 GHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@H](C(=O)OCC)[C@H](C(F)(F)F)C2)CC1 ZINC000892880856 839309907 /nfs/dbraw/zinc/30/99/07/839309907.db2.gz MHLDAFQTASWOIC-IXDOHACOSA-N 2 1 376.463 3.527 20 30 GHEDMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CCCO1 ZINC000432359162 842166947 /nfs/dbraw/zinc/16/69/47/842166947.db2.gz PCGCSGINJHNAGV-HXUWFJFHSA-N 2 1 393.531 3.728 20 30 GHEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000478054772 846930360 /nfs/dbraw/zinc/93/03/60/846930360.db2.gz SFVAFNGXVCCOBB-IBGZPJMESA-N 2 1 382.552 3.863 20 30 GHEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000151171380 847108514 /nfs/dbraw/zinc/10/85/14/847108514.db2.gz LOKSCHPFUFWZNM-IBGZPJMESA-N 2 1 382.552 3.863 20 30 GHEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CC1 ZINC000152936574 847937697 /nfs/dbraw/zinc/93/76/97/847937697.db2.gz FOVAPFXRRGVIGK-UHFFFAOYSA-N 2 1 375.944 3.575 20 30 GHEDMP COc1cc(C[NH+]2CCC[C@H](CC#N)C2)cc(C[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595623297 858620865 /nfs/dbraw/zinc/62/08/65/858620865.db2.gz LZXYMVAREIZYIO-BGYRXZFFSA-N 2 1 380.536 3.947 20 30 GHEDMP COc1cc(C[NH+]2CCC[C@@H](CC#N)C2)cc(C[N@@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595623297 858620870 /nfs/dbraw/zinc/62/08/70/858620870.db2.gz LZXYMVAREIZYIO-BGYRXZFFSA-N 2 1 380.536 3.947 20 30 GHEDMP COc1cc(C[NH+]2CCC[C@@H](CC#N)C2)cc(C[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595623297 858620876 /nfs/dbraw/zinc/62/08/76/858620876.db2.gz LZXYMVAREIZYIO-BGYRXZFFSA-N 2 1 380.536 3.947 20 30 GHEDMP C[N@@H+](C1CCOCC1)C1CC[NH+](C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170389247 881503406 /nfs/dbraw/zinc/50/34/06/881503406.db2.gz OGSNYPCTXMGCAU-UHFFFAOYSA-N 2 1 381.564 3.966 20 30 GHEDMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccccc3C(C)(C)C#N)C2)ccn1 ZINC000856588677 881560077 /nfs/dbraw/zinc/56/00/77/881560077.db2.gz BHJHOVBMWATDNK-JOCHJYFZSA-N 2 1 392.547 3.988 20 30 GHEDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccccc3C(C)(C)C#N)C2)ccn1 ZINC000856588677 881560088 /nfs/dbraw/zinc/56/00/88/881560088.db2.gz BHJHOVBMWATDNK-JOCHJYFZSA-N 2 1 392.547 3.988 20 30 GHEDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccccc3C(C)(C)C#N)C2)ccn1 ZINC000856588677 881560098 /nfs/dbraw/zinc/56/00/98/881560098.db2.gz BHJHOVBMWATDNK-JOCHJYFZSA-N 2 1 392.547 3.988 20 30 GHEDMP C#CCOc1ccc(Br)cc1C[NH2+]CCCCn1cc[nH+]c1C ZINC000174452878 865809339 /nfs/dbraw/zinc/80/93/39/865809339.db2.gz IJBUABQRERJACE-UHFFFAOYSA-N 2 1 376.298 3.536 20 30 GHEDMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1)CC(C)C ZINC000539100224 871317046 /nfs/dbraw/zinc/31/70/46/871317046.db2.gz TZNSEEMAXHKFLE-FQEVSTJZSA-N 2 1 390.616 3.798 20 30 GHEDMP C[N@@H+](CCOc1cccc(C[NH2+]C2CCC(C)(C#N)CC2)c1)C1CCOCC1 ZINC000449116849 874499783 /nfs/dbraw/zinc/49/97/83/874499783.db2.gz MMTPJESZKNNWOL-UHFFFAOYSA-N 2 1 385.552 3.738 20 30 GHEDMP CC(C)O[C@@H]1CC[NH+](Cc2cc(C#N)cc(C[N@@H+]3CC[C@@H](OC(C)C)C3)c2)C1 ZINC000878755216 894581562 /nfs/dbraw/zinc/58/15/62/894581562.db2.gz GEDHIHBTDMOVFJ-DHIUTWEWSA-N 2 1 385.552 3.557 20 30 GHEDMP C=CCCCCCNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000577290479 902652560 /nfs/dbraw/zinc/65/25/60/902652560.db2.gz OTQLLVDDCLDMNN-UHFFFAOYSA-N 2 1 378.605 3.571 20 30 GHEDMP C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)C1 ZINC001171628653 904851379 /nfs/dbraw/zinc/85/13/79/904851379.db2.gz FHFFGUDKXMXBQY-QFIPXVFZSA-N 2 1 377.573 3.748 20 30 GHEDMP C=CCOC(=O)N[C@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172090933 905310112 /nfs/dbraw/zinc/31/01/12/905310112.db2.gz XXBGVNJVZAFPAC-MYDTUXCISA-N 2 1 397.563 3.949 20 30 GHEDMP C=CCOC(=O)N[C@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172090933 905310131 /nfs/dbraw/zinc/31/01/31/905310131.db2.gz XXBGVNJVZAFPAC-MYDTUXCISA-N 2 1 397.563 3.949 20 30 GHEDMP C=CCOC(=O)N[C@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172090933 905310147 /nfs/dbraw/zinc/31/01/47/905310147.db2.gz XXBGVNJVZAFPAC-MYDTUXCISA-N 2 1 397.563 3.949 20 30 GHEDMP C=CCOC(=O)N[C@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172090933 905310167 /nfs/dbraw/zinc/31/01/67/905310167.db2.gz XXBGVNJVZAFPAC-MYDTUXCISA-N 2 1 397.563 3.949 20 30 GHEDMP COC(=O)[C@H]1CCC[C@@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172780851 905820745 /nfs/dbraw/zinc/82/07/45/905820745.db2.gz KQXQBHNQMAUELL-KJJMTIBFSA-N 2 1 383.536 3.752 20 30 GHEDMP CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)C[C@H]1C#N ZINC001172986555 906051612 /nfs/dbraw/zinc/05/16/12/906051612.db2.gz XKJWLOFTHORNRX-ZCNNSNEGSA-N 2 1 390.572 3.618 20 30 GHEDMP CC(C)(C)OC(=O)N1CC[C@@H]([N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)C[C@H]1C#N ZINC001172986555 906051626 /nfs/dbraw/zinc/05/16/26/906051626.db2.gz XKJWLOFTHORNRX-ZCNNSNEGSA-N 2 1 390.572 3.618 20 30 GHEDMP CC[NH+](CC)C1CCC([N@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)CC1 ZINC001173111979 906200496 /nfs/dbraw/zinc/20/04/96/906200496.db2.gz OLYMUAJINJODGO-VUNKPPBISA-N 2 1 394.563 3.640 20 30 GHEDMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](C4CCC(C)(C#N)CC4)CC3)C2)c1 ZINC001173595696 906549360 /nfs/dbraw/zinc/54/93/60/906549360.db2.gz UDTGXDQJWFYHSW-UHFFFAOYSA-N 2 1 397.563 3.834 20 30 GHEDMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](C4CCC(C)(C#N)CC4)CC3)C2)c1 ZINC001173595696 906549368 /nfs/dbraw/zinc/54/93/68/906549368.db2.gz UDTGXDQJWFYHSW-UHFFFAOYSA-N 2 1 397.563 3.834 20 30 GHEDMP CCCCC[N@@H+](C)CCC(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001181868658 911049921 /nfs/dbraw/zinc/04/99/21/911049921.db2.gz MBJKZFDXFSFDDO-HZCBDIJESA-N 2 1 384.568 3.669 20 30 GHEDMP CC[NH+](CC)[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000303782182 915126134 /nfs/dbraw/zinc/12/61/34/915126134.db2.gz MUWSXDNJTDWMRO-IBGZPJMESA-N 2 1 382.508 3.658 20 30 GHEDMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])NCC2CCC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000304764532 915700365 /nfs/dbraw/zinc/70/03/65/915700365.db2.gz YCEURCSWMFIORJ-FUHWJXTLSA-N 2 1 382.474 3.793 20 30 GHEDMP COc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1C#N ZINC000781422969 930838206 /nfs/dbraw/zinc/83/82/06/930838206.db2.gz OEGGGXQWMRGIAC-MDNUFGMLSA-N 2 1 375.516 3.957 20 30 GHEDMP C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000926101462 932044889 /nfs/dbraw/zinc/04/48/89/932044889.db2.gz NFCYNQGBYKVKNO-OYRHEFFESA-N 2 1 396.579 3.971 20 30 GHEDMP Cn1cc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000798499554 932674609 /nfs/dbraw/zinc/67/46/09/932674609.db2.gz ZPYKOTITGDLJBV-VWLOTQADSA-N 2 1 399.542 3.961 20 30 GHEDMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)cc1 ZINC001204271168 1032714477 /nfs/dbraw/zinc/71/44/77/1032714477.db2.gz HHMNBPBISXJENM-DEOSSOPVSA-N 2 1 393.531 3.932 20 30 GHEDMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(F)cc(C#N)c1)CC2 ZINC001139876846 1026693716 /nfs/dbraw/zinc/69/37/16/1026693716.db2.gz NZCSHEILTBGOLF-QHCPKHFHSA-N 2 1 393.506 3.953 20 30 GHEDMP CSc1nc(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)ccc1C#N ZINC001141943582 1027721337 /nfs/dbraw/zinc/72/13/37/1027721337.db2.gz AUQIELGRNKTUCJ-UHFFFAOYSA-N 2 1 378.545 3.773 20 30 GHEDMP C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001207289860 1034240116 /nfs/dbraw/zinc/24/01/16/1034240116.db2.gz XYGFCWQHTYHUPE-RPBOFIJWSA-N 2 1 398.591 3.972 20 30 GHEDMP CN(CCC#N)c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001231817723 1034927071 /nfs/dbraw/zinc/92/70/71/1034927071.db2.gz NERYNCLKAQRCKY-PMACEKPBSA-N 2 1 380.561 3.662 20 30 GHEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1cc(F)cc(C[NH+](C)C)c1)[C@@H]2CC ZINC001232149701 1035127809 /nfs/dbraw/zinc/12/78/09/1035127809.db2.gz XXFZLJUHPQFCNL-GGAORHGYSA-N 2 1 387.543 3.809 20 30 GHEDMP CCCCCCCCCCCCOCCOC[C@H](O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC001246042571 1037157119 /nfs/dbraw/zinc/15/71/19/1037157119.db2.gz CMHNTRJYYFDYNW-FGZHOGPDSA-N 2 1 386.621 3.582 20 30 GHEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H](C)CCc1c(F)cc(Cl)cc1F ZINC001246302625 1037284932 /nfs/dbraw/zinc/28/49/32/1037284932.db2.gz DPWNJZULUBZKGQ-UGSOOPFHSA-N 2 1 388.886 3.756 20 30 GHEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246306300 1037286489 /nfs/dbraw/zinc/28/64/89/1037286489.db2.gz VHDRDFIPPYKEIR-YJBOKZPZSA-N 2 1 385.335 3.667 20 30 GHEDMP C=CCOC(=O)N1CCC2(CCC[N@H+]([C@@H]3CC[NH2+]C4(CCCCC4)C3)C2)CC1 ZINC001246524495 1037454908 /nfs/dbraw/zinc/45/49/08/1037454908.db2.gz FIGCSMYVOFBNSQ-HXUWFJFHSA-N 2 1 389.584 3.942 20 30 GHEDMP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(C#N)cc1O)CC2 ZINC001233384958 1039212165 /nfs/dbraw/zinc/21/21/65/1039212165.db2.gz OUPRBWARNCBKID-JOCHJYFZSA-N 2 1 391.515 3.519 20 30 GHEDMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(C#N)cc1O)CC2 ZINC001233384958 1039212174 /nfs/dbraw/zinc/21/21/74/1039212174.db2.gz OUPRBWARNCBKID-JOCHJYFZSA-N 2 1 391.515 3.519 20 30 GHEDMP N#Cc1ccc(Oc2ccc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)cn2)cc1 ZINC001235426405 1040927813 /nfs/dbraw/zinc/92/78/13/1040927813.db2.gz KUERMKCCFIFJNM-LEWJYISDSA-N 2 1 376.504 3.957 20 30 GHEDMP N#CC1(c2ccc(Br)cc2)CC[NH+](CC[C@H]2CCCC[NH2+]2)CC1 ZINC001235758378 1041247381 /nfs/dbraw/zinc/24/73/81/1041247381.db2.gz FIQBDGUMNFBAJV-GOSISDBHSA-N 2 1 376.342 3.838 20 30 GHEDMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1CCC(Oc2ccc(C#N)c(Cl)c2)CC1 ZINC001235968560 1041473255 /nfs/dbraw/zinc/47/32/55/1041473255.db2.gz IRJSSSWUYNNORM-CXAGYDPISA-N 2 1 383.870 3.546 20 30 GHEDMP C=CCc1cccc(C[N@@H+](Cc2cccc(C(=O)OC)c2)C2CC[NH2+]CC2)c1O ZINC001236465923 1041728207 /nfs/dbraw/zinc/72/82/07/1041728207.db2.gz VRXFOCDDMPLCKJ-UHFFFAOYSA-N 2 1 394.515 3.662 20 30 GHEDMP C=CCc1cccc(C[N@H+](Cc2cccc(C(=O)OC)c2)C2CC[NH2+]CC2)c1O ZINC001236465923 1041728214 /nfs/dbraw/zinc/72/82/14/1041728214.db2.gz VRXFOCDDMPLCKJ-UHFFFAOYSA-N 2 1 394.515 3.662 20 30 GHEDMP COc1ccc(C[N@@H+](Cc2ccc(OC)cc2C#N)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236545059 1041757195 /nfs/dbraw/zinc/75/71/95/1041757195.db2.gz ZTZJXYQUHOIZOX-MEMLXQNLSA-N 2 1 379.504 3.848 20 30 GHEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[NH+]([C@@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256552003 1043515672 /nfs/dbraw/zinc/51/56/72/1043515672.db2.gz WTKIGOBMLMFCGC-KELGSRBJSA-N 2 1 384.564 3.866 20 30 GHEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[NH+]([C@@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256552003 1043515685 /nfs/dbraw/zinc/51/56/85/1043515685.db2.gz WTKIGOBMLMFCGC-KELGSRBJSA-N 2 1 384.564 3.866 20 30 GHEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H]1CC[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256552003 1043515697 /nfs/dbraw/zinc/51/56/97/1043515697.db2.gz WTKIGOBMLMFCGC-KELGSRBJSA-N 2 1 384.564 3.866 20 30 GHEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H]1CC[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256552003 1043515707 /nfs/dbraw/zinc/51/57/07/1043515707.db2.gz WTKIGOBMLMFCGC-KELGSRBJSA-N 2 1 384.564 3.866 20 30 GHEDMP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](C1CCC(C#N)CC1)CC2 ZINC001256967044 1043777162 /nfs/dbraw/zinc/77/71/62/1043777162.db2.gz TWFDMUOYCSQVPB-ACBHZAAOSA-N 2 1 388.581 3.528 20 30 GHEDMP C[NH+]1CCC(C[NH+]2CCN(C3CCC(c4ccc(C#N)cc4)CC3)CC2)CC1 ZINC001257022245 1043807660 /nfs/dbraw/zinc/80/76/60/1043807660.db2.gz IYYYGRXIHJOGCR-UHFFFAOYSA-N 2 1 380.580 3.544 20 30 GHEDMP N#Cc1ccccc1OCCN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001459653150 1064155038 /nfs/dbraw/zinc/15/50/38/1064155038.db2.gz HCBWIELHQGNDHY-XZOQPEGZSA-N 2 1 375.516 3.924 20 30 GHEDMP N#Cc1cccc(OCC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC001459653243 1064155774 /nfs/dbraw/zinc/15/57/74/1064155774.db2.gz HKSVTBANHXEBLI-LADGPHEKSA-N 2 1 375.516 3.924 20 30 GHEDMP N#Cc1cccc(OCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC001459653243 1064155779 /nfs/dbraw/zinc/15/57/79/1064155779.db2.gz HKSVTBANHXEBLI-LADGPHEKSA-N 2 1 375.516 3.924 20 30 GHEDMP N#Cc1cccc(OCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC001459653243 1064155785 /nfs/dbraw/zinc/15/57/85/1064155785.db2.gz HKSVTBANHXEBLI-LADGPHEKSA-N 2 1 375.516 3.924 20 30 GHEDMP N#Cc1cccc(OCC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC001459653243 1064155789 /nfs/dbraw/zinc/15/57/89/1064155789.db2.gz HKSVTBANHXEBLI-LADGPHEKSA-N 2 1 375.516 3.924 20 30 GHEDMP CCCC[N@@H+](C[C@@H](O)COc1ccccc1C#N)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001473683255 1074085133 /nfs/dbraw/zinc/08/51/33/1074085133.db2.gz MMFGSJREOGVXFQ-HXUWFJFHSA-N 2 1 387.568 3.709 20 30 GHEDMP C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000159252702 835782985 /nfs/dbraw/zinc/78/29/85/835782985.db2.gz OWOFAFXHMPEPRT-OFNKIYASSA-N 2 1 398.595 3.721 20 30 GHEDMP [NH2+]=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1ccccc1OC(F)(F)F ZINC000160604795 840039584 /nfs/dbraw/zinc/03/95/84/840039584.db2.gz NUEVFGCLSSYLGP-AWEZNQCLSA-N 2 1 382.386 3.742 20 30 GHEDMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000156932147 840916698 /nfs/dbraw/zinc/91/66/98/840916698.db2.gz UWRPZWKLWBBNDE-XXBNENTESA-N 2 1 390.531 3.872 20 30 GHEDMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000156932147 840916714 /nfs/dbraw/zinc/91/67/14/840916714.db2.gz UWRPZWKLWBBNDE-XXBNENTESA-N 2 1 390.531 3.872 20 30 GHEDMP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccc(C#N)cc2)CC[NH+]1Cc1ccccc1 ZINC000156932147 840916719 /nfs/dbraw/zinc/91/67/19/840916719.db2.gz UWRPZWKLWBBNDE-XXBNENTESA-N 2 1 390.531 3.872 20 30 GHEDMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(C#N)cc2)CC[NH+]1Cc1ccccc1 ZINC000156932147 840916730 /nfs/dbraw/zinc/91/67/30/840916730.db2.gz UWRPZWKLWBBNDE-XXBNENTESA-N 2 1 390.531 3.872 20 30 GHEDMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000277096732 844618810 /nfs/dbraw/zinc/61/88/10/844618810.db2.gz GFVOWNWPKKAUSZ-GOSISDBHSA-N 2 1 399.514 3.632 20 30 GHEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000277096732 844618816 /nfs/dbraw/zinc/61/88/16/844618816.db2.gz GFVOWNWPKKAUSZ-GOSISDBHSA-N 2 1 399.514 3.632 20 30 GHEDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000057844132 855738530 /nfs/dbraw/zinc/73/85/30/855738530.db2.gz RQNBSIKRVQBJNT-UHFFFAOYSA-N 2 1 390.531 3.731 20 30 GHEDMP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000595066808 858369712 /nfs/dbraw/zinc/36/97/12/858369712.db2.gz FGLUBOWJUYRWKP-UPVQGACJSA-N 2 1 375.516 3.682 20 30 GHEDMP CCC[NH+]1CCC(Nc2cc(C)[nH+]c(NC3CC[NH+](CCC)CC3)c2C#N)CC1 ZINC000596061741 858768255 /nfs/dbraw/zinc/76/82/55/858768255.db2.gz JMGVPEWBKZWPMG-UHFFFAOYSA-N 3 1 398.599 3.834 20 30 GHEDMP CC(C)(C)OC(=O)C1([NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCC([NH3+])CC1 ZINC001170359067 881413476 /nfs/dbraw/zinc/41/34/76/881413476.db2.gz NOVCAMYUWYCKIO-UHFFFAOYSA-N 2 1 397.563 3.962 20 30 GHEDMP CC[NH+](CC)[C@@H](CNC(=[NH2+])Nc1ccccn1)c1ccc(C(F)(F)F)cc1 ZINC000170911548 860970266 /nfs/dbraw/zinc/97/02/66/860970266.db2.gz FQNBDIMQOXIIAF-INIZCTEOSA-N 2 1 379.430 3.910 20 30 GHEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000478031266 872380787 /nfs/dbraw/zinc/38/07/87/872380787.db2.gz GAZUBTBQXFSBOY-LJQANCHMSA-N 2 1 382.552 3.863 20 30 GHEDMP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000619508438 872694429 /nfs/dbraw/zinc/69/44/29/872694429.db2.gz WJSIRSRDSSUURA-DNQXCXABSA-N 2 1 375.516 3.552 20 30 GHEDMP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000619508438 872694435 /nfs/dbraw/zinc/69/44/35/872694435.db2.gz WJSIRSRDSSUURA-DNQXCXABSA-N 2 1 375.516 3.552 20 30 GHEDMP C=CCOc1cccc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000536664954 893481809 /nfs/dbraw/zinc/48/18/09/893481809.db2.gz ZCJIXJOPIVRQBM-UHFFFAOYSA-N 2 1 385.596 3.880 20 30 GHEDMP C=CCOc1cccc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000536664954 893481813 /nfs/dbraw/zinc/48/18/13/893481813.db2.gz ZCJIXJOPIVRQBM-UHFFFAOYSA-N 3 1 385.596 3.880 20 30 GHEDMP C=CCOc1cccc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000536664954 893481819 /nfs/dbraw/zinc/48/18/19/893481819.db2.gz ZCJIXJOPIVRQBM-UHFFFAOYSA-N 3 1 385.596 3.880 20 30 GHEDMP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000571468836 899878092 /nfs/dbraw/zinc/87/80/92/899878092.db2.gz SMMKHLMPXYNCTM-ISKFKSNPSA-N 2 1 375.516 3.682 20 30 GHEDMP C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000121661919 901652924 /nfs/dbraw/zinc/65/29/24/901652924.db2.gz BIKPMXZXOSLGMJ-KRWDZBQOSA-N 2 1 388.581 3.683 20 30 GHEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCN(c3sccc3C#N)C2=O)cc1 ZINC000577159683 902550732 /nfs/dbraw/zinc/55/07/32/902550732.db2.gz NMTURNGCIFNWFN-KUHUBIRLSA-N 2 1 391.500 3.570 20 30 GHEDMP COc1ccc(NC(=[NH2+])NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)cc1OC ZINC000104162901 904546407 /nfs/dbraw/zinc/54/64/07/904546407.db2.gz RKJRSOIOOKRBRU-KRWDZBQOSA-N 2 1 396.535 3.863 20 30 GHEDMP COC(=O)[C@@H]1CCC[C@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172780855 905820614 /nfs/dbraw/zinc/82/06/14/905820614.db2.gz KQXQBHNQMAUELL-YUMYIRISSA-N 2 1 383.536 3.752 20 30 GHEDMP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C[C@H]1C#N ZINC001172969040 906030644 /nfs/dbraw/zinc/03/06/44/906030644.db2.gz VGFBZTVCZIAQCR-SFTDATJTSA-N 2 1 398.551 3.532 20 30 GHEDMP CC[N@H+]1CC[C@@H](NC(=[NH2+])c2cc3ccc(OC(=O)c4cccs4)cc3s2)C1 ZINC001173356083 906393274 /nfs/dbraw/zinc/39/32/74/906393274.db2.gz ASPJFPIHPGPFEG-CQSZACIVSA-N 2 1 399.541 3.982 20 30 GHEDMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173434820 906470279 /nfs/dbraw/zinc/47/02/79/906470279.db2.gz QZHQMXIXAIYMEC-GOTSBHOMSA-N 2 1 394.563 3.502 20 30 GHEDMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173434820 906470282 /nfs/dbraw/zinc/47/02/82/906470282.db2.gz QZHQMXIXAIYMEC-GOTSBHOMSA-N 2 1 394.563 3.502 20 30 GHEDMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173434820 906470290 /nfs/dbraw/zinc/47/02/90/906470290.db2.gz QZHQMXIXAIYMEC-GOTSBHOMSA-N 2 1 394.563 3.502 20 30 GHEDMP COc1cc(C#N)ccc1OCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000303769479 915114176 /nfs/dbraw/zinc/11/41/76/915114176.db2.gz BKODDLWCAIRMCT-UGKGYDQZSA-N 2 1 393.531 3.931 20 30 GHEDMP COc1cc(C#N)ccc1OCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000303769479 915114184 /nfs/dbraw/zinc/11/41/84/915114184.db2.gz BKODDLWCAIRMCT-UGKGYDQZSA-N 2 1 393.531 3.931 20 30 GHEDMP COc1cc(C#N)ccc1OCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000303769479 915114191 /nfs/dbraw/zinc/11/41/91/915114191.db2.gz BKODDLWCAIRMCT-UGKGYDQZSA-N 2 1 393.531 3.931 20 30 GHEDMP COc1cc(C#N)ccc1OCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000303769479 915114195 /nfs/dbraw/zinc/11/41/95/915114195.db2.gz BKODDLWCAIRMCT-UGKGYDQZSA-N 2 1 393.531 3.931 20 30 GHEDMP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H](c2ccc(C)cc2)[NH+](C)C)c1 ZINC000303863311 915222774 /nfs/dbraw/zinc/22/27/74/915222774.db2.gz AFQFHYAUYQZSDK-HXUWFJFHSA-N 2 1 384.524 3.822 20 30 GHEDMP CC(C)c1cccc(NC(=[NH2+])NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c1 ZINC000303865850 915223799 /nfs/dbraw/zinc/22/37/99/915223799.db2.gz BUUAYYVDSYOVIV-GOSISDBHSA-N 2 1 380.536 3.958 20 30 GHEDMP CC(C)c1cccc(NC(=[NH2+])NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c1 ZINC000303865850 915223815 /nfs/dbraw/zinc/22/38/15/915223815.db2.gz BUUAYYVDSYOVIV-GOSISDBHSA-N 2 1 380.536 3.958 20 30 GHEDMP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000303906174 915307687 /nfs/dbraw/zinc/30/76/87/915307687.db2.gz ZTJKWLSNHHDEEY-QGZVFWFLSA-N 2 1 396.535 3.657 20 30 GHEDMP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000303906174 915307707 /nfs/dbraw/zinc/30/77/07/915307707.db2.gz ZTJKWLSNHHDEEY-QGZVFWFLSA-N 2 1 396.535 3.657 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000363371293 918164913 /nfs/dbraw/zinc/16/49/13/918164913.db2.gz DXTBMYSPUQVHQB-JKSUJKDBSA-N 2 1 395.341 3.739 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000363371293 918164924 /nfs/dbraw/zinc/16/49/24/918164924.db2.gz DXTBMYSPUQVHQB-JKSUJKDBSA-N 2 1 395.341 3.739 20 30 GHEDMP C[C@H](C#N)Oc1ccc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000374282169 926974609 /nfs/dbraw/zinc/97/46/09/926974609.db2.gz CROAHASNGHFHSZ-HXUWFJFHSA-N 2 1 398.595 3.606 20 30 GHEDMP C[C@H](C#N)Oc1ccc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000374282169 926974613 /nfs/dbraw/zinc/97/46/13/926974613.db2.gz CROAHASNGHFHSZ-HXUWFJFHSA-N 3 1 398.595 3.606 20 30 GHEDMP C[C@H](C#N)Oc1ccc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000374282169 926974618 /nfs/dbraw/zinc/97/46/18/926974618.db2.gz CROAHASNGHFHSZ-HXUWFJFHSA-N 3 1 398.595 3.606 20 30 GHEDMP C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@@H]1CCCC[N@@H+]1C(C)C ZINC000412987596 928075917 /nfs/dbraw/zinc/07/59/17/928075917.db2.gz KKYQZRONEMJNMF-IBGZPJMESA-N 2 1 391.629 3.848 20 30 GHEDMP COc1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c(C#N)c1 ZINC001137706914 935736858 /nfs/dbraw/zinc/73/68/58/935736858.db2.gz WKIGGQLJPCNWIP-FCHUYYIVSA-N 2 1 375.516 3.911 20 30 GHEDMP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(F)cc1C#N)CC2 ZINC001141165644 1023995553 /nfs/dbraw/zinc/99/55/53/1023995553.db2.gz FIQJBLNUPYNIGT-QHCPKHFHSA-N 2 1 393.506 3.953 20 30 GHEDMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(F)cc1C#N)CC2 ZINC001141165644 1023995556 /nfs/dbraw/zinc/99/55/56/1023995556.db2.gz FIQJBLNUPYNIGT-QHCPKHFHSA-N 2 1 393.506 3.953 20 30 GHEDMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@@H]21 ZINC001140137644 1026911596 /nfs/dbraw/zinc/91/15/96/1026911596.db2.gz QPRWVWDDNABGFU-RZFNWQHOSA-N 2 1 378.495 3.825 20 30 GHEDMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3F)C[C@@H]21 ZINC001140137644 1026911597 /nfs/dbraw/zinc/91/15/97/1026911597.db2.gz QPRWVWDDNABGFU-RZFNWQHOSA-N 2 1 378.495 3.825 20 30 GHEDMP N#Cc1ccc(C[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)cc1 ZINC001222573602 1030203601 /nfs/dbraw/zinc/20/36/01/1030203601.db2.gz BTSUJBULSMWBAU-HSZRJFAPSA-N 2 1 375.516 3.862 20 30 GHEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208949877 1035120781 /nfs/dbraw/zinc/12/07/81/1035120781.db2.gz ZHVQYHSYSAGSRK-LADGPHEKSA-N 2 1 397.563 3.619 20 30 GHEDMP C=CCOC(=O)N1CCC[C@]2(CC[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001208949877 1035120789 /nfs/dbraw/zinc/12/07/89/1035120789.db2.gz ZHVQYHSYSAGSRK-LADGPHEKSA-N 2 1 397.563 3.619 20 30 GHEDMP C=CCOC(=O)N1CCC[C@]2(CC[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001208949877 1035120797 /nfs/dbraw/zinc/12/07/97/1035120797.db2.gz ZHVQYHSYSAGSRK-LADGPHEKSA-N 2 1 397.563 3.619 20 30 GHEDMP C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1)CC2 ZINC001246526546 1037457471 /nfs/dbraw/zinc/45/74/71/1037457471.db2.gz PADNLEZWHDEEEN-PMOLBWCYSA-N 2 1 377.573 3.796 20 30 GHEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H]1CC[NH2+][C@@H](Cc3ccccc3)C1)[C@H]2CC ZINC001246703032 1037555975 /nfs/dbraw/zinc/55/59/75/1037555975.db2.gz HPLXBNSQGGEXKK-AANQFLQQSA-N 2 1 395.591 3.771 20 30 GHEDMP COc1ccc(C[N@@H+]([C@H](C)Cc2cccc(C#N)c2)C2CC[NH2+]CC2)cc1F ZINC001246957525 1037772823 /nfs/dbraw/zinc/77/28/23/1037772823.db2.gz BKSFPUVOSANCOH-QGZVFWFLSA-N 2 1 381.495 3.891 20 30 GHEDMP CCCCCCCC[C@@H](O)C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COC)C1 ZINC001252126253 1038875173 /nfs/dbraw/zinc/87/51/73/1038875173.db2.gz OIAGCGCIMYLOOV-ZRBLBEILSA-N 2 1 380.617 3.778 20 30 GHEDMP CCCCCCCC[C@@H](O)C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001252126253 1038875202 /nfs/dbraw/zinc/87/52/02/1038875202.db2.gz OIAGCGCIMYLOOV-ZRBLBEILSA-N 2 1 380.617 3.778 20 30 GHEDMP CCCCCCCC[C@@H](O)C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001252126253 1038875223 /nfs/dbraw/zinc/87/52/23/1038875223.db2.gz OIAGCGCIMYLOOV-ZRBLBEILSA-N 2 1 380.617 3.778 20 30 GHEDMP CCCCCCCCCC[C@@H](O)C[NH+]1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001252983692 1039311092 /nfs/dbraw/zinc/31/10/92/1039311092.db2.gz YJFREBIUBOLVKV-HSZRJFAPSA-N 2 1 381.649 3.838 20 30 GHEDMP C[N@@H+]1CCC[C@H](NC(=[NH2+])c2cc3ccc(OC(=O)c4cccs4)cc3s2)C1 ZINC001255473212 1041073866 /nfs/dbraw/zinc/07/38/66/1041073866.db2.gz PYGJUTIBIGJSHT-AWEZNQCLSA-N 2 1 399.541 3.982 20 30 GHEDMP C[N@H+]1CCC[C@H](NC(=[NH2+])c2cc3ccc(OC(=O)c4cccs4)cc3s2)C1 ZINC001255473212 1041073884 /nfs/dbraw/zinc/07/38/84/1041073884.db2.gz PYGJUTIBIGJSHT-AWEZNQCLSA-N 2 1 399.541 3.982 20 30 GHEDMP CSc1nc(C[N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)ccc1C#N ZINC001236382059 1041691673 /nfs/dbraw/zinc/69/16/73/1041691673.db2.gz NRFGBCNWOMPGBQ-UHFFFAOYSA-N 2 1 384.524 3.816 20 30 GHEDMP C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258141944 1044429539 /nfs/dbraw/zinc/42/95/39/1044429539.db2.gz QEHQEUSCYZIXNW-RPWUZVMVSA-N 2 1 384.564 3.520 20 30 GHEDMP C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258141944 1044429548 /nfs/dbraw/zinc/42/95/48/1044429548.db2.gz QEHQEUSCYZIXNW-RPWUZVMVSA-N 2 1 384.564 3.520 20 30 GHEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001308487594 1049987613 /nfs/dbraw/zinc/98/76/13/1049987613.db2.gz CWGXVNPZLLJORZ-AUSIDOKSSA-N 2 1 399.542 3.816 20 30 GHEDMP COc1ccc([C@H](CNC(=[NH+]Cc2ccccc2)N(C)C)[NH+]2CCCC2)cc1 ZINC000849054119 1057565704 /nfs/dbraw/zinc/56/57/04/1057565704.db2.gz HJEZVAVOJGXEMJ-QFIPXVFZSA-N 2 1 380.536 3.540 20 30 GHEDMP N#Cc1ccccc1OCCN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001459653143 1064154993 /nfs/dbraw/zinc/15/49/93/1064154993.db2.gz HCBWIELHQGNDHY-PKTZIBPZSA-N 2 1 375.516 3.924 20 30 GHEDMP N#Cc1cccc(OCC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC001459653239 1064155946 /nfs/dbraw/zinc/15/59/46/1064155946.db2.gz HKSVTBANHXEBLI-ISKFKSNPSA-N 2 1 375.516 3.924 20 30 GHEDMP N#Cc1cccc(OCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC001459653239 1064155950 /nfs/dbraw/zinc/15/59/50/1064155950.db2.gz HKSVTBANHXEBLI-ISKFKSNPSA-N 2 1 375.516 3.924 20 30 GHEDMP N#Cc1cccc(OCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC001459653239 1064155956 /nfs/dbraw/zinc/15/59/56/1064155956.db2.gz HKSVTBANHXEBLI-ISKFKSNPSA-N 2 1 375.516 3.924 20 30 GHEDMP N#Cc1cccc(OCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC001459653239 1064155959 /nfs/dbraw/zinc/15/59/59/1064155959.db2.gz HKSVTBANHXEBLI-ISKFKSNPSA-N 2 1 375.516 3.924 20 30 GHEDMP Cc1cc(C#N)cc(C)c1CN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001460083754 1068769965 /nfs/dbraw/zinc/76/99/65/1068769965.db2.gz VSPVHMBMRGSBLF-XMMPIXPASA-N 2 1 388.559 3.567 20 30 GHEDMP Cc1cc(C#N)cc(C)c1C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001460083754 1068769981 /nfs/dbraw/zinc/76/99/81/1068769981.db2.gz VSPVHMBMRGSBLF-XMMPIXPASA-N 2 1 388.559 3.567 20 30 GHEDMP Cc1cc(C#N)cc(C)c1C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001460083754 1068770006 /nfs/dbraw/zinc/77/00/06/1068770006.db2.gz VSPVHMBMRGSBLF-XMMPIXPASA-N 2 1 388.559 3.567 20 30 GHEDMP C=CC[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001473627802 1074056807 /nfs/dbraw/zinc/05/68/07/1074056807.db2.gz QCDATBAVIYVOQU-NQIIRXRSSA-N 2 1 389.971 3.881 20 30 GHEDMP C=CC[C@@H]1CCC[N@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001473627802 1074056813 /nfs/dbraw/zinc/05/68/13/1074056813.db2.gz QCDATBAVIYVOQU-NQIIRXRSSA-N 2 1 389.971 3.881 20 30 GHEDMP C=CC[C@H]1CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001473627801 1074057042 /nfs/dbraw/zinc/05/70/42/1074057042.db2.gz QCDATBAVIYVOQU-GHTZIAJQSA-N 2 1 389.971 3.881 20 30 GHEDMP C=CC[C@H]1CCC[N@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001473627801 1074057048 /nfs/dbraw/zinc/05/70/48/1074057048.db2.gz QCDATBAVIYVOQU-GHTZIAJQSA-N 2 1 389.971 3.881 20 30 GHEDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000179932023 836385363 /nfs/dbraw/zinc/38/53/63/836385363.db2.gz RVUOWQNYMVTKNS-UHFFFAOYSA-N 2 1 379.552 3.903 20 30 GHEDMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N(CCC#N)c2cccc(C)c2C)CC1 ZINC000052210235 849404061 /nfs/dbraw/zinc/40/40/61/849404061.db2.gz JKLLHJOCKSSKFZ-UHFFFAOYSA-N 2 1 398.595 3.994 20 30 GHEDMP COc1ccc(NC(=[NH2+])NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000262014803 851149328 /nfs/dbraw/zinc/14/93/28/851149328.db2.gz KQYUNIWOINDCLE-KUHUBIRLSA-N 2 1 390.890 3.907 20 30 GHEDMP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)[C@H]1CCn2cncc2C1 ZINC000328921953 854623299 /nfs/dbraw/zinc/62/32/99/854623299.db2.gz CIQBBXJPAKBBGD-RXVVDRJESA-N 2 1 380.536 3.875 20 30 GHEDMP C[NH+]1CCN([C@H](C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)c2cccs2)CC1 ZINC000594493395 858190438 /nfs/dbraw/zinc/19/04/38/858190438.db2.gz LCLOSANYQGEYSY-HXUWFJFHSA-N 2 1 382.577 3.628 20 30 GHEDMP C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCN(CC)CC2)cc1 ZINC000765013123 859727873 /nfs/dbraw/zinc/72/78/73/859727873.db2.gz YZKSSOJALXQKOO-OAQYLSRUSA-N 2 1 391.559 3.687 20 30 GHEDMP C#CCOc1ccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)cc1 ZINC000856561883 881468326 /nfs/dbraw/zinc/46/83/26/881468326.db2.gz WVVWACBQWPFQFV-XMMPIXPASA-N 2 1 393.531 3.587 20 30 GHEDMP C#CCOc1ccc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cc1 ZINC000856561883 881468333 /nfs/dbraw/zinc/46/83/33/881468333.db2.gz WVVWACBQWPFQFV-XMMPIXPASA-N 2 1 393.531 3.587 20 30 GHEDMP C#CCOc1ccc(C[N@@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cc1 ZINC000856561883 881468342 /nfs/dbraw/zinc/46/83/42/881468342.db2.gz WVVWACBQWPFQFV-XMMPIXPASA-N 2 1 393.531 3.587 20 30 GHEDMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)CC3(C#N)CCOCC3)CC2)cs1 ZINC000602559794 860111993 /nfs/dbraw/zinc/11/19/93/860111993.db2.gz VPEMJCZNWXWAOZ-QGZVFWFLSA-N 2 1 390.597 3.606 20 30 GHEDMP CC[N@H+](CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C#N)CC1)CC(C)C ZINC000540197928 870739055 /nfs/dbraw/zinc/73/90/55/870739055.db2.gz VDUSJVUGRWFOAY-IBGZPJMESA-N 2 1 384.568 3.965 20 30 GHEDMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C#N)CC1)CC(C)C ZINC000540197928 870739069 /nfs/dbraw/zinc/73/90/69/870739069.db2.gz VDUSJVUGRWFOAY-IBGZPJMESA-N 2 1 384.568 3.965 20 30 GHEDMP CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1)c1ccc(C#N)cc1 ZINC000447543235 871814066 /nfs/dbraw/zinc/81/40/66/871814066.db2.gz LFPKUFPYHUQODR-XMMPIXPASA-N 2 1 376.548 3.937 20 30 GHEDMP C#CCOc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000182238608 872063732 /nfs/dbraw/zinc/06/37/32/872063732.db2.gz NPGFXJAYIHHSSJ-WMZHIEFXSA-N 2 1 378.516 3.506 20 30 GHEDMP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000478046306 872414097 /nfs/dbraw/zinc/41/40/97/872414097.db2.gz MIOKPGSHZCQDIG-OALUTQOASA-N 2 1 382.552 3.862 20 30 GHEDMP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000478046306 872414110 /nfs/dbraw/zinc/41/41/10/872414110.db2.gz MIOKPGSHZCQDIG-OALUTQOASA-N 2 1 382.552 3.862 20 30 GHEDMP COc1ccc(NC(=[NH2+])NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1OC ZINC000304794421 878732371 /nfs/dbraw/zinc/73/23/71/878732371.db2.gz LYHKBRHCOIAEBN-LIRRHRJNSA-N 2 1 388.537 3.575 20 30 GHEDMP Cc1ccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)cc1C#N ZINC000859362961 883774591 /nfs/dbraw/zinc/77/45/91/883774591.db2.gz CNIUMPDHXNZFFU-HSZRJFAPSA-N 2 1 378.520 3.755 20 30 GHEDMP Cc1ccc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cc1C#N ZINC000859362961 883774596 /nfs/dbraw/zinc/77/45/96/883774596.db2.gz CNIUMPDHXNZFFU-HSZRJFAPSA-N 2 1 378.520 3.755 20 30 GHEDMP Cc1ccc(C[N@@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cc1C#N ZINC000859362961 883774603 /nfs/dbraw/zinc/77/46/03/883774603.db2.gz CNIUMPDHXNZFFU-HSZRJFAPSA-N 2 1 378.520 3.755 20 30 GHEDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000103143146 884783657 /nfs/dbraw/zinc/78/36/57/884783657.db2.gz ZICRJLMORXVYMS-UHFFFAOYSA-N 2 1 396.560 3.792 20 30 GHEDMP C#CCOc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000153471695 885775826 /nfs/dbraw/zinc/77/58/26/885775826.db2.gz ALWIUWOQNJIQRT-UXHICEINSA-N 2 1 378.516 3.770 20 30 GHEDMP C#CCOc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000153471695 885775838 /nfs/dbraw/zinc/77/58/38/885775838.db2.gz ALWIUWOQNJIQRT-UXHICEINSA-N 2 1 378.516 3.770 20 30 GHEDMP CO[C@@H]1CCC[NH+](Cc2cc(C#N)cc(C[N@@H+]3CCC[C@H](OC)CC3)c2)CC1 ZINC000878401038 894261875 /nfs/dbraw/zinc/26/18/75/894261875.db2.gz KOZSRQJAAKGYSH-ZRZAMGCNSA-N 2 1 385.552 3.560 20 30 GHEDMP CO[C@@H]1CCC[N@@H+](Cc2cc(C#N)cc(C[NH+]3CCC[C@H](OC)CC3)c2)CC1 ZINC000878401038 894261888 /nfs/dbraw/zinc/26/18/88/894261888.db2.gz KOZSRQJAAKGYSH-ZRZAMGCNSA-N 2 1 385.552 3.560 20 30 GHEDMP CO[C@@H]1CCC[N@H+](Cc2cc(C#N)cc(C[NH+]3CCC[C@H](OC)CC3)c2)CC1 ZINC000878401038 894261903 /nfs/dbraw/zinc/26/19/03/894261903.db2.gz KOZSRQJAAKGYSH-ZRZAMGCNSA-N 2 1 385.552 3.560 20 30 GHEDMP C[NH+]1CCC2(CC1)CC[NH+](CC(=O)c1cn(CCC#N)c3ccccc13)CC2 ZINC000879248254 894930012 /nfs/dbraw/zinc/93/00/12/894930012.db2.gz KSNSVOISTHNKTD-UHFFFAOYSA-N 2 1 378.520 3.545 20 30 GHEDMP CC(C)C[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)CC1CC[NH+](C)CC1 ZINC000879705043 895244926 /nfs/dbraw/zinc/24/49/26/895244926.db2.gz YSGFOTTXFWVXSV-GOSISDBHSA-N 2 1 398.576 3.772 20 30 GHEDMP CC(C)C[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)CC1CC[NH+](C)CC1 ZINC000879705043 895244937 /nfs/dbraw/zinc/24/49/37/895244937.db2.gz YSGFOTTXFWVXSV-GOSISDBHSA-N 2 1 398.576 3.772 20 30 GHEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ncc(C#N)c2ccsc21 ZINC001185592171 913980197 /nfs/dbraw/zinc/98/01/97/913980197.db2.gz CPZRBZBZILIINT-UHFFFAOYSA-N 2 1 397.592 3.800 20 30 GHEDMP Cc1cc(N2CCN(Cc3ccc(N(C)CCC#N)cc3)CC2)nc(C(C)C)n1 ZINC000155240083 898482352 /nfs/dbraw/zinc/48/23/52/898482352.db2.gz HWPJFDOWIXXZMQ-UHFFFAOYSA-N 2 1 392.551 3.581 20 30 GHEDMP CC(C)[NH+]1CCC([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000331495421 898939145 /nfs/dbraw/zinc/93/91/45/898939145.db2.gz YYDBHOMOCLGNES-UHFFFAOYSA-N 2 1 388.581 3.632 20 30 GHEDMP C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001171212244 902696653 /nfs/dbraw/zinc/69/66/53/902696653.db2.gz LCBOXSRMMIPYIO-LJQANCHMSA-N 2 1 395.572 3.918 20 30 GHEDMP C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001171212244 902696662 /nfs/dbraw/zinc/69/66/62/902696662.db2.gz LCBOXSRMMIPYIO-LJQANCHMSA-N 2 1 395.572 3.918 20 30 GHEDMP C=CCOC1CCC([NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)CC1 ZINC001173322301 906372219 /nfs/dbraw/zinc/37/22/19/906372219.db2.gz BSYHKLGHNWUNGZ-UHFFFAOYSA-N 2 1 390.593 3.929 20 30 GHEDMP C=CCOC1CCC([NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)CC1 ZINC001173319974 906391040 /nfs/dbraw/zinc/39/10/40/906391040.db2.gz CGMUABSLQKQPMB-UHFFFAOYSA-N 2 1 399.579 3.510 20 30 GHEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000190622359 908509946 /nfs/dbraw/zinc/50/99/46/908509946.db2.gz LIMWBCZTZGNTNM-SBUREZEXSA-N 2 1 399.498 3.504 20 30 GHEDMP COc1ccc([C@@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)[NH+]2CCCC2)cc1 ZINC000303698239 915066853 /nfs/dbraw/zinc/06/68/53/915066853.db2.gz GCEOXJPLZWHARE-JOCHJYFZSA-N 2 1 378.520 3.748 20 30 GHEDMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)cc1 ZINC000304473353 915516879 /nfs/dbraw/zinc/51/68/79/915516879.db2.gz FZUPUOYTYGJXKV-PGRDOPGGSA-N 2 1 392.547 3.989 20 30 GHEDMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944661 1018775044 /nfs/dbraw/zinc/77/50/44/1018775044.db2.gz ZWDZVKBGDVSAMI-UTUOFQBUSA-N 2 1 394.350 3.964 20 30 GHEDMP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944661 1018775057 /nfs/dbraw/zinc/77/50/57/1018775057.db2.gz ZWDZVKBGDVSAMI-UTUOFQBUSA-N 2 1 394.350 3.964 20 30 GHEDMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944661 1018775072 /nfs/dbraw/zinc/77/50/72/1018775072.db2.gz ZWDZVKBGDVSAMI-UTUOFQBUSA-N 2 1 394.350 3.964 20 30 GHEDMP C[NH+]1CCCC[C@@H]1CC[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944661 1018775081 /nfs/dbraw/zinc/77/50/81/1018775081.db2.gz ZWDZVKBGDVSAMI-UTUOFQBUSA-N 2 1 394.350 3.964 20 30 GHEDMP Cc1cc(N2CCC([NH2+]Cc3ccc(C#N)cc3C(F)(F)F)CC2)nc(C)[nH+]1 ZINC000562904774 1018784802 /nfs/dbraw/zinc/78/48/02/1018784802.db2.gz MEWSXOIVUMWLCT-UHFFFAOYSA-N 2 1 389.425 3.743 20 30 GHEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(-n3cc[nH+]c3C)cc1)C2 ZINC001138542589 1024984994 /nfs/dbraw/zinc/98/49/94/1024984994.db2.gz GCPFCBPWPCLUOZ-XZOQPEGZSA-N 2 1 381.520 3.754 20 30 GHEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1ccc(-n3cc[nH+]c3C)cc1)C2 ZINC001138542589 1024984998 /nfs/dbraw/zinc/98/49/98/1024984998.db2.gz GCPFCBPWPCLUOZ-XZOQPEGZSA-N 2 1 381.520 3.754 20 30 GHEDMP Cc1cc(CC#N)ccc1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162941665 1025978777 /nfs/dbraw/zinc/97/87/77/1025978777.db2.gz YQXIMIXQMDUKSW-QHCPKHFHSA-N 2 1 388.559 3.975 20 30 GHEDMP N#Cc1cccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)c1 ZINC001203761886 1027583149 /nfs/dbraw/zinc/58/31/49/1027583149.db2.gz GGFOJRYBSVNEKX-RPWUZVMVSA-N 2 1 379.548 3.519 20 30 GHEDMP N#Cc1cccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)c1 ZINC001203761886 1027583154 /nfs/dbraw/zinc/58/31/54/1027583154.db2.gz GGFOJRYBSVNEKX-RPWUZVMVSA-N 2 1 379.548 3.519 20 30 GHEDMP N#Cc1cccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)c1 ZINC001203761886 1027583163 /nfs/dbraw/zinc/58/31/63/1027583163.db2.gz GGFOJRYBSVNEKX-RPWUZVMVSA-N 2 1 379.548 3.519 20 30 GHEDMP N#Cc1cccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)c1 ZINC001203761886 1027583173 /nfs/dbraw/zinc/58/31/73/1027583173.db2.gz GGFOJRYBSVNEKX-RPWUZVMVSA-N 2 1 379.548 3.519 20 30 GHEDMP C=CC[N@@H+]1CCc2c(Cl)c(O[C@H]3CC[NH2+]C3)c(O)cc2[C@H](c2ccccc2)C1 ZINC001218182719 1030810902 /nfs/dbraw/zinc/81/09/02/1030810902.db2.gz ZVZPYQSGKQKQMF-PXNSSMCTSA-N 2 1 398.934 3.962 20 30 GHEDMP C[NH+](C)CC(C)(C)C[NH+]1CCC(C#N)(c2ccc(Br)cc2)CC1 ZINC001207286480 1034237198 /nfs/dbraw/zinc/23/71/98/1034237198.db2.gz UBBIUULAAIYCNJ-UHFFFAOYSA-N 2 1 378.358 3.894 20 30 GHEDMP C=CCCCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001160421638 1034968558 /nfs/dbraw/zinc/96/85/58/1034968558.db2.gz COEXUPZQBKEFDP-FCJDFRRUSA-N 2 1 398.595 3.604 20 30 GHEDMP C=CCCCCC[C@H]([NH3+])C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001160901675 1035090116 /nfs/dbraw/zinc/09/01/16/1035090116.db2.gz DVUDMPSIEPRKDM-JFDBCFPISA-N 2 1 385.596 3.872 20 30 GHEDMP N#Cc1ccc(O[C@@H]2CCC[N@@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001208956566 1035129761 /nfs/dbraw/zinc/12/97/61/1035129761.db2.gz BPJQGTGNHICVFS-LADGPHEKSA-N 2 1 375.516 3.924 20 30 GHEDMP N#Cc1ccc(O[C@@H]2CCC[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001208956566 1035129763 /nfs/dbraw/zinc/12/97/63/1035129763.db2.gz BPJQGTGNHICVFS-LADGPHEKSA-N 2 1 375.516 3.924 20 30 GHEDMP N#Cc1ccc(O[C@@H]2CCC[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001208956566 1035129765 /nfs/dbraw/zinc/12/97/65/1035129765.db2.gz BPJQGTGNHICVFS-LADGPHEKSA-N 2 1 375.516 3.924 20 30 GHEDMP C=CCOC(=O)N1CCC2(CCC[N@H+](C3CCC4(CCC[NH2+]C4)CC3)C2)CC1 ZINC001246527162 1037459720 /nfs/dbraw/zinc/45/97/20/1037459720.db2.gz SOBHQVAICWVKQF-UHFFFAOYSA-N 2 1 389.584 3.799 20 30 GHEDMP N#Cc1ccccc1O[C@@H]1CCC[N@@H+]([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C1 ZINC001246844280 1037672010 /nfs/dbraw/zinc/67/20/10/1037672010.db2.gz LMAZNLGGIJNFGO-YTFSRNRJSA-N 2 1 375.516 3.765 20 30 GHEDMP N#Cc1ccccc1O[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C1 ZINC001246844280 1037672023 /nfs/dbraw/zinc/67/20/23/1037672023.db2.gz LMAZNLGGIJNFGO-YTFSRNRJSA-N 2 1 375.516 3.765 20 30 GHEDMP CCCCCCCCCC[C@H](O)C[NH+]1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001252983694 1039313094 /nfs/dbraw/zinc/31/30/94/1039313094.db2.gz YJFREBIUBOLVKV-QHCPKHFHSA-N 2 1 381.649 3.838 20 30 GHEDMP C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255382576 1040972904 /nfs/dbraw/zinc/97/29/04/1040972904.db2.gz DHLMFBHSWRABGZ-DHIUTWEWSA-N 2 1 391.559 3.536 20 30 GHEDMP C=CCOC(=O)N1CCC2(CCC[N@H+](C3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)CC1 ZINC001255674192 1041205272 /nfs/dbraw/zinc/20/52/72/1041205272.db2.gz MRGPYEJJHHRQMV-YOFSQIOKSA-N 2 1 375.557 3.502 20 30 GHEDMP N#Cc1cccc(O[C@H]2CCC[N@@H+](Cc3cn4c5c3cccc5C[NH2+]CC4)C2)c1 ZINC001235968154 1041472990 /nfs/dbraw/zinc/47/29/90/1041472990.db2.gz FBKWUVKUOFQUPY-QFIPXVFZSA-N 2 1 386.499 3.660 20 30 GHEDMP C#CC[N@@H+](Cc1ccc(F)c(N2CC[NH+](C)CC2)c1)[C@@H]1CCc2ccccc21 ZINC001236973717 1041973550 /nfs/dbraw/zinc/97/35/50/1041973550.db2.gz MXEPWPFGNUOULI-HSZRJFAPSA-N 2 1 377.507 3.700 20 30 GHEDMP C#CC[N@H+](Cc1ccc(F)c(N2CC[NH+](C)CC2)c1)[C@@H]1CCc2ccccc21 ZINC001236973717 1041973555 /nfs/dbraw/zinc/97/35/55/1041973555.db2.gz MXEPWPFGNUOULI-HSZRJFAPSA-N 2 1 377.507 3.700 20 30 GHEDMP C=CCOC(=O)N1CCC2(CCC[N@H+](C3CCN(c4cc[nH+]cc4)CC3)C2)CC1 ZINC001256855003 1043703573 /nfs/dbraw/zinc/70/35/73/1043703573.db2.gz CTGWBDDRCDXNMJ-UHFFFAOYSA-N 2 1 398.551 3.551 20 30 GHEDMP C[NH+]1CCN(c2ccc(NCc3ccc(C#N)cc3F)c3c[nH+]ccc32)CC1 ZINC001308980836 1050242373 /nfs/dbraw/zinc/24/23/73/1050242373.db2.gz FUTHRXHMYAJVOY-UHFFFAOYSA-N 2 1 375.451 3.609 20 30 GHEDMP C=CC(C)(C)CCCNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001471246742 1072981973 /nfs/dbraw/zinc/98/19/73/1072981973.db2.gz JMEBUKHGFBAJCK-UHFFFAOYSA-N 2 1 392.632 3.817 20 30 GHEDMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278685338 835790624 /nfs/dbraw/zinc/79/06/24/835790624.db2.gz PHWFSQCBRATGCG-IBGZPJMESA-N 2 1 380.540 3.603 20 30 GHEDMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1CCC(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000328696713 838687914 /nfs/dbraw/zinc/68/79/14/838687914.db2.gz UJGKKTQKDGIHAF-GTUQPRBKSA-N 2 1 392.588 3.956 20 30 GHEDMP C(#CC[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1)C[NH+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000661876462 842273817 /nfs/dbraw/zinc/27/38/17/842273817.db2.gz UDWIFJJOGNOQJQ-ZJZGAYNASA-N 2 1 388.596 3.552 20 30 GHEDMP N#Cc1ccccc1OCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433072537 845165642 /nfs/dbraw/zinc/16/56/42/845165642.db2.gz CACVFDGKVYPIMR-UHFFFAOYSA-N 2 1 375.516 3.925 20 30 GHEDMP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000611622465 847600084 /nfs/dbraw/zinc/60/00/84/847600084.db2.gz JVQHVQDIGBPYPE-VWNXMTODSA-N 2 1 375.516 3.682 20 30 GHEDMP O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000329637961 861858696 /nfs/dbraw/zinc/85/86/96/861858696.db2.gz VWCQLVCRKIEJLO-PMACEKPBSA-N 2 1 379.508 3.648 20 30 GHEDMP C#CCOc1ccc([C@@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cc1 ZINC000162742762 849424202 /nfs/dbraw/zinc/42/42/02/849424202.db2.gz FNIAQEPNXBRCKY-GOSISDBHSA-N 2 1 381.520 3.866 20 30 GHEDMP CC(C)(C)[NH+]1CCC(NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)CC1 ZINC000329903364 862410063 /nfs/dbraw/zinc/41/00/63/862410063.db2.gz QDYHARLGGLMLDU-UHFFFAOYSA-N 2 1 377.439 3.772 20 30 GHEDMP Cc1cc(C#N)cc(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000572113866 854397673 /nfs/dbraw/zinc/39/76/73/854397673.db2.gz SDZFXONFXQUKPG-UHFFFAOYSA-N 2 1 397.567 3.527 20 30 GHEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2ccccc2)cc1 ZINC000183682190 858795801 /nfs/dbraw/zinc/79/58/01/858795801.db2.gz UKZCYMYIMVBDQN-SFHVURJKSA-N 2 1 387.487 3.778 20 30 GHEDMP N#Cc1ccc(CN2CCC([NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000192923495 863222147 /nfs/dbraw/zinc/22/21/47/863222147.db2.gz WHIPDDCVVFCCKO-XMMPIXPASA-N 2 1 388.559 3.634 20 30 GHEDMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1)CC(C)C ZINC001192489085 870462782 /nfs/dbraw/zinc/46/27/82/870462782.db2.gz ADSBQLORLUNWAV-LJQANCHMSA-N 2 1 384.568 3.965 20 30 GHEDMP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1)c1ccc(C#N)cc1 ZINC000447546430 871819204 /nfs/dbraw/zinc/81/92/04/871819204.db2.gz VVHXWESSWXWQEF-DEOSSOPVSA-N 2 1 376.548 3.937 20 30 GHEDMP C[C@@H]1CCCC[N@H+]1CCC1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000478047341 872417049 /nfs/dbraw/zinc/41/70/49/872417049.db2.gz PYPXKTYRSJHJCW-XXBNENTESA-N 2 1 394.563 3.640 20 30 GHEDMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000478047341 872417053 /nfs/dbraw/zinc/41/70/53/872417053.db2.gz PYPXKTYRSJHJCW-XXBNENTESA-N 2 1 394.563 3.640 20 30 GHEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000478047341 872417062 /nfs/dbraw/zinc/41/70/62/872417062.db2.gz PYPXKTYRSJHJCW-XXBNENTESA-N 2 1 394.563 3.640 20 30 GHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)CC1 ZINC000152936081 872991651 /nfs/dbraw/zinc/99/16/51/872991651.db2.gz AABLEOMQIYKAJH-KRWDZBQOSA-N 2 1 377.960 3.707 20 30 GHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CC(=O)N(C)Cc2ccccc2Cl)CC1 ZINC000153018268 873103501 /nfs/dbraw/zinc/10/35/01/873103501.db2.gz MUWLUKMLLIZMNP-QGZVFWFLSA-N 2 1 377.960 3.707 20 30 GHEDMP C[C@H](Cc1ccc(O)cc1)[NH+](C)CC#CC[N@H+](C)[C@H](C)Cc1ccc(O)cc1 ZINC000551699458 877664384 /nfs/dbraw/zinc/66/43/84/877664384.db2.gz CJRFWPYTCYBWDE-WOJBJXKFSA-N 2 1 380.532 3.527 20 30 GHEDMP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000859214686 883668917 /nfs/dbraw/zinc/66/89/17/883668917.db2.gz MERCVQHNZWQXJO-HXUWFJFHSA-N 2 1 392.547 3.824 20 30 GHEDMP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000859214686 883668924 /nfs/dbraw/zinc/66/89/24/883668924.db2.gz MERCVQHNZWQXJO-HXUWFJFHSA-N 2 1 392.547 3.824 20 30 GHEDMP C#CC[N@@H+](CCCn1cc[nH+]c1C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000762926271 887110431 /nfs/dbraw/zinc/11/04/31/887110431.db2.gz ORXCTDRTQURNRL-GOSISDBHSA-N 2 1 388.309 3.803 20 30 GHEDMP C#CC[N@H+](CCCn1cc[nH+]c1C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000762926271 887110439 /nfs/dbraw/zinc/11/04/39/887110439.db2.gz ORXCTDRTQURNRL-GOSISDBHSA-N 2 1 388.309 3.803 20 30 GHEDMP N#Cc1ccccc1N1CCC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000865695096 888519394 /nfs/dbraw/zinc/51/93/94/888519394.db2.gz LSMFWTCBSGGYLD-UHFFFAOYSA-N 2 1 388.559 3.824 20 30 GHEDMP C=CCOc1ccc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000536664140 893478243 /nfs/dbraw/zinc/47/82/43/893478243.db2.gz FSTHPZVYZLPQSD-UHFFFAOYSA-N 2 1 385.596 3.880 20 30 GHEDMP C=CCOc1ccc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000536664140 893478245 /nfs/dbraw/zinc/47/82/45/893478245.db2.gz FSTHPZVYZLPQSD-UHFFFAOYSA-N 3 1 385.596 3.880 20 30 GHEDMP C=CCOc1ccc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000536664140 893478248 /nfs/dbraw/zinc/47/82/48/893478248.db2.gz FSTHPZVYZLPQSD-UHFFFAOYSA-N 3 1 385.596 3.880 20 30 GHEDMP COC(=O)[C@@H]1CCC[C@@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172780849 905820514 /nfs/dbraw/zinc/82/05/14/905820514.db2.gz KQXQBHNQMAUELL-GXRSIYKFSA-N 2 1 383.536 3.752 20 30 GHEDMP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C[C@H]1C#N ZINC001172969037 906030681 /nfs/dbraw/zinc/03/06/81/906030681.db2.gz VGFBZTVCZIAQCR-RTWAWAEBSA-N 2 1 398.551 3.532 20 30 GHEDMP CCOC(=O)C[C@H]1CC[C@@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173633937 906585806 /nfs/dbraw/zinc/58/58/06/906585806.db2.gz SNWILGZSFPMAPC-AGOPTVSRSA-N 2 1 383.536 3.752 20 30 GHEDMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3ccc(OCC#N)cc3)cc2)CC1 ZINC000181518355 907018565 /nfs/dbraw/zinc/01/85/65/907018565.db2.gz YFSRAKFATADDHS-HXUWFJFHSA-N 2 1 392.547 3.577 20 30 GHEDMP C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183198420 907348701 /nfs/dbraw/zinc/34/87/01/907348701.db2.gz XYBBKPSPBFESEH-DENIHFKCSA-N 2 1 380.580 3.765 20 30 GHEDMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)N(CCC#N)c1ccccc1 ZINC000185742300 907828778 /nfs/dbraw/zinc/82/87/78/907828778.db2.gz UMEOHFFGACTMAX-SLFFLAALSA-N 2 1 382.552 3.564 20 30 GHEDMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)N(CCC#N)c1ccccc1 ZINC000185742300 907828788 /nfs/dbraw/zinc/82/87/88/907828788.db2.gz UMEOHFFGACTMAX-SLFFLAALSA-N 2 1 382.552 3.564 20 30 GHEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC001178826570 909249362 /nfs/dbraw/zinc/24/93/62/909249362.db2.gz FOCDMWWAEZGLMI-UHFFFAOYSA-N 2 1 378.545 3.705 20 30 GHEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC001178826570 909249378 /nfs/dbraw/zinc/24/93/78/909249378.db2.gz FOCDMWWAEZGLMI-UHFFFAOYSA-N 2 1 378.545 3.705 20 30 GHEDMP COc1ccc(NC(=[NH2+])NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)cc1 ZINC000303788728 915128808 /nfs/dbraw/zinc/12/88/08/915128808.db2.gz UONQGRSOVCUDHU-NRFANRHFSA-N 2 1 382.508 3.658 20 30 GHEDMP C=CCOc1c(Br)cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1OC ZINC000469884382 930234688 /nfs/dbraw/zinc/23/46/88/930234688.db2.gz NDLQSWXSPZXNSC-ZOBUZTSGSA-N 2 1 395.341 3.582 20 30 GHEDMP C=CCOc1c(Br)cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1OC ZINC000469884382 930234694 /nfs/dbraw/zinc/23/46/94/930234694.db2.gz NDLQSWXSPZXNSC-ZOBUZTSGSA-N 2 1 395.341 3.582 20 30 GHEDMP N#Cc1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c([N+](=O)[O-])c1 ZINC000567994907 1019366754 /nfs/dbraw/zinc/36/67/54/1019366754.db2.gz XVVSAVUJFCQRTB-UHFFFAOYSA-N 2 1 390.487 3.955 20 30 GHEDMP N#Cc1ccnc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1Cl ZINC001162933655 1025971504 /nfs/dbraw/zinc/97/15/04/1025971504.db2.gz QDHRXXFJRBBQCC-LJQANCHMSA-N 2 1 395.938 3.520 20 30 GHEDMP N#CCc1cccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1F ZINC001162935541 1025972531 /nfs/dbraw/zinc/97/25/31/1025972531.db2.gz RZJHHIJDBVJAEX-OAQYLSRUSA-N 2 1 392.522 3.805 20 30 GHEDMP COc1cc(C[NH+]2CCC(C#N)(c3ccccc3)CC2)cc(C[NH+](C)C)c1O ZINC001139253358 1026104596 /nfs/dbraw/zinc/10/45/96/1026104596.db2.gz SADHIZTYHBNFQC-UHFFFAOYSA-N 2 1 379.504 3.520 20 30 GHEDMP COc1cc(C[NH+]2CCC(C#N)(c3ccccc3F)CC2)cc(C[NH+](C)C)c1O ZINC001139259890 1026110574 /nfs/dbraw/zinc/11/05/74/1026110574.db2.gz JFONYHDLOFYBTH-UHFFFAOYSA-N 2 1 397.494 3.659 20 30 GHEDMP CCc1c(C)nc2sc(C#N)c(Nc3cc[nH+]c(N4CC[NH2+]CC4)c3)c2c1C ZINC001210263851 1027411828 /nfs/dbraw/zinc/41/18/28/1027411828.db2.gz HEAJFOFCDBMFCW-UHFFFAOYSA-N 2 1 392.532 3.895 20 30 GHEDMP N#Cc1ccc(C[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)cc1 ZINC001222573603 1030206188 /nfs/dbraw/zinc/20/61/88/1030206188.db2.gz BTSUJBULSMWBAU-QHCPKHFHSA-N 2 1 375.516 3.862 20 30 GHEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC001220600199 1032005003 /nfs/dbraw/zinc/00/50/03/1032005003.db2.gz CZRGTXYSRVTWID-GMAHTHKFSA-N 2 1 398.595 3.601 20 30 GHEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC001220600199 1032005015 /nfs/dbraw/zinc/00/50/15/1032005015.db2.gz CZRGTXYSRVTWID-GMAHTHKFSA-N 2 1 398.595 3.601 20 30 GHEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc([C@H]2CCCC[N@H+]2CCC)cn1 ZINC001159924461 1034787774 /nfs/dbraw/zinc/78/77/74/1034787774.db2.gz RCMAYFFUCLCDRK-VQTJNVASSA-N 2 1 388.556 3.657 20 30 GHEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc([C@H]2CCCC[N@@H+]2CCC)cn1 ZINC001159924461 1034787784 /nfs/dbraw/zinc/78/77/84/1034787784.db2.gz RCMAYFFUCLCDRK-VQTJNVASSA-N 2 1 388.556 3.657 20 30 GHEDMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](CCCc1ccc(C#N)cc1)CC2 ZINC001208860160 1035063632 /nfs/dbraw/zinc/06/36/32/1035063632.db2.gz YRBKZDLXBGYIBE-JOCHJYFZSA-N 2 1 393.531 3.839 20 30 GHEDMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](CCc1ccc(C#N)cc1)CC2 ZINC001208922820 1035090038 /nfs/dbraw/zinc/09/00/38/1035090038.db2.gz LGCNYQPNFOWYIL-NRFANRHFSA-N 2 1 395.572 3.918 20 30 GHEDMP C=CCCCCC[C@H]([NH3+])C(=O)N1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001161058477 1035128605 /nfs/dbraw/zinc/12/86/05/1035128605.db2.gz WCJGAKVGDMPNAY-NRFANRHFSA-N 2 1 375.532 3.712 20 30 GHEDMP CCCCCCCC[C@H](O)C[NH2+]CCCC[C@@H]([NH3+])C(=O)OCc1ccccc1 ZINC001246010613 1037131590 /nfs/dbraw/zinc/13/15/90/1037131590.db2.gz BVGCSNYRYDEKIM-FCHUYYIVSA-N 2 1 392.584 3.929 20 30 GHEDMP C=CCOC(=O)N1CCC2(CCC[N@H+]([C@@H]3CC[NH2+][C@@H](CCCC)C3)C2)CC1 ZINC001246526769 1037457749 /nfs/dbraw/zinc/45/77/49/1037457749.db2.gz QXGIMMPYRKNDEF-VQTJNVASSA-N 2 1 377.573 3.798 20 30 GHEDMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](CCCc1cccc(C#N)c1)CC2 ZINC001235020611 1040513180 /nfs/dbraw/zinc/51/31/80/1040513180.db2.gz UIPHEDXHAOHYKC-UHFFFAOYSA-N 2 1 375.516 3.636 20 30 GHEDMP C=CCN1C(=O)CCC12CC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC001255143447 1040854857 /nfs/dbraw/zinc/85/48/57/1040854857.db2.gz WKNDHPACGQIQGK-JKHIJQBDSA-N 2 1 393.575 3.825 20 30 GHEDMP C=CCOC(=O)N1CC2(C1)CC[NH+]([C@@H]1CCC[N@@H+](Cc3ccccc3)CC1)CC2 ZINC001255398238 1040984308 /nfs/dbraw/zinc/98/43/08/1040984308.db2.gz IXKFUWLFCIMSHM-JOCHJYFZSA-N 2 1 397.563 3.762 20 30 GHEDMP N#Cc1cccc(NC(=O)CC[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001326596056 1057518962 /nfs/dbraw/zinc/51/89/62/1057518962.db2.gz IAWTZJIJWXDICQ-JOCHJYFZSA-N 2 1 390.531 3.779 20 30 GHEDMP c1ccc(NC(=[NH+]Cc2ccccc2C[NH+]2CCOCC2)N2CCCCC2)cc1 ZINC000849053247 1057562394 /nfs/dbraw/zinc/56/23/94/1057562394.db2.gz QCBOCSZVWLSELC-UHFFFAOYSA-N 2 1 392.547 3.973 20 30 GHEDMP C=CC[C@H]1CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001473627803 1074057276 /nfs/dbraw/zinc/05/72/76/1074057276.db2.gz QCDATBAVIYVOQU-RXVVDRJESA-N 2 1 389.971 3.881 20 30 GHEDMP C=CC[C@H]1CCC[N@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC001473627803 1074057280 /nfs/dbraw/zinc/05/72/80/1074057280.db2.gz QCDATBAVIYVOQU-RXVVDRJESA-N 2 1 389.971 3.881 20 30 GHEDMP N#Cc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(C(F)(F)F)c1 ZINC000581552101 837539111 /nfs/dbraw/zinc/53/91/11/837539111.db2.gz KYHGCVLOOBAMDZ-UHFFFAOYSA-N 2 1 381.442 3.654 20 30 GHEDMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000430179065 834801586 /nfs/dbraw/zinc/80/15/86/834801586.db2.gz NJIORGBZTVCFGM-NRFANRHFSA-N 2 1 378.520 3.565 20 30 GHEDMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000430179065 834801592 /nfs/dbraw/zinc/80/15/92/834801592.db2.gz NJIORGBZTVCFGM-NRFANRHFSA-N 2 1 378.520 3.565 20 30 GHEDMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000430179065 834801597 /nfs/dbraw/zinc/80/15/97/834801597.db2.gz NJIORGBZTVCFGM-NRFANRHFSA-N 2 1 378.520 3.565 20 30 GHEDMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000430179065 834801608 /nfs/dbraw/zinc/80/16/08/834801608.db2.gz NJIORGBZTVCFGM-NRFANRHFSA-N 2 1 378.520 3.565 20 30 GHEDMP C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000159252567 835783443 /nfs/dbraw/zinc/78/34/43/835783443.db2.gz OWOFAFXHMPEPRT-NZQKXSOJSA-N 2 1 398.595 3.721 20 30 GHEDMP C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCCO2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329466704 861480186 /nfs/dbraw/zinc/48/01/86/861480186.db2.gz VRYYQLJDTRJOON-DLBZAZTESA-N 2 1 387.524 3.679 20 30 GHEDMP C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCCO2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000329466704 861480193 /nfs/dbraw/zinc/48/01/93/861480193.db2.gz VRYYQLJDTRJOON-DLBZAZTESA-N 2 1 387.524 3.679 20 30 GHEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC(=O)Nc2sccc2C#N)cc1 ZINC000183674138 846778305 /nfs/dbraw/zinc/77/83/05/846778305.db2.gz ICWYVNHQZPNTCO-AWEZNQCLSA-N 2 1 379.489 3.793 20 30 GHEDMP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000611622457 847600045 /nfs/dbraw/zinc/60/00/45/847600045.db2.gz JVQHVQDIGBPYPE-ISKFKSNPSA-N 2 1 375.516 3.682 20 30 GHEDMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000178789039 849139969 /nfs/dbraw/zinc/13/99/69/849139969.db2.gz JFFLYWPMKYQYQS-MRXNPFEDSA-N 2 1 384.474 3.829 20 30 GHEDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCC(=O)Nc1ccc(C#N)cc1 ZINC000248394523 855074400 /nfs/dbraw/zinc/07/44/00/855074400.db2.gz ICLYIPJMEOCMCU-HROJSSOGSA-N 2 1 390.531 3.633 20 30 GHEDMP C[C@@H]1C[C@H](NC(=O)C(C)(C)CCC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC[NH+]1C ZINC000330185194 862645237 /nfs/dbraw/zinc/64/52/37/862645237.db2.gz RECFXZNPLMDCDD-BRSBDYLESA-N 2 1 380.577 3.671 20 30 GHEDMP C[C@@H]1C[C@H](NC(=O)CCC(C)(C)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC[NH+]1C ZINC000330185194 862645241 /nfs/dbraw/zinc/64/52/41/862645241.db2.gz RECFXZNPLMDCDD-BRSBDYLESA-N 2 1 380.577 3.671 20 30 GHEDMP C[C@@H]1C[C@H](NC(=O)CCC(C)(C)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC[NH+]1C ZINC000330185194 862645246 /nfs/dbraw/zinc/64/52/46/862645246.db2.gz RECFXZNPLMDCDD-BRSBDYLESA-N 2 1 380.577 3.671 20 30 GHEDMP C=C(C)COc1cc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)ccc1OC ZINC000057959738 855878128 /nfs/dbraw/zinc/87/81/28/855878128.db2.gz IGUUWGXCEMIYQQ-UHFFFAOYSA-N 2 1 396.531 3.772 20 30 GHEDMP C[N@H+](CCC(=O)Nc1sccc1C#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480650 858054629 /nfs/dbraw/zinc/05/46/29/858054629.db2.gz UPPFQHKDIBRZTF-UHFFFAOYSA-N 2 1 382.533 3.545 20 30 GHEDMP C[N@@H+](CCC(=O)Nc1sccc1C#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480650 858054636 /nfs/dbraw/zinc/05/46/36/858054636.db2.gz UPPFQHKDIBRZTF-UHFFFAOYSA-N 2 1 382.533 3.545 20 30 GHEDMP Cc1cc(NC2CC[NH+](C(C)C)CC2)c(C#N)c(NC2CC[NH+](C(C)C)CC2)[nH+]1 ZINC000596062963 858769686 /nfs/dbraw/zinc/76/96/86/858769686.db2.gz UVCAHVZKXWLTFD-UHFFFAOYSA-N 3 1 398.599 3.831 20 30 GHEDMP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(C#N)cc3F)C2)ccn1 ZINC000856560460 881440228 /nfs/dbraw/zinc/44/02/28/881440228.db2.gz NAPNXWDWZZWVMD-NRFANRHFSA-N 2 1 382.483 3.586 20 30 GHEDMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(C#N)cc3F)C2)ccn1 ZINC000856560460 881440233 /nfs/dbraw/zinc/44/02/33/881440233.db2.gz NAPNXWDWZZWVMD-NRFANRHFSA-N 2 1 382.483 3.586 20 30 GHEDMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)ccn1 ZINC000856560460 881440237 /nfs/dbraw/zinc/44/02/37/881440237.db2.gz NAPNXWDWZZWVMD-NRFANRHFSA-N 2 1 382.483 3.586 20 30 GHEDMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)ccn1 ZINC000856560460 881440240 /nfs/dbraw/zinc/44/02/40/881440240.db2.gz NAPNXWDWZZWVMD-NRFANRHFSA-N 2 1 382.483 3.586 20 30 GHEDMP C[NH+]=C(NCc1sc(C)nc1C)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000262362139 863249629 /nfs/dbraw/zinc/24/96/29/863249629.db2.gz GZHJCTMWPALSDA-MAUKXSAKSA-N 2 1 391.610 3.570 20 30 GHEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N(C)C2(C#N)CCCCC2)cc1 ZINC000183142165 863484394 /nfs/dbraw/zinc/48/43/94/863484394.db2.gz OMLQMHJSHSJJSK-QGZVFWFLSA-N 2 1 379.508 3.516 20 30 GHEDMP Cc1nnc(-c2cccc(C#N)c2)n1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000739857239 865803285 /nfs/dbraw/zinc/80/32/85/865803285.db2.gz KSQPEQGDCGOEGR-WIYYLYMNSA-N 2 1 392.551 3.669 20 30 GHEDMP Cc1nnc(-c2cccc(C#N)c2)n1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000739857239 865803295 /nfs/dbraw/zinc/80/32/95/865803295.db2.gz KSQPEQGDCGOEGR-WIYYLYMNSA-N 2 1 392.551 3.669 20 30 GHEDMP Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000739857239 865803299 /nfs/dbraw/zinc/80/32/99/865803299.db2.gz KSQPEQGDCGOEGR-WIYYLYMNSA-N 2 1 392.551 3.669 20 30 GHEDMP Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000739857239 865803309 /nfs/dbraw/zinc/80/33/09/865803309.db2.gz KSQPEQGDCGOEGR-WIYYLYMNSA-N 2 1 392.551 3.669 20 30 GHEDMP C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248551826 870484479 /nfs/dbraw/zinc/48/44/79/870484479.db2.gz GVOQAMCSXQQXOZ-DLONSHSGSA-N 2 1 388.600 3.548 20 30 GHEDMP C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248551826 870484486 /nfs/dbraw/zinc/48/44/86/870484486.db2.gz GVOQAMCSXQQXOZ-DLONSHSGSA-N 2 1 388.600 3.548 20 30 GHEDMP Cc1ccc([C@@H](CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)[NH+]2CCCC2)o1 ZINC000181648394 871333277 /nfs/dbraw/zinc/33/32/77/871333277.db2.gz GVGZNEAHUBHQIM-HSZRJFAPSA-N 2 1 392.547 3.851 20 30 GHEDMP C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000182238634 872064344 /nfs/dbraw/zinc/06/43/44/872064344.db2.gz NPGFXJAYIHHSSJ-AUSIDOKSSA-N 2 1 378.516 3.506 20 30 GHEDMP CC1(C)C[N@@H+](C[C@H](O)CC2(C#N)CC2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000528560106 874706069 /nfs/dbraw/zinc/70/60/69/874706069.db2.gz HOEOWJINQUYORO-YADHBBJMSA-N 2 1 381.564 3.664 20 30 GHEDMP COc1ccc(NC(=[NH2+])NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1OC ZINC000304794418 878733159 /nfs/dbraw/zinc/73/31/59/878733159.db2.gz LYHKBRHCOIAEBN-KUHUBIRLSA-N 2 1 388.537 3.575 20 30 GHEDMP C#CCCOc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000113327935 880517242 /nfs/dbraw/zinc/51/72/42/880517242.db2.gz UIQMFKOBZNNYPO-FQEVSTJZSA-N 2 1 378.516 3.599 20 30 GHEDMP C#CCCOc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000113327935 880517251 /nfs/dbraw/zinc/51/72/51/880517251.db2.gz UIQMFKOBZNNYPO-FQEVSTJZSA-N 2 1 378.516 3.599 20 30 GHEDMP C=CCC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccco1 ZINC000286178813 912609239 /nfs/dbraw/zinc/60/92/39/912609239.db2.gz QRZUHIQVFSNPBW-RTWAWAEBSA-N 2 1 381.520 3.774 20 30 GHEDMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC000859214195 883667358 /nfs/dbraw/zinc/66/73/58/883667358.db2.gz FUIHWTGQYNMVNL-UHFFFAOYSA-N 2 1 396.560 3.631 20 30 GHEDMP C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000610809711 885280508 /nfs/dbraw/zinc/28/05/08/885280508.db2.gz QEOLFVSTLFJTCX-AUSIDOKSSA-N 2 1 389.547 3.565 20 30 GHEDMP C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000610809711 885280526 /nfs/dbraw/zinc/28/05/26/885280526.db2.gz QEOLFVSTLFJTCX-AUSIDOKSSA-N 2 1 389.547 3.565 20 30 GHEDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(-c4ccccc4C#N)cc3)C2)CC1 ZINC000532567518 886115735 /nfs/dbraw/zinc/11/57/35/886115735.db2.gz YDXFSIRDZDSGCM-DEOSSOPVSA-N 2 1 388.559 3.826 20 30 GHEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC000119568330 886756241 /nfs/dbraw/zinc/75/62/41/886756241.db2.gz RKMWAMLFWZZNGY-FQEVSTJZSA-N 2 1 390.616 3.713 20 30 GHEDMP C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001171212243 902696515 /nfs/dbraw/zinc/69/65/15/902696515.db2.gz LCBOXSRMMIPYIO-IBGZPJMESA-N 2 1 395.572 3.918 20 30 GHEDMP C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001171212243 902696520 /nfs/dbraw/zinc/69/65/20/902696520.db2.gz LCBOXSRMMIPYIO-IBGZPJMESA-N 2 1 395.572 3.918 20 30 GHEDMP C[C@H](CCCC#N)[NH2+]C1CC[NH+](C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001172478052 905556118 /nfs/dbraw/zinc/55/61/18/905556118.db2.gz BBBCUJVMVFNDBN-QGZVFWFLSA-N 2 1 378.561 3.522 20 30 GHEDMP CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)C[C@H]1C#N ZINC001172986553 906052201 /nfs/dbraw/zinc/05/22/01/906052201.db2.gz XKJWLOFTHORNRX-UFYCRDLUSA-N 2 1 390.572 3.618 20 30 GHEDMP CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)C[C@H]1C#N ZINC001172986553 906052216 /nfs/dbraw/zinc/05/22/16/906052216.db2.gz XKJWLOFTHORNRX-UFYCRDLUSA-N 2 1 390.572 3.618 20 30 GHEDMP COc1ccc([C@@H](CNC(=[NH2+])Nc2cccc(OC)c2)[NH+]2CCCCC2)cc1 ZINC000303771101 915120264 /nfs/dbraw/zinc/12/02/64/915120264.db2.gz CKFIKFGHSMHXAE-OAQYLSRUSA-N 2 1 382.508 3.658 20 30 GHEDMP CC(C)c1cccc(NC(=[NH2+])NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000303865852 915224609 /nfs/dbraw/zinc/22/46/09/915224609.db2.gz BUUAYYVDSYOVIV-SFHVURJKSA-N 2 1 380.536 3.958 20 30 GHEDMP CC(C)c1cccc(NC(=[NH2+])NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000303865852 915224624 /nfs/dbraw/zinc/22/46/24/915224624.db2.gz BUUAYYVDSYOVIV-SFHVURJKSA-N 2 1 380.536 3.958 20 30 GHEDMP [NH2+]=C(NCCC[N@H+]1CCc2ccccc2C1)Nc1ccccc1OC(F)(F)F ZINC000305203623 916007122 /nfs/dbraw/zinc/00/71/22/916007122.db2.gz FWDFDNFWVLKRPH-UHFFFAOYSA-N 2 1 392.425 3.760 20 30 GHEDMP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932949674 1018780753 /nfs/dbraw/zinc/78/07/53/1018780753.db2.gz PUSLRBVRECNSCO-MXWKQRLJSA-N 2 1 380.323 3.574 20 30 GHEDMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932949674 1018780763 /nfs/dbraw/zinc/78/07/63/1018780763.db2.gz PUSLRBVRECNSCO-MXWKQRLJSA-N 2 1 380.323 3.574 20 30 GHEDMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932949674 1018780770 /nfs/dbraw/zinc/78/07/70/1018780770.db2.gz PUSLRBVRECNSCO-MXWKQRLJSA-N 2 1 380.323 3.574 20 30 GHEDMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932949674 1018780782 /nfs/dbraw/zinc/78/07/82/1018780782.db2.gz PUSLRBVRECNSCO-MXWKQRLJSA-N 2 1 380.323 3.574 20 30 GHEDMP N#Cc1ccnc(-c2ccc(C[N@@H+]3C[C@H]4CN(Cc5cccnc5)C[C@H]4C3)cc2)c1 ZINC001139402438 1026273190 /nfs/dbraw/zinc/27/31/90/1026273190.db2.gz RLJLZBJEZBLKTA-PSWAGMNNSA-N 2 1 395.510 3.579 20 30 GHEDMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC001139527808 1026383838 /nfs/dbraw/zinc/38/38/38/1026383838.db2.gz POYAWAJPSPDYHK-IEIRFRATSA-N 2 1 378.495 3.825 20 30 GHEDMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC001139527808 1026383851 /nfs/dbraw/zinc/38/38/51/1026383851.db2.gz POYAWAJPSPDYHK-IEIRFRATSA-N 2 1 378.495 3.825 20 30 GHEDMP C=CC[N@@H+]1CCc2c(Cl)c(O[C@H]3CC[NH2+]C3)c(O)cc2[C@@H](c2ccccc2)C1 ZINC001218182717 1030809988 /nfs/dbraw/zinc/80/99/88/1030809988.db2.gz ZVZPYQSGKQKQMF-FXAWDEMLSA-N 2 1 398.934 3.962 20 30 GHEDMP C=CCN(CC[N@@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21)C(=O)OCC ZINC001209020401 1035152200 /nfs/dbraw/zinc/15/22/00/1035152200.db2.gz IOGFLYALIGMDJY-DXBBTUNJSA-N 2 1 387.568 3.526 20 30 GHEDMP C=CCN(CC[N@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21)C(=O)OCC ZINC001209020401 1035152203 /nfs/dbraw/zinc/15/22/03/1035152203.db2.gz IOGFLYALIGMDJY-DXBBTUNJSA-N 2 1 387.568 3.526 20 30 GHEDMP C=CCN(CC[NH+]1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21)C(=O)OCC ZINC001209020401 1035152206 /nfs/dbraw/zinc/15/22/06/1035152206.db2.gz IOGFLYALIGMDJY-DXBBTUNJSA-N 2 1 387.568 3.526 20 30 GHEDMP C=CCN(CC[NH+]1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21)C(=O)OCC ZINC001209020401 1035152209 /nfs/dbraw/zinc/15/22/09/1035152209.db2.gz IOGFLYALIGMDJY-DXBBTUNJSA-N 2 1 387.568 3.526 20 30 GHEDMP C=CCN(CCN1C[C@H]2c3ccccc3[C@H]([N@@H+](C)C(C)C)[C@H]2C1)C(=O)OCC ZINC001209022287 1035152247 /nfs/dbraw/zinc/15/22/47/1035152247.db2.gz UPCXBRBNYAVWMC-FKBYEOEOSA-N 2 1 385.552 3.741 20 30 GHEDMP CCCCCCCCOC(=O)[C@H]([NH3+])Cc1cn([C@H]2CC[NH2+]C2)c2ccccc12 ZINC001246282399 1037275744 /nfs/dbraw/zinc/27/57/44/1037275744.db2.gz BOTMOWMSFUPYPK-PZJWPPBQSA-N 2 1 385.552 3.949 20 30 GHEDMP CCCCCCCC[C@@H](O)C[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001252127867 1038878722 /nfs/dbraw/zinc/87/87/22/1038878722.db2.gz GGCWVVVUOZCVAO-JOCHJYFZSA-N 2 1 390.616 3.839 20 30 GHEDMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](CCCc1ccc(C#N)cc1)CC2 ZINC001235019212 1040508565 /nfs/dbraw/zinc/50/85/65/1040508565.db2.gz NUFLEKLXQGVPTM-UHFFFAOYSA-N 2 1 375.516 3.636 20 30 GHEDMP N#Cc1cccc(C[N@@H+]([C@H]2CCN(Cc3ccccc3)C2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001255106240 1040786840 /nfs/dbraw/zinc/78/68/40/1040786840.db2.gz PLTWUTDVZGOHFN-SDHOMARFSA-N 2 1 388.559 3.905 20 30 GHEDMP N#Cc1ccc(C[N@@H+]([C@H]2CCN(Cc3ccccc3)C2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001255106196 1040787181 /nfs/dbraw/zinc/78/71/81/1040787181.db2.gz OIIQOYXQSNJENK-SDHOMARFSA-N 2 1 388.559 3.905 20 30 GHEDMP C=CCOC(=O)N1CCC(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001255135641 1040835704 /nfs/dbraw/zinc/83/57/04/1040835704.db2.gz KKFQSIFGMNGQTI-WBDAEOGXSA-N 2 1 397.563 3.806 20 30 GHEDMP C=CCN1CC[C@@]2(C[N@@H+](CCC[NH2+]C3CCCCC3)C[C@@H]2c2ccccc2)C1=O ZINC001235497841 1040961755 /nfs/dbraw/zinc/96/17/55/1040961755.db2.gz MNPRPWQETGGAIH-NOZRDPDXSA-N 2 1 395.591 3.803 20 30 GHEDMP CC1(C)[NH2+][C@@H](CC[N@@H+]2CC[C@@H](C(C#N)(c3ccccc3)c3ccccc3)C2)CO1 ZINC001236158281 1041580598 /nfs/dbraw/zinc/58/05/98/1041580598.db2.gz NYIJBABKSZIWLY-PKTZIBPZSA-N 2 1 389.543 3.933 20 30 GHEDMP CC1(C)[NH2+][C@@H](CC[N@H+]2CC[C@@H](C(C#N)(c3ccccc3)c3ccccc3)C2)CO1 ZINC001236158281 1041580605 /nfs/dbraw/zinc/58/06/05/1041580605.db2.gz NYIJBABKSZIWLY-PKTZIBPZSA-N 2 1 389.543 3.933 20 30 GHEDMP C#CCOc1ccc(C[N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)cc1OC ZINC001236382897 1041691414 /nfs/dbraw/zinc/69/14/14/1041691414.db2.gz QTIBFQWPCQBUFP-UHFFFAOYSA-N 2 1 396.506 3.848 20 30 GHEDMP C[C@H]1C[C@H](CC[NH2+]CCC(=O)Nc2cccc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC001261436927 1045998945 /nfs/dbraw/zinc/99/89/45/1045998945.db2.gz OWLUYJHSEHFHPQ-UGKGYDQZSA-N 2 1 390.531 3.777 20 30 GHEDMP C=CC[NH+]1CCC(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001327785905 1050277550 /nfs/dbraw/zinc/27/75/50/1050277550.db2.gz UZUPUFVETNJPBZ-NOTZXAQLSA-N 2 1 396.579 3.522 20 30 GHEDMP C[N@@H+]1CCC[C@@H](C[NH2+]CCC(=O)Nc2cccc(C#N)c2)[C@@H]1c1cccs1 ZINC001329140971 1050731334 /nfs/dbraw/zinc/73/13/34/1050731334.db2.gz IRCYNUCAQCDNFZ-LAUBAEHRSA-N 2 1 382.533 3.621 20 30 GHEDMP C[N@H+]1CCC[C@@H](C[NH2+]CCC(=O)Nc2cccc(C#N)c2)[C@@H]1c1cccs1 ZINC001329140971 1050731349 /nfs/dbraw/zinc/73/13/49/1050731349.db2.gz IRCYNUCAQCDNFZ-LAUBAEHRSA-N 2 1 382.533 3.621 20 30 GHEDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCc4cc(C#N)ccc43)cc2F)CC1 ZINC001348554380 1063209634 /nfs/dbraw/zinc/20/96/34/1063209634.db2.gz BRXLLWGRIFHSGA-QFIPXVFZSA-N 2 1 378.495 3.616 20 30 GHEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000511437212 837306668 /nfs/dbraw/zinc/30/66/68/837306668.db2.gz IOELTMVRTUSKHA-JOCHJYFZSA-N 2 1 398.595 3.627 20 30 GHEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185698860 861208023 /nfs/dbraw/zinc/20/80/23/861208023.db2.gz JMDUGYRVZUHORS-FHWLQOOXSA-N 2 1 389.609 3.894 20 30 GHEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185698860 861208037 /nfs/dbraw/zinc/20/80/37/861208037.db2.gz JMDUGYRVZUHORS-FHWLQOOXSA-N 2 1 389.609 3.894 20 30 GHEDMP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000481907818 862524106 /nfs/dbraw/zinc/52/41/06/862524106.db2.gz BTQVUECHROJMQS-XMMPIXPASA-N 2 1 375.516 3.948 20 30 GHEDMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1C#N ZINC000482138061 862724712 /nfs/dbraw/zinc/72/47/12/862724712.db2.gz BDRWYUYDNKFYMB-SJLPKXTDSA-N 2 1 376.932 3.640 20 30 GHEDMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000114475578 858054738 /nfs/dbraw/zinc/05/47/38/858054738.db2.gz SCTUZIQHMHPDQA-UHFFFAOYSA-N 2 1 376.932 3.594 20 30 GHEDMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000114475578 858054744 /nfs/dbraw/zinc/05/47/44/858054744.db2.gz SCTUZIQHMHPDQA-UHFFFAOYSA-N 2 1 376.932 3.594 20 30 GHEDMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(C4(C#N)CC4)cc3)C2)ccn1 ZINC000856548077 881362983 /nfs/dbraw/zinc/36/29/83/881362983.db2.gz GPQPXEAYQKTDKL-HSZRJFAPSA-N 2 1 390.531 3.742 20 30 GHEDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc(C4(C#N)CC4)cc3)C2)ccn1 ZINC000856548077 881363004 /nfs/dbraw/zinc/36/30/04/881363004.db2.gz GPQPXEAYQKTDKL-HSZRJFAPSA-N 2 1 390.531 3.742 20 30 GHEDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc(C4(C#N)CC4)cc3)C2)ccn1 ZINC000856548077 881363023 /nfs/dbraw/zinc/36/30/23/881363023.db2.gz GPQPXEAYQKTDKL-HSZRJFAPSA-N 2 1 390.531 3.742 20 30 GHEDMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000895683890 859816649 /nfs/dbraw/zinc/81/66/49/859816649.db2.gz XIZOMLWRWFOAEK-UHFFFAOYSA-N 2 1 380.540 3.557 20 30 GHEDMP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cc(C#N)ccc2Br)cc1 ZINC000921548829 860408687 /nfs/dbraw/zinc/40/86/87/860408687.db2.gz ZTVSUGFQPOUJSW-UHFFFAOYSA-N 2 1 388.309 3.551 20 30 GHEDMP Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1C ZINC000185665753 861157992 /nfs/dbraw/zinc/15/79/92/861157992.db2.gz KKPJSUVKQHHSOF-LEWJYISDSA-N 2 1 396.579 3.793 20 30 GHEDMP Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1C ZINC000185665753 861157996 /nfs/dbraw/zinc/15/79/96/861157996.db2.gz KKPJSUVKQHHSOF-LEWJYISDSA-N 2 1 396.579 3.793 20 30 GHEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000161707746 861178822 /nfs/dbraw/zinc/17/88/22/861178822.db2.gz IFSZSIALBPEPMF-QGZVFWFLSA-N 2 1 386.503 3.767 20 30 GHEDMP Cc1nc(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(Cl)cc1C#N ZINC000461960606 871350351 /nfs/dbraw/zinc/35/03/51/871350351.db2.gz VWUPLQUEFPPYAT-UHFFFAOYSA-N 2 1 389.975 3.548 20 30 GHEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(-c2ccccc2C#N)cc1 ZINC000441265631 871656139 /nfs/dbraw/zinc/65/61/39/871656139.db2.gz MGYWFCJPHWYEBZ-JRFVFWCSSA-N 2 1 375.516 3.909 20 30 GHEDMP C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859211703 883664145 /nfs/dbraw/zinc/66/41/45/883664145.db2.gz BHUQMBKRIFCFDB-HNNXBMFYSA-N 2 1 396.560 3.629 20 30 GHEDMP C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859211703 883664154 /nfs/dbraw/zinc/66/41/54/883664154.db2.gz BHUQMBKRIFCFDB-HNNXBMFYSA-N 2 1 396.560 3.629 20 30 GHEDMP C[C@@H](CC1(C#N)CCOCC1)Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000876866403 893367284 /nfs/dbraw/zinc/36/72/84/893367284.db2.gz FIFDQIKLKMGJET-IBGZPJMESA-N 2 1 384.568 3.975 20 30 GHEDMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC001137119617 893572660 /nfs/dbraw/zinc/57/26/60/893572660.db2.gz ZOPDFVOMNOHBGW-TUACAJSNSA-N 2 1 390.531 3.716 20 30 GHEDMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC001137119617 893572678 /nfs/dbraw/zinc/57/26/78/893572678.db2.gz ZOPDFVOMNOHBGW-TUACAJSNSA-N 2 1 390.531 3.716 20 30 GHEDMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC001137119617 893572701 /nfs/dbraw/zinc/57/27/01/893572701.db2.gz ZOPDFVOMNOHBGW-TUACAJSNSA-N 2 1 390.531 3.716 20 30 GHEDMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC001137119617 893572719 /nfs/dbraw/zinc/57/27/19/893572719.db2.gz ZOPDFVOMNOHBGW-TUACAJSNSA-N 2 1 390.531 3.716 20 30 GHEDMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172988652 906053037 /nfs/dbraw/zinc/05/30/37/906053037.db2.gz CNWUEXUXRVRCND-HAGHYFMRSA-N 2 1 390.572 3.617 20 30 GHEDMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172988652 906053047 /nfs/dbraw/zinc/05/30/47/906053047.db2.gz CNWUEXUXRVRCND-HAGHYFMRSA-N 2 1 390.572 3.617 20 30 GHEDMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172988652 906053060 /nfs/dbraw/zinc/05/30/60/906053060.db2.gz CNWUEXUXRVRCND-HAGHYFMRSA-N 2 1 390.572 3.617 20 30 GHEDMP C=CCOC1CCC([NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)CC1 ZINC001173322312 906372347 /nfs/dbraw/zinc/37/23/47/906372347.db2.gz BXKWARANLKBGOV-KBWCOIMZSA-N 2 1 388.552 3.849 20 30 GHEDMP N#CCC1CCC([N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)CC1 ZINC001173334131 906377263 /nfs/dbraw/zinc/37/72/63/906377263.db2.gz VDGDAABZCIJVBP-YXCLHDAWSA-N 2 1 385.596 3.919 20 30 GHEDMP N#CCC1CCC([NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)CC1 ZINC001173334131 906377281 /nfs/dbraw/zinc/37/72/81/906377281.db2.gz VDGDAABZCIJVBP-YXCLHDAWSA-N 2 1 385.596 3.919 20 30 GHEDMP N#CCC1CCC([NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)CC1 ZINC001173334131 906377286 /nfs/dbraw/zinc/37/72/86/906377286.db2.gz VDGDAABZCIJVBP-YXCLHDAWSA-N 2 1 385.596 3.919 20 30 GHEDMP CCOC(=O)C[C@H]1CC[C@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173634550 906585400 /nfs/dbraw/zinc/58/54/00/906585400.db2.gz VQNYROMSZDIAOS-CMOCDZPBSA-N 2 1 383.536 3.752 20 30 GHEDMP COc1ccccc1[C@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)[NH+]1CCCC1 ZINC000303774101 915120694 /nfs/dbraw/zinc/12/06/94/915120694.db2.gz FUEUYKRPGVUASV-NRFANRHFSA-N 2 1 378.520 3.748 20 30 GHEDMP Cc1ccc(CNC(Nc2ccccc2)=[NH+]CCC[N@@H+]2CCCN(C)CC2)cc1 ZINC000303977063 915346195 /nfs/dbraw/zinc/34/61/95/915346195.db2.gz KVBQFQYJYHSGAP-UHFFFAOYSA-N 2 1 393.579 3.580 20 30 GHEDMP Cc1ccc(CNC(Nc2ccccc2)=[NH+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000303977063 915346210 /nfs/dbraw/zinc/34/62/10/915346210.db2.gz KVBQFQYJYHSGAP-UHFFFAOYSA-N 2 1 393.579 3.580 20 30 GHEDMP Cc1ccc(CNC(Nc2ccccc2)=[NH+]CCCN2CCC[N@H+](C)CC2)cc1 ZINC000303977063 915346229 /nfs/dbraw/zinc/34/62/29/915346229.db2.gz KVBQFQYJYHSGAP-UHFFFAOYSA-N 2 1 393.579 3.580 20 30 GHEDMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000298526321 920631265 /nfs/dbraw/zinc/63/12/65/920631265.db2.gz LUVIZKJYZSNCQY-UHFFFAOYSA-N 2 1 399.564 3.608 20 30 GHEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000298526321 920631272 /nfs/dbraw/zinc/63/12/72/920631272.db2.gz LUVIZKJYZSNCQY-UHFFFAOYSA-N 2 1 399.564 3.608 20 30 GHEDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC000411686130 926642770 /nfs/dbraw/zinc/64/27/70/926642770.db2.gz CMJRGWYQQHZGHD-QFIPXVFZSA-N 2 1 390.531 3.777 20 30 GHEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC000411686130 926642775 /nfs/dbraw/zinc/64/27/75/926642775.db2.gz CMJRGWYQQHZGHD-QFIPXVFZSA-N 2 1 390.531 3.777 20 30 GHEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1nc2ccccc2cc1C#N ZINC000751110559 928033896 /nfs/dbraw/zinc/03/38/96/928033896.db2.gz ANWYGNFNHPJFTD-UHFFFAOYSA-N 2 1 391.563 3.739 20 30 GHEDMP COc1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c(C#N)c1 ZINC001137706916 935736637 /nfs/dbraw/zinc/73/66/37/935736637.db2.gz WKIGGQLJPCNWIP-VXKWHMMOSA-N 2 1 375.516 3.911 20 30 GHEDMP N#Cc1cc(Cl)nc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1 ZINC001155358126 1032517134 /nfs/dbraw/zinc/51/71/34/1032517134.db2.gz OZIPUNUFZLJDEH-IBGZPJMESA-N 2 1 395.938 3.520 20 30 GHEDMP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(F)cc1C#N)CC2 ZINC001141165643 1023995437 /nfs/dbraw/zinc/99/54/37/1023995437.db2.gz FIQJBLNUPYNIGT-HSZRJFAPSA-N 2 1 393.506 3.953 20 30 GHEDMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(F)cc1C#N)CC2 ZINC001141165643 1023995440 /nfs/dbraw/zinc/99/54/40/1023995440.db2.gz FIQJBLNUPYNIGT-HSZRJFAPSA-N 2 1 393.506 3.953 20 30 GHEDMP N#Cc1cc2c(cccc2NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)[nH]1 ZINC001162935740 1025973425 /nfs/dbraw/zinc/97/34/25/1025973425.db2.gz UNSFEHRAUZYDTD-FQEVSTJZSA-N 2 1 399.542 3.953 20 30 GHEDMP CN(CCC#N)c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001231821172 1034928921 /nfs/dbraw/zinc/92/89/21/1034928921.db2.gz ROXIJPYCUKIECD-ZEQRLZLVSA-N 2 1 388.559 3.990 20 30 GHEDMP CN(CCC#N)c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001231821172 1034928923 /nfs/dbraw/zinc/92/89/23/1034928923.db2.gz ROXIJPYCUKIECD-ZEQRLZLVSA-N 2 1 388.559 3.990 20 30 GHEDMP CN(CCC#N)c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001231821172 1034928925 /nfs/dbraw/zinc/92/89/25/1034928925.db2.gz ROXIJPYCUKIECD-ZEQRLZLVSA-N 2 1 388.559 3.990 20 30 GHEDMP N#Cc1ccc(CC[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)cc1 ZINC001208922157 1035090142 /nfs/dbraw/zinc/09/01/42/1035090142.db2.gz CUFZNRXFLBJOLW-UHFFFAOYSA-N 2 1 381.545 3.529 20 30 GHEDMP N#Cc1ccc(CC[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)cc1 ZINC001208922157 1035090148 /nfs/dbraw/zinc/09/01/48/1035090148.db2.gz CUFZNRXFLBJOLW-UHFFFAOYSA-N 2 1 381.545 3.529 20 30 GHEDMP C=CCOC[C@H]1CCC[C@@]12C[N@H+](C[C@H]1CCC[NH+](Cc3ccccc3)C1)CCO2 ZINC001208937990 1035105037 /nfs/dbraw/zinc/10/50/37/1035105037.db2.gz YWHINDIHAOISOR-ISJGIBHGSA-N 2 1 398.591 3.972 20 30 GHEDMP C=CCOC[C@H]1CCC[C@@]12C[N@@H+](C[C@H]1CCC[NH+](Cc3ccccc3)C1)CCO2 ZINC001208937990 1035105041 /nfs/dbraw/zinc/10/50/41/1035105041.db2.gz YWHINDIHAOISOR-ISJGIBHGSA-N 2 1 398.591 3.972 20 30 GHEDMP C=CCOC[C@H]1CCC[C@@]12C[NH+](C[C@H]1CCC[N@H+](Cc3ccccc3)C1)CCO2 ZINC001208937990 1035105045 /nfs/dbraw/zinc/10/50/45/1035105045.db2.gz YWHINDIHAOISOR-ISJGIBHGSA-N 2 1 398.591 3.972 20 30 GHEDMP C=CCOC[C@H]1CCC[C@@]12C[NH+](C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CCO2 ZINC001208937990 1035105049 /nfs/dbraw/zinc/10/50/49/1035105049.db2.gz YWHINDIHAOISOR-ISJGIBHGSA-N 2 1 398.591 3.972 20 30 GHEDMP C=CCN(CC[NH+]1CCC2(CC[C@@H]2[N@@H+](C)Cc2ccco2)CC1)C(=O)OCC ZINC001209019784 1035152439 /nfs/dbraw/zinc/15/24/39/1035152439.db2.gz SUXVXPJOBDGWRU-FQEVSTJZSA-N 2 1 389.540 3.601 20 30 GHEDMP CN(C)c1ccc(CN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(F)c1C#N ZINC001233101921 1038879468 /nfs/dbraw/zinc/87/94/68/1038879468.db2.gz JTAMJXMPPOIQPO-LJQANCHMSA-N 2 1 380.511 3.717 20 30 GHEDMP C[N@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(C#N)cc1O)CC2 ZINC001233384760 1039210478 /nfs/dbraw/zinc/21/04/78/1039210478.db2.gz HXXXZQCQSPOARG-LJQANCHMSA-N 2 1 397.544 3.581 20 30 GHEDMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(C#N)cc1O)CC2 ZINC001233384760 1039210483 /nfs/dbraw/zinc/21/04/83/1039210483.db2.gz HXXXZQCQSPOARG-LJQANCHMSA-N 2 1 397.544 3.581 20 30 GHEDMP C=CCCCCCC[C@@H](O)C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC001253236371 1039491774 /nfs/dbraw/zinc/49/17/74/1039491774.db2.gz SOWHITOXZJTWNU-RBBKRZOGSA-N 2 1 394.600 3.613 20 30 GHEDMP C=CCCCCCC[C@@H](O)C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC001253236371 1039491775 /nfs/dbraw/zinc/49/17/75/1039491775.db2.gz SOWHITOXZJTWNU-RBBKRZOGSA-N 2 1 394.600 3.613 20 30 GHEDMP CN(CCC#N)c1ccc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1 ZINC001235375369 1040886468 /nfs/dbraw/zinc/88/64/68/1040886468.db2.gz ZNURZLSCNDLTRS-NOZRDPDXSA-N 2 1 388.559 3.790 20 30 GHEDMP CCOC(=O)C1CCC([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001255256607 1040929381 /nfs/dbraw/zinc/92/93/81/1040929381.db2.gz DXSGLHSMYYSENU-KYDXEYDTSA-N 2 1 383.536 3.752 20 30 GHEDMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001255959887 1041437852 /nfs/dbraw/zinc/43/78/52/1041437852.db2.gz BGWPAMATYGWBJV-XUZZJYLKSA-N 2 1 398.595 3.597 20 30 GHEDMP CCCCCCCOc1ccc(C[NH+]2CCC([C@@H]([NH3+])C(=O)OC)CC2)cc1 ZINC001236065476 1041519134 /nfs/dbraw/zinc/51/91/34/1041519134.db2.gz AOBFUWRRFZFHNO-OAQYLSRUSA-N 2 1 376.541 3.748 20 30 GHEDMP CCc1cc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)ccc1C#N ZINC001238763204 1042719066 /nfs/dbraw/zinc/71/90/66/1042719066.db2.gz QAVURHOXZBGJSH-QFIPXVFZSA-N 2 1 393.531 3.969 20 30 GHEDMP C=CCOC(=O)N1CCC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256535310 1043477382 /nfs/dbraw/zinc/47/73/82/1043477382.db2.gz FAACQWLAPAQWCI-SIKLNZKXSA-N 2 1 385.552 3.664 20 30 GHEDMP C=CCOC(=O)N1CCC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256535310 1043477396 /nfs/dbraw/zinc/47/73/96/1043477396.db2.gz FAACQWLAPAQWCI-SIKLNZKXSA-N 2 1 385.552 3.664 20 30 GHEDMP CC(C)(C)OC(=O)N1CCC([NH+]2CCC([NH2+]C3CCC(C#N)CC3)CC2)CC1 ZINC001256950289 1043770467 /nfs/dbraw/zinc/77/04/67/1043770467.db2.gz AOFFEFXOYMZILJ-UHFFFAOYSA-N 2 1 390.572 3.522 20 30 GHEDMP C=C(CC[NH+](C)C)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC001295583306 1045059202 /nfs/dbraw/zinc/05/92/02/1045059202.db2.gz RUJQQLQATIDKLO-UHFFFAOYSA-N 2 1 384.351 3.582 20 30 GHEDMP C[N@@H+]1CCC[C@H](C[NH2+]CCC(=O)Nc2cccc(C#N)c2)[C@H]1c1cccs1 ZINC001329140975 1050731891 /nfs/dbraw/zinc/73/18/91/1050731891.db2.gz IRCYNUCAQCDNFZ-UTKZUKDTSA-N 2 1 382.533 3.621 20 30 GHEDMP C[N@H+]1CCC[C@H](C[NH2+]CCC(=O)Nc2cccc(C#N)c2)[C@H]1c1cccs1 ZINC001329140975 1050731906 /nfs/dbraw/zinc/73/19/06/1050731906.db2.gz IRCYNUCAQCDNFZ-UTKZUKDTSA-N 2 1 382.533 3.621 20 30 GHEDMP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000728571596 834789438 /nfs/dbraw/zinc/78/94/38/834789438.db2.gz GIRQFOLCRDGTDK-HXUWFJFHSA-N 2 1 384.568 3.682 20 30 GHEDMP C=CCOc1ccc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1Cl ZINC000685457308 835021924 /nfs/dbraw/zinc/02/19/24/835021924.db2.gz AMLNFNVFZAHPKX-IBGZPJMESA-N 2 1 377.960 3.505 20 30 GHEDMP N#CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000248405790 845303530 /nfs/dbraw/zinc/30/35/30/845303530.db2.gz RTKRNFGTXKWVCR-YFNKSVMNSA-N 2 1 375.516 3.979 20 30 GHEDMP C=CCCC1(CNC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)CCCC1 ZINC000617417849 851891954 /nfs/dbraw/zinc/89/19/54/851891954.db2.gz IUVWUGGLWYEPGP-UHFFFAOYSA-N 2 1 375.601 3.826 20 30 GHEDMP C=CC[NH+]1CCC(NC(=O)N(CC)[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000473961368 854440439 /nfs/dbraw/zinc/44/04/39/854440439.db2.gz WNIPSMUJBSWJKU-UGKGYDQZSA-N 2 1 384.568 3.504 20 30 GHEDMP CCN(CC)c1ccc(/C=[NH+]/C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(O)c1 ZINC000760976912 856888798 /nfs/dbraw/zinc/88/87/98/856888798.db2.gz AICLBJYVBTVTND-DZQSVEARSA-N 2 1 395.547 3.948 20 30 GHEDMP C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC[C@H]1CCCC[NH+]1C ZINC000173642303 857048953 /nfs/dbraw/zinc/04/89/53/857048953.db2.gz BWMATNDWDCINOW-MRXNPFEDSA-N 2 1 388.581 3.633 20 30 GHEDMP C[NH+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC[C@H]1CCCC[N@@H+]1C ZINC000173642303 857048960 /nfs/dbraw/zinc/04/89/60/857048960.db2.gz BWMATNDWDCINOW-MRXNPFEDSA-N 2 1 388.581 3.633 20 30 GHEDMP C[NH+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC[C@H]1CCCC[N@H+]1C ZINC000173642303 857048968 /nfs/dbraw/zinc/04/89/68/857048968.db2.gz BWMATNDWDCINOW-MRXNPFEDSA-N 2 1 388.581 3.633 20 30 GHEDMP C=CCOc1ccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)CC)c3)C2)cc1 ZINC000856553545 881383990 /nfs/dbraw/zinc/38/39/90/881383990.db2.gz BYQZIQKQWYRPGA-HSZRJFAPSA-N 2 1 381.520 3.751 20 30 GHEDMP C=CCOc1ccc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)CC)c3)C2)cc1 ZINC000856553545 881384012 /nfs/dbraw/zinc/38/40/12/881384012.db2.gz BYQZIQKQWYRPGA-HSZRJFAPSA-N 2 1 381.520 3.751 20 30 GHEDMP C=CCOc1ccc(C[N@@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)CC)c3)C2)cc1 ZINC000856553545 881384030 /nfs/dbraw/zinc/38/40/30/881384030.db2.gz BYQZIQKQWYRPGA-HSZRJFAPSA-N 2 1 381.520 3.751 20 30 GHEDMP CCC[N@H+](Cc1ccc(OCC#N)cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000733996059 863909920 /nfs/dbraw/zinc/90/99/20/863909920.db2.gz KIIYRXVTAXASNZ-UHFFFAOYSA-N 2 1 393.535 3.877 20 30 GHEDMP CCC[N@@H+](Cc1ccc(OCC#N)cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000733996059 863909937 /nfs/dbraw/zinc/90/99/37/863909937.db2.gz KIIYRXVTAXASNZ-UHFFFAOYSA-N 2 1 393.535 3.877 20 30 GHEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898518692 864078928 /nfs/dbraw/zinc/07/89/28/864078928.db2.gz JMBIPUZHKHZWGS-FCJDFRRUSA-N 2 1 381.564 3.976 20 30 GHEDMP C[C@@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000186323630 864791040 /nfs/dbraw/zinc/79/10/40/864791040.db2.gz VOQQEIAPNAPOLB-NTKDMRAZSA-N 2 1 376.548 3.804 20 30 GHEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000183145861 866254795 /nfs/dbraw/zinc/25/47/95/866254795.db2.gz GZIQUVASMKOKGX-AWEZNQCLSA-N 2 1 393.878 3.995 20 30 GHEDMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000524184673 868674231 /nfs/dbraw/zinc/67/42/31/868674231.db2.gz NGVIRFTWDXPUIR-SFHVURJKSA-N 2 1 388.531 3.513 20 30 GHEDMP N#Cc1cccnc1OC1CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000525833583 871518071 /nfs/dbraw/zinc/51/80/71/871518071.db2.gz VEFUFKHYMUAHFL-UHFFFAOYSA-N 2 1 390.531 3.897 20 30 GHEDMP N#Cc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000549868362 875715254 /nfs/dbraw/zinc/71/52/54/875715254.db2.gz UYRMCJARNYRWCJ-LJQANCHMSA-N 2 1 381.545 3.638 20 30 GHEDMP COc1cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000152472156 878672929 /nfs/dbraw/zinc/67/29/29/878672929.db2.gz ZLPKBZNYYIJAHW-QFIPXVFZSA-N 2 1 393.531 3.919 20 30 GHEDMP COc1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000152472156 878672946 /nfs/dbraw/zinc/67/29/46/878672946.db2.gz ZLPKBZNYYIJAHW-QFIPXVFZSA-N 2 1 393.531 3.919 20 30 GHEDMP COc1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000152472156 878672955 /nfs/dbraw/zinc/67/29/55/878672955.db2.gz ZLPKBZNYYIJAHW-QFIPXVFZSA-N 2 1 393.531 3.919 20 30 GHEDMP COc1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000152472156 878672967 /nfs/dbraw/zinc/67/29/67/878672967.db2.gz ZLPKBZNYYIJAHW-QFIPXVFZSA-N 2 1 393.531 3.919 20 30 GHEDMP C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498858513 885958022 /nfs/dbraw/zinc/95/80/22/885958022.db2.gz VBRBSYZHXTWNDS-GMAHTHKFSA-N 2 1 386.580 3.599 20 30 GHEDMP C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498858513 885958036 /nfs/dbraw/zinc/95/80/36/885958036.db2.gz VBRBSYZHXTWNDS-GMAHTHKFSA-N 2 1 386.580 3.599 20 30 GHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)CC1 ZINC000533089440 889754923 /nfs/dbraw/zinc/75/49/23/889754923.db2.gz KDGLMHQZUODLFT-PMACEKPBSA-N 2 1 395.547 3.614 20 30 GHEDMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1ccc(OCC#N)cc1)CC2 ZINC001137117036 893504646 /nfs/dbraw/zinc/50/46/46/893504646.db2.gz ZSJBPYMGXKLNBQ-UHFFFAOYSA-N 2 1 390.531 3.861 20 30 GHEDMP C=C(C)C[NH+]1CCC(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000111507621 898807929 /nfs/dbraw/zinc/80/79/29/898807929.db2.gz MTIUGGBQTCKXIR-NOTZXAQLSA-N 2 1 396.579 3.522 20 30 GHEDMP N#Cc1ccc(C(=O)N2CCC([N@H+](C3CCCC3)[C@H]3CC[C@H]([NH3+])CC3)CC2)cc1 ZINC001173429660 906466544 /nfs/dbraw/zinc/46/65/44/906466544.db2.gz URLMMMLVNVYXTM-AQYVVDRMSA-N 2 1 394.563 3.677 20 30 GHEDMP C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179389721 906491452 /nfs/dbraw/zinc/49/14/52/906491452.db2.gz NVCWGPBPPHBYEA-GOSISDBHSA-N 2 1 391.519 3.519 20 30 GHEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000633637690 908409800 /nfs/dbraw/zinc/40/98/00/908409800.db2.gz YWLKWOFDSFATSI-JOCHJYFZSA-N 2 1 398.595 3.628 20 30 GHEDMP C=CCOc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1Cl ZINC001178462351 909064341 /nfs/dbraw/zinc/06/43/41/909064341.db2.gz CCVUMUZJBMSTRA-FQEVSTJZSA-N 2 1 386.923 3.761 20 30 GHEDMP CC[C@H](C)c1ccc(NC(=[NH2+])NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000303780134 915125982 /nfs/dbraw/zinc/12/59/82/915125982.db2.gz LBPWXFZEWYRSIN-SFHVURJKSA-N 2 1 380.536 3.959 20 30 GHEDMP CCc1cccc(CC)c1NC(=[NH2+])NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000303784604 915127850 /nfs/dbraw/zinc/12/78/50/915127850.db2.gz PKXWOVXRUHTQDG-UHFFFAOYSA-N 2 1 380.536 3.570 20 30 GHEDMP CC[NH+](CC)[C@@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)c1cccc(OC)c1 ZINC000304479037 915516465 /nfs/dbraw/zinc/51/64/65/915516465.db2.gz IUICZDNHELXXDL-RTWAWAEBSA-N 2 1 396.535 3.506 20 30 GHEDMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)cc1 ZINC001204270128 1032713258 /nfs/dbraw/zinc/71/32/58/1032713258.db2.gz PVDYBHIYPCJQBE-DEOSSOPVSA-N 2 1 393.531 3.932 20 30 GHEDMP C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccc(-n3cc[nH+]c3C)cc1)CC2 ZINC001138549689 1024997041 /nfs/dbraw/zinc/99/70/41/1024997041.db2.gz SNPZAENRWWGGBD-HSZRJFAPSA-N 2 1 378.520 3.714 20 30 GHEDMP C=CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1ccc(-n3cc[nH+]c3C)cc1)CC2 ZINC001138549689 1024997051 /nfs/dbraw/zinc/99/70/51/1024997051.db2.gz SNPZAENRWWGGBD-HSZRJFAPSA-N 2 1 378.520 3.714 20 30 GHEDMP N#Cc1ccnc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1Cl ZINC001162933654 1025971297 /nfs/dbraw/zinc/97/12/97/1025971297.db2.gz QDHRXXFJRBBQCC-IBGZPJMESA-N 2 1 395.938 3.520 20 30 GHEDMP N#CCc1c(F)cccc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162940949 1025977853 /nfs/dbraw/zinc/97/78/53/1025977853.db2.gz BQSYJEPRTJVJLO-HXUWFJFHSA-N 2 1 392.522 3.805 20 30 GHEDMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001139527812 1026384289 /nfs/dbraw/zinc/38/42/89/1026384289.db2.gz POYAWAJPSPDYHK-XKCSPQBFSA-N 2 1 378.495 3.825 20 30 GHEDMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]21 ZINC001139527812 1026384299 /nfs/dbraw/zinc/38/42/99/1026384299.db2.gz POYAWAJPSPDYHK-XKCSPQBFSA-N 2 1 378.495 3.825 20 30 GHEDMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000840962454 1027995978 /nfs/dbraw/zinc/99/59/78/1027995978.db2.gz COXDQZBJCKXWST-BPUDTRNYSA-N 2 1 393.531 3.604 20 30 GHEDMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000840962454 1027995983 /nfs/dbraw/zinc/99/59/83/1027995983.db2.gz COXDQZBJCKXWST-BPUDTRNYSA-N 2 1 393.531 3.604 20 30 GHEDMP C=CCN1C(=O)CCC[C@]12CCC[N@@H+](C[C@@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208938100 1035104350 /nfs/dbraw/zinc/10/43/50/1035104350.db2.gz UVSBOAPMPWHGDX-ILBGXUMGSA-N 2 1 395.591 3.932 20 30 GHEDMP C=CCN1C(=O)CCC[C@]12CCC[NH+](C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001208938100 1035104355 /nfs/dbraw/zinc/10/43/55/1035104355.db2.gz UVSBOAPMPWHGDX-ILBGXUMGSA-N 2 1 395.591 3.932 20 30 GHEDMP C=CCN1C(=O)CCC[C@]12CCC[NH+](C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208938100 1035104358 /nfs/dbraw/zinc/10/43/58/1035104358.db2.gz UVSBOAPMPWHGDX-ILBGXUMGSA-N 2 1 395.591 3.932 20 30 GHEDMP CCCCCCCCCCCCOCCOC[C@H](O)C[N@@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001246029280 1037146117 /nfs/dbraw/zinc/14/61/17/1037146117.db2.gz VYIPHYQCYISOAL-YTFSRNRJSA-N 2 1 398.632 3.595 20 30 GHEDMP CCCCCCCCCCCCOCCOC[C@H](O)C[N@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001246029280 1037146131 /nfs/dbraw/zinc/14/61/31/1037146131.db2.gz VYIPHYQCYISOAL-YTFSRNRJSA-N 2 1 398.632 3.595 20 30 GHEDMP C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@H]1CC[NH2+][C@@H](CCCC)C1)CC2 ZINC001246525796 1037457062 /nfs/dbraw/zinc/45/70/62/1037457062.db2.gz LHQPCKKCKMTCSE-PMACEKPBSA-N 2 1 377.573 3.798 20 30 GHEDMP C=CCN1CC[C@@]2(C[N@@H+]([C@@H]3CC[NH2+][C@@H](CCCC)C3)C[C@@H]2c2ccccc2)C1=O ZINC001246704496 1037558198 /nfs/dbraw/zinc/55/81/98/1037558198.db2.gz WAASHXGGNDRSNS-KBOSCXGNSA-N 2 1 395.591 3.801 20 30 GHEDMP N#Cc1ccc(-c2noc([C@@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)c2ccccc12 ZINC001247904058 1038474983 /nfs/dbraw/zinc/47/49/83/1038474983.db2.gz DMXYQHWRKPHZMF-QGZVFWFLSA-N 2 1 387.487 3.693 20 30 GHEDMP Cc1cc(C#N)ccc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001233081136 1038847051 /nfs/dbraw/zinc/84/70/51/1038847051.db2.gz PKZDYSNKHXRHCW-UHFFFAOYSA-N 2 1 375.516 3.734 20 30 GHEDMP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(C#N)cc1O)CC2 ZINC001233384959 1039211113 /nfs/dbraw/zinc/21/11/13/1039211113.db2.gz OUPRBWARNCBKID-QFIPXVFZSA-N 2 1 391.515 3.519 20 30 GHEDMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(C#N)cc1O)CC2 ZINC001233384959 1039211131 /nfs/dbraw/zinc/21/11/31/1039211131.db2.gz OUPRBWARNCBKID-QFIPXVFZSA-N 2 1 391.515 3.519 20 30 GHEDMP N#Cc1ccc(C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001254588200 1040362298 /nfs/dbraw/zinc/36/22/98/1040362298.db2.gz WKFCOZPMTINIOF-MQSCRBSSSA-N 2 1 390.487 3.706 20 30 GHEDMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4ccccc4CC#N)CC3)C2)cc1 ZINC001235519975 1040973705 /nfs/dbraw/zinc/97/37/05/1040973705.db2.gz XKKYIGPJBPDVNK-UHFFFAOYSA-N 2 1 389.543 3.928 20 30 GHEDMP CCCCCCCCCCCCNC(=O)N1CCC[C@@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001239291650 1042803776 /nfs/dbraw/zinc/80/37/76/1042803776.db2.gz RAVJCYIXRQMUNP-OAQYLSRUSA-N 2 1 380.621 3.972 20 30 GHEDMP C[C@H]1C[C@H]([NH+]2CCCN(c3ccc(C#N)cn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256553159 1043521017 /nfs/dbraw/zinc/52/10/17/1043521017.db2.gz GCXJHBQXFWDHAG-NZQKXSOJSA-N 2 1 389.547 3.518 20 30 GHEDMP C[C@H]1C[C@H]([NH+]2CCCN(c3ccc(C#N)cn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256553159 1043521020 /nfs/dbraw/zinc/52/10/20/1043521020.db2.gz GCXJHBQXFWDHAG-NZQKXSOJSA-N 2 1 389.547 3.518 20 30 GHEDMP C[C@H]1C[C@H]([N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)CC[NH+]1Cc1ccccc1 ZINC001256553159 1043521028 /nfs/dbraw/zinc/52/10/28/1043521028.db2.gz GCXJHBQXFWDHAG-NZQKXSOJSA-N 2 1 389.547 3.518 20 30 GHEDMP C[C@H]1C[C@H]([N@H+]2CCCN(c3ccc(C#N)cn3)CC2)CC[NH+]1Cc1ccccc1 ZINC001256553159 1043521040 /nfs/dbraw/zinc/52/10/40/1043521040.db2.gz GCXJHBQXFWDHAG-NZQKXSOJSA-N 2 1 389.547 3.518 20 30 GHEDMP C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](C1CCN(CCc3ccccc3)CC1)C2 ZINC001258142249 1044429909 /nfs/dbraw/zinc/42/99/09/1044429909.db2.gz DMGDYHMZXSDUPY-RPBOFIJWSA-N 2 1 398.591 3.767 20 30 GHEDMP C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258142249 1044429911 /nfs/dbraw/zinc/42/99/11/1044429911.db2.gz DMGDYHMZXSDUPY-RPBOFIJWSA-N 2 1 398.591 3.767 20 30 GHEDMP C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258142249 1044429930 /nfs/dbraw/zinc/42/99/30/1044429930.db2.gz DMGDYHMZXSDUPY-RPBOFIJWSA-N 2 1 398.591 3.767 20 30 GHEDMP CN1CC[NH+](Cc2cccc(C[NH2+][C@H]3CCCCc4cc(C#N)ccc43)c2)CC1 ZINC001322475774 1056721811 /nfs/dbraw/zinc/72/18/11/1056721811.db2.gz NCJGQOJAIZSQLT-VWLOTQADSA-N 2 1 388.559 3.863 20 30 GHEDMP C[C@@H]1C[N@H+](Cc2ccc(C[NH+](C)CCOc3ccccc3C#N)cc2)C[C@H](C)O1 ZINC001460318601 1068922711 /nfs/dbraw/zinc/92/27/11/1068922711.db2.gz RSUKXIQOKPMUFN-BGYRXZFFSA-N 2 1 393.531 3.678 20 30 GHEDMP C[C@@H]1C[NH+](Cc2ccc(C[N@H+](C)CCOc3ccccc3C#N)cc2)C[C@H](C)O1 ZINC001460318601 1068922713 /nfs/dbraw/zinc/92/27/13/1068922713.db2.gz RSUKXIQOKPMUFN-BGYRXZFFSA-N 2 1 393.531 3.678 20 30 GHEDMP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+](C)CCOc3ccccc3C#N)cc2)C[C@H](C)O1 ZINC001460318601 1068922714 /nfs/dbraw/zinc/92/27/14/1068922714.db2.gz RSUKXIQOKPMUFN-BGYRXZFFSA-N 2 1 393.531 3.678 20 30 GHEDMP CCCC[N@@H+](C[C@H](O)COc1ccccc1C#N)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001473683254 1074084700 /nfs/dbraw/zinc/08/47/00/1074084700.db2.gz MMFGSJREOGVXFQ-FQEVSTJZSA-N 2 1 387.568 3.709 20 30 GHEDMP C=CCOc1ccccc1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000378002054 838265101 /nfs/dbraw/zinc/26/51/01/838265101.db2.gz LGDGZVOVXWILHA-UHFFFAOYSA-N 2 1 399.579 3.520 20 30 GHEDMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CCCO1 ZINC000432370434 842229869 /nfs/dbraw/zinc/22/98/69/842229869.db2.gz ZUEATDJHDSBERA-FQEVSTJZSA-N 2 1 393.531 3.728 20 30 GHEDMP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000104155009 845809007 /nfs/dbraw/zinc/80/90/07/845809007.db2.gz GEQUXYSPLBRNCV-SFHVURJKSA-N 2 1 386.496 3.641 20 30 GHEDMP CC[NH+](CC)CC1CC[NH+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1 ZINC000515137274 850727848 /nfs/dbraw/zinc/72/78/48/850727848.db2.gz BJBKZSIVRPRAGQ-UHFFFAOYSA-N 2 1 390.959 3.640 20 30 GHEDMP C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000519282514 850862180 /nfs/dbraw/zinc/86/21/80/850862180.db2.gz AWAHGJNNHWWMFE-HXUWFJFHSA-N 2 1 398.595 3.758 20 30 GHEDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C(=O)Nc1cccc(C#N)c1 ZINC000515756777 851438687 /nfs/dbraw/zinc/43/86/87/851438687.db2.gz CQOZYCCATPAILC-MOPGFXCFSA-N 2 1 390.531 3.907 20 30 GHEDMP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000481911241 862526274 /nfs/dbraw/zinc/52/62/74/862526274.db2.gz PTVSAEGPWBJSMS-DEOSSOPVSA-N 2 1 375.516 3.948 20 30 GHEDMP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(C(=O)Nc3cccc(F)c3)CC2)CC1 ZINC000328694938 854512012 /nfs/dbraw/zinc/51/20/12/854512012.db2.gz GFKXQJLQMSTVIL-UHFFFAOYSA-N 2 1 390.503 3.567 20 30 GHEDMP C#CCCOc1ccc(C[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000733324389 862866870 /nfs/dbraw/zinc/86/68/70/862866870.db2.gz VLPNDLQHPMAYKG-RUZDIDTESA-N 2 1 391.559 3.557 20 30 GHEDMP CCC[N@H+](Cc1ccc(C#N)c(OC)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000442878043 858198715 /nfs/dbraw/zinc/19/87/15/858198715.db2.gz CQEINSIESGKCQS-UHFFFAOYSA-N 2 1 393.535 3.855 20 30 GHEDMP CCC[N@@H+](Cc1ccc(C#N)c(OC)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000442878043 858198718 /nfs/dbraw/zinc/19/87/18/858198718.db2.gz CQEINSIESGKCQS-UHFFFAOYSA-N 2 1 393.535 3.855 20 30 GHEDMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(C4(C#N)CC4)cc3)CC2)oc1C ZINC000594925228 858305679 /nfs/dbraw/zinc/30/56/79/858305679.db2.gz QSNCTHDDJIVSIC-UHFFFAOYSA-N 2 1 378.520 3.848 20 30 GHEDMP N#CCCn1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(-c2ccccc2)n1 ZINC000596059039 858767354 /nfs/dbraw/zinc/76/73/54/858767354.db2.gz MBDJDIDOMGNAJO-HXUWFJFHSA-N 2 1 377.536 3.675 20 30 GHEDMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCN1C ZINC000123811182 860092953 /nfs/dbraw/zinc/09/29/53/860092953.db2.gz BNDCFEUTXGQZBZ-JKSUJKDBSA-N 2 1 388.581 3.632 20 30 GHEDMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[N@@H+]1C ZINC000123811182 860092962 /nfs/dbraw/zinc/09/29/62/860092962.db2.gz BNDCFEUTXGQZBZ-JKSUJKDBSA-N 2 1 388.581 3.632 20 30 GHEDMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[N@H+]1C ZINC000123811182 860092968 /nfs/dbraw/zinc/09/29/68/860092968.db2.gz BNDCFEUTXGQZBZ-JKSUJKDBSA-N 2 1 388.581 3.632 20 30 GHEDMP C[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[NH+]1C ZINC000123811182 860092977 /nfs/dbraw/zinc/09/29/77/860092977.db2.gz BNDCFEUTXGQZBZ-JKSUJKDBSA-N 2 1 388.581 3.632 20 30 GHEDMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[NH+]1C ZINC000123811182 860092988 /nfs/dbraw/zinc/09/29/88/860092988.db2.gz BNDCFEUTXGQZBZ-JKSUJKDBSA-N 2 1 388.581 3.632 20 30 GHEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)N(C)C2(C#N)CCCCC2)cc1 ZINC000183142190 863484318 /nfs/dbraw/zinc/48/43/18/863484318.db2.gz OMLQMHJSHSJJSK-KRWDZBQOSA-N 2 1 379.508 3.516 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OCC ZINC000608061545 864953807 /nfs/dbraw/zinc/95/38/07/864953807.db2.gz YEJMJYVLJWMJDF-GDBMZVCRSA-N 2 1 397.357 3.985 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OCC ZINC000608061545 864953813 /nfs/dbraw/zinc/95/38/13/864953813.db2.gz YEJMJYVLJWMJDF-GDBMZVCRSA-N 2 1 397.357 3.985 20 30 GHEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)cc1 ZINC000183152742 866254947 /nfs/dbraw/zinc/25/49/47/866254947.db2.gz MPQMCBGHMXUTEB-CQSZACIVSA-N 2 1 393.878 3.995 20 30 GHEDMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1)CC(C)C ZINC000539096213 871305752 /nfs/dbraw/zinc/30/57/52/871305752.db2.gz BODQJOPYTDYHMX-DENIHFKCSA-N 2 1 378.605 3.509 20 30 GHEDMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cccc(C#N)c2F)CC1 ZINC000539315385 871675835 /nfs/dbraw/zinc/67/58/35/871675835.db2.gz UZSGXQKUQMNBTI-INIZCTEOSA-N 2 1 384.474 3.829 20 30 GHEDMP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1C#N ZINC000850402193 876882880 /nfs/dbraw/zinc/88/28/80/876882880.db2.gz GIKCEJMLBYPOLL-JOCHJYFZSA-N 2 1 375.516 3.959 20 30 GHEDMP Cc1ccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)cc1C#N ZINC000859362962 883774350 /nfs/dbraw/zinc/77/43/50/883774350.db2.gz CNIUMPDHXNZFFU-QHCPKHFHSA-N 2 1 378.520 3.755 20 30 GHEDMP Cc1ccc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cc1C#N ZINC000859362962 883774363 /nfs/dbraw/zinc/77/43/63/883774363.db2.gz CNIUMPDHXNZFFU-QHCPKHFHSA-N 2 1 378.520 3.755 20 30 GHEDMP Cc1ccc(C[N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cc1C#N ZINC000859362962 883774376 /nfs/dbraw/zinc/77/43/76/883774376.db2.gz CNIUMPDHXNZFFU-QHCPKHFHSA-N 2 1 378.520 3.755 20 30 GHEDMP C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000729682731 888511277 /nfs/dbraw/zinc/51/12/77/888511277.db2.gz BVDOSFQZQKPKKY-INIZCTEOSA-N 2 1 379.342 3.671 20 30 GHEDMP C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000729682731 888511288 /nfs/dbraw/zinc/51/12/88/888511288.db2.gz BVDOSFQZQKPKKY-INIZCTEOSA-N 2 1 379.342 3.671 20 30 GHEDMP N#Cc1ccc([C@@H](O)C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000763413179 889240642 /nfs/dbraw/zinc/24/06/42/889240642.db2.gz HSKZPTFBYHPPGJ-BJKOFHAPSA-N 2 1 375.516 3.580 20 30 GHEDMP N#Cc1ccc([C@@H](O)C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000763413179 889240657 /nfs/dbraw/zinc/24/06/57/889240657.db2.gz HSKZPTFBYHPPGJ-BJKOFHAPSA-N 2 1 375.516 3.580 20 30 GHEDMP N#Cc1ccc([C@@H](O)C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000763413179 889240667 /nfs/dbraw/zinc/24/06/67/889240667.db2.gz HSKZPTFBYHPPGJ-BJKOFHAPSA-N 2 1 375.516 3.580 20 30 GHEDMP N#Cc1ccc([C@@H](O)C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000763413179 889240676 /nfs/dbraw/zinc/24/06/76/889240676.db2.gz HSKZPTFBYHPPGJ-BJKOFHAPSA-N 2 1 375.516 3.580 20 30 GHEDMP C=CCSc1ccccc1NC(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000532949572 889362776 /nfs/dbraw/zinc/36/27/76/889362776.db2.gz DYVHNBYFGPEYFA-UHFFFAOYSA-N 2 1 375.582 3.955 20 30 GHEDMP C=CCSc1ccccc1NC(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000532949572 889362796 /nfs/dbraw/zinc/36/27/96/889362796.db2.gz DYVHNBYFGPEYFA-UHFFFAOYSA-N 2 1 375.582 3.955 20 30 GHEDMP N#Cc1ccc([C@H](O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000813370460 891554748 /nfs/dbraw/zinc/55/47/48/891554748.db2.gz HEMQXGJBPLRBHT-HSZRJFAPSA-N 2 1 375.516 3.580 20 30 GHEDMP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000817984509 895992629 /nfs/dbraw/zinc/99/26/29/895992629.db2.gz ZHOBIVRJHLKLMF-QHGAOEGBSA-N 2 1 377.960 3.685 20 30 GHEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000818961686 896267005 /nfs/dbraw/zinc/26/70/05/896267005.db2.gz VHJHKIWKTHIEFE-GLDPYIMESA-N 2 1 377.532 3.859 20 30 GHEDMP C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000121662076 901654162 /nfs/dbraw/zinc/65/41/62/901654162.db2.gz BIKPMXZXOSLGMJ-QGZVFWFLSA-N 2 1 388.581 3.683 20 30 GHEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001172308568 905465041 /nfs/dbraw/zinc/46/50/41/905465041.db2.gz ODKDCSOHQSPZEE-NRFANRHFSA-N 2 1 389.543 3.856 20 30 GHEDMP C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001172308574 905465510 /nfs/dbraw/zinc/46/55/10/905465510.db2.gz ODKDCSOHQSPZEE-OAQYLSRUSA-N 2 1 389.543 3.856 20 30 GHEDMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000176552820 905872743 /nfs/dbraw/zinc/87/27/43/905872743.db2.gz XDXJGGWUMCORAA-UHFFFAOYSA-N 2 1 396.539 3.754 20 30 GHEDMP CC(C)C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172978478 906046212 /nfs/dbraw/zinc/04/62/12/906046212.db2.gz QTKVGOVEEPQAMK-MKXGPGLRSA-N 2 1 378.561 3.506 20 30 GHEDMP CC[N@H+]1CC[C@H](NC(=[NH2+])c2cc3ccc(OC(=O)c4cccs4)cc3s2)C1 ZINC001173356072 906392859 /nfs/dbraw/zinc/39/28/59/906392859.db2.gz ASPJFPIHPGPFEG-AWEZNQCLSA-N 2 1 399.541 3.982 20 30 GHEDMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](C1CCC(C)(C#N)CC1)CC2 ZINC001173595562 906549305 /nfs/dbraw/zinc/54/93/05/906549305.db2.gz RLVKWZCJJVYDJC-OOMBGRCJSA-N 2 1 396.579 3.857 20 30 GHEDMP CCOC(=O)C[C@@H]1CC[C@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173633939 906586115 /nfs/dbraw/zinc/58/61/15/906586115.db2.gz SNWILGZSFPMAPC-CIQXWFTPSA-N 2 1 383.536 3.752 20 30 GHEDMP C=CCOc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1Cl ZINC001178462352 909064032 /nfs/dbraw/zinc/06/40/32/909064032.db2.gz CCVUMUZJBMSTRA-HXUWFJFHSA-N 2 1 386.923 3.761 20 30 GHEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccc(C)cc1 ZINC001178827215 909249405 /nfs/dbraw/zinc/24/94/05/909249405.db2.gz MPDPNKXBGPUVEE-UHFFFAOYSA-N 2 1 386.543 3.952 20 30 GHEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccc(C)cc1 ZINC001178827215 909249418 /nfs/dbraw/zinc/24/94/18/909249418.db2.gz MPDPNKXBGPUVEE-UHFFFAOYSA-N 2 1 386.543 3.952 20 30 GHEDMP [NH2+]=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303793073 915130854 /nfs/dbraw/zinc/13/08/54/915130854.db2.gz YYQRXWLYVLKCRY-OAHLLOKOSA-N 2 1 382.386 3.742 20 30 GHEDMP CCOc1ccc(OCC)c(NC(=[NH2+])NCCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000303879470 915237961 /nfs/dbraw/zinc/23/79/61/915237961.db2.gz GOAVIDULWNQGBP-QGZVFWFLSA-N 2 1 376.545 3.865 20 30 GHEDMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=[NH2+])N[C@H]3CCOc4ccccc43)cc2)C1 ZINC000304475946 915516706 /nfs/dbraw/zinc/51/67/06/915516706.db2.gz HJOKTTBONKKWAJ-GCJKJVERSA-N 2 1 392.547 3.847 20 30 GHEDMP CCc1nc(C[NH+]2CCC(CNC(=[NH2+])Nc3ccc4c(c3)CCC4)CC2)cs1 ZINC000304765841 915700612 /nfs/dbraw/zinc/70/06/12/915700612.db2.gz ZVPZHLJWMMTBPQ-UHFFFAOYSA-N 2 1 397.592 3.833 20 30 GHEDMP C#CCOc1ccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)cc1 ZINC001138559349 1025022174 /nfs/dbraw/zinc/02/21/74/1025022174.db2.gz KUPMZUBNYFQOIP-NRFANRHFSA-N 2 1 394.515 3.547 20 30 GHEDMP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1[nH+]cc2c(c1C#N)N(Cc1ccccc1)CC2 ZINC001162461307 1025755301 /nfs/dbraw/zinc/75/53/01/1025755301.db2.gz OLJSXQWHVKKSNF-IEBWSBKVSA-N 2 1 375.520 3.564 20 30 GHEDMP Cc1ccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)cc1C#N ZINC001139725002 1026568694 /nfs/dbraw/zinc/56/86/94/1026568694.db2.gz YROOCDWDJUTAJY-OAQYLSRUSA-N 2 1 379.504 3.715 20 30 GHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)CC1 ZINC000842681955 1029487941 /nfs/dbraw/zinc/48/79/41/1029487941.db2.gz KQIKMXVDKFSKCQ-QWFCFKBJSA-N 2 1 377.573 3.652 20 30 GHEDMP CCCCCCCOc1ccc(-c2noc([C@@H]([NH3+])CSCC[NH3+])n2)cc1 ZINC001206630233 1033930417 /nfs/dbraw/zinc/93/04/17/1033930417.db2.gz GPGFTVHKBKUBMO-KRWDZBQOSA-N 2 1 378.542 3.778 20 30 GHEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001207289858 1034240078 /nfs/dbraw/zinc/24/00/78/1034240078.db2.gz XYGFCWQHTYHUPE-JWQCQUIFSA-N 2 1 398.591 3.972 20 30 GHEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)CC1 ZINC001208176649 1034775636 /nfs/dbraw/zinc/77/56/36/1034775636.db2.gz JBIHIFKSPGTQSQ-WXFUMESZSA-N 2 1 381.564 3.907 20 30 GHEDMP C=C(C)[C@@H]1CC=C(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)CC1 ZINC001208176649 1034775646 /nfs/dbraw/zinc/77/56/46/1034775646.db2.gz JBIHIFKSPGTQSQ-WXFUMESZSA-N 2 1 381.564 3.907 20 30 GHEDMP C=C(C)[C@@H]1CC=C(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)CC1 ZINC001208176649 1034775659 /nfs/dbraw/zinc/77/56/59/1034775659.db2.gz JBIHIFKSPGTQSQ-WXFUMESZSA-N 2 1 381.564 3.907 20 30 GHEDMP C=CCCCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001160421640 1034968710 /nfs/dbraw/zinc/96/87/10/1034968710.db2.gz COEXUPZQBKEFDP-UDIDDNNKSA-N 2 1 398.595 3.604 20 30 GHEDMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](CCCc3cccc(C#N)c3)CC[C@@H]21 ZINC001208849608 1035056673 /nfs/dbraw/zinc/05/66/73/1035056673.db2.gz KBWBMZUATBSRSN-SGNDLWITSA-N 2 1 391.563 3.561 20 30 GHEDMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](CCCc3cccc(C#N)c3)CC[C@@H]21 ZINC001208849608 1035056684 /nfs/dbraw/zinc/05/66/84/1035056684.db2.gz KBWBMZUATBSRSN-SGNDLWITSA-N 2 1 391.563 3.561 20 30 GHEDMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](CCCc3cccc(C#N)c3)CC[C@@H]21 ZINC001208849608 1035056693 /nfs/dbraw/zinc/05/66/93/1035056693.db2.gz KBWBMZUATBSRSN-SGNDLWITSA-N 2 1 391.563 3.561 20 30 GHEDMP CCCCCCCCOC(=O)[C@@H]([NH3+])Cc1cn([C@@H]2CC[NH2+]C2)c2ccccc12 ZINC001246282396 1037275361 /nfs/dbraw/zinc/27/53/61/1037275361.db2.gz BOTMOWMSFUPYPK-CTNGQTDRSA-N 2 1 385.552 3.949 20 30 GHEDMP C=CCOC(=O)N1CCC2(CCC[N@H+](C3C[C@@H](CC)[NH2+][C@H](CC)C3)C2)CC1 ZINC001246526112 1037457623 /nfs/dbraw/zinc/45/76/23/1037457623.db2.gz LYWXDCFNGQCNKJ-RTBURBONSA-N 2 1 377.573 3.796 20 30 GHEDMP C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@H]3CC[NH2+][C@H](c4ccccc4)C3)C2)CC1 ZINC001246527792 1037461263 /nfs/dbraw/zinc/46/12/63/1037461263.db2.gz WQEZOBIXJTXNKX-VXKWHMMOSA-N 2 1 397.563 3.980 20 30 GHEDMP C=CCOC(=O)N1CCC2(CCC[N@H+]([C@H]3CC[NH2+][C@H](c4ccccc4)C3)C2)CC1 ZINC001246527792 1037461276 /nfs/dbraw/zinc/46/12/76/1037461276.db2.gz WQEZOBIXJTXNKX-VXKWHMMOSA-N 2 1 397.563 3.980 20 30 GHEDMP Cc1cc(F)ccc1[C@H]1C[C@@H]([NH+]2CCN(c3ccc(C#N)cc3)CC2)CCN1 ZINC001246785449 1037626330 /nfs/dbraw/zinc/62/63/30/1037626330.db2.gz BCOPWBPQIFFMAU-JTHBVZDNSA-N 2 1 378.495 3.621 20 30 GHEDMP CCCCCCCC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001252140155 1038889089 /nfs/dbraw/zinc/88/90/89/1038889089.db2.gz LTABXKHIWXNCEG-VJBWXMMDSA-N 2 1 376.585 3.571 20 30 GHEDMP CCCCCCCC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001252140155 1038889109 /nfs/dbraw/zinc/88/91/09/1038889109.db2.gz LTABXKHIWXNCEG-VJBWXMMDSA-N 2 1 376.585 3.571 20 30 GHEDMP CN(c1ccc(C#N)cc1)c1ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)cc1 ZINC001235401086 1040914697 /nfs/dbraw/zinc/91/46/97/1040914697.db2.gz FMYFTKQNYQHIOP-PKTZIBPZSA-N 2 1 378.495 3.850 20 30 GHEDMP CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255593662 1041153394 /nfs/dbraw/zinc/15/33/94/1041153394.db2.gz HBGIWARKMNFIKK-NJDAHSKKSA-N 2 1 398.551 3.640 20 30 GHEDMP N#Cc1ccc(O[C@H]2CCC[N@@H+](Cc3cn4c5c3cccc5C[NH2+]CC4)C2)cc1 ZINC001236581661 1041767495 /nfs/dbraw/zinc/76/74/95/1041767495.db2.gz MLSLVHGRZMXHAD-QFIPXVFZSA-N 2 1 386.499 3.660 20 30 GHEDMP C[C@@H]1C[C@H]([NH+]2CCCN(c3ccc(C#N)cn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256553157 1043521727 /nfs/dbraw/zinc/52/17/27/1043521727.db2.gz GCXJHBQXFWDHAG-NFBKMPQASA-N 2 1 389.547 3.518 20 30 GHEDMP C[C@@H]1C[C@H]([NH+]2CCCN(c3ccc(C#N)cn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256553157 1043521736 /nfs/dbraw/zinc/52/17/36/1043521736.db2.gz GCXJHBQXFWDHAG-NFBKMPQASA-N 2 1 389.547 3.518 20 30 GHEDMP C[C@@H]1C[C@H]([N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)CC[NH+]1Cc1ccccc1 ZINC001256553157 1043521744 /nfs/dbraw/zinc/52/17/44/1043521744.db2.gz GCXJHBQXFWDHAG-NFBKMPQASA-N 2 1 389.547 3.518 20 30 GHEDMP C[C@@H]1C[C@H]([N@H+]2CCCN(c3ccc(C#N)cn3)CC2)CC[NH+]1Cc1ccccc1 ZINC001256553157 1043521758 /nfs/dbraw/zinc/52/17/58/1043521758.db2.gz GCXJHBQXFWDHAG-NFBKMPQASA-N 2 1 389.547 3.518 20 30 GHEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)COc1ccc2cc(Br)ccc2c1 ZINC001308793100 1050096183 /nfs/dbraw/zinc/09/61/83/1050096183.db2.gz OAWZGFRLJHVWSJ-MRXNPFEDSA-N 2 1 389.337 3.914 20 30 GHEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)COc1ccc2cc(Br)ccc2c1 ZINC001308793100 1050096193 /nfs/dbraw/zinc/09/61/93/1050096193.db2.gz OAWZGFRLJHVWSJ-MRXNPFEDSA-N 2 1 389.337 3.914 20 30 GHEDMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001332362588 1051507253 /nfs/dbraw/zinc/50/72/53/1051507253.db2.gz YTOHWHHAACYRCA-RBUKOAKNSA-N 2 1 392.588 3.627 20 30 GHEDMP N#CCCn1cc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)c(-c2ccncc2)n1 ZINC000278592963 835495152 /nfs/dbraw/zinc/49/51/52/835495152.db2.gz HDCJTBFWCSKTMV-UHFFFAOYSA-N 2 1 392.551 3.603 20 30 GHEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(N(Cc2ccccc2)C2(C[NH3+])COC2)cc1 ZINC001167378615 839255634 /nfs/dbraw/zinc/25/56/34/839255634.db2.gz XLQKAUIZWZKVJF-QHCPKHFHSA-N 2 1 377.532 3.744 20 30 GHEDMP C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183198397 846525594 /nfs/dbraw/zinc/52/55/94/846525594.db2.gz XYBBKPSPBFESEH-SIKLNZKXSA-N 2 1 380.580 3.765 20 30 GHEDMP C=CCOC(=O)[C@@H](Nc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1)[C@@H](C)CC ZINC001167960154 851135899 /nfs/dbraw/zinc/13/58/99/851135899.db2.gz UTSGXWYCDACTKX-CDXJDZJCSA-N 2 1 384.524 3.907 20 30 GHEDMP CN(C(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1)C1(C#N)CCCCC1 ZINC000057843913 856235532 /nfs/dbraw/zinc/23/55/32/856235532.db2.gz XFPVKVGIGDBFBO-UHFFFAOYSA-N 2 1 396.579 3.515 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+]CCCn2cc[nH+]c2C)cc1OC ZINC000069754077 858566046 /nfs/dbraw/zinc/56/60/46/858566046.db2.gz QHXUKDPXUYPPLX-UHFFFAOYSA-N 2 1 394.313 3.707 20 30 GHEDMP COc1cc(C[NH+]2CCC[C@@H](CC#N)C2)cc(C[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595623298 858620633 /nfs/dbraw/zinc/62/06/33/858620633.db2.gz LZXYMVAREIZYIO-PMACEKPBSA-N 2 1 380.536 3.947 20 30 GHEDMP CC(C)(C#N)C[C@H](O)C[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000598628037 860474870 /nfs/dbraw/zinc/47/48/70/860474870.db2.gz KORVFUJDQDSTCF-FCHUYYIVSA-N 2 1 383.580 3.910 20 30 GHEDMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(CC#N)cc3)C2)ccn1 ZINC000856604436 881582354 /nfs/dbraw/zinc/58/23/54/881582354.db2.gz WYSQQZVKBXAKKC-QHCPKHFHSA-N 2 1 378.520 3.641 20 30 GHEDMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc(CC#N)cc3)C2)ccn1 ZINC000856604436 881582362 /nfs/dbraw/zinc/58/23/62/881582362.db2.gz WYSQQZVKBXAKKC-QHCPKHFHSA-N 2 1 378.520 3.641 20 30 GHEDMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc(CC#N)cc3)C2)ccn1 ZINC000856604436 881582369 /nfs/dbraw/zinc/58/23/69/881582369.db2.gz WYSQQZVKBXAKKC-QHCPKHFHSA-N 2 1 378.520 3.641 20 30 GHEDMP N#Cc1cccc(C[NH+]2CCC(NC3CC[NH+](C4CCCCC4)CC3)CC2)c1 ZINC000593692077 860883916 /nfs/dbraw/zinc/88/39/16/860883916.db2.gz YNJBZSQPSZDNGH-UHFFFAOYSA-N 2 1 380.580 3.909 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1OCC ZINC000608061552 864953552 /nfs/dbraw/zinc/95/35/52/864953552.db2.gz YEJMJYVLJWMJDF-ZBFHGGJFSA-N 2 1 397.357 3.985 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OCC ZINC000608061552 864953555 /nfs/dbraw/zinc/95/35/55/864953555.db2.gz YEJMJYVLJWMJDF-ZBFHGGJFSA-N 2 1 397.357 3.985 20 30 GHEDMP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)C[C@@H](C)O1 ZINC000553025476 866644286 /nfs/dbraw/zinc/64/42/86/866644286.db2.gz AAJDJOAQRBBJCT-WOJBJXKFSA-N 2 1 399.579 3.578 20 30 GHEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2CCC)CC1 ZINC000528449826 874596771 /nfs/dbraw/zinc/59/67/71/874596771.db2.gz REBJUCFRNWJYKM-FYYLOGMGSA-N 2 1 383.580 3.691 20 30 GHEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000106275060 885025419 /nfs/dbraw/zinc/02/54/19/885025419.db2.gz UCOQDRMSHHQNKQ-UHFFFAOYSA-N 2 1 398.595 3.581 20 30 GHEDMP COc1ccc2c(c1)C[C@@H]([N@@H+](Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001168256615 886826413 /nfs/dbraw/zinc/82/64/13/886826413.db2.gz FGSUMXJJLAISAN-VABKMULXSA-N 2 1 375.516 3.806 20 30 GHEDMP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000533408962 890478525 /nfs/dbraw/zinc/47/85/25/890478525.db2.gz NUYZHQANMDPDGY-OAHLLOKOSA-N 2 1 376.932 3.591 20 30 GHEDMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000533408962 890478528 /nfs/dbraw/zinc/47/85/28/890478528.db2.gz NUYZHQANMDPDGY-OAHLLOKOSA-N 2 1 376.932 3.591 20 30 GHEDMP N#CCOc1ccc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC001137121581 893654080 /nfs/dbraw/zinc/65/40/80/893654080.db2.gz SVDRIMUMKFYBEC-XWVZOOPGSA-N 2 1 377.532 3.984 20 30 GHEDMP N#CCOc1ccc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC001137121581 893654091 /nfs/dbraw/zinc/65/40/91/893654091.db2.gz SVDRIMUMKFYBEC-XWVZOOPGSA-N 2 1 377.532 3.984 20 30 GHEDMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)CC#Cc3ccccc3)CC2)c1C ZINC000192142106 907461885 /nfs/dbraw/zinc/46/18/85/907461885.db2.gz CPUCCCBSKVVMBR-UHFFFAOYSA-N 2 1 377.532 3.655 20 30 GHEDMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)CC#Cc3ccccc3)CC2)c1C ZINC000192142106 907461892 /nfs/dbraw/zinc/46/18/92/907461892.db2.gz CPUCCCBSKVVMBR-UHFFFAOYSA-N 2 1 377.532 3.655 20 30 GHEDMP COc1cccc([C@@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)[NH+]2CCCC2)c1 ZINC000303776638 915122279 /nfs/dbraw/zinc/12/22/79/915122279.db2.gz HXVASTADAZYWKT-JOCHJYFZSA-N 2 1 378.520 3.748 20 30 GHEDMP C=CCOc1c(Br)cc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1OC ZINC000647482865 915296929 /nfs/dbraw/zinc/29/69/29/915296929.db2.gz DUJNMRJANCMOIA-UHFFFAOYSA-N 2 1 395.341 3.739 20 30 GHEDMP C=CCOc1c(Br)cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1OC ZINC000647482865 915296940 /nfs/dbraw/zinc/29/69/40/915296940.db2.gz DUJNMRJANCMOIA-UHFFFAOYSA-N 2 1 395.341 3.739 20 30 GHEDMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=[NH2+])N[C@H]2CCOc3ccccc32)C1 ZINC000304499658 915526648 /nfs/dbraw/zinc/52/66/48/915526648.db2.gz RDEDUKDGAFPVFS-AVRDEDQJSA-N 2 1 392.547 3.847 20 30 GHEDMP C=C(C)c1cccc(C(C)(C)NC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC001189254748 916499224 /nfs/dbraw/zinc/49/92/24/916499224.db2.gz BFPOQLFYEOZSCK-UHFFFAOYSA-N 2 1 393.535 3.923 20 30 GHEDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)Nc1sccc1C#N ZINC000374523244 927241873 /nfs/dbraw/zinc/24/18/73/927241873.db2.gz VNLSEHNOJIYMNX-LJQANCHMSA-N 2 1 396.560 3.839 20 30 GHEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)Nc1sccc1C#N ZINC000374523244 927241886 /nfs/dbraw/zinc/24/18/86/927241886.db2.gz VNLSEHNOJIYMNX-LJQANCHMSA-N 2 1 396.560 3.839 20 30 GHEDMP Cn1cc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000798499553 932674552 /nfs/dbraw/zinc/67/45/52/932674552.db2.gz ZPYKOTITGDLJBV-RUZDIDTESA-N 2 1 399.542 3.961 20 30 GHEDMP C#CCOc1ccc(C[N@@H+](C)C2CCN(Cc3ccccc3)CC2)cc1OC ZINC001138342927 1024703390 /nfs/dbraw/zinc/70/33/90/1024703390.db2.gz DHQYGSJROJPPRB-UHFFFAOYSA-N 2 1 378.516 3.804 20 30 GHEDMP C#CCOc1ccc(CN(C)C2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC001138342927 1024703404 /nfs/dbraw/zinc/70/34/04/1024703404.db2.gz DHQYGSJROJPPRB-UHFFFAOYSA-N 2 1 378.516 3.804 20 30 GHEDMP COC(=O)c1cccc(CN(c2ccc(CC#N)c(C)[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001162192106 1025658509 /nfs/dbraw/zinc/65/85/09/1025658509.db2.gz MNLOKOZLMWHBDF-MEMLXQNLSA-N 2 1 392.503 3.519 20 30 GHEDMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC001139527810 1026385061 /nfs/dbraw/zinc/38/50/61/1026385061.db2.gz POYAWAJPSPDYHK-UNWVZKJWSA-N 2 1 378.495 3.825 20 30 GHEDMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]21 ZINC001139527810 1026385076 /nfs/dbraw/zinc/38/50/76/1026385076.db2.gz POYAWAJPSPDYHK-UNWVZKJWSA-N 2 1 378.495 3.825 20 30 GHEDMP N#Cc1cc(Cc2ccccc2)sc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210262053 1027411336 /nfs/dbraw/zinc/41/13/36/1027411336.db2.gz PGUZMTKGGCYELE-UHFFFAOYSA-N 2 1 375.501 3.759 20 30 GHEDMP N#Cc1ccc(CC2CC[NH+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)cc1 ZINC001206717535 1033956973 /nfs/dbraw/zinc/95/69/73/1033956973.db2.gz XIDZVYUBRRCTCB-UHFFFAOYSA-N 2 1 389.543 3.845 20 30 GHEDMP N#Cc1cnc(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)c2cc(-c3ccccc3)sc21 ZINC001160513052 1034992657 /nfs/dbraw/zinc/99/26/57/1034992657.db2.gz JIPRPWRAKQRGDH-QFIPXVFZSA-N 2 1 389.528 3.670 20 30 GHEDMP C=CCCCCCCC[N@H+]1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001209442582 1035275014 /nfs/dbraw/zinc/27/50/14/1035275014.db2.gz XUWIRYCSOKKFPG-UHFFFAOYSA-N 2 1 389.588 3.623 20 30 GHEDMP CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+][C@H]1C[C@@H]2C[NH2+][C@H]1C2 ZINC001246016138 1037135972 /nfs/dbraw/zinc/13/59/72/1037135972.db2.gz RVUBMNJZBWIVBO-LUKWVAJMSA-N 2 1 398.632 3.641 20 30 GHEDMP C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@@H]1CC[NH2+][C@H](C(C)(C)C)C1)CC2 ZINC001246526822 1037456739 /nfs/dbraw/zinc/45/67/39/1037456739.db2.gz RONXRXNMHMTKTC-MOPGFXCFSA-N 2 1 377.573 3.654 20 30 GHEDMP CCOC(=O)[C@@H]1CC2(C[N@H+]1C1CCC(c3ccc(C#N)cc3)CC1)CC[NH2+]CC2 ZINC001246602443 1037499258 /nfs/dbraw/zinc/49/92/58/1037499258.db2.gz LJNZBLRQUQXDEX-HRTMPFAESA-N 2 1 395.547 3.592 20 30 GHEDMP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@@H](C(C#N)(c2ccccc2)c2ccccc2)C1 ZINC001253193757 1039470067 /nfs/dbraw/zinc/47/00/67/1039470067.db2.gz IUKHEJUSJLDETQ-RPWUZVMVSA-N 2 1 391.559 3.521 20 30 GHEDMP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@@H](C(C#N)(c2ccccc2)c2ccccc2)C1 ZINC001253193757 1039470078 /nfs/dbraw/zinc/47/00/78/1039470078.db2.gz IUKHEJUSJLDETQ-RPWUZVMVSA-N 2 1 391.559 3.521 20 30 GHEDMP C=CCCCCCC[C@H](O)C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC001253236370 1039491284 /nfs/dbraw/zinc/49/12/84/1039491284.db2.gz SOWHITOXZJTWNU-IRLDBZIGSA-N 2 1 394.600 3.613 20 30 GHEDMP C=CCCCCCC[C@H](O)C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC001253236370 1039491294 /nfs/dbraw/zinc/49/12/94/1039491294.db2.gz SOWHITOXZJTWNU-IRLDBZIGSA-N 2 1 394.600 3.613 20 30 GHEDMP C=C1C[C@@H]2CC([NH+]3CC[C@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4C(C)C)C3)C[C@H](C1)C2 ZINC001257890874 1044246120 /nfs/dbraw/zinc/24/61/20/1044246120.db2.gz BXWZGAGLXBICOD-JPKNMIGISA-N 2 1 383.584 3.586 20 30 GHEDMP C=C1C[C@@H]2CC([NH+]3CC[C@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4C(C)C)C3)C[C@H](C1)C2 ZINC001257890874 1044246132 /nfs/dbraw/zinc/24/61/32/1044246132.db2.gz BXWZGAGLXBICOD-JPKNMIGISA-N 2 1 383.584 3.586 20 30 GHEDMP C=C1C[C@@H]2CC([N@H+]3CC[C@H]4[C@H](C[C@@H](Cn5cncn5)[NH+]4C(C)C)C3)C[C@H](C1)C2 ZINC001257890874 1044246144 /nfs/dbraw/zinc/24/61/44/1044246144.db2.gz BXWZGAGLXBICOD-JPKNMIGISA-N 2 1 383.584 3.586 20 30 GHEDMP C=C1C[C@@H]2CC([N@@H+]3CC[C@H]4[C@H](C[C@@H](Cn5cncn5)[NH+]4C(C)C)C3)C[C@H](C1)C2 ZINC001257890874 1044246158 /nfs/dbraw/zinc/24/61/58/1044246158.db2.gz BXWZGAGLXBICOD-JPKNMIGISA-N 2 1 383.584 3.586 20 30 GHEDMP C#CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000246808792 835031601 /nfs/dbraw/zinc/03/16/01/835031601.db2.gz ALWIUWOQNJIQRT-VQTJNVASSA-N 2 1 378.516 3.770 20 30 GHEDMP C#CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000246808792 835031608 /nfs/dbraw/zinc/03/16/08/835031608.db2.gz ALWIUWOQNJIQRT-VQTJNVASSA-N 2 1 378.516 3.770 20 30 GHEDMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)C[C@H](C)O1 ZINC000092587192 844121325 /nfs/dbraw/zinc/12/13/25/844121325.db2.gz UJCMUSHWVLXXKC-BGYRXZFFSA-N 2 1 385.552 3.690 20 30 GHEDMP C=CCOCc1nn(CC2CC2)c2c1C[N@@H+]([C@H](C)CCC[NH+](CC)CC)CC2 ZINC001167825905 842047257 /nfs/dbraw/zinc/04/72/57/842047257.db2.gz ULVCACWAEKPBLX-LJQANCHMSA-N 2 1 388.600 3.864 20 30 GHEDMP C(#CC[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1)C[NH+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000661876459 842273521 /nfs/dbraw/zinc/27/35/21/842273521.db2.gz UDWIFJJOGNOQJQ-KIHHCIJBSA-N 2 1 388.596 3.552 20 30 GHEDMP C(#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1)C[NH+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000661876459 842273532 /nfs/dbraw/zinc/27/35/32/842273532.db2.gz UDWIFJJOGNOQJQ-KIHHCIJBSA-N 2 1 388.596 3.552 20 30 GHEDMP C(#CC[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1)C[NH+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000661876459 842273541 /nfs/dbraw/zinc/27/35/41/842273541.db2.gz UDWIFJJOGNOQJQ-KIHHCIJBSA-N 2 1 388.596 3.552 20 30 GHEDMP C[NH+]=C(NCc1scnc1C)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000262004159 850555070 /nfs/dbraw/zinc/55/50/70/850555070.db2.gz VETBHIOHJPMTAO-VQTJNVASSA-N 2 1 397.592 3.513 20 30 GHEDMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000438448832 852410207 /nfs/dbraw/zinc/41/02/07/852410207.db2.gz BGXXEESSDWBAKC-AUSIDOKSSA-N 2 1 390.531 3.872 20 30 GHEDMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000438448832 852410213 /nfs/dbraw/zinc/41/02/13/852410213.db2.gz BGXXEESSDWBAKC-AUSIDOKSSA-N 2 1 390.531 3.872 20 30 GHEDMP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2cccc(C#N)c2)CC[NH+]1Cc1ccccc1 ZINC000438448832 852410220 /nfs/dbraw/zinc/41/02/20/852410220.db2.gz BGXXEESSDWBAKC-AUSIDOKSSA-N 2 1 390.531 3.872 20 30 GHEDMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2cccc(C#N)c2)CC[NH+]1Cc1ccccc1 ZINC000438448832 852410226 /nfs/dbraw/zinc/41/02/26/852410226.db2.gz BGXXEESSDWBAKC-AUSIDOKSSA-N 2 1 390.531 3.872 20 30 GHEDMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@H]3CCc4ccc(C#N)cc43)cc2)C[C@H](C)O1 ZINC000573292283 856014344 /nfs/dbraw/zinc/01/43/44/856014344.db2.gz XHGGZVQSAJIVRM-RHGYRFJNSA-N 2 1 375.516 3.945 20 30 GHEDMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3cccc(C#N)c3)CC2)c1C ZINC000171693161 856233768 /nfs/dbraw/zinc/23/37/68/856233768.db2.gz NFVNOMFNZIYAPP-UHFFFAOYSA-N 2 1 378.520 3.675 20 30 GHEDMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3cccc(C#N)c3)CC2)c1C ZINC000171693161 856233781 /nfs/dbraw/zinc/23/37/81/856233781.db2.gz NFVNOMFNZIYAPP-UHFFFAOYSA-N 2 1 378.520 3.675 20 30 GHEDMP CCN(CC)c1ccc(/C=[NH+]\C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(O)c1 ZINC000760976913 856888688 /nfs/dbraw/zinc/88/86/88/856888688.db2.gz AICLBJYVBTVTND-NAZSJVEXSA-N 2 1 395.547 3.948 20 30 GHEDMP COC(=O)C1(C)CCC([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001168770256 864865549 /nfs/dbraw/zinc/86/55/49/864865549.db2.gz DDFODTPSZKYLJY-FDNODPCQSA-N 2 1 383.536 3.752 20 30 GHEDMP C#CCC[NH+]1CCC(NC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC1 ZINC000743492609 868237151 /nfs/dbraw/zinc/23/71/51/868237151.db2.gz XJOVSOYLLZQZRM-UHFFFAOYSA-N 2 1 389.543 3.536 20 30 GHEDMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(C#N)(c3ccc(Br)cc3)CC1)C2 ZINC001169143175 871251142 /nfs/dbraw/zinc/25/11/42/871251142.db2.gz YUHMFVRADIOABR-BWTSREIZSA-N 2 1 388.353 3.931 20 30 GHEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(C#N)(c3ccc(Br)cc3)CC1)C2 ZINC001169143175 871251158 /nfs/dbraw/zinc/25/11/58/871251158.db2.gz YUHMFVRADIOABR-BWTSREIZSA-N 2 1 388.353 3.931 20 30 GHEDMP CCOC(=O)N1CCC[C@@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169671472 871768826 /nfs/dbraw/zinc/76/88/26/871768826.db2.gz GWXMSANWEAGFCU-YPAWHYETSA-N 2 1 398.551 3.641 20 30 GHEDMP CCOC(=O)N1CCC[C@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169671471 871769068 /nfs/dbraw/zinc/76/90/68/871769068.db2.gz GWXMSANWEAGFCU-FKBYEOEOSA-N 2 1 398.551 3.641 20 30 GHEDMP C=CCC[C@H]1CCC[N@@H+]1CC(=O)N1CCN(Cc2ccc(C(C)C)cc2)CC1 ZINC001198407320 874394823 /nfs/dbraw/zinc/39/48/23/874394823.db2.gz UECLYYVPGSMTDU-QHCPKHFHSA-N 2 1 383.580 3.885 20 30 GHEDMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cccc(OCCCC#N)c3)c2)CCO1 ZINC000237638841 877728571 /nfs/dbraw/zinc/72/85/71/877728571.db2.gz JIWIJBAIOVBPOZ-FQEVSTJZSA-N 2 1 393.531 3.880 20 30 GHEDMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cccc(OCCCC#N)c3)c2)CCO1 ZINC000237638841 877728578 /nfs/dbraw/zinc/72/85/78/877728578.db2.gz JIWIJBAIOVBPOZ-FQEVSTJZSA-N 2 1 393.531 3.880 20 30 GHEDMP C#CCOc1ccc(C[NH2+]CC2CC[NH+](Cc3csc(CC)n3)CC2)cc1 ZINC000113341202 880518934 /nfs/dbraw/zinc/51/89/34/880518934.db2.gz DOHRWWPAQULYRS-UHFFFAOYSA-N 2 1 383.561 3.719 20 30 GHEDMP C=CCOc1c(Cl)cc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1OC ZINC000623425106 885364885 /nfs/dbraw/zinc/36/48/85/885364885.db2.gz ROMRPKSVFHLBNS-INIZCTEOSA-N 2 1 394.943 3.504 20 30 GHEDMP COC(=O)c1cccc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c1C#N ZINC000533759635 892836535 /nfs/dbraw/zinc/83/65/35/892836535.db2.gz WMLMEPHKVXBMHW-SFHVURJKSA-N 2 1 383.536 3.821 20 30 GHEDMP COC(=O)c1cccc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1C#N ZINC000533759635 892836548 /nfs/dbraw/zinc/83/65/48/892836548.db2.gz WMLMEPHKVXBMHW-SFHVURJKSA-N 2 1 383.536 3.821 20 30 GHEDMP N#Cc1ccccc1-c1ccc(C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)cc1 ZINC000564662419 895162400 /nfs/dbraw/zinc/16/24/00/895162400.db2.gz YWGNDMPODAGXHA-UHFFFAOYSA-N 2 1 375.516 3.552 20 30 GHEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000568618397 897988348 /nfs/dbraw/zinc/98/83/48/897988348.db2.gz MNEYZOGEWPRJCZ-FQEVSTJZSA-N 2 1 377.532 3.786 20 30 GHEDMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@H]1C ZINC000331377939 898440827 /nfs/dbraw/zinc/44/08/27/898440827.db2.gz FLTOCZFTJYECDC-CVEARBPZSA-N 2 1 388.581 3.632 20 30 GHEDMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@H]1C ZINC000331377939 898440833 /nfs/dbraw/zinc/44/08/33/898440833.db2.gz FLTOCZFTJYECDC-CVEARBPZSA-N 2 1 388.581 3.632 20 30 GHEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@H]1C ZINC000331377939 898440843 /nfs/dbraw/zinc/44/08/43/898440843.db2.gz FLTOCZFTJYECDC-CVEARBPZSA-N 2 1 388.581 3.632 20 30 GHEDMP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000157391649 900498682 /nfs/dbraw/zinc/49/86/82/900498682.db2.gz BNXWFFACUQWNPE-QGZVFWFLSA-N 2 1 376.545 3.579 20 30 GHEDMP C=CCOC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172090930 905311372 /nfs/dbraw/zinc/31/13/72/905311372.db2.gz XXBGVNJVZAFPAC-BXXSPATCSA-N 2 1 397.563 3.949 20 30 GHEDMP C=CCOC(=O)N[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172090930 905311392 /nfs/dbraw/zinc/31/13/92/905311392.db2.gz XXBGVNJVZAFPAC-BXXSPATCSA-N 2 1 397.563 3.949 20 30 GHEDMP C=CCOC(=O)N[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172090930 905311411 /nfs/dbraw/zinc/31/14/11/905311411.db2.gz XXBGVNJVZAFPAC-BXXSPATCSA-N 2 1 397.563 3.949 20 30 GHEDMP C=CCOC(=O)N[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172090930 905311429 /nfs/dbraw/zinc/31/14/29/905311429.db2.gz XXBGVNJVZAFPAC-BXXSPATCSA-N 2 1 397.563 3.949 20 30 GHEDMP C=CCN1CC[C@@]2(C[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C[C@@H]2c2ccccc2)C1=O ZINC001172115368 905368259 /nfs/dbraw/zinc/36/82/59/905368259.db2.gz AZPVUCQTRVWAHZ-JAWPICGBSA-N 2 1 393.575 3.506 20 30 GHEDMP C=CCN1CC[C@@]2(C[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@@H]2c2ccccc2)C1=O ZINC001172115368 905368274 /nfs/dbraw/zinc/36/82/74/905368274.db2.gz AZPVUCQTRVWAHZ-JAWPICGBSA-N 2 1 393.575 3.506 20 30 GHEDMP C=CCN1CC[C@@]2(C[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@@H]2c2ccccc2)C1=O ZINC001172115368 905368290 /nfs/dbraw/zinc/36/82/90/905368290.db2.gz AZPVUCQTRVWAHZ-JAWPICGBSA-N 2 1 393.575 3.506 20 30 GHEDMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(OCC#N)cc1 ZINC000245964192 910024552 /nfs/dbraw/zinc/02/45/52/910024552.db2.gz YRVKFOBHQVUIQZ-YKSBVNFPSA-N 2 1 392.547 3.618 20 30 GHEDMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=[NH2+])N[C@@H]3CCOc4ccccc43)cc2)C1 ZINC000304475951 915516375 /nfs/dbraw/zinc/51/63/75/915516375.db2.gz HJOKTTBONKKWAJ-PGRDOPGGSA-N 2 1 392.547 3.847 20 30 GHEDMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000304475374 915516657 /nfs/dbraw/zinc/51/66/57/915516657.db2.gz HBWABCYQGOLGCK-PGRDOPGGSA-N 2 1 392.547 3.989 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000294727030 916950639 /nfs/dbraw/zinc/95/06/39/916950639.db2.gz DAJXQTPNAVKPMC-MQVJKMGUSA-N 2 1 395.341 3.737 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000294727030 916950652 /nfs/dbraw/zinc/95/06/52/916950652.db2.gz DAJXQTPNAVKPMC-MQVJKMGUSA-N 2 1 395.341 3.737 20 30 GHEDMP C[NH+]1CCC2(CCC[N@@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C2)CC1 ZINC000366949858 921834131 /nfs/dbraw/zinc/83/41/31/921834131.db2.gz DMMMPEXMVBJLOI-UHFFFAOYSA-N 2 1 377.536 3.772 20 30 GHEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000411470393 926429090 /nfs/dbraw/zinc/42/90/90/926429090.db2.gz CANYAGKIGOZPPM-ZHRRBRCNSA-N 2 1 385.471 3.509 20 30 GHEDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)Nc1sccc1C#N ZINC000374523243 927241655 /nfs/dbraw/zinc/24/16/55/927241655.db2.gz VNLSEHNOJIYMNX-IBGZPJMESA-N 2 1 396.560 3.839 20 30 GHEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)Nc1sccc1C#N ZINC000374523243 927241666 /nfs/dbraw/zinc/24/16/66/927241666.db2.gz VNLSEHNOJIYMNX-IBGZPJMESA-N 2 1 396.560 3.839 20 30 GHEDMP C=CCOc1c(Br)cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1OC ZINC000469884379 930234931 /nfs/dbraw/zinc/23/49/31/930234931.db2.gz NDLQSWXSPZXNSC-UXLLHSPISA-N 2 1 395.341 3.582 20 30 GHEDMP C=CCOc1c(Br)cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1OC ZINC000469884379 930234937 /nfs/dbraw/zinc/23/49/37/930234937.db2.gz NDLQSWXSPZXNSC-UXLLHSPISA-N 2 1 395.341 3.582 20 30 GHEDMP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000799178806 932899296 /nfs/dbraw/zinc/89/92/96/932899296.db2.gz LGDJVBIQKXLIRE-NRFANRHFSA-N 2 1 396.579 3.746 20 30 GHEDMP N#Cc1cnc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c(Cl)c1 ZINC001155357368 1032516130 /nfs/dbraw/zinc/51/61/30/1032516130.db2.gz FLYOYWMDXTVVNJ-LJQANCHMSA-N 2 1 395.938 3.520 20 30 GHEDMP C[N@H+]1CC[C@@H](CNC(=[NH2+])NCCc2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000305679198 1021166215 /nfs/dbraw/zinc/16/62/15/1021166215.db2.gz MJMBHPZCCVSFCZ-FXAWDEMLSA-N 2 1 388.918 3.619 20 30 GHEDMP C=CCOC(=O)N1CCC2(CCC[N@@H+](Cc3ccc(-n4ccnc4)cc3)C2)CC1 ZINC001139357581 1026228854 /nfs/dbraw/zinc/22/88/54/1026228854.db2.gz AESIICZICULMPX-UHFFFAOYSA-N 2 1 394.519 3.873 20 30 GHEDMP N#Cc1ccnc(-c2ccc(C[N@@H+]3C[C@H]4CN(Cc5ccccn5)C[C@H]4C3)cc2)c1 ZINC001139404022 1026276065 /nfs/dbraw/zinc/27/60/65/1026276065.db2.gz PHVBUOYTKNEPJZ-ZRZAMGCNSA-N 2 1 395.510 3.579 20 30 GHEDMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4ccc(C#N)c(F)c4)CC3)C2)cc1 ZINC001139528927 1026388010 /nfs/dbraw/zinc/38/80/10/1026388010.db2.gz YISVSCBNFFJAIS-UHFFFAOYSA-N 2 1 393.506 3.873 20 30 GHEDMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1cccc(C#N)c1)CC2 ZINC001203757545 1027580131 /nfs/dbraw/zinc/58/01/31/1027580131.db2.gz LYZSKCXGMODWHX-HXUWFJFHSA-N 2 1 381.545 3.875 20 30 GHEDMP C=CC[N@@H+]1CCc2c(Cl)c(OC3C[NH2+]C3)c(O)cc2[C@H](c2ccccc2)C1 ZINC001218052293 1030742688 /nfs/dbraw/zinc/74/26/88/1030742688.db2.gz GNSPBQGXWPRYER-IBGZPJMESA-N 2 1 384.907 3.572 20 30 GHEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC001220600200 1032004612 /nfs/dbraw/zinc/00/46/12/1032004612.db2.gz CZRGTXYSRVTWID-JTHBVZDNSA-N 2 1 398.595 3.601 20 30 GHEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC001220600200 1032004628 /nfs/dbraw/zinc/00/46/28/1032004628.db2.gz CZRGTXYSRVTWID-JTHBVZDNSA-N 2 1 398.595 3.601 20 30 GHEDMP CCC[NH+](CCC)[C@@H]1CCc2cccc(O[C@@H]3C[C@@H]4[C@H]5O[C@H]5[C@H](C3)[N@H+]4C)c2C1 ZINC001229648033 1033615252 /nfs/dbraw/zinc/61/52/52/1033615252.db2.gz PZFWETQINGNHNO-QBHJEPNRSA-N 2 1 384.564 3.657 20 30 GHEDMP CCC[NH+](CCC)[C@@H]1CCc2cccc(O[C@@H]3C[C@@H]4[C@H]5O[C@H]5[C@H](C3)[N@@H+]4C)c2C1 ZINC001229648033 1033615258 /nfs/dbraw/zinc/61/52/58/1033615258.db2.gz PZFWETQINGNHNO-QBHJEPNRSA-N 2 1 384.564 3.657 20 30 GHEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCCn3c(=O)cc(C[NH+](CC)CC)nc3C2)CC1 ZINC001208174177 1034772596 /nfs/dbraw/zinc/77/25/96/1034772596.db2.gz BQVNCZAKHHOZPT-HXUWFJFHSA-N 2 1 384.568 3.593 20 30 GHEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCCn3c(=O)cc(C[NH+](CC)CC)nc3C2)CC1 ZINC001208174177 1034772608 /nfs/dbraw/zinc/77/26/08/1034772608.db2.gz BQVNCZAKHHOZPT-HXUWFJFHSA-N 2 1 384.568 3.593 20 30 GHEDMP C#Cc1cccc(CN2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)c1 ZINC001231656044 1034812511 /nfs/dbraw/zinc/81/25/11/1034812511.db2.gz XFRASRMTKYUVRK-DQEYMECFSA-N 2 1 378.560 3.628 20 30 GHEDMP C#Cc1cccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)c1 ZINC001231656044 1034812517 /nfs/dbraw/zinc/81/25/17/1034812517.db2.gz XFRASRMTKYUVRK-DQEYMECFSA-N 2 1 378.560 3.628 20 30 GHEDMP C#Cc1cccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)c1 ZINC001231656044 1034812528 /nfs/dbraw/zinc/81/25/28/1034812528.db2.gz XFRASRMTKYUVRK-DQEYMECFSA-N 2 1 378.560 3.628 20 30 GHEDMP C#Cc1cccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)c1 ZINC001231656044 1034812544 /nfs/dbraw/zinc/81/25/44/1034812544.db2.gz XFRASRMTKYUVRK-DQEYMECFSA-N 2 1 378.560 3.628 20 30 GHEDMP C#Cc1cccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)c1 ZINC001231656044 1034812560 /nfs/dbraw/zinc/81/25/60/1034812560.db2.gz XFRASRMTKYUVRK-DQEYMECFSA-N 2 1 378.560 3.628 20 30 GHEDMP N#Cc1ccc(CC[N@@H+]2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)cc1 ZINC001208926403 1035091675 /nfs/dbraw/zinc/09/16/75/1035091675.db2.gz GVRPPMVIZNDLJY-QFIPXVFZSA-N 2 1 396.485 3.729 20 30 GHEDMP N#Cc1ccccc1O[C@@H]1CCC[N@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208954580 1035128247 /nfs/dbraw/zinc/12/82/47/1035128247.db2.gz WNISHYBBTHSCMK-FYYLOGMGSA-N 2 1 375.516 3.924 20 30 GHEDMP N#Cc1ccccc1O[C@@H]1CCC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208954580 1035128249 /nfs/dbraw/zinc/12/82/49/1035128249.db2.gz WNISHYBBTHSCMK-FYYLOGMGSA-N 2 1 375.516 3.924 20 30 GHEDMP N#Cc1ccccc1O[C@@H]1CCC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208954580 1035128251 /nfs/dbraw/zinc/12/82/51/1035128251.db2.gz WNISHYBBTHSCMK-FYYLOGMGSA-N 2 1 375.516 3.924 20 30 GHEDMP N#Cc1ccccc1O[C@@H]1CCC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208954580 1035128255 /nfs/dbraw/zinc/12/82/55/1035128255.db2.gz WNISHYBBTHSCMK-FYYLOGMGSA-N 2 1 375.516 3.924 20 30 GHEDMP C=CCCCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001161575666 1035262234 /nfs/dbraw/zinc/26/22/34/1035262234.db2.gz MIIVPQSBWVFESI-VJBWXMMDSA-N 2 1 383.580 3.821 20 30 GHEDMP CCCCCCCCCCCC[C@H](O)C[NH2+]Cc1nnc2n1CCC[NH2+]C2 ZINC001245988354 1037110116 /nfs/dbraw/zinc/11/01/16/1037110116.db2.gz VKRJLZOFKKBTKM-IBGZPJMESA-N 2 1 379.593 3.533 20 30 GHEDMP COC(=O)c1ccc(C(=[NH2+])NC2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001246305258 1037286316 /nfs/dbraw/zinc/28/63/16/1037286316.db2.gz MAFYJDXSLNWBMH-QRTHJKPMSA-N 2 1 379.504 3.620 20 30 GHEDMP C=CCOC(=O)N1CCC2(CCC[N@H+]([C@@H]3CC[NH2+][C@H](CCCC)C3)C2)CC1 ZINC001246526770 1037457513 /nfs/dbraw/zinc/45/75/13/1037457513.db2.gz QXGIMMPYRKNDEF-WOJBJXKFSA-N 2 1 377.573 3.798 20 30 GHEDMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1ccc(C#N)s1)CC2 ZINC001232842380 1038593489 /nfs/dbraw/zinc/59/34/89/1038593489.db2.gz BHWBTQVZFOAYMS-LJQANCHMSA-N 2 1 396.560 3.518 20 30 GHEDMP N#Cc1cccc(C[NH+]2CCC(OC3CC[NH+](Cc4ccccc4)CC3)CC2)n1 ZINC001232927197 1038713637 /nfs/dbraw/zinc/71/36/37/1038713637.db2.gz SROIHNXRUFJYSL-UHFFFAOYSA-N 2 1 390.531 3.599 20 30 GHEDMP CCCCCCCC[C@@H](O)C[NH+]1CCC2(CCC[N@@H+]2Cc2cnn(C)c2)CC1 ZINC001252125436 1038871180 /nfs/dbraw/zinc/87/11/80/1038871180.db2.gz DFSSNQDDGBQHKU-JOCHJYFZSA-N 2 1 390.616 3.962 20 30 GHEDMP CCCCCCCC[C@@H](O)C[NH+]1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001252125436 1038871194 /nfs/dbraw/zinc/87/11/94/1038871194.db2.gz DFSSNQDDGBQHKU-JOCHJYFZSA-N 2 1 390.616 3.962 20 30 GHEDMP C[N@H+]1CC[C@]23CCCC[C@@H]2[C@H]1Cc1ccc(O[C@H](CC#N)C[N+](C)(C)C)cc13 ZINC001233939832 1039715339 /nfs/dbraw/zinc/71/53/39/1039715339.db2.gz ULVPCYDHLJZKET-LUGTWXOSSA-N 2 1 382.572 3.742 20 30 GHEDMP COCC[N@@H+](Cc1ccc(N(C)c2ccc(C#N)cc2)cc1)C1CC[NH2+]CC1 ZINC001235946539 1041451486 /nfs/dbraw/zinc/45/14/86/1041451486.db2.gz LBPHEFCAZIYAII-UHFFFAOYSA-N 2 1 378.520 3.527 20 30 GHEDMP C=CCN1C(=O)CCC12CC[NH+]([C@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001256544897 1043505177 /nfs/dbraw/zinc/50/51/77/1043505177.db2.gz PTIGSFYSNZIJGR-UNMCSNQZSA-N 2 1 381.564 3.683 20 30 GHEDMP C=CCN1C(=O)CCC12CC[NH+]([C@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001256544897 1043505191 /nfs/dbraw/zinc/50/51/91/1043505191.db2.gz PTIGSFYSNZIJGR-UNMCSNQZSA-N 2 1 381.564 3.683 20 30 GHEDMP CCCCCCC[C@@H](C)[N@H+]1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001258046956 1044370094 /nfs/dbraw/zinc/37/00/94/1044370094.db2.gz GHEZWNGFFZRBSC-HXUWFJFHSA-N 2 1 391.604 3.845 20 30 GHEDMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001332362589 1051506386 /nfs/dbraw/zinc/50/63/86/1051506386.db2.gz YTOHWHHAACYRCA-RTBURBONSA-N 2 1 392.588 3.627 20 30 GHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc(Br)cc(OC)c2O)CC1 ZINC000848527901 1057150852 /nfs/dbraw/zinc/15/08/52/1057150852.db2.gz HMKBBZRIVVVFRD-ZDUSSCGKSA-N 2 1 383.330 3.854 20 30 GHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cc(Br)cc(OC)c2O)CC1 ZINC000848527900 1057150911 /nfs/dbraw/zinc/15/09/11/1057150911.db2.gz HMKBBZRIVVVFRD-CYBMUJFWSA-N 2 1 383.330 3.854 20 30 GHEDMP C[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC001348957536 1063442618 /nfs/dbraw/zinc/44/26/18/1063442618.db2.gz ISUNAYCTWSCIGN-WIYYLYMNSA-N 2 1 376.504 3.530 20 30 GHEDMP C[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC001348957536 1063442628 /nfs/dbraw/zinc/44/26/28/1063442628.db2.gz ISUNAYCTWSCIGN-WIYYLYMNSA-N 2 1 376.504 3.530 20 30 GHEDMP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@@H+]2CCC[C@@H]2C2CCC2)c1=S ZINC000728198794 835098700 /nfs/dbraw/zinc/09/87/00/835098700.db2.gz HEGGRJKLOPBGRZ-LJQANCHMSA-N 2 1 389.613 3.850 20 30 GHEDMP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@H+]2CCC[C@@H]2C2CCC2)c1=S ZINC000728198794 835098709 /nfs/dbraw/zinc/09/87/09/835098709.db2.gz HEGGRJKLOPBGRZ-LJQANCHMSA-N 2 1 389.613 3.850 20 30 GHEDMP C=CC[C@]1(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CCC[NH2+]1 ZINC000662728213 841496369 /nfs/dbraw/zinc/49/63/69/841496369.db2.gz JMLYIVFCDAQEJE-HXUWFJFHSA-N 2 1 396.362 3.772 20 30 GHEDMP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433124283 845453116 /nfs/dbraw/zinc/45/31/16/845453116.db2.gz AYTFGKVNJGHYGI-OAQYLSRUSA-N 2 1 381.564 3.564 20 30 GHEDMP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000104155013 845808880 /nfs/dbraw/zinc/80/88/80/845808880.db2.gz GEQUXYSPLBRNCV-GOSISDBHSA-N 2 1 386.496 3.641 20 30 GHEDMP N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)C2)c(F)c1 ZINC000515634422 851276620 /nfs/dbraw/zinc/27/66/20/851276620.db2.gz LKQCMJIGKJHAMQ-RZUBCFFCSA-N 2 1 378.495 3.749 20 30 GHEDMP N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[NH2+][C@H](c4ccccc4)C3)C2)c(F)c1 ZINC000515634423 851276971 /nfs/dbraw/zinc/27/69/71/851276971.db2.gz LKQCMJIGKJHAMQ-URVUXULASA-N 2 1 378.495 3.749 20 30 GHEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000329944439 862445401 /nfs/dbraw/zinc/44/54/01/862445401.db2.gz FEKTZIBOXFOKIR-UHFFFAOYSA-N 2 1 398.555 3.716 20 30 GHEDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C(=O)Nc1ccccc1C#N ZINC000056156186 855485249 /nfs/dbraw/zinc/48/52/49/855485249.db2.gz YBUZWCRYCLFWOJ-MOPGFXCFSA-N 2 1 390.531 3.907 20 30 GHEDMP C[C@@]1(CNC(=O)N2CCC(c3c[nH]cn3)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000330245085 862689516 /nfs/dbraw/zinc/68/95/16/862689516.db2.gz DOGVDWCXVGJPCH-QFIPXVFZSA-N 2 1 381.524 3.558 20 30 GHEDMP C[C@@]1(CNC(=O)N2CCC(c3cnc[nH]3)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000330245085 862689524 /nfs/dbraw/zinc/68/95/24/862689524.db2.gz DOGVDWCXVGJPCH-QFIPXVFZSA-N 2 1 381.524 3.558 20 30 GHEDMP C[C@@]1(CNC(=O)N2CCC(c3cnc[nH]3)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000330245085 862689536 /nfs/dbraw/zinc/68/95/36/862689536.db2.gz DOGVDWCXVGJPCH-QFIPXVFZSA-N 2 1 381.524 3.558 20 30 GHEDMP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000521947048 858463590 /nfs/dbraw/zinc/46/35/90/858463590.db2.gz TWCOTSRPPDDHRF-UHFFFAOYSA-N 2 1 383.458 3.900 20 30 GHEDMP C=C(C)COc1cccc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)c1 ZINC000607057743 864018428 /nfs/dbraw/zinc/01/84/28/864018428.db2.gz KAXQQXZKTWNPOG-HXUWFJFHSA-N 2 1 388.556 3.521 20 30 GHEDMP CCOCCC[N@H+]1CC[C@H](/[NH+]=C\c2ccc(N(CC)CC)cc2O)[C@H](C)C1 ZINC000734366230 864178555 /nfs/dbraw/zinc/17/85/55/864178555.db2.gz JMFXYIVBYVJVMK-ZRZUITRJSA-N 2 1 375.557 3.794 20 30 GHEDMP COc1cc(C#N)ccc1OCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183151443 866255846 /nfs/dbraw/zinc/25/58/46/866255846.db2.gz TYNNPISQSYOJRO-MRXNPFEDSA-N 2 1 376.460 3.791 20 30 GHEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000181513260 871125660 /nfs/dbraw/zinc/12/56/60/871125660.db2.gz SIUBPQVQDVHOKE-OYRHEFFESA-N 2 1 382.596 3.870 20 30 GHEDMP CC[N@@H+](CCC1CCN([C@@H](C(=O)OC)c2ccc(C#N)cc2)CC1)CC1CC1 ZINC000771475840 875277109 /nfs/dbraw/zinc/27/71/09/875277109.db2.gz OAVAFLPGJFQXEC-JOCHJYFZSA-N 2 1 383.536 3.606 20 30 GHEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000122162546 878410805 /nfs/dbraw/zinc/41/08/05/878410805.db2.gz NFWWUTWKRPRPBZ-QGZVFWFLSA-N 2 1 381.524 3.581 20 30 GHEDMP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000538393567 879413277 /nfs/dbraw/zinc/41/32/77/879413277.db2.gz OUYOKWJCOBIBKX-NBGIEHNGSA-N 2 1 388.559 3.948 20 30 GHEDMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000538393567 879413295 /nfs/dbraw/zinc/41/32/95/879413295.db2.gz OUYOKWJCOBIBKX-NBGIEHNGSA-N 2 1 388.559 3.948 20 30 GHEDMP C#CC[N@@H+](CCCn1cc[nH+]c1C)[C@H]1CCOc2ccc(Br)cc21 ZINC000762926274 887110750 /nfs/dbraw/zinc/11/07/50/887110750.db2.gz ORXCTDRTQURNRL-SFHVURJKSA-N 2 1 388.309 3.803 20 30 GHEDMP C#CC[N@H+](CCCn1cc[nH+]c1C)[C@H]1CCOc2ccc(Br)cc21 ZINC000762926274 887110758 /nfs/dbraw/zinc/11/07/58/887110758.db2.gz ORXCTDRTQURNRL-SFHVURJKSA-N 2 1 388.309 3.803 20 30 GHEDMP N#Cc1ccc([C@H](O)C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000763413186 889240889 /nfs/dbraw/zinc/24/08/89/889240889.db2.gz HSKZPTFBYHPPGJ-DNQXCXABSA-N 2 1 375.516 3.580 20 30 GHEDMP N#Cc1ccc([C@H](O)C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000763413186 889240894 /nfs/dbraw/zinc/24/08/94/889240894.db2.gz HSKZPTFBYHPPGJ-DNQXCXABSA-N 2 1 375.516 3.580 20 30 GHEDMP N#Cc1ccc([C@H](O)C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000763413186 889240908 /nfs/dbraw/zinc/24/09/08/889240908.db2.gz HSKZPTFBYHPPGJ-DNQXCXABSA-N 2 1 375.516 3.580 20 30 GHEDMP N#Cc1ccc([C@H](O)C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000763413186 889240915 /nfs/dbraw/zinc/24/09/15/889240915.db2.gz HSKZPTFBYHPPGJ-DNQXCXABSA-N 2 1 375.516 3.580 20 30 GHEDMP C[C@H](NCC#CC[NH2+][C@@H](C)c1nc2c(s1)CCC2)c1nc2c(s1)CCC2 ZINC000459635890 893945630 /nfs/dbraw/zinc/94/56/30/893945630.db2.gz UTYHRZZHCKBOLI-KBPBESRZSA-N 2 1 386.590 3.582 20 30 GHEDMP CO[C@H]1CCC[NH+](Cc2cc(C#N)cc(C[N@@H+]3CCC[C@H](OC)CC3)c2)CC1 ZINC000878401036 894262074 /nfs/dbraw/zinc/26/20/74/894262074.db2.gz KOZSRQJAAKGYSH-GOTSBHOMSA-N 2 1 385.552 3.560 20 30 GHEDMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000819100716 896376498 /nfs/dbraw/zinc/37/64/98/896376498.db2.gz REUMGXHHJKARFY-QHCPKHFHSA-N 2 1 375.472 3.606 20 30 GHEDMP C[N@@H+](Cc1ccccc1NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)C1CCCCC1 ZINC000884176917 899201997 /nfs/dbraw/zinc/20/19/97/899201997.db2.gz VCKIHNDQQYQIOZ-FVRICEFQSA-N 2 1 380.536 3.529 20 30 GHEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(Cl)cc3CC#N)CC2)CC1 ZINC000574767532 901005228 /nfs/dbraw/zinc/00/52/28/901005228.db2.gz DMZRVKWABAZLHO-UHFFFAOYSA-N 2 1 388.943 3.541 20 30 GHEDMP C[N@@H+](Cc1ccccc1C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)C1CCCCC1 ZINC000600720352 902843475 /nfs/dbraw/zinc/84/34/75/902843475.db2.gz OTZNHDFNLFLRMR-QHCPKHFHSA-N 2 1 399.579 3.612 20 30 GHEDMP N#CCC[C@H](NCc1ccc(OCCN2CCOCC2)cc1)c1ccccc1 ZINC000601114283 903348323 /nfs/dbraw/zinc/34/83/23/903348323.db2.gz OXPKOSKIZOQMEH-QHCPKHFHSA-N 2 1 379.504 3.532 20 30 GHEDMP CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C[C@H]1C#N ZINC001172978113 906044503 /nfs/dbraw/zinc/04/45/03/906044503.db2.gz LVNPZUZINVZJSB-AFYVEPGGSA-N 2 1 390.572 3.793 20 30 GHEDMP COc1ccccc1[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)[NH+]1CCCC1 ZINC000303774102 915120504 /nfs/dbraw/zinc/12/05/04/915120504.db2.gz FUEUYKRPGVUASV-OAQYLSRUSA-N 2 1 378.520 3.748 20 30 GHEDMP COc1cccc(NC(=[NH2+])NC[C@@H](c2ccccc2OC)[NH+]2CCCCC2)c1 ZINC000303892611 915301045 /nfs/dbraw/zinc/30/10/45/915301045.db2.gz NRUWNKPCVBZMFZ-FQEVSTJZSA-N 2 1 382.508 3.658 20 30 GHEDMP COc1ccc(NC(=[NH2+])NCc2ccccc2C[N@H+](C)Cc2ccco2)cc1 ZINC000304792994 915702427 /nfs/dbraw/zinc/70/24/27/915702427.db2.gz LHSALYSJLRSMQY-UHFFFAOYSA-N 2 1 378.476 3.847 20 30 GHEDMP COc1ccc(NC(=[NH2+])NCc2ccccc2C[N@@H+](C)Cc2ccco2)cc1 ZINC000304792994 915702445 /nfs/dbraw/zinc/70/24/45/915702445.db2.gz LHSALYSJLRSMQY-UHFFFAOYSA-N 2 1 378.476 3.847 20 30 GHEDMP C[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411512690 926469416 /nfs/dbraw/zinc/46/94/16/926469416.db2.gz BNQNGKXZHADUIA-RDJZCZTQSA-N 2 1 388.943 3.783 20 30 GHEDMP C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000924680709 931472747 /nfs/dbraw/zinc/47/27/47/931472747.db2.gz HZIAJQOYBAKSDA-CEXWTWQISA-N 2 1 390.572 3.522 20 30 GHEDMP C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000924680709 931472751 /nfs/dbraw/zinc/47/27/51/931472751.db2.gz HZIAJQOYBAKSDA-CEXWTWQISA-N 2 1 390.572 3.522 20 30 GHEDMP C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000924680713 931472820 /nfs/dbraw/zinc/47/28/20/931472820.db2.gz HZIAJQOYBAKSDA-QYZOEREBSA-N 2 1 390.572 3.522 20 30 GHEDMP C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000924680713 931472825 /nfs/dbraw/zinc/47/28/25/931472825.db2.gz HZIAJQOYBAKSDA-QYZOEREBSA-N 2 1 390.572 3.522 20 30 GHEDMP COc1ccc(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c(C#N)c1 ZINC001137700896 935732136 /nfs/dbraw/zinc/73/21/36/935732136.db2.gz DFEPHMDPWPGZLZ-UHFFFAOYSA-N 2 1 390.531 3.838 20 30 GHEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccccc2-c2nccs2)CC1 ZINC001140454326 1021742936 /nfs/dbraw/zinc/74/29/36/1021742936.db2.gz BMRZEARACAIWQZ-UHFFFAOYSA-N 2 1 382.577 3.602 20 30 GHEDMP N#Cc1ccc(Oc2ccc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)cc2)cc1 ZINC001141295523 1024432182 /nfs/dbraw/zinc/43/21/82/1024432182.db2.gz DTBIECLTUYMTOP-UHFFFAOYSA-N 2 1 390.531 3.564 20 30 GHEDMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)cc1 ZINC001138772784 1025343120 /nfs/dbraw/zinc/34/31/20/1025343120.db2.gz BSDGSEUAGNIXSB-QHCPKHFHSA-N 2 1 379.504 3.542 20 30 GHEDMP N#Cc1c[nH]c2cc(NC[C@H]3C[N@@H+](Cc4ccccc4)CC34CC[NH2+]CC4)ccc12 ZINC001162935845 1025973479 /nfs/dbraw/zinc/97/34/79/1025973479.db2.gz WONRYQPWEQWVGG-NRFANRHFSA-N 2 1 399.542 3.953 20 30 GHEDMP N#Cc1cccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)c1 ZINC001203756973 1027579833 /nfs/dbraw/zinc/57/98/33/1027579833.db2.gz GGFOJRYBSVNEKX-ZEQRLZLVSA-N 2 1 379.548 3.519 20 30 GHEDMP N#Cc1cccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)c1 ZINC001203756973 1027579848 /nfs/dbraw/zinc/57/98/48/1027579848.db2.gz GGFOJRYBSVNEKX-ZEQRLZLVSA-N 2 1 379.548 3.519 20 30 GHEDMP N#Cc1cccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)c1 ZINC001203756973 1027579858 /nfs/dbraw/zinc/57/98/58/1027579858.db2.gz GGFOJRYBSVNEKX-ZEQRLZLVSA-N 2 1 379.548 3.519 20 30 GHEDMP N#Cc1cccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)c1 ZINC001203756973 1027579869 /nfs/dbraw/zinc/57/98/69/1027579869.db2.gz GGFOJRYBSVNEKX-ZEQRLZLVSA-N 2 1 379.548 3.519 20 30 GHEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+](C[C@H]1CCC[NH+](Cc3ccccc3)C1)CC2 ZINC001208934168 1035098454 /nfs/dbraw/zinc/09/84/54/1035098454.db2.gz HWTQNLBPBFOUER-NOZRDPDXSA-N 2 1 395.591 3.932 20 30 GHEDMP C=CCN1C(=O)CC[C@]12CCC[NH+](C[C@H]1CCC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208934168 1035098464 /nfs/dbraw/zinc/09/84/64/1035098464.db2.gz HWTQNLBPBFOUER-NOZRDPDXSA-N 2 1 395.591 3.932 20 30 GHEDMP C=CCN1C(=O)CC[C@]12CCC[NH+](C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208934168 1035098470 /nfs/dbraw/zinc/09/84/70/1035098470.db2.gz HWTQNLBPBFOUER-NOZRDPDXSA-N 2 1 395.591 3.932 20 30 GHEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](C[C@@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208936622 1035103775 /nfs/dbraw/zinc/10/37/75/1035103775.db2.gz ODCBWZBJDNKLSO-UBFVSLLYSA-N 2 1 398.591 3.972 20 30 GHEDMP C=CCOC[C@]12CCCO[C@@H]1CC[NH+](C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001208936622 1035103779 /nfs/dbraw/zinc/10/37/79/1035103779.db2.gz ODCBWZBJDNKLSO-UBFVSLLYSA-N 2 1 398.591 3.972 20 30 GHEDMP C=CCOC[C@]12CCCO[C@@H]1CC[NH+](C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208936622 1035103781 /nfs/dbraw/zinc/10/37/81/1035103781.db2.gz ODCBWZBJDNKLSO-UBFVSLLYSA-N 2 1 398.591 3.972 20 30 GHEDMP C=CCCCCC[NH+]1CCC2(C[C@@H](COCC3CC3)[N@@H+](CCOC)C2)CC1 ZINC001209423890 1035272009 /nfs/dbraw/zinc/27/20/09/1035272009.db2.gz GCPIZIOFFYCQLU-QFIPXVFZSA-N 2 1 378.601 3.962 20 30 GHEDMP CCCCCCCC[C@@H](O)C[N@H+]1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001246037484 1037152923 /nfs/dbraw/zinc/15/29/23/1037152923.db2.gz AUXZIIPWZKEQFQ-HXUWFJFHSA-N 2 1 376.589 3.842 20 30 GHEDMP CCCCCCCCCCCC[C@H](O)C[N@@H+]1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001246034546 1037153096 /nfs/dbraw/zinc/15/30/96/1037153096.db2.gz QGDPWVIQACRPSK-GOTSBHOMSA-N 2 1 398.632 3.739 20 30 GHEDMP CCCCCCCCCCCC[C@H](O)C[N@H+]1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001246034546 1037153109 /nfs/dbraw/zinc/15/31/09/1037153109.db2.gz QGDPWVIQACRPSK-GOTSBHOMSA-N 2 1 398.632 3.739 20 30 GHEDMP CCCCCCCCOC(=O)[C@@H]([NH3+])Cc1cn([C@H]2CC[NH2+]C2)c2ccccc12 ZINC001246282397 1037276190 /nfs/dbraw/zinc/27/61/90/1037276190.db2.gz BOTMOWMSFUPYPK-FPOVZHCZSA-N 2 1 385.552 3.949 20 30 GHEDMP C=CCN1C(=O)CCC[C@]12CCC[N@@H+]([C@@H]1CC[NH2+][C@H](c3ccc(F)cc3C)C1)C2 ZINC001246709168 1037560945 /nfs/dbraw/zinc/56/09/45/1037560945.db2.gz SFMLZNHAEBHTON-JCTONOIOSA-N 2 1 399.554 3.960 20 30 GHEDMP C=CCN1C(=O)CCC[C@]12CCC[N@H+]([C@@H]1CC[NH2+][C@H](c3ccc(F)cc3C)C1)C2 ZINC001246709168 1037560958 /nfs/dbraw/zinc/56/09/58/1037560958.db2.gz SFMLZNHAEBHTON-JCTONOIOSA-N 2 1 399.554 3.960 20 30 GHEDMP CCCCCCCC[C@H](O)C[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001252127868 1038878122 /nfs/dbraw/zinc/87/81/22/1038878122.db2.gz GGCWVVVUOZCVAO-QFIPXVFZSA-N 2 1 390.616 3.839 20 30 GHEDMP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CC[C@@H](C(C#N)(c2ccccc2)c2ccccc2)C1 ZINC001253395240 1039599416 /nfs/dbraw/zinc/59/94/16/1039599416.db2.gz DFVVEOAWQBYNJE-DHIUTWEWSA-N 2 1 391.559 3.567 20 30 GHEDMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CC[C@@H](C(C#N)(c2ccccc2)c2ccccc2)C1 ZINC001253395240 1039599433 /nfs/dbraw/zinc/59/94/33/1039599433.db2.gz DFVVEOAWQBYNJE-DHIUTWEWSA-N 2 1 391.559 3.567 20 30 GHEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc(Oc3cccnc3)cc2)CC1 ZINC001235126472 1040618584 /nfs/dbraw/zinc/61/85/84/1040618584.db2.gz IQTARJQRSYZJQD-UHFFFAOYSA-N 2 1 392.547 3.666 20 30 GHEDMP C=CCOC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255150443 1040867382 /nfs/dbraw/zinc/86/73/82/1040867382.db2.gz UXRFCGLJAWXHCE-YUMYIRISSA-N 2 1 383.536 3.559 20 30 GHEDMP C=CCOC(=O)N[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255150443 1040867395 /nfs/dbraw/zinc/86/73/95/1040867395.db2.gz UXRFCGLJAWXHCE-YUMYIRISSA-N 2 1 383.536 3.559 20 30 GHEDMP C=CCOC(=O)N[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255150443 1040867402 /nfs/dbraw/zinc/86/74/02/1040867402.db2.gz UXRFCGLJAWXHCE-YUMYIRISSA-N 2 1 383.536 3.559 20 30 GHEDMP C=CCOC(=O)N[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255150443 1040867414 /nfs/dbraw/zinc/86/74/14/1040867414.db2.gz UXRFCGLJAWXHCE-YUMYIRISSA-N 2 1 383.536 3.559 20 30 GHEDMP N#Cc1ccc(N2CCC[N@H+]([C@H]3CCC[NH+](Cc4ccccc4)CC3)CC2)nc1 ZINC001255403255 1040990117 /nfs/dbraw/zinc/99/01/17/1040990117.db2.gz CCJYBUYALNTCIS-QHCPKHFHSA-N 2 1 389.547 3.520 20 30 GHEDMP N#Cc1ccc(N2CCC[NH+]([C@H]3CCC[N@H+](Cc4ccccc4)CC3)CC2)nc1 ZINC001255403255 1040990127 /nfs/dbraw/zinc/99/01/27/1040990127.db2.gz CCJYBUYALNTCIS-QHCPKHFHSA-N 2 1 389.547 3.520 20 30 GHEDMP N#Cc1ccc(N2CCC[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)nc1 ZINC001255403255 1040990129 /nfs/dbraw/zinc/99/01/29/1040990129.db2.gz CCJYBUYALNTCIS-QHCPKHFHSA-N 2 1 389.547 3.520 20 30 GHEDMP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001255959886 1041438527 /nfs/dbraw/zinc/43/85/27/1041438527.db2.gz BGWPAMATYGWBJV-URXFXBBRSA-N 2 1 398.595 3.597 20 30 GHEDMP N#CC(c1ccccc1)(c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccc3n2CC[NH2+]C3)C1 ZINC001236159690 1041583340 /nfs/dbraw/zinc/58/33/40/1041583340.db2.gz VNXCHMZFKSBAMK-HSZRJFAPSA-N 2 1 396.538 3.923 20 30 GHEDMP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cn(C)c5ccc(C#N)cc45)C[C@H]3C2)cc1 ZINC001237467705 1042220540 /nfs/dbraw/zinc/22/05/40/1042220540.db2.gz SOKOPABVDZXAFZ-FGZHOGPDSA-N 2 1 384.527 3.922 20 30 GHEDMP C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001256605982 1043568820 /nfs/dbraw/zinc/56/88/20/1043568820.db2.gz LYLCQIFACWKCSR-RPWUZVMVSA-N 2 1 384.564 3.725 20 30 GHEDMP C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001256605982 1043568826 /nfs/dbraw/zinc/56/88/26/1043568826.db2.gz LYLCQIFACWKCSR-RPWUZVMVSA-N 2 1 384.564 3.725 20 30 GHEDMP C=CCC[C@H](C)[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCc2cccnc2)C1 ZINC001258728112 1044734231 /nfs/dbraw/zinc/73/42/31/1044734231.db2.gz LIOZFGBPWQFZAN-NKKJXINNSA-N 2 1 383.580 3.987 20 30 GHEDMP C=CCC[C@H](C)[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001258728112 1044734249 /nfs/dbraw/zinc/73/42/49/1044734249.db2.gz LIOZFGBPWQFZAN-NKKJXINNSA-N 2 1 383.580 3.987 20 30 GHEDMP C=CCC[C@H](C)[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001258728112 1044734261 /nfs/dbraw/zinc/73/42/61/1044734261.db2.gz LIOZFGBPWQFZAN-NKKJXINNSA-N 2 1 383.580 3.987 20 30 GHEDMP COc1cc(C#N)ccc1OCCN(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000581551810 837539407 /nfs/dbraw/zinc/53/94/07/837539407.db2.gz ZWZWHZYQPXWXBV-LJQANCHMSA-N 2 1 399.560 3.770 20 30 GHEDMP COc1cc(C#N)ccc1OCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000581551810 837539424 /nfs/dbraw/zinc/53/94/24/837539424.db2.gz ZWZWHZYQPXWXBV-LJQANCHMSA-N 2 1 399.560 3.770 20 30 GHEDMP COc1cc(C#N)ccc1OCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000581551810 837539434 /nfs/dbraw/zinc/53/94/34/837539434.db2.gz ZWZWHZYQPXWXBV-LJQANCHMSA-N 2 1 399.560 3.770 20 30 GHEDMP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@@H+]2CCC[C@H]2C2CCC2)c1=S ZINC000728198793 835098796 /nfs/dbraw/zinc/09/87/96/835098796.db2.gz HEGGRJKLOPBGRZ-IBGZPJMESA-N 2 1 389.613 3.850 20 30 GHEDMP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@H+]2CCC[C@H]2C2CCC2)c1=S ZINC000728198793 835098806 /nfs/dbraw/zinc/09/88/06/835098806.db2.gz HEGGRJKLOPBGRZ-IBGZPJMESA-N 2 1 389.613 3.850 20 30 GHEDMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000365251615 836294093 /nfs/dbraw/zinc/29/40/93/836294093.db2.gz UJCWFOQIFUMBCU-UHFFFAOYSA-N 2 1 376.508 3.630 20 30 GHEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000365251615 836294105 /nfs/dbraw/zinc/29/41/05/836294105.db2.gz UJCWFOQIFUMBCU-UHFFFAOYSA-N 2 1 376.508 3.630 20 30 GHEDMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000156932028 840918120 /nfs/dbraw/zinc/91/81/20/840918120.db2.gz UWRPZWKLWBBNDE-WMZHIEFXSA-N 2 1 390.531 3.872 20 30 GHEDMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000156932028 840918130 /nfs/dbraw/zinc/91/81/30/840918130.db2.gz UWRPZWKLWBBNDE-WMZHIEFXSA-N 2 1 390.531 3.872 20 30 GHEDMP C[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccc(C#N)cc2)CC[NH+]1Cc1ccccc1 ZINC000156932028 840918134 /nfs/dbraw/zinc/91/81/34/840918134.db2.gz UWRPZWKLWBBNDE-WMZHIEFXSA-N 2 1 390.531 3.872 20 30 GHEDMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccc(C#N)cc2)CC[NH+]1Cc1ccccc1 ZINC000156932028 840918139 /nfs/dbraw/zinc/91/81/39/840918139.db2.gz UWRPZWKLWBBNDE-WMZHIEFXSA-N 2 1 390.531 3.872 20 30 GHEDMP N#CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000248405783 845303641 /nfs/dbraw/zinc/30/36/41/845303641.db2.gz RTKRNFGTXKWVCR-OEMFJLHTSA-N 2 1 375.516 3.979 20 30 GHEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000583436263 849904187 /nfs/dbraw/zinc/90/41/87/849904187.db2.gz YJVZCDRICYISON-HSZRJFAPSA-N 2 1 380.532 3.723 20 30 GHEDMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3csc(C#N)c3)CC2)c1C ZINC000894493455 851528838 /nfs/dbraw/zinc/52/88/38/851528838.db2.gz UVLWTNKXNLYPDX-UHFFFAOYSA-N 2 1 384.549 3.737 20 30 GHEDMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3csc(C#N)c3)CC2)c1C ZINC000894493455 851528842 /nfs/dbraw/zinc/52/88/42/851528842.db2.gz UVLWTNKXNLYPDX-UHFFFAOYSA-N 2 1 384.549 3.737 20 30 GHEDMP C=CC[NH+]1CCC(NC(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000171710835 856238667 /nfs/dbraw/zinc/23/86/67/856238667.db2.gz ABFPUIATRAGDKL-BGYRXZFFSA-N 2 1 398.595 3.614 20 30 GHEDMP C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000592294722 856767257 /nfs/dbraw/zinc/76/72/57/856767257.db2.gz IZIVJZDOIQSEPM-FQEVSTJZSA-N 2 1 398.595 3.901 20 30 GHEDMP C=C(C)C[NH+]1CCC(NC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000592313420 856775826 /nfs/dbraw/zinc/77/58/26/856775826.db2.gz JLNPICFPMQGLSW-HXUWFJFHSA-N 2 1 399.579 3.710 20 30 GHEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]Cc3cnc4ccc(C#N)cn34)cc2)C1 ZINC000123320806 856788594 /nfs/dbraw/zinc/78/85/94/856788594.db2.gz VJSDXHIHHXKVPW-KDURUIRLSA-N 2 1 387.531 3.974 20 30 GHEDMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000594447543 858179921 /nfs/dbraw/zinc/17/99/21/858179921.db2.gz YJJOJKSEIZXDAY-CEXWTWQISA-N 2 1 394.922 3.530 20 30 GHEDMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000594447543 858179923 /nfs/dbraw/zinc/17/99/23/858179923.db2.gz YJJOJKSEIZXDAY-CEXWTWQISA-N 2 1 394.922 3.530 20 30 GHEDMP COc1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)ccc1C#N ZINC000521945004 858477672 /nfs/dbraw/zinc/47/76/72/858477672.db2.gz ZPXMNUAEEOYRFY-RJGXRXQPSA-N 2 1 375.516 3.957 20 30 GHEDMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000114475614 859626835 /nfs/dbraw/zinc/62/68/35/859626835.db2.gz VYVILUWHPYAOGP-UHFFFAOYSA-N 2 1 388.581 3.685 20 30 GHEDMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000114475614 859626837 /nfs/dbraw/zinc/62/68/37/859626837.db2.gz VYVILUWHPYAOGP-UHFFFAOYSA-N 2 1 388.581 3.685 20 30 GHEDMP Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000192935173 860267234 /nfs/dbraw/zinc/26/72/34/860267234.db2.gz OFHMOEXWXVKVBV-NRFANRHFSA-N 2 1 385.515 3.570 20 30 GHEDMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000598719738 860527741 /nfs/dbraw/zinc/52/77/41/860527741.db2.gz KTKTWMPOZRPCMO-NZSAHSFTSA-N 2 1 397.485 3.979 20 30 GHEDMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000598719738 860527747 /nfs/dbraw/zinc/52/77/47/860527747.db2.gz KTKTWMPOZRPCMO-NZSAHSFTSA-N 2 1 397.485 3.979 20 30 GHEDMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000120823705 881775076 /nfs/dbraw/zinc/77/50/76/881775076.db2.gz GTRYXFVUYXDELK-FQEVSTJZSA-N 2 1 379.552 3.921 20 30 GHEDMP C=CCOc1c(Br)cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1OC ZINC000093644424 872314665 /nfs/dbraw/zinc/31/46/65/872314665.db2.gz KKBSBYCHCFADMF-GOEBONIOSA-N 2 1 397.357 3.937 20 30 GHEDMP C=CCOc1c(Br)cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1OC ZINC000093644424 872314673 /nfs/dbraw/zinc/31/46/73/872314673.db2.gz KKBSBYCHCFADMF-GOEBONIOSA-N 2 1 397.357 3.937 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000093644424 872314680 /nfs/dbraw/zinc/31/46/80/872314680.db2.gz KKBSBYCHCFADMF-GOEBONIOSA-N 2 1 397.357 3.937 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000093644424 872314689 /nfs/dbraw/zinc/31/46/89/872314689.db2.gz KKBSBYCHCFADMF-GOEBONIOSA-N 2 1 397.357 3.937 20 30 GHEDMP C[C@@H]1C[N@H+](Cc2ccc(C[NH+](C)CC#Cc3ccc(F)cc3)cc2)C[C@H](C)O1 ZINC001195650474 872558201 /nfs/dbraw/zinc/55/82/01/872558201.db2.gz PBALIMGXBBQQPA-BGYRXZFFSA-N 2 1 380.507 3.918 20 30 GHEDMP C#CCOc1ccc(Br)cc1C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC001202233682 876081461 /nfs/dbraw/zinc/08/14/61/876081461.db2.gz NYLIGIYICDWREG-UHFFFAOYSA-N 2 1 379.342 3.673 20 30 GHEDMP C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000237634868 877725332 /nfs/dbraw/zinc/72/53/32/877725332.db2.gz MCSYIZXVXCNMEQ-SLFFLAALSA-N 2 1 393.531 3.876 20 30 GHEDMP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000571468840 899877915 /nfs/dbraw/zinc/87/79/15/899877915.db2.gz SMMKHLMPXYNCTM-UPVQGACJSA-N 2 1 375.516 3.682 20 30 GHEDMP C=CCOCc1nn([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2c1C[NH2+]C2 ZINC001172073393 905276106 /nfs/dbraw/zinc/27/61/06/905276106.db2.gz VXJYMNWDBUXEOC-WKCHPHFGSA-N 2 1 392.547 3.947 20 30 GHEDMP CC(C)(C)C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172973922 906039609 /nfs/dbraw/zinc/03/96/09/906039609.db2.gz JFPZRQOTXKDULJ-MKXGPGLRSA-N 2 1 392.588 3.896 20 30 GHEDMP N#CCC1CCC([N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)CC1 ZINC001173334128 906377055 /nfs/dbraw/zinc/37/70/55/906377055.db2.gz VDGDAABZCIJVBP-DZXJHWIPSA-N 2 1 385.596 3.919 20 30 GHEDMP N#CCC1CCC([NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)CC1 ZINC001173334128 906377064 /nfs/dbraw/zinc/37/70/64/906377064.db2.gz VDGDAABZCIJVBP-DZXJHWIPSA-N 2 1 385.596 3.919 20 30 GHEDMP N#CCC1CCC([NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)CC1 ZINC001173334128 906377078 /nfs/dbraw/zinc/37/70/78/906377078.db2.gz VDGDAABZCIJVBP-DZXJHWIPSA-N 2 1 385.596 3.919 20 30 GHEDMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccc(OCC#N)cc3)CC2)oc1C ZINC000181740196 907068094 /nfs/dbraw/zinc/06/80/94/907068094.db2.gz YEHADBWEEOHAOG-QGZVFWFLSA-N 2 1 382.508 3.757 20 30 GHEDMP C[NH+]=C(NCc1ccc(C)s1)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000081983903 908938071 /nfs/dbraw/zinc/93/80/71/908938071.db2.gz YNZCOCOJYCGZNY-YJBOKZPZSA-N 2 1 376.595 3.866 20 30 GHEDMP N#Cc1ccc([C@H](O)CN2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000248008084 911589886 /nfs/dbraw/zinc/58/98/86/911589886.db2.gz KZWHCXKZPMNNET-RBZQAINGSA-N 2 1 375.516 3.578 20 30 GHEDMP N#Cc1ccc([C@H](O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000248008084 911589900 /nfs/dbraw/zinc/58/99/00/911589900.db2.gz KZWHCXKZPMNNET-RBZQAINGSA-N 2 1 375.516 3.578 20 30 GHEDMP N#Cc1ccc([C@H](O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000248008084 911589913 /nfs/dbraw/zinc/58/99/13/911589913.db2.gz KZWHCXKZPMNNET-RBZQAINGSA-N 2 1 375.516 3.578 20 30 GHEDMP N#Cc1ccc([C@H](O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000248008084 911589926 /nfs/dbraw/zinc/58/99/26/911589926.db2.gz KZWHCXKZPMNNET-RBZQAINGSA-N 2 1 375.516 3.578 20 30 GHEDMP N#Cc1ccc([C@H](O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000248008084 911589940 /nfs/dbraw/zinc/58/99/40/911589940.db2.gz KZWHCXKZPMNNET-RBZQAINGSA-N 2 1 375.516 3.578 20 30 GHEDMP C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000248447753 912108369 /nfs/dbraw/zinc/10/83/69/912108369.db2.gz NPGFXJAYIHHSSJ-XXBNENTESA-N 2 1 378.516 3.506 20 30 GHEDMP COc1ccc(NC(=[NH2+])NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1Cl ZINC000303866075 915223919 /nfs/dbraw/zinc/22/39/19/915223919.db2.gz CFZLFXIFHMFUNB-KRWDZBQOSA-N 2 1 386.927 3.640 20 30 GHEDMP C[C@H]1CCCC[N@H+]1CCCCNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1 ZINC000304504420 915526976 /nfs/dbraw/zinc/52/69/76/915526976.db2.gz TUODRBDYADMTHQ-HNNXBMFYSA-N 2 1 386.462 3.644 20 30 GHEDMP [NH2+]=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)Nc1ccc2c(c1)OCCCO2 ZINC000304739445 915668714 /nfs/dbraw/zinc/66/87/14/915668714.db2.gz BFFATZBJTAAGSQ-IBGZPJMESA-N 2 1 386.540 3.619 20 30 GHEDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000924753395 931524700 /nfs/dbraw/zinc/52/47/00/931524700.db2.gz PFZDPJYKBQRIEL-MOPGFXCFSA-N 2 1 392.588 3.627 20 30 GHEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)CO[C@H](c2ccccc2)c2ccccc2C)CC1 ZINC000579344295 1020408133 /nfs/dbraw/zinc/40/81/33/1020408133.db2.gz XWKMJHFJJZZLGM-UKILVPOCSA-N 2 1 394.559 3.702 20 30 GHEDMP C#CCOc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1OC ZINC001138348778 1024711540 /nfs/dbraw/zinc/71/15/40/1024711540.db2.gz MXIWKZNOBOGXEI-QFIPXVFZSA-N 2 1 378.516 3.661 20 30 GHEDMP C#CCOc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1OC ZINC001138348778 1024711558 /nfs/dbraw/zinc/71/15/58/1024711558.db2.gz MXIWKZNOBOGXEI-QFIPXVFZSA-N 2 1 378.516 3.661 20 30 GHEDMP C#CCOc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC001138348778 1024711570 /nfs/dbraw/zinc/71/15/70/1024711570.db2.gz MXIWKZNOBOGXEI-QFIPXVFZSA-N 2 1 378.516 3.661 20 30 GHEDMP C#CCOc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC001138348778 1024711582 /nfs/dbraw/zinc/71/15/82/1024711582.db2.gz MXIWKZNOBOGXEI-QFIPXVFZSA-N 2 1 378.516 3.661 20 30 GHEDMP N#CCc1c(F)cccc1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162940948 1025977325 /nfs/dbraw/zinc/97/73/25/1025977325.db2.gz BQSYJEPRTJVJLO-FQEVSTJZSA-N 2 1 392.522 3.805 20 30 GHEDMP Cc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)cc1C#N ZINC001139724954 1026568475 /nfs/dbraw/zinc/56/84/75/1026568475.db2.gz XMWBKQVIKIYEDW-UHFFFAOYSA-N 2 1 381.545 3.795 20 30 GHEDMP Cc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)cc1C#N ZINC001139724954 1026568479 /nfs/dbraw/zinc/56/84/79/1026568479.db2.gz XMWBKQVIKIYEDW-UHFFFAOYSA-N 2 1 381.545 3.795 20 30 GHEDMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001140137642 1026911350 /nfs/dbraw/zinc/91/13/50/1026911350.db2.gz QPRWVWDDNABGFU-JMUQELJHSA-N 2 1 378.495 3.825 20 30 GHEDMP CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001140137642 1026911355 /nfs/dbraw/zinc/91/13/55/1026911355.db2.gz QPRWVWDDNABGFU-JMUQELJHSA-N 2 1 378.495 3.825 20 30 GHEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)CC1 ZINC001208174426 1034773048 /nfs/dbraw/zinc/77/30/48/1034773048.db2.gz DVNLYSGUHBHZFU-WXFUMESZSA-N 2 1 387.612 3.550 20 30 GHEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)CC1 ZINC001208174426 1034773058 /nfs/dbraw/zinc/77/30/58/1034773058.db2.gz DVNLYSGUHBHZFU-WXFUMESZSA-N 2 1 387.612 3.550 20 30 GHEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)CC1 ZINC001208174426 1034773069 /nfs/dbraw/zinc/77/30/69/1034773069.db2.gz DVNLYSGUHBHZFU-WXFUMESZSA-N 2 1 387.612 3.550 20 30 GHEDMP C=CCCCCC[C@H]([NH3+])C(=O)N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001160284186 1034927994 /nfs/dbraw/zinc/92/79/94/1034927994.db2.gz ZIYJVSVFMKMZDG-JTHBVZDNSA-N 2 1 387.543 3.856 20 30 GHEDMP C=CCCCCC[C@H]([NH3+])C(=O)N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001160284186 1034928001 /nfs/dbraw/zinc/92/80/01/1034928001.db2.gz ZIYJVSVFMKMZDG-JTHBVZDNSA-N 2 1 387.543 3.856 20 30 GHEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](C[C@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208936615 1035103074 /nfs/dbraw/zinc/10/30/74/1035103074.db2.gz ODCBWZBJDNKLSO-CCDWMCETSA-N 2 1 398.591 3.972 20 30 GHEDMP C=CCOC[C@]12CCCO[C@H]1CC[NH+](C[C@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001208936615 1035103078 /nfs/dbraw/zinc/10/30/78/1035103078.db2.gz ODCBWZBJDNKLSO-CCDWMCETSA-N 2 1 398.591 3.972 20 30 GHEDMP C=CCOC[C@]12CCCO[C@H]1CC[NH+](C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208936615 1035103083 /nfs/dbraw/zinc/10/30/83/1035103083.db2.gz ODCBWZBJDNKLSO-CCDWMCETSA-N 2 1 398.591 3.972 20 30 GHEDMP N#Cc1cccc(O[C@H]2CCC[N@@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001208955003 1035127575 /nfs/dbraw/zinc/12/75/75/1035127575.db2.gz XOFCYHOZJBMLOH-VWNXMTODSA-N 2 1 375.516 3.924 20 30 GHEDMP N#Cc1cccc(O[C@H]2CCC[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC001208955003 1035127578 /nfs/dbraw/zinc/12/75/78/1035127578.db2.gz XOFCYHOZJBMLOH-VWNXMTODSA-N 2 1 375.516 3.924 20 30 GHEDMP N#Cc1cccc(O[C@H]2CCC[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC001208955003 1035127586 /nfs/dbraw/zinc/12/75/86/1035127586.db2.gz XOFCYHOZJBMLOH-VWNXMTODSA-N 2 1 375.516 3.924 20 30 GHEDMP N#Cc1ccc(Oc2ccc(-c3noc([C@@H]([NH3+])CC4CC[NH2+]CC4)n3)cc2)cc1 ZINC001248895212 1036225828 /nfs/dbraw/zinc/22/58/28/1036225828.db2.gz BMNPNSPBONOYQG-FQEVSTJZSA-N 2 1 389.459 3.790 20 30 GHEDMP CCCCCCCCCCCCOCCOC[C@@H](O)C[N@@H+]1CCC2(C[NH2+]C2)C1 ZINC001246028654 1037146178 /nfs/dbraw/zinc/14/61/78/1037146178.db2.gz UAHQSLIRZTZXBF-QFIPXVFZSA-N 2 1 398.632 3.597 20 30 GHEDMP CCCCCCCCCCCCOCCOC[C@@H](O)C[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001246028654 1037146197 /nfs/dbraw/zinc/14/61/97/1037146197.db2.gz UAHQSLIRZTZXBF-QFIPXVFZSA-N 2 1 398.632 3.597 20 30 GHEDMP CCCCCCCCCCCCOCCOC[C@@H](O)C[N@@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001246029277 1037146301 /nfs/dbraw/zinc/14/63/01/1037146301.db2.gz VYIPHYQCYISOAL-RJGXRXQPSA-N 2 1 398.632 3.595 20 30 GHEDMP CCCCCCCCCCCCOCCOC[C@@H](O)C[N@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001246029277 1037146312 /nfs/dbraw/zinc/14/63/12/1037146312.db2.gz VYIPHYQCYISOAL-RJGXRXQPSA-N 2 1 398.632 3.595 20 30 GHEDMP C=CCOC(=O)N1CCC2(CCC[N@H+](C3C[C@H](CC)[NH2+][C@@H](CC)C3)C2)CC1 ZINC001246525857 1037458849 /nfs/dbraw/zinc/45/88/49/1037458849.db2.gz LYWXDCFNGQCNKJ-OALUTQOASA-N 2 1 377.573 3.796 20 30 GHEDMP C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@H]1CC[NH2+][C@@H](C(C)(C)C)C1)CC2 ZINC001246526827 1037460385 /nfs/dbraw/zinc/46/03/85/1037460385.db2.gz RONXRXNMHMTKTC-RBUKOAKNSA-N 2 1 377.573 3.654 20 30 GHEDMP COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccc(C#N)cc2O)CC3)c1 ZINC001233385856 1039211527 /nfs/dbraw/zinc/21/15/27/1039211527.db2.gz VPWSPWDHZHVRQY-UHFFFAOYSA-N 2 1 391.515 3.761 20 30 GHEDMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccc(C#N)cc2O)CC3)c1 ZINC001233385856 1039211540 /nfs/dbraw/zinc/21/15/40/1039211540.db2.gz VPWSPWDHZHVRQY-UHFFFAOYSA-N 2 1 391.515 3.761 20 30 GHEDMP N#Cc1ccc(C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001254588196 1040362854 /nfs/dbraw/zinc/36/28/54/1040362854.db2.gz WKFCOZPMTINIOF-FUDKSRODSA-N 2 1 390.487 3.706 20 30 GHEDMP C=CCOC(=O)N1CCCC2(CC[NH+](C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC001255673948 1041205599 /nfs/dbraw/zinc/20/55/99/1041205599.db2.gz IWYGFLLJBZKWNO-YOFSQIOKSA-N 2 1 375.557 3.502 20 30 GHEDMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+]1CCC(Oc2ccc(C#N)c(Cl)c2)CC1 ZINC001235968565 1041473590 /nfs/dbraw/zinc/47/35/90/1041473590.db2.gz IRJSSSWUYNNORM-SUMWQHHRSA-N 2 1 383.870 3.546 20 30 GHEDMP COc1ccccc1C[N@@H+](Cc1ccc(C#N)cc1OC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236711961 1041848445 /nfs/dbraw/zinc/84/84/45/1041848445.db2.gz YDGVWIAEXCGRSP-MEMLXQNLSA-N 2 1 379.504 3.848 20 30 GHEDMP C=CCOC(=O)N1CC2(C1)CC[NH+]([C@@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC001256537400 1043484621 /nfs/dbraw/zinc/48/46/21/1043484621.db2.gz NJRZQOJWKPEHDN-IFMALSPDSA-N 2 1 397.563 3.760 20 30 GHEDMP C=CCOC(=O)N1CC2(C1)CC[NH+]([C@@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC001256537400 1043484626 /nfs/dbraw/zinc/48/46/26/1043484626.db2.gz NJRZQOJWKPEHDN-IFMALSPDSA-N 2 1 397.563 3.760 20 30 GHEDMP C[N@H+]1CCC[C@H](CNC(=[NH2+])N[C@H]2CCOc3ccccc32)[C@@H]1c1cccs1 ZINC000262359434 835237551 /nfs/dbraw/zinc/23/75/51/835237551.db2.gz GNNDWAHUJLGPBZ-OXFYSEKESA-N 2 1 384.549 3.559 20 30 GHEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000180234835 836789752 /nfs/dbraw/zinc/78/97/52/836789752.db2.gz BRYGFKVNBWWKBE-HXOBKFHXSA-N 2 1 399.498 3.899 20 30 GHEDMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185685421 861196000 /nfs/dbraw/zinc/19/60/00/861196000.db2.gz FCEAJIACQGMFFN-VYDXJSESSA-N 2 1 388.943 3.781 20 30 GHEDMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185685421 861196004 /nfs/dbraw/zinc/19/60/04/861196004.db2.gz FCEAJIACQGMFFN-VYDXJSESSA-N 2 1 388.943 3.781 20 30 GHEDMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000185685865 861196103 /nfs/dbraw/zinc/19/61/03/861196103.db2.gz GVOQAMCSXQQXOZ-UXCYOCFNSA-N 2 1 388.600 3.548 20 30 GHEDMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000185685865 861196108 /nfs/dbraw/zinc/19/61/08/861196108.db2.gz GVOQAMCSXQQXOZ-UXCYOCFNSA-N 2 1 388.600 3.548 20 30 GHEDMP C=CCC(C)(C)CNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000458812096 842148520 /nfs/dbraw/zinc/14/85/20/842148520.db2.gz QLOHDZJYAXRTOG-WOJBJXKFSA-N 2 1 378.605 3.567 20 30 GHEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC(=O)Nc2sccc2C#N)cc1 ZINC000183674122 846778483 /nfs/dbraw/zinc/77/84/83/846778483.db2.gz ICWYVNHQZPNTCO-CQSZACIVSA-N 2 1 379.489 3.793 20 30 GHEDMP C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491057349 853429993 /nfs/dbraw/zinc/42/99/93/853429993.db2.gz LGAMCPFEGMLBBM-JTHBVZDNSA-N 2 1 386.580 3.743 20 30 GHEDMP C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491057349 853429997 /nfs/dbraw/zinc/42/99/97/853429997.db2.gz LGAMCPFEGMLBBM-JTHBVZDNSA-N 2 1 386.580 3.743 20 30 GHEDMP C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491057346 853430082 /nfs/dbraw/zinc/43/00/82/853430082.db2.gz LGAMCPFEGMLBBM-FYYLOGMGSA-N 2 1 386.580 3.743 20 30 GHEDMP C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491057346 853430087 /nfs/dbraw/zinc/43/00/87/853430087.db2.gz LGAMCPFEGMLBBM-FYYLOGMGSA-N 2 1 386.580 3.743 20 30 GHEDMP C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506565556 853622551 /nfs/dbraw/zinc/62/25/51/853622551.db2.gz VPJUQNKOFYJXPK-QNWVGRARSA-N 2 1 386.580 3.741 20 30 GHEDMP C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506565556 853622561 /nfs/dbraw/zinc/62/25/61/853622561.db2.gz VPJUQNKOFYJXPK-QNWVGRARSA-N 2 1 386.580 3.741 20 30 GHEDMP C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506565556 853622570 /nfs/dbraw/zinc/62/25/70/853622570.db2.gz VPJUQNKOFYJXPK-QNWVGRARSA-N 2 1 386.580 3.741 20 30 GHEDMP C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506565556 853622575 /nfs/dbraw/zinc/62/25/75/853622575.db2.gz VPJUQNKOFYJXPK-QNWVGRARSA-N 2 1 386.580 3.741 20 30 GHEDMP C=CCOc1c(Br)cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1OCC ZINC000442928023 858235051 /nfs/dbraw/zinc/23/50/51/858235051.db2.gz PCGVIHKOEZSZNV-HNNXBMFYSA-N 2 1 397.357 3.973 20 30 GHEDMP N#Cc1ccc2ncc(C[NH2+]C[C@H]3C[N@@H+](Cc4ccccc4)CC34CCC4)n2c1 ZINC000595001211 858362678 /nfs/dbraw/zinc/36/26/78/858362678.db2.gz RTUAZPDXZQIVFA-NRFANRHFSA-N 2 1 385.515 3.598 20 30 GHEDMP C[NH+]1CCN([C@@H](C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c2cccs2)CC1 ZINC000611390349 859740344 /nfs/dbraw/zinc/74/03/44/859740344.db2.gz UOJHKHBQHCKDSW-RTWAWAEBSA-N 2 1 380.561 3.575 20 30 GHEDMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCN1C ZINC000123811579 860093087 /nfs/dbraw/zinc/09/30/87/860093087.db2.gz BNDCFEUTXGQZBZ-HOTGVXAUSA-N 2 1 388.581 3.632 20 30 GHEDMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[N@@H+]1C ZINC000123811579 860093101 /nfs/dbraw/zinc/09/31/01/860093101.db2.gz BNDCFEUTXGQZBZ-HOTGVXAUSA-N 2 1 388.581 3.632 20 30 GHEDMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[N@H+]1C ZINC000123811579 860093111 /nfs/dbraw/zinc/09/31/11/860093111.db2.gz BNDCFEUTXGQZBZ-HOTGVXAUSA-N 2 1 388.581 3.632 20 30 GHEDMP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[NH+]1C ZINC000123811579 860093125 /nfs/dbraw/zinc/09/31/25/860093125.db2.gz BNDCFEUTXGQZBZ-HOTGVXAUSA-N 2 1 388.581 3.632 20 30 GHEDMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[NH+]1C ZINC000123811579 860093134 /nfs/dbraw/zinc/09/31/34/860093134.db2.gz BNDCFEUTXGQZBZ-HOTGVXAUSA-N 2 1 388.581 3.632 20 30 GHEDMP CC(C)(C#N)C[C@@H](O)C[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000598628040 860474889 /nfs/dbraw/zinc/47/48/89/860474889.db2.gz KORVFUJDQDSTCF-FGZHOGPDSA-N 2 1 383.580 3.910 20 30 GHEDMP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CC#Cc3ccc(Cl)cc3)C2)ccn1 ZINC000856589215 881559788 /nfs/dbraw/zinc/55/97/88/881559788.db2.gz HVQLDGQKHMYRHQ-QFIPXVFZSA-N 2 1 383.923 3.692 20 30 GHEDMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CC#Cc3ccc(Cl)cc3)C2)ccn1 ZINC000856589215 881559801 /nfs/dbraw/zinc/55/98/01/881559801.db2.gz HVQLDGQKHMYRHQ-QFIPXVFZSA-N 2 1 383.923 3.692 20 30 GHEDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C2)ccn1 ZINC000856589215 881559816 /nfs/dbraw/zinc/55/98/16/881559816.db2.gz HVQLDGQKHMYRHQ-QFIPXVFZSA-N 2 1 383.923 3.692 20 30 GHEDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)ccn1 ZINC000856589215 881559825 /nfs/dbraw/zinc/55/98/25/881559825.db2.gz HVQLDGQKHMYRHQ-QFIPXVFZSA-N 2 1 383.923 3.692 20 30 GHEDMP C=CCOC(=O)N[C@H]1CCC[NH+]([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168063373 864928201 /nfs/dbraw/zinc/92/82/01/864928201.db2.gz AMEBLKMIMOWATJ-MXNKGDRCSA-N 2 1 385.552 3.805 20 30 GHEDMP C=CCOC(=O)N[C@H]1CCC[NH+]([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168063373 864928207 /nfs/dbraw/zinc/92/82/07/864928207.db2.gz AMEBLKMIMOWATJ-MXNKGDRCSA-N 2 1 385.552 3.805 20 30 GHEDMP C=CCOC(=O)N[C@H]1CCC[N@@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168063373 864928214 /nfs/dbraw/zinc/92/82/14/864928214.db2.gz AMEBLKMIMOWATJ-MXNKGDRCSA-N 2 1 385.552 3.805 20 30 GHEDMP C=CCOC(=O)N[C@H]1CCC[N@H+]([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168063373 864928217 /nfs/dbraw/zinc/92/82/17/864928217.db2.gz AMEBLKMIMOWATJ-MXNKGDRCSA-N 2 1 385.552 3.805 20 30 GHEDMP N#Cc1ccc(OCC[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000534230925 866302205 /nfs/dbraw/zinc/30/22/05/866302205.db2.gz DHCYIAGKRWXAPS-UHFFFAOYSA-N 2 1 375.516 3.925 20 30 GHEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H](c2ccc(Cl)cc2)[N@H+](C)CCC)CC1 ZINC000553925686 868484027 /nfs/dbraw/zinc/48/40/27/868484027.db2.gz FUVGNIFTOSEEPY-FQEVSTJZSA-N 2 1 392.975 3.673 20 30 GHEDMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000248551827 870485275 /nfs/dbraw/zinc/48/52/75/870485275.db2.gz GVOQAMCSXQQXOZ-ITDYJDTQSA-N 2 1 388.600 3.548 20 30 GHEDMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000248551827 870485281 /nfs/dbraw/zinc/48/52/81/870485281.db2.gz GVOQAMCSXQQXOZ-ITDYJDTQSA-N 2 1 388.600 3.548 20 30 GHEDMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1)CC(C)C ZINC000539096219 871305849 /nfs/dbraw/zinc/30/58/49/871305849.db2.gz BODQJOPYTDYHMX-SIKLNZKXSA-N 2 1 378.605 3.509 20 30 GHEDMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1)CC(C)C ZINC000539100225 871315888 /nfs/dbraw/zinc/31/58/88/871315888.db2.gz TZNSEEMAXHKFLE-HXUWFJFHSA-N 2 1 390.616 3.798 20 30 GHEDMP C=C(C)COc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)ccc1OC ZINC000136565786 877258987 /nfs/dbraw/zinc/25/89/87/877258987.db2.gz PWGTXAPQFPIQJE-RTWAWAEBSA-N 2 1 388.552 3.508 20 30 GHEDMP [NH2+]=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)NC1CCCCCC1 ZINC000263144515 884170843 /nfs/dbraw/zinc/17/08/43/884170843.db2.gz OPPWRFBUCCMBPC-OAQYLSRUSA-N 2 1 398.595 3.542 20 30 GHEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)CC1 ZINC000119568200 886756830 /nfs/dbraw/zinc/75/68/30/886756830.db2.gz RKMWAMLFWZZNGY-HXUWFJFHSA-N 2 1 390.616 3.713 20 30 GHEDMP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000571468839 899877573 /nfs/dbraw/zinc/87/75/73/899877573.db2.gz SMMKHLMPXYNCTM-LADGPHEKSA-N 2 1 375.516 3.682 20 30 GHEDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)[C@H](C)C1 ZINC000571846755 899988215 /nfs/dbraw/zinc/98/82/15/899988215.db2.gz GTEXWFAXYMQWCG-BEFAXECRSA-N 2 1 383.458 3.804 20 30 GHEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)[C@H](C)C1 ZINC000571846755 899988223 /nfs/dbraw/zinc/98/82/23/899988223.db2.gz GTEXWFAXYMQWCG-BEFAXECRSA-N 2 1 383.458 3.804 20 30 GHEDMP N#CCCn1cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c(-c2ccccc2)n1 ZINC000176992190 906016367 /nfs/dbraw/zinc/01/63/67/906016367.db2.gz SAXGYGFLUGQURE-UHFFFAOYSA-N 2 1 377.536 3.960 20 30 GHEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@H+](C3CCC([NH+](CC)CC)CC3)C2)C1 ZINC001173107997 906194652 /nfs/dbraw/zinc/19/46/52/906194652.db2.gz ALAHHOYIGQBGJR-QETWGEEDSA-N 2 1 377.573 3.750 20 30 GHEDMP C=CCOC1CCC([NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)CC1 ZINC001173322320 906372394 /nfs/dbraw/zinc/37/23/94/906372394.db2.gz BXKWARANLKBGOV-NYLDSWQDSA-N 2 1 388.552 3.849 20 30 GHEDMP C[C@@H]1C[N@H+](CCCNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)C[C@H](C)O1 ZINC000304493443 915524661 /nfs/dbraw/zinc/52/46/61/915524661.db2.gz OQUXPORTSRSXDV-HDICACEKSA-N 2 1 382.508 3.705 20 30 GHEDMP C[NH+](C)Cc1ccc(-c2ccccc2C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000115596245 919459573 /nfs/dbraw/zinc/45/95/73/919459573.db2.gz GDBPCDHXCMJBTP-DEOSSOPVSA-N 2 1 398.510 3.603 20 30 GHEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])Cc1c2ccccc2cc2ccccc21 ZINC001220868149 1032161188 /nfs/dbraw/zinc/16/11/88/1032161188.db2.gz CLFPBPLOYKNTQV-RDPSFJRHSA-N 2 1 387.527 3.629 20 30 GHEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@H+](Cc1ccc(OCCC[NH+](C)C)cc1)C2 ZINC001204266153 1032709094 /nfs/dbraw/zinc/70/90/94/1032709094.db2.gz TZEIGMXUVCNCBF-DEOSSOPVSA-N 2 1 399.579 3.550 20 30 GHEDMP COc1ccc(OC)c(NC(=[NH2+])NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000303911285 1021147989 /nfs/dbraw/zinc/14/79/89/1021147989.db2.gz ZLPVVFXXGJJHLP-QGZVFWFLSA-N 2 1 396.535 3.863 20 30 GHEDMP N#Cc1ccc(Oc2ccc(Br)c(C[N@H+]3C[C@@H]4[C@@H](C[NH3+])[C@@H]4C3)c2)cc1 ZINC001204919073 1033165680 /nfs/dbraw/zinc/16/56/80/1033165680.db2.gz UEPCJQGTZNABQI-LDLYASANSA-N 2 1 398.304 3.750 20 30 GHEDMP C=CC[N@@H+](Cc1[nH]c(C)c(C(=O)NCC[NH+](CC)CC)c1C)Cc1ccccc1 ZINC001141574866 1025636225 /nfs/dbraw/zinc/63/62/25/1025636225.db2.gz GJLNZOFBVKKPHI-UHFFFAOYSA-N 2 1 396.579 3.891 20 30 GHEDMP C=CC[N@H+](Cc1[nH]c(C)c(C(=O)NCC[NH+](CC)CC)c1C)Cc1ccccc1 ZINC001141574866 1025636233 /nfs/dbraw/zinc/63/62/33/1025636233.db2.gz GJLNZOFBVKKPHI-UHFFFAOYSA-N 2 1 396.579 3.891 20 30 GHEDMP COC(=O)c1cccc(CN(c2[nH+]c(C)ccc2CC#N)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001162192163 1025660022 /nfs/dbraw/zinc/66/00/22/1025660022.db2.gz OXDGKQJSNRGNNE-MEMLXQNLSA-N 2 1 392.503 3.519 20 30 GHEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC001461554987 1069606606 /nfs/dbraw/zinc/60/66/06/1069606606.db2.gz ZJCKMPWYPIYHPG-UHFFFAOYSA-N 2 1 378.339 3.617 20 30 GHEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC001461554987 1069606610 /nfs/dbraw/zinc/60/66/10/1069606610.db2.gz ZJCKMPWYPIYHPG-UHFFFAOYSA-N 2 1 378.339 3.617 20 30 GHEDMP N#Cc1ccc(C[N@@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)s1 ZINC001222590065 1030214168 /nfs/dbraw/zinc/21/41/68/1030214168.db2.gz DGDKXAUJVVBVMD-IBGZPJMESA-N 2 1 381.545 3.923 20 30 GHEDMP N#Cc1ccc(C[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)s1 ZINC001222590065 1030214174 /nfs/dbraw/zinc/21/41/74/1030214174.db2.gz DGDKXAUJVVBVMD-IBGZPJMESA-N 2 1 381.545 3.923 20 30 GHEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](C[C@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208935789 1035102215 /nfs/dbraw/zinc/10/22/15/1035102215.db2.gz LQZPGPZRIKEDPD-HJOGWXRNSA-N 2 1 384.564 3.725 20 30 GHEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[NH+](C[C@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001208935789 1035102219 /nfs/dbraw/zinc/10/22/19/1035102219.db2.gz LQZPGPZRIKEDPD-HJOGWXRNSA-N 2 1 384.564 3.725 20 30 GHEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[NH+](C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208935789 1035102221 /nfs/dbraw/zinc/10/22/21/1035102221.db2.gz LQZPGPZRIKEDPD-HJOGWXRNSA-N 2 1 384.564 3.725 20 30 GHEDMP N#Cc1ccccc1O[C@H]1CCC[N@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208954584 1035127694 /nfs/dbraw/zinc/12/76/94/1035127694.db2.gz WNISHYBBTHSCMK-GMAHTHKFSA-N 2 1 375.516 3.924 20 30 GHEDMP N#Cc1ccccc1O[C@H]1CCC[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208954584 1035127705 /nfs/dbraw/zinc/12/77/05/1035127705.db2.gz WNISHYBBTHSCMK-GMAHTHKFSA-N 2 1 375.516 3.924 20 30 GHEDMP N#Cc1ccccc1O[C@H]1CCC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208954584 1035127711 /nfs/dbraw/zinc/12/77/11/1035127711.db2.gz WNISHYBBTHSCMK-GMAHTHKFSA-N 2 1 375.516 3.924 20 30 GHEDMP N#Cc1ccccc1O[C@H]1CCC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208954584 1035127714 /nfs/dbraw/zinc/12/77/14/1035127714.db2.gz WNISHYBBTHSCMK-GMAHTHKFSA-N 2 1 375.516 3.924 20 30 GHEDMP N#Cc1cccc(O[C@@H]2CCC[N@@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001208954992 1035128124 /nfs/dbraw/zinc/12/81/24/1035128124.db2.gz XOFCYHOZJBMLOH-ISKFKSNPSA-N 2 1 375.516 3.924 20 30 GHEDMP N#Cc1cccc(O[C@@H]2CCC[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC001208954992 1035128127 /nfs/dbraw/zinc/12/81/27/1035128127.db2.gz XOFCYHOZJBMLOH-ISKFKSNPSA-N 2 1 375.516 3.924 20 30 GHEDMP N#Cc1cccc(O[C@@H]2CCC[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC001208954992 1035128132 /nfs/dbraw/zinc/12/81/32/1035128132.db2.gz XOFCYHOZJBMLOH-ISKFKSNPSA-N 2 1 375.516 3.924 20 30 GHEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@H+]([C@H]3CCN[C@@H](c4ccccc4)C3)C2)C1 ZINC001246546911 1037473914 /nfs/dbraw/zinc/47/39/14/1037473914.db2.gz FGFFCHTVRZCZEI-QZNHQXDQSA-N 2 1 383.536 3.590 20 30 GHEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+]([C@H]3CC[NH2+][C@@H](c4ccccc4)C3)C2)C1 ZINC001246546911 1037473927 /nfs/dbraw/zinc/47/39/27/1037473927.db2.gz FGFFCHTVRZCZEI-QZNHQXDQSA-N 2 1 383.536 3.590 20 30 GHEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@H+]([C@H]3CC[NH2+][C@@H](c4ccccc4)C3)C2)C1 ZINC001246546911 1037473952 /nfs/dbraw/zinc/47/39/52/1037473952.db2.gz FGFFCHTVRZCZEI-QZNHQXDQSA-N 2 1 383.536 3.590 20 30 GHEDMP N#Cc1ccc(-c2noc(C3CC[NH+](C4CC[NH2+]CC4)CC3)n2)c2ccccc12 ZINC001247909972 1038484689 /nfs/dbraw/zinc/48/46/89/1038484689.db2.gz WXODYQLORGXVQK-UHFFFAOYSA-N 2 1 387.487 3.693 20 30 GHEDMP N#Cc1cccc(C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001254584953 1040357881 /nfs/dbraw/zinc/35/78/81/1040357881.db2.gz BJSTXHKBGZBWMC-MQSCRBSSSA-N 2 1 390.487 3.706 20 30 GHEDMP C=C(C)COc1ccccc1C[N@@H+]1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001235566577 1040992201 /nfs/dbraw/zinc/99/22/01/1040992201.db2.gz SUIXCYOSCKTHFE-UHFFFAOYSA-N 2 1 380.536 3.886 20 30 GHEDMP C=C(C)COc1ccccc1C[N@H+]1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001235566577 1040992203 /nfs/dbraw/zinc/99/22/03/1040992203.db2.gz SUIXCYOSCKTHFE-UHFFFAOYSA-N 2 1 380.536 3.886 20 30 GHEDMP N#Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)C1 ZINC001235968217 1041473997 /nfs/dbraw/zinc/47/39/97/1041473997.db2.gz GFMFBXHINKEOSS-NRFANRHFSA-N 2 1 386.499 3.660 20 30 GHEDMP N#Cc1cc(C[N@@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)ccc1Br ZINC001235978211 1041480978 /nfs/dbraw/zinc/48/09/78/1041480978.db2.gz POWOTXKPENEKKX-UHFFFAOYSA-N 2 1 396.332 3.958 20 30 GHEDMP N#Cc1cc(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)ccc1Br ZINC001235978211 1041480983 /nfs/dbraw/zinc/48/09/83/1041480983.db2.gz POWOTXKPENEKKX-UHFFFAOYSA-N 2 1 396.332 3.958 20 30 GHEDMP COc1cc(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)ccc1C#N ZINC001238406865 1042586802 /nfs/dbraw/zinc/58/68/02/1042586802.db2.gz RJVGXSUAYNCCGF-UHFFFAOYSA-N 2 1 390.531 3.838 20 30 GHEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+](C1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001256606687 1043570491 /nfs/dbraw/zinc/57/04/91/1043570491.db2.gz XEBRBPCLXRYBPK-DEOSSOPVSA-N 2 1 381.564 3.684 20 30 GHEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](C1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001256606687 1043570501 /nfs/dbraw/zinc/57/05/01/1043570501.db2.gz XEBRBPCLXRYBPK-DEOSSOPVSA-N 2 1 381.564 3.684 20 30 GHEDMP C=CCC[C@H](C)[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCc2ccccn2)C1 ZINC001258729000 1044736327 /nfs/dbraw/zinc/73/63/27/1044736327.db2.gz RVXTXJATEAHIOW-ODGPQVTHSA-N 2 1 383.580 3.987 20 30 GHEDMP C=CCC[C@H](C)[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1ccccn1 ZINC001258729000 1044736340 /nfs/dbraw/zinc/73/63/40/1044736340.db2.gz RVXTXJATEAHIOW-ODGPQVTHSA-N 2 1 383.580 3.987 20 30 GHEDMP C=CCC[C@H](C)[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1ccccn1 ZINC001258729000 1044736351 /nfs/dbraw/zinc/73/63/51/1044736351.db2.gz RVXTXJATEAHIOW-ODGPQVTHSA-N 2 1 383.580 3.987 20 30 GHEDMP Cn1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4csc(Cl)c4)C[C@H]3CC2)cc1C#N ZINC001279117153 1047724660 /nfs/dbraw/zinc/72/46/60/1047724660.db2.gz XKQPAOFXCZIRMG-HDICACEKSA-N 2 1 388.968 3.956 20 30 GHEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4csc(Cl)c4)C[C@H]3CC2)cc1C#N ZINC001279117153 1047724665 /nfs/dbraw/zinc/72/46/65/1047724665.db2.gz XKQPAOFXCZIRMG-HDICACEKSA-N 2 1 388.968 3.956 20 30 GHEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4csc(Cl)c4)C[C@H]3CC2)cc1C#N ZINC001279117153 1047724668 /nfs/dbraw/zinc/72/46/68/1047724668.db2.gz XKQPAOFXCZIRMG-HDICACEKSA-N 2 1 388.968 3.956 20 30 GHEDMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C[C@@H]2C1 ZINC001335133613 1052041039 /nfs/dbraw/zinc/04/10/39/1052041039.db2.gz KFUKRFOBYYQTGR-JAXLGGSGSA-N 2 1 377.536 3.626 20 30 GHEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)C(C)C ZINC001467660762 1067404919 /nfs/dbraw/zinc/40/49/19/1067404919.db2.gz YKYVWRSEXPHNMZ-FYYLOGMGSA-N 2 1 398.595 3.773 20 30 GHEDMP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000246134113 835970155 /nfs/dbraw/zinc/97/01/55/835970155.db2.gz ZWHJLBAPCJBKHI-WOJBJXKFSA-N 2 1 388.600 3.694 20 30 GHEDMP N#Cc1ccc2ncc(C[NH2+][C@@H]3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)n2c1 ZINC000585767377 842279463 /nfs/dbraw/zinc/27/94/63/842279463.db2.gz XKGSBPFZPXMTDP-ACIOBRDBSA-N 2 1 385.515 3.596 20 30 GHEDMP CN(CCC#N)c1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000279164014 842666756 /nfs/dbraw/zinc/66/67/56/842666756.db2.gz AXNFWWRLUIPPFQ-UHFFFAOYSA-N 2 1 377.536 3.949 20 30 GHEDMP N#CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000248405787 845303047 /nfs/dbraw/zinc/30/30/47/845303047.db2.gz RTKRNFGTXKWVCR-QPTUXGOLSA-N 2 1 375.516 3.979 20 30 GHEDMP N#Cc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1F ZINC000421385808 846200883 /nfs/dbraw/zinc/20/08/83/846200883.db2.gz RCAAFMAUKQLEPC-JOCHJYFZSA-N 2 1 393.506 3.716 20 30 GHEDMP N#CC1(c2ccccc2)CCC([NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000272760128 847164619 /nfs/dbraw/zinc/16/46/19/847164619.db2.gz PZZWARZLGRSRKM-OADZCNSWSA-N 2 1 389.543 3.747 20 30 GHEDMP COc1cccc(NC(=[NH2+])NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000262006774 850841990 /nfs/dbraw/zinc/84/19/90/850841990.db2.gz IMQHZHUQMXTRRR-LIRRHRJNSA-N 2 1 390.890 3.907 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1OCC ZINC000414953251 852861713 /nfs/dbraw/zinc/86/17/13/852861713.db2.gz JMOBBJDLPDQZHS-BBRMVZONSA-N 2 1 383.330 3.500 20 30 GHEDMP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000057843855 855738338 /nfs/dbraw/zinc/73/83/38/855738338.db2.gz WASVOVSNGHIUAQ-FQEVSTJZSA-N 2 1 396.579 3.562 20 30 GHEDMP N#Cc1ccccc1-c1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000594503101 858194528 /nfs/dbraw/zinc/19/45/28/858194528.db2.gz SMDUTLIWXYFJPW-HSZRJFAPSA-N 2 1 375.516 3.958 20 30 GHEDMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCCc4cc(C#N)ccc43)c2)CCO1 ZINC000611391255 859742415 /nfs/dbraw/zinc/74/24/15/859742415.db2.gz LIKPGQIJZJRFGM-KOSHJBKYSA-N 2 1 375.516 3.946 20 30 GHEDMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCCc4cc(C#N)ccc43)c2)CCO1 ZINC000611391255 859742421 /nfs/dbraw/zinc/74/24/21/859742421.db2.gz LIKPGQIJZJRFGM-KOSHJBKYSA-N 2 1 375.516 3.946 20 30 GHEDMP CN(CCC#N)c1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000030909934 864816679 /nfs/dbraw/zinc/81/66/79/864816679.db2.gz USUNQQJCWXTSFB-UHFFFAOYSA-N 2 1 376.548 3.833 20 30 GHEDMP N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121619235 869138227 /nfs/dbraw/zinc/13/82/27/869138227.db2.gz KTAANDPYEBGXKV-UHFFFAOYSA-N 2 1 388.943 3.738 20 30 GHEDMP CC[N@@H+](CCC1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1)CC(C)C ZINC000537994563 878679118 /nfs/dbraw/zinc/67/91/18/878679118.db2.gz GKBNYMLPYXINHH-UHFFFAOYSA-N 2 1 384.568 3.967 20 30 GHEDMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000476990991 883527337 /nfs/dbraw/zinc/52/73/37/883527337.db2.gz XZRBGTOYEWUOBU-FQEVSTJZSA-N 2 1 388.600 3.648 20 30 GHEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000476990991 883527349 /nfs/dbraw/zinc/52/73/49/883527349.db2.gz XZRBGTOYEWUOBU-FQEVSTJZSA-N 2 1 388.600 3.648 20 30 GHEDMP C=CC[NH+]1CCC(NC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)CC1 ZINC000171737612 887540085 /nfs/dbraw/zinc/54/00/85/887540085.db2.gz GIMPXJYUZVBMAT-UHFFFAOYSA-N 2 1 381.524 3.827 20 30 GHEDMP C[C@H](CC1(C#N)CCOCC1)Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000876866405 893366622 /nfs/dbraw/zinc/36/66/22/893366622.db2.gz FIFDQIKLKMGJET-LJQANCHMSA-N 2 1 384.568 3.975 20 30 GHEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000568618406 897988490 /nfs/dbraw/zinc/98/84/90/897988490.db2.gz MNEYZOGEWPRJCZ-HXUWFJFHSA-N 2 1 377.532 3.786 20 30 GHEDMP C[C@H]1C[C@H](NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171734606 905016542 /nfs/dbraw/zinc/01/65/42/905016542.db2.gz OVGVFDJMDAVSBS-URXFXBBRSA-N 2 1 388.559 3.797 20 30 GHEDMP C[C@H]1C[C@@H](NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171734608 905016892 /nfs/dbraw/zinc/01/68/92/905016892.db2.gz OVGVFDJMDAVSBS-XUZZJYLKSA-N 2 1 388.559 3.797 20 30 GHEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001172303394 905457314 /nfs/dbraw/zinc/45/73/14/905457314.db2.gz CNPKCGWUUCMQDE-SIKLNZKXSA-N 2 1 393.531 3.838 20 30 GHEDMP C[C@@H](CCCC#N)[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCc2cccnc2)C1 ZINC001172496347 905597120 /nfs/dbraw/zinc/59/71/20/905597120.db2.gz ZQNVYYLBLSMJMV-NKKJXINNSA-N 2 1 396.579 3.714 20 30 GHEDMP C[C@@H](CCCC#N)[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001172496347 905597140 /nfs/dbraw/zinc/59/71/40/905597140.db2.gz ZQNVYYLBLSMJMV-NKKJXINNSA-N 2 1 396.579 3.714 20 30 GHEDMP C[C@@H](CCCC#N)[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001172496347 905597150 /nfs/dbraw/zinc/59/71/50/905597150.db2.gz ZQNVYYLBLSMJMV-NKKJXINNSA-N 2 1 396.579 3.714 20 30 GHEDMP COC[C@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+]([C@H](C)CCCC#N)CC2 ZINC001172497158 905600287 /nfs/dbraw/zinc/60/02/87/905600287.db2.gz YYTKWZGJVVTLCV-QZTJIDSGSA-N 2 1 376.570 3.528 20 30 GHEDMP CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)C[C@H]1C#N ZINC001172986548 906051118 /nfs/dbraw/zinc/05/11/18/906051118.db2.gz XKJWLOFTHORNRX-AABGKKOBSA-N 2 1 390.572 3.618 20 30 GHEDMP CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)C[C@H]1C#N ZINC001172986548 906051125 /nfs/dbraw/zinc/05/11/25/906051125.db2.gz XKJWLOFTHORNRX-AABGKKOBSA-N 2 1 390.572 3.618 20 30 GHEDMP N#Cc1ccc([C@H](O)CN2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000248008091 911590684 /nfs/dbraw/zinc/59/06/84/911590684.db2.gz KZWHCXKZPMNNET-WXFUMESZSA-N 2 1 375.516 3.578 20 30 GHEDMP N#Cc1ccc([C@H](O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000248008091 911590689 /nfs/dbraw/zinc/59/06/89/911590689.db2.gz KZWHCXKZPMNNET-WXFUMESZSA-N 2 1 375.516 3.578 20 30 GHEDMP N#Cc1ccc([C@H](O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000248008091 911590698 /nfs/dbraw/zinc/59/06/98/911590698.db2.gz KZWHCXKZPMNNET-WXFUMESZSA-N 2 1 375.516 3.578 20 30 GHEDMP N#Cc1ccc([C@H](O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000248008091 911590703 /nfs/dbraw/zinc/59/07/03/911590703.db2.gz KZWHCXKZPMNNET-WXFUMESZSA-N 2 1 375.516 3.578 20 30 GHEDMP N#Cc1ccc([C@H](O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000248008091 911590709 /nfs/dbraw/zinc/59/07/09/911590709.db2.gz KZWHCXKZPMNNET-WXFUMESZSA-N 2 1 375.516 3.578 20 30 GHEDMP COc1ccc(NC(=[NH2+])NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1Cl ZINC000303721207 915088196 /nfs/dbraw/zinc/08/81/96/915088196.db2.gz XIEQRACWDPEECL-INIZCTEOSA-N 2 1 376.888 3.895 20 30 GHEDMP COc1cc(C#N)ccc1OCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000303769466 915113723 /nfs/dbraw/zinc/11/37/23/915113723.db2.gz BKODDLWCAIRMCT-DENIHFKCSA-N 2 1 393.531 3.931 20 30 GHEDMP COc1cc(C#N)ccc1OCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000303769466 915113727 /nfs/dbraw/zinc/11/37/27/915113727.db2.gz BKODDLWCAIRMCT-DENIHFKCSA-N 2 1 393.531 3.931 20 30 GHEDMP COc1cc(C#N)ccc1OCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000303769466 915113735 /nfs/dbraw/zinc/11/37/35/915113735.db2.gz BKODDLWCAIRMCT-DENIHFKCSA-N 2 1 393.531 3.931 20 30 GHEDMP COc1cc(C#N)ccc1OCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000303769466 915113740 /nfs/dbraw/zinc/11/37/40/915113740.db2.gz BKODDLWCAIRMCT-DENIHFKCSA-N 2 1 393.531 3.931 20 30 GHEDMP CCc1cccc(NC(=[NH2+])NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000303882528 915294390 /nfs/dbraw/zinc/29/43/90/915294390.db2.gz IDWDEOPJNXXKSW-HDICACEKSA-N 2 1 380.536 3.785 20 30 GHEDMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000558016136 931803395 /nfs/dbraw/zinc/80/33/95/931803395.db2.gz ZOMXJZLLGMHSDZ-GOSISDBHSA-N 2 1 380.511 3.686 20 30 GHEDMP C[N@@H+]1CCCC[C@H]1CC[NH+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944660 1018775516 /nfs/dbraw/zinc/77/55/16/1018775516.db2.gz ZWDZVKBGDVSAMI-SDDRHHMPSA-N 2 1 394.350 3.964 20 30 GHEDMP C[N@H+]1CCCC[C@H]1CC[NH+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944660 1018775520 /nfs/dbraw/zinc/77/55/20/1018775520.db2.gz ZWDZVKBGDVSAMI-SDDRHHMPSA-N 2 1 394.350 3.964 20 30 GHEDMP C[NH+]1CCCC[C@H]1CC[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944660 1018775525 /nfs/dbraw/zinc/77/55/25/1018775525.db2.gz ZWDZVKBGDVSAMI-SDDRHHMPSA-N 2 1 394.350 3.964 20 30 GHEDMP C[NH+]1CCCC[C@H]1CC[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944660 1018775531 /nfs/dbraw/zinc/77/55/31/1018775531.db2.gz ZWDZVKBGDVSAMI-SDDRHHMPSA-N 2 1 394.350 3.964 20 30 GHEDMP N#Cc1cc2c(cccc2NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)[nH]1 ZINC001162935741 1025973841 /nfs/dbraw/zinc/97/38/41/1025973841.db2.gz UNSFEHRAUZYDTD-HXUWFJFHSA-N 2 1 399.542 3.953 20 30 GHEDMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cc(F)cc(C#N)c1)CC2 ZINC001139876845 1026693373 /nfs/dbraw/zinc/69/33/73/1026693373.db2.gz NZCSHEILTBGOLF-HSZRJFAPSA-N 2 1 393.506 3.953 20 30 GHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)CC1 ZINC000842681953 1029488351 /nfs/dbraw/zinc/48/83/51/1029488351.db2.gz KQIKMXVDKFSKCQ-NLWGTHIKSA-N 2 1 377.573 3.652 20 30 GHEDMP CCCCCCCCc1ccc(C[N@@H+]2CC(=O)NC3(CC[NH2+]CC3)C2)s1 ZINC001222521448 1030179674 /nfs/dbraw/zinc/17/96/74/1030179674.db2.gz RVWQZZYAPXOTEI-UHFFFAOYSA-N 2 1 377.598 3.705 20 30 GHEDMP CCCCCCCCc1ccc(C[N@H+]2CC(=O)NC3(CC[NH2+]CC3)C2)s1 ZINC001222521448 1030179689 /nfs/dbraw/zinc/17/96/89/1030179689.db2.gz RVWQZZYAPXOTEI-UHFFFAOYSA-N 2 1 377.598 3.705 20 30 GHEDMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](CCCc1cccc(C#N)c1)CC2 ZINC001208849264 1035055905 /nfs/dbraw/zinc/05/59/05/1035055905.db2.gz CLZNDLFCQKBFKM-QFIPXVFZSA-N 2 1 393.531 3.839 20 30 GHEDMP CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]C1(C[NH3+])CCC1 ZINC001246009917 1037130050 /nfs/dbraw/zinc/13/00/50/1037130050.db2.gz JOKFBNAHCCOYTD-NRFANRHFSA-N 2 1 386.621 3.772 20 30 GHEDMP CCCCCCCCCCCCOCCOC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001246032158 1037150553 /nfs/dbraw/zinc/15/05/53/1037150553.db2.gz KDVFBXJZEUOBEI-MLCQCVOFSA-N 2 1 398.632 3.723 20 30 GHEDMP C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1)CC2 ZINC001246526829 1037460342 /nfs/dbraw/zinc/46/03/42/1037460342.db2.gz RONXRXNMHMTKTC-RTBURBONSA-N 2 1 377.573 3.654 20 30 GHEDMP CCOC(=O)[C@H]1CC2(C[N@H+]1C1CCC(c3ccc(C#N)cc3)CC1)CC[NH2+]CC2 ZINC001246602446 1037498593 /nfs/dbraw/zinc/49/85/93/1037498593.db2.gz LJNZBLRQUQXDEX-LZBANZJXSA-N 2 1 395.547 3.592 20 30 GHEDMP C=CCN1C(=O)CCC[C@]12CCC[N@@H+]([C@@H]1CC[NH2+][C@@H](c3ccc(F)cc3C)C1)C2 ZINC001246709169 1037562443 /nfs/dbraw/zinc/56/24/43/1037562443.db2.gz SFMLZNHAEBHTON-KIFXHHALSA-N 2 1 399.554 3.960 20 30 GHEDMP C=CCN1C(=O)CCC[C@]12CCC[N@H+]([C@@H]1CC[NH2+][C@@H](c3ccc(F)cc3C)C1)C2 ZINC001246709169 1037562456 /nfs/dbraw/zinc/56/24/56/1037562456.db2.gz SFMLZNHAEBHTON-KIFXHHALSA-N 2 1 399.554 3.960 20 30 GHEDMP N#Cc1ccccc1O[C@@H]1CCC[N@@H+]([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C1 ZINC001246844205 1037670817 /nfs/dbraw/zinc/67/08/17/1037670817.db2.gz LMAZNLGGIJNFGO-DNVJHFABSA-N 2 1 375.516 3.765 20 30 GHEDMP N#Cc1ccccc1O[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C1 ZINC001246844205 1037670823 /nfs/dbraw/zinc/67/08/23/1037670823.db2.gz LMAZNLGGIJNFGO-DNVJHFABSA-N 2 1 375.516 3.765 20 30 GHEDMP COc1ccc(C[N@@H+]([C@@H](C)Cc2ccc(C#N)cc2)C2CC[NH2+]CC2)cc1F ZINC001246963900 1037785977 /nfs/dbraw/zinc/78/59/77/1037785977.db2.gz ZYXFSIACCDOVKA-KRWDZBQOSA-N 2 1 381.495 3.891 20 30 GHEDMP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cc(F)ccc1C#N)CC2 ZINC001232890839 1038679977 /nfs/dbraw/zinc/67/99/77/1038679977.db2.gz BFGKMNCMUVHPSK-HSZRJFAPSA-N 2 1 393.506 3.953 20 30 GHEDMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cc(F)ccc1C#N)CC2 ZINC001232890839 1038679980 /nfs/dbraw/zinc/67/99/80/1038679980.db2.gz BFGKMNCMUVHPSK-HSZRJFAPSA-N 2 1 393.506 3.953 20 30 GHEDMP Cc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)c(C#N)c1 ZINC001232966656 1038741119 /nfs/dbraw/zinc/74/11/19/1038741119.db2.gz VJBMSMAAMAVUOB-UHFFFAOYSA-N 2 1 375.516 3.734 20 30 GHEDMP Cc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c(C#N)c1 ZINC001232966656 1038741126 /nfs/dbraw/zinc/74/11/26/1038741126.db2.gz VJBMSMAAMAVUOB-UHFFFAOYSA-N 2 1 375.516 3.734 20 30 GHEDMP CN(CCC#N)c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1 ZINC001235375360 1040887222 /nfs/dbraw/zinc/88/72/22/1040887222.db2.gz ZNURZLSCNDLTRS-ILBGXUMGSA-N 2 1 388.559 3.790 20 30 GHEDMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ccccc1CC#N)CC2 ZINC001235514389 1040970401 /nfs/dbraw/zinc/97/04/01/1040970401.db2.gz OZDKYOSTZLQKPC-OAQYLSRUSA-N 2 1 379.504 3.601 20 30 GHEDMP N#Cc1ccc(C[N@@H+](C2CCN(c3cc[nH+]cc3)CC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001256854644 1043703862 /nfs/dbraw/zinc/70/38/62/1043703862.db2.gz XBOPZFFGDQKVKW-AFARHQOCSA-N 3 1 389.547 3.694 20 30 GHEDMP COc1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)ccc1C#N ZINC001308548471 1050005419 /nfs/dbraw/zinc/00/54/19/1050005419.db2.gz VKKULBMZYRFWEL-XPWALMASSA-N 2 1 375.516 3.957 20 30 GHEDMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001332362587 1051506300 /nfs/dbraw/zinc/50/63/00/1051506300.db2.gz YTOHWHHAACYRCA-OALUTQOASA-N 2 1 392.588 3.627 20 30 GHEDMP N#CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001342063148 1061035042 /nfs/dbraw/zinc/03/50/42/1061035042.db2.gz LOUUFPZEYNUQGJ-QPTUXGOLSA-N 2 1 375.516 3.979 20 30 GHEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000180234800 836789704 /nfs/dbraw/zinc/78/97/04/836789704.db2.gz BRYGFKVNBWWKBE-UZUQRXQVSA-N 2 1 399.498 3.899 20 30 GHEDMP [NH2+]=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1ccc(OC(F)(F)F)cc1 ZINC000195291135 840446562 /nfs/dbraw/zinc/44/65/62/840446562.db2.gz YGNSQMHUOGVYPV-INIZCTEOSA-N 2 1 392.425 3.834 20 30 GHEDMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H](C(=O)N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)CC[NH+]1C ZINC000329441864 861437076 /nfs/dbraw/zinc/43/70/76/861437076.db2.gz LCXZPZZUBOKHLD-DNDRQTMDSA-N 2 1 392.588 3.671 20 30 GHEDMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H](C(=O)N[C@@H]3CC[NH+](C)[C@@H](C)C3)CC2)CC[N@@H+]1C ZINC000329441864 861437082 /nfs/dbraw/zinc/43/70/82/861437082.db2.gz LCXZPZZUBOKHLD-DNDRQTMDSA-N 2 1 392.588 3.671 20 30 GHEDMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H](C(=O)N[C@@H]3CC[NH+](C)[C@@H](C)C3)CC2)CC[N@H+]1C ZINC000329441864 861437088 /nfs/dbraw/zinc/43/70/88/861437088.db2.gz LCXZPZZUBOKHLD-DNDRQTMDSA-N 2 1 392.588 3.671 20 30 GHEDMP C[N@@H+]1CCCC12CC[NH+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)CC2 ZINC000329624809 861812465 /nfs/dbraw/zinc/81/24/65/861812465.db2.gz GIKDCFYQISNXLR-UHFFFAOYSA-N 2 1 378.904 3.762 20 30 GHEDMP C[N@H+]1CCCC12CC[NH+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)CC2 ZINC000329624809 861812485 /nfs/dbraw/zinc/81/24/85/861812485.db2.gz GIKDCFYQISNXLR-UHFFFAOYSA-N 2 1 378.904 3.762 20 30 GHEDMP C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506565554 853622934 /nfs/dbraw/zinc/62/29/34/853622934.db2.gz VPJUQNKOFYJXPK-FUPPJEDESA-N 2 1 386.580 3.741 20 30 GHEDMP C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506565554 853622938 /nfs/dbraw/zinc/62/29/38/853622938.db2.gz VPJUQNKOFYJXPK-FUPPJEDESA-N 2 1 386.580 3.741 20 30 GHEDMP C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506565554 853622941 /nfs/dbraw/zinc/62/29/41/853622941.db2.gz VPJUQNKOFYJXPK-FUPPJEDESA-N 2 1 386.580 3.741 20 30 GHEDMP C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506565554 853622943 /nfs/dbraw/zinc/62/29/43/853622943.db2.gz VPJUQNKOFYJXPK-FUPPJEDESA-N 2 1 386.580 3.741 20 30 GHEDMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCC(=O)Nc3cccc(C#N)c3)C2)s1 ZINC000571407477 853871114 /nfs/dbraw/zinc/87/11/14/853871114.db2.gz AKFSYUJMWABUEF-LJQANCHMSA-N 2 1 396.560 3.711 20 30 GHEDMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCC(=O)Nc3cccc(C#N)c3)C2)s1 ZINC000571407477 853871115 /nfs/dbraw/zinc/87/11/15/853871115.db2.gz AKFSYUJMWABUEF-LJQANCHMSA-N 2 1 396.560 3.711 20 30 GHEDMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCC(=O)Nc3cccc(C#N)c3)C2)s1 ZINC000571407477 853871119 /nfs/dbraw/zinc/87/11/19/853871119.db2.gz AKFSYUJMWABUEF-LJQANCHMSA-N 2 1 396.560 3.711 20 30 GHEDMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000114197216 857936912 /nfs/dbraw/zinc/93/69/12/857936912.db2.gz LQLPDGAYTNBCJL-UHFFFAOYSA-N 2 1 376.932 3.594 20 30 GHEDMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000114197216 857936917 /nfs/dbraw/zinc/93/69/17/857936917.db2.gz LQLPDGAYTNBCJL-UHFFFAOYSA-N 2 1 376.932 3.594 20 30 GHEDMP N#CCCn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(-c2ccccc2)n1 ZINC000596059036 858767118 /nfs/dbraw/zinc/76/71/18/858767118.db2.gz MBDJDIDOMGNAJO-FQEVSTJZSA-N 2 1 377.536 3.675 20 30 GHEDMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCCc4cc(C#N)ccc43)c2)CCO1 ZINC000611391254 859741517 /nfs/dbraw/zinc/74/15/17/859741517.db2.gz LIKPGQIJZJRFGM-HOYKHHGWSA-N 2 1 375.516 3.946 20 30 GHEDMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCCc4cc(C#N)ccc43)c2)CCO1 ZINC000611391254 859741522 /nfs/dbraw/zinc/74/15/22/859741522.db2.gz LIKPGQIJZJRFGM-HOYKHHGWSA-N 2 1 375.516 3.946 20 30 GHEDMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCN1C ZINC000123811405 860093523 /nfs/dbraw/zinc/09/35/23/860093523.db2.gz BNDCFEUTXGQZBZ-CVEARBPZSA-N 2 1 388.581 3.632 20 30 GHEDMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[N@@H+]1C ZINC000123811405 860093534 /nfs/dbraw/zinc/09/35/34/860093534.db2.gz BNDCFEUTXGQZBZ-CVEARBPZSA-N 2 1 388.581 3.632 20 30 GHEDMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[N@H+]1C ZINC000123811405 860093546 /nfs/dbraw/zinc/09/35/46/860093546.db2.gz BNDCFEUTXGQZBZ-CVEARBPZSA-N 2 1 388.581 3.632 20 30 GHEDMP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[NH+]1C ZINC000123811405 860093559 /nfs/dbraw/zinc/09/35/59/860093559.db2.gz BNDCFEUTXGQZBZ-CVEARBPZSA-N 2 1 388.581 3.632 20 30 GHEDMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[NH+]1C ZINC000123811405 860093570 /nfs/dbraw/zinc/09/35/70/860093570.db2.gz BNDCFEUTXGQZBZ-CVEARBPZSA-N 2 1 388.581 3.632 20 30 GHEDMP N#Cc1cccc(CN2CCC([NH2+]C3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC000593687206 860851230 /nfs/dbraw/zinc/85/12/30/860851230.db2.gz GVNNYPFZGZTBRD-UHFFFAOYSA-N 2 1 388.559 3.777 20 30 GHEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCCCC2)cc1 ZINC000183139777 866267604 /nfs/dbraw/zinc/26/76/04/866267604.db2.gz PBXHRVYZKCGPRJ-SJORKVTESA-N 2 1 379.508 3.563 20 30 GHEDMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1)CC(C)C ZINC001192489084 870462569 /nfs/dbraw/zinc/46/25/69/870462569.db2.gz ADSBQLORLUNWAV-IBGZPJMESA-N 2 1 384.568 3.965 20 30 GHEDMP CN(CCC#N)c1ccc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000103174011 871420284 /nfs/dbraw/zinc/42/02/84/871420284.db2.gz VVMUPOVQYHOWLH-HSZRJFAPSA-N 2 1 376.548 3.691 20 30 GHEDMP C=CC[C@H]1[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCCC1(C)C ZINC001169843481 871934302 /nfs/dbraw/zinc/93/43/02/871934302.db2.gz DYEABGLNLYCHHI-JOCHJYFZSA-N 2 1 383.580 3.965 20 30 GHEDMP C#CCOc1ccc(C[N@@H+](CCC)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1 ZINC000769422557 874038686 /nfs/dbraw/zinc/03/86/86/874038686.db2.gz JRYOPIZYPXCDJO-UHFFFAOYSA-N 2 1 392.547 3.986 20 30 GHEDMP C#CCOc1ccc(C[N@H+](CCC)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1 ZINC000769422557 874038699 /nfs/dbraw/zinc/03/86/99/874038699.db2.gz JRYOPIZYPXCDJO-UHFFFAOYSA-N 2 1 392.547 3.986 20 30 GHEDMP C[NH+](C)Cc1ccc(C[N@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)cc1 ZINC000859214828 883668768 /nfs/dbraw/zinc/66/87/68/883668768.db2.gz UMGCTSCCUXSYLO-UHFFFAOYSA-N 2 1 398.938 3.780 20 30 GHEDMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)cc1 ZINC000859214828 883668780 /nfs/dbraw/zinc/66/87/80/883668780.db2.gz UMGCTSCCUXSYLO-UHFFFAOYSA-N 2 1 398.938 3.780 20 30 GHEDMP C[C@@H]([NH3+])C1CCC(C(=O)N=C2C=C[NH+](c3ccc(CCC#N)cc3)C=C2)CC1 ZINC001170493807 884225397 /nfs/dbraw/zinc/22/53/97/884225397.db2.gz RQGKZZMQESMKDU-QHGAOEGBSA-N 2 1 376.504 3.514 20 30 GHEDMP N#Cc1cccc([N+](=O)[O-])c1CN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000459394319 893449797 /nfs/dbraw/zinc/44/97/97/893449797.db2.gz SLPYJPKJUSUTBI-UHFFFAOYSA-N 2 1 390.487 3.955 20 30 GHEDMP C#CCOc1ccc(Br)cc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000131781835 897573814 /nfs/dbraw/zinc/57/38/14/897573814.db2.gz JIRYECYUXMZGQD-AYHJJNSGSA-N 2 1 377.326 3.566 20 30 GHEDMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(N(C)CCC#N)cc3)c2)CCO1 ZINC000067976680 901070981 /nfs/dbraw/zinc/07/09/81/901070981.db2.gz DPIGPWVCESISAT-HXUWFJFHSA-N 2 1 392.547 3.547 20 30 GHEDMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(N(C)CCC#N)cc3)c2)CCO1 ZINC000067976680 901070995 /nfs/dbraw/zinc/07/09/95/901070995.db2.gz DPIGPWVCESISAT-HXUWFJFHSA-N 2 1 392.547 3.547 20 30 GHEDMP [NH2+]=C(Nc1cc(Br)cc2c[nH+]cn21)c1ccc2cc(O)ccc2c1 ZINC001171185469 902213276 /nfs/dbraw/zinc/21/32/76/902213276.db2.gz LCCVCBWOTFZOHQ-UHFFFAOYSA-N 2 1 381.233 3.993 20 30 GHEDMP C#Cc1ccc(C[NH+]2CCC3(C[C@@H](COC)[N@@H+](Cc4nccs4)C3)CC2)cc1 ZINC001144568844 902398807 /nfs/dbraw/zinc/39/88/07/902398807.db2.gz GAFJRAVDOIMJFY-NRFANRHFSA-N 2 1 395.572 3.628 20 30 GHEDMP C#Cc1ccc(C[NH+]2CCC3(C[C@@H](COC)[N@H+](Cc4nccs4)C3)CC2)cc1 ZINC001144568844 902398823 /nfs/dbraw/zinc/39/88/23/902398823.db2.gz GAFJRAVDOIMJFY-NRFANRHFSA-N 2 1 395.572 3.628 20 30 GHEDMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@@H](C)Cc3ccc(C#N)cc3)CC[C@@H]21 ZINC001172306584 905460976 /nfs/dbraw/zinc/46/09/76/905460976.db2.gz DAEZZTHUKWVPTP-UQAQOTMJSA-N 2 1 391.563 3.559 20 30 GHEDMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+]([C@@H](C)Cc3ccc(C#N)cc3)CC[C@@H]21 ZINC001172306584 905460983 /nfs/dbraw/zinc/46/09/83/905460983.db2.gz DAEZZTHUKWVPTP-UQAQOTMJSA-N 2 1 391.563 3.559 20 30 GHEDMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+]([C@@H](C)Cc3ccc(C#N)cc3)CC[C@@H]21 ZINC001172306584 905460991 /nfs/dbraw/zinc/46/09/91/905460991.db2.gz DAEZZTHUKWVPTP-UQAQOTMJSA-N 2 1 391.563 3.559 20 30 GHEDMP CCCCCCC[C@@H](CCC)[N@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001172511570 905605861 /nfs/dbraw/zinc/60/58/61/905605861.db2.gz UFAKVHNNNWZOSE-GOSISDBHSA-N 2 1 392.588 3.853 20 30 GHEDMP CC1(C#N)CCC([N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)CC1 ZINC001173595428 906548289 /nfs/dbraw/zinc/54/82/89/906548289.db2.gz OVUIKGCOWAMKTI-FPPAHVCDSA-N 2 1 385.596 3.919 20 30 GHEDMP CC1(C#N)CCC([NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)CC1 ZINC001173595428 906548302 /nfs/dbraw/zinc/54/83/02/906548302.db2.gz OVUIKGCOWAMKTI-FPPAHVCDSA-N 2 1 385.596 3.919 20 30 GHEDMP CC1(C#N)CCC([NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)CC1 ZINC001173595428 906548315 /nfs/dbraw/zinc/54/83/15/906548315.db2.gz OVUIKGCOWAMKTI-FPPAHVCDSA-N 2 1 385.596 3.919 20 30 GHEDMP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC001175690595 907697282 /nfs/dbraw/zinc/69/72/82/907697282.db2.gz ZUVCAADYIRKVSR-SNCIUUNGSA-N 2 1 376.589 3.504 20 30 GHEDMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3cc(C#N)cs3)CC2)c1C ZINC000558424075 931996890 /nfs/dbraw/zinc/99/68/90/931996890.db2.gz VAFABPRNVUBVHR-UHFFFAOYSA-N 2 1 384.549 3.737 20 30 GHEDMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3cc(C#N)cs3)CC2)c1C ZINC000558424075 931996894 /nfs/dbraw/zinc/99/68/94/931996894.db2.gz VAFABPRNVUBVHR-UHFFFAOYSA-N 2 1 384.549 3.737 20 30 GHEDMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001141291342 1024420298 /nfs/dbraw/zinc/42/02/98/1024420298.db2.gz GOZBSBNNPWKGID-BJKOFHAPSA-N 2 1 390.531 3.561 20 30 GHEDMP C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(-n3cc[nH+]c3C)cc1)C2 ZINC001138542588 1024984643 /nfs/dbraw/zinc/98/46/43/1024984643.db2.gz GCPFCBPWPCLUOZ-PKTZIBPZSA-N 2 1 381.520 3.754 20 30 GHEDMP C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(-n3cc[nH+]c3C)cc1)C2 ZINC001138542588 1024984644 /nfs/dbraw/zinc/98/46/44/1024984644.db2.gz GCPFCBPWPCLUOZ-PKTZIBPZSA-N 2 1 381.520 3.754 20 30 GHEDMP C#CCOc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cc1 ZINC001138558019 1025020276 /nfs/dbraw/zinc/02/02/76/1025020276.db2.gz LGHPNZQNENJIMG-UHFFFAOYSA-N 2 1 375.516 3.582 20 30 GHEDMP N#Cc1ncc(Cl)cc1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162933751 1025972598 /nfs/dbraw/zinc/97/25/98/1025972598.db2.gz HSYMJYKYMPDODM-SFHVURJKSA-N 2 1 395.938 3.520 20 30 GHEDMP N#Cc1ccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c2cc[nH]c21 ZINC001162941702 1025978497 /nfs/dbraw/zinc/97/84/97/1025978497.db2.gz ZQNDDJYVJGHFSG-NRFANRHFSA-N 2 1 399.542 3.953 20 30 GHEDMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(C#N)c(F)c1)CC2 ZINC001139528103 1026387240 /nfs/dbraw/zinc/38/72/40/1026387240.db2.gz MKLVTMOGEXQMEP-LJQANCHMSA-N 2 1 383.467 3.546 20 30 GHEDMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(F)cc(C#N)c1)CC2 ZINC001139877488 1026693776 /nfs/dbraw/zinc/69/37/76/1026693776.db2.gz LFBWKIMRBGDBKB-FQEVSTJZSA-N 2 1 383.467 3.546 20 30 GHEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC001220600197 1032004337 /nfs/dbraw/zinc/00/43/37/1032004337.db2.gz CZRGTXYSRVTWID-FYYLOGMGSA-N 2 1 398.595 3.601 20 30 GHEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC001220600197 1032004354 /nfs/dbraw/zinc/00/43/54/1032004354.db2.gz CZRGTXYSRVTWID-FYYLOGMGSA-N 2 1 398.595 3.601 20 30 GHEDMP COc1cc(C#N)ccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001231618533 1034776438 /nfs/dbraw/zinc/77/64/38/1034776438.db2.gz NWGPISQAVVIWNK-AJSBUHFISA-N 2 1 390.531 3.694 20 30 GHEDMP COc1cc(C#N)ccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@H]2C1 ZINC001231618533 1034776443 /nfs/dbraw/zinc/77/64/43/1034776443.db2.gz NWGPISQAVVIWNK-AJSBUHFISA-N 2 1 390.531 3.694 20 30 GHEDMP COc1cc(C#N)ccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001231618533 1034776448 /nfs/dbraw/zinc/77/64/48/1034776448.db2.gz NWGPISQAVVIWNK-AJSBUHFISA-N 2 1 390.531 3.694 20 30 GHEDMP COc1cc(C#N)ccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001231618533 1034776451 /nfs/dbraw/zinc/77/64/51/1034776451.db2.gz NWGPISQAVVIWNK-AJSBUHFISA-N 2 1 390.531 3.694 20 30 GHEDMP C#Cc1cccc(C[NH+]2CCC3(C[C@@H](COC)[N@@H+](Cc4nccs4)C3)CC2)c1 ZINC001231656099 1034813275 /nfs/dbraw/zinc/81/32/75/1034813275.db2.gz XQOZKWJEMJCOKX-NRFANRHFSA-N 2 1 395.572 3.628 20 30 GHEDMP C#Cc1cccc(C[NH+]2CCC3(C[C@@H](COC)[N@H+](Cc4nccs4)C3)CC2)c1 ZINC001231656099 1034813289 /nfs/dbraw/zinc/81/32/89/1034813289.db2.gz XQOZKWJEMJCOKX-NRFANRHFSA-N 2 1 395.572 3.628 20 30 GHEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1cc(F)cc(C[NH+](C)C)c1)[C@H]2CC ZINC001232149702 1035127991 /nfs/dbraw/zinc/12/79/91/1035127991.db2.gz XXFZLJUHPQFCNL-GMAHTHKFSA-N 2 1 387.543 3.809 20 30 GHEDMP CCCCCCCCCCCCOCCOC[C@H](O)C[N@@H+]1CCC2(C[NH2+]C2)C1 ZINC001246028652 1037147341 /nfs/dbraw/zinc/14/73/41/1037147341.db2.gz UAHQSLIRZTZXBF-JOCHJYFZSA-N 2 1 398.632 3.597 20 30 GHEDMP CCCCCCCCCCCCOCCOC[C@H](O)C[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001246028652 1037147361 /nfs/dbraw/zinc/14/73/61/1037147361.db2.gz UAHQSLIRZTZXBF-JOCHJYFZSA-N 2 1 398.632 3.597 20 30 GHEDMP COC(=O)c1cccc(C[N@@H+]([C@H](C)Cc2ccc(C#N)cc2)C2CC[NH2+]CC2)c1 ZINC001246959903 1037778293 /nfs/dbraw/zinc/77/82/93/1037778293.db2.gz UIMFDUIUJKMWIC-GOSISDBHSA-N 2 1 391.515 3.530 20 30 GHEDMP CCc1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)ccc1C#N ZINC001238774477 1042722672 /nfs/dbraw/zinc/72/26/72/1042722672.db2.gz IZRPLGNMPAFQBG-UHFFFAOYSA-N 2 1 389.543 3.988 20 30 GHEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001256603613 1043567280 /nfs/dbraw/zinc/56/72/80/1043567280.db2.gz HYLZJRBZFZFMDE-XMMPIXPASA-N 2 1 397.563 3.762 20 30 GHEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001256603613 1043567290 /nfs/dbraw/zinc/56/72/90/1043567290.db2.gz HYLZJRBZFZFMDE-XMMPIXPASA-N 2 1 397.563 3.762 20 30 GHEDMP N#Cc1cccc([C@H](O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC001307522778 1049367917 /nfs/dbraw/zinc/36/79/17/1049367917.db2.gz CIHNQGCPUDSYDS-TZRRMPRUSA-N 2 1 375.516 3.578 20 30 GHEDMP N#Cc1cccc([C@H](O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC001307522778 1049367920 /nfs/dbraw/zinc/36/79/20/1049367920.db2.gz CIHNQGCPUDSYDS-TZRRMPRUSA-N 2 1 375.516 3.578 20 30 GHEDMP N#Cc1cccc([C@H](O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC001307522778 1049367932 /nfs/dbraw/zinc/36/79/32/1049367932.db2.gz CIHNQGCPUDSYDS-TZRRMPRUSA-N 2 1 375.516 3.578 20 30 GHEDMP N#Cc1cccc([C@H](O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC001307522778 1049367949 /nfs/dbraw/zinc/36/79/49/1049367949.db2.gz CIHNQGCPUDSYDS-TZRRMPRUSA-N 2 1 375.516 3.578 20 30 GHEDMP C[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC001348957535 1063442243 /nfs/dbraw/zinc/44/22/43/1063442243.db2.gz ISUNAYCTWSCIGN-RXVVDRJESA-N 2 1 376.504 3.530 20 30 GHEDMP C[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC001348957535 1063442267 /nfs/dbraw/zinc/44/22/67/1063442267.db2.gz ISUNAYCTWSCIGN-RXVVDRJESA-N 2 1 376.504 3.530 20 30 GHEDMP COc1cc(C#N)ccc1OCC[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001459665896 1064160079 /nfs/dbraw/zinc/16/00/79/1064160079.db2.gz DHZCDXKCXSHYOE-LJQANCHMSA-N 2 1 385.552 3.922 20 30 GHEDMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000430179067 834801169 /nfs/dbraw/zinc/80/11/69/834801169.db2.gz NJIORGBZTVCFGM-OAQYLSRUSA-N 2 1 378.520 3.565 20 30 GHEDMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000430179067 834801179 /nfs/dbraw/zinc/80/11/79/834801179.db2.gz NJIORGBZTVCFGM-OAQYLSRUSA-N 2 1 378.520 3.565 20 30 GHEDMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000430179067 834801188 /nfs/dbraw/zinc/80/11/88/834801188.db2.gz NJIORGBZTVCFGM-OAQYLSRUSA-N 2 1 378.520 3.565 20 30 GHEDMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000430179067 834801195 /nfs/dbraw/zinc/80/11/95/834801195.db2.gz NJIORGBZTVCFGM-OAQYLSRUSA-N 2 1 378.520 3.565 20 30 GHEDMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC1CCC(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000328696715 838688670 /nfs/dbraw/zinc/68/86/70/838688670.db2.gz UJGKKTQKDGIHAF-ZNXRSXASSA-N 2 1 392.588 3.956 20 30 GHEDMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000599661276 861492230 /nfs/dbraw/zinc/49/22/30/861492230.db2.gz SIXLPVBDRBPCHN-INIZCTEOSA-N 2 1 382.508 3.679 20 30 GHEDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000599661276 861492240 /nfs/dbraw/zinc/49/22/40/861492240.db2.gz SIXLPVBDRBPCHN-INIZCTEOSA-N 2 1 382.508 3.679 20 30 GHEDMP N#Cc1ccc(OCC[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000433122470 845363672 /nfs/dbraw/zinc/36/36/72/845363672.db2.gz QQAGOMROTNLJBQ-UHFFFAOYSA-N 2 1 375.516 3.925 20 30 GHEDMP C=CCn1c(C)cc(C(=O)C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000501076414 846619017 /nfs/dbraw/zinc/61/90/17/846619017.db2.gz GQFOFJSFJRSWID-UHFFFAOYSA-N 2 1 380.536 3.717 20 30 GHEDMP COc1cc2c(cc1F)[nH+]ccc2N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000479941904 847966785 /nfs/dbraw/zinc/96/67/85/847966785.db2.gz RHCMYARASCZFPR-UHFFFAOYSA-N 2 1 390.462 3.966 20 30 GHEDMP C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491057347 853429915 /nfs/dbraw/zinc/42/99/15/853429915.db2.gz LGAMCPFEGMLBBM-GGAORHGYSA-N 2 1 386.580 3.743 20 30 GHEDMP C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491057347 853429918 /nfs/dbraw/zinc/42/99/18/853429918.db2.gz LGAMCPFEGMLBBM-GGAORHGYSA-N 2 1 386.580 3.743 20 30 GHEDMP C=C(C)C[NH+]1CCC(NC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)CC1 ZINC000106260493 855203113 /nfs/dbraw/zinc/20/31/13/855203113.db2.gz LFOAYCOWYGATPY-HXUWFJFHSA-N 2 1 398.595 3.901 20 30 GHEDMP C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000057843849 855739467 /nfs/dbraw/zinc/73/94/67/855739467.db2.gz FCAGHOMXJHZHLW-IBGZPJMESA-N 2 1 390.531 3.729 20 30 GHEDMP C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000057843849 855739468 /nfs/dbraw/zinc/73/94/68/855739468.db2.gz FCAGHOMXJHZHLW-IBGZPJMESA-N 2 1 390.531 3.729 20 30 GHEDMP COc1cc(C[NH+]2CCC[C@H](CC#N)C2)cc(C[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595623299 858620955 /nfs/dbraw/zinc/62/09/55/858620955.db2.gz LZXYMVAREIZYIO-WOJBJXKFSA-N 2 1 380.536 3.947 20 30 GHEDMP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC#Cc3cccc(Cl)c3)C2)ccn1 ZINC000856586506 881559661 /nfs/dbraw/zinc/55/96/61/881559661.db2.gz RYAKASKEOJBRBO-JOCHJYFZSA-N 2 1 383.923 3.692 20 30 GHEDMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC#Cc3cccc(Cl)c3)C2)ccn1 ZINC000856586506 881559679 /nfs/dbraw/zinc/55/96/79/881559679.db2.gz RYAKASKEOJBRBO-JOCHJYFZSA-N 2 1 383.923 3.692 20 30 GHEDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC#Cc3cccc(Cl)c3)C2)ccn1 ZINC000856586506 881559702 /nfs/dbraw/zinc/55/97/02/881559702.db2.gz RYAKASKEOJBRBO-JOCHJYFZSA-N 2 1 383.923 3.692 20 30 GHEDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C2)ccn1 ZINC000856586506 881559720 /nfs/dbraw/zinc/55/97/20/881559720.db2.gz RYAKASKEOJBRBO-JOCHJYFZSA-N 2 1 383.923 3.692 20 30 GHEDMP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC#Cc3ccc(F)cc3)C2)ccn1 ZINC000856603369 881577996 /nfs/dbraw/zinc/57/79/96/881577996.db2.gz IOXNUJMFSWXWAP-HSZRJFAPSA-N 2 1 381.495 3.566 20 30 GHEDMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC#Cc3ccc(F)cc3)C2)ccn1 ZINC000856603369 881578003 /nfs/dbraw/zinc/57/80/03/881578003.db2.gz IOXNUJMFSWXWAP-HSZRJFAPSA-N 2 1 381.495 3.566 20 30 GHEDMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)ccn1 ZINC000856603369 881578013 /nfs/dbraw/zinc/57/80/13/881578013.db2.gz IOXNUJMFSWXWAP-HSZRJFAPSA-N 2 1 381.495 3.566 20 30 GHEDMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)ccn1 ZINC000856603369 881578025 /nfs/dbraw/zinc/57/80/25/881578025.db2.gz IOXNUJMFSWXWAP-HSZRJFAPSA-N 2 1 381.495 3.566 20 30 GHEDMP C[C@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186323578 864791230 /nfs/dbraw/zinc/79/12/30/864791230.db2.gz VOQQEIAPNAPOLB-CYFREDJKSA-N 2 1 376.548 3.804 20 30 GHEDMP C=CCOC(=O)N[C@@H]1CCC[N@@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168063370 864938184 /nfs/dbraw/zinc/93/81/84/864938184.db2.gz AMEBLKMIMOWATJ-IRFCIJBXSA-N 2 1 385.552 3.805 20 30 GHEDMP C=CCOC(=O)N[C@@H]1CCC[N@H+](C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168063370 864938195 /nfs/dbraw/zinc/93/81/95/864938195.db2.gz AMEBLKMIMOWATJ-IRFCIJBXSA-N 2 1 385.552 3.805 20 30 GHEDMP COc1cc(C#N)ccc1OCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000554842495 864999524 /nfs/dbraw/zinc/99/95/24/864999524.db2.gz XGLFVSYJAOZXLT-QHCPKHFHSA-N 2 1 393.531 3.836 20 30 GHEDMP COc1cc(C#N)ccc1OCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000554842495 864999533 /nfs/dbraw/zinc/99/95/33/864999533.db2.gz XGLFVSYJAOZXLT-QHCPKHFHSA-N 2 1 393.531 3.836 20 30 GHEDMP C=CC[NH+]1CCC(NC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000171709502 865338625 /nfs/dbraw/zinc/33/86/25/865338625.db2.gz QKNPAHGVFDPCNL-IBGZPJMESA-N 2 1 384.568 3.511 20 30 GHEDMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000532554353 886041076 /nfs/dbraw/zinc/04/10/76/886041076.db2.gz ITLKPMKFPZUXPR-DEOSSOPVSA-N 2 1 388.559 3.827 20 30 GHEDMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000532554353 886041091 /nfs/dbraw/zinc/04/10/91/886041091.db2.gz ITLKPMKFPZUXPR-DEOSSOPVSA-N 2 1 388.559 3.827 20 30 GHEDMP N#Cc1ccc([C@@H](O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000813370462 891554989 /nfs/dbraw/zinc/55/49/89/891554989.db2.gz HEMQXGJBPLRBHT-QHCPKHFHSA-N 2 1 375.516 3.580 20 30 GHEDMP COC(=O)c1cccc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c1C#N ZINC000533759631 892836324 /nfs/dbraw/zinc/83/63/24/892836324.db2.gz WMLMEPHKVXBMHW-GOSISDBHSA-N 2 1 383.536 3.821 20 30 GHEDMP COC(=O)c1cccc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1C#N ZINC000533759631 892836373 /nfs/dbraw/zinc/83/63/73/892836373.db2.gz WMLMEPHKVXBMHW-GOSISDBHSA-N 2 1 383.536 3.821 20 30 GHEDMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc(OCC#N)cc3)C[C@@H]21 ZINC001137119616 893573572 /nfs/dbraw/zinc/57/35/72/893573572.db2.gz ZOPDFVOMNOHBGW-NKKJXINNSA-N 2 1 390.531 3.716 20 30 GHEDMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH+](Cc3ccc(OCC#N)cc3)C[C@@H]21 ZINC001137119616 893573592 /nfs/dbraw/zinc/57/35/92/893573592.db2.gz ZOPDFVOMNOHBGW-NKKJXINNSA-N 2 1 390.531 3.716 20 30 GHEDMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@@H]21 ZINC001137119616 893573613 /nfs/dbraw/zinc/57/36/13/893573613.db2.gz ZOPDFVOMNOHBGW-NKKJXINNSA-N 2 1 390.531 3.716 20 30 GHEDMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@@H]21 ZINC001137119616 893573634 /nfs/dbraw/zinc/57/36/34/893573634.db2.gz ZOPDFVOMNOHBGW-NKKJXINNSA-N 2 1 390.531 3.716 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000459738563 894160411 /nfs/dbraw/zinc/16/04/11/894160411.db2.gz RXXNRIZWQWSENK-OAHLLOKOSA-N 2 1 397.357 3.844 20 30 GHEDMP N#CCCn1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(-c2ccccc2)n1 ZINC000093683424 901561875 /nfs/dbraw/zinc/56/18/75/901561875.db2.gz FVRDXQAADHPWAB-HXUWFJFHSA-N 2 1 377.536 3.772 20 30 GHEDMP N#CCCn1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(-c2ccccc2)n1 ZINC000093683424 901561884 /nfs/dbraw/zinc/56/18/84/901561884.db2.gz FVRDXQAADHPWAB-HXUWFJFHSA-N 2 1 377.536 3.772 20 30 GHEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)C1 ZINC001171628652 904852073 /nfs/dbraw/zinc/85/20/73/904852073.db2.gz FHFFGUDKXMXBQY-JOCHJYFZSA-N 2 1 377.573 3.748 20 30 GHEDMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172988688 906053782 /nfs/dbraw/zinc/05/37/82/906053782.db2.gz CNWUEXUXRVRCND-YRPNKDGESA-N 2 1 390.572 3.617 20 30 GHEDMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172988688 906053793 /nfs/dbraw/zinc/05/37/93/906053793.db2.gz CNWUEXUXRVRCND-YRPNKDGESA-N 2 1 390.572 3.617 20 30 GHEDMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172988688 906053799 /nfs/dbraw/zinc/05/37/99/906053799.db2.gz CNWUEXUXRVRCND-YRPNKDGESA-N 2 1 390.572 3.617 20 30 GHEDMP C=CCOC1CCC([NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)CC1 ZINC001173324926 906372019 /nfs/dbraw/zinc/37/20/19/906372019.db2.gz WGNWMFNENAIKTM-KOENEWCDSA-N 2 1 399.579 3.651 20 30 GHEDMP C[C@@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000303895163 915300756 /nfs/dbraw/zinc/30/07/56/915300756.db2.gz TUGFNXLXQUEZIK-AWEZNQCLSA-N 2 1 392.425 3.759 20 30 GHEDMP C[C@@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)[N@H+]1CCc2ccccc2C1 ZINC000303895163 915300777 /nfs/dbraw/zinc/30/07/77/915300777.db2.gz TUGFNXLXQUEZIK-AWEZNQCLSA-N 2 1 392.425 3.759 20 30 GHEDMP C[N@@H+](CCCNC(=[NH2+])Nc1ccccc1OC(F)(F)F)Cc1ccccc1 ZINC000305245937 916029902 /nfs/dbraw/zinc/02/99/02/916029902.db2.gz SVXQEQWCLBLXSJ-UHFFFAOYSA-N 2 1 380.414 3.834 20 30 GHEDMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000411633686 926581641 /nfs/dbraw/zinc/58/16/41/926581641.db2.gz SWUNBBWVAYDRFM-UHFFFAOYSA-N 2 1 387.915 3.711 20 30 GHEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000411633686 926581646 /nfs/dbraw/zinc/58/16/46/926581646.db2.gz SWUNBBWVAYDRFM-UHFFFAOYSA-N 2 1 387.915 3.711 20 30 GHEDMP N#CC1(CCCC[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CCC1 ZINC000930453767 934053387 /nfs/dbraw/zinc/05/33/87/934053387.db2.gz BFHZFXRYPFAGDF-HSZRJFAPSA-N 2 1 380.580 3.743 20 30 GHEDMP C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000924695043 1017004628 /nfs/dbraw/zinc/00/46/28/1017004628.db2.gz IDNWNKLOEDZGPS-CEXWTWQISA-N 2 1 390.572 3.522 20 30 GHEDMP N#Cc1cc(Cl)cnc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001155363848 1032519812 /nfs/dbraw/zinc/51/98/12/1032519812.db2.gz NKELWEUHFOMVOJ-LJQANCHMSA-N 2 1 395.938 3.520 20 30 GHEDMP COc1ccc(OC)c(NC(=[NH2+])NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)c1 ZINC000303911283 1021147800 /nfs/dbraw/zinc/14/78/00/1021147800.db2.gz ZLPVVFXXGJJHLP-KRWDZBQOSA-N 2 1 396.535 3.863 20 30 GHEDMP C=CC[N@@H+]1CCc2c(Cl)c(OC3C[NH2+]C3)c(O)cc2[C@@H](c2ccccc2)C1 ZINC001218052301 1030742076 /nfs/dbraw/zinc/74/20/76/1030742076.db2.gz GNSPBQGXWPRYER-LJQANCHMSA-N 2 1 384.907 3.572 20 30 GHEDMP C=CCN1C(=O)CC[C@@]12CCC[N@@H+](C[C@@H]1CCC[NH+](Cc3ccccc3)C1)CC2 ZINC001208934171 1035098406 /nfs/dbraw/zinc/09/84/06/1035098406.db2.gz HWTQNLBPBFOUER-UKILVPOCSA-N 2 1 395.591 3.932 20 30 GHEDMP C=CCN1C(=O)CC[C@@]12CCC[NH+](C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208934171 1035098418 /nfs/dbraw/zinc/09/84/18/1035098418.db2.gz HWTQNLBPBFOUER-UKILVPOCSA-N 2 1 395.591 3.932 20 30 GHEDMP C=CCN1C(=O)CC[C@@]12CCC[NH+](C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208934171 1035098425 /nfs/dbraw/zinc/09/84/25/1035098425.db2.gz HWTQNLBPBFOUER-UKILVPOCSA-N 2 1 395.591 3.932 20 30 GHEDMP C=CCOC(=O)N1CC2(C1)CC[NH+](C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208934270 1035099705 /nfs/dbraw/zinc/09/97/05/1035099705.db2.gz XZACGACVJKUHQM-QFIPXVFZSA-N 2 1 397.563 3.619 20 30 GHEDMP COC(=O)c1ccc(C(=[NH2+])N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001246303703 1037287026 /nfs/dbraw/zinc/28/70/26/1037287026.db2.gz ICBCTTDQKTVKEB-DKUWSORSSA-N 2 1 391.515 3.764 20 30 GHEDMP C=CCOC(=O)N1CCC2(CCC[N@H+]([C@H]3CC[NH2+][C@H](C(C)(C)C)C3)C2)CC1 ZINC001246523298 1037454137 /nfs/dbraw/zinc/45/41/37/1037454137.db2.gz AIMSSGXBOJWSCB-OALUTQOASA-N 2 1 377.573 3.654 20 30 GHEDMP C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@H]1CC[NH2+][C@H](CCCC)C1)CC2 ZINC001246525799 1037457580 /nfs/dbraw/zinc/45/75/80/1037457580.db2.gz LHQPCKKCKMTCSE-UXHICEINSA-N 2 1 377.573 3.798 20 30 GHEDMP COc1ccccc1C[N@@H+](Cc1ccc(C#N)c(OC)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236713892 1041849969 /nfs/dbraw/zinc/84/99/69/1041849969.db2.gz ICUMISYBBHZZLZ-MEMLXQNLSA-N 2 1 379.504 3.848 20 30 GHEDMP C=CCOC(=O)N1CCC(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256535309 1043476698 /nfs/dbraw/zinc/47/66/98/1043476698.db2.gz FAACQWLAPAQWCI-KNQAVFIVSA-N 2 1 385.552 3.664 20 30 GHEDMP C=CCOC(=O)N1CCC(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256535309 1043476724 /nfs/dbraw/zinc/47/67/24/1043476724.db2.gz FAACQWLAPAQWCI-KNQAVFIVSA-N 2 1 385.552 3.664 20 30 GHEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[NH+]([C@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256552004 1043515808 /nfs/dbraw/zinc/51/58/08/1043515808.db2.gz WTKIGOBMLMFCGC-TWDDROGUSA-N 2 1 384.564 3.866 20 30 GHEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[NH+]([C@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256552004 1043515827 /nfs/dbraw/zinc/51/58/27/1043515827.db2.gz WTKIGOBMLMFCGC-TWDDROGUSA-N 2 1 384.564 3.866 20 30 GHEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H]1CC[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256552004 1043515839 /nfs/dbraw/zinc/51/58/39/1043515839.db2.gz WTKIGOBMLMFCGC-TWDDROGUSA-N 2 1 384.564 3.866 20 30 GHEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@H]1CC[NH+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256552004 1043515851 /nfs/dbraw/zinc/51/58/51/1043515851.db2.gz WTKIGOBMLMFCGC-TWDDROGUSA-N 2 1 384.564 3.866 20 30 GHEDMP CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])[C@@H]([NH2+]C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257015880 1043801624 /nfs/dbraw/zinc/80/16/24/1043801624.db2.gz QSEZLMFPRKJFIY-VFUGHAIPSA-N 2 1 398.551 3.511 20 30 GHEDMP C=CCN1C(=O)CC[C@@]12CCC[N@@H+](C1CC[NH+](CCc3ccccc3)CC1)CC2 ZINC001258144120 1044431056 /nfs/dbraw/zinc/43/10/56/1044431056.db2.gz RZJPVEQDRHCWKR-RUZDIDTESA-N 2 1 395.591 3.727 20 30 GHEDMP C=CCN1C(=O)CC[C@@]12CCC[N@H+](C1CC[NH+](CCc3ccccc3)CC1)CC2 ZINC001258144120 1044431066 /nfs/dbraw/zinc/43/10/66/1044431066.db2.gz RZJPVEQDRHCWKR-RUZDIDTESA-N 2 1 395.591 3.727 20 30 GHEDMP N#Cc1c(N)sc(C[NH+]2CCC3(CC[N@@H+](Cc4ccc[nH]4)C3)CC2)c1Cl ZINC001279370106 1047783497 /nfs/dbraw/zinc/78/34/97/1047783497.db2.gz GCQGOMAILGMBED-UHFFFAOYSA-N 2 1 389.956 3.672 20 30 GHEDMP C#Cc1ccc(NC(=O)CC[N@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001307509903 1049350129 /nfs/dbraw/zinc/35/01/29/1049350129.db2.gz MUQFSOTYPZIYQB-GBXCKJPGSA-N 2 1 389.543 3.981 20 30 GHEDMP C#Cc1ccc(NC(=O)CC[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001307509903 1049350140 /nfs/dbraw/zinc/35/01/40/1049350140.db2.gz MUQFSOTYPZIYQB-GBXCKJPGSA-N 2 1 389.543 3.981 20 30 GHEDMP C#Cc1ccc(NC(=O)CC[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001307509903 1049350154 /nfs/dbraw/zinc/35/01/54/1049350154.db2.gz MUQFSOTYPZIYQB-GBXCKJPGSA-N 2 1 389.543 3.981 20 30 GHEDMP C#Cc1ccc(NC(=O)CC[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001307509903 1049350164 /nfs/dbraw/zinc/35/01/64/1049350164.db2.gz MUQFSOTYPZIYQB-GBXCKJPGSA-N 2 1 389.543 3.981 20 30 GHEDMP C#Cc1ccc(NC(=O)CC[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001307509903 1049350177 /nfs/dbraw/zinc/35/01/77/1049350177.db2.gz MUQFSOTYPZIYQB-GBXCKJPGSA-N 2 1 389.543 3.981 20 30 GHEDMP Cc1ccc(N(CCC#N)C(=O)C[N@H+](C)CCCC[NH+]2CCCCC2)cc1C ZINC001308038892 1049787687 /nfs/dbraw/zinc/78/76/87/1049787687.db2.gz NEUKHPGBAVYSRK-UHFFFAOYSA-N 2 1 384.568 3.748 20 30 GHEDMP Cc1ccc(N(CCC#N)C(=O)C[N@@H+](C)CCCC[NH+]2CCCCC2)cc1C ZINC001308038892 1049787694 /nfs/dbraw/zinc/78/76/94/1049787694.db2.gz NEUKHPGBAVYSRK-UHFFFAOYSA-N 2 1 384.568 3.748 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+][C@H](C[NH3+])C2CCCC2)cc1OC ZINC000415034135 839095967 /nfs/dbraw/zinc/09/59/67/839095967.db2.gz CGAYRFOUXPWCOA-MRXNPFEDSA-N 2 1 383.330 3.630 20 30 GHEDMP CN(c1ccccc1C[N@H+]1CCc2c(CC#N)cccc2C1)C1CC[NH+](C)CC1 ZINC000600213102 861256004 /nfs/dbraw/zinc/25/60/04/861256004.db2.gz QHFNGLYCLBZWAJ-UHFFFAOYSA-N 2 1 388.559 3.841 20 30 GHEDMP N#Cc1csc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000590192630 855315604 /nfs/dbraw/zinc/31/56/04/855315604.db2.gz HYDOTXFYMVCIPL-FQEVSTJZSA-N 2 1 381.545 3.638 20 30 GHEDMP N#CCCN(C(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)c1ccccc1 ZINC000045807141 856028569 /nfs/dbraw/zinc/02/85/69/856028569.db2.gz XZYNTJWWKXMINP-UHFFFAOYSA-N 2 1 382.552 3.521 20 30 GHEDMP CC[N@@H+](CCC1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1)CC(C)C ZINC000552647734 860558250 /nfs/dbraw/zinc/55/82/50/860558250.db2.gz AUGTVTAZMFQZBC-UHFFFAOYSA-N 2 1 384.568 3.967 20 30 GHEDMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC(C)(C)C[C@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000329033096 860963664 /nfs/dbraw/zinc/96/36/64/860963664.db2.gz QGJJSGXVBNHWTF-QSNWEANLSA-N 2 1 392.588 3.673 20 30 GHEDMP N#CCC[C@H](C#N)C[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000554552348 864517757 /nfs/dbraw/zinc/51/77/57/864517757.db2.gz UJOKRVMRIBTXLG-OAQYLSRUSA-N 2 1 387.531 3.542 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc1OC ZINC000067507256 866090765 /nfs/dbraw/zinc/09/07/65/866090765.db2.gz SNSNMRFSFRPXTM-HNNXBMFYSA-N 2 1 397.357 3.842 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1OC ZINC000067507256 866090780 /nfs/dbraw/zinc/09/07/80/866090780.db2.gz SNSNMRFSFRPXTM-HNNXBMFYSA-N 2 1 397.357 3.842 20 30 GHEDMP N#Cc1ccc(C[NH+]2CCC(NC[C@@H]3CCC[N@H+]3C3CCCCC3)CC2)cc1 ZINC000463248390 871264187 /nfs/dbraw/zinc/26/41/87/871264187.db2.gz OXNOEVSSBPQGBO-DEOSSOPVSA-N 2 1 380.580 3.909 20 30 GHEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(-c2ccccc2C#N)cc1 ZINC000441265635 871655618 /nfs/dbraw/zinc/65/56/18/871655618.db2.gz MGYWFCJPHWYEBZ-NHTMILBNSA-N 2 1 375.516 3.909 20 30 GHEDMP C=C(C)COc1cc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)ccc1OC ZINC000136565903 877258780 /nfs/dbraw/zinc/25/87/80/877258780.db2.gz PWGTXAPQFPIQJE-LEWJYISDSA-N 2 1 388.552 3.508 20 30 GHEDMP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859211816 883664324 /nfs/dbraw/zinc/66/43/24/883664324.db2.gz GFDNHFPPFDZMLU-GOSISDBHSA-N 2 1 385.577 3.845 20 30 GHEDMP N#CCOc1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cc1 ZINC001137124176 893717736 /nfs/dbraw/zinc/71/77/36/893717736.db2.gz SNZGAOBHYGBPRR-GOTSBHOMSA-N 2 1 375.516 3.933 20 30 GHEDMP N#CCOc1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cc1 ZINC001137124176 893717741 /nfs/dbraw/zinc/71/77/41/893717741.db2.gz SNZGAOBHYGBPRR-GOTSBHOMSA-N 2 1 375.516 3.933 20 30 GHEDMP N#CCOc1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)cc1 ZINC001137124176 893717749 /nfs/dbraw/zinc/71/77/49/893717749.db2.gz SNZGAOBHYGBPRR-GOTSBHOMSA-N 2 1 375.516 3.933 20 30 GHEDMP C[C@@H]1C[C@H](NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171734604 905018015 /nfs/dbraw/zinc/01/80/15/905018015.db2.gz OVGVFDJMDAVSBS-QPPBQGQZSA-N 2 1 388.559 3.797 20 30 GHEDMP CC(=O)n1ccc2cc(C[C@@H](C)[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)cc(C#N)c21 ZINC001172118633 905376063 /nfs/dbraw/zinc/37/60/63/905376063.db2.gz SQQSDUKBWDXLQM-FJGOKHBRSA-N 2 1 378.520 3.709 20 30 GHEDMP CC(=O)n1ccc2cc(C[C@@H](C)[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)cc(C#N)c21 ZINC001172118633 905376079 /nfs/dbraw/zinc/37/60/79/905376079.db2.gz SQQSDUKBWDXLQM-FJGOKHBRSA-N 2 1 378.520 3.709 20 30 GHEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001172303395 905456508 /nfs/dbraw/zinc/45/65/08/905456508.db2.gz CNPKCGWUUCMQDE-UGKGYDQZSA-N 2 1 393.531 3.838 20 30 GHEDMP C[C@H](CCCC#N)[NH+]1CCC([NH+]2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC001172509958 905603460 /nfs/dbraw/zinc/60/34/60/905603460.db2.gz SZVLTQAVDXTMKK-QGZVFWFLSA-N 2 1 378.561 3.522 20 30 GHEDMP N#CCC1CCC([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)CC1 ZINC001173333519 906378099 /nfs/dbraw/zinc/37/80/99/906378099.db2.gz OTTMVIMJBUBYAO-MSVHFWJSSA-N 2 1 381.568 3.530 20 30 GHEDMP N#CCC1CCC([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)CC1 ZINC001173333519 906378114 /nfs/dbraw/zinc/37/81/14/906378114.db2.gz OTTMVIMJBUBYAO-MSVHFWJSSA-N 2 1 381.568 3.530 20 30 GHEDMP N#CCC1CCC([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)CC1 ZINC001173333519 906378131 /nfs/dbraw/zinc/37/81/31/906378131.db2.gz OTTMVIMJBUBYAO-MSVHFWJSSA-N 2 1 381.568 3.530 20 30 GHEDMP N#CCC1CCC([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)CC1 ZINC001173333519 906378145 /nfs/dbraw/zinc/37/81/45/906378145.db2.gz OTTMVIMJBUBYAO-MSVHFWJSSA-N 2 1 381.568 3.530 20 30 GHEDMP C=C(C)COc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)ccc1OC ZINC000180996954 906892498 /nfs/dbraw/zinc/89/24/98/906892498.db2.gz HPOKZQYSBWXIAY-QFIPXVFZSA-N 2 1 396.531 3.507 20 30 GHEDMP COc1ccc(NC(=[NH2+])NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1Cl ZINC000303866078 915223704 /nfs/dbraw/zinc/22/37/04/915223704.db2.gz CFZLFXIFHMFUNB-QGZVFWFLSA-N 2 1 386.927 3.640 20 30 GHEDMP [NH2+]=C(NCCC[N@H+]1CCc2ccccc2C1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303874946 915234148 /nfs/dbraw/zinc/23/41/48/915234148.db2.gz DIOHHBSZBQVFOR-UHFFFAOYSA-N 2 1 392.425 3.760 20 30 GHEDMP C[C@H]1C[N@H+](Cc2cccc(CNC(=[NH2+])Nc3cccc4c3CCCC4)c2)CCO1 ZINC000304635391 915564282 /nfs/dbraw/zinc/56/42/82/915564282.db2.gz AUITZROJYNVYEA-SFHVURJKSA-N 2 1 392.547 3.713 20 30 GHEDMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=[NH2+])Nc3cccc4c3CCCC4)c2)CCO1 ZINC000304635391 915564288 /nfs/dbraw/zinc/56/42/88/915564288.db2.gz AUITZROJYNVYEA-SFHVURJKSA-N 2 1 392.547 3.713 20 30 GHEDMP C[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411512688 926469716 /nfs/dbraw/zinc/46/97/16/926469716.db2.gz BNQNGKXZHADUIA-NVXWUHKLSA-N 2 1 388.943 3.783 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH+]2CCC(CC[NH2+]C)CC2)cc1OC ZINC000469849760 930204303 /nfs/dbraw/zinc/20/43/03/930204303.db2.gz BWHQXRMJIWNRDW-UHFFFAOYSA-N 2 1 397.357 3.844 20 30 GHEDMP COc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c(C#N)c1 ZINC001137706917 935736818 /nfs/dbraw/zinc/73/68/18/935736818.db2.gz WKIGGQLJPCNWIP-YADHBBJMSA-N 2 1 375.516 3.911 20 30 GHEDMP C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000926754845 1017310558 /nfs/dbraw/zinc/31/05/58/1017310558.db2.gz SGZYRXXLAOUTMA-RTBURBONSA-N 2 1 392.588 3.627 20 30 GHEDMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1ccccc1C#N)CC2 ZINC001204371007 1032813585 /nfs/dbraw/zinc/81/35/85/1032813585.db2.gz QRXOYFCAWYQEPX-HSZRJFAPSA-N 2 1 375.516 3.814 20 30 GHEDMP N#Cc1ccc(F)c(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1 ZINC001162933252 1025971010 /nfs/dbraw/zinc/97/10/10/1025971010.db2.gz BTNXLBQCMKVGFO-FQEVSTJZSA-N 2 1 378.495 3.611 20 30 GHEDMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1cc(F)cc(C#N)c1)CC2 ZINC001139876493 1026692177 /nfs/dbraw/zinc/69/21/77/1026692177.db2.gz ALPMYXBKFASUMO-UHFFFAOYSA-N 2 1 378.495 3.969 20 30 GHEDMP CN(CCC#N)c1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001231817720 1034927340 /nfs/dbraw/zinc/92/73/40/1034927340.db2.gz NERYNCLKAQRCKY-BGYRXZFFSA-N 2 1 380.561 3.662 20 30 GHEDMP CN(CCC#N)c1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001231817720 1034927343 /nfs/dbraw/zinc/92/73/43/1034927343.db2.gz NERYNCLKAQRCKY-BGYRXZFFSA-N 2 1 380.561 3.662 20 30 GHEDMP CN(CCC#N)c1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001231817720 1034927349 /nfs/dbraw/zinc/92/73/49/1034927349.db2.gz NERYNCLKAQRCKY-BGYRXZFFSA-N 2 1 380.561 3.662 20 30 GHEDMP CN(CCC#N)c1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001231817720 1034927355 /nfs/dbraw/zinc/92/73/55/1034927355.db2.gz NERYNCLKAQRCKY-BGYRXZFFSA-N 2 1 380.561 3.662 20 30 GHEDMP N#Cc1cccc(CCC[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c1 ZINC001208852964 1035058971 /nfs/dbraw/zinc/05/89/71/1035058971.db2.gz YBOVHCXYQFASJT-UHFFFAOYSA-N 2 1 389.543 3.858 20 30 GHEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](C[C@@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208935794 1035102000 /nfs/dbraw/zinc/10/20/00/1035102000.db2.gz LQZPGPZRIKEDPD-TZRRMPRUSA-N 2 1 384.564 3.725 20 30 GHEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[NH+](C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001208935794 1035102006 /nfs/dbraw/zinc/10/20/06/1035102006.db2.gz LQZPGPZRIKEDPD-TZRRMPRUSA-N 2 1 384.564 3.725 20 30 GHEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[NH+](C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208935794 1035102010 /nfs/dbraw/zinc/10/20/10/1035102010.db2.gz LQZPGPZRIKEDPD-TZRRMPRUSA-N 2 1 384.564 3.725 20 30 GHEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](C[C@@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208936617 1035103845 /nfs/dbraw/zinc/10/38/45/1035103845.db2.gz ODCBWZBJDNKLSO-DSNGMDLFSA-N 2 1 398.591 3.972 20 30 GHEDMP C=CCOC[C@]12CCCO[C@H]1CC[NH+](C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001208936617 1035103848 /nfs/dbraw/zinc/10/38/48/1035103848.db2.gz ODCBWZBJDNKLSO-DSNGMDLFSA-N 2 1 398.591 3.972 20 30 GHEDMP C=CCOC[C@]12CCCO[C@H]1CC[NH+](C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208936617 1035103852 /nfs/dbraw/zinc/10/38/52/1035103852.db2.gz ODCBWZBJDNKLSO-DSNGMDLFSA-N 2 1 398.591 3.972 20 30 GHEDMP C=CCN1C(=O)CCC[C@]12CCC[N@@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208942403 1035112044 /nfs/dbraw/zinc/11/20/44/1035112044.db2.gz QCHSPKKUTJKEOD-ISKFKSNPSA-N 2 1 381.564 3.542 20 30 GHEDMP C=CCN1C(=O)CCC[C@]12CCC[NH+](C[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208942403 1035112048 /nfs/dbraw/zinc/11/20/48/1035112048.db2.gz QCHSPKKUTJKEOD-ISKFKSNPSA-N 2 1 381.564 3.542 20 30 GHEDMP C=CCN1C(=O)CCC[C@]12CCC[NH+](C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208942403 1035112052 /nfs/dbraw/zinc/11/20/52/1035112052.db2.gz QCHSPKKUTJKEOD-ISKFKSNPSA-N 2 1 381.564 3.542 20 30 GHEDMP C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@@H]1CC[NH2+][C@@H](c3ccccc3)C1)CC2 ZINC001246527188 1037460901 /nfs/dbraw/zinc/46/09/01/1037460901.db2.gz SQEKXBAQRPWCSX-FGZHOGPDSA-N 2 1 397.563 3.980 20 30 GHEDMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+]([C@H](C)Cc1ccc(C#N)cc1)CC2 ZINC001246630928 1037519670 /nfs/dbraw/zinc/51/96/70/1037519670.db2.gz MDFKVGVDMOCUAR-GOSISDBHSA-N 2 1 375.516 3.635 20 30 GHEDMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([NH+]2CCN(c3ccc(C#N)cc3)CC2)CCN1 ZINC001246785448 1037625225 /nfs/dbraw/zinc/62/52/25/1037625225.db2.gz BCOPWBPQIFFMAU-GMAHTHKFSA-N 2 1 378.495 3.621 20 30 GHEDMP CCCCCCCCCC[C@@H](O)C[NH+]1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001252983665 1039311159 /nfs/dbraw/zinc/31/11/59/1039311159.db2.gz YHDXUVLOAOFCIV-JOCHJYFZSA-N 2 1 395.632 3.540 20 30 GHEDMP C=CCCCCCC[C@@H](O)C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC001253236369 1039491403 /nfs/dbraw/zinc/49/14/03/1039491403.db2.gz SOWHITOXZJTWNU-IFMALSPDSA-N 2 1 394.600 3.613 20 30 GHEDMP C=CCCCCCC[C@@H](O)C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC001253236369 1039491411 /nfs/dbraw/zinc/49/14/11/1039491411.db2.gz SOWHITOXZJTWNU-IFMALSPDSA-N 2 1 394.600 3.613 20 30 GHEDMP N#CC1(c2ccc(F)cc2)CCC([NH+]2CCC([NH3+])(c3cccnc3)CC2)CC1 ZINC001254351162 1040185182 /nfs/dbraw/zinc/18/51/82/1040185182.db2.gz SPNGSEVOGSAVPO-UHFFFAOYSA-N 2 1 378.495 3.875 20 30 GHEDMP CN(c1ccc(C#N)cc1)c1ccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)cc1 ZINC001235401082 1040914289 /nfs/dbraw/zinc/91/42/89/1040914289.db2.gz FMYFTKQNYQHIOP-DHIUTWEWSA-N 2 1 378.495 3.850 20 30 GHEDMP N#Cc1ccc(Oc2ccc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cn2)cc1 ZINC001235426412 1040928036 /nfs/dbraw/zinc/92/80/36/1040928036.db2.gz KUERMKCCFIFJNM-SFTDATJTSA-N 2 1 376.504 3.957 20 30 GHEDMP C=CCOc1cccc(C[N@@H+]2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)c1 ZINC001235646281 1041088061 /nfs/dbraw/zinc/08/80/61/1041088061.db2.gz KCGYXBYMOXTYGH-UHFFFAOYSA-N 2 1 380.536 3.886 20 30 GHEDMP C=CCOc1cccc(C[N@H+]2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)c1 ZINC001235646281 1041088082 /nfs/dbraw/zinc/08/80/82/1041088082.db2.gz KCGYXBYMOXTYGH-UHFFFAOYSA-N 2 1 380.536 3.886 20 30 GHEDMP N#CCC[N@@H+](Cc1cc(Br)ccc1N1CC[NH2+]CC1)C1CCCC1 ZINC001235663819 1041116067 /nfs/dbraw/zinc/11/60/67/1041116067.db2.gz LLDKTDUSMQANFY-UHFFFAOYSA-N 2 1 391.357 3.517 20 30 GHEDMP N#CCC[N@H+](Cc1cc(Br)ccc1N1CC[NH2+]CC1)C1CCCC1 ZINC001235663819 1041116095 /nfs/dbraw/zinc/11/60/95/1041116095.db2.gz LLDKTDUSMQANFY-UHFFFAOYSA-N 2 1 391.357 3.517 20 30 GHEDMP Cc1nc(C2CC[NH2+]CC2)sc1C[N@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001235970020 1041475554 /nfs/dbraw/zinc/47/55/54/1041475554.db2.gz XMTJWGZFTLDBOM-FQEVSTJZSA-N 2 1 396.560 3.834 20 30 GHEDMP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC001236314821 1041669103 /nfs/dbraw/zinc/66/91/03/1041669103.db2.gz OCSCXCSIBQNUDX-JTSKRJEESA-N 2 1 394.469 3.923 20 30 GHEDMP CN(C)c1ccc(C[N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)c(F)c1C#N ZINC001236384775 1041692557 /nfs/dbraw/zinc/69/25/57/1041692557.db2.gz CBUBKUYJZJZFBZ-UHFFFAOYSA-N 2 1 398.501 3.904 20 30 GHEDMP CCOCC[N@H+](Cc1ccc(Oc2ccc(C#N)cc2)cc1)C1CC[NH2+]CC1 ZINC001236462240 1041724378 /nfs/dbraw/zinc/72/43/78/1041724378.db2.gz UOQXACSIVZZNNN-UHFFFAOYSA-N 2 1 379.504 3.941 20 30 GHEDMP CCOCC[N@@H+](Cc1ccc(Oc2ccc(C#N)cc2)cc1)C1CC[NH2+]CC1 ZINC001236462240 1041724383 /nfs/dbraw/zinc/72/43/83/1041724383.db2.gz UOQXACSIVZZNNN-UHFFFAOYSA-N 2 1 379.504 3.941 20 30 GHEDMP N#Cc1cc(-c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)cc(C2C[NH2+]C2)c1 ZINC001240337917 1042921983 /nfs/dbraw/zinc/92/19/83/1042921983.db2.gz WXMMGWMBCVDESI-UHFFFAOYSA-N 2 1 380.495 3.865 20 30 GHEDMP Cn1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4cc(Cl)cs4)C[C@H]3CC2)cc1C#N ZINC001279577207 1047846150 /nfs/dbraw/zinc/84/61/50/1047846150.db2.gz IUUXVNSDRQGHQQ-CALCHBBNSA-N 2 1 388.968 3.956 20 30 GHEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4cc(Cl)cs4)C[C@H]3CC2)cc1C#N ZINC001279577207 1047846163 /nfs/dbraw/zinc/84/61/63/1047846163.db2.gz IUUXVNSDRQGHQQ-CALCHBBNSA-N 2 1 388.968 3.956 20 30 GHEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4cc(Cl)cs4)C[C@H]3CC2)cc1C#N ZINC001279577207 1047846178 /nfs/dbraw/zinc/84/61/78/1047846178.db2.gz IUUXVNSDRQGHQQ-CALCHBBNSA-N 2 1 388.968 3.956 20 30 GHEDMP C[N@@H+]1CCC[C@H](C[NH2+]CCC(=O)Nc2cccc(C#N)c2)[C@@H]1c1cccs1 ZINC001329140964 1050732071 /nfs/dbraw/zinc/73/20/71/1050732071.db2.gz IRCYNUCAQCDNFZ-DYESRHJHSA-N 2 1 382.533 3.621 20 30 GHEDMP C[N@H+]1CCC[C@H](C[NH2+]CCC(=O)Nc2cccc(C#N)c2)[C@@H]1c1cccs1 ZINC001329140964 1050732082 /nfs/dbraw/zinc/73/20/82/1050732082.db2.gz IRCYNUCAQCDNFZ-DYESRHJHSA-N 2 1 382.533 3.621 20 30 GHEDMP COCCC[NH+]1CCC([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000066905721 842148747 /nfs/dbraw/zinc/14/87/47/842148747.db2.gz DUTUPWOLIHEVBH-UHFFFAOYSA-N 2 1 393.531 3.728 20 30 GHEDMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 ZINC000512265030 843264697 /nfs/dbraw/zinc/26/46/97/843264697.db2.gz XFSQFAXJOMFBAY-KQVJYAISSA-N 2 1 390.616 3.750 20 30 GHEDMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000277138330 844718228 /nfs/dbraw/zinc/71/82/28/844718228.db2.gz IYEGEELLDSNUML-UHFFFAOYSA-N 2 1 395.551 3.721 20 30 GHEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000277138330 844718242 /nfs/dbraw/zinc/71/82/42/844718242.db2.gz IYEGEELLDSNUML-UHFFFAOYSA-N 2 1 395.551 3.721 20 30 GHEDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C(=O)NC1(C#N)CCCCC1 ZINC000604044418 861704086 /nfs/dbraw/zinc/70/40/86/861704086.db2.gz MSTYDIRKHLFWKB-UXHICEINSA-N 2 1 396.579 3.739 20 30 GHEDMP N#Cc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000550263300 852188225 /nfs/dbraw/zinc/18/82/25/852188225.db2.gz XBWLGVZXQJGQTP-HSZRJFAPSA-N 2 1 375.516 3.577 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH+]2CCC(C[NH+](C)C)CC2)cc1OC ZINC000506929275 852354549 /nfs/dbraw/zinc/35/45/49/852354549.db2.gz TUERMFDVDBTTPH-UHFFFAOYSA-N 2 1 397.357 3.796 20 30 GHEDMP Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000330047588 862531648 /nfs/dbraw/zinc/53/16/48/862531648.db2.gz HUKVBUICGLLHMS-VQIMIIECSA-N 2 1 389.588 3.990 20 30 GHEDMP Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000330047588 862531658 /nfs/dbraw/zinc/53/16/58/862531658.db2.gz HUKVBUICGLLHMS-VQIMIIECSA-N 2 1 389.588 3.990 20 30 GHEDMP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000542885198 856652116 /nfs/dbraw/zinc/65/21/16/856652116.db2.gz UWDQZUXJLJACBG-FDDCHVKYSA-N 2 1 391.515 4.000 20 30 GHEDMP C[NH+](C)CCOc1cccc(C[NH2+]Cc2cc(C#N)ccc2Br)c1 ZINC000921548488 860408905 /nfs/dbraw/zinc/40/89/05/860408905.db2.gz WQRQXRRUJISBMA-UHFFFAOYSA-N 2 1 388.309 3.551 20 30 GHEDMP FC1(F)[C@H]2C[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000904428183 860428359 /nfs/dbraw/zinc/42/83/59/860428359.db2.gz GFSKXCNMBZCENT-CQGIUEJESA-N 2 1 392.334 3.620 20 30 GHEDMP CC(C)[N@@H+](C)Cc1nn(C2CCC(C#N)(c3ccccc3)CC2)c2c1CC[NH2+]C2 ZINC001170383499 881558959 /nfs/dbraw/zinc/55/89/59/881558959.db2.gz NYMJPZGMZPIRBK-UHFFFAOYSA-N 2 1 391.563 3.946 20 30 GHEDMP C#CCOc1ccccc1C[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000073803766 860884555 /nfs/dbraw/zinc/88/45/55/860884555.db2.gz LYQYSZHZOKSQGC-BGYRXZFFSA-N 2 1 378.516 3.598 20 30 GHEDMP Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1C ZINC000185665793 861157695 /nfs/dbraw/zinc/15/76/95/861157695.db2.gz KKPJSUVKQHHSOF-SFTDATJTSA-N 2 1 396.579 3.793 20 30 GHEDMP Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1C ZINC000185665793 861157703 /nfs/dbraw/zinc/15/77/03/861157703.db2.gz KKPJSUVKQHHSOF-SFTDATJTSA-N 2 1 396.579 3.793 20 30 GHEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCCCC2)cc1 ZINC000183139815 866267179 /nfs/dbraw/zinc/26/71/79/866267179.db2.gz PBXHRVYZKCGPRJ-IAGOWNOFSA-N 2 1 379.508 3.563 20 30 GHEDMP C[N@@H+](CCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)Cc1ccccc1 ZINC000181419244 870986371 /nfs/dbraw/zinc/98/63/71/870986371.db2.gz CJDMCPMDGKFPOP-UHFFFAOYSA-N 2 1 376.548 3.634 20 30 GHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000153030665 873122175 /nfs/dbraw/zinc/12/21/75/873122175.db2.gz RWWMQGWVVWVXIW-OAHLLOKOSA-N 2 1 394.357 3.796 20 30 GHEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CCC(CC[N@H+](CC)CC3CC3)CC2)CC1 ZINC000537805958 878357193 /nfs/dbraw/zinc/35/71/93/878357193.db2.gz RHVRFBGWBXCIQQ-UHFFFAOYSA-N 2 1 390.616 3.571 20 30 GHEDMP COc1ccc2c(c1)C[C@@H]([N@@H+](Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001168256079 886820433 /nfs/dbraw/zinc/82/04/33/886820433.db2.gz BMAAKGJMIOFXPA-VABKMULXSA-N 2 1 375.516 3.806 20 30 GHEDMP N#Cc1ccc([C@@H](O)C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000763413197 889240743 /nfs/dbraw/zinc/24/07/43/889240743.db2.gz HSKZPTFBYHPPGJ-ZEQRLZLVSA-N 2 1 375.516 3.580 20 30 GHEDMP N#Cc1ccc([C@@H](O)C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000763413197 889240759 /nfs/dbraw/zinc/24/07/59/889240759.db2.gz HSKZPTFBYHPPGJ-ZEQRLZLVSA-N 2 1 375.516 3.580 20 30 GHEDMP N#Cc1ccc([C@@H](O)C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000763413197 889240774 /nfs/dbraw/zinc/24/07/74/889240774.db2.gz HSKZPTFBYHPPGJ-ZEQRLZLVSA-N 2 1 375.516 3.580 20 30 GHEDMP N#Cc1ccc([C@@H](O)C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000763413197 889240787 /nfs/dbraw/zinc/24/07/87/889240787.db2.gz HSKZPTFBYHPPGJ-ZEQRLZLVSA-N 2 1 375.516 3.580 20 30 GHEDMP C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccn(-c3cc[nH+]c(CC#N)c3)c3nccc2-3)cc1 ZINC001170671365 890460593 /nfs/dbraw/zinc/46/05/93/890460593.db2.gz UHTIEOLLIKPMMS-OAHLLOKOSA-N 2 1 396.454 3.710 20 30 GHEDMP C=CCc1ccccc1OC[C@@H](O)C[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000567689376 897340068 /nfs/dbraw/zinc/34/00/68/897340068.db2.gz JCPVCAPDUGGHDF-RDPSFJRHSA-N 2 1 394.559 3.970 20 30 GHEDMP C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001171213096 902707551 /nfs/dbraw/zinc/70/75/51/902707551.db2.gz UIQDHZPRVUQCJI-SIKLNZKXSA-N 2 1 393.531 3.838 20 30 GHEDMP COCCC[NH+]1CCC([NH+]2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)CC1 ZINC001172253504 905448423 /nfs/dbraw/zinc/44/84/23/905448423.db2.gz RXRKJTPWYGEIKH-UHFFFAOYSA-N 2 1 391.943 3.556 20 30 GHEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001172305249 905459695 /nfs/dbraw/zinc/45/96/95/905459695.db2.gz REOXSALGCUIHSM-IBGZPJMESA-N 2 1 395.572 3.918 20 30 GHEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001172305249 905459705 /nfs/dbraw/zinc/45/97/05/905459705.db2.gz REOXSALGCUIHSM-IBGZPJMESA-N 2 1 395.572 3.918 20 30 GHEDMP CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)C[C@H]1C#N ZINC001172986551 906051196 /nfs/dbraw/zinc/05/11/96/906051196.db2.gz XKJWLOFTHORNRX-AQNXPRMDSA-N 2 1 390.572 3.618 20 30 GHEDMP CC(C)(C)OC(=O)N1CC[C@@H]([N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)C[C@H]1C#N ZINC001172986551 906051208 /nfs/dbraw/zinc/05/12/08/906051208.db2.gz XKJWLOFTHORNRX-AQNXPRMDSA-N 2 1 390.572 3.618 20 30 GHEDMP N#Cc1ccc(C[NH+]2CCC(NC3CC[NH+](CC4CCCC4)CC3)CC2)cc1 ZINC000181626176 907041065 /nfs/dbraw/zinc/04/10/65/907041065.db2.gz SYDYPZLTDYCXOY-UHFFFAOYSA-N 2 1 380.580 3.767 20 30 GHEDMP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c1=S ZINC000749975291 927379708 /nfs/dbraw/zinc/37/97/08/927379708.db2.gz HFCLFFNBGMRCQQ-KDURUIRLSA-N 2 1 389.613 3.708 20 30 GHEDMP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1=S ZINC000749975291 927379726 /nfs/dbraw/zinc/37/97/26/927379726.db2.gz HFCLFFNBGMRCQQ-KDURUIRLSA-N 2 1 389.613 3.708 20 30 GHEDMP [NH2+]=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1ccc(OC(F)(F)F)cc1 ZINC000195291126 1020970296 /nfs/dbraw/zinc/97/02/96/1020970296.db2.gz YGNSQMHUOGVYPV-MRXNPFEDSA-N 2 1 392.425 3.834 20 30 GHEDMP C#CC[C@]1(C(=O)Nc2cc3[nH+]c4cc(N(C)C)ccc4cc3cc2C)CCC[NH2+]1 ZINC001219211065 1031306262 /nfs/dbraw/zinc/30/62/62/1031306262.db2.gz UJRSMUSPZJHDBM-XMMPIXPASA-N 2 1 386.499 3.846 20 30 GHEDMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(F)c(C#N)c1)CC2 ZINC001205472915 1033429162 /nfs/dbraw/zinc/42/91/62/1033429162.db2.gz LIBXMZPHHIQXOP-QFIPXVFZSA-N 2 1 393.506 3.953 20 30 GHEDMP C=C(C[NH+]1CCCC1)c1nc(-c2ccc([C@H]3CCc4c[nH+]cn43)c(F)c2)no1 ZINC001206100848 1033720953 /nfs/dbraw/zinc/72/09/53/1033720953.db2.gz WIRGSQBJJRMPQY-LJQANCHMSA-N 2 1 379.439 3.717 20 30 GHEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+](CC1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001207291653 1034244190 /nfs/dbraw/zinc/24/41/90/1034244190.db2.gz VJYQNDOCAGBFRH-VWLOTQADSA-N 2 1 395.591 3.932 20 30 GHEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1[nH+]ccc2c1ccn2Cc1ccccc1 ZINC001159925200 1034789384 /nfs/dbraw/zinc/78/93/84/1034789384.db2.gz DEGSUOHERDSAAL-FQEVSTJZSA-N 2 1 392.503 3.723 20 30 GHEDMP C=CCCCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001160421639 1034968816 /nfs/dbraw/zinc/96/88/16/1034968816.db2.gz COEXUPZQBKEFDP-MALNDZBISA-N 2 1 398.595 3.604 20 30 GHEDMP CC(C)(C)OC(=O)c1ccc(C[NH+]2CCC(C[N@H+]3CC[C@H](C#N)C3)CC2)cc1 ZINC001208820003 1035039459 /nfs/dbraw/zinc/03/94/59/1035039459.db2.gz KAJVDDXCYNPNEC-HXUWFJFHSA-N 2 1 383.536 3.699 20 30 GHEDMP N#Cc1ccc(CC[N@@H+]2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)cc1 ZINC001208926400 1035091429 /nfs/dbraw/zinc/09/14/29/1035091429.db2.gz GVRPPMVIZNDLJY-JOCHJYFZSA-N 2 1 396.485 3.729 20 30 GHEDMP CCCCCCC[C@H](C)C(=O)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161197824 1035176972 /nfs/dbraw/zinc/17/69/72/1035176972.db2.gz FUGDUIVFYNXACB-NRFANRHFSA-N 2 1 395.632 3.534 20 30 GHEDMP C=CCN1CC[C@@]2(C[N@@H+](C3C[C@H](CC)[NH2+][C@@H](CC)C3)C[C@@H]2c2ccccc2)C1=O ZINC001246705177 1037558363 /nfs/dbraw/zinc/55/83/63/1037558363.db2.gz XLWAIFCRRKMATD-ISXFXILCSA-N 2 1 395.591 3.800 20 30 GHEDMP C=CCN1C(=O)CCC[C@]12CCC[N@@H+]([C@H]1CC[NH2+][C@@H](c3ccc(F)cc3C)C1)C2 ZINC001246709164 1037562304 /nfs/dbraw/zinc/56/23/04/1037562304.db2.gz SFMLZNHAEBHTON-BGWNEDDSSA-N 2 1 399.554 3.960 20 30 GHEDMP C=CCN1C(=O)CCC[C@]12CCC[N@H+]([C@H]1CC[NH2+][C@@H](c3ccc(F)cc3C)C1)C2 ZINC001246709164 1037562326 /nfs/dbraw/zinc/56/23/26/1037562326.db2.gz SFMLZNHAEBHTON-BGWNEDDSSA-N 2 1 399.554 3.960 20 30 GHEDMP CCCCCCCC[C@@H](O)C[N@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001252126874 1038873159 /nfs/dbraw/zinc/87/31/59/1038873159.db2.gz UMDGOOMCAZRUMX-DNVJHFABSA-N 2 1 380.617 3.778 20 30 GHEDMP CCCCCCCC[C@@H](O)C[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001252126874 1038873187 /nfs/dbraw/zinc/87/31/87/1038873187.db2.gz UMDGOOMCAZRUMX-DNVJHFABSA-N 2 1 380.617 3.778 20 30 GHEDMP CCCCCCCC[C@@H](O)C[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001252126874 1038873217 /nfs/dbraw/zinc/87/32/17/1038873217.db2.gz UMDGOOMCAZRUMX-DNVJHFABSA-N 2 1 380.617 3.778 20 30 GHEDMP CN(C)C1=[NH+]OC2(C1)CC[NH+](C1CCC(C#N)(c3ccc(F)cc3)CC1)CC2 ZINC001254355023 1040187897 /nfs/dbraw/zinc/18/78/97/1040187897.db2.gz OUECUMCSOZOSKW-UHFFFAOYSA-N 2 1 384.499 3.660 20 30 GHEDMP N#Cc1ccc2nc(C[N@H+]3CC[C@H]4C[NH+](Cc5ccccc5)CC[C@H]4C3)cn2c1 ZINC001237612298 1042280327 /nfs/dbraw/zinc/28/03/27/1042280327.db2.gz UYHVNGWDSBDWSR-VXKWHMMOSA-N 2 1 385.515 3.550 20 30 GHEDMP N#Cc1ccc2nc(C[NH+]3CC[C@H]4C[N@H+](Cc5ccccc5)CC[C@H]4C3)cn2c1 ZINC001237612298 1042280337 /nfs/dbraw/zinc/28/03/37/1042280337.db2.gz UYHVNGWDSBDWSR-VXKWHMMOSA-N 2 1 385.515 3.550 20 30 GHEDMP N#Cc1ccc2nc(C[NH+]3CC[C@H]4C[N@@H+](Cc5ccccc5)CC[C@H]4C3)cn2c1 ZINC001237612298 1042280349 /nfs/dbraw/zinc/28/03/49/1042280349.db2.gz UYHVNGWDSBDWSR-VXKWHMMOSA-N 2 1 385.515 3.550 20 30 GHEDMP CC(C)(C)[C@@]1(C[NH2+]CCNc2ncccc2C#N)CC[N@@H+](Cc2ccccc2)C1 ZINC001462685841 1070469790 /nfs/dbraw/zinc/46/97/90/1070469790.db2.gz JJGVGFIJQSPYSN-XMMPIXPASA-N 2 1 391.563 3.893 20 30 GHEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[NH+]([C@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256552001 1043517164 /nfs/dbraw/zinc/51/71/64/1043517164.db2.gz WTKIGOBMLMFCGC-AYVPJYCDSA-N 2 1 384.564 3.866 20 30 GHEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[NH+]([C@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256552001 1043517175 /nfs/dbraw/zinc/51/71/75/1043517175.db2.gz WTKIGOBMLMFCGC-AYVPJYCDSA-N 2 1 384.564 3.866 20 30 GHEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H]1CC[NH+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256552001 1043517185 /nfs/dbraw/zinc/51/71/85/1043517185.db2.gz WTKIGOBMLMFCGC-AYVPJYCDSA-N 2 1 384.564 3.866 20 30 GHEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@H]1CC[NH+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256552001 1043517194 /nfs/dbraw/zinc/51/71/94/1043517194.db2.gz WTKIGOBMLMFCGC-AYVPJYCDSA-N 2 1 384.564 3.866 20 30 GHEDMP Cn1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4sccc4Cl)C[C@H]3CC2)cc1C#N ZINC001279371647 1047784506 /nfs/dbraw/zinc/78/45/06/1047784506.db2.gz HGYBLMUDKRBZLH-CALCHBBNSA-N 2 1 388.968 3.956 20 30 GHEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4sccc4Cl)C[C@H]3CC2)cc1C#N ZINC001279371647 1047784511 /nfs/dbraw/zinc/78/45/11/1047784511.db2.gz HGYBLMUDKRBZLH-CALCHBBNSA-N 2 1 388.968 3.956 20 30 GHEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4sccc4Cl)C[C@H]3CC2)cc1C#N ZINC001279371647 1047784514 /nfs/dbraw/zinc/78/45/14/1047784514.db2.gz HGYBLMUDKRBZLH-CALCHBBNSA-N 2 1 388.968 3.956 20 30 GHEDMP C[C@H]1C[C@H]([NH2+]CCC(=O)Nc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC001348957533 1063442742 /nfs/dbraw/zinc/44/27/42/1063442742.db2.gz ISUNAYCTWSCIGN-GHTZIAJQSA-N 2 1 376.504 3.530 20 30 GHEDMP C[C@H]1C[C@H]([NH2+]CCC(=O)Nc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC001348957533 1063442753 /nfs/dbraw/zinc/44/27/53/1063442753.db2.gz ISUNAYCTWSCIGN-GHTZIAJQSA-N 2 1 376.504 3.530 20 30 GHEDMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1F ZINC000329365979 834913601 /nfs/dbraw/zinc/91/36/01/834913601.db2.gz IJKWODLFRLJJHZ-IBGZPJMESA-N 2 1 399.514 3.684 20 30 GHEDMP CC[NH+]=C(NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1)N1CCc2ccccc21 ZINC000262812077 834957453 /nfs/dbraw/zinc/95/74/53/834957453.db2.gz UQCVOLBGRVRJNP-UHFFFAOYSA-N 2 1 395.551 3.532 20 30 GHEDMP C=C(C)[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(F)c(F)c1 ZINC000481603495 861850504 /nfs/dbraw/zinc/85/05/04/861850504.db2.gz YWSCYJCLODDDDY-IRLDBZIGSA-N 2 1 387.474 3.591 20 30 GHEDMP COc1cccc(NC(=[NH2+])NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000262006734 850840940 /nfs/dbraw/zinc/84/09/40/850840940.db2.gz IMQHZHUQMXTRRR-AUUYWEPGSA-N 2 1 390.890 3.907 20 30 GHEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)[C@H]2CC ZINC001167988019 853450259 /nfs/dbraw/zinc/45/02/59/853450259.db2.gz ONVKWQWBNVWJHS-ZJYFRZPCSA-N 2 1 385.596 3.813 20 30 GHEDMP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000574692580 855714086 /nfs/dbraw/zinc/71/40/86/855714086.db2.gz BFKYGRGNWOUZRV-HVCNVCAESA-N 2 1 389.543 3.798 20 30 GHEDMP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000574692580 855714095 /nfs/dbraw/zinc/71/40/95/855714095.db2.gz BFKYGRGNWOUZRV-HVCNVCAESA-N 2 1 389.543 3.798 20 30 GHEDMP O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000330288375 862724527 /nfs/dbraw/zinc/72/45/27/862724527.db2.gz DAUAEMMQPDXSCJ-VXKWHMMOSA-N 2 1 385.552 3.507 20 30 GHEDMP O=C(NCc1ccccc1C[NH+]1CC[C@H](O)C1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000330288375 862724540 /nfs/dbraw/zinc/72/45/40/862724540.db2.gz DAUAEMMQPDXSCJ-VXKWHMMOSA-N 2 1 385.552 3.507 20 30 GHEDMP O=C(NCc1ccccc1C[NH+]1CC[C@H](O)C1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000330288375 862724554 /nfs/dbraw/zinc/72/45/54/862724554.db2.gz DAUAEMMQPDXSCJ-VXKWHMMOSA-N 2 1 385.552 3.507 20 30 GHEDMP C#CCCOc1ccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)CC)c3)C2)cc1 ZINC000856552731 881380990 /nfs/dbraw/zinc/38/09/90/881380990.db2.gz GNPHBSVOTYKAII-XMMPIXPASA-N 2 1 393.531 3.589 20 30 GHEDMP C#CCCOc1ccc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)CC)c3)C2)cc1 ZINC000856552731 881381009 /nfs/dbraw/zinc/38/10/09/881381009.db2.gz GNPHBSVOTYKAII-XMMPIXPASA-N 2 1 393.531 3.589 20 30 GHEDMP C#CCCOc1ccc(C[N@@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)CC)c3)C2)cc1 ZINC000856552731 881381027 /nfs/dbraw/zinc/38/10/27/881381027.db2.gz GNPHBSVOTYKAII-XMMPIXPASA-N 2 1 393.531 3.589 20 30 GHEDMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)CCO1 ZINC000597248078 859392877 /nfs/dbraw/zinc/39/28/77/859392877.db2.gz LHQXZBHAKQFHSS-DEOSSOPVSA-N 2 1 393.531 3.680 20 30 GHEDMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)CCO1 ZINC000597248078 859392887 /nfs/dbraw/zinc/39/28/87/859392887.db2.gz LHQXZBHAKQFHSS-DEOSSOPVSA-N 2 1 393.531 3.680 20 30 GHEDMP CC[NH+](CC)[C@H](CNC(=[NH2+])Nc1ccccn1)c1ccc(C(F)(F)F)cc1 ZINC000170911550 860970700 /nfs/dbraw/zinc/97/07/00/860970700.db2.gz FQNBDIMQOXIIAF-MRXNPFEDSA-N 2 1 379.430 3.910 20 30 GHEDMP CCOCCC[N@H+]1CC[C@H](/[NH+]=C/c2ccc(N(CC)CC)cc2O)[C@@H](C)C1 ZINC000734366228 864178907 /nfs/dbraw/zinc/17/89/07/864178907.db2.gz JMFXYIVBYVJVMK-NKDBKUBASA-N 2 1 375.557 3.794 20 30 GHEDMP N#Cc1ccc(N2CCC[C@@H]([NH2+]C3CC[NH+](Cc4ccccc4)CC3)C2)c(F)c1 ZINC000525182614 870123927 /nfs/dbraw/zinc/12/39/27/870123927.db2.gz CCZSOPQFXXLNDD-JOCHJYFZSA-N 2 1 392.522 3.920 20 30 GHEDMP N#Cc1ccc(C[NH+]2CCC(NC[C@H]3CCC[N@H+]3C3CCCCC3)CC2)cc1 ZINC000463248391 871264799 /nfs/dbraw/zinc/26/47/99/871264799.db2.gz OXNOEVSSBPQGBO-XMMPIXPASA-N 2 1 380.580 3.909 20 30 GHEDMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cc(C#N)ccc2F)CC1 ZINC000181626162 871292109 /nfs/dbraw/zinc/29/21/09/871292109.db2.gz ZGAXUAOSRJTFTR-MRXNPFEDSA-N 2 1 384.474 3.829 20 30 GHEDMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cccc(C#N)c2F)CC1 ZINC000539315391 871675746 /nfs/dbraw/zinc/67/57/46/871675746.db2.gz UZSGXQKUQMNBTI-MRXNPFEDSA-N 2 1 384.474 3.829 20 30 GHEDMP CC[NH+](CC)CCCC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000182743558 872726589 /nfs/dbraw/zinc/72/65/89/872726589.db2.gz BNUWVFQVUYMVCL-UHFFFAOYSA-N 2 1 390.959 3.984 20 30 GHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000153030544 873122105 /nfs/dbraw/zinc/12/21/05/873122105.db2.gz RWWMQGWVVWVXIW-HNNXBMFYSA-N 2 1 394.357 3.796 20 30 GHEDMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3ccc(C#N)c(F)c3)CC2)c1C ZINC000192142133 882799824 /nfs/dbraw/zinc/79/98/24/882799824.db2.gz DAWXGQUOJNHHMH-UHFFFAOYSA-N 2 1 396.510 3.814 20 30 GHEDMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3ccc(C#N)c(F)c3)CC2)c1C ZINC000192142133 882799833 /nfs/dbraw/zinc/79/98/33/882799833.db2.gz DAWXGQUOJNHHMH-UHFFFAOYSA-N 2 1 396.510 3.814 20 30 GHEDMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000859214814 883668553 /nfs/dbraw/zinc/66/85/53/883668553.db2.gz OVWDJENZAKYRFW-UHFFFAOYSA-N 2 1 384.911 3.734 20 30 GHEDMP C[NH+](C)CCCC1CC[NH+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1 ZINC000123328568 888696329 /nfs/dbraw/zinc/69/63/29/888696329.db2.gz YDAOKAYNHNBDJT-UHFFFAOYSA-N 2 1 390.959 3.640 20 30 GHEDMP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000533408956 890478834 /nfs/dbraw/zinc/47/88/34/890478834.db2.gz NUYZHQANMDPDGY-HNNXBMFYSA-N 2 1 376.932 3.591 20 30 GHEDMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000533408956 890478839 /nfs/dbraw/zinc/47/88/39/890478839.db2.gz NUYZHQANMDPDGY-HNNXBMFYSA-N 2 1 376.932 3.591 20 30 GHEDMP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000611622464 892291115 /nfs/dbraw/zinc/29/11/15/892291115.db2.gz JVQHVQDIGBPYPE-UPVQGACJSA-N 2 1 375.516 3.682 20 30 GHEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@H]1C ZINC000331377942 898441159 /nfs/dbraw/zinc/44/11/59/898441159.db2.gz FLTOCZFTJYECDC-HZPDHXFCSA-N 2 1 388.581 3.632 20 30 GHEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@H]1C ZINC000331377942 898441163 /nfs/dbraw/zinc/44/11/63/898441163.db2.gz FLTOCZFTJYECDC-HZPDHXFCSA-N 2 1 388.581 3.632 20 30 GHEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@H]1C ZINC000331377942 898441173 /nfs/dbraw/zinc/44/11/73/898441173.db2.gz FLTOCZFTJYECDC-HZPDHXFCSA-N 2 1 388.581 3.632 20 30 GHEDMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@@H]1C ZINC000331377941 898441346 /nfs/dbraw/zinc/44/13/46/898441346.db2.gz FLTOCZFTJYECDC-HOTGVXAUSA-N 2 1 388.581 3.632 20 30 GHEDMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@@H]1C ZINC000331377941 898441354 /nfs/dbraw/zinc/44/13/54/898441354.db2.gz FLTOCZFTJYECDC-HOTGVXAUSA-N 2 1 388.581 3.632 20 30 GHEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@@H]1C ZINC000331377941 898441362 /nfs/dbraw/zinc/44/13/62/898441362.db2.gz FLTOCZFTJYECDC-HOTGVXAUSA-N 2 1 388.581 3.632 20 30 GHEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](CCCC#N)c3ccccc3)CC2)CC1 ZINC000570294119 899247503 /nfs/dbraw/zinc/24/75/03/899247503.db2.gz YVOXMRSYPGHUCM-HSZRJFAPSA-N 2 1 396.579 3.734 20 30 GHEDMP Cc1[nH]c(C2CC[NH+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC2)[nH+]c1C ZINC000886664147 901213652 /nfs/dbraw/zinc/21/36/52/901213652.db2.gz CPKKUPAKXGNPQJ-UHFFFAOYSA-N 2 1 397.548 3.657 20 30 GHEDMP C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001171213095 902707767 /nfs/dbraw/zinc/70/77/67/902707767.db2.gz UIQDHZPRVUQCJI-KNQAVFIVSA-N 2 1 393.531 3.838 20 30 GHEDMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@H](C)Cc3ccc(C#N)cc3)CC[C@@H]21 ZINC001172306547 905461506 /nfs/dbraw/zinc/46/15/06/905461506.db2.gz DAEZZTHUKWVPTP-JFTIXFDTSA-N 2 1 391.563 3.559 20 30 GHEDMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+]([C@H](C)Cc3ccc(C#N)cc3)CC[C@@H]21 ZINC001172306547 905461511 /nfs/dbraw/zinc/46/15/11/905461511.db2.gz DAEZZTHUKWVPTP-JFTIXFDTSA-N 2 1 391.563 3.559 20 30 GHEDMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+]([C@H](C)Cc3ccc(C#N)cc3)CC[C@@H]21 ZINC001172306547 905461515 /nfs/dbraw/zinc/46/15/15/905461515.db2.gz DAEZZTHUKWVPTP-JFTIXFDTSA-N 2 1 391.563 3.559 20 30 GHEDMP C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185742323 907828388 /nfs/dbraw/zinc/82/83/88/907828388.db2.gz UMEOHFFGACTMAX-HSALFYBXSA-N 2 1 382.552 3.564 20 30 GHEDMP C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185742323 907828396 /nfs/dbraw/zinc/82/83/96/907828396.db2.gz UMEOHFFGACTMAX-HSALFYBXSA-N 2 1 382.552 3.564 20 30 GHEDMP CC[C@@H](C)c1ccc(NC(=[NH2+])NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000303780132 915125590 /nfs/dbraw/zinc/12/55/90/915125590.db2.gz LBPWXFZEWYRSIN-GOSISDBHSA-N 2 1 380.536 3.959 20 30 GHEDMP N#Cc1ccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c2cc[nH]c21 ZINC001162941703 1025978963 /nfs/dbraw/zinc/97/89/63/1025978963.db2.gz ZQNDDJYVJGHFSG-OAQYLSRUSA-N 2 1 399.542 3.953 20 30 GHEDMP C#C[C@H](COc1cccc(Cl)c1)Oc1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001218438284 1030936988 /nfs/dbraw/zinc/93/69/88/1030936988.db2.gz IQFOSWTWEWAIGV-HXUWFJFHSA-N 2 1 384.907 3.723 20 30 GHEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC001220600198 1032005337 /nfs/dbraw/zinc/00/53/37/1032005337.db2.gz CZRGTXYSRVTWID-GGAORHGYSA-N 2 1 398.595 3.601 20 30 GHEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC001220600198 1032005360 /nfs/dbraw/zinc/00/53/60/1032005360.db2.gz CZRGTXYSRVTWID-GGAORHGYSA-N 2 1 398.595 3.601 20 30 GHEDMP C=CCN1CC[C@@]2(C[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)C[C@@H]2c2ccccc2)C1=O ZINC001232013180 1035042690 /nfs/dbraw/zinc/04/26/90/1035042690.db2.gz FHQMXVVZCMXTQW-QPPBQGQZSA-N 2 1 386.499 3.567 20 30 GHEDMP C=CCN(CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)C(=O)OCC ZINC001209022156 1035152092 /nfs/dbraw/zinc/15/20/92/1035152092.db2.gz RCGKKEJAIFRVJX-UHFFFAOYSA-N 2 1 385.552 3.619 20 30 GHEDMP C=CCCCC[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCc2ccccn2)C1 ZINC001209203697 1035207300 /nfs/dbraw/zinc/20/73/00/1035207300.db2.gz UDSOHVVDXMRITI-VWNXMTODSA-N 2 1 383.580 3.988 20 30 GHEDMP C=CCCCC[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1ccccn1 ZINC001209203697 1035207304 /nfs/dbraw/zinc/20/73/04/1035207304.db2.gz UDSOHVVDXMRITI-VWNXMTODSA-N 2 1 383.580 3.988 20 30 GHEDMP C=CCCCC[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1ccccn1 ZINC001209203697 1035207307 /nfs/dbraw/zinc/20/73/07/1035207307.db2.gz UDSOHVVDXMRITI-VWNXMTODSA-N 2 1 383.580 3.988 20 30 GHEDMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+]([C@@H](C)Cc1ccc(C#N)cc1)CC2 ZINC001246630929 1037518054 /nfs/dbraw/zinc/51/80/54/1037518054.db2.gz MDFKVGVDMOCUAR-SFHVURJKSA-N 2 1 375.516 3.635 20 30 GHEDMP N#Cc1ccc(O[C@@H]2CCC[N@H+]([C@@H]3CC[NH2+][C@@H](Cc4ccccc4)C3)C2)cc1 ZINC001246970970 1037795285 /nfs/dbraw/zinc/79/52/85/1037795285.db2.gz XLKNFZJQYDEVTB-WMTXJRDZSA-N 2 1 375.516 3.765 20 30 GHEDMP C=CCCCCCC[C@H](O)C[NH+]1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001253239472 1039497019 /nfs/dbraw/zinc/49/70/19/1039497019.db2.gz ZUNNXHNJSNOVLT-QFIPXVFZSA-N 2 1 388.600 3.738 20 30 GHEDMP C=CCCCCCC[C@H](O)C[NH+]1CCC2(CCC[N@@H+]2Cc2cnn(C)c2)CC1 ZINC001253239472 1039497023 /nfs/dbraw/zinc/49/70/23/1039497023.db2.gz ZUNNXHNJSNOVLT-QFIPXVFZSA-N 2 1 388.600 3.738 20 30 GHEDMP C[N@@H+]1CCC[C@@H]([NH+]2CCC(C#N)(c3ccc(Br)cc3)CC2)CC1 ZINC001254524714 1040298719 /nfs/dbraw/zinc/29/87/19/1040298719.db2.gz YXXPTEOTUBXASL-GOSISDBHSA-N 2 1 376.342 3.791 20 30 GHEDMP C[N@H+]1CCC[C@@H]([NH+]2CCC(C#N)(c3ccc(Br)cc3)CC2)CC1 ZINC001254524714 1040298733 /nfs/dbraw/zinc/29/87/33/1040298733.db2.gz YXXPTEOTUBXASL-GOSISDBHSA-N 2 1 376.342 3.791 20 30 GHEDMP CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001235008261 1040498488 /nfs/dbraw/zinc/49/84/88/1040498488.db2.gz PRSDPTTUBGAMDX-DEOSSOPVSA-N 2 1 390.531 3.528 20 30 GHEDMP CN(c1ccc(C#N)cc1)c1ccc(C[N@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001235008261 1040498503 /nfs/dbraw/zinc/49/85/03/1040498503.db2.gz PRSDPTTUBGAMDX-DEOSSOPVSA-N 2 1 390.531 3.528 20 30 GHEDMP COc1ccc(C[N@@H+](CCCc2ccc(C#N)cc2)C2CC[NH2+]CC2)cc1F ZINC001236514593 1041748331 /nfs/dbraw/zinc/74/83/31/1041748331.db2.gz DUUCXMSCWNQYEZ-UHFFFAOYSA-N 2 1 381.495 3.893 20 30 GHEDMP C#Cc1ccc(NC(=O)CC[N@H+](C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)cc1 ZINC001307509906 1049351248 /nfs/dbraw/zinc/35/12/48/1049351248.db2.gz MUQFSOTYPZIYQB-YKSBVNFPSA-N 2 1 389.543 3.981 20 30 GHEDMP C#Cc1ccc(NC(=O)CC[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001307509906 1049351257 /nfs/dbraw/zinc/35/12/57/1049351257.db2.gz MUQFSOTYPZIYQB-YKSBVNFPSA-N 2 1 389.543 3.981 20 30 GHEDMP C#Cc1ccc(NC(=O)CC[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001307509906 1049351268 /nfs/dbraw/zinc/35/12/68/1049351268.db2.gz MUQFSOTYPZIYQB-YKSBVNFPSA-N 2 1 389.543 3.981 20 30 GHEDMP C#Cc1ccc(NC(=O)CC[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001307509906 1049351280 /nfs/dbraw/zinc/35/12/80/1049351280.db2.gz MUQFSOTYPZIYQB-YKSBVNFPSA-N 2 1 389.543 3.981 20 30 GHEDMP C#Cc1ccc(NC(=O)CC[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001307509906 1049351294 /nfs/dbraw/zinc/35/12/94/1049351294.db2.gz MUQFSOTYPZIYQB-YKSBVNFPSA-N 2 1 389.543 3.981 20 30 GHEDMP CCN1CC[NH+](Cc2ccccc2C[NH2+]C2CC(C#N)(c3ccccc3)C2)CC1 ZINC001320870703 1055994431 /nfs/dbraw/zinc/99/44/31/1055994431.db2.gz SLLFLFHNTSRBOT-UHFFFAOYSA-N 2 1 388.559 3.538 20 30 GHEDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCc4cc(C#N)ccc43)cc2F)CC1 ZINC001348554377 1063209544 /nfs/dbraw/zinc/20/95/44/1063209544.db2.gz BRXLLWGRIFHSGA-JOCHJYFZSA-N 2 1 378.495 3.616 20 30 GHEDMP N#Cc1ccc(C[NH+]2CCC(NC[C@@H]3CC[N@H+]3C3CCCCCC3)CC2)cc1 ZINC001474239485 1074305284 /nfs/dbraw/zinc/30/52/84/1074305284.db2.gz ZINHZQOCGOWLOS-DEOSSOPVSA-N 2 1 380.580 3.909 20 30 GHEDMP C#CCOc1ccc(CNc2ccc(N3CC[NH+](C)CC3)c3cc[nH+]cc23)cc1 ZINC001474302028 1074331133 /nfs/dbraw/zinc/33/11/33/1074331133.db2.gz PKWXYFPKPGACFA-UHFFFAOYSA-N 2 1 386.499 3.611 20 30 GHEDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccc(Cl)cc3C#N)CC2)CC1 ZINC000480577999 835113974 /nfs/dbraw/zinc/11/39/74/835113974.db2.gz JPOVINTYENJESZ-UHFFFAOYSA-N 2 1 388.987 3.840 20 30 GHEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cc(C#N)c2ccccc2n1 ZINC000431836023 838582114 /nfs/dbraw/zinc/58/21/14/838582114.db2.gz QHQSHKWUICAVGI-UHFFFAOYSA-N 2 1 391.563 3.739 20 30 GHEDMP C[C@H]1C[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000610809713 844562945 /nfs/dbraw/zinc/56/29/45/844562945.db2.gz QEOLFVSTLFJTCX-WMZHIEFXSA-N 2 1 389.547 3.565 20 30 GHEDMP C[C@H]1C[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000610809713 844562951 /nfs/dbraw/zinc/56/29/51/844562951.db2.gz QEOLFVSTLFJTCX-WMZHIEFXSA-N 2 1 389.547 3.565 20 30 GHEDMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000185685368 861196043 /nfs/dbraw/zinc/19/60/43/861196043.db2.gz FCEAJIACQGMFFN-YQQAZPJKSA-N 2 1 388.943 3.781 20 30 GHEDMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000185685368 861196047 /nfs/dbraw/zinc/19/60/47/861196047.db2.gz FCEAJIACQGMFFN-YQQAZPJKSA-N 2 1 388.943 3.781 20 30 GHEDMP C[NH+]1CCC([NH+]2CCC(Nc3c(C#N)cnc4c(Cl)cccc43)CC2)CC1 ZINC000581663841 841955034 /nfs/dbraw/zinc/95/50/34/841955034.db2.gz IQUPQUOPUJAHEG-UHFFFAOYSA-N 2 1 383.927 3.730 20 30 GHEDMP N#CCc1cccc2c1CC[NH+](C/C=C\C[N@@H+]1CCc3c(CC#N)cccc3C1)C2 ZINC000599676344 861473796 /nfs/dbraw/zinc/47/37/96/861473796.db2.gz AWCQBGDNFQLUCR-UPHRSURJSA-N 2 1 396.538 3.791 20 30 GHEDMP CC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000599660255 861491648 /nfs/dbraw/zinc/49/16/48/861491648.db2.gz KZQNQCYUUCMJQP-UHFFFAOYSA-N 2 1 375.476 3.692 20 30 GHEDMP CC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000599660255 861491660 /nfs/dbraw/zinc/49/16/60/861491660.db2.gz KZQNQCYUUCMJQP-UHFFFAOYSA-N 2 1 375.476 3.692 20 30 GHEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433124412 845453423 /nfs/dbraw/zinc/45/34/23/845453423.db2.gz CDKRBLOTDXEZGC-NRFANRHFSA-N 2 1 383.580 3.788 20 30 GHEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000183157531 846419955 /nfs/dbraw/zinc/41/99/55/846419955.db2.gz DWXDBXPWNGJPLI-GJZGRUSLSA-N 2 1 391.475 3.940 20 30 GHEDMP C=CCOc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1Cl ZINC000657593909 848285037 /nfs/dbraw/zinc/28/50/37/848285037.db2.gz CIYATYVCABOCKA-HXUWFJFHSA-N 2 1 386.923 3.761 20 30 GHEDMP COc1cc2cccnc2c(N(c2cc[nH+]c(CC#N)c2)[C@H](C)CCC[NH3+])c1 ZINC001167612587 848330818 /nfs/dbraw/zinc/33/08/18/848330818.db2.gz GHKJRIGCAQKCNW-MRXNPFEDSA-N 2 1 375.476 3.970 20 30 GHEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(CC#N)cc3Cl)CC2)CC1 ZINC000583153410 849196797 /nfs/dbraw/zinc/19/67/97/849196797.db2.gz KTDAKDPSZFPSKT-UHFFFAOYSA-N 2 1 388.943 3.541 20 30 GHEDMP N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CC[NH2+][C@@H](c4ccccc4)C3)C2)c(F)c1 ZINC000515634418 851276825 /nfs/dbraw/zinc/27/68/25/851276825.db2.gz LKQCMJIGKJHAMQ-JAXLGGSGSA-N 2 1 378.495 3.749 20 30 GHEDMP N#Cc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000550263301 852187394 /nfs/dbraw/zinc/18/73/94/852187394.db2.gz XBWLGVZXQJGQTP-QHCPKHFHSA-N 2 1 375.516 3.577 20 30 GHEDMP C=CC[NH+]1CCC(NC(=O)N(CC)[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000473961367 854440573 /nfs/dbraw/zinc/44/05/73/854440573.db2.gz WNIPSMUJBSWJKU-SIKLNZKXSA-N 2 1 384.568 3.504 20 30 GHEDMP C[C@]1(CNC(=O)N2CCC(c3c[nH]cn3)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000330245084 862690031 /nfs/dbraw/zinc/69/00/31/862690031.db2.gz DOGVDWCXVGJPCH-JOCHJYFZSA-N 2 1 381.524 3.558 20 30 GHEDMP C[C@]1(CNC(=O)N2CCC(c3cnc[nH]3)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000330245084 862690039 /nfs/dbraw/zinc/69/00/39/862690039.db2.gz DOGVDWCXVGJPCH-JOCHJYFZSA-N 2 1 381.524 3.558 20 30 GHEDMP C[C@]1(CNC(=O)N2CCC(c3cnc[nH]3)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000330245084 862690044 /nfs/dbraw/zinc/69/00/44/862690044.db2.gz DOGVDWCXVGJPCH-JOCHJYFZSA-N 2 1 381.524 3.558 20 30 GHEDMP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000595066809 858370902 /nfs/dbraw/zinc/37/09/02/858370902.db2.gz FGLUBOWJUYRWKP-VWNXMTODSA-N 2 1 375.516 3.682 20 30 GHEDMP COc1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)ccc1C#N ZINC000521945006 858477232 /nfs/dbraw/zinc/47/72/32/858477232.db2.gz ZPXMNUAEEOYRFY-YTFSRNRJSA-N 2 1 375.516 3.957 20 30 GHEDMP C=CCOc1ccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)CC)c3)C2)cc1 ZINC000856553546 881384881 /nfs/dbraw/zinc/38/48/81/881384881.db2.gz BYQZIQKQWYRPGA-QHCPKHFHSA-N 2 1 381.520 3.751 20 30 GHEDMP C=CCOc1ccc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)CC)c3)C2)cc1 ZINC000856553546 881384913 /nfs/dbraw/zinc/38/49/13/881384913.db2.gz BYQZIQKQWYRPGA-QHCPKHFHSA-N 2 1 381.520 3.751 20 30 GHEDMP C=CCOc1ccc(C[N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)CC)c3)C2)cc1 ZINC000856553546 881384945 /nfs/dbraw/zinc/38/49/45/881384945.db2.gz BYQZIQKQWYRPGA-QHCPKHFHSA-N 2 1 381.520 3.751 20 30 GHEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CC1(C#N)CCCCC1 ZINC000597358902 859481805 /nfs/dbraw/zinc/48/18/05/859481805.db2.gz WWRCLWLNNFLXDW-UHFFFAOYSA-N 2 1 388.600 3.505 20 30 GHEDMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCN1C ZINC000123810914 860093346 /nfs/dbraw/zinc/09/33/46/860093346.db2.gz BNDCFEUTXGQZBZ-HZPDHXFCSA-N 2 1 388.581 3.632 20 30 GHEDMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[N@@H+]1C ZINC000123810914 860093356 /nfs/dbraw/zinc/09/33/56/860093356.db2.gz BNDCFEUTXGQZBZ-HZPDHXFCSA-N 2 1 388.581 3.632 20 30 GHEDMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[N@H+]1C ZINC000123810914 860093362 /nfs/dbraw/zinc/09/33/62/860093362.db2.gz BNDCFEUTXGQZBZ-HZPDHXFCSA-N 2 1 388.581 3.632 20 30 GHEDMP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[NH+]1C ZINC000123810914 860093371 /nfs/dbraw/zinc/09/33/71/860093371.db2.gz BNDCFEUTXGQZBZ-HZPDHXFCSA-N 2 1 388.581 3.632 20 30 GHEDMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[NH+]1C ZINC000123810914 860093378 /nfs/dbraw/zinc/09/33/78/860093378.db2.gz BNDCFEUTXGQZBZ-HZPDHXFCSA-N 2 1 388.581 3.632 20 30 GHEDMP Cc1cc(C#N)ccc1C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856604131 881580687 /nfs/dbraw/zinc/58/06/87/881580687.db2.gz JRMVJBAXZSMTKS-QHCPKHFHSA-N 2 1 378.520 3.755 20 30 GHEDMP Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856604131 881580692 /nfs/dbraw/zinc/58/06/92/881580692.db2.gz JRMVJBAXZSMTKS-QHCPKHFHSA-N 2 1 378.520 3.755 20 30 GHEDMP Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856604131 881580706 /nfs/dbraw/zinc/58/07/06/881580706.db2.gz JRMVJBAXZSMTKS-QHCPKHFHSA-N 2 1 378.520 3.755 20 30 GHEDMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000158968233 864000785 /nfs/dbraw/zinc/00/07/85/864000785.db2.gz QKNQHZMEGZPKAP-NRFANRHFSA-N 2 1 396.579 3.910 20 30 GHEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000158968233 864000799 /nfs/dbraw/zinc/00/07/99/864000799.db2.gz QKNQHZMEGZPKAP-NRFANRHFSA-N 2 1 396.579 3.910 20 30 GHEDMP Cc1ccc(NC(=[NH2+])NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1C ZINC000303906050 866398052 /nfs/dbraw/zinc/39/80/52/866398052.db2.gz VVDCFTJUKBWYBC-KDURUIRLSA-N 2 1 380.536 3.839 20 30 GHEDMP CC1(C#N)CCC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CC1 ZINC000449345423 874737487 /nfs/dbraw/zinc/73/74/87/874737487.db2.gz VMSVHQUROKSMEC-DDRJZQQSSA-N 2 1 381.564 3.977 20 30 GHEDMP CCOc1ccc([C@@H]2CCNC[C@@H]2[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000854223708 879641923 /nfs/dbraw/zinc/64/19/23/879641923.db2.gz UQXDNFVMHZXEJY-RTFZILSDSA-N 2 1 379.504 3.784 20 30 GHEDMP C=C(C)C[NH+]1CCC(NC(=O)N(CC)[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000135419961 883371875 /nfs/dbraw/zinc/37/18/75/883371875.db2.gz KPTZGFQLVWVXPC-NZQKXSOJSA-N 2 1 398.595 3.894 20 30 GHEDMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000191469582 885058314 /nfs/dbraw/zinc/05/83/14/885058314.db2.gz JQXKRWXMFMQERB-OAHLLOKOSA-N 2 1 399.564 3.607 20 30 GHEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000191469582 885058326 /nfs/dbraw/zinc/05/83/26/885058326.db2.gz JQXKRWXMFMQERB-OAHLLOKOSA-N 2 1 399.564 3.607 20 30 GHEDMP N#CCOc1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC001137124179 893717912 /nfs/dbraw/zinc/71/79/12/893717912.db2.gz SNZGAOBHYGBPRR-XZOQPEGZSA-N 2 1 375.516 3.933 20 30 GHEDMP N#CCOc1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC001137124179 893717924 /nfs/dbraw/zinc/71/79/24/893717924.db2.gz SNZGAOBHYGBPRR-XZOQPEGZSA-N 2 1 375.516 3.933 20 30 GHEDMP N#CCOc1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC001137124179 893717937 /nfs/dbraw/zinc/71/79/37/893717937.db2.gz SNZGAOBHYGBPRR-XZOQPEGZSA-N 2 1 375.516 3.933 20 30 GHEDMP C[C@@H]1C[C@@H](NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C[N@H+]1Cc1ccccc1 ZINC001171734610 905018260 /nfs/dbraw/zinc/01/82/60/905018260.db2.gz OVGVFDJMDAVSBS-ZJSXRUAMSA-N 2 1 388.559 3.797 20 30 GHEDMP COC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@@H](C)Cc3ccc(C#N)cc3)CC2)c1 ZINC001172312997 905469033 /nfs/dbraw/zinc/46/90/33/905469033.db2.gz NKSSSARDTOZXDC-SFHVURJKSA-N 2 1 391.515 3.530 20 30 GHEDMP C[C@@H](CCCC#N)[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCc2ccccn2)C1 ZINC001172496091 905597805 /nfs/dbraw/zinc/59/78/05/905597805.db2.gz XHGDCGOHNSRCQC-BGWNEDDSSA-N 2 1 396.579 3.714 20 30 GHEDMP C[C@@H](CCCC#N)[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1ccccn1 ZINC001172496091 905597823 /nfs/dbraw/zinc/59/78/23/905597823.db2.gz XHGDCGOHNSRCQC-BGWNEDDSSA-N 2 1 396.579 3.714 20 30 GHEDMP C[C@@H](CCCC#N)[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1ccccn1 ZINC001172496091 905597832 /nfs/dbraw/zinc/59/78/32/905597832.db2.gz XHGDCGOHNSRCQC-BGWNEDDSSA-N 2 1 396.579 3.714 20 30 GHEDMP CC1(C#N)CCC([N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)CC1 ZINC001173595424 906549113 /nfs/dbraw/zinc/54/91/13/906549113.db2.gz OVUIKGCOWAMKTI-ABZZFDDBSA-N 2 1 385.596 3.919 20 30 GHEDMP CC1(C#N)CCC([NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)CC1 ZINC001173595424 906549123 /nfs/dbraw/zinc/54/91/23/906549123.db2.gz OVUIKGCOWAMKTI-ABZZFDDBSA-N 2 1 385.596 3.919 20 30 GHEDMP CC1(C#N)CCC([NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)CC1 ZINC001173595424 906549135 /nfs/dbraw/zinc/54/91/35/906549135.db2.gz OVUIKGCOWAMKTI-ABZZFDDBSA-N 2 1 385.596 3.919 20 30 GHEDMP C[N@@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](C1CCC(C)(C#N)CC1)CC2 ZINC001173594969 906549524 /nfs/dbraw/zinc/54/95/24/906549524.db2.gz JDXJTGNDBWWORD-ATKRNPRHSA-N 2 1 382.552 3.609 20 30 GHEDMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)N(CCC#N)c1ccccc1 ZINC000185742344 907828129 /nfs/dbraw/zinc/82/81/29/907828129.db2.gz UMEOHFFGACTMAX-UFYCRDLUSA-N 2 1 382.552 3.564 20 30 GHEDMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)N(CCC#N)c1ccccc1 ZINC000185742344 907828138 /nfs/dbraw/zinc/82/81/38/907828138.db2.gz UMEOHFFGACTMAX-UFYCRDLUSA-N 2 1 382.552 3.564 20 30 GHEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000190622337 908509847 /nfs/dbraw/zinc/50/98/47/908509847.db2.gz LIMWBCZTZGNTNM-HXOBKFHXSA-N 2 1 399.498 3.504 20 30 GHEDMP C[C@H]1CCC[N@@H+](CCCCNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000304491558 915525336 /nfs/dbraw/zinc/52/53/36/915525336.db2.gz NZBMRPULIIQOKA-HNNXBMFYSA-N 2 1 386.462 3.502 20 30 GHEDMP C[C@@H]1CCCC[N@H+]1CCCCNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1 ZINC000304504422 915526157 /nfs/dbraw/zinc/52/61/57/915526157.db2.gz TUODRBDYADMTHQ-OAHLLOKOSA-N 2 1 386.462 3.644 20 30 GHEDMP CCC[N@H+](Cc1ccc(C#N)cc1F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477067 919391684 /nfs/dbraw/zinc/39/16/84/919391684.db2.gz AFRPGHVPQRJECO-UHFFFAOYSA-N 2 1 381.499 3.985 20 30 GHEDMP CCC[N@@H+](Cc1ccc(C#N)cc1F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477067 919391699 /nfs/dbraw/zinc/39/16/99/919391699.db2.gz AFRPGHVPQRJECO-UHFFFAOYSA-N 2 1 381.499 3.985 20 30 GHEDMP C=C(C)C[NH+]1CCC(Nc2cc(NC3CC[NH+](CC(=C)C)CC3)nc(C)n2)CC1 ZINC000676877012 924124243 /nfs/dbraw/zinc/12/42/43/924124243.db2.gz NSJSKDYBPCHJIZ-UHFFFAOYSA-N 2 1 398.599 3.690 20 30 GHEDMP N#CC1(CC[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCCCC1 ZINC000411724051 926692850 /nfs/dbraw/zinc/69/28/50/926692850.db2.gz XQRLYZQOUWJDNA-HSZRJFAPSA-N 2 1 380.580 3.743 20 30 GHEDMP N#CC1(CC[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CCCCC1 ZINC000411724051 926692857 /nfs/dbraw/zinc/69/28/57/926692857.db2.gz XQRLYZQOUWJDNA-HSZRJFAPSA-N 2 1 380.580 3.743 20 30 GHEDMP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1ccc(Oc3ccc(C#N)cc3)cc1)CC2 ZINC001141292336 1024421961 /nfs/dbraw/zinc/42/19/61/1024421961.db2.gz YZOGLBSRPWBTKO-UHFFFAOYSA-N 2 1 390.487 3.981 20 30 GHEDMP C#CCOc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001138559445 1025022112 /nfs/dbraw/zinc/02/21/12/1025022112.db2.gz VCODACFEQNAKIB-GPUOULLFSA-N 2 1 389.543 3.826 20 30 GHEDMP C#CCOc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001138559445 1025022125 /nfs/dbraw/zinc/02/21/25/1025022125.db2.gz VCODACFEQNAKIB-GPUOULLFSA-N 2 1 389.543 3.826 20 30 GHEDMP C#CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001138559445 1025022133 /nfs/dbraw/zinc/02/21/33/1025022133.db2.gz VCODACFEQNAKIB-GPUOULLFSA-N 2 1 389.543 3.826 20 30 GHEDMP C#CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001138559445 1025022141 /nfs/dbraw/zinc/02/21/41/1025022141.db2.gz VCODACFEQNAKIB-GPUOULLFSA-N 2 1 389.543 3.826 20 30 GHEDMP CC[NH+](CC)CCNC(=[NH2+])Nc1c(C#N)c(Cl)nc2cccc(Cl)c21 ZINC001163130118 1026059330 /nfs/dbraw/zinc/05/93/30/1026059330.db2.gz VVYSMWATJQOFLX-UHFFFAOYSA-N 2 1 379.295 3.691 20 30 GHEDMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(C#N)c(F)c1)CC2 ZINC001139528095 1026386003 /nfs/dbraw/zinc/38/60/03/1026386003.db2.gz MKLVTMOGEXQMEP-IBGZPJMESA-N 2 1 383.467 3.546 20 30 GHEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(N(c2cccc(C[NH3+])c2)S(C)(=O)=O)cc1 ZINC001166503862 1027018212 /nfs/dbraw/zinc/01/82/12/1027018212.db2.gz WWQXXKDSAHOGEA-OAQYLSRUSA-N 2 1 385.533 3.566 20 30 GHEDMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4ccc(C#N)cc4)CC3)C2)cc1 ZINC001203901492 1027694186 /nfs/dbraw/zinc/69/41/86/1027694186.db2.gz OAENFAKEVUMKGE-UHFFFAOYSA-N 2 1 375.516 3.734 20 30 GHEDMP C=CC[N@H+]1CCc2c(Cl)c(O[C@@H]3C[NH2+][C@H]3C)c(O)cc2[C@@H](c2ccccc2)C1 ZINC001218393744 1030917793 /nfs/dbraw/zinc/91/77/93/1030917793.db2.gz VWSBYBKDTLFIQN-NYSBEXSLSA-N 2 1 398.934 3.961 20 30 GHEDMP C=CCOC[C@H]1CCC[C@@]12C[N@@H+](CC1CC[NH+](Cc3ccccc3)CC1)CCO2 ZINC001207290840 1034241964 /nfs/dbraw/zinc/24/19/64/1034241964.db2.gz HKBZEJXCTOIRFW-JWQCQUIFSA-N 2 1 398.591 3.972 20 30 GHEDMP COc1cc(C#N)ccc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001231618538 1034775629 /nfs/dbraw/zinc/77/56/29/1034775629.db2.gz NWGPISQAVVIWNK-WWPVKYPJSA-N 2 1 390.531 3.694 20 30 GHEDMP COc1cc(C#N)ccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001231618538 1034775644 /nfs/dbraw/zinc/77/56/44/1034775644.db2.gz NWGPISQAVVIWNK-WWPVKYPJSA-N 2 1 390.531 3.694 20 30 GHEDMP COc1cc(C#N)ccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001231618538 1034775657 /nfs/dbraw/zinc/77/56/57/1034775657.db2.gz NWGPISQAVVIWNK-WWPVKYPJSA-N 2 1 390.531 3.694 20 30 GHEDMP COc1cc(C#N)ccc1C[NH+]1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001231618538 1034775671 /nfs/dbraw/zinc/77/56/71/1034775671.db2.gz NWGPISQAVVIWNK-WWPVKYPJSA-N 2 1 390.531 3.694 20 30 GHEDMP C=CCCCCC[C@H]([NH3+])C(=O)N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001160284185 1034928145 /nfs/dbraw/zinc/92/81/45/1034928145.db2.gz ZIYJVSVFMKMZDG-GMAHTHKFSA-N 2 1 387.543 3.856 20 30 GHEDMP C=CCCCCC[C@H]([NH3+])C(=O)N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001160284185 1034928151 /nfs/dbraw/zinc/92/81/51/1034928151.db2.gz ZIYJVSVFMKMZDG-GMAHTHKFSA-N 2 1 387.543 3.856 20 30 GHEDMP CN(CCC#N)c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001231821169 1034929492 /nfs/dbraw/zinc/92/94/92/1034929492.db2.gz ROXIJPYCUKIECD-BJKOFHAPSA-N 2 1 388.559 3.990 20 30 GHEDMP CN(CCC#N)c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001231821169 1034929494 /nfs/dbraw/zinc/92/94/94/1034929494.db2.gz ROXIJPYCUKIECD-BJKOFHAPSA-N 2 1 388.559 3.990 20 30 GHEDMP CN(CCC#N)c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001231821169 1034929498 /nfs/dbraw/zinc/92/94/98/1034929498.db2.gz ROXIJPYCUKIECD-BJKOFHAPSA-N 2 1 388.559 3.990 20 30 GHEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](C[C@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208935790 1035102046 /nfs/dbraw/zinc/10/20/46/1035102046.db2.gz LQZPGPZRIKEDPD-KMDXXIMOSA-N 2 1 384.564 3.725 20 30 GHEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[NH+](C[C@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001208935790 1035102051 /nfs/dbraw/zinc/10/20/51/1035102051.db2.gz LQZPGPZRIKEDPD-KMDXXIMOSA-N 2 1 384.564 3.725 20 30 GHEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[NH+](C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208935790 1035102054 /nfs/dbraw/zinc/10/20/54/1035102054.db2.gz LQZPGPZRIKEDPD-KMDXXIMOSA-N 2 1 384.564 3.725 20 30 GHEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H](C)CCc1ccc2cc(OC)ccc2c1 ZINC001246303117 1037285363 /nfs/dbraw/zinc/28/53/63/1037285363.db2.gz GZXWUTYCWVEKOA-JPYJTQIMSA-N 2 1 398.547 3.986 20 30 GHEDMP CC(C)(C)c1ccc(-c2noc([C@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)c(C#N)c1 ZINC001247904361 1038475453 /nfs/dbraw/zinc/47/54/53/1038475453.db2.gz DNZNBCJQALOFQL-INIZCTEOSA-N 2 1 393.535 3.837 20 30 GHEDMP C[N@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1ccc(C#N)cc1O)CC2 ZINC001233385150 1039210713 /nfs/dbraw/zinc/21/07/13/1039210713.db2.gz WCTVVAJINNLAPC-UHFFFAOYSA-N 2 1 376.504 3.535 20 30 GHEDMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1ccc(C#N)cc1O)CC2 ZINC001233385150 1039210724 /nfs/dbraw/zinc/21/07/24/1039210724.db2.gz WCTVVAJINNLAPC-UHFFFAOYSA-N 2 1 376.504 3.535 20 30 GHEDMP CN(CCC#N)c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1 ZINC001235375377 1040886837 /nfs/dbraw/zinc/88/68/37/1040886837.db2.gz ZNURZLSCNDLTRS-UKILVPOCSA-N 2 1 388.559 3.790 20 30 GHEDMP CN(c1ccc(C#N)cc1)c1ccc(C[N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)cc1 ZINC001235401089 1040914987 /nfs/dbraw/zinc/91/49/87/1040914987.db2.gz FMYFTKQNYQHIOP-XZOQPEGZSA-N 2 1 378.495 3.850 20 30 GHEDMP COc1cc(CN2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)ccc1C#N ZINC001238412287 1042587783 /nfs/dbraw/zinc/58/77/83/1042587783.db2.gz DKQBKJXADMJXCY-JVNMPXIPSA-N 2 1 377.532 3.962 20 30 GHEDMP COc1cc(C[N@@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)ccc1C#N ZINC001238412287 1042587785 /nfs/dbraw/zinc/58/77/85/1042587785.db2.gz DKQBKJXADMJXCY-JVNMPXIPSA-N 2 1 377.532 3.962 20 30 GHEDMP COc1cc(C[N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)ccc1C#N ZINC001238412287 1042587786 /nfs/dbraw/zinc/58/77/86/1042587786.db2.gz DKQBKJXADMJXCY-JVNMPXIPSA-N 2 1 377.532 3.962 20 30 GHEDMP COc1cc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)ccc1C#N ZINC001238412287 1042587790 /nfs/dbraw/zinc/58/77/90/1042587790.db2.gz DKQBKJXADMJXCY-JVNMPXIPSA-N 2 1 377.532 3.962 20 30 GHEDMP CCCCCCCCCCNC(=S)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001239364664 1042813857 /nfs/dbraw/zinc/81/38/57/1042813857.db2.gz BKFJIQMHXKNFAN-UHFFFAOYSA-N 2 1 382.662 3.808 20 30 GHEDMP COC[C@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](C1CCC(C#N)CC1)CC2 ZINC001256967045 1043776502 /nfs/dbraw/zinc/77/65/02/1043776502.db2.gz TWFDMUOYCSQVPB-CTWPCTMYSA-N 2 1 388.581 3.528 20 30 GHEDMP C[N@@H+]1CCC[C@@H](C[NH2+]CCC(=O)Nc2cccc(C#N)c2)[C@H]1c1cccs1 ZINC001329140978 1050731717 /nfs/dbraw/zinc/73/17/17/1050731717.db2.gz IRCYNUCAQCDNFZ-UWJYYQICSA-N 2 1 382.533 3.621 20 30 GHEDMP C[N@H+]1CCC[C@@H](C[NH2+]CCC(=O)Nc2cccc(C#N)c2)[C@H]1c1cccs1 ZINC001329140978 1050731726 /nfs/dbraw/zinc/73/17/26/1050731726.db2.gz IRCYNUCAQCDNFZ-UWJYYQICSA-N 2 1 382.533 3.621 20 30 GHEDMP C=CCCC(C)(C)CNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001313126149 1052964397 /nfs/dbraw/zinc/96/43/97/1052964397.db2.gz QOFGKTGEOJHVGV-UHFFFAOYSA-N 2 1 392.632 3.817 20 30 GHEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC001474553255 1074461361 /nfs/dbraw/zinc/46/13/61/1074461361.db2.gz YOIXSXKHZILHSU-CYBMUJFWSA-N 2 1 389.849 3.621 20 30 GHEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC001474553255 1074461367 /nfs/dbraw/zinc/46/13/67/1074461367.db2.gz YOIXSXKHZILHSU-CYBMUJFWSA-N 2 1 389.849 3.621 20 30 GHEDMP C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000159252411 835783094 /nfs/dbraw/zinc/78/30/94/835783094.db2.gz OWOFAFXHMPEPRT-NFBKMPQASA-N 2 1 398.595 3.721 20 30 GHEDMP CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)Cc1ccc(C[NH+](C)C)cc1 ZINC000599662226 861452962 /nfs/dbraw/zinc/45/29/62/861452962.db2.gz ZTNRZMUNQFFPGA-UHFFFAOYSA-N 2 1 384.549 3.759 20 30 GHEDMP CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)Cc1ccc(C[NH+](C)C)cc1 ZINC000599662226 861452968 /nfs/dbraw/zinc/45/29/68/861452968.db2.gz ZTNRZMUNQFFPGA-UHFFFAOYSA-N 2 1 384.549 3.759 20 30 GHEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000183157510 846419888 /nfs/dbraw/zinc/41/98/88/846419888.db2.gz DWXDBXPWNGJPLI-LSDHHAIUSA-N 2 1 391.475 3.940 20 30 GHEDMP COc1cc2cccnc2c(N(c2cc[nH+]c(CC#N)c2)[C@@H](C)CCC[NH3+])c1 ZINC001167612586 848330358 /nfs/dbraw/zinc/33/03/58/848330358.db2.gz GHKJRIGCAQKCNW-INIZCTEOSA-N 2 1 375.476 3.970 20 30 GHEDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C(=O)Nc1cccc(C#N)c1 ZINC000515756783 851438837 /nfs/dbraw/zinc/43/88/37/851438837.db2.gz CQOZYCCATPAILC-RTBURBONSA-N 2 1 390.531 3.907 20 30 GHEDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CC#Cc3cccc(Cl)c3)CC2)CC1 ZINC000438461447 852439068 /nfs/dbraw/zinc/43/90/68/852439068.db2.gz ZTBLARMSKNNZLJ-UHFFFAOYSA-N 2 1 387.999 3.820 20 30 GHEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000765781662 854813640 /nfs/dbraw/zinc/81/36/40/854813640.db2.gz WHOHKTDCTBDTMY-SFHVURJKSA-N 2 1 379.976 3.742 20 30 GHEDMP C=CC[NH+]1CCC(NC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)CC1 ZINC000592484781 856893457 /nfs/dbraw/zinc/89/34/57/856893457.db2.gz QEDAXBWMOSGXDZ-LJQANCHMSA-N 2 1 384.568 3.511 20 30 GHEDMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCCc4cc(C#N)ccc43)c2)CCO1 ZINC000611391257 859742154 /nfs/dbraw/zinc/74/21/54/859742154.db2.gz LIKPGQIJZJRFGM-UUOWRZLLSA-N 2 1 375.516 3.946 20 30 GHEDMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCCc4cc(C#N)ccc43)c2)CCO1 ZINC000611391257 859742157 /nfs/dbraw/zinc/74/21/57/859742157.db2.gz LIKPGQIJZJRFGM-UUOWRZLLSA-N 2 1 375.516 3.946 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000608061419 864955054 /nfs/dbraw/zinc/95/50/54/864955054.db2.gz AFSCVECIPOBIMN-ZFWWWQNUSA-N 2 1 383.330 3.595 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000608061419 864955064 /nfs/dbraw/zinc/95/50/64/864955064.db2.gz AFSCVECIPOBIMN-ZFWWWQNUSA-N 2 1 383.330 3.595 20 30 GHEDMP C=CC[NH+]1CCC(NC(=O)N(CCC)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000171739912 865349987 /nfs/dbraw/zinc/34/99/87/865349987.db2.gz DZDGCVDQAFHZPB-HSZRJFAPSA-N 2 1 398.595 3.723 20 30 GHEDMP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)C[C@H](C)O1 ZINC000553025475 866644124 /nfs/dbraw/zinc/64/41/24/866644124.db2.gz AAJDJOAQRBBJCT-PMACEKPBSA-N 2 1 399.579 3.578 20 30 GHEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCC(=O)N1Cc3ccccc3C#Cc3ccccc31)C2 ZINC001169114799 871247407 /nfs/dbraw/zinc/24/74/07/871247407.db2.gz YQKQWKLQNHJOFF-JOZNFPNDSA-N 2 1 399.538 3.538 20 30 GHEDMP C[C@@H]1CCCC[N@H+]1CCC1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000478047329 872417314 /nfs/dbraw/zinc/41/73/14/872417314.db2.gz PYPXKTYRSJHJCW-AUSIDOKSSA-N 2 1 394.563 3.640 20 30 GHEDMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000478047329 872417323 /nfs/dbraw/zinc/41/73/23/872417323.db2.gz PYPXKTYRSJHJCW-AUSIDOKSSA-N 2 1 394.563 3.640 20 30 GHEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000478047329 872417327 /nfs/dbraw/zinc/41/73/27/872417327.db2.gz PYPXKTYRSJHJCW-AUSIDOKSSA-N 2 1 394.563 3.640 20 30 GHEDMP C=CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000775665517 872518026 /nfs/dbraw/zinc/51/80/26/872518026.db2.gz RFQDSOOQFIYZLK-UHFFFAOYSA-N 2 1 380.492 3.535 20 30 GHEDMP CC[N@@H+](CCC1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1)CC1CC1 ZINC000537847179 878387258 /nfs/dbraw/zinc/38/72/58/878387258.db2.gz QXGCEOQAVXYQGY-UHFFFAOYSA-N 2 1 382.552 3.721 20 30 GHEDMP C[NH+](C)CCCC1CC[NH+](CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000123201885 883200045 /nfs/dbraw/zinc/20/00/45/883200045.db2.gz DUGWDQIYOUGULE-UHFFFAOYSA-N 2 1 380.536 3.791 20 30 GHEDMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000191469562 885058041 /nfs/dbraw/zinc/05/80/41/885058041.db2.gz JQXKRWXMFMQERB-HNNXBMFYSA-N 2 1 399.564 3.607 20 30 GHEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000191469562 885058049 /nfs/dbraw/zinc/05/80/49/885058049.db2.gz JQXKRWXMFMQERB-HNNXBMFYSA-N 2 1 399.564 3.607 20 30 GHEDMP CC(C)C[N@H+](CC(=O)Nc1ccccc1SCC#N)CC1CC[NH+](C)CC1 ZINC000879702996 895242301 /nfs/dbraw/zinc/24/23/01/895242301.db2.gz BEBZREITUVAXEF-UHFFFAOYSA-N 2 1 388.581 3.541 20 30 GHEDMP C=CCOC1CCC([NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)CC1 ZINC001173320245 906391589 /nfs/dbraw/zinc/39/15/89/906391589.db2.gz JOSDDDCDMZPIAE-UHFFFAOYSA-N 2 1 384.564 3.867 20 30 GHEDMP N#Cc1ccc(C(=O)N2CCC([N@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)CC2)cc1 ZINC001173432278 906468477 /nfs/dbraw/zinc/46/84/77/906468477.db2.gz XCPVDZHUJKVRBQ-JOCHJYFZSA-N 2 1 394.563 3.503 20 30 GHEDMP C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179389707 906491247 /nfs/dbraw/zinc/49/12/47/906491247.db2.gz NVCWGPBPPHBYEA-SFHVURJKSA-N 2 1 391.519 3.519 20 30 GHEDMP C[C@@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1ccc(C#N)cc1 ZINC000181677188 907055290 /nfs/dbraw/zinc/05/52/90/907055290.db2.gz NEWMACCUIYBXRW-LJQANCHMSA-N 2 1 393.531 3.899 20 30 GHEDMP N#Cc1cccc2c1C[N@H+](CC1CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC001182664745 911934142 /nfs/dbraw/zinc/93/41/42/911934142.db2.gz BBJQWSSNTSZXQL-UHFFFAOYSA-N 2 1 390.487 3.737 20 30 GHEDMP N#Cc1cccc2c1C[N@@H+](CC1CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC001182664745 911934158 /nfs/dbraw/zinc/93/41/58/911934158.db2.gz BBJQWSSNTSZXQL-UHFFFAOYSA-N 2 1 390.487 3.737 20 30 GHEDMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000303873133 915232346 /nfs/dbraw/zinc/23/23/46/915232346.db2.gz CFWQWJSNCRYIEH-UHFFFAOYSA-N 2 1 382.508 3.615 20 30 GHEDMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])N2CCCCC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000304758241 915674499 /nfs/dbraw/zinc/67/44/99/915674499.db2.gz PSNLVUCEIPDXKY-WMZOPIPTSA-N 2 1 382.474 3.889 20 30 GHEDMP C=CCCC[C@@H](C)NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000362032322 917042977 /nfs/dbraw/zinc/04/29/77/917042977.db2.gz KWGUBQGZEMRDAZ-LJQANCHMSA-N 2 1 378.605 3.569 20 30 GHEDMP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCC(c3c[nH]cn3)CC2)c1 ZINC000374206483 926898040 /nfs/dbraw/zinc/89/80/40/926898040.db2.gz DZCDLUMHLAZVOE-GOSISDBHSA-N 2 1 379.508 3.541 20 30 GHEDMP C=CCOc1c(Br)cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000470009945 930312946 /nfs/dbraw/zinc/31/29/46/930312946.db2.gz SISRQSREKHIEOA-XYPWUTKMSA-N 2 1 395.341 3.737 20 30 GHEDMP C=CCOc1c(Br)cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000470009945 930312952 /nfs/dbraw/zinc/31/29/52/930312952.db2.gz SISRQSREKHIEOA-XYPWUTKMSA-N 2 1 395.341 3.737 20 30 GHEDMP CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001116439514 933558866 /nfs/dbraw/zinc/55/88/66/933558866.db2.gz DUMIVCMJDWDTFZ-UHFFFAOYSA-N 2 1 380.511 3.860 20 30 GHEDMP CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001116439514 933558870 /nfs/dbraw/zinc/55/88/70/933558870.db2.gz DUMIVCMJDWDTFZ-UHFFFAOYSA-N 2 1 380.511 3.860 20 30 GHEDMP Cn1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000471022829 1016944381 /nfs/dbraw/zinc/94/43/81/1016944381.db2.gz QFVMKGYKVHJTEA-ZRZAMGCNSA-N 2 1 397.526 3.523 20 30 GHEDMP Cn1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000471022829 1016944389 /nfs/dbraw/zinc/94/43/89/1016944389.db2.gz QFVMKGYKVHJTEA-ZRZAMGCNSA-N 2 1 397.526 3.523 20 30 GHEDMP Cn1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000471022829 1016944393 /nfs/dbraw/zinc/94/43/93/1016944393.db2.gz QFVMKGYKVHJTEA-ZRZAMGCNSA-N 2 1 397.526 3.523 20 30 GHEDMP Cn1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000471022829 1016944397 /nfs/dbraw/zinc/94/43/97/1016944397.db2.gz QFVMKGYKVHJTEA-ZRZAMGCNSA-N 2 1 397.526 3.523 20 30 GHEDMP N#Cc1cnc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c(Cl)c1 ZINC001155357367 1032516502 /nfs/dbraw/zinc/51/65/02/1032516502.db2.gz FLYOYWMDXTVVNJ-IBGZPJMESA-N 2 1 395.938 3.520 20 30 GHEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(-n3cc[nH+]c3C)cc1)C2 ZINC001138542586 1024984832 /nfs/dbraw/zinc/98/48/32/1024984832.db2.gz GCPFCBPWPCLUOZ-DHIUTWEWSA-N 2 1 381.520 3.754 20 30 GHEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(-n3cc[nH+]c3C)cc1)C2 ZINC001138542586 1024984838 /nfs/dbraw/zinc/98/48/38/1024984838.db2.gz GCPFCBPWPCLUOZ-DHIUTWEWSA-N 2 1 381.520 3.754 20 30 GHEDMP C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1ccc(-n3cc[nH+]c3C)cc1)C2 ZINC001138544475 1024988733 /nfs/dbraw/zinc/98/87/33/1024988733.db2.gz JGTHGRQPTCKWBM-HSZRJFAPSA-N 2 1 378.520 3.714 20 30 GHEDMP C=CCN1C(=O)CCC[C@]12CCC[N@H+](Cc1ccc(-n3cc[nH+]c3C)cc1)C2 ZINC001138544475 1024988740 /nfs/dbraw/zinc/98/87/40/1024988740.db2.gz JGTHGRQPTCKWBM-HSZRJFAPSA-N 2 1 378.520 3.714 20 30 GHEDMP C=C(C)COc1ccccc1CN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001138661424 1025181043 /nfs/dbraw/zinc/18/10/43/1025181043.db2.gz XDOBXSOJLMUYME-VWNXMTODSA-N 2 1 384.564 3.822 20 30 GHEDMP C=C(C)COc1ccccc1C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001138661424 1025181047 /nfs/dbraw/zinc/18/10/47/1025181047.db2.gz XDOBXSOJLMUYME-VWNXMTODSA-N 2 1 384.564 3.822 20 30 GHEDMP C=C(C)COc1ccccc1C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001138661424 1025181049 /nfs/dbraw/zinc/18/10/49/1025181049.db2.gz XDOBXSOJLMUYME-VWNXMTODSA-N 2 1 384.564 3.822 20 30 GHEDMP C=C(C)COc1ccccc1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COC)C1 ZINC001138661424 1025181056 /nfs/dbraw/zinc/18/10/56/1025181056.db2.gz XDOBXSOJLMUYME-VWNXMTODSA-N 2 1 384.564 3.822 20 30 GHEDMP C=C(C)COc1ccccc1C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COC)C1 ZINC001138661424 1025181062 /nfs/dbraw/zinc/18/10/62/1025181062.db2.gz XDOBXSOJLMUYME-VWNXMTODSA-N 2 1 384.564 3.822 20 30 GHEDMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000840873944 1027911265 /nfs/dbraw/zinc/91/12/65/1027911265.db2.gz DYECQNTYJDGBFG-ZFJSRUIDSA-N 2 1 393.531 3.777 20 30 GHEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001207291533 1034244409 /nfs/dbraw/zinc/24/44/09/1034244409.db2.gz RLQJAMBGEMKWEC-ZEQRLZLVSA-N 2 1 384.564 3.725 20 30 GHEDMP CN(CCC#N)c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001231821171 1034929108 /nfs/dbraw/zinc/92/91/08/1034929108.db2.gz ROXIJPYCUKIECD-RPWUZVMVSA-N 2 1 388.559 3.990 20 30 GHEDMP CN(CCC#N)c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001231821171 1034929111 /nfs/dbraw/zinc/92/91/11/1034929111.db2.gz ROXIJPYCUKIECD-RPWUZVMVSA-N 2 1 388.559 3.990 20 30 GHEDMP CN(CCC#N)c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001231821171 1034929117 /nfs/dbraw/zinc/92/91/17/1034929117.db2.gz ROXIJPYCUKIECD-RPWUZVMVSA-N 2 1 388.559 3.990 20 30 GHEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](C[C@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208936619 1035103524 /nfs/dbraw/zinc/10/35/24/1035103524.db2.gz ODCBWZBJDNKLSO-ISJGIBHGSA-N 2 1 398.591 3.972 20 30 GHEDMP C=CCOC[C@]12CCCO[C@@H]1CC[NH+](C[C@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001208936619 1035103529 /nfs/dbraw/zinc/10/35/29/1035103529.db2.gz ODCBWZBJDNKLSO-ISJGIBHGSA-N 2 1 398.591 3.972 20 30 GHEDMP C=CCOC[C@]12CCCO[C@@H]1CC[NH+](C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208936619 1035103536 /nfs/dbraw/zinc/10/35/36/1035103536.db2.gz ODCBWZBJDNKLSO-ISJGIBHGSA-N 2 1 398.591 3.972 20 30 GHEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](C[C@@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208938104 1035104902 /nfs/dbraw/zinc/10/49/02/1035104902.db2.gz UVSBOAPMPWHGDX-NOZRDPDXSA-N 2 1 395.591 3.932 20 30 GHEDMP C=CCN1C(=O)CCC[C@@]12CCC[NH+](C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001208938104 1035104906 /nfs/dbraw/zinc/10/49/06/1035104906.db2.gz UVSBOAPMPWHGDX-NOZRDPDXSA-N 2 1 395.591 3.932 20 30 GHEDMP C=CCN1C(=O)CCC[C@@]12CCC[NH+](C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208938104 1035104911 /nfs/dbraw/zinc/10/49/11/1035104911.db2.gz UVSBOAPMPWHGDX-NOZRDPDXSA-N 2 1 395.591 3.932 20 30 GHEDMP C=CCCCCCCCC[N@@H+]1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001209444593 1035275642 /nfs/dbraw/zinc/27/56/42/1035275642.db2.gz VJPZXIMSGCGRHC-UHFFFAOYSA-N 2 1 385.600 3.546 20 30 GHEDMP C=CCCCCCCCC[N@H+]1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001209444593 1035275647 /nfs/dbraw/zinc/27/56/47/1035275647.db2.gz VJPZXIMSGCGRHC-UHFFFAOYSA-N 2 1 385.600 3.546 20 30 GHEDMP C=CCOC(=O)N1CCC2(CCC[N@H+]([C@@H]3CC[NH2+][C@H](C(C)(C)C)C3)C2)CC1 ZINC001246523297 1037454577 /nfs/dbraw/zinc/45/45/77/1037454577.db2.gz AIMSSGXBOJWSCB-MOPGFXCFSA-N 2 1 377.573 3.654 20 30 GHEDMP C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@@H]3CC[NH2+][C@H](c4ccccc4)C3)C2)CC1 ZINC001246527797 1037460641 /nfs/dbraw/zinc/46/06/41/1037460641.db2.gz WQEZOBIXJTXNKX-YADHBBJMSA-N 2 1 397.563 3.980 20 30 GHEDMP C=CCOC(=O)N1CCC2(CCC[N@H+]([C@@H]3CC[NH2+][C@H](c4ccccc4)C3)C2)CC1 ZINC001246527797 1037460663 /nfs/dbraw/zinc/46/06/63/1037460663.db2.gz WQEZOBIXJTXNKX-YADHBBJMSA-N 2 1 397.563 3.980 20 30 GHEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H]1CC[NH2+][C@@H](Cc3ccccc3)C1)[C@H]2CC ZINC001246703038 1037556038 /nfs/dbraw/zinc/55/60/38/1037556038.db2.gz HPLXBNSQGGEXKK-LCXINAFSSA-N 2 1 395.591 3.771 20 30 GHEDMP C=CCCCCCC[C@@H](O)C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001253237876 1039494999 /nfs/dbraw/zinc/49/49/99/1039494999.db2.gz NZPFMOTWZGDSQH-ZRBLBEILSA-N 2 1 378.601 3.554 20 30 GHEDMP C=CCCCCCC[C@@H](O)C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COC)C1 ZINC001253237876 1039495003 /nfs/dbraw/zinc/49/50/03/1039495003.db2.gz NZPFMOTWZGDSQH-ZRBLBEILSA-N 2 1 378.601 3.554 20 30 GHEDMP C=CCCCCCC[C@@H](O)C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COC)C1 ZINC001253237876 1039495010 /nfs/dbraw/zinc/49/50/10/1039495010.db2.gz NZPFMOTWZGDSQH-ZRBLBEILSA-N 2 1 378.601 3.554 20 30 GHEDMP N#Cc1ccc(Oc2ccc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)cn2)cc1 ZINC001235426408 1040927696 /nfs/dbraw/zinc/92/76/96/1040927696.db2.gz KUERMKCCFIFJNM-NHCUHLMSSA-N 2 1 376.504 3.957 20 30 GHEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@@H]1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001255404428 1040992223 /nfs/dbraw/zinc/99/22/23/1040992223.db2.gz SNDHNGMAECYJBU-SGNDLWITSA-N 2 1 384.564 3.867 20 30 GHEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[NH+]([C@@H]1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC001255404428 1040992226 /nfs/dbraw/zinc/99/22/26/1040992226.db2.gz SNDHNGMAECYJBU-SGNDLWITSA-N 2 1 384.564 3.867 20 30 GHEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[NH+]([C@@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255404428 1040992231 /nfs/dbraw/zinc/99/22/31/1040992231.db2.gz SNDHNGMAECYJBU-SGNDLWITSA-N 2 1 384.564 3.867 20 30 GHEDMP C=CCOc1ccc(C[N@@H+]2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)cc1 ZINC001235647253 1041087386 /nfs/dbraw/zinc/08/73/86/1041087386.db2.gz ZQYNMDAFAMQXNB-UHFFFAOYSA-N 2 1 380.536 3.886 20 30 GHEDMP C=CCOc1ccc(C[N@H+]2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)cc1 ZINC001235647253 1041087406 /nfs/dbraw/zinc/08/74/06/1041087406.db2.gz ZQYNMDAFAMQXNB-UHFFFAOYSA-N 2 1 380.536 3.886 20 30 GHEDMP C=CCOC[C@H]1c2c(ncn2C)CCN1Cc1ccc2c(c1)C(C(C)C)=NCC2 ZINC001237884061 1042409302 /nfs/dbraw/zinc/40/93/02/1042409302.db2.gz YRDBOJRGSIVZCE-QFIPXVFZSA-N 2 1 392.547 3.723 20 30 GHEDMP C[C@@H]1C[C@@H](CC[NH2+]CCC(=O)Nc2cccc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC001261436924 1045998835 /nfs/dbraw/zinc/99/88/35/1045998835.db2.gz OWLUYJHSEHFHPQ-DENIHFKCSA-N 2 1 390.531 3.777 20 30 GHEDMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001308487596 1049987458 /nfs/dbraw/zinc/98/74/58/1049987458.db2.gz CWGXVNPZLLJORZ-CVDCTZTESA-N 2 1 399.542 3.816 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+][C@@H](C[NH3+])C2CCCC2)cc1OC ZINC000415034133 839096359 /nfs/dbraw/zinc/09/63/59/839096359.db2.gz CGAYRFOUXPWCOA-INIZCTEOSA-N 2 1 383.330 3.630 20 30 GHEDMP C=C(C)C[NH+]1CCC(NC(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000509727156 840118532 /nfs/dbraw/zinc/11/85/32/840118532.db2.gz DFJGHUILOKOYPR-RBBKRZOGSA-N 2 1 398.595 3.627 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1OC ZINC000623654826 861298550 /nfs/dbraw/zinc/29/85/50/861298550.db2.gz JZRHACHUMUPGEK-OAHLLOKOSA-N 2 1 397.357 3.844 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1OC ZINC000623654826 861298561 /nfs/dbraw/zinc/29/85/61/861298561.db2.gz JZRHACHUMUPGEK-OAHLLOKOSA-N 2 1 397.357 3.844 20 30 GHEDMP CCc1nc(C[NH+]2CCC(CNC(=[NH2+])Nc3cc(C)cc(C)c3)CC2)cs1 ZINC000178572503 843373595 /nfs/dbraw/zinc/37/35/95/843373595.db2.gz BOCQMEMCKRIGOQ-UHFFFAOYSA-N 2 1 385.581 3.961 20 30 GHEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433124282 845452698 /nfs/dbraw/zinc/45/26/98/845452698.db2.gz AYTFGKVNJGHYGI-NRFANRHFSA-N 2 1 381.564 3.564 20 30 GHEDMP C=CCOc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000124603739 845682337 /nfs/dbraw/zinc/68/23/37/845682337.db2.gz RATYFCHJENFVGZ-GOTSBHOMSA-N 2 1 399.579 3.661 20 30 GHEDMP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000330047587 862531500 /nfs/dbraw/zinc/53/15/00/862531500.db2.gz HUKVBUICGLLHMS-APWZRJJASA-N 2 1 389.588 3.990 20 30 GHEDMP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000330047587 862531504 /nfs/dbraw/zinc/53/15/04/862531504.db2.gz HUKVBUICGLLHMS-APWZRJJASA-N 2 1 389.588 3.990 20 30 GHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000106245356 866394956 /nfs/dbraw/zinc/39/49/56/866394956.db2.gz ZHDFFHYXLPDGFS-UHFFFAOYSA-N 2 1 395.341 3.741 20 30 GHEDMP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@@H+](CC)[C@H](C)C(C)C)c1=S ZINC000742549970 867366273 /nfs/dbraw/zinc/36/62/73/867366273.db2.gz ITSULXBYTWKXLQ-GOSISDBHSA-N 2 1 379.618 3.952 20 30 GHEDMP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@H+](CC)[C@H](C)C(C)C)c1=S ZINC000742549970 867366292 /nfs/dbraw/zinc/36/62/92/867366292.db2.gz ITSULXBYTWKXLQ-GOSISDBHSA-N 2 1 379.618 3.952 20 30 GHEDMP COc1ccc(NC(=[NH2+])NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1OC ZINC000304794415 878733131 /nfs/dbraw/zinc/73/31/31/878733131.db2.gz LYHKBRHCOIAEBN-IFXJQAMLSA-N 2 1 388.537 3.575 20 30 GHEDMP C#CCCOc1ccc(C[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000113318375 880503255 /nfs/dbraw/zinc/50/32/55/880503255.db2.gz UOSDTSUUUAKBSG-OYRHEFFESA-N 2 1 392.543 3.988 20 30 GHEDMP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214818 883669241 /nfs/dbraw/zinc/66/92/41/883669241.db2.gz OZDJPGBLFCAPMS-HNNXBMFYSA-N 2 1 384.911 3.732 20 30 GHEDMP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214818 883669255 /nfs/dbraw/zinc/66/92/55/883669255.db2.gz OZDJPGBLFCAPMS-HNNXBMFYSA-N 2 1 384.911 3.732 20 30 GHEDMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccccn2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000262544889 892295859 /nfs/dbraw/zinc/29/58/59/892295859.db2.gz UOUJREQZNZZKOS-MAUKXSAKSA-N 2 1 391.441 3.910 20 30 GHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CCCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000823790331 899262753 /nfs/dbraw/zinc/26/27/53/899262753.db2.gz YFAZJJOMDCWRAQ-IBGZPJMESA-N 2 1 397.563 3.862 20 30 GHEDMP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+]([C@@H](C)CCCC#N)CC2 ZINC001172497159 905599742 /nfs/dbraw/zinc/59/97/42/905599742.db2.gz YYTKWZGJVVTLCV-ROUUACIJSA-N 2 1 376.570 3.528 20 30 GHEDMP COc1ccc(NC(=[NH2+])NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1OC ZINC000303896206 915301207 /nfs/dbraw/zinc/30/12/07/915301207.db2.gz PVAYZZBPVNELBC-QGZVFWFLSA-N 2 1 396.535 3.863 20 30 GHEDMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=[NH2+])Nc3cccc4c3CCCC4)c2)CCO1 ZINC000304635386 915564103 /nfs/dbraw/zinc/56/41/03/915564103.db2.gz AUITZROJYNVYEA-GOSISDBHSA-N 2 1 392.547 3.713 20 30 GHEDMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=[NH2+])Nc3cccc4c3CCCC4)c2)CCO1 ZINC000304635386 915564112 /nfs/dbraw/zinc/56/41/12/915564112.db2.gz AUITZROJYNVYEA-GOSISDBHSA-N 2 1 392.547 3.713 20 30 GHEDMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000558016153 931803158 /nfs/dbraw/zinc/80/31/58/931803158.db2.gz ZOMXJZLLGMHSDZ-SFHVURJKSA-N 2 1 380.511 3.686 20 30 GHEDMP N#Cc1cnc(Cl)cc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001155357748 1032516294 /nfs/dbraw/zinc/51/62/94/1032516294.db2.gz JMFXHQLDKGAZOJ-LJQANCHMSA-N 2 1 395.938 3.520 20 30 GHEDMP C#CCOc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001138559446 1025021640 /nfs/dbraw/zinc/02/16/40/1025021640.db2.gz VCODACFEQNAKIB-GVXSCFBNSA-N 2 1 389.543 3.826 20 30 GHEDMP C#CCOc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001138559446 1025021648 /nfs/dbraw/zinc/02/16/48/1025021648.db2.gz VCODACFEQNAKIB-GVXSCFBNSA-N 2 1 389.543 3.826 20 30 GHEDMP C#CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001138559446 1025021660 /nfs/dbraw/zinc/02/16/60/1025021660.db2.gz VCODACFEQNAKIB-GVXSCFBNSA-N 2 1 389.543 3.826 20 30 GHEDMP C#CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001138559446 1025021672 /nfs/dbraw/zinc/02/16/72/1025021672.db2.gz VCODACFEQNAKIB-GVXSCFBNSA-N 2 1 389.543 3.826 20 30 GHEDMP N#Cc1ccc(F)c(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)c1 ZINC001139649084 1026511362 /nfs/dbraw/zinc/51/13/62/1026511362.db2.gz MUFGCIFMIPLGSU-UHFFFAOYSA-N 2 1 379.479 3.564 20 30 GHEDMP N#Cc1ccc(F)c(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c1 ZINC001139649084 1026511368 /nfs/dbraw/zinc/51/13/68/1026511368.db2.gz MUFGCIFMIPLGSU-UHFFFAOYSA-N 2 1 379.479 3.564 20 30 GHEDMP N#Cc1ccc2c(C[NH+]3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c[nH]c2c1 ZINC001142929213 1029711012 /nfs/dbraw/zinc/71/10/12/1029711012.db2.gz ZYNDXMBLWNZRBI-UHFFFAOYSA-N 2 1 385.515 3.923 20 30 GHEDMP C=CCOc1c(Br)cc(C[N@@H+](C)C2CCC([NH3+])CC2)cc1OC ZINC000843056599 1029790833 /nfs/dbraw/zinc/79/08/33/1029790833.db2.gz RTJRPWBNCSDSGB-UHFFFAOYSA-N 2 1 383.330 3.724 20 30 GHEDMP N#Cc1ccc(C[N@@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c(O)c1 ZINC001222590790 1030215647 /nfs/dbraw/zinc/21/56/47/1030215647.db2.gz NGLUZJNJCLSEKI-QFIPXVFZSA-N 2 1 391.515 3.567 20 30 GHEDMP N#Cc1ccc(C[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c(O)c1 ZINC001222590790 1030215664 /nfs/dbraw/zinc/21/56/64/1030215664.db2.gz NGLUZJNJCLSEKI-QFIPXVFZSA-N 2 1 391.515 3.567 20 30 GHEDMP COc1cc(C#N)ccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001231620504 1034777601 /nfs/dbraw/zinc/77/76/01/1034777601.db2.gz CJZRPXCRLAHEOD-FGZHOGPDSA-N 2 1 375.516 3.911 20 30 GHEDMP C=CCN1C(=O)CCC[C@]12CCC[N@@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208942405 1035111226 /nfs/dbraw/zinc/11/12/26/1035111226.db2.gz QCHSPKKUTJKEOD-LADGPHEKSA-N 2 1 381.564 3.542 20 30 GHEDMP C=CCN1C(=O)CCC[C@]12CCC[NH+](C[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208942405 1035111229 /nfs/dbraw/zinc/11/12/29/1035111229.db2.gz QCHSPKKUTJKEOD-LADGPHEKSA-N 2 1 381.564 3.542 20 30 GHEDMP C=CCN1C(=O)CCC[C@]12CCC[NH+](C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208942405 1035111231 /nfs/dbraw/zinc/11/12/31/1035111231.db2.gz QCHSPKKUTJKEOD-LADGPHEKSA-N 2 1 381.564 3.542 20 30 GHEDMP C=CCCCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001209441108 1035275101 /nfs/dbraw/zinc/27/51/01/1035275101.db2.gz HKIOMOWYXNTTCD-FGZHOGPDSA-N 2 1 375.601 3.920 20 30 GHEDMP CCCCCCCCCCCCOCCOC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001246032156 1037150298 /nfs/dbraw/zinc/15/02/98/1037150298.db2.gz KDVFBXJZEUOBEI-GPJHCHHRSA-N 2 1 398.632 3.723 20 30 GHEDMP C=CCOC(=O)N1CCC2(CC1)CC[NH+](C1C[C@H](CC)[NH2+][C@@H](CC)C1)CC2 ZINC001246526545 1037458179 /nfs/dbraw/zinc/45/81/79/1037458179.db2.gz PADNLEZWHDEEEN-OALUTQOASA-N 2 1 377.573 3.796 20 30 GHEDMP N#Cc1ccccc1O[C@@H]1CCC[N@@H+]([C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C1 ZINC001246844274 1037671518 /nfs/dbraw/zinc/67/15/18/1037671518.db2.gz LMAZNLGGIJNFGO-XPWALMASSA-N 2 1 375.516 3.765 20 30 GHEDMP N#Cc1ccccc1O[C@@H]1CCC[N@H+]([C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C1 ZINC001246844274 1037671527 /nfs/dbraw/zinc/67/15/27/1037671527.db2.gz LMAZNLGGIJNFGO-XPWALMASSA-N 2 1 375.516 3.765 20 30 GHEDMP CC(C)(C)c1ccc(-c2noc(C3CC[NH+](C4CC[NH2+]CC4)CC3)n2)c(C#N)c1 ZINC001247909793 1038483913 /nfs/dbraw/zinc/48/39/13/1038483913.db2.gz RPRPYIRGCDKRJE-UHFFFAOYSA-N 2 1 393.535 3.837 20 30 GHEDMP C=CCN1C(=O)CCC12CC[NH+]([C@@H]1CCC[N@@H+](Cc3ccccc3)CC1)CC2 ZINC001255400150 1040986269 /nfs/dbraw/zinc/98/62/69/1040986269.db2.gz GNRZIEKSFANFDI-JOCHJYFZSA-N 2 1 381.564 3.684 20 30 GHEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H]1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001255404430 1040991716 /nfs/dbraw/zinc/99/17/16/1040991716.db2.gz SNDHNGMAECYJBU-TZRRMPRUSA-N 2 1 384.564 3.867 20 30 GHEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[NH+]([C@@H]1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC001255404430 1040991721 /nfs/dbraw/zinc/99/17/21/1040991721.db2.gz SNDHNGMAECYJBU-TZRRMPRUSA-N 2 1 384.564 3.867 20 30 GHEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[NH+]([C@@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255404430 1040991725 /nfs/dbraw/zinc/99/17/25/1040991725.db2.gz SNDHNGMAECYJBU-TZRRMPRUSA-N 2 1 384.564 3.867 20 30 GHEDMP CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255596622 1041155727 /nfs/dbraw/zinc/15/57/27/1041155727.db2.gz SKVLJQFIHYIBIG-NJDAHSKKSA-N 2 1 398.551 3.640 20 30 GHEDMP N#Cc1ccc(C[N@@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)c(Br)c1 ZINC001235975208 1041479653 /nfs/dbraw/zinc/47/96/53/1041479653.db2.gz RAQYQLMTJPXVLS-UHFFFAOYSA-N 2 1 396.332 3.958 20 30 GHEDMP N#Cc1ccc(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)c(Br)c1 ZINC001235975208 1041479657 /nfs/dbraw/zinc/47/96/57/1041479657.db2.gz RAQYQLMTJPXVLS-UHFFFAOYSA-N 2 1 396.332 3.958 20 30 GHEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc(F)c(-c3ccncc3)c2)CC1 ZINC001238557251 1042639360 /nfs/dbraw/zinc/63/93/60/1042639360.db2.gz DEXSXEXGNUHOPR-UHFFFAOYSA-N 2 1 394.538 3.679 20 30 GHEDMP CCc1cc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)ccc1C#N ZINC001238763201 1042718885 /nfs/dbraw/zinc/71/88/85/1042718885.db2.gz QAVURHOXZBGJSH-JOCHJYFZSA-N 2 1 393.531 3.969 20 30 GHEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001256605977 1043569668 /nfs/dbraw/zinc/56/96/68/1043569668.db2.gz LYLCQIFACWKCSR-BJKOFHAPSA-N 2 1 384.564 3.725 20 30 GHEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@H+](C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001256605977 1043569674 /nfs/dbraw/zinc/56/96/74/1043569674.db2.gz LYLCQIFACWKCSR-BJKOFHAPSA-N 2 1 384.564 3.725 20 30 GHEDMP Cn1cc(C[NH2+][C@@]23CC[C@@]([NH2+]Cc4cnc(Cl)s4)(C2)CCC3)cc1C#N ZINC001279277336 1047754149 /nfs/dbraw/zinc/75/41/49/1047754149.db2.gz IJLQSNDOVIKWOU-RBUKOAKNSA-N 2 1 389.956 3.731 20 30 GHEDMP COc1ccc([C@@H](CNC(=[NH+]Cc2ccccc2)N(C)C)[NH+]2CCCC2)cc1 ZINC000849054118 1057564938 /nfs/dbraw/zinc/56/49/38/1057564938.db2.gz HJEZVAVOJGXEMJ-JOCHJYFZSA-N 2 1 380.536 3.540 20 30 GHEDMP C[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC001348957534 1063442821 /nfs/dbraw/zinc/44/28/21/1063442821.db2.gz ISUNAYCTWSCIGN-NQIIRXRSSA-N 2 1 376.504 3.530 20 30 GHEDMP C[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC001348957534 1063442830 /nfs/dbraw/zinc/44/28/30/1063442830.db2.gz ISUNAYCTWSCIGN-NQIIRXRSSA-N 2 1 376.504 3.530 20 30 GHEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535681512 844300993 /nfs/dbraw/zinc/30/09/93/844300993.db2.gz PSHUDRBFGNRXLP-NRFANRHFSA-N 2 1 381.564 3.564 20 30 GHEDMP C=C(C)COc1cc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)ccc1OC ZINC000657594945 848289429 /nfs/dbraw/zinc/28/94/29/848289429.db2.gz LMGUVJSTUXAMAL-JOCHJYFZSA-N 2 1 396.531 3.507 20 30 GHEDMP N#Cc1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c(C(F)(F)F)c1 ZINC000517061960 853316462 /nfs/dbraw/zinc/31/64/62/853316462.db2.gz IBCHZIZLPFSRIS-UHFFFAOYSA-N 2 1 381.442 3.511 20 30 GHEDMP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000057847422 855763006 /nfs/dbraw/zinc/76/30/06/855763006.db2.gz PIZWPOKISFSXSY-OAHLLOKOSA-N 2 1 376.932 3.592 20 30 GHEDMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000594447544 858179936 /nfs/dbraw/zinc/17/99/36/858179936.db2.gz YJJOJKSEIZXDAY-FHWLQOOXSA-N 2 1 394.922 3.530 20 30 GHEDMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000594447544 858179938 /nfs/dbraw/zinc/17/99/38/858179938.db2.gz YJJOJKSEIZXDAY-FHWLQOOXSA-N 2 1 394.922 3.530 20 30 GHEDMP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185701912 859117625 /nfs/dbraw/zinc/11/76/25/859117625.db2.gz JFSJGMDUMNTBME-SFTDATJTSA-N 2 1 396.579 3.793 20 30 GHEDMP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185701912 859117634 /nfs/dbraw/zinc/11/76/34/859117634.db2.gz JFSJGMDUMNTBME-SFTDATJTSA-N 2 1 396.579 3.793 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000608061416 864955274 /nfs/dbraw/zinc/95/52/74/864955274.db2.gz AFSCVECIPOBIMN-DZGCQCFKSA-N 2 1 383.330 3.595 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000608061416 864955279 /nfs/dbraw/zinc/95/52/79/864955279.db2.gz AFSCVECIPOBIMN-DZGCQCFKSA-N 2 1 383.330 3.595 20 30 GHEDMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1)CC1CC1 ZINC000540049354 870260486 /nfs/dbraw/zinc/26/04/86/870260486.db2.gz KJQBHHNPJSYMCY-SFHVURJKSA-N 2 1 382.552 3.719 20 30 GHEDMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1)CC(C)C ZINC000539096218 871306749 /nfs/dbraw/zinc/30/67/49/871306749.db2.gz BODQJOPYTDYHMX-KNQAVFIVSA-N 2 1 378.605 3.509 20 30 GHEDMP CCOC(=O)N1CCC[C@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169670975 871734833 /nfs/dbraw/zinc/73/48/33/871734833.db2.gz BFOAJTPUZRPJCK-FKBYEOEOSA-N 2 1 398.551 3.641 20 30 GHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)CC1 ZINC000153018163 873103756 /nfs/dbraw/zinc/10/37/56/873103756.db2.gz MUWLUKMLLIZMNP-KRWDZBQOSA-N 2 1 377.960 3.707 20 30 GHEDMP CCC[N@H+](Cc1cc(C#N)cnc1Cl)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000876740720 893308383 /nfs/dbraw/zinc/30/83/83/893308383.db2.gz ULFXIXZAKHMXGL-UHFFFAOYSA-N 2 1 398.942 3.895 20 30 GHEDMP CCC[N@@H+](Cc1cc(C#N)cnc1Cl)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000876740720 893308401 /nfs/dbraw/zinc/30/84/01/893308401.db2.gz ULFXIXZAKHMXGL-UHFFFAOYSA-N 2 1 398.942 3.895 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000459738559 894159914 /nfs/dbraw/zinc/15/99/14/894159914.db2.gz RXXNRIZWQWSENK-HNNXBMFYSA-N 2 1 397.357 3.844 20 30 GHEDMP C#Cc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccc(OC)c2)CCO3)cc1 ZINC001144569319 902399601 /nfs/dbraw/zinc/39/96/01/902399601.db2.gz OLRDMQVRFFCIMZ-UHFFFAOYSA-N 2 1 390.527 3.544 20 30 GHEDMP C#Cc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccc(OC)c2)CCO3)cc1 ZINC001144569319 902399614 /nfs/dbraw/zinc/39/96/14/902399614.db2.gz OLRDMQVRFFCIMZ-UHFFFAOYSA-N 2 1 390.527 3.544 20 30 GHEDMP C[N@@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](C1CCC(CC#N)CC1)CC2 ZINC001173336252 906380294 /nfs/dbraw/zinc/38/02/94/906380294.db2.gz TXLYEPLXBBFZFI-VTLFHKLASA-N 2 1 382.552 3.609 20 30 GHEDMP N#Cc1ccc([C@H](O)CN2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000248008080 911590069 /nfs/dbraw/zinc/59/00/69/911590069.db2.gz KZWHCXKZPMNNET-KMDXXIMOSA-N 2 1 375.516 3.578 20 30 GHEDMP N#Cc1ccc([C@H](O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000248008080 911590083 /nfs/dbraw/zinc/59/00/83/911590083.db2.gz KZWHCXKZPMNNET-KMDXXIMOSA-N 2 1 375.516 3.578 20 30 GHEDMP N#Cc1ccc([C@H](O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000248008080 911590100 /nfs/dbraw/zinc/59/01/00/911590100.db2.gz KZWHCXKZPMNNET-KMDXXIMOSA-N 2 1 375.516 3.578 20 30 GHEDMP N#Cc1ccc([C@H](O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000248008080 911590110 /nfs/dbraw/zinc/59/01/10/911590110.db2.gz KZWHCXKZPMNNET-KMDXXIMOSA-N 2 1 375.516 3.578 20 30 GHEDMP N#Cc1ccc([C@H](O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000248008080 911590117 /nfs/dbraw/zinc/59/01/17/911590117.db2.gz KZWHCXKZPMNNET-KMDXXIMOSA-N 2 1 375.516 3.578 20 30 GHEDMP COc1ccc(NC(=[NH2+])NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)cc1 ZINC000303788730 915129241 /nfs/dbraw/zinc/12/92/41/915129241.db2.gz UONQGRSOVCUDHU-OAQYLSRUSA-N 2 1 382.508 3.658 20 30 GHEDMP CC[N@@H+](C)Cc1cccc(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000303873094 915231363 /nfs/dbraw/zinc/23/13/63/915231363.db2.gz GPBCBEGRHBLHOS-UHFFFAOYSA-N 2 1 380.414 3.964 20 30 GHEDMP CC(C)Oc1ccc(NC(=[NH2+])NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000303903537 915305608 /nfs/dbraw/zinc/30/56/08/915305608.db2.gz YLPDUFMJYRFNQJ-GOSISDBHSA-N 2 1 396.535 3.621 20 30 GHEDMP CC(C)Oc1ccc(NC(=[NH2+])NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000303903537 915305631 /nfs/dbraw/zinc/30/56/31/915305631.db2.gz YLPDUFMJYRFNQJ-GOSISDBHSA-N 2 1 396.535 3.621 20 30 GHEDMP Cc1cc(C)cc(NC(=[NH2+])NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000303908589 915307218 /nfs/dbraw/zinc/30/72/18/915307218.db2.gz XQIOJOVXNQOOFQ-KDURUIRLSA-N 2 1 380.536 3.839 20 30 GHEDMP C[N@H+]1CCC[C@H](CNC(=[NH2+])NCC2CCC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000304764530 915700770 /nfs/dbraw/zinc/70/07/70/915700770.db2.gz YCEURCSWMFIORJ-AEFFLSMTSA-N 2 1 382.474 3.793 20 30 GHEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc(-c3ccccn3)s2)CC1 ZINC001141006779 1023177916 /nfs/dbraw/zinc/17/79/16/1023177916.db2.gz JUDATWRBNHVHPS-UHFFFAOYSA-N 2 1 382.577 3.602 20 30 GHEDMP Cc1cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)ccc1CC#N ZINC001162940679 1025977739 /nfs/dbraw/zinc/97/77/39/1025977739.db2.gz KFOUYRCTBAHVCF-QHCPKHFHSA-N 2 1 388.559 3.975 20 30 GHEDMP CCC[NH+](CCC)CCCN1CC[NH+](Cc2c[nH]c3c2cccc3C#N)CC1 ZINC001139707087 1026552137 /nfs/dbraw/zinc/55/21/37/1026552137.db2.gz PEWZWGFHMLGBHI-UHFFFAOYSA-N 2 1 381.568 3.669 20 30 GHEDMP Cc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)cc1C#N ZINC001139725301 1026568675 /nfs/dbraw/zinc/56/86/75/1026568675.db2.gz KHVJANAYJHOCSE-DQEYMECFSA-N 2 1 393.575 3.827 20 30 GHEDMP Cc1ccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)cc1C#N ZINC001139725301 1026568680 /nfs/dbraw/zinc/56/86/80/1026568680.db2.gz KHVJANAYJHOCSE-DQEYMECFSA-N 2 1 393.575 3.827 20 30 GHEDMP Cc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)cc1C#N ZINC001139725301 1026568683 /nfs/dbraw/zinc/56/86/83/1026568683.db2.gz KHVJANAYJHOCSE-DQEYMECFSA-N 2 1 393.575 3.827 20 30 GHEDMP Cc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)cc1C#N ZINC001139725301 1026568687 /nfs/dbraw/zinc/56/86/87/1026568687.db2.gz KHVJANAYJHOCSE-DQEYMECFSA-N 2 1 393.575 3.827 20 30 GHEDMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc(C#N)c1)CC2 ZINC001203757540 1027579936 /nfs/dbraw/zinc/57/99/36/1027579936.db2.gz LYZSKCXGMODWHX-FQEVSTJZSA-N 2 1 381.545 3.875 20 30 GHEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC001211221089 1027842838 /nfs/dbraw/zinc/84/28/38/1027842838.db2.gz AKQGGQQLCFCMAB-FYYLOGMGSA-N 2 1 398.595 3.601 20 30 GHEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC001211221089 1027842845 /nfs/dbraw/zinc/84/28/45/1027842845.db2.gz AKQGGQQLCFCMAB-FYYLOGMGSA-N 2 1 398.595 3.601 20 30 GHEDMP C#CCOc1ccc(Br)cc1C[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC001461424494 1069543661 /nfs/dbraw/zinc/54/36/61/1069543661.db2.gz PWOAFJJIEWJFLY-UHFFFAOYSA-N 2 1 379.342 3.673 20 30 GHEDMP COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222542825 1030189171 /nfs/dbraw/zinc/18/91/71/1030189171.db2.gz KKYJOSOHNBWNGN-UHFFFAOYSA-N 2 1 388.327 3.996 20 30 GHEDMP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1ccc(C(C)(C)C#N)cc1 ZINC001205741180 1033554858 /nfs/dbraw/zinc/55/48/58/1033554858.db2.gz UXCXYPXTCYVUGK-UHFFFAOYSA-N 2 1 390.575 3.737 20 30 GHEDMP C=CCN1C(=O)CCC12CC[NH+](C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208933689 1035098113 /nfs/dbraw/zinc/09/81/13/1035098113.db2.gz FMGDJLDOCWTEPW-QFIPXVFZSA-N 2 1 381.564 3.542 20 30 GHEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)CC2 ZINC001208947533 1035117015 /nfs/dbraw/zinc/11/70/15/1035117015.db2.gz UCENMZLPVBLTIR-UPVQGACJSA-N 2 1 381.564 3.542 20 30 GHEDMP C=CCN1C(=O)CC[C@]12CCC[NH+](C[C@@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208947533 1035117025 /nfs/dbraw/zinc/11/70/25/1035117025.db2.gz UCENMZLPVBLTIR-UPVQGACJSA-N 2 1 381.564 3.542 20 30 GHEDMP C=CCN1C(=O)CC[C@]12CCC[NH+](C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208947533 1035117033 /nfs/dbraw/zinc/11/70/33/1035117033.db2.gz UCENMZLPVBLTIR-UPVQGACJSA-N 2 1 381.564 3.542 20 30 GHEDMP C=CCOC[C@H]1CCC[C@@]12C[N@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)CCO2 ZINC001208952411 1035125735 /nfs/dbraw/zinc/12/57/35/1035125735.db2.gz SBZILGPEOIFVRX-RBZQAINGSA-N 2 1 384.564 3.582 20 30 GHEDMP C=CCOC[C@H]1CCC[C@@]12C[N@@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)CCO2 ZINC001208952411 1035125737 /nfs/dbraw/zinc/12/57/37/1035125737.db2.gz SBZILGPEOIFVRX-RBZQAINGSA-N 2 1 384.564 3.582 20 30 GHEDMP C=CCOC[C@H]1CCC[C@@]12C[NH+](C[C@H]1CC[N@H+](Cc3ccccc3)C1)CCO2 ZINC001208952411 1035125740 /nfs/dbraw/zinc/12/57/40/1035125740.db2.gz SBZILGPEOIFVRX-RBZQAINGSA-N 2 1 384.564 3.582 20 30 GHEDMP C=CCOC[C@H]1CCC[C@@]12C[NH+](C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CCO2 ZINC001208952411 1035125743 /nfs/dbraw/zinc/12/57/43/1035125743.db2.gz SBZILGPEOIFVRX-RBZQAINGSA-N 2 1 384.564 3.582 20 30 GHEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H](C)CC(C)(C)SCc1ccco1 ZINC001246306603 1037287206 /nfs/dbraw/zinc/28/72/06/1037287206.db2.gz XCZLEROMHHXEFX-AEFFLSMTSA-N 2 1 382.570 3.886 20 30 GHEDMP C=CCN1CC[C@@]2(CCCN([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)C1=O ZINC001255141993 1040850561 /nfs/dbraw/zinc/85/05/61/1040850561.db2.gz PAQFJLOCJNZKSU-KNAFXUBQSA-N 2 1 393.575 3.683 20 30 GHEDMP C=CCN1CC[C@@]2(CCC[N@@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)C1=O ZINC001255141993 1040850569 /nfs/dbraw/zinc/85/05/69/1040850569.db2.gz PAQFJLOCJNZKSU-KNAFXUBQSA-N 2 1 393.575 3.683 20 30 GHEDMP C=CCN1CC[C@@]2(CCC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)C1=O ZINC001255141993 1040850590 /nfs/dbraw/zinc/85/05/90/1040850590.db2.gz PAQFJLOCJNZKSU-KNAFXUBQSA-N 2 1 393.575 3.683 20 30 GHEDMP C=CCN1CC[C@@]2(CCC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)C1=O ZINC001255141993 1040850609 /nfs/dbraw/zinc/85/06/09/1040850609.db2.gz PAQFJLOCJNZKSU-KNAFXUBQSA-N 2 1 393.575 3.683 20 30 GHEDMP C=CCN1CC[C@@]2(CCC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)C1=O ZINC001255141993 1040850622 /nfs/dbraw/zinc/85/06/22/1040850622.db2.gz PAQFJLOCJNZKSU-KNAFXUBQSA-N 2 1 393.575 3.683 20 30 GHEDMP C=CCN1CC[C@]2(CCCN([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)C1=O ZINC001255141991 1040850922 /nfs/dbraw/zinc/85/09/22/1040850922.db2.gz PAQFJLOCJNZKSU-KBOSCXGNSA-N 2 1 393.575 3.683 20 30 GHEDMP C=CCN1CC[C@]2(CCC[N@@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)C1=O ZINC001255141991 1040850941 /nfs/dbraw/zinc/85/09/41/1040850941.db2.gz PAQFJLOCJNZKSU-KBOSCXGNSA-N 2 1 393.575 3.683 20 30 GHEDMP C=CCN1CC[C@]2(CCC[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)C1=O ZINC001255141991 1040850961 /nfs/dbraw/zinc/85/09/61/1040850961.db2.gz PAQFJLOCJNZKSU-KBOSCXGNSA-N 2 1 393.575 3.683 20 30 GHEDMP C=CCN1CC[C@]2(CCC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)C1=O ZINC001255141991 1040850976 /nfs/dbraw/zinc/85/09/76/1040850976.db2.gz PAQFJLOCJNZKSU-KBOSCXGNSA-N 2 1 393.575 3.683 20 30 GHEDMP C=CCN1CC[C@]2(CCC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)C1=O ZINC001255141991 1040850989 /nfs/dbraw/zinc/85/09/89/1040850989.db2.gz PAQFJLOCJNZKSU-KBOSCXGNSA-N 2 1 393.575 3.683 20 30 GHEDMP CCOC(=O)[C@@H]1CCC[C@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255351281 1040956287 /nfs/dbraw/zinc/95/62/87/1040956287.db2.gz WYPHSZHBCIIQIW-YSFYHYPLSA-N 2 1 383.536 3.752 20 30 GHEDMP C=CCOc1ccc(C[N@@H+](Cc2cccc(C(=O)OC)c2)C2CC[NH2+]CC2)cc1 ZINC001236464295 1041725800 /nfs/dbraw/zinc/72/58/00/1041725800.db2.gz DKGBYZNPBSDKJB-UHFFFAOYSA-N 2 1 394.515 3.792 20 30 GHEDMP C=CCOc1ccc(C[N@H+](Cc2cccc(C(=O)OC)c2)C2CC[NH2+]CC2)cc1 ZINC001236464295 1041725808 /nfs/dbraw/zinc/72/58/08/1041725808.db2.gz DKGBYZNPBSDKJB-UHFFFAOYSA-N 2 1 394.515 3.792 20 30 GHEDMP C=CCN1C(=O)CCC[C@]12CCC[N@@H+](C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258142743 1044428952 /nfs/dbraw/zinc/42/89/52/1044428952.db2.gz KIVOBYKQILKDBN-RUZDIDTESA-N 2 1 395.591 3.727 20 30 GHEDMP C=CCN1C(=O)CCC[C@]12CCC[N@H+](C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258142743 1044428959 /nfs/dbraw/zinc/42/89/59/1044428959.db2.gz KIVOBYKQILKDBN-RUZDIDTESA-N 2 1 395.591 3.727 20 30 GHEDMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3c(C)cc(C#N)cc3C)C2)ccn1 ZINC001473668322 1074076519 /nfs/dbraw/zinc/07/65/19/1074076519.db2.gz ZBZJKFVTNVXPGV-QFIPXVFZSA-N 2 1 378.520 3.675 20 30 GHEDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3c(C)cc(C#N)cc3C)C2)ccn1 ZINC001473668322 1074076530 /nfs/dbraw/zinc/07/65/30/1074076530.db2.gz ZBZJKFVTNVXPGV-QFIPXVFZSA-N 2 1 378.520 3.675 20 30 GHEDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3c(C)cc(C#N)cc3C)C2)ccn1 ZINC001473668322 1074076537 /nfs/dbraw/zinc/07/65/37/1074076537.db2.gz ZBZJKFVTNVXPGV-QFIPXVFZSA-N 2 1 378.520 3.675 20 30 GHEDMP Cc1[nH+]c(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)ccc1CC#N ZINC001164795026 721501342 /nfs/dbraw/zinc/50/13/42/721501342.db2.gz ATCUNWUVLLHFKB-UHFFFAOYSA-N 2 1 375.520 3.732 20 30 GHEDMP Cc1[nH+]c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)ccc1CC#N ZINC001164795026 721501344 /nfs/dbraw/zinc/50/13/44/721501344.db2.gz ATCUNWUVLLHFKB-UHFFFAOYSA-N 2 1 375.520 3.732 20 30 GHEDMP Cn1cc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180139441 836326984 /nfs/dbraw/zinc/32/69/84/836326984.db2.gz PKWCQERINILBME-QFIPXVFZSA-N 2 1 399.542 3.913 20 30 GHEDMP Cn1cc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180139441 836326996 /nfs/dbraw/zinc/32/69/96/836326996.db2.gz PKWCQERINILBME-QFIPXVFZSA-N 2 1 399.542 3.913 20 30 GHEDMP Cn1cc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180139441 836327007 /nfs/dbraw/zinc/32/70/07/836327007.db2.gz PKWCQERINILBME-QFIPXVFZSA-N 2 1 399.542 3.913 20 30 GHEDMP Cn1cc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180139441 836327017 /nfs/dbraw/zinc/32/70/17/836327017.db2.gz PKWCQERINILBME-QFIPXVFZSA-N 2 1 399.542 3.913 20 30 GHEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](CCCC#N)c3ccccc3)CC2)CC1 ZINC000570294121 836656050 /nfs/dbraw/zinc/65/60/50/836656050.db2.gz YVOXMRSYPGHUCM-QHCPKHFHSA-N 2 1 396.579 3.734 20 30 GHEDMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(C#N)cc1F ZINC000512647698 844876457 /nfs/dbraw/zinc/87/64/57/844876457.db2.gz JFOQDPAQLXTWEI-MBSDFSHPSA-N 2 1 380.511 3.727 20 30 GHEDMP C=CCCn1cc(C[NH2+]Cc2ccccc2-c2ccc(C[NH+](C)C)cc2)nn1 ZINC000657303384 845893939 /nfs/dbraw/zinc/89/39/39/845893939.db2.gz NSGTWTKJJAJIGL-UHFFFAOYSA-N 2 1 375.520 3.873 20 30 GHEDMP N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CC[NH2+][C@H](c4ccccc4)C3)C2)c(F)c1 ZINC000515634421 851276392 /nfs/dbraw/zinc/27/63/92/851276392.db2.gz LKQCMJIGKJHAMQ-ONTIZHBOSA-N 2 1 378.495 3.749 20 30 GHEDMP C=CCCn1cc(C[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000664836475 851837020 /nfs/dbraw/zinc/83/70/20/851837020.db2.gz KNACKHGKSIULEM-HSZRJFAPSA-N 2 1 393.579 3.977 20 30 GHEDMP C=CCCn1cc(C[N@@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000664836475 851837025 /nfs/dbraw/zinc/83/70/25/851837025.db2.gz KNACKHGKSIULEM-HSZRJFAPSA-N 2 1 393.579 3.977 20 30 GHEDMP CC(C)[NH2+]CCCC[C@H]([NH3+])c1nc(-c2ccc(Br)cc2C#N)no1 ZINC001212142167 851900140 /nfs/dbraw/zinc/90/01/40/851900140.db2.gz DPDMTJUKOPLVID-HNNXBMFYSA-N 2 1 392.301 3.539 20 30 GHEDMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)C[C@H](C)O1 ZINC000439461621 853692251 /nfs/dbraw/zinc/69/22/51/853692251.db2.gz LMJVPMVRYHVGDT-CALCHBBNSA-N 2 1 375.944 3.923 20 30 GHEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000330090800 862567499 /nfs/dbraw/zinc/56/74/99/862567499.db2.gz POEUKKXQIPUEFY-UHFFFAOYSA-N 2 1 398.555 3.570 20 30 GHEDMP CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000303604894 856110314 /nfs/dbraw/zinc/11/03/14/856110314.db2.gz XVBDHMMFNWZJKX-UHFFFAOYSA-N 2 1 390.959 3.984 20 30 GHEDMP COc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)ccc1C#N ZINC000521945005 858477407 /nfs/dbraw/zinc/47/74/07/858477407.db2.gz ZPXMNUAEEOYRFY-XPWALMASSA-N 2 1 375.516 3.957 20 30 GHEDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000593005924 858526382 /nfs/dbraw/zinc/52/63/82/858526382.db2.gz ALYLDULDLUSKHG-UHFFFAOYSA-N 2 1 378.476 3.810 20 30 GHEDMP Cc1cc(NC2CCC([NH+](C)C)CC2)c(C#N)c(NC2CCC([NH+](C)C)CC2)[nH+]1 ZINC000596277276 858834443 /nfs/dbraw/zinc/83/44/43/858834443.db2.gz INKKDRMONAFOMB-UHFFFAOYSA-N 3 1 398.599 3.831 20 30 GHEDMP C[NH+]=C(NCc1nc(C)c(C)s1)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000262381726 863370942 /nfs/dbraw/zinc/37/09/42/863370942.db2.gz KMUPPYINQIYOFY-YJBOKZPZSA-N 2 1 391.610 3.570 20 30 GHEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898518693 864078213 /nfs/dbraw/zinc/07/82/13/864078213.db2.gz JMBIPUZHKHZWGS-LGKPFJOYSA-N 2 1 381.564 3.976 20 30 GHEDMP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000171387096 865236080 /nfs/dbraw/zinc/23/60/80/865236080.db2.gz GHLZAEAYRKQGFZ-OAQYLSRUSA-N 2 1 396.579 3.746 20 30 GHEDMP CC[NH+]=C(NCc1cc(F)ccc1SC)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262745334 881935792 /nfs/dbraw/zinc/93/57/92/881935792.db2.gz ADUZHPZACXTKDW-AYHJJNSGSA-N 2 1 378.561 3.618 20 30 GHEDMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]Cc3ccc(C#N)s3)cc2)C[C@H]1C ZINC000539554027 869356673 /nfs/dbraw/zinc/35/66/73/869356673.db2.gz NWXPXMITTWQZCI-HDICACEKSA-N 2 1 383.561 3.919 20 30 GHEDMP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000478046305 872414427 /nfs/dbraw/zinc/41/44/27/872414427.db2.gz MIOKPGSHZCQDIG-MOPGFXCFSA-N 2 1 382.552 3.862 20 30 GHEDMP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000478046305 872414439 /nfs/dbraw/zinc/41/44/39/872414439.db2.gz MIOKPGSHZCQDIG-MOPGFXCFSA-N 2 1 382.552 3.862 20 30 GHEDMP CCCCCCCCC[N@H+]1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001201846012 875900595 /nfs/dbraw/zinc/90/05/95/875900595.db2.gz CLWHARLYOVEWKZ-UHFFFAOYSA-N 2 1 391.604 3.847 20 30 GHEDMP C=C(C)C[NH+]1CCC(NC(=O)N(CC)[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000135419983 883371297 /nfs/dbraw/zinc/37/12/97/883371297.db2.gz KPTZGFQLVWVXPC-REWPJTCUSA-N 2 1 398.595 3.894 20 30 GHEDMP N#Cc1ccc([C@H](O)C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000763413192 889241025 /nfs/dbraw/zinc/24/10/25/889241025.db2.gz HSKZPTFBYHPPGJ-RPWUZVMVSA-N 2 1 375.516 3.580 20 30 GHEDMP N#Cc1ccc([C@H](O)C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000763413192 889241036 /nfs/dbraw/zinc/24/10/36/889241036.db2.gz HSKZPTFBYHPPGJ-RPWUZVMVSA-N 2 1 375.516 3.580 20 30 GHEDMP N#Cc1ccc([C@H](O)C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000763413192 889241050 /nfs/dbraw/zinc/24/10/50/889241050.db2.gz HSKZPTFBYHPPGJ-RPWUZVMVSA-N 2 1 375.516 3.580 20 30 GHEDMP N#Cc1ccc([C@H](O)C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000763413192 889241061 /nfs/dbraw/zinc/24/10/61/889241061.db2.gz HSKZPTFBYHPPGJ-RPWUZVMVSA-N 2 1 375.516 3.580 20 30 GHEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3)C(C)C ZINC001144204486 901283298 /nfs/dbraw/zinc/28/32/98/901283298.db2.gz QYXBFCDOZYTSMW-QHCPKHFHSA-N 2 1 394.563 3.584 20 30 GHEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3)C(C)C ZINC001144204486 901283306 /nfs/dbraw/zinc/28/33/06/901283306.db2.gz QYXBFCDOZYTSMW-QHCPKHFHSA-N 2 1 394.563 3.584 20 30 GHEDMP COc1ccc([C@@H](CCC#N)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000578601459 904001080 /nfs/dbraw/zinc/00/10/80/904001080.db2.gz CRFPJCDNFJFCIB-NHCUHLMSSA-N 2 1 398.576 3.680 20 30 GHEDMP COc1cc(C#N)ccc1OCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000303769476 915113981 /nfs/dbraw/zinc/11/39/81/915113981.db2.gz BKODDLWCAIRMCT-SIKLNZKXSA-N 2 1 393.531 3.931 20 30 GHEDMP COc1cc(C#N)ccc1OCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000303769476 915113989 /nfs/dbraw/zinc/11/39/89/915113989.db2.gz BKODDLWCAIRMCT-SIKLNZKXSA-N 2 1 393.531 3.931 20 30 GHEDMP COc1cc(C#N)ccc1OCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000303769476 915113996 /nfs/dbraw/zinc/11/39/96/915113996.db2.gz BKODDLWCAIRMCT-SIKLNZKXSA-N 2 1 393.531 3.931 20 30 GHEDMP COc1cc(C#N)ccc1OCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000303769476 915114004 /nfs/dbraw/zinc/11/40/04/915114004.db2.gz BKODDLWCAIRMCT-SIKLNZKXSA-N 2 1 393.531 3.931 20 30 GHEDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCC(=O)Nc1ccccc1C#N ZINC000411540511 926503085 /nfs/dbraw/zinc/50/30/85/926503085.db2.gz NGDWDVMFVKBGTM-HROJSSOGSA-N 2 1 390.531 3.633 20 30 GHEDMP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932949675 1018781231 /nfs/dbraw/zinc/78/12/31/1018781231.db2.gz PUSLRBVRECNSCO-VWYCJHECSA-N 2 1 380.323 3.574 20 30 GHEDMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932949675 1018781242 /nfs/dbraw/zinc/78/12/42/1018781242.db2.gz PUSLRBVRECNSCO-VWYCJHECSA-N 2 1 380.323 3.574 20 30 GHEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(-n3cc[nH+]c3C)cc1)CC2 ZINC001138549691 1024997436 /nfs/dbraw/zinc/99/74/36/1024997436.db2.gz SNPZAENRWWGGBD-QHCPKHFHSA-N 2 1 378.520 3.714 20 30 GHEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1ccc(-n3cc[nH+]c3C)cc1)CC2 ZINC001138549691 1024997439 /nfs/dbraw/zinc/99/74/39/1024997439.db2.gz SNPZAENRWWGGBD-QHCPKHFHSA-N 2 1 378.520 3.714 20 30 GHEDMP N#Cc1cc2[nH]ccc2c(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1 ZINC001162941267 1025978838 /nfs/dbraw/zinc/97/88/38/1025978838.db2.gz UBUKTKPDUKVVGE-OAQYLSRUSA-N 2 1 399.542 3.953 20 30 GHEDMP CCCCCCCCCCCC[C@@H](O)C[NH2+]Cc1nnc2n1CCC[NH2+]C2 ZINC001245988357 1037110702 /nfs/dbraw/zinc/11/07/02/1037110702.db2.gz VKRJLZOFKKBTKM-LJQANCHMSA-N 2 1 379.593 3.533 20 30 GHEDMP CCCCCCCCCCCC[C@H](O)C[N@@H+]1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001246034556 1037152698 /nfs/dbraw/zinc/15/26/98/1037152698.db2.gz QGDPWVIQACRPSK-XZOQPEGZSA-N 2 1 398.632 3.739 20 30 GHEDMP CCCCCCCCCCCC[C@H](O)C[N@H+]1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001246034556 1037152705 /nfs/dbraw/zinc/15/27/05/1037152705.db2.gz QGDPWVIQACRPSK-XZOQPEGZSA-N 2 1 398.632 3.739 20 30 GHEDMP C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@@H]1CC[NH2+]C3(CCCCC3)C1)CC2 ZINC001246525774 1037458317 /nfs/dbraw/zinc/45/83/17/1037458317.db2.gz LHJHILNYPVMUMG-HXUWFJFHSA-N 2 1 389.584 3.942 20 30 GHEDMP C=CCOC(=O)N[C@H]1CCC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255150440 1040868172 /nfs/dbraw/zinc/86/81/72/1040868172.db2.gz UXRFCGLJAWXHCE-FNAHDJPLSA-N 2 1 383.536 3.559 20 30 GHEDMP C=CCOC(=O)N[C@H]1CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255150440 1040868179 /nfs/dbraw/zinc/86/81/79/1040868179.db2.gz UXRFCGLJAWXHCE-FNAHDJPLSA-N 2 1 383.536 3.559 20 30 GHEDMP C=CCOC(=O)N[C@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255150440 1040868187 /nfs/dbraw/zinc/86/81/87/1040868187.db2.gz UXRFCGLJAWXHCE-FNAHDJPLSA-N 2 1 383.536 3.559 20 30 GHEDMP C=CCOC(=O)N[C@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255150440 1040868195 /nfs/dbraw/zinc/86/81/95/1040868195.db2.gz UXRFCGLJAWXHCE-FNAHDJPLSA-N 2 1 383.536 3.559 20 30 GHEDMP C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256521611 1043445221 /nfs/dbraw/zinc/44/52/21/1043445221.db2.gz ARGOIONPGFWCST-PMOQBDJRSA-N 2 1 391.559 3.534 20 30 GHEDMP C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256521611 1043445228 /nfs/dbraw/zinc/44/52/28/1043445228.db2.gz ARGOIONPGFWCST-PMOQBDJRSA-N 2 1 391.559 3.534 20 30 GHEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCc2cccnc2)C1 ZINC001258728111 1044733929 /nfs/dbraw/zinc/73/39/29/1044733929.db2.gz LIOZFGBPWQFZAN-FGCOXFRFSA-N 2 1 383.580 3.987 20 30 GHEDMP C=CCC[C@@H](C)[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001258728111 1044733950 /nfs/dbraw/zinc/73/39/50/1044733950.db2.gz LIOZFGBPWQFZAN-FGCOXFRFSA-N 2 1 383.580 3.987 20 30 GHEDMP C=CCC[C@@H](C)[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001258728111 1044733961 /nfs/dbraw/zinc/73/39/61/1044733961.db2.gz LIOZFGBPWQFZAN-FGCOXFRFSA-N 2 1 383.580 3.987 20 30 GHEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC001464978992 1065302626 /nfs/dbraw/zinc/30/26/26/1065302626.db2.gz LOWVGEORXASNFD-SFHVURJKSA-N 2 1 398.576 3.541 20 30 GHEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC001464978992 1065302636 /nfs/dbraw/zinc/30/26/36/1065302636.db2.gz LOWVGEORXASNFD-SFHVURJKSA-N 2 1 398.576 3.541 20 30 GHEDMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2sccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000156961275 840939090 /nfs/dbraw/zinc/93/90/90/840939090.db2.gz LLZHTZYMCLARKJ-FXAWDEMLSA-N 2 1 396.560 3.933 20 30 GHEDMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2sccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000156961275 840939094 /nfs/dbraw/zinc/93/90/94/840939094.db2.gz LLZHTZYMCLARKJ-FXAWDEMLSA-N 2 1 396.560 3.933 20 30 GHEDMP C[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2sccc2C#N)CC[NH+]1Cc1ccccc1 ZINC000156961275 840939096 /nfs/dbraw/zinc/93/90/96/840939096.db2.gz LLZHTZYMCLARKJ-FXAWDEMLSA-N 2 1 396.560 3.933 20 30 GHEDMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2sccc2C#N)CC[NH+]1Cc1ccccc1 ZINC000156961275 840939100 /nfs/dbraw/zinc/93/91/00/840939100.db2.gz LLZHTZYMCLARKJ-FXAWDEMLSA-N 2 1 396.560 3.933 20 30 GHEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000183157574 846419934 /nfs/dbraw/zinc/41/99/34/846419934.db2.gz DWXDBXPWNGJPLI-CABCVRRESA-N 2 1 391.475 3.940 20 30 GHEDMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000178789053 849139792 /nfs/dbraw/zinc/13/97/92/849139792.db2.gz JFFLYWPMKYQYQS-INIZCTEOSA-N 2 1 384.474 3.829 20 30 GHEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)C1 ZINC001167983877 852270346 /nfs/dbraw/zinc/27/03/46/852270346.db2.gz KGRNFSMORPHYIG-MXHMCPQYSA-N 2 1 387.568 3.502 20 30 GHEDMP C=CCOC(=O)N1CCC[C@]2(CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)C1 ZINC001167983877 852270354 /nfs/dbraw/zinc/27/03/54/852270354.db2.gz KGRNFSMORPHYIG-MXHMCPQYSA-N 2 1 387.568 3.502 20 30 GHEDMP C=CCOC(=O)N1CCC[C@]2(CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)C1 ZINC001167983877 852270366 /nfs/dbraw/zinc/27/03/66/852270366.db2.gz KGRNFSMORPHYIG-MXHMCPQYSA-N 2 1 387.568 3.502 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1OCC ZINC000414971421 853128423 /nfs/dbraw/zinc/12/84/23/853128423.db2.gz LEAQMXWWYXNSPL-QGZVFWFLSA-N 2 1 397.357 3.890 20 30 GHEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1sc2ccc(C#N)cc2c1C ZINC000550386887 854441779 /nfs/dbraw/zinc/44/17/79/854441779.db2.gz OCFDEZBBFNHPKF-GOSISDBHSA-N 2 1 398.576 3.570 20 30 GHEDMP CC[N@H+](CCC1CC[NH+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1)CC1CC1 ZINC000552441201 860517546 /nfs/dbraw/zinc/51/75/46/860517546.db2.gz REOUDEAPWKRTLT-UHFFFAOYSA-N 2 1 393.535 3.942 20 30 GHEDMP CC[N@@H+](CCC1CC[NH+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1)CC1CC1 ZINC000552441201 860517556 /nfs/dbraw/zinc/51/75/56/860517556.db2.gz REOUDEAPWKRTLT-UHFFFAOYSA-N 2 1 393.535 3.942 20 30 GHEDMP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cccc(C#N)c3F)C2)ccn1 ZINC000856603261 881578535 /nfs/dbraw/zinc/57/85/35/881578535.db2.gz FXMYAUYSBMWHOQ-NRFANRHFSA-N 2 1 382.483 3.586 20 30 GHEDMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cccc(C#N)c3F)C2)ccn1 ZINC000856603261 881578551 /nfs/dbraw/zinc/57/85/51/881578551.db2.gz FXMYAUYSBMWHOQ-NRFANRHFSA-N 2 1 382.483 3.586 20 30 GHEDMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cccc(C#N)c3F)C2)ccn1 ZINC000856603261 881578562 /nfs/dbraw/zinc/57/85/62/881578562.db2.gz FXMYAUYSBMWHOQ-NRFANRHFSA-N 2 1 382.483 3.586 20 30 GHEDMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cccc(C#N)c3F)C2)ccn1 ZINC000856603261 881578578 /nfs/dbraw/zinc/57/85/78/881578578.db2.gz FXMYAUYSBMWHOQ-NRFANRHFSA-N 2 1 382.483 3.586 20 30 GHEDMP N#Cc1ccc(C[NH+]2CCC(NC[C@H](c3ccccc3)[NH+]3CCCC3)CC2)cc1 ZINC000181388407 870958441 /nfs/dbraw/zinc/95/84/41/870958441.db2.gz DZUIVRCWVCFTJH-RUZDIDTESA-N 2 1 388.559 3.949 20 30 GHEDMP N#Cc1ccc(CN2CCC([NH2+]CCC[N@@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000181436685 871012567 /nfs/dbraw/zinc/01/25/67/871012567.db2.gz RHSQMXPJFDRORG-UHFFFAOYSA-N 2 1 388.559 3.561 20 30 GHEDMP N#Cc1ccc(CN2CCC([NH2+]CCC[N@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000181436685 871012612 /nfs/dbraw/zinc/01/26/12/871012612.db2.gz RHSQMXPJFDRORG-UHFFFAOYSA-N 2 1 388.559 3.561 20 30 GHEDMP C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859211704 883664198 /nfs/dbraw/zinc/66/41/98/883664198.db2.gz BHUQMBKRIFCFDB-OAHLLOKOSA-N 2 1 396.560 3.629 20 30 GHEDMP C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859211704 883664206 /nfs/dbraw/zinc/66/42/06/883664206.db2.gz BHUQMBKRIFCFDB-OAHLLOKOSA-N 2 1 396.560 3.629 20 30 GHEDMP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214192 883667547 /nfs/dbraw/zinc/66/75/47/883667547.db2.gz FSRIZDBZYLNSHM-IBGZPJMESA-N 2 1 378.520 3.515 20 30 GHEDMP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214192 883667553 /nfs/dbraw/zinc/66/75/53/883667553.db2.gz FSRIZDBZYLNSHM-IBGZPJMESA-N 2 1 378.520 3.515 20 30 GHEDMP Cc1[nH]c(C2CC[NH+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)[nH+]c1C ZINC000886664354 901213187 /nfs/dbraw/zinc/21/31/87/901213187.db2.gz JWSXNPNBPHBNOJ-UHFFFAOYSA-N 2 1 385.899 3.760 20 30 GHEDMP N#CCCn1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(-c2ccccc2)n1 ZINC000093683425 901560793 /nfs/dbraw/zinc/56/07/93/901560793.db2.gz FVRDXQAADHPWAB-FQEVSTJZSA-N 2 1 377.536 3.772 20 30 GHEDMP N#CCCn1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(-c2ccccc2)n1 ZINC000093683425 901560799 /nfs/dbraw/zinc/56/07/99/901560799.db2.gz FVRDXQAADHPWAB-FQEVSTJZSA-N 2 1 377.536 3.772 20 30 GHEDMP C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001171213094 902707997 /nfs/dbraw/zinc/70/79/97/902707997.db2.gz UIQDHZPRVUQCJI-DENIHFKCSA-N 2 1 393.531 3.838 20 30 GHEDMP C[NH+]1C(C)(C)CC([N@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)CC1(C)C ZINC001171637427 904926501 /nfs/dbraw/zinc/92/65/01/904926501.db2.gz NAHUJOYBBFMLMN-DEOSSOPVSA-N 2 1 394.563 3.638 20 30 GHEDMP C=CCOC(=O)N1CCCC2(CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC001172113460 905364265 /nfs/dbraw/zinc/36/42/65/905364265.db2.gz IWYGFLLJBZKWNO-PMOLBWCYSA-N 2 1 375.557 3.502 20 30 GHEDMP COC[C@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+]([C@@H](C)CCCC#N)CC2 ZINC001172497160 905600349 /nfs/dbraw/zinc/60/03/49/905600349.db2.gz YYTKWZGJVVTLCV-ZWKOTPCHSA-N 2 1 376.570 3.528 20 30 GHEDMP COc1ccc(NC(=[NH2+])NCC(C)(C)[N@H+]2CCc3ccccc3C2)cc1Cl ZINC000303880527 915295262 /nfs/dbraw/zinc/29/52/62/915295262.db2.gz HGHZUQHVTOVWAR-UHFFFAOYSA-N 2 1 386.927 3.912 20 30 GHEDMP CCOc1ccc(OCC)c(NC(=[NH2+])NCCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000303896639 915302301 /nfs/dbraw/zinc/30/23/01/915302301.db2.gz QBSXFSIIYGAJAO-QGZVFWFLSA-N 2 1 376.545 3.723 20 30 GHEDMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=[NH2+])N[C@@H]3CCOc4ccccc43)cc2)C1 ZINC000304475955 915516672 /nfs/dbraw/zinc/51/66/72/915516672.db2.gz HJOKTTBONKKWAJ-XMSQKQJNSA-N 2 1 392.547 3.847 20 30 GHEDMP Cc1cc(C#N)cc(C)c1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000903464575 923044077 /nfs/dbraw/zinc/04/40/77/923044077.db2.gz SBUQTVHGESTNDW-UHFFFAOYSA-N 2 1 377.536 3.745 20 30 GHEDMP N#Cc1cc(Cl)cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)n1 ZINC001155359012 1032517391 /nfs/dbraw/zinc/51/73/91/1032517391.db2.gz WWHVOYWUSZTDLU-SFHVURJKSA-N 2 1 395.938 3.520 20 30 GHEDMP N#Cc1cc(Cl)cnc1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001155363847 1032520140 /nfs/dbraw/zinc/52/01/40/1032520140.db2.gz NKELWEUHFOMVOJ-IBGZPJMESA-N 2 1 395.938 3.520 20 30 GHEDMP C=CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1ccc(OCCC[NH+](C)C)cc1)CC2 ZINC001204269412 1032712536 /nfs/dbraw/zinc/71/25/36/1032712536.db2.gz YUDSDYMOKSTBKR-XMMPIXPASA-N 2 1 399.579 3.550 20 30 GHEDMP Cc1cc(CC#N)ccc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162941664 1025979003 /nfs/dbraw/zinc/97/90/03/1025979003.db2.gz YQXIMIXQMDUKSW-HSZRJFAPSA-N 2 1 388.559 3.975 20 30 GHEDMP N#Cc1cccc2c(C[NH+]3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c[nH]c21 ZINC001139705072 1026549394 /nfs/dbraw/zinc/54/93/94/1026549394.db2.gz LGGFJADBZULLFO-UHFFFAOYSA-N 2 1 385.515 3.923 20 30 GHEDMP CC1(C)C[NH2+]CCc2ccc(O[C@@H]3CC[N@@H+](Cc4ccccc4C#N)C3)cc21 ZINC001218337247 1030901050 /nfs/dbraw/zinc/90/10/50/1030901050.db2.gz QHKLOZGMWHOWPG-JOCHJYFZSA-N 2 1 375.516 3.635 20 30 GHEDMP C=CCN1C(=O)CCC[C@]12CCC[N@@H+](CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001207289713 1034240614 /nfs/dbraw/zinc/24/06/14/1034240614.db2.gz WXSJTLMQEGDBNY-RUZDIDTESA-N 2 1 395.591 3.932 20 30 GHEDMP COc1cc(C#N)ccc1C[NH+]1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001231619324 1034775314 /nfs/dbraw/zinc/77/53/14/1034775314.db2.gz VMICBOLSWNPIDR-UHFFFAOYSA-N 2 1 390.531 3.838 20 30 GHEDMP CCCCCCCCCCCCOCCOC[C@H](O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC001246048429 1037160053 /nfs/dbraw/zinc/16/00/53/1037160053.db2.gz CMHNTRJYYFDYNW-FCHUYYIVSA-N 2 1 386.621 3.582 20 30 GHEDMP C=CCOC(=O)N1CCC(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)CC1 ZINC001246468604 1037420004 /nfs/dbraw/zinc/42/00/04/1037420004.db2.gz ZGYQHICHYKSWSG-PZJWPPBQSA-N 2 1 389.515 3.551 20 30 GHEDMP C=CCOC(=O)N1CCC(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccc(F)cc3C)C2)CC1 ZINC001246468607 1037420414 /nfs/dbraw/zinc/42/04/14/1037420414.db2.gz ZGYQHICHYKSWSG-TZIWHRDSSA-N 2 1 389.515 3.551 20 30 GHEDMP C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1)CC2 ZINC001246526542 1037458952 /nfs/dbraw/zinc/45/89/52/1037458952.db2.gz PADNLEZWHDEEEN-ACDBMABISA-N 2 1 377.573 3.796 20 30 GHEDMP C=CCN1CC[C@@]2(C[N@@H+]([C@H]3C[C@@H](CC)[NH2+][C@@H](CC)C3)C[C@@H]2c2ccccc2)C1=O ZINC001246705178 1037558941 /nfs/dbraw/zinc/55/89/41/1037558941.db2.gz XLWAIFCRRKMATD-JAWPICGBSA-N 2 1 395.591 3.800 20 30 GHEDMP CN(c1ccc(C#N)cc1)c1ccc(C[N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)cc1 ZINC001235401084 1040914781 /nfs/dbraw/zinc/91/47/81/1040914781.db2.gz FMYFTKQNYQHIOP-GOTSBHOMSA-N 2 1 378.495 3.850 20 30 GHEDMP CC(=O)n1ccc2cc(C[C@H](C)[NH2+]C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)cc(C#N)c21 ZINC001255671978 1041204409 /nfs/dbraw/zinc/20/44/09/1041204409.db2.gz SQQSDUKBWDXLQM-AJNJGYFJSA-N 2 1 378.520 3.709 20 30 GHEDMP CC(=O)n1ccc2cc(C[C@H](C)[NH2+]C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)cc(C#N)c21 ZINC001255671978 1041204427 /nfs/dbraw/zinc/20/44/27/1041204427.db2.gz SQQSDUKBWDXLQM-AJNJGYFJSA-N 2 1 378.520 3.709 20 30 GHEDMP N#Cc1ccc(Oc2ccc(Br)c(C[NH+]3CC(CC[NH3+])C3)c2)cc1 ZINC001235919507 1041429238 /nfs/dbraw/zinc/42/92/38/1041429238.db2.gz XOMOUTMJRUCKLX-UHFFFAOYSA-N 2 1 386.293 3.894 20 30 GHEDMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cn(C)c5ccc(C#N)cc45)C[C@@H]3C2)cc1 ZINC001237467714 1042220277 /nfs/dbraw/zinc/22/02/77/1042220277.db2.gz SOKOPABVDZXAFZ-SZPZYZBQSA-N 2 1 384.527 3.922 20 30 GHEDMP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cn(C)c5ccc(C#N)cc45)C[C@@H]3C2)cc1 ZINC001237467714 1042220283 /nfs/dbraw/zinc/22/02/83/1042220283.db2.gz SOKOPABVDZXAFZ-SZPZYZBQSA-N 2 1 384.527 3.922 20 30 GHEDMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cn(C)c5ccc(C#N)cc45)C[C@@H]3C2)cc1 ZINC001237467714 1042220284 /nfs/dbraw/zinc/22/02/84/1042220284.db2.gz SOKOPABVDZXAFZ-SZPZYZBQSA-N 2 1 384.527 3.922 20 30 GHEDMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cn(C)c5ccc(C#N)cc45)C[C@@H]3C2)cc1 ZINC001237467714 1042220290 /nfs/dbraw/zinc/22/02/90/1042220290.db2.gz SOKOPABVDZXAFZ-SZPZYZBQSA-N 2 1 384.527 3.922 20 30 GHEDMP C=CCOC(=O)N1CCC(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256535311 1043475637 /nfs/dbraw/zinc/47/56/37/1043475637.db2.gz FAACQWLAPAQWCI-UGKGYDQZSA-N 2 1 385.552 3.664 20 30 GHEDMP C=CCOC(=O)N1CCC(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256535311 1043475651 /nfs/dbraw/zinc/47/56/51/1043475651.db2.gz FAACQWLAPAQWCI-UGKGYDQZSA-N 2 1 385.552 3.664 20 30 GHEDMP C=CCN1CC[C@@]2(C[N@@H+](C3CC[NH+](CC(C)C)CC3)C[C@@H]2c2ccccc2)C1=O ZINC001258011606 1044337355 /nfs/dbraw/zinc/33/73/55/1044337355.db2.gz HQJBDVQYDAYUJY-NOZRDPDXSA-N 2 1 395.591 3.611 20 30 GHEDMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C[C@H]2C1 ZINC001335133622 1052041138 /nfs/dbraw/zinc/04/11/38/1052041138.db2.gz KFUKRFOBYYQTGR-TUNNFDKTSA-N 2 1 377.536 3.626 20 30 GHEDMP N#CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001342063149 1061034600 /nfs/dbraw/zinc/03/46/00/1061034600.db2.gz LOUUFPZEYNUQGJ-YFNKSVMNSA-N 2 1 375.516 3.979 20 30 GHEDMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H](C(=O)N[C@@H]3CC[N@@H+](C)[C@H](C)C3)C2)CC[NH+]1C ZINC000329359995 834901830 /nfs/dbraw/zinc/90/18/30/834901830.db2.gz XSHWSTHABJFUMY-IGOIZDSHSA-N 2 1 392.588 3.671 20 30 GHEDMP C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H](C(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)C2)CC[NH+]1C ZINC000329359995 834901842 /nfs/dbraw/zinc/90/18/42/834901842.db2.gz XSHWSTHABJFUMY-IGOIZDSHSA-N 2 1 392.588 3.671 20 30 GHEDMP C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H](C(=O)N[C@@H]3CC[N@@H+](C)[C@H](C)C3)C2)CC[NH+]1C ZINC000329359995 834901851 /nfs/dbraw/zinc/90/18/51/834901851.db2.gz XSHWSTHABJFUMY-IGOIZDSHSA-N 2 1 392.588 3.671 20 30 GHEDMP C=CC[C@@]1(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CCC[NH2+]1 ZINC000662796438 841641042 /nfs/dbraw/zinc/64/10/42/841641042.db2.gz KYIZUNZXASRCPH-FQEVSTJZSA-N 2 1 396.362 3.772 20 30 GHEDMP CC[N@H+](CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C#N)CC1)CC1CC1 ZINC000538947535 845749227 /nfs/dbraw/zinc/74/92/27/845749227.db2.gz FJDSRTBFQQGFEL-SFHVURJKSA-N 2 1 382.552 3.719 20 30 GHEDMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C#N)CC1)CC1CC1 ZINC000538947535 845749233 /nfs/dbraw/zinc/74/92/33/845749233.db2.gz FJDSRTBFQQGFEL-SFHVURJKSA-N 2 1 382.552 3.719 20 30 GHEDMP N#Cc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c(F)c1 ZINC000550262673 852215094 /nfs/dbraw/zinc/21/50/94/852215094.db2.gz NNOSJGIIYMIYLH-JOCHJYFZSA-N 2 1 393.506 3.716 20 30 GHEDMP N#Cc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c(F)c1 ZINC000550262673 852215099 /nfs/dbraw/zinc/21/50/99/852215099.db2.gz NNOSJGIIYMIYLH-JOCHJYFZSA-N 2 1 393.506 3.716 20 30 GHEDMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cn4ccccc4c3C#N)CC2)C[C@H](C)O1 ZINC000426768906 852372050 /nfs/dbraw/zinc/37/20/50/852372050.db2.gz DHBZELDDJDNMCI-KDURUIRLSA-N 2 1 380.536 3.522 20 30 GHEDMP C[NH+](C)CCC[C@@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCO1 ZINC000595905478 858712263 /nfs/dbraw/zinc/71/22/63/858712263.db2.gz CTZWLNBKDRMLOV-XMMPIXPASA-N 2 1 391.559 3.929 20 30 GHEDMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCO1 ZINC000595905478 858712266 /nfs/dbraw/zinc/71/22/66/858712266.db2.gz CTZWLNBKDRMLOV-XMMPIXPASA-N 2 1 391.559 3.929 20 30 GHEDMP CC[N@@H+](CCC1CC[NH+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1)CC(C)C ZINC000540195813 870733564 /nfs/dbraw/zinc/73/35/64/870733564.db2.gz HPFQRLIWMHIXDC-HSZRJFAPSA-N 2 1 396.579 3.744 20 30 GHEDMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc(C#N)cc2OC)CC1 ZINC000181635269 871318364 /nfs/dbraw/zinc/31/83/64/871318364.db2.gz LGDGZMFQWNXKFE-KRWDZBQOSA-N 2 1 396.510 3.699 20 30 GHEDMP C=CC[C@@H]1[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCCC1(C)C ZINC001169843482 871934087 /nfs/dbraw/zinc/93/40/87/871934087.db2.gz DYEABGLNLYCHHI-QFIPXVFZSA-N 2 1 383.580 3.965 20 30 GHEDMP C[N@H+](CCC[NH+]1CCC(Cc2ccccc2)CC1)C[C@H](O)c1cccc(C#N)c1 ZINC001195876854 872732021 /nfs/dbraw/zinc/73/20/21/872732021.db2.gz OIKHWSHSQVEQJH-VWLOTQADSA-N 2 1 391.559 3.868 20 30 GHEDMP C[N@@H+](CCC[NH+]1CCC(Cc2ccccc2)CC1)C[C@H](O)c1cccc(C#N)c1 ZINC001195876854 872732030 /nfs/dbraw/zinc/73/20/30/872732030.db2.gz OIKHWSHSQVEQJH-VWLOTQADSA-N 2 1 391.559 3.868 20 30 GHEDMP CC[NH+](CC)CCCC1CC[NH+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000182779859 872768178 /nfs/dbraw/zinc/76/81/78/872768178.db2.gz NPJCWOPNURBBRK-IBGZPJMESA-N 2 1 388.581 3.559 20 30 GHEDMP C=C(C)COc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)ccc1OC ZINC000136565859 877258312 /nfs/dbraw/zinc/25/83/12/877258312.db2.gz PWGTXAPQFPIQJE-NHCUHLMSSA-N 2 1 388.552 3.508 20 30 GHEDMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000538393568 879412999 /nfs/dbraw/zinc/41/29/99/879412999.db2.gz OUYOKWJCOBIBKX-NLFFAJNJSA-N 2 1 388.559 3.948 20 30 GHEDMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000538393568 879413012 /nfs/dbraw/zinc/41/30/12/879413012.db2.gz OUYOKWJCOBIBKX-NLFFAJNJSA-N 2 1 388.559 3.948 20 30 GHEDMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000532649578 886899777 /nfs/dbraw/zinc/89/97/77/886899777.db2.gz LCXFANQEMFHFOH-KNQAVFIVSA-N 2 1 390.531 3.872 20 30 GHEDMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000532649578 886899794 /nfs/dbraw/zinc/89/97/94/886899794.db2.gz LCXFANQEMFHFOH-KNQAVFIVSA-N 2 1 390.531 3.872 20 30 GHEDMP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2C#N)CC[NH+]1Cc1ccccc1 ZINC000532649578 886899809 /nfs/dbraw/zinc/89/98/09/886899809.db2.gz LCXFANQEMFHFOH-KNQAVFIVSA-N 2 1 390.531 3.872 20 30 GHEDMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2C#N)CC[NH+]1Cc1ccccc1 ZINC000532649578 886899828 /nfs/dbraw/zinc/89/98/28/886899828.db2.gz LCXFANQEMFHFOH-KNQAVFIVSA-N 2 1 390.531 3.872 20 30 GHEDMP C#CCOc1cccc(Cl)c1C[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000778176800 893085850 /nfs/dbraw/zinc/08/58/50/893085850.db2.gz OAZXEZVYTNXTRP-UHFFFAOYSA-N 2 1 384.911 3.517 20 30 GHEDMP CC[N@@H+](CCC1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1)CC1CC1 ZINC000536738482 893702839 /nfs/dbraw/zinc/70/28/39/893702839.db2.gz WCTNLTOIQIHVBS-UHFFFAOYSA-N 2 1 388.581 3.782 20 30 GHEDMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccc(C#N)cc3C(F)(F)F)CC2)C[C@@H](C)O1 ZINC000576991801 902416963 /nfs/dbraw/zinc/41/69/63/902416963.db2.gz ORZJLVDVKSBAPQ-HZPDHXFCSA-N 2 1 395.469 3.898 20 30 GHEDMP COc1ccc(NC(=[NH2+])NC[C@H](c2ccccc2OC)[NH+]2CCCCC2)cc1 ZINC000104166479 904546374 /nfs/dbraw/zinc/54/63/74/904546374.db2.gz KFUADPUSYJRCFS-HXUWFJFHSA-N 2 1 382.508 3.658 20 30 GHEDMP CCCCCCC[C@@H](CC)[NH+]1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001172356163 905527046 /nfs/dbraw/zinc/52/70/46/905527046.db2.gz UTXRCOLRBGYRDH-OAQYLSRUSA-N 2 1 395.632 3.628 20 30 GHEDMP CCOC(=O)C[C@H]1CC[C@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173633940 906585787 /nfs/dbraw/zinc/58/57/87/906585787.db2.gz SNWILGZSFPMAPC-MQGJPIDWSA-N 2 1 383.536 3.752 20 30 GHEDMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccc(OCC#N)cc1 ZINC000181572886 907029153 /nfs/dbraw/zinc/02/91/53/907029153.db2.gz ZXZBHPMTHGRFFP-MOPGFXCFSA-N 2 1 379.504 3.660 20 30 GHEDMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccc(OCC#N)cc1 ZINC000181572886 907029174 /nfs/dbraw/zinc/02/91/74/907029174.db2.gz ZXZBHPMTHGRFFP-MOPGFXCFSA-N 2 1 379.504 3.660 20 30 GHEDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1C#N ZINC000411686592 926641545 /nfs/dbraw/zinc/64/15/45/926641545.db2.gz DIWHIHMTMNBNLD-QFIPXVFZSA-N 2 1 390.531 3.777 20 30 GHEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1C#N ZINC000411686592 926641549 /nfs/dbraw/zinc/64/15/49/926641549.db2.gz DIWHIHMTMNBNLD-QFIPXVFZSA-N 2 1 390.531 3.777 20 30 GHEDMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=[NH2+])Nc3ccc4c(c3)CCC4)cc2)C[C@H](C)O1 ZINC000303908934 1021147849 /nfs/dbraw/zinc/14/78/49/1021147849.db2.gz XYSQDMCWUPRDME-HDICACEKSA-N 2 1 392.547 3.711 20 30 GHEDMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)cc1 ZINC001138772783 1025342859 /nfs/dbraw/zinc/34/28/59/1025342859.db2.gz BSDGSEUAGNIXSB-HSZRJFAPSA-N 2 1 379.504 3.542 20 30 GHEDMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1ccc(C#N)c(F)c1)CC2 ZINC001139528745 1026386221 /nfs/dbraw/zinc/38/62/21/1026386221.db2.gz XNLSRLFRONMCGY-UHFFFAOYSA-N 2 1 378.495 3.969 20 30 GHEDMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(C#N)ccc1F)CC2 ZINC001139648048 1026508996 /nfs/dbraw/zinc/50/89/96/1026508996.db2.gz VZOFXSJQJJOHEQ-QFIPXVFZSA-N 2 1 393.506 3.953 20 30 GHEDMP C=CC[N@@H+]1CCc2c(Cl)c(O[C@@H]3CC[NH2+]C3)c(O)cc2[C@@H](c2ccccc2)C1 ZINC001218038846 1030736932 /nfs/dbraw/zinc/73/69/32/1030736932.db2.gz ZVZPYQSGKQKQMF-YLJYHZDGSA-N 2 1 398.934 3.962 20 30 GHEDMP C=CCN1C(=O)CC[C@@]12CCC[N@@H+](CC1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001207291652 1034243869 /nfs/dbraw/zinc/24/38/69/1034243869.db2.gz VJYQNDOCAGBFRH-RUZDIDTESA-N 2 1 395.591 3.932 20 30 GHEDMP N#Cc1c(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ncc2c1CCC[NH2+]C2 ZINC001159288822 1034524534 /nfs/dbraw/zinc/52/45/34/1034524534.db2.gz XBZATQZCJQUOFV-MZADTFQBSA-N 2 1 387.531 3.597 20 30 GHEDMP COc1cc(C#N)ccc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001231620505 1034778574 /nfs/dbraw/zinc/77/85/74/1034778574.db2.gz CJZRPXCRLAHEOD-VXKWHMMOSA-N 2 1 375.516 3.911 20 30 GHEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc([C@@H]2CCCC[N@H+]2CCC)cn1 ZINC001159924460 1034788275 /nfs/dbraw/zinc/78/82/75/1034788275.db2.gz RCMAYFFUCLCDRK-PMACEKPBSA-N 2 1 388.556 3.657 20 30 GHEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc([C@@H]2CCCC[N@@H+]2CCC)cn1 ZINC001159924460 1034788291 /nfs/dbraw/zinc/78/82/91/1034788291.db2.gz RCMAYFFUCLCDRK-PMACEKPBSA-N 2 1 388.556 3.657 20 30 GHEDMP C=CCOC(=O)N1CCC(C[NH2+][C@H]2CC[NH2+][C@H](c3ccc(F)cc3C)C2)CC1 ZINC001246468601 1037421155 /nfs/dbraw/zinc/42/11/55/1037421155.db2.gz ZGYQHICHYKSWSG-FPOVZHCZSA-N 2 1 389.515 3.551 20 30 GHEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H]1CC[NH2+][C@H](Cc3ccccc3)C1)[C@H]2CC ZINC001246703036 1037556640 /nfs/dbraw/zinc/55/66/40/1037556640.db2.gz HPLXBNSQGGEXKK-FVEXOFTDSA-N 2 1 395.591 3.771 20 30 GHEDMP O=C(CC[NH2+]C1CC[NH+](C2CC2)CC1)N1Cc2ccccc2C#Cc2ccccc21 ZINC001256070965 1041506966 /nfs/dbraw/zinc/50/69/66/1041506966.db2.gz JJDVRZHTLLCQJX-UHFFFAOYSA-N 2 1 399.538 3.540 20 30 GHEDMP COc1ccc(C[N@@H+](Cc2ccc(C#N)cc2OC)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236545234 1041757284 /nfs/dbraw/zinc/75/72/84/1041757284.db2.gz LOYYUNCOZSNMKQ-MEMLXQNLSA-N 2 1 379.504 3.848 20 30 GHEDMP CCCCCCCCCCCCNC(=O)N1CCC[C@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001239291644 1042803862 /nfs/dbraw/zinc/80/38/62/1042803862.db2.gz RAVJCYIXRQMUNP-NRFANRHFSA-N 2 1 380.621 3.972 20 30 GHEDMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH+]=C(Nc2ccccc2)N2CCCCC2)C1 ZINC000849079218 1057583480 /nfs/dbraw/zinc/58/34/80/1057583480.db2.gz ZJAPGRBUMDVIGU-QHCPKHFHSA-N 2 1 392.547 3.707 20 30 GHEDMP Cc1[nH+]c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)ccc1CC#N ZINC001164839761 720717562 /nfs/dbraw/zinc/71/75/62/720717562.db2.gz MUIKIVJZZSGGRP-JOCHJYFZSA-N 2 1 390.531 3.716 20 30 GHEDMP Cc1[nH+]c(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)ccc1CC#N ZINC001164839761 720717583 /nfs/dbraw/zinc/71/75/83/720717583.db2.gz MUIKIVJZZSGGRP-JOCHJYFZSA-N 2 1 390.531 3.716 20 30 GHEDMP N#Cc1ccc(-c2nnc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)o2)cc1 ZINC000610367522 838725979 /nfs/dbraw/zinc/72/59/79/838725979.db2.gz QJFVWDANKVIXPQ-UHFFFAOYSA-N 2 1 379.508 3.696 20 30 GHEDMP [NH2+]=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1ccccc1OC(F)(F)F ZINC000195291349 840446470 /nfs/dbraw/zinc/44/64/70/840446470.db2.gz XAIVFOSKPQGVTO-MRXNPFEDSA-N 2 1 392.425 3.834 20 30 GHEDMP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000481907817 862523943 /nfs/dbraw/zinc/52/39/43/862523943.db2.gz BTQVUECHROJMQS-DEOSSOPVSA-N 2 1 375.516 3.948 20 30 GHEDMP C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000057843852 855738436 /nfs/dbraw/zinc/73/84/36/855738436.db2.gz FCAGHOMXJHZHLW-LJQANCHMSA-N 2 1 390.531 3.729 20 30 GHEDMP C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000057843852 855738437 /nfs/dbraw/zinc/73/84/37/855738437.db2.gz FCAGHOMXJHZHLW-LJQANCHMSA-N 2 1 390.531 3.729 20 30 GHEDMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1C#N ZINC000482138060 862724458 /nfs/dbraw/zinc/72/44/58/862724458.db2.gz BDRWYUYDNKFYMB-FUHWJXTLSA-N 2 1 376.932 3.640 20 30 GHEDMP C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000542885200 856651447 /nfs/dbraw/zinc/65/14/47/856651447.db2.gz UWDQZUXJLJACBG-MBSDFSHPSA-N 2 1 391.515 4.000 20 30 GHEDMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(C4(C#N)CC4)cc3)c2)CCO1 ZINC000594918092 858304411 /nfs/dbraw/zinc/30/44/11/858304411.db2.gz PHPAHRRPAQJSOV-LJQANCHMSA-N 2 1 375.516 3.752 20 30 GHEDMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(C4(C#N)CC4)cc3)c2)CCO1 ZINC000594918092 858304415 /nfs/dbraw/zinc/30/44/15/858304415.db2.gz PHPAHRRPAQJSOV-LJQANCHMSA-N 2 1 375.516 3.752 20 30 GHEDMP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000595066806 858369923 /nfs/dbraw/zinc/36/99/23/858369923.db2.gz FGLUBOWJUYRWKP-ISKFKSNPSA-N 2 1 375.516 3.682 20 30 GHEDMP CCC[N@H+](CCc1ccc(C#N)cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000595371669 858518925 /nfs/dbraw/zinc/51/89/25/858518925.db2.gz QHKZSLJRDDPBLP-UHFFFAOYSA-N 2 1 377.536 3.889 20 30 GHEDMP CCC[N@@H+](CCc1ccc(C#N)cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000595371669 858518932 /nfs/dbraw/zinc/51/89/32/858518932.db2.gz QHKZSLJRDDPBLP-UHFFFAOYSA-N 2 1 377.536 3.889 20 30 GHEDMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)CC3(C#N)CCOCC3)CC2)cs1 ZINC000602559793 860112039 /nfs/dbraw/zinc/11/20/39/860112039.db2.gz VPEMJCZNWXWAOZ-KRWDZBQOSA-N 2 1 390.597 3.606 20 30 GHEDMP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000262273634 860924354 /nfs/dbraw/zinc/92/43/54/860924354.db2.gz UIUQEOPGRFPYKB-XUVXKRRUSA-N 2 1 380.540 3.600 20 30 GHEDMP C[N@H+]1CCC[C@H](CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)[C@H]1c1cccs1 ZINC000262359431 863177811 /nfs/dbraw/zinc/17/78/11/863177811.db2.gz GNNDWAHUJLGPBZ-MDYRTPRTSA-N 2 1 384.549 3.559 20 30 GHEDMP C[NH+]=C(NCc1nc(C)c(C)s1)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000262381722 863371159 /nfs/dbraw/zinc/37/11/59/863371159.db2.gz KMUPPYINQIYOFY-MAUKXSAKSA-N 2 1 391.610 3.570 20 30 GHEDMP C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000121651461 869728670 /nfs/dbraw/zinc/72/86/70/869728670.db2.gz JXUUUFJRSXQFOM-QGZVFWFLSA-N 2 1 388.581 3.541 20 30 GHEDMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1)CC1CC1 ZINC000540050710 870306145 /nfs/dbraw/zinc/30/61/45/870306145.db2.gz ZNSNYWJLCAGMOY-LJQANCHMSA-N 2 1 388.600 3.552 20 30 GHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)CC1 ZINC000152939720 872993839 /nfs/dbraw/zinc/99/38/39/872993839.db2.gz HFYWVTQCOCBVKH-HNNXBMFYSA-N 2 1 394.357 3.796 20 30 GHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCN(C(=O)C(F)(F)F)Cc3ccccc32)CC1 ZINC000850434619 876917478 /nfs/dbraw/zinc/91/74/78/876917478.db2.gz ZHPDFYDRZCZKTC-IBGZPJMESA-N 2 1 395.469 3.652 20 30 GHEDMP C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000498858512 885958403 /nfs/dbraw/zinc/95/84/03/885958403.db2.gz VBRBSYZHXTWNDS-GGAORHGYSA-N 2 1 386.580 3.599 20 30 GHEDMP C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000498858512 885958415 /nfs/dbraw/zinc/95/84/15/885958415.db2.gz VBRBSYZHXTWNDS-GGAORHGYSA-N 2 1 386.580 3.599 20 30 GHEDMP C[C@@H](NCC#CC[NH2+][C@H](C)c1nc2c(s1)CCC2)c1nc2c(s1)CCC2 ZINC000459635894 893945389 /nfs/dbraw/zinc/94/53/89/893945389.db2.gz UTYHRZZHCKBOLI-ZIAGYGMSSA-N 2 1 386.590 3.582 20 30 GHEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)[C@H](C)C1 ZINC000536867399 893966384 /nfs/dbraw/zinc/96/63/84/893966384.db2.gz DFWGISXQQMUUJL-RQJJNDFQSA-N 2 1 399.579 3.975 20 30 GHEDMP COc1ccc(CC[NH+]2CCC([NH2+][C@@H](C)Cc3cccc(C#N)c3)CC2)cc1 ZINC001171191885 902250858 /nfs/dbraw/zinc/25/08/58/902250858.db2.gz HBSPOTRRXJYJOT-IBGZPJMESA-N 2 1 377.532 3.795 20 30 GHEDMP C[NH+]=C(NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)NC[C@@]1(C)CCCS1 ZINC000159236863 902753711 /nfs/dbraw/zinc/75/37/11/902753711.db2.gz WASCNDJWBMEWIJ-VDZJLULYSA-N 2 1 380.627 3.582 20 30 GHEDMP CC[N@@H+](CCCSCC#N)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000365751009 921134000 /nfs/dbraw/zinc/13/40/00/921134000.db2.gz ZISJAYXXIAPPNU-UHFFFAOYSA-N 2 1 375.586 3.846 20 30 GHEDMP C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172114042 905362468 /nfs/dbraw/zinc/36/24/68/905362468.db2.gz OFXAZCKQRMOHSZ-ACDBMABISA-N 2 1 375.557 3.502 20 30 GHEDMP COC(=O)[C@H]1CCC[C@@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172781192 905821759 /nfs/dbraw/zinc/82/17/59/905821759.db2.gz MESLLVGBBMJCDW-KJJMTIBFSA-N 2 1 383.536 3.752 20 30 GHEDMP C=C(C)C[NH+]1CCC(NC(=O)N(CC)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000176501729 905855741 /nfs/dbraw/zinc/85/57/41/905855741.db2.gz QYFDFEXJOHPCSU-QFIPXVFZSA-N 2 1 398.595 3.581 20 30 GHEDMP COc1ccc([C@H](CNC(=[NH2+])Nc2cccc(OC)c2)[NH+]2CCCCC2)cc1 ZINC000303771100 915120814 /nfs/dbraw/zinc/12/08/14/915120814.db2.gz CKFIKFGHSMHXAE-NRFANRHFSA-N 2 1 382.508 3.658 20 30 GHEDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=[NH2+])N[C@H]2CCOc3ccccc32)C1 ZINC000304499661 915526216 /nfs/dbraw/zinc/52/62/16/915526216.db2.gz RDEDUKDGAFPVFS-GCJKJVERSA-N 2 1 392.547 3.847 20 30 GHEDMP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000467759002 929379839 /nfs/dbraw/zinc/37/98/39/929379839.db2.gz LFYAGBGHFYNULS-CTNGQTDRSA-N 2 1 386.584 3.895 20 30 GHEDMP COc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1C#N ZINC000781422967 930838445 /nfs/dbraw/zinc/83/84/45/930838445.db2.gz OEGGGXQWMRGIAC-ACIOBRDBSA-N 2 1 375.516 3.957 20 30 GHEDMP C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000924591129 931434704 /nfs/dbraw/zinc/43/47/04/931434704.db2.gz GAEMLIFWTCYXDZ-QGZVFWFLSA-N 2 1 390.572 3.522 20 30 GHEDMP N#Cc1cc(Cl)cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)n1 ZINC001155359011 1032517228 /nfs/dbraw/zinc/51/72/28/1032517228.db2.gz WWHVOYWUSZTDLU-GOSISDBHSA-N 2 1 395.938 3.520 20 30 GHEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)CO[C@H](c2ccccc2)c2ccccc2C)CC1 ZINC000579344290 1020407317 /nfs/dbraw/zinc/40/73/17/1020407317.db2.gz XWKMJHFJJZZLGM-ILBGXUMGSA-N 2 1 394.559 3.702 20 30 GHEDMP C=CCN1CC[C@@]2(C[N@H+](Cc3c[nH]c4cc[nH+]cc34)C[C@@H]2c2ccccc2)C1=O ZINC001140801437 1022570393 /nfs/dbraw/zinc/57/03/93/1022570393.db2.gz NKZVJMCQFNAOTJ-QPPBQGQZSA-N 2 1 386.499 3.567 20 30 GHEDMP C=CCN1CC[C@@]2(C[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C[C@@H]2c2ccccc2)C1=O ZINC001140801437 1022570396 /nfs/dbraw/zinc/57/03/96/1022570396.db2.gz NKZVJMCQFNAOTJ-QPPBQGQZSA-N 2 1 386.499 3.567 20 30 GHEDMP C#CCOc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)cc1 ZINC001138559676 1025020941 /nfs/dbraw/zinc/02/09/41/1025020941.db2.gz PQPLKENGEAYUJO-UHFFFAOYSA-N 2 1 396.556 3.627 20 30 GHEDMP C#CCOc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)cc1 ZINC001138559676 1025020951 /nfs/dbraw/zinc/02/09/51/1025020951.db2.gz PQPLKENGEAYUJO-UHFFFAOYSA-N 2 1 396.556 3.627 20 30 GHEDMP C#CCOc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001138559447 1025020985 /nfs/dbraw/zinc/02/09/85/1025020985.db2.gz VCODACFEQNAKIB-TUSQITKMSA-N 2 1 389.543 3.826 20 30 GHEDMP C#CCOc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001138559447 1025020996 /nfs/dbraw/zinc/02/09/96/1025020996.db2.gz VCODACFEQNAKIB-TUSQITKMSA-N 2 1 389.543 3.826 20 30 GHEDMP C#CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001138559447 1025021003 /nfs/dbraw/zinc/02/10/03/1025021003.db2.gz VCODACFEQNAKIB-TUSQITKMSA-N 2 1 389.543 3.826 20 30 GHEDMP C#CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001138559447 1025021017 /nfs/dbraw/zinc/02/10/17/1025021017.db2.gz VCODACFEQNAKIB-TUSQITKMSA-N 2 1 389.543 3.826 20 30 GHEDMP C#CCOc1ccc(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)cc1 ZINC001138559725 1025022329 /nfs/dbraw/zinc/02/23/29/1025022329.db2.gz QSVZGXJEIHNEAE-UHFFFAOYSA-N 2 1 389.543 3.970 20 30 GHEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)[C@H]2CC ZINC001138770525 1025338381 /nfs/dbraw/zinc/33/83/81/1025338381.db2.gz IVKIHQRWELXQQY-UPVQGACJSA-N 2 1 399.579 3.549 20 30 GHEDMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)cc1 ZINC001138773382 1025345139 /nfs/dbraw/zinc/34/51/39/1025345139.db2.gz BVGJOPWWWVJCRA-QHCPKHFHSA-N 2 1 379.504 3.542 20 30 GHEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(N(c2cccc(C[NH3+])c2)S(C)(=O)=O)cc1 ZINC001166503860 1027018515 /nfs/dbraw/zinc/01/85/15/1027018515.db2.gz WWQXXKDSAHOGEA-NRFANRHFSA-N 2 1 385.533 3.566 20 30 GHEDMP CC1(C)C[NH2+]CCc2ccc(O[C@H]3CC[N@@H+](Cc4ccccc4C#N)C3)cc21 ZINC001218337248 1030901358 /nfs/dbraw/zinc/90/13/58/1030901358.db2.gz QHKLOZGMWHOWPG-QFIPXVFZSA-N 2 1 375.516 3.635 20 30 GHEDMP C=CC[N@H+]1CCc2c(Cl)c(O[C@@H]3C[NH2+][C@H]3C)c(O)cc2[C@H](c2ccccc2)C1 ZINC001218393745 1030918050 /nfs/dbraw/zinc/91/80/50/1030918050.db2.gz VWSBYBKDTLFIQN-PAXLWEDBSA-N 2 1 398.934 3.961 20 30 GHEDMP C=CCCC[NH+]1CCC2(C[C@@H](CC(=O)N3CC[NH+](C)CC3)c3ccccc32)CC1 ZINC001209161935 1035196518 /nfs/dbraw/zinc/19/65/18/1035196518.db2.gz PDPOFIBXYCDDQJ-OAQYLSRUSA-N 2 1 395.591 3.638 20 30 GHEDMP C=CCCCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001161575667 1035261854 /nfs/dbraw/zinc/26/18/54/1035261854.db2.gz MIIVPQSBWVFESI-ZLNRFVROSA-N 2 1 383.580 3.821 20 30 GHEDMP C=CCCCCC[C@H]([NH3+])C(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001161575665 1035262454 /nfs/dbraw/zinc/26/24/54/1035262454.db2.gz MIIVPQSBWVFESI-VABKMULXSA-N 2 1 383.580 3.821 20 30 GHEDMP C=CCCCCC[NH+]1CCC(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001209427426 1035272776 /nfs/dbraw/zinc/27/27/76/1035272776.db2.gz QEYVCZJPUZBKQU-UHFFFAOYSA-N 2 1 383.580 3.789 20 30 GHEDMP CCc1cc(C#N)ccc1C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001248749666 1036106573 /nfs/dbraw/zinc/10/65/73/1036106573.db2.gz HLKKYOYJXHTWEJ-JOCHJYFZSA-N 2 1 393.531 3.969 20 30 GHEDMP CC(C)(C)OC(=O)[C@H](CCCC[NH3+])[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001246204695 1037237435 /nfs/dbraw/zinc/23/74/35/1037237435.db2.gz YJKFPJIVEGGJKP-KQVJYAISSA-N 2 1 385.552 3.819 20 30 GHEDMP CCOC(=O)[C@@H]1CCC[C@@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255348160 1040954640 /nfs/dbraw/zinc/95/46/40/1040954640.db2.gz BNMVDNYLQLTZRU-GXRSIYKFSA-N 2 1 383.536 3.752 20 30 GHEDMP C[NH+]1CCN(c2ccc(C[NH+]3CCC(C#N)(c4ccccc4)CC3)c(F)c2)CC1 ZINC001236933162 1041964273 /nfs/dbraw/zinc/96/42/73/1041964273.db2.gz WEVKDDSGFUSSQD-UHFFFAOYSA-N 2 1 392.522 3.635 20 30 GHEDMP CC(C)(C)OC(=O)NC1CC[NH+](C2CC[NH+](C3CCC(C#N)CC3)CC2)CC1 ZINC001256971130 1043777878 /nfs/dbraw/zinc/77/78/78/1043777878.db2.gz JTNGVFQLEZTFQH-UHFFFAOYSA-N 2 1 390.572 3.522 20 30 GHEDMP C[N@H+]1CCC[C@H](CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)[C@@H]1c1cccs1 ZINC000262359438 835237224 /nfs/dbraw/zinc/23/72/24/835237224.db2.gz GNNDWAHUJLGPBZ-WRWLIDTKSA-N 2 1 384.549 3.559 20 30 GHEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000180234852 836789644 /nfs/dbraw/zinc/78/96/44/836789644.db2.gz BRYGFKVNBWWKBE-SBUREZEXSA-N 2 1 399.498 3.899 20 30 GHEDMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1C#N ZINC000482138057 842032206 /nfs/dbraw/zinc/03/22/06/842032206.db2.gz BDRWYUYDNKFYMB-AEFFLSMTSA-N 2 1 376.932 3.640 20 30 GHEDMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CCCO1 ZINC000432359161 842167117 /nfs/dbraw/zinc/16/71/17/842167117.db2.gz PCGCSGINJHNAGV-FQEVSTJZSA-N 2 1 393.531 3.728 20 30 GHEDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CC#Cc3ccc(Cl)cc3)CC2)CC1 ZINC000430928985 843201600 /nfs/dbraw/zinc/20/16/00/843201600.db2.gz VVSMCTCELAXIHN-UHFFFAOYSA-N 3 1 387.999 3.820 20 30 GHEDMP COc1ccccc1CNC(=[NH2+])NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000178583355 843483025 /nfs/dbraw/zinc/48/30/25/843483025.db2.gz FUQZSPCFYNTISB-UHFFFAOYSA-N 2 1 392.503 3.525 20 30 GHEDMP COc1ccccc1CNC(=[NH2+])NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000178583355 843483030 /nfs/dbraw/zinc/48/30/30/843483030.db2.gz FUQZSPCFYNTISB-UHFFFAOYSA-N 2 1 392.503 3.525 20 30 GHEDMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccc(C#N)cc1F ZINC000512647700 844876110 /nfs/dbraw/zinc/87/61/10/844876110.db2.gz JFOQDPAQLXTWEI-WZONZLPQSA-N 2 1 380.511 3.727 20 30 GHEDMP C#Cc1ccc(NC(=O)CC[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cc1 ZINC001167659557 849332092 /nfs/dbraw/zinc/33/20/92/849332092.db2.gz STINONCJERFMTL-HXUWFJFHSA-N 2 1 381.564 3.973 20 30 GHEDMP N#CC1(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC001167971570 851547829 /nfs/dbraw/zinc/54/78/29/851547829.db2.gz YZBAJZIQVRQGPW-NOTZXAQLSA-N 2 1 378.564 3.540 20 30 GHEDMP C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)C1 ZINC001167983875 852269796 /nfs/dbraw/zinc/26/97/96/852269796.db2.gz KGRNFSMORPHYIG-FANLQWHUSA-N 2 1 387.568 3.502 20 30 GHEDMP C=CCOC(=O)N1CCC[C@@]2(CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)C1 ZINC001167983875 852269803 /nfs/dbraw/zinc/26/98/03/852269803.db2.gz KGRNFSMORPHYIG-FANLQWHUSA-N 2 1 387.568 3.502 20 30 GHEDMP C=CCOC(=O)N1CCC[C@@]2(CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)C1 ZINC001167983875 852269813 /nfs/dbraw/zinc/26/98/13/852269813.db2.gz KGRNFSMORPHYIG-FANLQWHUSA-N 2 1 387.568 3.502 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1OCC ZINC000414944585 852772515 /nfs/dbraw/zinc/77/25/15/852772515.db2.gz HBJLIQKSHSOLDH-HIFRSBDPSA-N 2 1 383.330 3.643 20 30 GHEDMP C=CC[NH+]1CCC(NC(=O)N(CC)[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000473961366 854440502 /nfs/dbraw/zinc/44/05/02/854440502.db2.gz WNIPSMUJBSWJKU-KNQAVFIVSA-N 2 1 384.568 3.504 20 30 GHEDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000057844082 856234540 /nfs/dbraw/zinc/23/45/40/856234540.db2.gz RBRJYBKBYDGQBE-UHFFFAOYSA-N 2 1 390.531 3.731 20 30 GHEDMP Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1C ZINC000185665816 861157549 /nfs/dbraw/zinc/15/75/49/861157549.db2.gz KKPJSUVKQHHSOF-RTWAWAEBSA-N 2 1 396.579 3.793 20 30 GHEDMP Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1C ZINC000185665816 861157562 /nfs/dbraw/zinc/15/75/62/861157562.db2.gz KKPJSUVKQHHSOF-RTWAWAEBSA-N 2 1 396.579 3.793 20 30 GHEDMP N#CCCCOc1cccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000475353535 864840147 /nfs/dbraw/zinc/84/01/47/864840147.db2.gz QRTHZNRFMWWXEI-ZRZAMGCNSA-N 2 1 375.516 3.933 20 30 GHEDMP N#CCCCOc1cccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000475353535 864840154 /nfs/dbraw/zinc/84/01/54/864840154.db2.gz QRTHZNRFMWWXEI-ZRZAMGCNSA-N 2 1 375.516 3.933 20 30 GHEDMP N#CCCCOc1cccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000475353535 864840160 /nfs/dbraw/zinc/84/01/60/864840160.db2.gz QRTHZNRFMWWXEI-ZRZAMGCNSA-N 2 1 375.516 3.933 20 30 GHEDMP N#CCCCOc1cccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000475353535 864840166 /nfs/dbraw/zinc/84/01/66/864840166.db2.gz QRTHZNRFMWWXEI-ZRZAMGCNSA-N 2 1 375.516 3.933 20 30 GHEDMP C=CCOc1c(Br)cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1OC ZINC000093644425 872315429 /nfs/dbraw/zinc/31/54/29/872315429.db2.gz KKBSBYCHCFADMF-ZBFHGGJFSA-N 2 1 397.357 3.937 20 30 GHEDMP C=CCOc1c(Br)cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1OC ZINC000093644425 872315448 /nfs/dbraw/zinc/31/54/48/872315448.db2.gz KKBSBYCHCFADMF-ZBFHGGJFSA-N 2 1 397.357 3.937 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000093644425 872315465 /nfs/dbraw/zinc/31/54/65/872315465.db2.gz KKBSBYCHCFADMF-ZBFHGGJFSA-N 2 1 397.357 3.937 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000093644425 872315480 /nfs/dbraw/zinc/31/54/80/872315480.db2.gz KKBSBYCHCFADMF-ZBFHGGJFSA-N 2 1 397.357 3.937 20 30 GHEDMP C[N@@H+](CCCC[NH+]1CCCCC1)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC001197286344 873712926 /nfs/dbraw/zinc/71/29/26/873712926.db2.gz WJRLMNNOIIIQCJ-UHFFFAOYSA-N 2 1 388.581 3.635 20 30 GHEDMP CC1(C)C[N@@H+](C[C@@H](O)CC2(C#N)CC2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000528560105 874705866 /nfs/dbraw/zinc/70/58/66/874705866.db2.gz HOEOWJINQUYORO-VXKWHMMOSA-N 2 1 381.564 3.664 20 30 GHEDMP Cc1cc(N2CCC([NH2+]Cc3cccc(OCCCC#N)c3)CC2)nc(C)[nH+]1 ZINC000178615598 882927107 /nfs/dbraw/zinc/92/71/07/882927107.db2.gz JJQPCWPGTVRMSW-UHFFFAOYSA-N 2 1 379.508 3.535 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1OC ZINC000666999502 877496797 /nfs/dbraw/zinc/49/67/97/877496797.db2.gz QDTUBZBAHUYNOI-OAHLLOKOSA-N 2 1 395.341 3.787 20 30 GHEDMP CC(C)(C[NH+]1CCCC1)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000452092554 878954449 /nfs/dbraw/zinc/95/44/49/878954449.db2.gz VDMQCQBSDUELNN-UHFFFAOYSA-N 2 1 388.581 3.681 20 30 GHEDMP Cc1ccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1C ZINC000859212874 883665606 /nfs/dbraw/zinc/66/56/06/883665606.db2.gz CPBANYMKGPFFHW-UHFFFAOYSA-N 2 1 392.547 3.744 20 30 GHEDMP Cc1ccc(N(CCC#N)C(=O)C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1C ZINC000859212874 883665611 /nfs/dbraw/zinc/66/56/11/883665611.db2.gz CPBANYMKGPFFHW-UHFFFAOYSA-N 2 1 392.547 3.744 20 30 GHEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)[C@@H](C)C1 ZINC000536867377 893966407 /nfs/dbraw/zinc/96/64/07/893966407.db2.gz DFWGISXQQMUUJL-MALGCSLJSA-N 2 1 399.579 3.975 20 30 GHEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000815652493 894096337 /nfs/dbraw/zinc/09/63/37/894096337.db2.gz FLBQJEOERWHSTL-ZDUSSCGKSA-N 2 1 389.849 3.621 20 30 GHEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000815652493 894096355 /nfs/dbraw/zinc/09/63/55/894096355.db2.gz FLBQJEOERWHSTL-ZDUSSCGKSA-N 2 1 389.849 3.621 20 30 GHEDMP C=C(C)CN(Cc1ccccc1)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000574821378 901019530 /nfs/dbraw/zinc/01/95/30/901019530.db2.gz FVRHEMWVQZSMNX-UHFFFAOYSA-N 2 1 383.580 3.788 20 30 GHEDMP C=CCOC(=O)N1CCC2(CCC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)CC1 ZINC001172113814 905361762 /nfs/dbraw/zinc/36/17/62/905361762.db2.gz MRGPYEJJHHRQMV-PMOLBWCYSA-N 2 1 375.557 3.502 20 30 GHEDMP C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)CC1 ZINC001172113814 905361779 /nfs/dbraw/zinc/36/17/79/905361779.db2.gz MRGPYEJJHHRQMV-PMOLBWCYSA-N 2 1 375.557 3.502 20 30 GHEDMP C=CCOC(=O)N1CCC2(CCC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C2)CC1 ZINC001172113814 905361796 /nfs/dbraw/zinc/36/17/96/905361796.db2.gz MRGPYEJJHHRQMV-PMOLBWCYSA-N 2 1 375.557 3.502 20 30 GHEDMP CCCCCCC[C@H](CC)[NH+]1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001172356160 905527274 /nfs/dbraw/zinc/52/72/74/905527274.db2.gz UTXRCOLRBGYRDH-NRFANRHFSA-N 2 1 395.632 3.628 20 30 GHEDMP CN(CCC#N)c1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000245814199 909938639 /nfs/dbraw/zinc/93/86/39/909938639.db2.gz ZXWCXPYFLFWAJZ-HSZRJFAPSA-N 2 1 376.548 3.990 20 30 GHEDMP CN(CCC#N)c1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000245814199 909938651 /nfs/dbraw/zinc/93/86/51/909938651.db2.gz ZXWCXPYFLFWAJZ-HSZRJFAPSA-N 2 1 376.548 3.990 20 30 GHEDMP CN(CCC#N)c1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000245814199 909938660 /nfs/dbraw/zinc/93/86/60/909938660.db2.gz ZXWCXPYFLFWAJZ-HSZRJFAPSA-N 2 1 376.548 3.990 20 30 GHEDMP COc1cccc([C@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)[NH+]2CCCC2)c1 ZINC000303776640 915122079 /nfs/dbraw/zinc/12/20/79/915122079.db2.gz HXVASTADAZYWKT-QFIPXVFZSA-N 2 1 378.520 3.748 20 30 GHEDMP Cc1ccc([C@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)[NH+](C)C)cc1 ZINC000303888162 915298486 /nfs/dbraw/zinc/29/84/86/915298486.db2.gz OSJIWOHBCCUYTL-KRWDZBQOSA-N 2 1 380.414 3.923 20 30 GHEDMP C[NH+](C)Cc1ccc(-c2ccccc2C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000115596248 919459674 /nfs/dbraw/zinc/45/96/74/919459674.db2.gz GDBPCDHXCMJBTP-XMMPIXPASA-N 2 1 398.510 3.603 20 30 GHEDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC000411686129 926642746 /nfs/dbraw/zinc/64/27/46/926642746.db2.gz CMJRGWYQQHZGHD-JOCHJYFZSA-N 2 1 390.531 3.777 20 30 GHEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC000411686129 926642751 /nfs/dbraw/zinc/64/27/51/926642751.db2.gz CMJRGWYQQHZGHD-JOCHJYFZSA-N 2 1 390.531 3.777 20 30 GHEDMP N#Cc1c(N)sc(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)c1Cl ZINC001141112872 1023529199 /nfs/dbraw/zinc/52/91/99/1023529199.db2.gz PQHLTWPXPIYBGC-UHFFFAOYSA-N 2 1 386.952 3.953 20 30 GHEDMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cc(C#N)ccc1F)CC2 ZINC001139648047 1026509688 /nfs/dbraw/zinc/50/96/88/1026509688.db2.gz VZOFXSJQJJOHEQ-JOCHJYFZSA-N 2 1 393.506 3.953 20 30 GHEDMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]Cc3csc(C#N)c3)cc2)C[C@H]1C ZINC001461399695 1069533818 /nfs/dbraw/zinc/53/38/18/1069533818.db2.gz IHUHQRCLTNAEJW-HDICACEKSA-N 2 1 383.561 3.919 20 30 GHEDMP N#Cc1ccc(C[N@@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)s1 ZINC001222590066 1030214467 /nfs/dbraw/zinc/21/44/67/1030214467.db2.gz DGDKXAUJVVBVMD-LJQANCHMSA-N 2 1 381.545 3.923 20 30 GHEDMP N#Cc1ccc(C[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)s1 ZINC001222590066 1030214483 /nfs/dbraw/zinc/21/44/83/1030214483.db2.gz DGDKXAUJVVBVMD-LJQANCHMSA-N 2 1 381.545 3.923 20 30 GHEDMP C#C[C@@H](COc1cccc(Cl)c1)Oc1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001218438282 1030937272 /nfs/dbraw/zinc/93/72/72/1030937272.db2.gz IQFOSWTWEWAIGV-FQEVSTJZSA-N 2 1 384.907 3.723 20 30 GHEDMP C=CCOC[C@@H]1CCC[C@@]12C[N@H+](C[C@H]1CCC[NH+](Cc3ccccc3)C1)CCO2 ZINC001208937986 1035104835 /nfs/dbraw/zinc/10/48/35/1035104835.db2.gz YWHINDIHAOISOR-CCDWMCETSA-N 2 1 398.591 3.972 20 30 GHEDMP C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](C[C@H]1CCC[NH+](Cc3ccccc3)C1)CCO2 ZINC001208937986 1035104840 /nfs/dbraw/zinc/10/48/40/1035104840.db2.gz YWHINDIHAOISOR-CCDWMCETSA-N 2 1 398.591 3.972 20 30 GHEDMP C=CCOC[C@@H]1CCC[C@@]12C[NH+](C[C@H]1CCC[N@H+](Cc3ccccc3)C1)CCO2 ZINC001208937986 1035104844 /nfs/dbraw/zinc/10/48/44/1035104844.db2.gz YWHINDIHAOISOR-CCDWMCETSA-N 2 1 398.591 3.972 20 30 GHEDMP C=CCOC[C@@H]1CCC[C@@]12C[NH+](C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CCO2 ZINC001208937986 1035104850 /nfs/dbraw/zinc/10/48/50/1035104850.db2.gz YWHINDIHAOISOR-CCDWMCETSA-N 2 1 398.591 3.972 20 30 GHEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208945934 1035117537 /nfs/dbraw/zinc/11/75/37/1035117537.db2.gz OEROBBIHDGGOPY-TZRRMPRUSA-N 2 1 384.564 3.582 20 30 GHEDMP C=CCOC[C@]12CCCO[C@H]1CC[NH+](C[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208945934 1035117542 /nfs/dbraw/zinc/11/75/42/1035117542.db2.gz OEROBBIHDGGOPY-TZRRMPRUSA-N 2 1 384.564 3.582 20 30 GHEDMP C=CCOC[C@]12CCCO[C@H]1CC[NH+](C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208945934 1035117551 /nfs/dbraw/zinc/11/75/51/1035117551.db2.gz OEROBBIHDGGOPY-TZRRMPRUSA-N 2 1 384.564 3.582 20 30 GHEDMP CCCCCCCCCCCC[C@@H](O)C[N@@H+]1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001246034543 1037151604 /nfs/dbraw/zinc/15/16/04/1037151604.db2.gz QGDPWVIQACRPSK-DHIUTWEWSA-N 2 1 398.632 3.739 20 30 GHEDMP CCCCCCCCCCCC[C@@H](O)C[N@H+]1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001246034543 1037151607 /nfs/dbraw/zinc/15/16/07/1037151607.db2.gz QGDPWVIQACRPSK-DHIUTWEWSA-N 2 1 398.632 3.739 20 30 GHEDMP C=CCOC(=O)N1CCC2(CCC[N@H+]([C@@H]3CC[NH2+][C@@H](C(C)(C)C)C3)C2)CC1 ZINC001246523301 1037454278 /nfs/dbraw/zinc/45/42/78/1037454278.db2.gz AIMSSGXBOJWSCB-RTBURBONSA-N 2 1 377.573 3.654 20 30 GHEDMP C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@@H]1CC[NH2+][C@@H](CCCC)C1)CC2 ZINC001246525800 1037456858 /nfs/dbraw/zinc/45/68/58/1037456858.db2.gz LHQPCKKCKMTCSE-VQTJNVASSA-N 2 1 377.573 3.798 20 30 GHEDMP C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@H]3CC[NH2+][C@@H](c4ccccc4)C3)C2)CC1 ZINC001246527785 1037461714 /nfs/dbraw/zinc/46/17/14/1037461714.db2.gz WQEZOBIXJTXNKX-FCHUYYIVSA-N 2 1 397.563 3.980 20 30 GHEDMP C=CCOC(=O)N1CCC2(CCC[N@H+]([C@H]3CC[NH2+][C@@H](c4ccccc4)C3)C2)CC1 ZINC001246527785 1037461728 /nfs/dbraw/zinc/46/17/28/1037461728.db2.gz WQEZOBIXJTXNKX-FCHUYYIVSA-N 2 1 397.563 3.980 20 30 GHEDMP C=CCCCCCC[C@@H](O)C[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001253237284 1039493095 /nfs/dbraw/zinc/49/30/95/1039493095.db2.gz JIJZEWINUIARBG-JOCHJYFZSA-N 2 1 388.600 3.615 20 30 GHEDMP CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]CCc1[nH]cc[nH+]1 ZINC001253614514 1039724733 /nfs/dbraw/zinc/72/47/33/1039724733.db2.gz QFHCIYZGSYTSFL-NRFANRHFSA-N 2 1 397.604 3.857 20 30 GHEDMP C[N@@H+]1CCC[C@H]([NH+]2CCC(C#N)(c3ccc(Br)cc3)CC2)CC1 ZINC001254524716 1040298618 /nfs/dbraw/zinc/29/86/18/1040298618.db2.gz YXXPTEOTUBXASL-SFHVURJKSA-N 2 1 376.342 3.791 20 30 GHEDMP C[N@H+]1CCC[C@H]([NH+]2CCC(C#N)(c3ccc(Br)cc3)CC2)CC1 ZINC001254524716 1040298628 /nfs/dbraw/zinc/29/86/28/1040298628.db2.gz YXXPTEOTUBXASL-SFHVURJKSA-N 2 1 376.342 3.791 20 30 GHEDMP N#Cc1cccc(C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001254584950 1040358114 /nfs/dbraw/zinc/35/81/14/1040358114.db2.gz BJSTXHKBGZBWMC-FUDKSRODSA-N 2 1 390.487 3.706 20 30 GHEDMP C=C[C@@H](CO)[NH2+][C@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001255068887 1040762042 /nfs/dbraw/zinc/76/20/42/1040762042.db2.gz DTELYTXMVIVISR-CXSMSNRLSA-N 2 1 376.544 3.888 20 30 GHEDMP C=C[C@@H](CO)[NH2+][C@@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001255068888 1040763711 /nfs/dbraw/zinc/76/37/11/1040763711.db2.gz DTELYTXMVIVISR-ZYQDXHPFSA-N 2 1 376.544 3.888 20 30 GHEDMP CCOCC[N@@H+](Cc1ccc(N(C)c2ccc(C#N)cc2)cc1)C1CC[NH2+]CC1 ZINC001236460077 1041722249 /nfs/dbraw/zinc/72/22/49/1041722249.db2.gz MRVRYGZSJOHDKB-UHFFFAOYSA-N 2 1 392.547 3.917 20 30 GHEDMP C[NH+]1CCN(c2cc(C[NH+]3CCC(c4cccc(C#N)c4)CC3)ccc2F)CC1 ZINC001236963399 1041971386 /nfs/dbraw/zinc/97/13/86/1041971386.db2.gz KCDANCYTHXKHPA-UHFFFAOYSA-N 2 1 392.522 3.829 20 30 GHEDMP N#Cc1cc(-c2nccc3c2CC[N@@H+](Cc2ccccc2)C3)cc(C2C[NH2+]C2)c1 ZINC001240338390 1042922389 /nfs/dbraw/zinc/92/23/89/1042922389.db2.gz UCKYCJZROWYNDL-UHFFFAOYSA-N 2 1 380.495 3.865 20 30 GHEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258142749 1044428985 /nfs/dbraw/zinc/42/89/85/1044428985.db2.gz KIVOBYKQILKDBN-VWLOTQADSA-N 2 1 395.591 3.727 20 30 GHEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@H+](C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258142749 1044428990 /nfs/dbraw/zinc/42/89/90/1044428990.db2.gz KIVOBYKQILKDBN-VWLOTQADSA-N 2 1 395.591 3.727 20 30 GHEDMP C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258141942 1044429044 /nfs/dbraw/zinc/42/90/44/1044429044.db2.gz QEHQEUSCYZIXNW-DNQXCXABSA-N 2 1 384.564 3.520 20 30 GHEDMP C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258141942 1044429048 /nfs/dbraw/zinc/42/90/48/1044429048.db2.gz QEHQEUSCYZIXNW-DNQXCXABSA-N 2 1 384.564 3.520 20 30 GHEDMP COCC[N@H+]1CCC[C@@H]1C[NH+]=C(NCc1ccc(C)cc1)Nc1ccccc1 ZINC000849074993 1057582074 /nfs/dbraw/zinc/58/20/74/1057582074.db2.gz XGRUNKUNJASODZ-JOCHJYFZSA-N 2 1 380.536 3.664 20 30 GHEDMP Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180165010 836475704 /nfs/dbraw/zinc/47/57/04/836475704.db2.gz XYBAOWXHIVAINL-QFIPXVFZSA-N 2 1 399.542 3.613 20 30 GHEDMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cccc(OCCCC#N)c3)CC2)oc1C ZINC000111412331 840827626 /nfs/dbraw/zinc/82/76/26/840827626.db2.gz AYFUVOBJYXPRQQ-UHFFFAOYSA-N 2 1 396.535 3.976 20 30 GHEDMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2sccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000156961441 840939062 /nfs/dbraw/zinc/93/90/62/840939062.db2.gz LLZHTZYMCLARKJ-XLIONFOSSA-N 2 1 396.560 3.933 20 30 GHEDMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2sccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000156961441 840939065 /nfs/dbraw/zinc/93/90/65/840939065.db2.gz LLZHTZYMCLARKJ-XLIONFOSSA-N 2 1 396.560 3.933 20 30 GHEDMP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2sccc2C#N)CC[NH+]1Cc1ccccc1 ZINC000156961441 840939069 /nfs/dbraw/zinc/93/90/69/840939069.db2.gz LLZHTZYMCLARKJ-XLIONFOSSA-N 2 1 396.560 3.933 20 30 GHEDMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2sccc2C#N)CC[NH+]1Cc1ccccc1 ZINC000156961441 840939071 /nfs/dbraw/zinc/93/90/71/840939071.db2.gz LLZHTZYMCLARKJ-XLIONFOSSA-N 2 1 396.560 3.933 20 30 GHEDMP N#Cc1ccc(C[NH+]2CCC(NC3CC[NH+](C4CCCCC4)CC3)CC2)cc1 ZINC000181849950 842925350 /nfs/dbraw/zinc/92/53/50/842925350.db2.gz BAOHCCPIDMNVRI-UHFFFAOYSA-N 2 1 380.580 3.909 20 30 GHEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000183157554 846419712 /nfs/dbraw/zinc/41/97/12/846419712.db2.gz DWXDBXPWNGJPLI-HUUCEWRRSA-N 2 1 391.475 3.940 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1OCC ZINC000414953253 852861297 /nfs/dbraw/zinc/86/12/97/852861297.db2.gz JMOBBJDLPDQZHS-CZUORRHYSA-N 2 1 383.330 3.500 20 30 GHEDMP CCN(CC)c1ccc(/C=[NH+]\C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(O)c1 ZINC000760976915 856888861 /nfs/dbraw/zinc/88/88/61/856888861.db2.gz AICLBJYVBTVTND-TXUMJUCDSA-N 2 1 395.547 3.948 20 30 GHEDMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000594447545 858179749 /nfs/dbraw/zinc/17/97/49/858179749.db2.gz YJJOJKSEIZXDAY-GBESFXJTSA-N 2 1 394.922 3.530 20 30 GHEDMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000594447545 858179752 /nfs/dbraw/zinc/17/97/52/858179752.db2.gz YJJOJKSEIZXDAY-GBESFXJTSA-N 2 1 394.922 3.530 20 30 GHEDMP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185701931 859118157 /nfs/dbraw/zinc/11/81/57/859118157.db2.gz JFSJGMDUMNTBME-RTWAWAEBSA-N 2 1 396.579 3.793 20 30 GHEDMP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185701931 859118159 /nfs/dbraw/zinc/11/81/59/859118159.db2.gz JFSJGMDUMNTBME-RTWAWAEBSA-N 2 1 396.579 3.793 20 30 GHEDMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000156932296 861016245 /nfs/dbraw/zinc/01/62/45/861016245.db2.gz UWRPZWKLWBBNDE-CVDCTZTESA-N 2 1 390.531 3.872 20 30 GHEDMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000156932296 861016254 /nfs/dbraw/zinc/01/62/54/861016254.db2.gz UWRPZWKLWBBNDE-CVDCTZTESA-N 2 1 390.531 3.872 20 30 GHEDMP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccc(C#N)cc2)CC[NH+]1Cc1ccccc1 ZINC000156932296 861016260 /nfs/dbraw/zinc/01/62/60/861016260.db2.gz UWRPZWKLWBBNDE-CVDCTZTESA-N 2 1 390.531 3.872 20 30 GHEDMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(C#N)cc2)CC[NH+]1Cc1ccccc1 ZINC000156932296 861016266 /nfs/dbraw/zinc/01/62/66/861016266.db2.gz UWRPZWKLWBBNDE-CVDCTZTESA-N 2 1 390.531 3.872 20 30 GHEDMP COc1cc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)ccc1C#N ZINC000281716248 863335372 /nfs/dbraw/zinc/33/53/72/863335372.db2.gz OYWBNTMVTDTLTH-UHFFFAOYSA-N 2 1 378.520 3.957 20 30 GHEDMP C[NH+]=C(NCc1cc(F)ccc1F)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000262427096 864111825 /nfs/dbraw/zinc/11/18/25/864111825.db2.gz RTSZGCIYRSLNHV-IFXJQAMLSA-N 2 1 392.519 3.774 20 30 GHEDMP CC[N@@H+](CCC1CC[NH+](CC(=O)N(C)C2(C#N)CCCCC2)CC1)CC1CC1 ZINC000540047017 870253875 /nfs/dbraw/zinc/25/38/75/870253875.db2.gz LGDGZPMIDRLQRD-UHFFFAOYSA-N 2 1 388.600 3.505 20 30 GHEDMP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1)c1ccc(C#N)cc1 ZINC000447546431 871820160 /nfs/dbraw/zinc/82/01/60/871820160.db2.gz VVHXWESSWXWQEF-XMMPIXPASA-N 2 1 376.548 3.937 20 30 GHEDMP C[C@H]1CCCC[N@H+]1CCC1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000478047340 872417194 /nfs/dbraw/zinc/41/71/94/872417194.db2.gz PYPXKTYRSJHJCW-WMZHIEFXSA-N 2 1 394.563 3.640 20 30 GHEDMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000478047340 872417202 /nfs/dbraw/zinc/41/72/02/872417202.db2.gz PYPXKTYRSJHJCW-WMZHIEFXSA-N 2 1 394.563 3.640 20 30 GHEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000478047340 872417211 /nfs/dbraw/zinc/41/72/11/872417211.db2.gz PYPXKTYRSJHJCW-WMZHIEFXSA-N 2 1 394.563 3.640 20 30 GHEDMP C[N@H+](CCC[NH+]1CCC(Cc2ccccc2)CC1)C[C@@H](O)c1cccc(C#N)c1 ZINC001195876850 872731645 /nfs/dbraw/zinc/73/16/45/872731645.db2.gz OIKHWSHSQVEQJH-RUZDIDTESA-N 2 1 391.559 3.868 20 30 GHEDMP C[N@@H+](CCC[NH+]1CCC(Cc2ccccc2)CC1)C[C@@H](O)c1cccc(C#N)c1 ZINC001195876850 872731653 /nfs/dbraw/zinc/73/16/53/872731653.db2.gz OIKHWSHSQVEQJH-RUZDIDTESA-N 2 1 391.559 3.868 20 30 GHEDMP C=CCC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccco1 ZINC000286178808 912608257 /nfs/dbraw/zinc/60/82/57/912608257.db2.gz QRZUHIQVFSNPBW-LEWJYISDSA-N 2 1 381.520 3.774 20 30 GHEDMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000130649242 888969502 /nfs/dbraw/zinc/96/95/02/888969502.db2.gz ICALUTVRUYZKIL-UHFFFAOYSA-N 2 1 399.564 3.744 20 30 GHEDMP Cc1[nH+]ccn1CCC[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000130649242 888969513 /nfs/dbraw/zinc/96/95/13/888969513.db2.gz ICALUTVRUYZKIL-UHFFFAOYSA-N 2 1 399.564 3.744 20 30 GHEDMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC001137119614 893573082 /nfs/dbraw/zinc/57/30/82/893573082.db2.gz ZOPDFVOMNOHBGW-AGILITTLSA-N 2 1 390.531 3.716 20 30 GHEDMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC001137119614 893573093 /nfs/dbraw/zinc/57/30/93/893573093.db2.gz ZOPDFVOMNOHBGW-AGILITTLSA-N 2 1 390.531 3.716 20 30 GHEDMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC001137119614 893573109 /nfs/dbraw/zinc/57/31/09/893573109.db2.gz ZOPDFVOMNOHBGW-AGILITTLSA-N 2 1 390.531 3.716 20 30 GHEDMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC001137119614 893573123 /nfs/dbraw/zinc/57/31/23/893573123.db2.gz ZOPDFVOMNOHBGW-AGILITTLSA-N 2 1 390.531 3.716 20 30 GHEDMP CC[N@@H+](CCC1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1)CC1CC1 ZINC000536737774 893704345 /nfs/dbraw/zinc/70/43/45/893704345.db2.gz UPEOULKHUJCXDG-UHFFFAOYSA-N 2 1 382.552 3.721 20 30 GHEDMP C=CCOC(=O)N[C@H]1CCC[NH+]([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171990723 905201090 /nfs/dbraw/zinc/20/10/90/905201090.db2.gz NFGAHYRHRUDGFR-SFTDATJTSA-N 2 1 385.552 3.806 20 30 GHEDMP C=CCOC(=O)N[C@H]1CCC[NH+]([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171990723 905201102 /nfs/dbraw/zinc/20/11/02/905201102.db2.gz NFGAHYRHRUDGFR-SFTDATJTSA-N 2 1 385.552 3.806 20 30 GHEDMP C=CCOC(=O)N[C@H]1CCC[N@@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171990723 905201117 /nfs/dbraw/zinc/20/11/17/905201117.db2.gz NFGAHYRHRUDGFR-SFTDATJTSA-N 2 1 385.552 3.806 20 30 GHEDMP C=CCOC(=O)N[C@H]1CCC[N@H+]([C@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171990723 905201130 /nfs/dbraw/zinc/20/11/30/905201130.db2.gz NFGAHYRHRUDGFR-SFTDATJTSA-N 2 1 385.552 3.806 20 30 GHEDMP C[NH+](C)CC[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)c1ccccc1 ZINC001172972399 906034725 /nfs/dbraw/zinc/03/47/25/906034725.db2.gz YBTSAUMBQAMZBR-HSALFYBXSA-N 2 1 386.540 3.561 20 30 GHEDMP C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183198456 907349563 /nfs/dbraw/zinc/34/95/63/907349563.db2.gz XYBBKPSPBFESEH-KNQAVFIVSA-N 2 1 380.580 3.765 20 30 GHEDMP C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185742355 907828953 /nfs/dbraw/zinc/82/89/53/907828953.db2.gz UMEOHFFGACTMAX-AABGKKOBSA-N 2 1 382.552 3.564 20 30 GHEDMP C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185742355 907828972 /nfs/dbraw/zinc/82/89/72/907828972.db2.gz UMEOHFFGACTMAX-AABGKKOBSA-N 2 1 382.552 3.564 20 30 GHEDMP C=CCCC[C@H](C)NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000362032321 917043257 /nfs/dbraw/zinc/04/32/57/917043257.db2.gz KWGUBQGZEMRDAZ-IBGZPJMESA-N 2 1 378.605 3.569 20 30 GHEDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC000411544617 926505435 /nfs/dbraw/zinc/50/54/35/926505435.db2.gz VHISRCALXAWTOO-HROJSSOGSA-N 2 1 390.531 3.633 20 30 GHEDMP C[C@@H](C#N)Oc1ccc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000374282168 926975000 /nfs/dbraw/zinc/97/50/00/926975000.db2.gz CROAHASNGHFHSZ-FQEVSTJZSA-N 2 1 398.595 3.606 20 30 GHEDMP C[C@@H](C#N)Oc1ccc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000374282168 926975009 /nfs/dbraw/zinc/97/50/09/926975009.db2.gz CROAHASNGHFHSZ-FQEVSTJZSA-N 3 1 398.595 3.606 20 30 GHEDMP C[C@@H](C#N)Oc1ccc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000374282168 926975018 /nfs/dbraw/zinc/97/50/18/926975018.db2.gz CROAHASNGHFHSZ-FQEVSTJZSA-N 3 1 398.595 3.606 20 30 GHEDMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)cc1 ZINC001204270331 1032713892 /nfs/dbraw/zinc/71/38/92/1032713892.db2.gz SRCNNBBSXOGNOS-HSZRJFAPSA-N 2 1 393.531 3.932 20 30 GHEDMP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000195290856 1020970155 /nfs/dbraw/zinc/97/01/55/1020970155.db2.gz FZFTXROQSFPKPF-LJQANCHMSA-N 2 1 396.535 3.733 20 30 GHEDMP [NH2+]=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1ccccc1OC(F)(F)F ZINC000195291358 1020970251 /nfs/dbraw/zinc/97/02/51/1020970251.db2.gz XAIVFOSKPQGVTO-INIZCTEOSA-N 2 1 392.425 3.834 20 30 GHEDMP C[N@H+]1CC[C@H](CNC(=[NH2+])NCCc2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000305679203 1021166014 /nfs/dbraw/zinc/16/60/14/1021166014.db2.gz MJMBHPZCCVSFCZ-YLJYHZDGSA-N 2 1 388.918 3.619 20 30 GHEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cccc(-c3nccs3)c2)CC1 ZINC001140338823 1021445204 /nfs/dbraw/zinc/44/52/04/1021445204.db2.gz GXTZIBLIPPVOOF-UHFFFAOYSA-N 2 1 382.577 3.602 20 30 GHEDMP C[C@H]1C[NH2+]CCC[C@@H]1CNc1[nH+]cc2c(c1C#N)N(Cc1ccccc1)CC2 ZINC001162461309 1025754986 /nfs/dbraw/zinc/75/49/86/1025754986.db2.gz OLJSXQWHVKKSNF-PKOBYXMFSA-N 2 1 375.520 3.564 20 30 GHEDMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(F)c(C#N)c1)CC2 ZINC001205467076 1033425709 /nfs/dbraw/zinc/42/57/09/1033425709.db2.gz HXUSTNATZCLGAD-IBGZPJMESA-N 2 1 383.467 3.546 20 30 GHEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)CC1 ZINC001208177764 1034777579 /nfs/dbraw/zinc/77/75/79/1034777579.db2.gz ZGZDNAJRHYBYFV-WXFUMESZSA-N 2 1 381.564 3.907 20 30 GHEDMP C=C(C)[C@@H]1CC=C(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)CC1 ZINC001208177764 1034777590 /nfs/dbraw/zinc/77/75/90/1034777590.db2.gz ZGZDNAJRHYBYFV-WXFUMESZSA-N 2 1 381.564 3.907 20 30 GHEDMP C=C(C)[C@@H]1CC=C(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)CC1 ZINC001208177764 1034777598 /nfs/dbraw/zinc/77/75/98/1034777598.db2.gz ZGZDNAJRHYBYFV-WXFUMESZSA-N 2 1 381.564 3.907 20 30 GHEDMP COc1cc(C#N)ccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001231620506 1034778202 /nfs/dbraw/zinc/77/82/02/1034778202.db2.gz CJZRPXCRLAHEOD-YADHBBJMSA-N 2 1 375.516 3.911 20 30 GHEDMP CCCCCCCCCCCCOCCOC[C@@H](O)C[N@@H+](C)CCCC[NH3+] ZINC001246050374 1037162661 /nfs/dbraw/zinc/16/26/61/1037162661.db2.gz GAYBFGAEMJAEFC-QFIPXVFZSA-N 2 1 388.637 3.972 20 30 GHEDMP CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001253981809 1039933815 /nfs/dbraw/zinc/93/38/15/1039933815.db2.gz RSAPDIRELDEMHD-UHFFFAOYSA-N 2 1 380.511 3.861 20 30 GHEDMP CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001253981809 1039933817 /nfs/dbraw/zinc/93/38/17/1039933817.db2.gz RSAPDIRELDEMHD-UHFFFAOYSA-N 2 1 380.511 3.861 20 30 GHEDMP CC(C)(C)OC(=O)N1CC[C@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255596500 1041155874 /nfs/dbraw/zinc/15/58/74/1041155874.db2.gz SKVLJQFIHYIBIG-ACRUOGEOSA-N 2 1 398.551 3.640 20 30 GHEDMP CCCCCCCOc1ccc(C[NH+]2CCC([C@H]([NH3+])C(=O)OC)CC2)cc1 ZINC001236065475 1041518772 /nfs/dbraw/zinc/51/87/72/1041518772.db2.gz AOBFUWRRFZFHNO-NRFANRHFSA-N 2 1 376.541 3.748 20 30 GHEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cccc(-c3ccccc3)n2)CC1 ZINC001237549052 1042260207 /nfs/dbraw/zinc/26/02/07/1042260207.db2.gz HAJDOMAEXYEVTM-UHFFFAOYSA-N 2 1 376.548 3.540 20 30 GHEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001256605981 1043569164 /nfs/dbraw/zinc/56/91/64/1043569164.db2.gz LYLCQIFACWKCSR-DNQXCXABSA-N 2 1 384.564 3.725 20 30 GHEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001256605981 1043569169 /nfs/dbraw/zinc/56/91/69/1043569169.db2.gz LYLCQIFACWKCSR-DNQXCXABSA-N 2 1 384.564 3.725 20 30 GHEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC001474553257 1074460994 /nfs/dbraw/zinc/46/09/94/1074460994.db2.gz YOIXSXKHZILHSU-ZDUSSCGKSA-N 2 1 389.849 3.621 20 30 GHEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC001474553257 1074460997 /nfs/dbraw/zinc/46/09/97/1074460997.db2.gz YOIXSXKHZILHSU-ZDUSSCGKSA-N 2 1 389.849 3.621 20 30 GHEDMP CCOCCC[N@H+]1CC[C@H](NCC#Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000246335268 834864020 /nfs/dbraw/zinc/86/40/20/834864020.db2.gz GLPHQWLWRDATPZ-PXNSSMCTSA-N 2 1 382.470 3.784 20 30 GHEDMP C[N@H+]1CCC[C@H](CNC(=[NH2+])N[C@H]2CCOc3ccccc32)[C@H]1c1cccs1 ZINC000262359436 835237273 /nfs/dbraw/zinc/23/72/73/835237273.db2.gz GNNDWAHUJLGPBZ-SYNHAJSKSA-N 2 1 384.549 3.559 20 30 GHEDMP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000510265822 837198607 /nfs/dbraw/zinc/19/86/07/837198607.db2.gz WRDUIHGRCPMXRI-INIZCTEOSA-N 2 1 390.959 3.983 20 30 GHEDMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000510265822 837198614 /nfs/dbraw/zinc/19/86/14/837198614.db2.gz WRDUIHGRCPMXRI-INIZCTEOSA-N 2 1 390.959 3.983 20 30 GHEDMP C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000610809712 844563285 /nfs/dbraw/zinc/56/32/85/844563285.db2.gz QEOLFVSTLFJTCX-CVDCTZTESA-N 2 1 389.547 3.565 20 30 GHEDMP C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000610809712 844563290 /nfs/dbraw/zinc/56/32/90/844563290.db2.gz QEOLFVSTLFJTCX-CVDCTZTESA-N 2 1 389.547 3.565 20 30 GHEDMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185685386 861196058 /nfs/dbraw/zinc/19/60/58/861196058.db2.gz FCEAJIACQGMFFN-HLLBOEOZSA-N 2 1 388.943 3.781 20 30 GHEDMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185685386 861196061 /nfs/dbraw/zinc/19/60/61/861196061.db2.gz FCEAJIACQGMFFN-HLLBOEOZSA-N 2 1 388.943 3.781 20 30 GHEDMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000512264080 843255847 /nfs/dbraw/zinc/25/58/47/843255847.db2.gz VORJSLXNTATRKD-FQEVSTJZSA-N 2 1 384.568 3.766 20 30 GHEDMP C[C@@H]1C[C@H](NC(=O)[C@H]2CC[C@H](C(=O)N[C@@H]3CC[N@@H+](C)[C@H](C)C3)CC2)CC[NH+]1C ZINC000329441863 861437017 /nfs/dbraw/zinc/43/70/17/861437017.db2.gz LCXZPZZUBOKHLD-BZIXAJQCSA-N 2 1 392.588 3.671 20 30 GHEDMP C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434756517 849743838 /nfs/dbraw/zinc/74/38/38/849743838.db2.gz NEYRNFQCCHRZDO-JOCHJYFZSA-N 2 1 395.547 3.567 20 30 GHEDMP C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506565555 853622771 /nfs/dbraw/zinc/62/27/71/853622771.db2.gz VPJUQNKOFYJXPK-MQSCRBSSSA-N 2 1 386.580 3.741 20 30 GHEDMP C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506565555 853622774 /nfs/dbraw/zinc/62/27/74/853622774.db2.gz VPJUQNKOFYJXPK-MQSCRBSSSA-N 2 1 386.580 3.741 20 30 GHEDMP C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506565555 853622779 /nfs/dbraw/zinc/62/27/79/853622779.db2.gz VPJUQNKOFYJXPK-MQSCRBSSSA-N 2 1 386.580 3.741 20 30 GHEDMP C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506565555 853622783 /nfs/dbraw/zinc/62/27/83/853622783.db2.gz VPJUQNKOFYJXPK-MQSCRBSSSA-N 2 1 386.580 3.741 20 30 GHEDMP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000481911242 862526152 /nfs/dbraw/zinc/52/61/52/862526152.db2.gz PTVSAEGPWBJSMS-XMMPIXPASA-N 2 1 375.516 3.948 20 30 GHEDMP C[NH+](C)CCC[C@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCO1 ZINC000595905377 858712114 /nfs/dbraw/zinc/71/21/14/858712114.db2.gz CTZWLNBKDRMLOV-DEOSSOPVSA-N 2 1 391.559 3.929 20 30 GHEDMP C[NH+](C)CCC[C@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCO1 ZINC000595905377 858712118 /nfs/dbraw/zinc/71/21/18/858712118.db2.gz CTZWLNBKDRMLOV-DEOSSOPVSA-N 2 1 391.559 3.929 20 30 GHEDMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000113322786 858939620 /nfs/dbraw/zinc/93/96/20/858939620.db2.gz OYHSYTXAUPLPDN-BGYRXZFFSA-N 2 1 379.552 3.921 20 30 GHEDMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000113322786 858939628 /nfs/dbraw/zinc/93/96/28/858939628.db2.gz OYHSYTXAUPLPDN-BGYRXZFFSA-N 2 1 379.552 3.921 20 30 GHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OC)c(OCc3cccnc3)c2)CC1 ZINC000106245520 859587044 /nfs/dbraw/zinc/58/70/44/859587044.db2.gz QHQNPXODKMECSS-UHFFFAOYSA-N 2 1 381.520 3.799 20 30 GHEDMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCc4cc(C#N)ccc43)cc2)CC1 ZINC000611390666 859735010 /nfs/dbraw/zinc/73/50/10/859735010.db2.gz NMAFUFBHVASYFO-RUZDIDTESA-N 2 1 388.559 3.863 20 30 GHEDMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611392301 859735175 /nfs/dbraw/zinc/73/51/75/859735175.db2.gz QHIQRAJUCHGZJS-DEOSSOPVSA-N 2 1 393.531 3.682 20 30 GHEDMP Cn1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000192935187 860268579 /nfs/dbraw/zinc/26/85/79/860268579.db2.gz OFHMOEXWXVKVBV-OAQYLSRUSA-N 2 1 385.515 3.570 20 30 GHEDMP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(F)c(C#N)c3)C2)ccn1 ZINC000856599636 881575923 /nfs/dbraw/zinc/57/59/23/881575923.db2.gz LTUKWTOPUHKGRD-NRFANRHFSA-N 2 1 382.483 3.586 20 30 GHEDMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(F)c(C#N)c3)C2)ccn1 ZINC000856599636 881575941 /nfs/dbraw/zinc/57/59/41/881575941.db2.gz LTUKWTOPUHKGRD-NRFANRHFSA-N 2 1 382.483 3.586 20 30 GHEDMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)ccn1 ZINC000856599636 881575963 /nfs/dbraw/zinc/57/59/63/881575963.db2.gz LTUKWTOPUHKGRD-NRFANRHFSA-N 2 1 382.483 3.586 20 30 GHEDMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)ccn1 ZINC000856599636 881575982 /nfs/dbraw/zinc/57/59/82/881575982.db2.gz LTUKWTOPUHKGRD-NRFANRHFSA-N 2 1 382.483 3.586 20 30 GHEDMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000156931964 861015797 /nfs/dbraw/zinc/01/57/97/861015797.db2.gz UWRPZWKLWBBNDE-AUSIDOKSSA-N 2 1 390.531 3.872 20 30 GHEDMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000156931964 861015815 /nfs/dbraw/zinc/01/58/15/861015815.db2.gz UWRPZWKLWBBNDE-AUSIDOKSSA-N 2 1 390.531 3.872 20 30 GHEDMP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccc(C#N)cc2)CC[NH+]1Cc1ccccc1 ZINC000156931964 861015837 /nfs/dbraw/zinc/01/58/37/861015837.db2.gz UWRPZWKLWBBNDE-AUSIDOKSSA-N 2 1 390.531 3.872 20 30 GHEDMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccc(C#N)cc2)CC[NH+]1Cc1ccccc1 ZINC000156931964 861015843 /nfs/dbraw/zinc/01/58/43/861015843.db2.gz UWRPZWKLWBBNDE-AUSIDOKSSA-N 2 1 390.531 3.872 20 30 GHEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000183145843 866255119 /nfs/dbraw/zinc/25/51/19/866255119.db2.gz GZIQUVASMKOKGX-CQSZACIVSA-N 2 1 393.878 3.995 20 30 GHEDMP COc1cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000152472240 878673236 /nfs/dbraw/zinc/67/32/36/878673236.db2.gz ZLPKBZNYYIJAHW-JOCHJYFZSA-N 2 1 393.531 3.919 20 30 GHEDMP COc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000152472240 878673248 /nfs/dbraw/zinc/67/32/48/878673248.db2.gz ZLPKBZNYYIJAHW-JOCHJYFZSA-N 2 1 393.531 3.919 20 30 GHEDMP COc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000152472240 878673257 /nfs/dbraw/zinc/67/32/57/878673257.db2.gz ZLPKBZNYYIJAHW-JOCHJYFZSA-N 2 1 393.531 3.919 20 30 GHEDMP COc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000152472240 878673267 /nfs/dbraw/zinc/67/32/67/878673267.db2.gz ZLPKBZNYYIJAHW-JOCHJYFZSA-N 2 1 393.531 3.919 20 30 GHEDMP COc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1OCCCC#N ZINC000245686206 889225735 /nfs/dbraw/zinc/22/57/35/889225735.db2.gz AIKRRADRKLQLCD-FPOVZHCZSA-N 2 1 383.536 3.826 20 30 GHEDMP COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1OCCCC#N ZINC000245686206 889225725 /nfs/dbraw/zinc/22/57/25/889225725.db2.gz AIKRRADRKLQLCD-FPOVZHCZSA-N 2 1 383.536 3.826 20 30 GHEDMP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1OCCCC#N ZINC000245686206 889225744 /nfs/dbraw/zinc/22/57/44/889225744.db2.gz AIKRRADRKLQLCD-FPOVZHCZSA-N 2 1 383.536 3.826 20 30 GHEDMP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1OCCCC#N ZINC000245686206 889225752 /nfs/dbraw/zinc/22/57/52/889225752.db2.gz AIKRRADRKLQLCD-FPOVZHCZSA-N 2 1 383.536 3.826 20 30 GHEDMP C#CCOc1cccc(Cl)c1C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000778167246 893018257 /nfs/dbraw/zinc/01/82/57/893018257.db2.gz DNDCZHLUNDZAHG-UHFFFAOYSA-N 2 1 398.934 3.599 20 30 GHEDMP COC(=O)c1ccc(C(=[NH2+])Nc2ccc3[nH]cc(CC[NH+]4CCCC4)c3c2)cc1 ZINC001170985341 898313183 /nfs/dbraw/zinc/31/31/83/898313183.db2.gz QXWOOFMKBBRYCF-UHFFFAOYSA-N 2 1 390.487 3.630 20 30 GHEDMP CN(c1ccccc1C[N@H+](C)Cc1cc(C#N)ccc1F)C1CC[NH+](C)CC1 ZINC000155409307 898735425 /nfs/dbraw/zinc/73/54/25/898735425.db2.gz OVLXFVSKUKWFNQ-UHFFFAOYSA-N 2 1 380.511 3.860 20 30 GHEDMP CN(c1ccccc1C[N@@H+](C)Cc1cc(C#N)ccc1F)C1CC[NH+](C)CC1 ZINC000155409307 898735438 /nfs/dbraw/zinc/73/54/38/898735438.db2.gz OVLXFVSKUKWFNQ-UHFFFAOYSA-N 2 1 380.511 3.860 20 30 GHEDMP C=CCOCc1nn([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c2c1C[NH2+]C2 ZINC001171979804 905227914 /nfs/dbraw/zinc/22/79/14/905227914.db2.gz GFXKXUIYYXTQHO-IBGZPJMESA-N 2 1 380.536 3.805 20 30 GHEDMP C=CCOC(=O)N[C@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172090931 905313104 /nfs/dbraw/zinc/31/31/04/905313104.db2.gz XXBGVNJVZAFPAC-GPJHCHHRSA-N 2 1 397.563 3.949 20 30 GHEDMP C=CCOC(=O)N[C@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172090931 905313112 /nfs/dbraw/zinc/31/31/12/905313112.db2.gz XXBGVNJVZAFPAC-GPJHCHHRSA-N 2 1 397.563 3.949 20 30 GHEDMP C=CCOC(=O)N[C@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172090931 905313122 /nfs/dbraw/zinc/31/31/22/905313122.db2.gz XXBGVNJVZAFPAC-GPJHCHHRSA-N 2 1 397.563 3.949 20 30 GHEDMP C=CCOC(=O)N[C@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172090931 905313134 /nfs/dbraw/zinc/31/31/34/905313134.db2.gz XXBGVNJVZAFPAC-GPJHCHHRSA-N 2 1 397.563 3.949 20 30 GHEDMP CC(=O)n1ccc2cc(C[C@H](C)[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)cc(C#N)c21 ZINC001172118634 905376259 /nfs/dbraw/zinc/37/62/59/905376259.db2.gz SQQSDUKBWDXLQM-NUXXPKPISA-N 2 1 378.520 3.709 20 30 GHEDMP CC(=O)n1ccc2cc(C[C@H](C)[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)cc(C#N)c21 ZINC001172118634 905376275 /nfs/dbraw/zinc/37/62/75/905376275.db2.gz SQQSDUKBWDXLQM-NUXXPKPISA-N 2 1 378.520 3.709 20 30 GHEDMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173434821 906469914 /nfs/dbraw/zinc/46/99/14/906469914.db2.gz QZHQMXIXAIYMEC-XZOQPEGZSA-N 2 1 394.563 3.502 20 30 GHEDMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173434821 906469923 /nfs/dbraw/zinc/46/99/23/906469923.db2.gz QZHQMXIXAIYMEC-XZOQPEGZSA-N 2 1 394.563 3.502 20 30 GHEDMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173434821 906469929 /nfs/dbraw/zinc/46/99/29/906469929.db2.gz QZHQMXIXAIYMEC-XZOQPEGZSA-N 2 1 394.563 3.502 20 30 GHEDMP C[C@@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1cccc(C#N)c1 ZINC000181677325 907055179 /nfs/dbraw/zinc/05/51/79/907055179.db2.gz QKXFVACVLHQHNG-LJQANCHMSA-N 2 1 393.531 3.899 20 30 GHEDMP CN(CCC#N)c1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000093336930 912204244 /nfs/dbraw/zinc/20/42/44/912204244.db2.gz ZXWCXPYFLFWAJZ-QHCPKHFHSA-N 2 1 376.548 3.990 20 30 GHEDMP CN(CCC#N)c1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000093336930 912204255 /nfs/dbraw/zinc/20/42/55/912204255.db2.gz ZXWCXPYFLFWAJZ-QHCPKHFHSA-N 2 1 376.548 3.990 20 30 GHEDMP CN(CCC#N)c1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000093336930 912204279 /nfs/dbraw/zinc/20/42/79/912204279.db2.gz ZXWCXPYFLFWAJZ-QHCPKHFHSA-N 2 1 376.548 3.990 20 30 GHEDMP COc1ccc(OC)c(NC(=[NH2+])NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000303887998 915298103 /nfs/dbraw/zinc/29/81/03/915298103.db2.gz LBXWOMJMQMCCRC-QGZVFWFLSA-N 2 1 396.535 3.863 20 30 GHEDMP C=CCCCCC[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCOC ZINC001221411688 1032403954 /nfs/dbraw/zinc/40/39/54/1032403954.db2.gz GWMPIVODZFUNGK-PMACEKPBSA-N 2 1 395.975 3.539 20 30 GHEDMP C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000926754841 1017310927 /nfs/dbraw/zinc/31/09/27/1017310927.db2.gz SGZYRXXLAOUTMA-RBUKOAKNSA-N 2 1 392.588 3.627 20 30 GHEDMP Cc1[nH+]ccn1CCC[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932951746 1018782616 /nfs/dbraw/zinc/78/26/16/1018782616.db2.gz ZJWYOQTZQPAUOB-GHMZBOCLSA-N 2 1 391.306 3.684 20 30 GHEDMP C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1ccccc1-n1cc[nH+]c1C)CCO2 ZINC001140026546 1026814365 /nfs/dbraw/zinc/81/43/65/1026814365.db2.gz ZSEHEUQGWSXLIY-JTHBVZDNSA-N 2 1 381.520 3.754 20 30 GHEDMP C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1ccccc1-n1cc[nH+]c1C)CCO2 ZINC001140026546 1026814369 /nfs/dbraw/zinc/81/43/69/1026814369.db2.gz ZSEHEUQGWSXLIY-JTHBVZDNSA-N 2 1 381.520 3.754 20 30 GHEDMP COC[C@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+](Cc1ccc(C#N)cc1)CC2 ZINC001203902869 1027696904 /nfs/dbraw/zinc/69/69/04/1027696904.db2.gz MSBPDWZFEYHTEG-HXUWFJFHSA-N 2 1 396.560 3.518 20 30 GHEDMP COC[C@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](Cc1ccc(C#N)cc1)CC2 ZINC001203902869 1027696911 /nfs/dbraw/zinc/69/69/11/1027696911.db2.gz MSBPDWZFEYHTEG-HXUWFJFHSA-N 2 1 396.560 3.518 20 30 GHEDMP C=CCN(CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001207204013 1034173060 /nfs/dbraw/zinc/17/30/60/1034173060.db2.gz YSWJHCWMBHXUBK-NRFANRHFSA-N 2 1 387.568 3.863 20 30 GHEDMP C=CCN(CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001207204013 1034173069 /nfs/dbraw/zinc/17/30/69/1034173069.db2.gz YSWJHCWMBHXUBK-NRFANRHFSA-N 2 1 387.568 3.863 20 30 GHEDMP C=CCN(CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001207204013 1034173079 /nfs/dbraw/zinc/17/30/79/1034173079.db2.gz YSWJHCWMBHXUBK-NRFANRHFSA-N 2 1 387.568 3.863 20 30 GHEDMP C=CCN(CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001207204013 1034173085 /nfs/dbraw/zinc/17/30/85/1034173085.db2.gz YSWJHCWMBHXUBK-NRFANRHFSA-N 2 1 387.568 3.863 20 30 GHEDMP C=C1C[NH2+][C@](C)(C(=O)N(Cc2ccccc2)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001160684649 1035035446 /nfs/dbraw/zinc/03/54/46/1035035446.db2.gz XVAONZVSWWOUMK-NOZRDPDXSA-N 2 1 389.543 3.598 20 30 GHEDMP C=CCCCC[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCc2ccccn2)C1 ZINC001209201040 1035206713 /nfs/dbraw/zinc/20/67/13/1035206713.db2.gz UDSOHVVDXMRITI-UPVQGACJSA-N 2 1 383.580 3.988 20 30 GHEDMP C=CCCCC[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1ccccn1 ZINC001209201040 1035206717 /nfs/dbraw/zinc/20/67/17/1035206717.db2.gz UDSOHVVDXMRITI-UPVQGACJSA-N 2 1 383.580 3.988 20 30 GHEDMP C=CCCCC[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1ccccn1 ZINC001209201040 1035206719 /nfs/dbraw/zinc/20/67/19/1035206719.db2.gz UDSOHVVDXMRITI-UPVQGACJSA-N 2 1 383.580 3.988 20 30 GHEDMP C=CCOC(=O)N1CCCC2(CC[NH+]([C@H]3CC[NH2+][C@@H](c4ccccc4)C3)CC2)C1 ZINC001246527202 1037460125 /nfs/dbraw/zinc/46/01/25/1037460125.db2.gz SROIHFMXSOSIMM-FCHUYYIVSA-N 2 1 397.563 3.980 20 30 GHEDMP N#Cc1cccc(O[C@@H]2CCC[N@H+]([C@@H]3CC[NH2+][C@H](Cc4ccccc4)C3)C2)c1 ZINC001246847903 1037673393 /nfs/dbraw/zinc/67/33/93/1037673393.db2.gz YVYYEMOTHMFNRV-CQOQZXRMSA-N 2 1 375.516 3.765 20 30 GHEDMP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CC[C@@H](C(C#N)(c2ccccc2)c2ccccc2)C1 ZINC001253193756 1039469385 /nfs/dbraw/zinc/46/93/85/1039469385.db2.gz IUKHEJUSJLDETQ-DNQXCXABSA-N 2 1 391.559 3.521 20 30 GHEDMP CC[NH+](CC)C[C@@H](O)C[N@H+]1CC[C@@H](C(C#N)(c2ccccc2)c2ccccc2)C1 ZINC001253193756 1039469399 /nfs/dbraw/zinc/46/93/99/1039469399.db2.gz IUKHEJUSJLDETQ-DNQXCXABSA-N 2 1 391.559 3.521 20 30 GHEDMP C=CCCCCCC[C@H](O)C[NH2+][C@H]1CC[C@H](N2CC[NH+](CC3CC3)CC2)CC1 ZINC001253250932 1039502758 /nfs/dbraw/zinc/50/27/58/1039502758.db2.gz FXQTUCJGKRMHON-HJOGWXRNSA-N 2 1 391.644 3.802 20 30 GHEDMP C=CCN1C(=O)CCC12CC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC001255143450 1040855558 /nfs/dbraw/zinc/85/55/58/1040855558.db2.gz WKNDHPACGQIQGK-NUNAXRQHSA-N 2 1 393.575 3.825 20 30 GHEDMP CC(C)(C)OC(=O)N1CC[C@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255593660 1041152681 /nfs/dbraw/zinc/15/26/81/1041152681.db2.gz HBGIWARKMNFIKK-ACRUOGEOSA-N 2 1 398.551 3.640 20 30 GHEDMP N#Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)C1 ZINC001235968223 1041473458 /nfs/dbraw/zinc/47/34/58/1041473458.db2.gz GFMFBXHINKEOSS-OAQYLSRUSA-N 2 1 386.499 3.660 20 30 GHEDMP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC001236314798 1041668859 /nfs/dbraw/zinc/66/88/59/1041668859.db2.gz OCSCXCSIBQNUDX-HTAPYJJXSA-N 2 1 394.469 3.923 20 30 GHEDMP N#CC1(c2ccccc2-c2ccc(C3([NH+]4CCOCC4)CC3)cc2)CC[NH2+]CC1 ZINC001240868449 1042960992 /nfs/dbraw/zinc/96/09/92/1042960992.db2.gz JJBICATYPDASQC-UHFFFAOYSA-N 2 1 387.527 3.820 20 30 GHEDMP CCCCCCCCC[C@H](C)[N@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001258228915 1044479328 /nfs/dbraw/zinc/47/93/28/1044479328.db2.gz LGZZSGBCFZGEFT-SFHVURJKSA-N 2 1 392.588 3.853 20 30 GHEDMP C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001308339166 1049952925 /nfs/dbraw/zinc/95/29/25/1049952925.db2.gz XCUJQLPPIFVKDQ-KRWDZBQOSA-N 2 1 393.369 3.919 20 30 GHEDMP C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001308339166 1049952929 /nfs/dbraw/zinc/95/29/29/1049952929.db2.gz XCUJQLPPIFVKDQ-KRWDZBQOSA-N 2 1 393.369 3.919 20 30 GHEDMP N#Cc1ccc([C@@H](O)C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001327991496 1050347568 /nfs/dbraw/zinc/34/75/68/1050347568.db2.gz HBUWLWWCXTWQCZ-NHYNNZIHSA-N 2 1 375.516 3.767 20 30 GHEDMP Cc1[nH+]c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)ccc1CC#N ZINC001165029667 721825931 /nfs/dbraw/zinc/82/59/31/721825931.db2.gz XLCVZDDERLGXRN-BVSLBCMMSA-N 2 1 375.520 3.588 20 30 GHEDMP Cc1[nH+]c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)ccc1CC#N ZINC001165029667 721825932 /nfs/dbraw/zinc/82/59/32/721825932.db2.gz XLCVZDDERLGXRN-BVSLBCMMSA-N 2 1 375.520 3.588 20 30 GHEDMP C[NH+](C)[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000573184527 835888574 /nfs/dbraw/zinc/88/85/74/835888574.db2.gz OXYYSUCOKZNQNF-INIZCTEOSA-N 2 1 388.581 3.633 20 30 GHEDMP C[NH+](C)[C@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000573184527 835888580 /nfs/dbraw/zinc/88/85/80/835888580.db2.gz OXYYSUCOKZNQNF-INIZCTEOSA-N 2 1 388.581 3.633 20 30 GHEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185698844 861210578 /nfs/dbraw/zinc/21/05/78/861210578.db2.gz JMDUGYRVZUHORS-CEXWTWQISA-N 2 1 389.609 3.894 20 30 GHEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185698844 861210587 /nfs/dbraw/zinc/21/05/87/861210587.db2.gz JMDUGYRVZUHORS-CEXWTWQISA-N 2 1 389.609 3.894 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1OC ZINC000623654825 861298774 /nfs/dbraw/zinc/29/87/74/861298774.db2.gz JZRHACHUMUPGEK-HNNXBMFYSA-N 2 1 397.357 3.844 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1OC ZINC000623654825 861298791 /nfs/dbraw/zinc/29/87/91/861298791.db2.gz JZRHACHUMUPGEK-HNNXBMFYSA-N 2 1 397.357 3.844 20 30 GHEDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)C(=O)Nc1ccccc1C#N ZINC000249778980 855543464 /nfs/dbraw/zinc/54/34/64/855543464.db2.gz YBUZWCRYCLFWOJ-RBUKOAKNSA-N 2 1 390.531 3.907 20 30 GHEDMP C=CC[NH+]1CCC(NC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000592484780 856893952 /nfs/dbraw/zinc/89/39/52/856893952.db2.gz QEDAXBWMOSGXDZ-IBGZPJMESA-N 2 1 384.568 3.511 20 30 GHEDMP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594927157 858306934 /nfs/dbraw/zinc/30/69/34/858306934.db2.gz YMPBMHUHOGNEAA-UHFFFAOYSA-N 2 1 388.559 3.669 20 30 GHEDMP N#Cc1ccc2ncc(C[NH2+]C[C@@H]3C[N@@H+](Cc4ccccc4)CC34CCC4)n2c1 ZINC000595001213 858362740 /nfs/dbraw/zinc/36/27/40/858362740.db2.gz RTUAZPDXZQIVFA-OAQYLSRUSA-N 2 1 385.515 3.598 20 30 GHEDMP Cn1cc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000611497737 859785703 /nfs/dbraw/zinc/78/57/03/859785703.db2.gz FTYHQIAHNQFYKL-JOCHJYFZSA-N 2 1 399.542 3.961 20 30 GHEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000602718363 860228687 /nfs/dbraw/zinc/22/86/87/860228687.db2.gz NIQNJKLIEMBZQO-UNMCSNQZSA-N 2 1 381.564 3.977 20 30 GHEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898518695 864078861 /nfs/dbraw/zinc/07/88/61/864078861.db2.gz JMBIPUZHKHZWGS-XBYSBRQOSA-N 2 1 381.564 3.976 20 30 GHEDMP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000171387102 865236051 /nfs/dbraw/zinc/23/60/51/865236051.db2.gz GHLZAEAYRKQGFZ-NRFANRHFSA-N 2 1 396.579 3.746 20 30 GHEDMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000524184671 868674289 /nfs/dbraw/zinc/67/42/89/868674289.db2.gz NGVIRFTWDXPUIR-GOSISDBHSA-N 2 1 388.531 3.513 20 30 GHEDMP CC[N@@H+](CCC1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1)CC1CC1 ZINC000538951085 870962314 /nfs/dbraw/zinc/96/23/14/870962314.db2.gz UIWJCLNUXPBWEN-UHFFFAOYSA-N 2 1 382.552 3.721 20 30 GHEDMP COC1CC[NH+](C2(C[NH2+]C3CCN(c4ccc(C#N)cc4)CC3)CCCC2)CC1 ZINC000552043712 871925040 /nfs/dbraw/zinc/92/50/40/871925040.db2.gz ZVTKAARPGNGBOT-UHFFFAOYSA-N 2 1 396.579 3.540 20 30 GHEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CCC(CC[N@H+](CC)CC(C)C)CC2)CC1 ZINC000538070362 878796344 /nfs/dbraw/zinc/79/63/44/878796344.db2.gz IIWFOBIBQXVMJN-UHFFFAOYSA-N 2 1 392.632 3.817 20 30 GHEDMP N#Cc1cccc(OCCC[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001170206188 881208156 /nfs/dbraw/zinc/20/81/56/881208156.db2.gz SFFJKWONUIFVJW-DEOSSOPVSA-N 2 1 375.516 3.925 20 30 GHEDMP N#Cc1cccc(OCCC[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC001170206188 881208169 /nfs/dbraw/zinc/20/81/69/881208169.db2.gz SFFJKWONUIFVJW-DEOSSOPVSA-N 2 1 375.516 3.925 20 30 GHEDMP N#Cc1cccc(OCCC[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC001170206188 881208175 /nfs/dbraw/zinc/20/81/75/881208175.db2.gz SFFJKWONUIFVJW-DEOSSOPVSA-N 2 1 375.516 3.925 20 30 GHEDMP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1 ZINC000556690425 885912706 /nfs/dbraw/zinc/91/27/06/885912706.db2.gz VNYQAJZZMXOHDD-UHFFFAOYSA-N 2 1 390.959 3.639 20 30 GHEDMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1 ZINC000556690425 885912721 /nfs/dbraw/zinc/91/27/21/885912721.db2.gz VNYQAJZZMXOHDD-UHFFFAOYSA-N 2 1 390.959 3.639 20 30 GHEDMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cccc(OCCCC#N)c3)c2)CCO1 ZINC000237424700 891720561 /nfs/dbraw/zinc/72/05/61/891720561.db2.gz JIWIJBAIOVBPOZ-HXUWFJFHSA-N 2 1 393.531 3.880 20 30 GHEDMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cccc(OCCCC#N)c3)c2)CCO1 ZINC000237424700 891720576 /nfs/dbraw/zinc/72/05/76/891720576.db2.gz JIWIJBAIOVBPOZ-HXUWFJFHSA-N 2 1 393.531 3.880 20 30 GHEDMP C=CCOCc1nn([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c2c1C[NH2+]C2 ZINC001171979811 905229581 /nfs/dbraw/zinc/22/95/81/905229581.db2.gz GFXKXUIYYXTQHO-LJQANCHMSA-N 2 1 380.536 3.805 20 30 GHEDMP C=CCOc1cccc(C[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)c1 ZINC001177222810 908472367 /nfs/dbraw/zinc/47/23/67/908472367.db2.gz QDILMRWNFYFIJK-XMMPIXPASA-N 2 1 379.548 3.720 20 30 GHEDMP C[C@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000303895164 915300960 /nfs/dbraw/zinc/30/09/60/915300960.db2.gz TUGFNXLXQUEZIK-CQSZACIVSA-N 2 1 392.425 3.759 20 30 GHEDMP C[C@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)[N@H+]1CCc2ccccc2C1 ZINC000303895164 915300982 /nfs/dbraw/zinc/30/09/82/915300982.db2.gz TUGFNXLXQUEZIK-CQSZACIVSA-N 2 1 392.425 3.759 20 30 GHEDMP CCOc1ccc(OCC)c(NC(=[NH2+])NCCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000303896637 915302955 /nfs/dbraw/zinc/30/29/55/915302955.db2.gz QBSXFSIIYGAJAO-KRWDZBQOSA-N 2 1 376.545 3.723 20 30 GHEDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000304499666 915526277 /nfs/dbraw/zinc/52/62/77/915526277.db2.gz RDEDUKDGAFPVFS-XMSQKQJNSA-N 2 1 392.547 3.847 20 30 GHEDMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])NCC2CCC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000304764536 915700303 /nfs/dbraw/zinc/70/03/03/915700303.db2.gz YCEURCSWMFIORJ-WMZOPIPTSA-N 2 1 382.474 3.793 20 30 GHEDMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000411399806 926365912 /nfs/dbraw/zinc/36/59/12/926365912.db2.gz MLHLJKAWSNOQDI-HNNXBMFYSA-N 2 1 399.564 3.600 20 30 GHEDMP Cc1[nH+]ccn1CCC[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000411399806 926365920 /nfs/dbraw/zinc/36/59/20/926365920.db2.gz MLHLJKAWSNOQDI-HNNXBMFYSA-N 2 1 399.564 3.600 20 30 GHEDMP C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000924680711 931472978 /nfs/dbraw/zinc/47/29/78/931472978.db2.gz HZIAJQOYBAKSDA-GUDVDZBRSA-N 2 1 390.572 3.522 20 30 GHEDMP C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000924680711 931472980 /nfs/dbraw/zinc/47/29/80/931472980.db2.gz HZIAJQOYBAKSDA-GUDVDZBRSA-N 2 1 390.572 3.522 20 30 GHEDMP N#Cc1cc(Cl)nc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1 ZINC001155358128 1032516927 /nfs/dbraw/zinc/51/69/27/1032516927.db2.gz OZIPUNUFZLJDEH-LJQANCHMSA-N 2 1 395.938 3.520 20 30 GHEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)CC1 ZINC000579344296 1020408256 /nfs/dbraw/zinc/40/82/56/1020408256.db2.gz XWKMJHFJJZZLGM-ZCYQVOJMSA-N 2 1 394.559 3.702 20 30 GHEDMP C=CCc1cccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c1O ZINC001138627133 1025125702 /nfs/dbraw/zinc/12/57/02/1025125702.db2.gz XUGFWMQBNOFACN-NRFANRHFSA-N 2 1 396.531 3.969 20 30 GHEDMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)cc1 ZINC001138773381 1025345441 /nfs/dbraw/zinc/34/54/41/1025345441.db2.gz BVGJOPWWWVJCRA-HSZRJFAPSA-N 2 1 379.504 3.542 20 30 GHEDMP N#Cc1cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)ncc1Cl ZINC001162928277 1025969847 /nfs/dbraw/zinc/96/98/47/1025969847.db2.gz IGWNEVGFNQGLKA-LJQANCHMSA-N 2 1 395.938 3.520 20 30 GHEDMP N#Cc1c[nH]c2cc(NC[C@@H]3C[N@@H+](Cc4ccccc4)CC34CC[NH2+]CC4)ccc12 ZINC001162935847 1025973666 /nfs/dbraw/zinc/97/36/66/1025973666.db2.gz WONRYQPWEQWVGG-OAQYLSRUSA-N 2 1 399.542 3.953 20 30 GHEDMP N#Cc1ccnc(-c2ccc(C[N@H+]3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)cc2)c1 ZINC001222602578 1030228105 /nfs/dbraw/zinc/22/81/05/1030228105.db2.gz UGUPVPCSLDHTOR-QHCPKHFHSA-N 2 1 380.495 3.809 20 30 GHEDMP C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001207291532 1034243747 /nfs/dbraw/zinc/24/37/47/1034243747.db2.gz RLQJAMBGEMKWEC-RPWUZVMVSA-N 2 1 384.564 3.725 20 30 GHEDMP C=CC[N@H+]1CCC[C@H]1CNc1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC001160957842 1035105435 /nfs/dbraw/zinc/10/54/35/1035105435.db2.gz WHWWJJZFYHHOJT-KRWDZBQOSA-N 2 1 385.581 3.966 20 30 GHEDMP C=CC[N@@H+]1CCC[C@H]1CNc1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC001160957842 1035105440 /nfs/dbraw/zinc/10/54/40/1035105440.db2.gz WHWWJJZFYHHOJT-KRWDZBQOSA-N 2 1 385.581 3.966 20 30 GHEDMP N#Cc1cccc(O[C@H]2CCC[N@@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001208954999 1035127638 /nfs/dbraw/zinc/12/76/38/1035127638.db2.gz XOFCYHOZJBMLOH-UPVQGACJSA-N 2 1 375.516 3.924 20 30 GHEDMP N#Cc1cccc(O[C@H]2CCC[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC001208954999 1035127644 /nfs/dbraw/zinc/12/76/44/1035127644.db2.gz XOFCYHOZJBMLOH-UPVQGACJSA-N 2 1 375.516 3.924 20 30 GHEDMP N#Cc1cccc(O[C@H]2CCC[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC001208954999 1035127650 /nfs/dbraw/zinc/12/76/50/1035127650.db2.gz XOFCYHOZJBMLOH-UPVQGACJSA-N 2 1 375.516 3.924 20 30 GHEDMP C=CCCCCCC[C@@H](O)C[NH2+]CCCC[C@@H]([NH3+])C(=O)OCc1ccccc1 ZINC001246014589 1037132974 /nfs/dbraw/zinc/13/29/74/1037132974.db2.gz VPECEYVPFICHSC-FGZHOGPDSA-N 2 1 390.568 3.705 20 30 GHEDMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(C#N)s1)CC2 ZINC001232843493 1038594631 /nfs/dbraw/zinc/59/46/31/1038594631.db2.gz YXPPCVUMITXLNQ-IBGZPJMESA-N 2 1 381.545 3.875 20 30 GHEDMP CCCCCCCC[C@H](O)C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COC)C1 ZINC001252126251 1038874645 /nfs/dbraw/zinc/87/46/45/1038874645.db2.gz OIAGCGCIMYLOOV-VJBWXMMDSA-N 2 1 380.617 3.778 20 30 GHEDMP CCCCCCCC[C@H](O)C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001252126251 1038874670 /nfs/dbraw/zinc/87/46/70/1038874670.db2.gz OIAGCGCIMYLOOV-VJBWXMMDSA-N 2 1 380.617 3.778 20 30 GHEDMP CCCCCCCC[C@H](O)C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001252126251 1038874695 /nfs/dbraw/zinc/87/46/95/1038874695.db2.gz OIAGCGCIMYLOOV-VJBWXMMDSA-N 2 1 380.617 3.778 20 30 GHEDMP N#Cc1ccc(Oc2ccc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cn2)cc1 ZINC001235426411 1040927752 /nfs/dbraw/zinc/92/77/52/1040927752.db2.gz KUERMKCCFIFJNM-RTWAWAEBSA-N 2 1 376.504 3.957 20 30 GHEDMP N#CC1(c2ccc(Br)cc2)CC[NH+](CC[C@@H]2CCCC[NH2+]2)CC1 ZINC001235758379 1041248344 /nfs/dbraw/zinc/24/83/44/1041248344.db2.gz FIQBDGUMNFBAJV-SFHVURJKSA-N 2 1 376.342 3.838 20 30 GHEDMP CC1(N2CC[NH+](Cc3ccc(Oc4ccc(C#N)cc4)cc3)CC2)CC[NH2+]CC1 ZINC001235816214 1041329876 /nfs/dbraw/zinc/32/98/76/1041329876.db2.gz RYGAMEHPDTWJKF-UHFFFAOYSA-N 2 1 390.531 3.610 20 30 GHEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[NH+]([C@@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256552002 1043516594 /nfs/dbraw/zinc/51/65/94/1043516594.db2.gz WTKIGOBMLMFCGC-CAUSLRQDSA-N 2 1 384.564 3.866 20 30 GHEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[NH+]([C@@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256552002 1043516607 /nfs/dbraw/zinc/51/66/07/1043516607.db2.gz WTKIGOBMLMFCGC-CAUSLRQDSA-N 2 1 384.564 3.866 20 30 GHEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H]1CC[NH+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256552002 1043516619 /nfs/dbraw/zinc/51/66/19/1043516619.db2.gz WTKIGOBMLMFCGC-CAUSLRQDSA-N 2 1 384.564 3.866 20 30 GHEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H]1CC[NH+](Cc3ccccc3)[C@H](C)C1)C2 ZINC001256552002 1043516627 /nfs/dbraw/zinc/51/66/27/1043516627.db2.gz WTKIGOBMLMFCGC-CAUSLRQDSA-N 2 1 384.564 3.866 20 30 GHEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258141945 1044429125 /nfs/dbraw/zinc/42/91/25/1044429125.db2.gz QEHQEUSCYZIXNW-ZEQRLZLVSA-N 2 1 384.564 3.520 20 30 GHEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258141945 1044429128 /nfs/dbraw/zinc/42/91/28/1044429128.db2.gz QEHQEUSCYZIXNW-ZEQRLZLVSA-N 2 1 384.564 3.520 20 30 GHEDMP C=CCOC(=O)N1CCC2(CCC[N@H+]([C@H](C)CCC[NH+](CC)CC)C2)CC1 ZINC001258908572 1044861738 /nfs/dbraw/zinc/86/17/38/1044861738.db2.gz XNXOKRVNGHPKCF-HXUWFJFHSA-N 2 1 379.589 3.998 20 30 GHEDMP N#Cc1ccccc1OCCN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001459653128 1064154687 /nfs/dbraw/zinc/15/46/87/1064154687.db2.gz HCBWIELHQGNDHY-DHIUTWEWSA-N 2 1 375.516 3.924 20 30 GHEDMP Cc1ccc(CC#N)c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)[nH+]1 ZINC001164838983 720716858 /nfs/dbraw/zinc/71/68/58/720716858.db2.gz JTFWTLNLXUKAKS-JOCHJYFZSA-N 2 1 390.531 3.716 20 30 GHEDMP Cc1ccc(CC#N)c(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)[nH+]1 ZINC001164838983 720716865 /nfs/dbraw/zinc/71/68/65/720716865.db2.gz JTFWTLNLXUKAKS-JOCHJYFZSA-N 2 1 390.531 3.716 20 30 GHEDMP C[NH+](C)[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000573184528 835888845 /nfs/dbraw/zinc/88/88/45/835888845.db2.gz OXYYSUCOKZNQNF-MRXNPFEDSA-N 2 1 388.581 3.633 20 30 GHEDMP C[NH+](C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000573184528 835888854 /nfs/dbraw/zinc/88/88/54/835888854.db2.gz OXYYSUCOKZNQNF-MRXNPFEDSA-N 2 1 388.581 3.633 20 30 GHEDMP C=C(CNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000377029447 838925690 /nfs/dbraw/zinc/92/56/90/838925690.db2.gz JEOAETVCSQRTCW-UHFFFAOYSA-N 2 1 398.595 3.538 20 30 GHEDMP CCC[N@H+](Cc1ccc(C#N)cc1OC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000121414934 841851632 /nfs/dbraw/zinc/85/16/32/841851632.db2.gz AAZDBVAHYIJRKD-UHFFFAOYSA-N 2 1 393.535 3.855 20 30 GHEDMP CCC[N@@H+](Cc1ccc(C#N)cc1OC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000121414934 841851645 /nfs/dbraw/zinc/85/16/45/841851645.db2.gz AAZDBVAHYIJRKD-UHFFFAOYSA-N 2 1 393.535 3.855 20 30 GHEDMP C(#CC[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1)C[NH+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000661876460 842274172 /nfs/dbraw/zinc/27/41/72/842274172.db2.gz UDWIFJJOGNOQJQ-NEWJYFPISA-N 2 1 388.596 3.552 20 30 GHEDMP C(#CC[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1)C[NH+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000661876460 842274181 /nfs/dbraw/zinc/27/41/81/842274181.db2.gz UDWIFJJOGNOQJQ-NEWJYFPISA-N 2 1 388.596 3.552 20 30 GHEDMP C(#CC[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1)C[NH+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000661876460 842274187 /nfs/dbraw/zinc/27/41/87/842274187.db2.gz UDWIFJJOGNOQJQ-NEWJYFPISA-N 2 1 388.596 3.552 20 30 GHEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433124413 845452923 /nfs/dbraw/zinc/45/29/23/845452923.db2.gz CDKRBLOTDXEZGC-OAQYLSRUSA-N 2 1 383.580 3.788 20 30 GHEDMP C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183198436 846525242 /nfs/dbraw/zinc/52/52/42/846525242.db2.gz XYBBKPSPBFESEH-UGKGYDQZSA-N 2 1 380.580 3.765 20 30 GHEDMP N#Cc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c(F)c1 ZINC000550262674 852215064 /nfs/dbraw/zinc/21/50/64/852215064.db2.gz NNOSJGIIYMIYLH-QFIPXVFZSA-N 2 1 393.506 3.716 20 30 GHEDMP N#Cc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c(F)c1 ZINC000550262674 852215068 /nfs/dbraw/zinc/21/50/68/852215068.db2.gz NNOSJGIIYMIYLH-QFIPXVFZSA-N 2 1 393.506 3.716 20 30 GHEDMP CN(Cc1ccccc1C(C)(C)C#N)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188293748 853921188 /nfs/dbraw/zinc/92/11/88/853921188.db2.gz YUGLBMHWVMUCSJ-DEOSSOPVSA-N 2 1 377.532 3.557 20 30 GHEDMP C[N@H+](Cc1ccccc1C(C)(C)C#N)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000188293748 853921194 /nfs/dbraw/zinc/92/11/94/853921194.db2.gz YUGLBMHWVMUCSJ-DEOSSOPVSA-N 2 1 377.532 3.557 20 30 GHEDMP C[N@@H+](Cc1ccccc1C(C)(C)C#N)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000188293748 853921198 /nfs/dbraw/zinc/92/11/98/853921198.db2.gz YUGLBMHWVMUCSJ-DEOSSOPVSA-N 2 1 377.532 3.557 20 30 GHEDMP COCCC[NH+]1CCC([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000237208982 855850158 /nfs/dbraw/zinc/85/01/58/855850158.db2.gz RULJFALTFNALIZ-UHFFFAOYSA-N 2 1 393.531 3.728 20 30 GHEDMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000482164147 862764196 /nfs/dbraw/zinc/76/41/96/862764196.db2.gz OHVSPDAEFCIWGQ-RZUBCFFCSA-N 2 1 384.568 3.812 20 30 GHEDMP C=CC[NH+]1CCC(NC(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)CC1 ZINC000171710823 856239133 /nfs/dbraw/zinc/23/91/33/856239133.db2.gz ZKCOPRWJVSIDMO-BGYRXZFFSA-N 2 1 398.595 3.614 20 30 GHEDMP Cc1ccc(CNC(Nc2ccccc2)=[NH+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000443028999 858320207 /nfs/dbraw/zinc/32/02/07/858320207.db2.gz GCKBPHRBMSAXPC-UHFFFAOYSA-N 2 1 393.579 3.579 20 30 GHEDMP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185701872 859117772 /nfs/dbraw/zinc/11/77/72/859117772.db2.gz JFSJGMDUMNTBME-LEWJYISDSA-N 2 1 396.579 3.793 20 30 GHEDMP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185701872 859117778 /nfs/dbraw/zinc/11/77/78/859117778.db2.gz JFSJGMDUMNTBME-LEWJYISDSA-N 2 1 396.579 3.793 20 30 GHEDMP C#CCOc1ccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)cc1 ZINC000856561882 881468889 /nfs/dbraw/zinc/46/88/89/881468889.db2.gz WVVWACBQWPFQFV-DEOSSOPVSA-N 2 1 393.531 3.587 20 30 GHEDMP C#CCOc1ccc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cc1 ZINC000856561882 881468898 /nfs/dbraw/zinc/46/88/98/881468898.db2.gz WVVWACBQWPFQFV-DEOSSOPVSA-N 2 1 393.531 3.587 20 30 GHEDMP C#CCOc1ccc(C[N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cc1 ZINC000856561882 881468903 /nfs/dbraw/zinc/46/89/03/881468903.db2.gz WVVWACBQWPFQFV-DEOSSOPVSA-N 2 1 393.531 3.587 20 30 GHEDMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(CC#N)cc3)C2)ccn1 ZINC000856604435 881581755 /nfs/dbraw/zinc/58/17/55/881581755.db2.gz WYSQQZVKBXAKKC-HSZRJFAPSA-N 2 1 378.520 3.641 20 30 GHEDMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc(CC#N)cc3)C2)ccn1 ZINC000856604435 881581774 /nfs/dbraw/zinc/58/17/74/881581774.db2.gz WYSQQZVKBXAKKC-HSZRJFAPSA-N 2 1 378.520 3.641 20 30 GHEDMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc(CC#N)cc3)C2)ccn1 ZINC000856604435 881581785 /nfs/dbraw/zinc/58/17/85/881581785.db2.gz WYSQQZVKBXAKKC-HSZRJFAPSA-N 2 1 378.520 3.641 20 30 GHEDMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)CC1 ZINC000733898351 863328609 /nfs/dbraw/zinc/32/86/09/863328609.db2.gz RAKYBAHLJKYTBJ-UHFFFAOYSA-N 2 1 398.595 3.994 20 30 GHEDMP CC[N@@H+](C)Cc1cccc(CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)c1 ZINC000304491172 866498597 /nfs/dbraw/zinc/49/85/97/866498597.db2.gz LVEBICACLDBBKW-UHFFFAOYSA-N 2 1 394.441 3.641 20 30 GHEDMP Cc1c(Cl)cnc(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C#N ZINC000542280724 875293247 /nfs/dbraw/zinc/29/32/47/875293247.db2.gz NYAQZCXTUVZUCD-UHFFFAOYSA-N 2 1 389.975 3.548 20 30 GHEDMP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214830 883669562 /nfs/dbraw/zinc/66/95/62/883669562.db2.gz OZDJPGBLFCAPMS-OAHLLOKOSA-N 2 1 384.911 3.732 20 30 GHEDMP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214830 883669570 /nfs/dbraw/zinc/66/95/70/883669570.db2.gz OZDJPGBLFCAPMS-OAHLLOKOSA-N 2 1 384.911 3.732 20 30 GHEDMP C=CCOc1c(Cl)cc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1OC ZINC000623425107 885364237 /nfs/dbraw/zinc/36/42/37/885364237.db2.gz ROMRPKSVFHLBNS-MRXNPFEDSA-N 2 1 394.943 3.504 20 30 GHEDMP N#CC1(c2ccccc2)CCC([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000536637651 888693814 /nfs/dbraw/zinc/69/38/14/888693814.db2.gz JJNUAQUTICNGNC-DDJHWDJXSA-N 2 1 389.543 3.617 20 30 GHEDMP N#CC1(c2ccccc2)CCC([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000536637651 888693822 /nfs/dbraw/zinc/69/38/22/888693822.db2.gz JJNUAQUTICNGNC-DDJHWDJXSA-N 2 1 389.543 3.617 20 30 GHEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)[C@@H](C)C1 ZINC000536867395 893967042 /nfs/dbraw/zinc/96/70/42/893967042.db2.gz DFWGISXQQMUUJL-OZRWQMGGSA-N 2 1 399.579 3.975 20 30 GHEDMP CO[C@@H]1CC[NH+](Cc2cc(C#N)cc(C[N@@H+]3CC[C@H](OC)C[C@@H]3C)c2)[C@@H](C)C1 ZINC000878554922 894379616 /nfs/dbraw/zinc/37/96/16/894379616.db2.gz MQDSYNZLIQMJDB-HTUUBCJYSA-N 2 1 385.552 3.557 20 30 GHEDMP CO[C@@H]1CC[N@@H+](Cc2cc(C#N)cc(C[NH+]3CC[C@H](OC)C[C@@H]3C)c2)[C@@H](C)C1 ZINC000878554922 894379630 /nfs/dbraw/zinc/37/96/30/894379630.db2.gz MQDSYNZLIQMJDB-HTUUBCJYSA-N 2 1 385.552 3.557 20 30 GHEDMP CCOc1ccc(C[N@@H+](CCCn2ccnc2)Cc2cc(C#N)n(C)c2)cc1 ZINC000564315786 894855148 /nfs/dbraw/zinc/85/51/48/894855148.db2.gz WIHYHUSWGCMGSP-UHFFFAOYSA-N 2 1 377.492 3.584 20 30 GHEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)cc1 ZINC000577159682 902550602 /nfs/dbraw/zinc/55/06/02/902550602.db2.gz NMTURNGCIFNWFN-IFXJQAMLSA-N 2 1 391.500 3.570 20 30 GHEDMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@@H](C)Cc3cccc(C#N)c3)CC[C@@H]21 ZINC001171213143 902709410 /nfs/dbraw/zinc/70/94/10/902709410.db2.gz VNSDWSCTBAUYQK-UQAQOTMJSA-N 2 1 391.563 3.559 20 30 GHEDMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@@H](C)Cc3cccc(C#N)c3)CC[C@@H]21 ZINC001171213143 902709423 /nfs/dbraw/zinc/70/94/23/902709423.db2.gz VNSDWSCTBAUYQK-UQAQOTMJSA-N 2 1 391.563 3.559 20 30 GHEDMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+]([C@@H](C)Cc3cccc(C#N)c3)CC[C@@H]21 ZINC001171213143 902709431 /nfs/dbraw/zinc/70/94/31/902709431.db2.gz VNSDWSCTBAUYQK-UQAQOTMJSA-N 2 1 391.563 3.559 20 30 GHEDMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+]([C@@H](C)Cc3cccc(C#N)c3)CC[C@@H]21 ZINC001171213143 902709444 /nfs/dbraw/zinc/70/94/44/902709444.db2.gz VNSDWSCTBAUYQK-UQAQOTMJSA-N 2 1 391.563 3.559 20 30 GHEDMP C[NH+](C)CC[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)c1ccccc1 ZINC001172972397 906034901 /nfs/dbraw/zinc/03/49/01/906034901.db2.gz YBTSAUMBQAMZBR-AABGKKOBSA-N 2 1 386.540 3.561 20 30 GHEDMP CCOc1ccc(OCC)c(NC(=[NH2+])NCCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000303879468 915238385 /nfs/dbraw/zinc/23/83/85/915238385.db2.gz GOAVIDULWNQGBP-KRWDZBQOSA-N 2 1 376.545 3.865 20 30 GHEDMP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1C#N ZINC000781422970 930838336 /nfs/dbraw/zinc/83/83/36/930838336.db2.gz OEGGGXQWMRGIAC-YMPZKCBVSA-N 2 1 375.516 3.957 20 30 GHEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001207289859 1034240666 /nfs/dbraw/zinc/24/06/66/1034240666.db2.gz XYGFCWQHTYHUPE-LOSJGSFVSA-N 2 1 398.591 3.972 20 30 GHEDMP C=C(C)[C@@H]1CC=C(C[NH+]2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)CC1 ZINC001208175326 1034774738 /nfs/dbraw/zinc/77/47/38/1034774738.db2.gz TXTQRWOKDGQDOA-HXUWFJFHSA-N 2 1 384.568 3.592 20 30 GHEDMP C=C(C)[C@@H]1CC=C(C[NH+]2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)CC1 ZINC001208175326 1034774751 /nfs/dbraw/zinc/77/47/51/1034774751.db2.gz TXTQRWOKDGQDOA-HXUWFJFHSA-N 2 1 384.568 3.592 20 30 GHEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCCn3c(=O)cc(C[NH+](C)C(C)C)nc3C2)CC1 ZINC001208175326 1034774759 /nfs/dbraw/zinc/77/47/59/1034774759.db2.gz TXTQRWOKDGQDOA-HXUWFJFHSA-N 2 1 384.568 3.592 20 30 GHEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCCn3c(=O)cc(C[NH+](C)C(C)C)nc3C2)CC1 ZINC001208175326 1034774767 /nfs/dbraw/zinc/77/47/67/1034774767.db2.gz TXTQRWOKDGQDOA-HXUWFJFHSA-N 2 1 384.568 3.592 20 30 GHEDMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](CCCc1ccc(C#N)cc1)CC2 ZINC001208860161 1035063921 /nfs/dbraw/zinc/06/39/21/1035063921.db2.gz YRBKZDLXBGYIBE-QFIPXVFZSA-N 2 1 393.531 3.839 20 30 GHEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)[C@H]2CC ZINC001208941981 1035112284 /nfs/dbraw/zinc/11/22/84/1035112284.db2.gz AYOJMEHMCAWXEY-LSQMVHIFSA-N 2 1 395.591 3.930 20 30 GHEDMP C=CCN1C(=O)CC[C@]12CCC[NH+](C[C@H]1CC[N@H+](Cc3ccccc3)C1)[C@H]2CC ZINC001208941981 1035112288 /nfs/dbraw/zinc/11/22/88/1035112288.db2.gz AYOJMEHMCAWXEY-LSQMVHIFSA-N 2 1 395.591 3.930 20 30 GHEDMP C=CCN1C(=O)CC[C@]12CCC[NH+](C[C@H]1CC[N@@H+](Cc3ccccc3)C1)[C@H]2CC ZINC001208941981 1035112291 /nfs/dbraw/zinc/11/22/91/1035112291.db2.gz AYOJMEHMCAWXEY-LSQMVHIFSA-N 2 1 395.591 3.930 20 30 GHEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208945938 1035116922 /nfs/dbraw/zinc/11/69/22/1035116922.db2.gz OEROBBIHDGGOPY-WXFUMESZSA-N 2 1 384.564 3.582 20 30 GHEDMP C=CCOC[C@]12CCCO[C@@H]1CC[NH+](C[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208945938 1035116929 /nfs/dbraw/zinc/11/69/29/1035116929.db2.gz OEROBBIHDGGOPY-WXFUMESZSA-N 2 1 384.564 3.582 20 30 GHEDMP C=CCOC[C@]12CCCO[C@@H]1CC[NH+](C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208945938 1035116936 /nfs/dbraw/zinc/11/69/36/1035116936.db2.gz OEROBBIHDGGOPY-WXFUMESZSA-N 2 1 384.564 3.582 20 30 GHEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC001241771658 1035693098 /nfs/dbraw/zinc/69/30/98/1035693098.db2.gz MRTQOSOJAVBPFT-QHCPKHFHSA-N 2 1 377.532 3.968 20 30 GHEDMP C=CCCCCCC[C@H](O)C[NH2+]CCCC[C@@H]([NH3+])C(=O)OCc1ccccc1 ZINC001246014586 1037134122 /nfs/dbraw/zinc/13/41/22/1037134122.db2.gz VPECEYVPFICHSC-FCHUYYIVSA-N 2 1 390.568 3.705 20 30 GHEDMP C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@H]1CC[NH2+][C@H](C(C)(C)C)C1)CC2 ZINC001246526825 1037461480 /nfs/dbraw/zinc/46/14/80/1037461480.db2.gz RONXRXNMHMTKTC-OALUTQOASA-N 2 1 377.573 3.654 20 30 GHEDMP C=CCCCCCC[C@@H](O)C[NH+]1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001253239471 1039496834 /nfs/dbraw/zinc/49/68/34/1039496834.db2.gz ZUNNXHNJSNOVLT-JOCHJYFZSA-N 2 1 388.600 3.738 20 30 GHEDMP C=CCCCCCC[C@@H](O)C[NH+]1CCC2(CCC[N@@H+]2Cc2cnn(C)c2)CC1 ZINC001253239471 1039496843 /nfs/dbraw/zinc/49/68/43/1039496843.db2.gz ZUNNXHNJSNOVLT-JOCHJYFZSA-N 2 1 388.600 3.738 20 30 GHEDMP CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]CCc1[nH]cc[nH+]1 ZINC001253614515 1039725583 /nfs/dbraw/zinc/72/55/83/1039725583.db2.gz QFHCIYZGSYTSFL-OAQYLSRUSA-N 2 1 397.604 3.857 20 30 GHEDMP C=CCN1CC[C@]2(CCCN([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)C1=O ZINC001255141988 1040851085 /nfs/dbraw/zinc/85/10/85/1040851085.db2.gz PAQFJLOCJNZKSU-AANQFLQQSA-N 2 1 393.575 3.683 20 30 GHEDMP C=CCN1CC[C@]2(CCC[N@@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)C1=O ZINC001255141988 1040851100 /nfs/dbraw/zinc/85/11/00/1040851100.db2.gz PAQFJLOCJNZKSU-AANQFLQQSA-N 2 1 393.575 3.683 20 30 GHEDMP C=CCN1CC[C@]2(CCC[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)[NH+]4Cc3ccccc3)C2)C1=O ZINC001255141988 1040851115 /nfs/dbraw/zinc/85/11/15/1040851115.db2.gz PAQFJLOCJNZKSU-AANQFLQQSA-N 2 1 393.575 3.683 20 30 GHEDMP C=CCN1CC[C@]2(CCC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)C1=O ZINC001255141988 1040851126 /nfs/dbraw/zinc/85/11/26/1040851126.db2.gz PAQFJLOCJNZKSU-AANQFLQQSA-N 2 1 393.575 3.683 20 30 GHEDMP C=CCN1CC[C@]2(CCC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)C1=O ZINC001255141988 1040851139 /nfs/dbraw/zinc/85/11/39/1040851139.db2.gz PAQFJLOCJNZKSU-AANQFLQQSA-N 2 1 393.575 3.683 20 30 GHEDMP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[NH+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC001236314822 1041669005 /nfs/dbraw/zinc/66/90/05/1041669005.db2.gz OCSCXCSIBQNUDX-VGOFRKELSA-N 2 1 394.469 3.923 20 30 GHEDMP C=CCOC(=O)N1CC2(C1)CC[NH+]([C@@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001256537402 1043483951 /nfs/dbraw/zinc/48/39/51/1043483951.db2.gz NJRZQOJWKPEHDN-RBBKRZOGSA-N 2 1 397.563 3.760 20 30 GHEDMP C=CCOC(=O)N1CC2(C1)CC[NH+]([C@@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC001256537402 1043483970 /nfs/dbraw/zinc/48/39/70/1043483970.db2.gz NJRZQOJWKPEHDN-RBBKRZOGSA-N 2 1 397.563 3.760 20 30 GHEDMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C[C@@H]2C1 ZINC001335133621 1052041009 /nfs/dbraw/zinc/04/10/09/1052041009.db2.gz KFUKRFOBYYQTGR-RZUBCFFCSA-N 2 1 377.536 3.626 20 30 GHEDMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC001325872170 1057377107 /nfs/dbraw/zinc/37/71/07/1057377107.db2.gz UBELIXIVMNMOEB-GOSISDBHSA-N 2 1 376.504 3.702 20 30 GHEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2CC(C)C)CC1 ZINC001464911668 1065269863 /nfs/dbraw/zinc/26/98/63/1065269863.db2.gz YVTCANXHIFPOAF-ISKFKSNPSA-N 2 1 397.607 3.937 20 30 GHEDMP Cc1cc(C#N)cc(C)c1C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001473206997 1073860418 /nfs/dbraw/zinc/86/04/18/1073860418.db2.gz OKOPQPPYOONWEQ-UHFFFAOYSA-N 2 1 382.596 3.803 20 30 GHEDMP Cc1cc(C#N)cc(C)c1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001473206997 1073860430 /nfs/dbraw/zinc/86/04/30/1073860430.db2.gz OKOPQPPYOONWEQ-UHFFFAOYSA-N 3 1 382.596 3.803 20 30 GHEDMP Cc1cc(C#N)cc(C)c1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001473206997 1073860441 /nfs/dbraw/zinc/86/04/41/1073860441.db2.gz OKOPQPPYOONWEQ-UHFFFAOYSA-N 3 1 382.596 3.803 20 30 GHEDMP CC[NH+](CC)CCCC1CC[NH+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC001473374420 1073939419 /nfs/dbraw/zinc/93/94/19/1073939419.db2.gz DAVUWNPOLITQAD-UHFFFAOYSA-N 2 1 390.959 3.984 20 30 GHEDMP C=CCOc1ccc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1Cl ZINC000685457310 835023046 /nfs/dbraw/zinc/02/30/46/835023046.db2.gz AMLNFNVFZAHPKX-LJQANCHMSA-N 2 1 377.960 3.505 20 30 GHEDMP C[N@H+](CCC(=O)Nc1cccc(C#N)c1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179396621 835674228 /nfs/dbraw/zinc/67/42/28/835674228.db2.gz SATNWZKBAHNKCY-UHFFFAOYSA-N 2 1 391.519 3.520 20 30 GHEDMP Cn1cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180026493 836767495 /nfs/dbraw/zinc/76/74/95/836767495.db2.gz HUIDUQDENGBJPM-UHFFFAOYSA-N 2 1 385.515 3.713 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+]C2CC[NH+](C)CC2)cc1OCC ZINC000121189009 839244378 /nfs/dbraw/zinc/24/43/78/839244378.db2.gz NAHYOVIQVIGLNV-UHFFFAOYSA-N 2 1 383.330 3.596 20 30 GHEDMP C=CC[C@@]1(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CCC[NH2+]1 ZINC000662728212 841496170 /nfs/dbraw/zinc/49/61/70/841496170.db2.gz JMLYIVFCDAQEJE-FQEVSTJZSA-N 2 1 396.362 3.772 20 30 GHEDMP N#Cc1cccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000555612573 861415611 /nfs/dbraw/zinc/41/56/11/861415611.db2.gz UFJMSTDDHCFTFM-HSZRJFAPSA-N 2 1 375.516 3.577 20 30 GHEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000583436264 849904137 /nfs/dbraw/zinc/90/41/37/849904137.db2.gz YJVZCDRICYISON-QHCPKHFHSA-N 2 1 380.532 3.723 20 30 GHEDMP N#Cc1cccc(CN2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)c1 ZINC001167975058 851724802 /nfs/dbraw/zinc/72/48/02/851724802.db2.gz GHNSNMAKUPPLSE-CWAQXLGLSA-N 2 1 378.564 3.518 20 30 GHEDMP N#Cc1cccc(C[NH+]2CCC(NC3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)c1 ZINC001167975058 851724808 /nfs/dbraw/zinc/72/48/08/851724808.db2.gz GHNSNMAKUPPLSE-CWAQXLGLSA-N 2 1 378.564 3.518 20 30 GHEDMP N#Cc1cccc(C[NH+]2CCC(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)c1 ZINC001167975058 851724817 /nfs/dbraw/zinc/72/48/17/851724817.db2.gz GHNSNMAKUPPLSE-CWAQXLGLSA-N 2 1 378.564 3.518 20 30 GHEDMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000438449188 852413371 /nfs/dbraw/zinc/41/33/71/852413371.db2.gz BGXXEESSDWBAKC-CVDCTZTESA-N 2 1 390.531 3.872 20 30 GHEDMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000438449188 852413377 /nfs/dbraw/zinc/41/33/77/852413377.db2.gz BGXXEESSDWBAKC-CVDCTZTESA-N 2 1 390.531 3.872 20 30 GHEDMP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2cccc(C#N)c2)CC[NH+]1Cc1ccccc1 ZINC000438449188 852413383 /nfs/dbraw/zinc/41/33/83/852413383.db2.gz BGXXEESSDWBAKC-CVDCTZTESA-N 2 1 390.531 3.872 20 30 GHEDMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2cccc(C#N)c2)CC[NH+]1Cc1ccccc1 ZINC000438449188 852413391 /nfs/dbraw/zinc/41/33/91/852413391.db2.gz BGXXEESSDWBAKC-CVDCTZTESA-N 2 1 390.531 3.872 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1OCC ZINC000414971420 853128630 /nfs/dbraw/zinc/12/86/30/853128630.db2.gz LEAQMXWWYXNSPL-KRWDZBQOSA-N 2 1 397.357 3.890 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc1OCC ZINC000414916268 853609915 /nfs/dbraw/zinc/60/99/15/853609915.db2.gz PLNDAGHRVQHNIZ-OAHLLOKOSA-N 2 1 383.330 3.644 20 30 GHEDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccc(C#N)cc3Cl)CC2)CC1 ZINC000439430637 853644785 /nfs/dbraw/zinc/64/47/85/853644785.db2.gz MXULLCWIMWFTBQ-UHFFFAOYSA-N 2 1 388.987 3.840 20 30 GHEDMP C=C(C)C[NH+]1CCC(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000517318582 853652425 /nfs/dbraw/zinc/65/24/25/853652425.db2.gz XGPIWCRGTZBVIJ-HXUWFJFHSA-N 2 1 398.595 3.758 20 30 GHEDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CC#Cc3ccccc3Cl)CC2)CC1 ZINC000441157372 853955388 /nfs/dbraw/zinc/95/53/88/853955388.db2.gz UBLJUJRJKGSCHS-UHFFFAOYSA-N 2 1 387.999 3.820 20 30 GHEDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C(=O)Nc1ccccc1C#N ZINC000249778984 855543267 /nfs/dbraw/zinc/54/32/67/855543267.db2.gz YBUZWCRYCLFWOJ-RTBURBONSA-N 2 1 390.531 3.907 20 30 GHEDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccc(C4(C#N)CC4)cc3)CC2)CC1 ZINC000597023076 859241061 /nfs/dbraw/zinc/24/10/61/859241061.db2.gz ZIEULGCTCAGBIR-UHFFFAOYSA-N 2 1 394.607 3.870 20 30 GHEDMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597023076 859241072 /nfs/dbraw/zinc/24/10/72/859241072.db2.gz ZIEULGCTCAGBIR-UHFFFAOYSA-N 3 1 394.607 3.870 20 30 GHEDMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597023076 859241081 /nfs/dbraw/zinc/24/10/81/859241081.db2.gz ZIEULGCTCAGBIR-UHFFFAOYSA-N 3 1 394.607 3.870 20 30 GHEDMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CCO1 ZINC000597248309 859392122 /nfs/dbraw/zinc/39/21/22/859392122.db2.gz PVCVEYNRHCROKV-XMMPIXPASA-N 2 1 393.531 3.680 20 30 GHEDMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CCO1 ZINC000597248309 859392127 /nfs/dbraw/zinc/39/21/27/859392127.db2.gz PVCVEYNRHCROKV-XMMPIXPASA-N 2 1 393.531 3.680 20 30 GHEDMP C[C@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CCN1c1cc[nH+]cc1 ZINC000895557404 859651725 /nfs/dbraw/zinc/65/17/25/859651725.db2.gz PDRHISUVQXOQNO-IBGZPJMESA-N 2 1 386.503 3.569 20 30 GHEDMP C[C@@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186323596 864791214 /nfs/dbraw/zinc/79/12/14/864791214.db2.gz VOQQEIAPNAPOLB-DVECYGJZSA-N 2 1 376.548 3.804 20 30 GHEDMP CCc1ccc([C@H](CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)[NH+](C)C)cc1 ZINC000181388330 870958886 /nfs/dbraw/zinc/95/88/86/870958886.db2.gz BAEKXIZSZUDYND-VWLOTQADSA-N 2 1 390.575 3.978 20 30 GHEDMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccc(OCC#N)cc1 ZINC000181478206 871052845 /nfs/dbraw/zinc/05/28/45/871052845.db2.gz YRVKFOBHQVUIQZ-GBXCKJPGSA-N 2 1 392.547 3.618 20 30 GHEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCC(=O)N1Cc3ccccc3C#Cc3ccccc31)C2 ZINC001169114798 871247900 /nfs/dbraw/zinc/24/79/00/871247900.db2.gz YQKQWKLQNHJOFF-BKFWDETESA-N 2 1 399.538 3.538 20 30 GHEDMP Cc1ccc([C@H](CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)[NH+]2CCCC2)o1 ZINC000181648414 871332364 /nfs/dbraw/zinc/33/23/64/871332364.db2.gz GVGZNEAHUBHQIM-QHCPKHFHSA-N 2 1 392.547 3.851 20 30 GHEDMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000191509965 885246757 /nfs/dbraw/zinc/24/67/57/885246757.db2.gz JRFYJRNZPURBII-HNNXBMFYSA-N 2 1 387.915 3.710 20 30 GHEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000191509965 885246774 /nfs/dbraw/zinc/24/67/74/885246774.db2.gz JRFYJRNZPURBII-HNNXBMFYSA-N 2 1 387.915 3.710 20 30 GHEDMP CCCCCCC[N@H+]1C[C@H](O)C[C@H]1c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC001211975241 888763719 /nfs/dbraw/zinc/76/37/19/888763719.db2.gz AJCIIFYBTPSIMU-UXHICEINSA-N 2 1 386.540 3.876 20 30 GHEDMP C[N@H+]1CCC[C@H](CNC(=[NH2+])Nc2ccccn2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000262544888 892296250 /nfs/dbraw/zinc/29/62/50/892296250.db2.gz UOUJREQZNZZKOS-CRAIPNDOSA-N 2 1 391.441 3.910 20 30 GHEDMP C=CCc1ccccc1OC[C@H](O)C[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000567689374 897339740 /nfs/dbraw/zinc/33/97/40/897339740.db2.gz JCPVCAPDUGGHDF-GBXCKJPGSA-N 2 1 394.559 3.970 20 30 GHEDMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(N(C)CCC#N)cc3)c2)CCO1 ZINC000067976681 901071304 /nfs/dbraw/zinc/07/13/04/901071304.db2.gz DPIGPWVCESISAT-FQEVSTJZSA-N 2 1 392.547 3.547 20 30 GHEDMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(N(C)CCC#N)cc3)c2)CCO1 ZINC000067976681 901071313 /nfs/dbraw/zinc/07/13/13/901071313.db2.gz DPIGPWVCESISAT-FQEVSTJZSA-N 2 1 392.547 3.547 20 30 GHEDMP C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001172303392 905456657 /nfs/dbraw/zinc/45/66/57/905456657.db2.gz CNPKCGWUUCMQDE-KNQAVFIVSA-N 2 1 393.531 3.838 20 30 GHEDMP COC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@H](C)Cc3ccc(C#N)cc3)CC2)c1 ZINC001172312996 905469367 /nfs/dbraw/zinc/46/93/67/905469367.db2.gz NKSSSARDTOZXDC-GOSISDBHSA-N 2 1 391.515 3.530 20 30 GHEDMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000181518559 907018434 /nfs/dbraw/zinc/01/84/34/907018434.db2.gz MUHIXHAKHMYJDO-HXUWFJFHSA-N 2 1 392.547 3.577 20 30 GHEDMP CC[NH+](CC)[C@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)c1cccc(OC)c1 ZINC000304479032 915517103 /nfs/dbraw/zinc/51/71/03/915517103.db2.gz IUICZDNHELXXDL-LEWJYISDSA-N 2 1 396.535 3.506 20 30 GHEDMP [NH2+]=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)Nc1ccc2c(c1)OCCCO2 ZINC000304739447 915669101 /nfs/dbraw/zinc/66/91/01/915669101.db2.gz BFFATZBJTAAGSQ-LJQANCHMSA-N 2 1 386.540 3.619 20 30 GHEDMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000924753404 931525345 /nfs/dbraw/zinc/52/53/45/931525345.db2.gz PFZDPJYKBQRIEL-RTBURBONSA-N 2 1 392.588 3.627 20 30 GHEDMP N#Cc1c(Cl)ccnc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001155357495 1032516323 /nfs/dbraw/zinc/51/63/23/1032516323.db2.gz GCPKACHWOKSLTK-GOSISDBHSA-N 2 1 395.938 3.520 20 30 GHEDMP C=CCN1C(=O)CCC[C@]12CCC[N@H+](Cc1ccc(OCCC[NH+](C)C)cc1)C2 ZINC001204266156 1032709675 /nfs/dbraw/zinc/70/96/75/1032709675.db2.gz TZEIGMXUVCNCBF-XMMPIXPASA-N 2 1 399.579 3.550 20 30 GHEDMP Cc1cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)ccc1CC#N ZINC001162940678 1025977463 /nfs/dbraw/zinc/97/74/63/1025977463.db2.gz KFOUYRCTBAHVCF-HSZRJFAPSA-N 2 1 388.559 3.975 20 30 GHEDMP C/C(=N\O)c1ccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)cc1 ZINC001162942987 1025978416 /nfs/dbraw/zinc/97/84/16/1025978416.db2.gz ZZPIBBVUGLEDBN-DPRDIOBOSA-N 2 1 392.547 3.799 20 30 GHEDMP N#Cc1cc(F)cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)c1 ZINC001139874529 1026690200 /nfs/dbraw/zinc/69/02/00/1026690200.db2.gz BIUBAGHQCJHOPK-UHFFFAOYSA-N 2 1 379.479 3.564 20 30 GHEDMP N#Cc1cc(F)cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c1 ZINC001139874529 1026690209 /nfs/dbraw/zinc/69/02/09/1026690209.db2.gz BIUBAGHQCJHOPK-UHFFFAOYSA-N 2 1 379.479 3.564 20 30 GHEDMP C=CC[N@H+]1CCc2c(Cl)c(O[C@@H]3C[NH2+][C@@H]3C)c(O)cc2[C@H](c2ccccc2)C1 ZINC001218393743 1030917643 /nfs/dbraw/zinc/91/76/43/1030917643.db2.gz VWSBYBKDTLFIQN-MFMILTCTSA-N 2 1 398.934 3.961 20 30 GHEDMP COc1cc(C#N)ccc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001231620503 1034777821 /nfs/dbraw/zinc/77/78/21/1034777821.db2.gz CJZRPXCRLAHEOD-FCHUYYIVSA-N 2 1 375.516 3.911 20 30 GHEDMP C#Cc1cccc(CN2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)c1 ZINC001231656047 1034812773 /nfs/dbraw/zinc/81/27/73/1034812773.db2.gz XFRASRMTKYUVRK-RPBOFIJWSA-N 2 1 378.560 3.628 20 30 GHEDMP C#Cc1cccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)c1 ZINC001231656047 1034812777 /nfs/dbraw/zinc/81/27/77/1034812777.db2.gz XFRASRMTKYUVRK-RPBOFIJWSA-N 2 1 378.560 3.628 20 30 GHEDMP C#Cc1cccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)c1 ZINC001231656047 1034812782 /nfs/dbraw/zinc/81/27/82/1034812782.db2.gz XFRASRMTKYUVRK-RPBOFIJWSA-N 2 1 378.560 3.628 20 30 GHEDMP C#Cc1cccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)c1 ZINC001231656047 1034812789 /nfs/dbraw/zinc/81/27/89/1034812789.db2.gz XFRASRMTKYUVRK-RPBOFIJWSA-N 2 1 378.560 3.628 20 30 GHEDMP C#Cc1cccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)c1 ZINC001231656047 1034812800 /nfs/dbraw/zinc/81/28/00/1034812800.db2.gz XFRASRMTKYUVRK-RPBOFIJWSA-N 2 1 378.560 3.628 20 30 GHEDMP C#Cc1cccc(C[NH+]2CCC3(C[C@@H](COC)[N@H+](Cc4ccccn4)C3)CC2)c1 ZINC001231655957 1034812923 /nfs/dbraw/zinc/81/29/23/1034812923.db2.gz WOKRMHGREZLXHR-DEOSSOPVSA-N 2 1 389.543 3.566 20 30 GHEDMP C=CCN1C(=O)CCC[C@]12CCC[N@@H+](C[C@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208938107 1035104416 /nfs/dbraw/zinc/10/44/16/1035104416.db2.gz UVSBOAPMPWHGDX-UKILVPOCSA-N 2 1 395.591 3.932 20 30 GHEDMP C=CCN1C(=O)CCC[C@]12CCC[NH+](C[C@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001208938107 1035104423 /nfs/dbraw/zinc/10/44/23/1035104423.db2.gz UVSBOAPMPWHGDX-UKILVPOCSA-N 2 1 395.591 3.932 20 30 GHEDMP C=CCN1C(=O)CCC[C@]12CCC[NH+](C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208938107 1035104426 /nfs/dbraw/zinc/10/44/26/1035104426.db2.gz UVSBOAPMPWHGDX-UKILVPOCSA-N 2 1 395.591 3.932 20 30 GHEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)[C@H]2CC ZINC001208941979 1035111001 /nfs/dbraw/zinc/11/10/01/1035111001.db2.gz AYOJMEHMCAWXEY-CUYJMHBOSA-N 2 1 395.591 3.930 20 30 GHEDMP C=CCN1C(=O)CC[C@]12CCC[NH+](C[C@@H]1CC[N@H+](Cc3ccccc3)C1)[C@H]2CC ZINC001208941979 1035111003 /nfs/dbraw/zinc/11/10/03/1035111003.db2.gz AYOJMEHMCAWXEY-CUYJMHBOSA-N 2 1 395.591 3.930 20 30 GHEDMP C=CCN1C(=O)CC[C@]12CCC[NH+](C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)[C@H]2CC ZINC001208941979 1035111006 /nfs/dbraw/zinc/11/10/06/1035111006.db2.gz AYOJMEHMCAWXEY-CUYJMHBOSA-N 2 1 395.591 3.930 20 30 GHEDMP N#Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3cn4c5c3cccc5C[NH2+]CC4)C2)c1 ZINC001235968151 1041471389 /nfs/dbraw/zinc/47/13/89/1041471389.db2.gz FBKWUVKUOFQUPY-JOCHJYFZSA-N 2 1 386.499 3.660 20 30 GHEDMP N#Cc1cc(C[NH+]2CCC(CC3CC[NH2+]CC3)CC2)ccc1Br ZINC001236961777 1041970629 /nfs/dbraw/zinc/97/06/29/1041970629.db2.gz GXHGWQCYEVIKMV-UHFFFAOYSA-N 2 1 376.342 3.922 20 30 GHEDMP N#Cc1cc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c(F)cc1F ZINC001237527869 1042252130 /nfs/dbraw/zinc/25/21/30/1042252130.db2.gz YWYRFHGTMZRUSF-UHFFFAOYSA-N 2 1 382.458 3.720 20 30 GHEDMP N#Cc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c(F)cc1F ZINC001237527869 1042252135 /nfs/dbraw/zinc/25/21/35/1042252135.db2.gz YWYRFHGTMZRUSF-UHFFFAOYSA-N 2 1 382.458 3.720 20 30 GHEDMP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CCCN(c4ccc(C#N)cn4)CC3)cc21 ZINC001237885122 1042409543 /nfs/dbraw/zinc/40/95/43/1042409543.db2.gz GAPPIZORVNRSMM-UHFFFAOYSA-N 2 1 387.531 3.667 20 30 GHEDMP COc1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)ccc1C#N ZINC001238417773 1042589289 /nfs/dbraw/zinc/58/92/89/1042589289.db2.gz ZFWBIWXKKNHKAG-PKTZIBPZSA-N 2 1 375.516 3.911 20 30 GHEDMP COc1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)ccc1C#N ZINC001238417773 1042589292 /nfs/dbraw/zinc/58/92/92/1042589292.db2.gz ZFWBIWXKKNHKAG-PKTZIBPZSA-N 2 1 375.516 3.911 20 30 GHEDMP COc1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)ccc1C#N ZINC001238417773 1042589294 /nfs/dbraw/zinc/58/92/94/1042589294.db2.gz ZFWBIWXKKNHKAG-PKTZIBPZSA-N 2 1 375.516 3.911 20 30 GHEDMP C=CCN1C(=O)CCC[C@]12CCC[N@@H+](C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001256605423 1043569423 /nfs/dbraw/zinc/56/94/23/1043569423.db2.gz GKFUOQNLCDYSBX-XMMPIXPASA-N 2 1 381.564 3.684 20 30 GHEDMP C=CCN1C(=O)CCC[C@]12CCC[N@H+](C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001256605423 1043569428 /nfs/dbraw/zinc/56/94/28/1043569428.db2.gz GKFUOQNLCDYSBX-XMMPIXPASA-N 2 1 381.564 3.684 20 30 GHEDMP N#Cc1ccc(C2CCC(N3CCn4cc(CN5CCCC5)nc4C3)CC2)cc1 ZINC001257018006 1043802557 /nfs/dbraw/zinc/80/25/57/1043802557.db2.gz DGHNJOQUEUXGFR-UHFFFAOYSA-N 2 1 389.547 3.893 20 30 GHEDMP Cn1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccc(Cl)s4)C[C@H]3CC2)cc1C#N ZINC001279334145 1047771436 /nfs/dbraw/zinc/77/14/36/1047771436.db2.gz FLHCXNUXYUJCCB-CALCHBBNSA-N 2 1 388.968 3.956 20 30 GHEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccc(Cl)s4)C[C@H]3CC2)cc1C#N ZINC001279334145 1047771445 /nfs/dbraw/zinc/77/14/45/1047771445.db2.gz FLHCXNUXYUJCCB-CALCHBBNSA-N 2 1 388.968 3.956 20 30 GHEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccc(Cl)s4)C[C@H]3CC2)cc1C#N ZINC001279334145 1047771453 /nfs/dbraw/zinc/77/14/53/1047771453.db2.gz FLHCXNUXYUJCCB-CALCHBBNSA-N 2 1 388.968 3.956 20 30 GHEDMP N#Cc1cccc(NC(=O)CC[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001326596057 1057519149 /nfs/dbraw/zinc/51/91/49/1057519149.db2.gz IAWTZJIJWXDICQ-QFIPXVFZSA-N 2 1 390.531 3.779 20 30 GHEDMP C=CCCN(OCc1ccccc1)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000847856092 1066283297 /nfs/dbraw/zinc/28/32/97/1066283297.db2.gz LYXZTJRYMHOCPA-UHFFFAOYSA-N 2 1 399.579 3.719 20 30 GHEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000511437213 837306253 /nfs/dbraw/zinc/30/62/53/837306253.db2.gz IOELTMVRTUSKHA-QFIPXVFZSA-N 2 1 398.595 3.627 20 30 GHEDMP N#Cc1ccccc1OCC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535680588 844286313 /nfs/dbraw/zinc/28/63/13/844286313.db2.gz OSXSBUHTKUCRAL-UHFFFAOYSA-N 2 1 375.516 3.925 20 30 GHEDMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3ccc(C#N)s3)CC2)c1C ZINC000290379427 838159408 /nfs/dbraw/zinc/15/94/08/838159408.db2.gz HZCSFRCPSDJLJJ-UHFFFAOYSA-N 2 1 384.549 3.737 20 30 GHEDMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3ccc(C#N)s3)CC2)c1C ZINC000290379427 838159414 /nfs/dbraw/zinc/15/94/14/838159414.db2.gz HZCSFRCPSDJLJJ-UHFFFAOYSA-N 2 1 384.549 3.737 20 30 GHEDMP N#Cc1cccc(-c2nnc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)o2)c1 ZINC000610367564 838726164 /nfs/dbraw/zinc/72/61/64/838726164.db2.gz ZRHCWSWPJYMYFT-UHFFFAOYSA-N 2 1 379.508 3.696 20 30 GHEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cc(C#N)nc2ccccc21 ZINC000610573498 842841611 /nfs/dbraw/zinc/84/16/11/842841611.db2.gz KURGHSONSHXDML-UHFFFAOYSA-N 2 1 391.563 3.739 20 30 GHEDMP N#Cc1cccc(OCC[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000433172096 845579325 /nfs/dbraw/zinc/57/93/25/845579325.db2.gz DEPMQNBKPHGJGV-UHFFFAOYSA-N 2 1 375.516 3.925 20 30 GHEDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C(=O)NC1(C#N)CCCCC1 ZINC000604044420 861704153 /nfs/dbraw/zinc/70/41/53/861704153.db2.gz MSTYDIRKHLFWKB-WOJBJXKFSA-N 2 1 396.579 3.739 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1OC ZINC000414979523 853249775 /nfs/dbraw/zinc/24/97/75/853249775.db2.gz VJGPWHKLFWPGLV-INIZCTEOSA-N 2 1 383.330 3.500 20 30 GHEDMP Cc1cccc2nc(C3CC[NH+](CC(=O)NC4CC[NH+](C5CC5)CC4)CC3)oc21 ZINC000328611876 854482553 /nfs/dbraw/zinc/48/25/53/854482553.db2.gz OVMWFEQCUYEPKE-UHFFFAOYSA-N 2 1 396.535 3.899 20 30 GHEDMP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000574692579 855714324 /nfs/dbraw/zinc/71/43/24/855714324.db2.gz BFKYGRGNWOUZRV-GPXOXTDOSA-N 2 1 389.543 3.798 20 30 GHEDMP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000574692579 855714328 /nfs/dbraw/zinc/71/43/28/855714328.db2.gz BFKYGRGNWOUZRV-GPXOXTDOSA-N 2 1 389.543 3.798 20 30 GHEDMP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1cc(C#N)ccc1Br ZINC000921623468 856333045 /nfs/dbraw/zinc/33/30/45/856333045.db2.gz LQGKLHCQIYXWBX-UHFFFAOYSA-N 2 1 388.309 3.551 20 30 GHEDMP CCN(CC)c1ccc(/C=[NH+]/C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(O)c1 ZINC000760976910 856888489 /nfs/dbraw/zinc/88/84/89/856888489.db2.gz AICLBJYVBTVTND-AJPHYDNBSA-N 2 1 395.547 3.948 20 30 GHEDMP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(C(C)(C)C#N)cc3)cc2)CC1 ZINC000594495032 858191092 /nfs/dbraw/zinc/19/10/92/858191092.db2.gz NCWXVGSUQNUVND-UHFFFAOYSA-N 2 1 390.575 3.915 20 30 GHEDMP C=CCOc1ccccc1C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856553587 881384293 /nfs/dbraw/zinc/38/42/93/881384293.db2.gz DCQSXJYMXVDCHF-QFIPXVFZSA-N 2 1 381.520 3.751 20 30 GHEDMP C=CCOc1ccccc1C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856553587 881384314 /nfs/dbraw/zinc/38/43/14/881384314.db2.gz DCQSXJYMXVDCHF-QFIPXVFZSA-N 2 1 381.520 3.751 20 30 GHEDMP C=CCOc1ccccc1C[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856553587 881384330 /nfs/dbraw/zinc/38/43/30/881384330.db2.gz DCQSXJYMXVDCHF-QFIPXVFZSA-N 2 1 381.520 3.751 20 30 GHEDMP C=CCOc1cccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)CC)c3)C2)c1 ZINC000856555903 881405412 /nfs/dbraw/zinc/40/54/12/881405412.db2.gz TXSIPNCQWNZJSE-QHCPKHFHSA-N 2 1 381.520 3.751 20 30 GHEDMP C=CCOc1cccc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)CC)c3)C2)c1 ZINC000856555903 881405416 /nfs/dbraw/zinc/40/54/16/881405416.db2.gz TXSIPNCQWNZJSE-QHCPKHFHSA-N 2 1 381.520 3.751 20 30 GHEDMP C=CCOc1cccc(C[N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)CC)c3)C2)c1 ZINC000856555903 881405422 /nfs/dbraw/zinc/40/54/22/881405422.db2.gz TXSIPNCQWNZJSE-QHCPKHFHSA-N 2 1 381.520 3.751 20 30 GHEDMP Cc1cc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)ccc1C#N ZINC000856558182 881414181 /nfs/dbraw/zinc/41/41/81/881414181.db2.gz CJDSIOVBIOPRAI-QHCPKHFHSA-N 2 1 378.520 3.755 20 30 GHEDMP Cc1cc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)ccc1C#N ZINC000856558182 881414272 /nfs/dbraw/zinc/41/42/72/881414272.db2.gz CJDSIOVBIOPRAI-QHCPKHFHSA-N 2 1 378.520 3.755 20 30 GHEDMP Cc1cc(C[N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)ccc1C#N ZINC000856558182 881414356 /nfs/dbraw/zinc/41/43/56/881414356.db2.gz CJDSIOVBIOPRAI-QHCPKHFHSA-N 2 1 378.520 3.755 20 30 GHEDMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCCc4cc(C#N)ccc43)c2)CCO1 ZINC000611391256 859742324 /nfs/dbraw/zinc/74/23/24/859742324.db2.gz LIKPGQIJZJRFGM-MHECFPHRSA-N 2 1 375.516 3.946 20 30 GHEDMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCCc4cc(C#N)ccc43)c2)CCO1 ZINC000611391256 859742329 /nfs/dbraw/zinc/74/23/29/859742329.db2.gz LIKPGQIJZJRFGM-MHECFPHRSA-N 2 1 375.516 3.946 20 30 GHEDMP [NH2+]=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)N[C@H]1CCOc2ccccc21 ZINC000262277865 860973259 /nfs/dbraw/zinc/97/32/59/860973259.db2.gz IKGMEERVMRFURS-IRLDBZIGSA-N 2 1 392.547 3.717 20 30 GHEDMP [NH2+]=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N[C@H]1CCOc2ccccc21 ZINC000262277869 860973903 /nfs/dbraw/zinc/97/39/03/860973903.db2.gz IKGMEERVMRFURS-UNMCSNQZSA-N 2 1 392.547 3.717 20 30 GHEDMP C=CCOc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000607366223 864349788 /nfs/dbraw/zinc/34/97/88/864349788.db2.gz BKPSSUMCZABELP-QFIPXVFZSA-N 2 1 386.923 3.631 20 30 GHEDMP C=CCOc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000607366223 864349805 /nfs/dbraw/zinc/34/98/05/864349805.db2.gz BKPSSUMCZABELP-QFIPXVFZSA-N 2 1 386.923 3.631 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OCC ZINC000608061549 864953480 /nfs/dbraw/zinc/95/34/80/864953480.db2.gz YEJMJYVLJWMJDF-GOEBONIOSA-N 2 1 397.357 3.985 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OCC ZINC000608061549 864953486 /nfs/dbraw/zinc/95/34/86/864953486.db2.gz YEJMJYVLJWMJDF-GOEBONIOSA-N 2 1 397.357 3.985 20 30 GHEDMP C[C@@H]1C[N@H+](CC2CC[NH+](CC#Cc3ccc(C(F)(F)F)cc3)CC2)C[C@H](C)O1 ZINC000478966535 866932193 /nfs/dbraw/zinc/93/21/93/866932193.db2.gz RPJWLXBRYUGYSI-HDICACEKSA-N 2 1 394.481 3.878 20 30 GHEDMP C=CCC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccco1 ZINC000286178811 912608117 /nfs/dbraw/zinc/60/81/17/912608117.db2.gz QRZUHIQVFSNPBW-NHCUHLMSSA-N 2 1 381.520 3.774 20 30 GHEDMP CC(C)[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000533408721 890478456 /nfs/dbraw/zinc/47/84/56/890478456.db2.gz FLUDNJUQNICABG-UHFFFAOYSA-N 2 1 376.932 3.592 20 30 GHEDMP COC(=O)C1(C#N)CC[NH+](C[C@]2(C(C)(C)C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000877566090 893692984 /nfs/dbraw/zinc/69/29/84/893692984.db2.gz DDCZFWNDARTRDG-XMMPIXPASA-N 2 1 397.563 3.704 20 30 GHEDMP COC(=O)C1(C#N)CC[NH+](C[C@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000877566090 893693009 /nfs/dbraw/zinc/69/30/09/893693009.db2.gz DDCZFWNDARTRDG-XMMPIXPASA-N 2 1 397.563 3.704 20 30 GHEDMP CC(C)C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)CC1CC[NH+](C)CC1 ZINC000877767694 893803285 /nfs/dbraw/zinc/80/32/85/893803285.db2.gz UDIFWBRHNHGGQY-UHFFFAOYSA-N 2 1 394.567 3.659 20 30 GHEDMP C[NH+](CCc1ccccn1)Cc1cc(C#N)cc(C[N@@H+](C)CCc2ccccn2)c1 ZINC000878308905 894183749 /nfs/dbraw/zinc/18/37/49/894183749.db2.gz IHXSSRMPHQYYCO-UHFFFAOYSA-N 2 1 399.542 3.697 20 30 GHEDMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]Cc3cc(C#N)cs3)cc2)C[C@H]1C ZINC000537021902 894226305 /nfs/dbraw/zinc/22/63/05/894226305.db2.gz RDXPZJIEPNNOJY-HDICACEKSA-N 2 1 383.561 3.919 20 30 GHEDMP N#CCCn1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(-c2ccccc2)n1 ZINC000093563689 901553973 /nfs/dbraw/zinc/55/39/73/901553973.db2.gz VWGLHUQYAJMPAG-JOCHJYFZSA-N 2 1 377.536 3.914 20 30 GHEDMP N#CCCn1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(-c2ccccc2)n1 ZINC000093563689 901553987 /nfs/dbraw/zinc/55/39/87/901553987.db2.gz VWGLHUQYAJMPAG-JOCHJYFZSA-N 2 1 377.536 3.914 20 30 GHEDMP C#Cc1ccc(CN2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)cc1 ZINC001144569701 902401081 /nfs/dbraw/zinc/40/10/81/902401081.db2.gz XLLSNNOQVRWHTH-DQEYMECFSA-N 2 1 378.560 3.628 20 30 GHEDMP C#Cc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)cc1 ZINC001144569701 902401085 /nfs/dbraw/zinc/40/10/85/902401085.db2.gz XLLSNNOQVRWHTH-DQEYMECFSA-N 2 1 378.560 3.628 20 30 GHEDMP C#Cc1ccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)cc1 ZINC001144569701 902401089 /nfs/dbraw/zinc/40/10/89/902401089.db2.gz XLLSNNOQVRWHTH-DQEYMECFSA-N 2 1 378.560 3.628 20 30 GHEDMP C#Cc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)cc1 ZINC001144569701 902401094 /nfs/dbraw/zinc/40/10/94/902401094.db2.gz XLLSNNOQVRWHTH-DQEYMECFSA-N 2 1 378.560 3.628 20 30 GHEDMP C#Cc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)cc1 ZINC001144569701 902401099 /nfs/dbraw/zinc/40/10/99/902401099.db2.gz XLLSNNOQVRWHTH-DQEYMECFSA-N 2 1 378.560 3.628 20 30 GHEDMP C[C@@H](CCCC#N)[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCc2ccccn2)C1 ZINC001172497066 905597635 /nfs/dbraw/zinc/59/76/35/905597635.db2.gz XHGDCGOHNSRCQC-ODGPQVTHSA-N 2 1 396.579 3.714 20 30 GHEDMP C[C@@H](CCCC#N)[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1ccccn1 ZINC001172497066 905597648 /nfs/dbraw/zinc/59/76/48/905597648.db2.gz XHGDCGOHNSRCQC-ODGPQVTHSA-N 2 1 396.579 3.714 20 30 GHEDMP C[C@@H](CCCC#N)[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1ccccn1 ZINC001172497066 905597660 /nfs/dbraw/zinc/59/76/60/905597660.db2.gz XHGDCGOHNSRCQC-ODGPQVTHSA-N 2 1 396.579 3.714 20 30 GHEDMP C[C@H](CCCC#N)[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCc2cccnc2)C1 ZINC001172496346 905598579 /nfs/dbraw/zinc/59/85/79/905598579.db2.gz ZQNVYYLBLSMJMV-FGCOXFRFSA-N 2 1 396.579 3.714 20 30 GHEDMP C[C@H](CCCC#N)[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001172496346 905598590 /nfs/dbraw/zinc/59/85/90/905598590.db2.gz ZQNVYYLBLSMJMV-FGCOXFRFSA-N 2 1 396.579 3.714 20 30 GHEDMP C[C@H](CCCC#N)[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001172496346 905598602 /nfs/dbraw/zinc/59/86/02/905598602.db2.gz ZQNVYYLBLSMJMV-FGCOXFRFSA-N 2 1 396.579 3.714 20 30 GHEDMP CCCCCCCC[C@@H](CC)[N@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001172505084 905601715 /nfs/dbraw/zinc/60/17/15/905601715.db2.gz JRYZRNUCTGXEMT-GOSISDBHSA-N 2 1 392.588 3.853 20 30 GHEDMP N#Cc1ccc(CN2CCC([NH2+]C3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000181387497 906987727 /nfs/dbraw/zinc/98/77/27/906987727.db2.gz PEIYNFPVUQOESF-UHFFFAOYSA-N 2 1 388.559 3.777 20 30 GHEDMP [NH2+]=C(NCCc1cccs1)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000303901127 915303245 /nfs/dbraw/zinc/30/32/45/915303245.db2.gz SMIYFZNGQOSICH-GOSISDBHSA-N 2 1 376.957 3.685 20 30 GHEDMP Cc1ccc([C@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)[NH+](C)C)cc1 ZINC000305181958 915980833 /nfs/dbraw/zinc/98/08/33/915980833.db2.gz BPCHGZGQZBHDCU-INIZCTEOSA-N 2 1 380.414 3.923 20 30 GHEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000411470377 926429112 /nfs/dbraw/zinc/42/91/12/926429112.db2.gz CANYAGKIGOZPPM-AOMKIAJQSA-N 2 1 385.471 3.509 20 30 GHEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000411470384 926429215 /nfs/dbraw/zinc/42/92/15/926429215.db2.gz CANYAGKIGOZPPM-KSFYIVLOSA-N 2 1 385.471 3.509 20 30 GHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2C[C@H]3CC[C@@H]([C@@H]2C)N3C(=O)OC(C)(C)C)CC1 ZINC000924989978 931604683 /nfs/dbraw/zinc/60/46/83/931604683.db2.gz WOYKHFCQJWJXTJ-LMCOJAPRSA-N 2 1 377.573 3.793 20 30 GHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2C[C@H]3CC[C@@H]([C@H]2C)N3C(=O)OC(C)(C)C)CC1 ZINC000924989982 931604753 /nfs/dbraw/zinc/60/47/53/931604753.db2.gz WOYKHFCQJWJXTJ-RNQOJCNYSA-N 2 1 377.573 3.793 20 30 GHEDMP N#Cc1c(F)cc(CN2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cc1F ZINC001140757609 1022447538 /nfs/dbraw/zinc/44/75/38/1022447538.db2.gz NBMBISCTSXVVRO-UHFFFAOYSA-N 2 1 382.458 3.720 20 30 GHEDMP N#Cc1c(F)cc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)cc1F ZINC001140757609 1022447548 /nfs/dbraw/zinc/44/75/48/1022447548.db2.gz NBMBISCTSXVVRO-UHFFFAOYSA-N 2 1 382.458 3.720 20 30 GHEDMP N#Cc1c(F)cc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cc1F ZINC001140757609 1022447556 /nfs/dbraw/zinc/44/75/56/1022447556.db2.gz NBMBISCTSXVVRO-UHFFFAOYSA-N 2 1 382.458 3.720 20 30 GHEDMP C=CCc1cccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c1O ZINC001138627492 1025127531 /nfs/dbraw/zinc/12/75/31/1025127531.db2.gz JYVYTNPVNHQUEX-UHFFFAOYSA-N 2 1 392.543 3.988 20 30 GHEDMP N#Cc1c2c(c[nH+]c1NCc1ccc3c(c1)CC[NH2+]C3)CCN2Cc1ccccc1 ZINC001162803169 1025922116 /nfs/dbraw/zinc/92/21/16/1025922116.db2.gz RUJHBVAVEMQEOZ-UHFFFAOYSA-N 2 1 395.510 3.774 20 30 GHEDMP N#Cc1ccc(Cl)nc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162927337 1025970084 /nfs/dbraw/zinc/97/00/84/1025970084.db2.gz ARJNBTUMGRYGGG-LJQANCHMSA-N 2 1 395.938 3.520 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+]CCn2cc[nH+]c2C)cc1OCC ZINC001461119213 1069400139 /nfs/dbraw/zinc/40/01/39/1069400139.db2.gz MBKGFFJACFGUTP-UHFFFAOYSA-N 2 1 394.313 3.707 20 30 GHEDMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@@H]21 ZINC001140137641 1026911238 /nfs/dbraw/zinc/91/12/38/1026911238.db2.gz QPRWVWDDNABGFU-AVCGJXAMSA-N 2 1 378.495 3.825 20 30 GHEDMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(C#N)cc3F)C[C@@H]21 ZINC001140137641 1026911243 /nfs/dbraw/zinc/91/12/43/1026911243.db2.gz QPRWVWDDNABGFU-AVCGJXAMSA-N 2 1 378.495 3.825 20 30 GHEDMP C=CCN(CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001207204014 1034172802 /nfs/dbraw/zinc/17/28/02/1034172802.db2.gz YSWJHCWMBHXUBK-OAQYLSRUSA-N 2 1 387.568 3.863 20 30 GHEDMP C=CCN(CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001207204014 1034172810 /nfs/dbraw/zinc/17/28/10/1034172810.db2.gz YSWJHCWMBHXUBK-OAQYLSRUSA-N 2 1 387.568 3.863 20 30 GHEDMP C=CCN(CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001207204014 1034172819 /nfs/dbraw/zinc/17/28/19/1034172819.db2.gz YSWJHCWMBHXUBK-OAQYLSRUSA-N 2 1 387.568 3.863 20 30 GHEDMP C=CCN(CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001207204014 1034172829 /nfs/dbraw/zinc/17/28/29/1034172829.db2.gz YSWJHCWMBHXUBK-OAQYLSRUSA-N 2 1 387.568 3.863 20 30 GHEDMP N#Cc1ccccc1O[C@H]1CCC[N@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208954581 1035127431 /nfs/dbraw/zinc/12/74/31/1035127431.db2.gz WNISHYBBTHSCMK-GGAORHGYSA-N 2 1 375.516 3.924 20 30 GHEDMP N#Cc1ccccc1O[C@H]1CCC[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC001208954581 1035127436 /nfs/dbraw/zinc/12/74/36/1035127436.db2.gz WNISHYBBTHSCMK-GGAORHGYSA-N 2 1 375.516 3.924 20 30 GHEDMP N#Cc1ccccc1O[C@H]1CCC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208954581 1035127438 /nfs/dbraw/zinc/12/74/38/1035127438.db2.gz WNISHYBBTHSCMK-GGAORHGYSA-N 2 1 375.516 3.924 20 30 GHEDMP N#Cc1ccccc1O[C@H]1CCC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208954581 1035127451 /nfs/dbraw/zinc/12/74/51/1035127451.db2.gz WNISHYBBTHSCMK-GGAORHGYSA-N 2 1 375.516 3.924 20 30 GHEDMP C=CCCCCCCCC[N@@H+]1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC001209442656 1035275312 /nfs/dbraw/zinc/27/53/12/1035275312.db2.gz BFQZSOPOYLVFCE-UHFFFAOYSA-N 2 1 386.584 3.962 20 30 GHEDMP C=CCCCCCCCC[N@H+]1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC001209442656 1035275313 /nfs/dbraw/zinc/27/53/13/1035275313.db2.gz BFQZSOPOYLVFCE-UHFFFAOYSA-N 2 1 386.584 3.962 20 30 GHEDMP C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@H]1CC[NH2+][C@H](c3ccccc3)C1)CC2 ZINC001246527192 1037460227 /nfs/dbraw/zinc/46/02/27/1037460227.db2.gz SQEKXBAQRPWCSX-VXKWHMMOSA-N 2 1 397.563 3.980 20 30 GHEDMP N#Cc1ccc(F)cc1CN1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001232889751 1038674926 /nfs/dbraw/zinc/67/49/26/1038674926.db2.gz OSSXUKSSLXUFAI-UHFFFAOYSA-N 2 1 385.508 3.626 20 30 GHEDMP N#Cc1ccc(F)cc1CN1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001232889751 1038674942 /nfs/dbraw/zinc/67/49/42/1038674942.db2.gz OSSXUKSSLXUFAI-UHFFFAOYSA-N 2 1 385.508 3.626 20 30 GHEDMP C[N@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1cc(F)ccc1C#N)CC2 ZINC001232892058 1038680710 /nfs/dbraw/zinc/68/07/10/1038680710.db2.gz ZRZOHOJXVWKZRM-UHFFFAOYSA-N 2 1 378.495 3.969 20 30 GHEDMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1cc(F)ccc1C#N)CC2 ZINC001232892058 1038680713 /nfs/dbraw/zinc/68/07/13/1038680713.db2.gz ZRZOHOJXVWKZRM-UHFFFAOYSA-N 2 1 378.495 3.969 20 30 GHEDMP Cc1cc(C#N)ccc1C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001233079836 1038849822 /nfs/dbraw/zinc/84/98/22/1038849822.db2.gz OZYJXDRKICAINN-HSZRJFAPSA-N 2 1 390.531 3.517 20 30 GHEDMP N#Cc1ccc2nc(C[NH+]3CCC4(CC[N@@H+](Cc5cccs5)C4)CC3)cn2c1 ZINC001237605733 1042278679 /nfs/dbraw/zinc/27/86/79/1042278679.db2.gz JIFKJCJMKGMDPT-UHFFFAOYSA-N 2 1 391.544 3.756 20 30 GHEDMP C[C@@H]1C[C@H](CC[NH2+]CCC(=O)Nc2cccc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC001261436925 1045998337 /nfs/dbraw/zinc/99/83/37/1045998337.db2.gz OWLUYJHSEHFHPQ-KNQAVFIVSA-N 2 1 390.531 3.777 20 30 GHEDMP Cn1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccsc4Cl)C[C@H]3CC2)cc1C#N ZINC001279692877 1047918077 /nfs/dbraw/zinc/91/80/77/1047918077.db2.gz PCZWHCUYWDMCAG-CALCHBBNSA-N 2 1 388.968 3.956 20 30 GHEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccsc4Cl)C[C@H]3CC2)cc1C#N ZINC001279692877 1047918079 /nfs/dbraw/zinc/91/80/79/1047918079.db2.gz PCZWHCUYWDMCAG-CALCHBBNSA-N 2 1 388.968 3.956 20 30 GHEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccsc4Cl)C[C@H]3CC2)cc1C#N ZINC001279692877 1047918081 /nfs/dbraw/zinc/91/80/81/1047918081.db2.gz PCZWHCUYWDMCAG-CALCHBBNSA-N 2 1 388.968 3.956 20 30 GHEDMP COc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1C#N ZINC001474294525 1074329025 /nfs/dbraw/zinc/32/90/25/1074329025.db2.gz PXQFBLKYHUXMGE-AKIFATBCSA-N 2 1 375.516 3.957 20 30 GHEDMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1F ZINC000329365990 834913528 /nfs/dbraw/zinc/91/35/28/834913528.db2.gz IJKWODLFRLJJHZ-LJQANCHMSA-N 2 1 399.514 3.684 20 30 GHEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(N(Cc2ccccc2)C2(C[NH3+])COC2)cc1 ZINC001167378614 839255311 /nfs/dbraw/zinc/25/53/11/839255311.db2.gz XLQKAUIZWZKVJF-HSZRJFAPSA-N 2 1 377.532 3.744 20 30 GHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@H](C(=O)OCC)[C@@H](C(F)(F)F)C2)CC1 ZINC000892880855 839309757 /nfs/dbraw/zinc/30/97/57/839309757.db2.gz MHLDAFQTASWOIC-IKGGRYGDSA-N 2 1 376.463 3.527 20 30 GHEDMP C=C(C)C[NH+]1CCC(NC(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000509727148 840118437 /nfs/dbraw/zinc/11/84/37/840118437.db2.gz DFJGHUILOKOYPR-IFMALSPDSA-N 2 1 398.595 3.627 20 30 GHEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185698879 861209515 /nfs/dbraw/zinc/20/95/15/861209515.db2.gz JMDUGYRVZUHORS-QYZOEREBSA-N 2 1 389.609 3.894 20 30 GHEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185698879 861209533 /nfs/dbraw/zinc/20/95/33/861209533.db2.gz JMDUGYRVZUHORS-QYZOEREBSA-N 2 1 389.609 3.894 20 30 GHEDMP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000603875806 861305521 /nfs/dbraw/zinc/30/55/21/861305521.db2.gz QJNQYCWKPGHZID-OAQYLSRUSA-N 2 1 396.579 3.910 20 30 GHEDMP C=CCOc1ccc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000430997003 843396786 /nfs/dbraw/zinc/39/67/86/843396786.db2.gz TYBVMLMZUDGMNL-UHFFFAOYSA-N 2 1 399.579 3.520 20 30 GHEDMP C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCCO2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329466705 861479854 /nfs/dbraw/zinc/47/98/54/861479854.db2.gz VRYYQLJDTRJOON-IAGOWNOFSA-N 2 1 387.524 3.679 20 30 GHEDMP C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCCO2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000329466705 861479863 /nfs/dbraw/zinc/47/98/63/861479863.db2.gz VRYYQLJDTRJOON-IAGOWNOFSA-N 2 1 387.524 3.679 20 30 GHEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)C(C)C ZINC000503441427 847697206 /nfs/dbraw/zinc/69/72/06/847697206.db2.gz XLVNOAJZPKVIJY-QHCPKHFHSA-N 2 1 398.595 3.603 20 30 GHEDMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000582993987 848842267 /nfs/dbraw/zinc/84/22/67/848842267.db2.gz DVALCYYZDFXFST-UHFFFAOYSA-N 2 1 392.425 3.592 20 30 GHEDMP CC[NH+]1CCC([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000157436983 854124113 /nfs/dbraw/zinc/12/41/13/854124113.db2.gz JLPLEFDGQCRPSJ-UHFFFAOYSA-N 2 1 388.581 3.633 20 30 GHEDMP CC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000157436983 854124119 /nfs/dbraw/zinc/12/41/19/854124119.db2.gz JLPLEFDGQCRPSJ-UHFFFAOYSA-N 2 1 388.581 3.633 20 30 GHEDMP CN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCCCc4cc(C#N)ccc43)cc2)CC1 ZINC000481928326 862533921 /nfs/dbraw/zinc/53/39/21/862533921.db2.gz QZWZRLOOGIEBDE-VWLOTQADSA-N 2 1 388.559 3.863 20 30 GHEDMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000482164148 862764072 /nfs/dbraw/zinc/76/40/72/862764072.db2.gz OHVSPDAEFCIWGQ-URVUXULASA-N 2 1 384.568 3.812 20 30 GHEDMP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000595066807 858370112 /nfs/dbraw/zinc/37/01/12/858370112.db2.gz FGLUBOWJUYRWKP-LADGPHEKSA-N 2 1 375.516 3.682 20 30 GHEDMP C=CC[N@@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)Cc1ccccc1 ZINC000554852861 865046895 /nfs/dbraw/zinc/04/68/95/865046895.db2.gz SYPXWFQUBXXWEB-UHFFFAOYSA-N 2 1 391.559 3.764 20 30 GHEDMP C=CC[N@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)Cc1ccccc1 ZINC000554852861 865046904 /nfs/dbraw/zinc/04/69/04/865046904.db2.gz SYPXWFQUBXXWEB-UHFFFAOYSA-N 2 1 391.559 3.764 20 30 GHEDMP CC[N@@H+](CCC1CC[NH+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1)CC(C)C ZINC000540195814 870733811 /nfs/dbraw/zinc/73/38/11/870733811.db2.gz HPFQRLIWMHIXDC-QHCPKHFHSA-N 2 1 396.579 3.744 20 30 GHEDMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccc(OCC#N)cc1 ZINC000181478230 871053408 /nfs/dbraw/zinc/05/34/08/871053408.db2.gz YRVKFOBHQVUIQZ-HYBUGGRVSA-N 2 1 392.547 3.618 20 30 GHEDMP N#Cc1ccc(C[NH+]2CCC(NC[C@H]3CCC[N@@H+]3Cc3ccccc3)CC2)cc1 ZINC000181753866 871461357 /nfs/dbraw/zinc/46/13/57/871461357.db2.gz RKOBICCVHIVKIB-RUZDIDTESA-N 2 1 388.559 3.777 20 30 GHEDMP N#Cc1ccc(C[NH+]2CCC(NC[C@H]3CCC[N@H+]3Cc3ccccc3)CC2)cc1 ZINC000181753866 871461368 /nfs/dbraw/zinc/46/13/68/871461368.db2.gz RKOBICCVHIVKIB-RUZDIDTESA-N 2 1 388.559 3.777 20 30 GHEDMP Cc1nnc(-c2cccc(C#N)c2)n1C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000739857232 871591791 /nfs/dbraw/zinc/59/17/91/871591791.db2.gz KSQPEQGDCGOEGR-GHTZIAJQSA-N 2 1 392.551 3.669 20 30 GHEDMP Cc1nnc(-c2cccc(C#N)c2)n1C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000739857232 871591804 /nfs/dbraw/zinc/59/18/04/871591804.db2.gz KSQPEQGDCGOEGR-GHTZIAJQSA-N 2 1 392.551 3.669 20 30 GHEDMP Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000739857232 871591810 /nfs/dbraw/zinc/59/18/10/871591810.db2.gz KSQPEQGDCGOEGR-GHTZIAJQSA-N 2 1 392.551 3.669 20 30 GHEDMP Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000739857232 871591822 /nfs/dbraw/zinc/59/18/22/871591822.db2.gz KSQPEQGDCGOEGR-GHTZIAJQSA-N 2 1 392.551 3.669 20 30 GHEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000478054773 872391009 /nfs/dbraw/zinc/39/10/09/872391009.db2.gz SFVAFNGXVCCOBB-LJQANCHMSA-N 2 1 382.552 3.863 20 30 GHEDMP CC[NH+](CC)CCOC1CC[NH+](Cc2cc(C#N)ccc2Br)CC1 ZINC000492488782 876958225 /nfs/dbraw/zinc/95/82/25/876958225.db2.gz VJBCSXNKXWBMPD-UHFFFAOYSA-N 2 1 394.357 3.644 20 30 GHEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(-c4ccccc4C#N)cc3)C2)CC1 ZINC000532567555 886123080 /nfs/dbraw/zinc/12/30/80/886123080.db2.gz YDXFSIRDZDSGCM-XMMPIXPASA-N 2 1 388.559 3.826 20 30 GHEDMP C[NH+](C)CC1CC[NH+](c2ccc(NCc3cc(C#N)cnc3Cl)cc2)CC1 ZINC000876865488 893366569 /nfs/dbraw/zinc/36/65/69/893366569.db2.gz BFXHESXSQWGXCQ-UHFFFAOYSA-N 2 1 383.927 3.997 20 30 GHEDMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000536695071 893559241 /nfs/dbraw/zinc/55/92/41/893559241.db2.gz KPOAWEUOLMLPBB-HXUWFJFHSA-N 2 1 377.536 3.627 20 30 GHEDMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000536695071 893559256 /nfs/dbraw/zinc/55/92/56/893559256.db2.gz KPOAWEUOLMLPBB-HXUWFJFHSA-N 2 1 377.536 3.627 20 30 GHEDMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000536695071 893559273 /nfs/dbraw/zinc/55/92/73/893559273.db2.gz KPOAWEUOLMLPBB-HXUWFJFHSA-N 2 1 377.536 3.627 20 30 GHEDMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000536695071 893559288 /nfs/dbraw/zinc/55/92/88/893559288.db2.gz KPOAWEUOLMLPBB-HXUWFJFHSA-N 2 1 377.536 3.627 20 30 GHEDMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000819100715 896376226 /nfs/dbraw/zinc/37/62/26/896376226.db2.gz REUMGXHHJKARFY-HSZRJFAPSA-N 2 1 375.472 3.606 20 30 GHEDMP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(N(C)CCC#N)cc2)cc1F ZINC000067977644 901071269 /nfs/dbraw/zinc/07/12/69/901071269.db2.gz PYPXUCGIPWQZEE-UHFFFAOYSA-N 2 1 377.467 3.960 20 30 GHEDMP C=CCOC1CCC([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)CC1 ZINC001173322078 906372542 /nfs/dbraw/zinc/37/25/42/906372542.db2.gz YOMJGKALPGOSIG-KDWIUMRBSA-N 2 1 386.584 3.570 20 30 GHEDMP C=CCOC1CCC([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)CC1 ZINC001173322078 906372550 /nfs/dbraw/zinc/37/25/50/906372550.db2.gz YOMJGKALPGOSIG-KDWIUMRBSA-N 2 1 386.584 3.570 20 30 GHEDMP C=CCOC1CCC([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)CC1 ZINC001173322078 906372560 /nfs/dbraw/zinc/37/25/60/906372560.db2.gz YOMJGKALPGOSIG-KDWIUMRBSA-N 2 1 386.584 3.570 20 30 GHEDMP C=CCOC1CCC([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)CC1 ZINC001173322078 906372569 /nfs/dbraw/zinc/37/25/69/906372569.db2.gz YOMJGKALPGOSIG-KDWIUMRBSA-N 2 1 386.584 3.570 20 30 GHEDMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](C1CCC(C)(C#N)CC1)CC2 ZINC001173595561 906548839 /nfs/dbraw/zinc/54/88/39/906548839.db2.gz RLVKWZCJJVYDJC-KOENEWCDSA-N 2 1 396.579 3.857 20 30 GHEDMP C[N@H+]1CCC[C@H](CNC(=[NH2+])N2CCCCC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000304758239 915673959 /nfs/dbraw/zinc/67/39/59/915673959.db2.gz PSNLVUCEIPDXKY-SJLPKXTDSA-N 2 1 382.474 3.889 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000363371292 918164245 /nfs/dbraw/zinc/16/42/45/918164245.db2.gz DXTBMYSPUQVHQB-HZPDHXFCSA-N 2 1 395.341 3.739 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000363371292 918164254 /nfs/dbraw/zinc/16/42/54/918164254.db2.gz DXTBMYSPUQVHQB-HZPDHXFCSA-N 2 1 395.341 3.739 20 30 GHEDMP C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000558413234 931987514 /nfs/dbraw/zinc/98/75/14/931987514.db2.gz GZYXTYDIKBBQAD-UHFFFAOYSA-N 2 1 397.563 3.882 20 30 GHEDMP C=CCc1cccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c1O ZINC001138627136 1025125524 /nfs/dbraw/zinc/12/55/24/1025125524.db2.gz XUGFWMQBNOFACN-OAQYLSRUSA-N 2 1 396.531 3.969 20 30 GHEDMP C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001207289857 1034241037 /nfs/dbraw/zinc/24/10/37/1034241037.db2.gz XYGFCWQHTYHUPE-DQEYMECFSA-N 2 1 398.591 3.972 20 30 GHEDMP C[N@@H+](Cc1ccc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)nc1)C1CC1 ZINC001160107367 1034863379 /nfs/dbraw/zinc/86/33/79/1034863379.db2.gz LKMLCLLSGMQDMK-UHFFFAOYSA-N 2 1 375.520 3.646 20 30 GHEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H](C)CC(C)(C)SCc1ccco1 ZINC001246306618 1037286247 /nfs/dbraw/zinc/28/62/47/1037286247.db2.gz XCZLEROMHHXEFX-WMZOPIPTSA-N 2 1 382.570 3.886 20 30 GHEDMP CN(CCC#N)c1ccc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1 ZINC001235375382 1040885867 /nfs/dbraw/zinc/88/58/67/1040885867.db2.gz ZNURZLSCNDLTRS-ZCYQVOJMSA-N 2 1 388.559 3.790 20 30 GHEDMP C=C1C[C@@H]2CC([N@H+]3CC[C@@H]4C[NH+](Cc5cccnc5)CCO[C@@H]4C3)C[C@H](C1)C2 ZINC001257893075 1044248577 /nfs/dbraw/zinc/24/85/77/1044248577.db2.gz LZMJZPTZYKITIB-ZVFPPSPPSA-N 2 1 381.564 3.739 20 30 GHEDMP C=C1C[C@@H]2CC([NH+]3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)C[C@H](C1)C2 ZINC001257893075 1044248583 /nfs/dbraw/zinc/24/85/83/1044248583.db2.gz LZMJZPTZYKITIB-ZVFPPSPPSA-N 2 1 381.564 3.739 20 30 GHEDMP C=C1C[C@@H]2CC([NH+]3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)C[C@H](C1)C2 ZINC001257893075 1044248599 /nfs/dbraw/zinc/24/85/99/1044248599.db2.gz LZMJZPTZYKITIB-ZVFPPSPPSA-N 2 1 381.564 3.739 20 30 GHEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258141941 1044428755 /nfs/dbraw/zinc/42/87/55/1044428755.db2.gz QEHQEUSCYZIXNW-BJKOFHAPSA-N 2 1 384.564 3.520 20 30 GHEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258141941 1044428757 /nfs/dbraw/zinc/42/87/57/1044428757.db2.gz QEHQEUSCYZIXNW-BJKOFHAPSA-N 2 1 384.564 3.520 20 30 GHEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCc2ccccn2)C1 ZINC001258728951 1044735633 /nfs/dbraw/zinc/73/56/33/1044735633.db2.gz RVXTXJATEAHIOW-KIFXHHALSA-N 2 1 383.580 3.987 20 30 GHEDMP C=CCC[C@@H](C)[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1ccccn1 ZINC001258728951 1044735638 /nfs/dbraw/zinc/73/56/38/1044735638.db2.gz RVXTXJATEAHIOW-KIFXHHALSA-N 2 1 383.580 3.987 20 30 GHEDMP C=CCC[C@@H](C)[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1ccccn1 ZINC001258728951 1044735651 /nfs/dbraw/zinc/73/56/51/1044735651.db2.gz RVXTXJATEAHIOW-KIFXHHALSA-N 2 1 383.580 3.987 20 30 GHEDMP COc1cc(C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)ccc1C#N ZINC001308548470 1050005169 /nfs/dbraw/zinc/00/51/69/1050005169.db2.gz VKKULBMZYRFWEL-VJBWXMMDSA-N 2 1 375.516 3.957 20 30 GHEDMP CN1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CCCCc4cc(C#N)ccc43)c2)CC1 ZINC001322475773 1056721887 /nfs/dbraw/zinc/72/18/87/1056721887.db2.gz NCJGQOJAIZSQLT-RUZDIDTESA-N 2 1 388.559 3.863 20 30 GHEDMP CCOCCC[N@H+]1CC[C@@H](NCC#Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000246335253 834864227 /nfs/dbraw/zinc/86/42/27/834864227.db2.gz GLPHQWLWRDATPZ-FXAWDEMLSA-N 2 1 382.470 3.784 20 30 GHEDMP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179391910 835669253 /nfs/dbraw/zinc/66/92/53/835669253.db2.gz QYNNAEPFKFVZSQ-GOSISDBHSA-N 2 1 391.519 3.519 20 30 GHEDMP [NH2+]=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1ccccc1OC(F)(F)F ZINC000160604925 840039601 /nfs/dbraw/zinc/03/96/01/840039601.db2.gz NUEVFGCLSSYLGP-CQSZACIVSA-N 2 1 382.386 3.742 20 30 GHEDMP C=C(C)C[NH+]1CCC(NC(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000509727154 840117770 /nfs/dbraw/zinc/11/77/70/840117770.db2.gz DFJGHUILOKOYPR-IRLDBZIGSA-N 2 1 398.595 3.627 20 30 GHEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185698824 861208874 /nfs/dbraw/zinc/20/88/74/861208874.db2.gz JMDUGYRVZUHORS-GBESFXJTSA-N 2 1 389.609 3.894 20 30 GHEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185698824 861208887 /nfs/dbraw/zinc/20/88/87/861208887.db2.gz JMDUGYRVZUHORS-GBESFXJTSA-N 2 1 389.609 3.894 20 30 GHEDMP C=CC[C@]1(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CCC[NH2+]1 ZINC000662796439 841641162 /nfs/dbraw/zinc/64/11/62/841641162.db2.gz KYIZUNZXASRCPH-HXUWFJFHSA-N 2 1 396.362 3.772 20 30 GHEDMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(C(C)(C)C#N)cc3)c2)CCO1 ZINC000594495586 841708349 /nfs/dbraw/zinc/70/83/49/841708349.db2.gz CJHRUXOKBSRDDZ-LJQANCHMSA-N 2 1 377.532 3.998 20 30 GHEDMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(C(C)(C)C#N)cc3)c2)CCO1 ZINC000594495586 841708351 /nfs/dbraw/zinc/70/83/51/841708351.db2.gz CJHRUXOKBSRDDZ-LJQANCHMSA-N 2 1 377.532 3.998 20 30 GHEDMP C=C(C)CN(CC)C(=O)[C@H](C)Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000161196253 846707754 /nfs/dbraw/zinc/70/77/54/846707754.db2.gz ZIKPWOFPUNLDOL-IBGZPJMESA-N 2 1 386.584 3.690 20 30 GHEDMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1C ZINC000328886449 854597062 /nfs/dbraw/zinc/59/70/62/854597062.db2.gz OWPNAVCTGNRHDE-DNDRQTMDSA-N 2 1 392.588 3.671 20 30 GHEDMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1C ZINC000328886449 854597066 /nfs/dbraw/zinc/59/70/66/854597066.db2.gz OWPNAVCTGNRHDE-DNDRQTMDSA-N 2 1 392.588 3.671 20 30 GHEDMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1C ZINC000328886449 854597072 /nfs/dbraw/zinc/59/70/72/854597072.db2.gz OWPNAVCTGNRHDE-DNDRQTMDSA-N 2 1 392.588 3.671 20 30 GHEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000330218080 862669788 /nfs/dbraw/zinc/66/97/88/862669788.db2.gz OJDTUUZCFLEUMK-YLJYHZDGSA-N 2 1 386.584 3.710 20 30 GHEDMP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000057843858 855739228 /nfs/dbraw/zinc/73/92/28/855739228.db2.gz WASVOVSNGHIUAQ-HXUWFJFHSA-N 2 1 396.579 3.562 20 30 GHEDMP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(C(C)(C)C#N)cc3)cc2)CC1 ZINC000594495861 858191315 /nfs/dbraw/zinc/19/13/15/858191315.db2.gz UBBONZKGXHZVOW-UHFFFAOYSA-N 2 1 376.548 3.525 20 30 GHEDMP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000158858340 858413195 /nfs/dbraw/zinc/41/31/95/858413195.db2.gz ZWHJLBAPCJBKHI-UXHICEINSA-N 2 1 388.600 3.694 20 30 GHEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2ccccc2)cc1 ZINC000183682177 858795922 /nfs/dbraw/zinc/79/59/22/858795922.db2.gz UKZCYMYIMVBDQN-GOSISDBHSA-N 2 1 387.487 3.778 20 30 GHEDMP CCC1([NH+](C)C)CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000602967926 860399270 /nfs/dbraw/zinc/39/92/70/860399270.db2.gz UWEFLMXYFIULQQ-UHFFFAOYSA-N 2 1 388.581 3.633 20 30 GHEDMP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(F)c(C#N)c3)C2)ccn1 ZINC000856599637 881574238 /nfs/dbraw/zinc/57/42/38/881574238.db2.gz LTUKWTOPUHKGRD-OAQYLSRUSA-N 2 1 382.483 3.586 20 30 GHEDMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(F)c(C#N)c3)C2)ccn1 ZINC000856599637 881574258 /nfs/dbraw/zinc/57/42/58/881574258.db2.gz LTUKWTOPUHKGRD-OAQYLSRUSA-N 2 1 382.483 3.586 20 30 GHEDMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)ccn1 ZINC000856599637 881574276 /nfs/dbraw/zinc/57/42/76/881574276.db2.gz LTUKWTOPUHKGRD-OAQYLSRUSA-N 2 1 382.483 3.586 20 30 GHEDMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)ccn1 ZINC000856599637 881574286 /nfs/dbraw/zinc/57/42/86/881574286.db2.gz LTUKWTOPUHKGRD-OAQYLSRUSA-N 2 1 382.483 3.586 20 30 GHEDMP C=CC[NH+]1CCC(NC(=O)Nc2nc3ccc(C[N@H+](C)C4CC4)cc3s2)CC1 ZINC000667610477 863949533 /nfs/dbraw/zinc/94/95/33/863949533.db2.gz GBAZFCJNLLAKGB-UHFFFAOYSA-N 2 1 399.564 3.662 20 30 GHEDMP CCCC[N@@H+](C)CC1CC[NH+](Cn2c(C)nnc2-c2cccc(C#N)c2)CC1 ZINC000739858735 865802953 /nfs/dbraw/zinc/80/29/53/865802953.db2.gz QEVIACURLVHWCN-UHFFFAOYSA-N 2 1 380.540 3.527 20 30 GHEDMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000304475368 866498195 /nfs/dbraw/zinc/49/81/95/866498195.db2.gz HBWABCYQGOLGCK-AVRDEDQJSA-N 2 1 392.547 3.989 20 30 GHEDMP CCC[N@H+](CC#Cc1ccc(F)cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000121577118 882171008 /nfs/dbraw/zinc/17/10/08/882171008.db2.gz OCJVPQLUYDHYFC-UHFFFAOYSA-N 2 1 380.511 3.965 20 30 GHEDMP CCC[N@@H+](CC#Cc1ccc(F)cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000121577118 882171015 /nfs/dbraw/zinc/17/10/15/882171015.db2.gz OCJVPQLUYDHYFC-UHFFFAOYSA-N 2 1 380.511 3.965 20 30 GHEDMP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000859215857 883670382 /nfs/dbraw/zinc/67/03/82/883670382.db2.gz SYYJJGBXLYUCOX-UHFFFAOYSA-N 2 1 392.547 3.744 20 30 GHEDMP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000859215857 883670400 /nfs/dbraw/zinc/67/04/00/883670400.db2.gz SYYJJGBXLYUCOX-UHFFFAOYSA-N 2 1 392.547 3.744 20 30 GHEDMP N#CC1(c2ccccc2)CCC([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000536637654 888694745 /nfs/dbraw/zinc/69/47/45/888694745.db2.gz JJNUAQUTICNGNC-STEQJIOHSA-N 2 1 389.543 3.617 20 30 GHEDMP N#CC1(c2ccccc2)CCC([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000536637654 888694754 /nfs/dbraw/zinc/69/47/54/888694754.db2.gz JJNUAQUTICNGNC-STEQJIOHSA-N 2 1 389.543 3.617 20 30 GHEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000876888832 893373549 /nfs/dbraw/zinc/37/35/49/893373549.db2.gz GYEKALTVXKZRNQ-MRXNPFEDSA-N 2 1 390.742 3.544 20 30 GHEDMP CC[N@@H+](CCC1CCN(CC(=O)Nc2oc(C)c(C)c2C#N)CC1)CC1CC1 ZINC000536736869 893701063 /nfs/dbraw/zinc/70/10/63/893701063.db2.gz FOOCAANSFZMCPN-UHFFFAOYSA-N 2 1 386.540 3.541 20 30 GHEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000564844562 895278200 /nfs/dbraw/zinc/27/82/00/895278200.db2.gz JEKYTMQSVNEGOP-JWQCQUIFSA-N 2 1 394.559 3.702 20 30 GHEDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)[C@@H](C)C1 ZINC000571846758 899988261 /nfs/dbraw/zinc/98/82/61/899988261.db2.gz GTEXWFAXYMQWCG-KXBFYZLASA-N 2 1 383.458 3.804 20 30 GHEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)[C@@H](C)C1 ZINC000571846758 899988273 /nfs/dbraw/zinc/98/82/73/899988273.db2.gz GTEXWFAXYMQWCG-KXBFYZLASA-N 2 1 383.458 3.804 20 30 GHEDMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCC(=O)Nc3ccccc3C#N)C2)s1 ZINC000575806003 901323691 /nfs/dbraw/zinc/32/36/91/901323691.db2.gz PYECRONUKRDGGQ-SFHVURJKSA-N 2 1 396.560 3.711 20 30 GHEDMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCC(=O)Nc3ccccc3C#N)C2)s1 ZINC000575806003 901323749 /nfs/dbraw/zinc/32/37/49/901323749.db2.gz PYECRONUKRDGGQ-SFHVURJKSA-N 2 1 396.560 3.711 20 30 GHEDMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCC(=O)Nc3ccccc3C#N)C2)s1 ZINC000575806003 901323773 /nfs/dbraw/zinc/32/37/73/901323773.db2.gz PYECRONUKRDGGQ-SFHVURJKSA-N 2 1 396.560 3.711 20 30 GHEDMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000600726360 902849092 /nfs/dbraw/zinc/84/90/92/902849092.db2.gz SOIBRNPMPFDTHP-NZSAHSFTSA-N 2 1 395.469 3.733 20 30 GHEDMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000600726360 902849100 /nfs/dbraw/zinc/84/91/00/902849100.db2.gz SOIBRNPMPFDTHP-NZSAHSFTSA-N 2 1 395.469 3.733 20 30 GHEDMP C=CCOCc1nn([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2c1C[NH2+]C2 ZINC001172073392 905277458 /nfs/dbraw/zinc/27/74/58/905277458.db2.gz VXJYMNWDBUXEOC-AERCQKQUSA-N 2 1 392.547 3.947 20 30 GHEDMP CC(C)C[N@@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172978485 906046374 /nfs/dbraw/zinc/04/63/74/906046374.db2.gz QTKVGOVEEPQAMK-VJANTYMQSA-N 2 1 378.561 3.506 20 30 GHEDMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000181518540 907018625 /nfs/dbraw/zinc/01/86/25/907018625.db2.gz MUHIXHAKHMYJDO-FQEVSTJZSA-N 2 1 392.547 3.577 20 30 GHEDMP CC[NH+]1CCN(CCCCNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)CC1 ZINC000266998672 909362143 /nfs/dbraw/zinc/36/21/43/909362143.db2.gz ZGBJNGNKXQSUQB-UHFFFAOYSA-N 2 1 395.551 3.623 20 30 GHEDMP C[N@H+]1CC[C@H](CNC(=[NH2+])NCCc2cccs2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000305711962 916249371 /nfs/dbraw/zinc/24/93/71/916249371.db2.gz YBXYQYMUUOMOOE-RDTXWAMCSA-N 2 1 394.947 3.680 20 30 GHEDMP CCC[N@H+](CCOc1cccc(C#N)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114198007 919385068 /nfs/dbraw/zinc/38/50/68/919385068.db2.gz DTGIFYHSEZRQTG-UHFFFAOYSA-N 2 1 393.535 3.725 20 30 GHEDMP CCC[N@@H+](CCOc1cccc(C#N)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114198007 919385103 /nfs/dbraw/zinc/38/51/03/919385103.db2.gz DTGIFYHSEZRQTG-UHFFFAOYSA-N 2 1 393.535 3.725 20 30 GHEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000411470388 926429421 /nfs/dbraw/zinc/42/94/21/926429421.db2.gz CANYAGKIGOZPPM-OPAMFIHVSA-N 2 1 385.471 3.509 20 30 GHEDMP C=CCOc1c(Br)cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000469884381 930234797 /nfs/dbraw/zinc/23/47/97/930234797.db2.gz NDLQSWXSPZXNSC-ZMSDIMECSA-N 2 1 395.341 3.582 20 30 GHEDMP C=CCOc1c(Br)cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000469884381 930234800 /nfs/dbraw/zinc/23/48/00/930234800.db2.gz NDLQSWXSPZXNSC-ZMSDIMECSA-N 2 1 395.341 3.582 20 30 GHEDMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000924753401 931525690 /nfs/dbraw/zinc/52/56/90/931525690.db2.gz PFZDPJYKBQRIEL-RBUKOAKNSA-N 2 1 392.588 3.627 20 30 GHEDMP C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000926573904 932231573 /nfs/dbraw/zinc/23/15/73/932231573.db2.gz QKWUVXUTJAXMHK-MOPGFXCFSA-N 2 1 392.588 3.627 20 30 GHEDMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)cc1 ZINC001204270131 1032713301 /nfs/dbraw/zinc/71/33/01/1032713301.db2.gz PVDYBHIYPCJQBE-XMMPIXPASA-N 2 1 393.531 3.932 20 30 GHEDMP COC[C@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+](Cc1ccccc1C#N)CC2 ZINC001204367684 1032809849 /nfs/dbraw/zinc/80/98/49/1032809849.db2.gz OYJZLZAXDMPMCR-HXUWFJFHSA-N 2 1 396.560 3.518 20 30 GHEDMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CCN(Cc1ccc(F)cc1C#N)CC2 ZINC001141163769 1023990061 /nfs/dbraw/zinc/99/00/61/1023990061.db2.gz RWBZDXMRJAGORC-FQEVSTJZSA-N 2 1 383.467 3.546 20 30 GHEDMP CN(Cc1ccco1)[C@@H]1COC2(C1)CCN(Cc1ccc(F)cc1C#N)CC2 ZINC001141163769 1023990066 /nfs/dbraw/zinc/99/00/66/1023990066.db2.gz RWBZDXMRJAGORC-FQEVSTJZSA-N 2 1 383.467 3.546 20 30 GHEDMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001140137643 1026911552 /nfs/dbraw/zinc/91/15/52/1026911552.db2.gz QPRWVWDDNABGFU-QTGUNEKASA-N 2 1 378.495 3.825 20 30 GHEDMP CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]21 ZINC001140137643 1026911557 /nfs/dbraw/zinc/91/15/57/1026911557.db2.gz QPRWVWDDNABGFU-QTGUNEKASA-N 2 1 378.495 3.825 20 30 GHEDMP COC[C@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+](Cc1cccc(C#N)c1)CC2 ZINC001203757259 1027580337 /nfs/dbraw/zinc/58/03/37/1027580337.db2.gz IRBUOSIDNRLDDX-HXUWFJFHSA-N 2 1 396.560 3.518 20 30 GHEDMP COC[C@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](Cc1cccc(C#N)c1)CC2 ZINC001203757259 1027580342 /nfs/dbraw/zinc/58/03/42/1027580342.db2.gz IRBUOSIDNRLDDX-HXUWFJFHSA-N 2 1 396.560 3.518 20 30 GHEDMP N#Cc1ccc(C2CC[NH+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)cc1 ZINC001206727552 1033959135 /nfs/dbraw/zinc/95/91/35/1033959135.db2.gz GRRPTFCFPNBXFB-UHFFFAOYSA-N 2 1 375.516 3.770 20 30 GHEDMP N#Cc1ccc(CCC[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)cc1 ZINC001208859173 1035062831 /nfs/dbraw/zinc/06/28/31/1035062831.db2.gz MLCHIAQREMMHBE-UHFFFAOYSA-N 2 1 395.572 3.919 20 30 GHEDMP N#Cc1ccc(CCC[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)cc1 ZINC001208859173 1035062837 /nfs/dbraw/zinc/06/28/37/1035062837.db2.gz MLCHIAQREMMHBE-UHFFFAOYSA-N 2 1 395.572 3.919 20 30 GHEDMP CCCCCCCCOC(=O)[C@H]([NH3+])Cc1cn([C@@H]2CC[NH2+]C2)c2ccccc12 ZINC001246282401 1037275826 /nfs/dbraw/zinc/27/58/26/1037275826.db2.gz BOTMOWMSFUPYPK-TZIWHRDSSA-N 2 1 385.552 3.949 20 30 GHEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@H+]([C@@H]3CCN[C@@H](c4ccccc4)C3)C2)C1 ZINC001246546896 1037473726 /nfs/dbraw/zinc/47/37/26/1037473726.db2.gz FGFFCHTVRZCZEI-MQSCRBSSSA-N 2 1 383.536 3.590 20 30 GHEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+]([C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)C2)C1 ZINC001246546896 1037473743 /nfs/dbraw/zinc/47/37/43/1037473743.db2.gz FGFFCHTVRZCZEI-MQSCRBSSSA-N 2 1 383.536 3.590 20 30 GHEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@H+]([C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)C2)C1 ZINC001246546896 1037473755 /nfs/dbraw/zinc/47/37/55/1037473755.db2.gz FGFFCHTVRZCZEI-MQSCRBSSSA-N 2 1 383.536 3.590 20 30 GHEDMP C=CCN1CC[C@@]2(C[N@@H+]([C@@H]3CC[NH2+][C@@H](C(C)(C)C)C3)C[C@@H]2c2ccccc2)C1=O ZINC001246705952 1037558241 /nfs/dbraw/zinc/55/82/41/1037558241.db2.gz ZKNCRDRTAWUGDV-XAISMOLKSA-N 2 1 395.591 3.657 20 30 GHEDMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(C#N)s1)CC2 ZINC001232843494 1038594701 /nfs/dbraw/zinc/59/47/01/1038594701.db2.gz YXPPCVUMITXLNQ-LJQANCHMSA-N 2 1 381.545 3.875 20 30 GHEDMP CCCCCCCC[C@@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001252140156 1038889539 /nfs/dbraw/zinc/88/95/39/1038889539.db2.gz LTABXKHIWXNCEG-ZLNRFVROSA-N 2 1 376.585 3.571 20 30 GHEDMP CCCCCCCC[C@@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001252140156 1038889552 /nfs/dbraw/zinc/88/95/52/1038889552.db2.gz LTABXKHIWXNCEG-ZLNRFVROSA-N 2 1 376.585 3.571 20 30 GHEDMP CC(C)(C)[C@]1(C[NH2+]CCNc2ncccc2C#N)CC[N@@H+](Cc2ccccc2)C1 ZINC001462685834 1070469705 /nfs/dbraw/zinc/46/97/05/1070469705.db2.gz JJGVGFIJQSPYSN-DEOSSOPVSA-N 2 1 391.563 3.893 20 30 GHEDMP C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](C1CCN(CCc3ccccc3)CC1)C2 ZINC001258142216 1044429268 /nfs/dbraw/zinc/42/92/68/1044429268.db2.gz DMGDYHMZXSDUPY-DQEYMECFSA-N 2 1 398.591 3.767 20 30 GHEDMP C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258142216 1044429276 /nfs/dbraw/zinc/42/92/76/1044429276.db2.gz DMGDYHMZXSDUPY-DQEYMECFSA-N 2 1 398.591 3.767 20 30 GHEDMP C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258142216 1044429283 /nfs/dbraw/zinc/42/92/83/1044429283.db2.gz DMGDYHMZXSDUPY-DQEYMECFSA-N 2 1 398.591 3.767 20 30 GHEDMP C#Cc1ccc(NC(=O)CC[N@H+](C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001307509905 1049350854 /nfs/dbraw/zinc/35/08/54/1049350854.db2.gz MUQFSOTYPZIYQB-RDPSFJRHSA-N 2 1 389.543 3.981 20 30 GHEDMP C#Cc1ccc(NC(=O)CC[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001307509905 1049350868 /nfs/dbraw/zinc/35/08/68/1049350868.db2.gz MUQFSOTYPZIYQB-RDPSFJRHSA-N 2 1 389.543 3.981 20 30 GHEDMP C#Cc1ccc(NC(=O)CC[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001307509905 1049350883 /nfs/dbraw/zinc/35/08/83/1049350883.db2.gz MUQFSOTYPZIYQB-RDPSFJRHSA-N 2 1 389.543 3.981 20 30 GHEDMP C#Cc1ccc(NC(=O)CC[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001307509905 1049350895 /nfs/dbraw/zinc/35/08/95/1049350895.db2.gz MUQFSOTYPZIYQB-RDPSFJRHSA-N 2 1 389.543 3.981 20 30 GHEDMP C#Cc1ccc(NC(=O)CC[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001307509905 1049350909 /nfs/dbraw/zinc/35/09/09/1049350909.db2.gz MUQFSOTYPZIYQB-RDPSFJRHSA-N 2 1 389.543 3.981 20 30 GHEDMP N#CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001342063146 1061034957 /nfs/dbraw/zinc/03/49/57/1061034957.db2.gz LOUUFPZEYNUQGJ-GMKZXUHWSA-N 2 1 375.516 3.979 20 30 GHEDMP C#Cc1ccc(NC(=O)CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC001473416939 1073955451 /nfs/dbraw/zinc/95/54/51/1073955451.db2.gz WAUZIKYYCLVIBL-HSZRJFAPSA-N 2 1 389.543 3.887 20 30 GHEDMP C#Cc1ccc(NC(=O)CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC001473416939 1073955453 /nfs/dbraw/zinc/95/54/53/1073955453.db2.gz WAUZIKYYCLVIBL-HSZRJFAPSA-N 2 1 389.543 3.887 20 30 GHEDMP C=CCOc1cccc(C[NH2+]Cc2ccc(C[NH+]3CCN(CC)CC3)cc2)c1 ZINC001473935592 1074210834 /nfs/dbraw/zinc/21/08/34/1074210834.db2.gz LWIGYNFOIUFWRL-UHFFFAOYSA-N 2 1 379.548 3.679 20 30 GHEDMP CN(C)c1ccc(C#N)cc1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC001474342936 1074353217 /nfs/dbraw/zinc/35/32/17/1074353217.db2.gz HVLZRKLMYCXTOL-UHFFFAOYSA-N 2 1 376.548 3.968 20 30 GHEDMP C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000245966823 835755147 /nfs/dbraw/zinc/75/51/47/835755147.db2.gz DUAXAYIKMFZVSL-RTBURBONSA-N 2 1 382.552 3.862 20 30 GHEDMP C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000245966823 835755154 /nfs/dbraw/zinc/75/51/54/835755154.db2.gz DUAXAYIKMFZVSL-RTBURBONSA-N 2 1 382.552 3.862 20 30 GHEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000151171319 847476188 /nfs/dbraw/zinc/47/61/88/847476188.db2.gz LOKSCHPFUFWZNM-LJQANCHMSA-N 2 1 382.552 3.863 20 30 GHEDMP C=C(C)[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc(F)c(F)c1 ZINC000481603496 861850900 /nfs/dbraw/zinc/85/09/00/861850900.db2.gz YWSCYJCLODDDDY-RBBKRZOGSA-N 2 1 387.474 3.591 20 30 GHEDMP CCC[N@H+](Cc1ccc(OC)c(C#N)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000135191247 848034228 /nfs/dbraw/zinc/03/42/28/848034228.db2.gz LIIMNZCBTRQDOP-UHFFFAOYSA-N 2 1 393.535 3.855 20 30 GHEDMP CCC[N@@H+](Cc1ccc(OC)c(C#N)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000135191247 848034233 /nfs/dbraw/zinc/03/42/33/848034233.db2.gz LIIMNZCBTRQDOP-UHFFFAOYSA-N 2 1 393.535 3.855 20 30 GHEDMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000438449190 852412955 /nfs/dbraw/zinc/41/29/55/852412955.db2.gz BGXXEESSDWBAKC-XXBNENTESA-N 2 1 390.531 3.872 20 30 GHEDMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000438449190 852412958 /nfs/dbraw/zinc/41/29/58/852412958.db2.gz BGXXEESSDWBAKC-XXBNENTESA-N 2 1 390.531 3.872 20 30 GHEDMP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2cccc(C#N)c2)CC[NH+]1Cc1ccccc1 ZINC000438449190 852412963 /nfs/dbraw/zinc/41/29/63/852412963.db2.gz BGXXEESSDWBAKC-XXBNENTESA-N 2 1 390.531 3.872 20 30 GHEDMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2cccc(C#N)c2)CC[NH+]1Cc1ccccc1 ZINC000438449190 852412969 /nfs/dbraw/zinc/41/29/69/852412969.db2.gz BGXXEESSDWBAKC-XXBNENTESA-N 2 1 390.531 3.872 20 30 GHEDMP N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)nc1 ZINC000591037629 855731066 /nfs/dbraw/zinc/73/10/66/855731066.db2.gz DECDJQUBOZGYMS-QFIPXVFZSA-N 2 1 376.504 3.592 20 30 GHEDMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000113322788 858939764 /nfs/dbraw/zinc/93/97/64/858939764.db2.gz OYHSYTXAUPLPDN-PMACEKPBSA-N 2 1 379.552 3.921 20 30 GHEDMP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(C#N)cc3F)C2)ccn1 ZINC000856560461 881440737 /nfs/dbraw/zinc/44/07/37/881440737.db2.gz NAPNXWDWZZWVMD-OAQYLSRUSA-N 2 1 382.483 3.586 20 30 GHEDMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(C#N)cc3F)C2)ccn1 ZINC000856560461 881440741 /nfs/dbraw/zinc/44/07/41/881440741.db2.gz NAPNXWDWZZWVMD-OAQYLSRUSA-N 2 1 382.483 3.586 20 30 GHEDMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)ccn1 ZINC000856560461 881440743 /nfs/dbraw/zinc/44/07/43/881440743.db2.gz NAPNXWDWZZWVMD-OAQYLSRUSA-N 2 1 382.483 3.586 20 30 GHEDMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)ccn1 ZINC000856560461 881440745 /nfs/dbraw/zinc/44/07/45/881440745.db2.gz NAPNXWDWZZWVMD-OAQYLSRUSA-N 2 1 382.483 3.586 20 30 GHEDMP C[NH+]=C(NCc1sc(C)nc1C)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000262362143 863249678 /nfs/dbraw/zinc/24/96/78/863249678.db2.gz GZHJCTMWPALSDA-YJBOKZPZSA-N 2 1 391.610 3.570 20 30 GHEDMP N#CCC[C@@H](C#N)C[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000554552346 864517416 /nfs/dbraw/zinc/51/74/16/864517416.db2.gz UJOKRVMRIBTXLG-NRFANRHFSA-N 2 1 387.531 3.542 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000608061418 864955362 /nfs/dbraw/zinc/95/53/62/864955362.db2.gz AFSCVECIPOBIMN-UKRRQHHQSA-N 2 1 383.330 3.595 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000608061418 864955367 /nfs/dbraw/zinc/95/53/67/864955367.db2.gz AFSCVECIPOBIMN-UKRRQHHQSA-N 2 1 383.330 3.595 20 30 GHEDMP Cc1nnc(-c2cccc(C#N)c2)n1C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000739857234 865803059 /nfs/dbraw/zinc/80/30/59/865803059.db2.gz KSQPEQGDCGOEGR-NQIIRXRSSA-N 2 1 392.551 3.669 20 30 GHEDMP Cc1nnc(-c2cccc(C#N)c2)n1C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000739857234 865803070 /nfs/dbraw/zinc/80/30/70/865803070.db2.gz KSQPEQGDCGOEGR-NQIIRXRSSA-N 2 1 392.551 3.669 20 30 GHEDMP Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000739857234 865803083 /nfs/dbraw/zinc/80/30/83/865803083.db2.gz KSQPEQGDCGOEGR-NQIIRXRSSA-N 2 1 392.551 3.669 20 30 GHEDMP Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000739857234 865803092 /nfs/dbraw/zinc/80/30/92/865803092.db2.gz KSQPEQGDCGOEGR-NQIIRXRSSA-N 2 1 392.551 3.669 20 30 GHEDMP C[N@H+]1CC[C@@H](CNC(=[NH2+])NCCc2cccs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000305711958 866627975 /nfs/dbraw/zinc/62/79/75/866627975.db2.gz YBXYQYMUUOMOOE-KSSFIOAISA-N 2 1 394.947 3.680 20 30 GHEDMP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@@H+](CC)[C@@H](C)C(C)C)c1=S ZINC000742549971 867365726 /nfs/dbraw/zinc/36/57/26/867365726.db2.gz ITSULXBYTWKXLQ-SFHVURJKSA-N 2 1 379.618 3.952 20 30 GHEDMP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@H+](CC)[C@@H](C)C(C)C)c1=S ZINC000742549971 867365742 /nfs/dbraw/zinc/36/57/42/867365742.db2.gz ITSULXBYTWKXLQ-SFHVURJKSA-N 2 1 379.618 3.952 20 30 GHEDMP C=CCOc1ccccc1C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000538723869 870519520 /nfs/dbraw/zinc/51/95/20/870519520.db2.gz DVYITPWXZYHPNC-UHFFFAOYSA-N 2 1 385.596 3.880 20 30 GHEDMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cc(C#N)ccc2F)CC1 ZINC000181626184 871294001 /nfs/dbraw/zinc/29/40/01/871294001.db2.gz ZGAXUAOSRJTFTR-INIZCTEOSA-N 2 1 384.474 3.829 20 30 GHEDMP CC[N@@H+](CCC1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1)CC(C)C ZINC000539098819 871308793 /nfs/dbraw/zinc/30/87/93/871308793.db2.gz XXVVWSPSQGOVKL-UHFFFAOYSA-N 2 1 384.568 3.967 20 30 GHEDMP CCC[N@H+](Cc1cccc(C#N)c1F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000539195334 871483747 /nfs/dbraw/zinc/48/37/47/871483747.db2.gz ZQYUGZJPLHIKFP-UHFFFAOYSA-N 2 1 381.499 3.985 20 30 GHEDMP CCC[N@@H+](Cc1cccc(C#N)c1F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000539195334 871483749 /nfs/dbraw/zinc/48/37/49/871483749.db2.gz ZQYUGZJPLHIKFP-UHFFFAOYSA-N 2 1 381.499 3.985 20 30 GHEDMP C=C(C)COc1cc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)ccc1OC ZINC000136565824 877258349 /nfs/dbraw/zinc/25/83/49/877258349.db2.gz PWGTXAPQFPIQJE-SFTDATJTSA-N 2 1 388.552 3.508 20 30 GHEDMP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214194 883666767 /nfs/dbraw/zinc/66/67/67/883666767.db2.gz FSRIZDBZYLNSHM-LJQANCHMSA-N 2 1 378.520 3.515 20 30 GHEDMP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214194 883666781 /nfs/dbraw/zinc/66/67/81/883666781.db2.gz FSRIZDBZYLNSHM-LJQANCHMSA-N 2 1 378.520 3.515 20 30 GHEDMP N#Cc1ccc([C@@H](O)C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000762927405 887116129 /nfs/dbraw/zinc/11/61/29/887116129.db2.gz SDDLCHCVLJEXHM-QHCPKHFHSA-N 2 1 375.516 3.580 20 30 GHEDMP C[N@H+]1CCC[C@H](CNC(=[NH2+])Nc2ccccn2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000262544890 892295719 /nfs/dbraw/zinc/29/57/19/892295719.db2.gz UOUJREQZNZZKOS-QAPCUYQASA-N 2 1 391.441 3.910 20 30 GHEDMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccccn2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000262544892 892296005 /nfs/dbraw/zinc/29/60/05/892296005.db2.gz UOUJREQZNZZKOS-YJBOKZPZSA-N 2 1 391.441 3.910 20 30 GHEDMP COC(=O)c1cccc(CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1C#N ZINC000533760727 892841886 /nfs/dbraw/zinc/84/18/86/892841886.db2.gz JKWSIGHOCASGRX-UHFFFAOYSA-N 2 1 391.515 3.689 20 30 GHEDMP COC(=O)c1cccc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c1C#N ZINC000533760727 892841913 /nfs/dbraw/zinc/84/19/13/892841913.db2.gz JKWSIGHOCASGRX-UHFFFAOYSA-N 2 1 391.515 3.689 20 30 GHEDMP COC(=O)c1cccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1C#N ZINC000533760727 892841930 /nfs/dbraw/zinc/84/19/30/892841930.db2.gz JKWSIGHOCASGRX-UHFFFAOYSA-N 2 1 391.515 3.689 20 30 GHEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)COC(c2ccccc2)c2ccccc2)CC1 ZINC000562985891 893245587 /nfs/dbraw/zinc/24/55/87/893245587.db2.gz UWXLWEZMVOROFO-XMMPIXPASA-N 2 1 394.559 3.784 20 30 GHEDMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCC(=O)Nc3ccccc3C#N)C2)s1 ZINC000575805983 901320723 /nfs/dbraw/zinc/32/07/23/901320723.db2.gz PYECRONUKRDGGQ-GOSISDBHSA-N 2 1 396.560 3.711 20 30 GHEDMP N#CCCn1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(-c2ccccc2)n1 ZINC000093563688 901554747 /nfs/dbraw/zinc/55/47/47/901554747.db2.gz VWGLHUQYAJMPAG-QFIPXVFZSA-N 2 1 377.536 3.914 20 30 GHEDMP N#CCCn1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(-c2ccccc2)n1 ZINC000093563688 901554802 /nfs/dbraw/zinc/55/48/02/901554802.db2.gz VWGLHUQYAJMPAG-QFIPXVFZSA-N 2 1 377.536 3.914 20 30 GHEDMP C[C@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1ccc(C#N)cc1 ZINC000181677170 907054962 /nfs/dbraw/zinc/05/49/62/907054962.db2.gz NEWMACCUIYBXRW-IBGZPJMESA-N 2 1 393.531 3.899 20 30 GHEDMP C[NH+]1CCC2(CCC[N@H+](CC(=O)c3cn(CCC#N)c4ccccc34)C2)CC1 ZINC000374076059 926731011 /nfs/dbraw/zinc/73/10/11/926731011.db2.gz ZHQMEHDZTVQJKG-UHFFFAOYSA-N 2 1 378.520 3.545 20 30 GHEDMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)c3cn(CCC#N)c4ccccc34)C2)CC1 ZINC000374076059 926731022 /nfs/dbraw/zinc/73/10/22/926731022.db2.gz ZHQMEHDZTVQJKG-UHFFFAOYSA-N 2 1 378.520 3.545 20 30 GHEDMP C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000926573907 932231717 /nfs/dbraw/zinc/23/17/17/932231717.db2.gz QKWUVXUTJAXMHK-RTBURBONSA-N 2 1 392.588 3.627 20 30 GHEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1ccc(OCCC[NH+](C)C)cc1)CC2 ZINC001204269411 1032713026 /nfs/dbraw/zinc/71/30/26/1032713026.db2.gz YUDSDYMOKSTBKR-DEOSSOPVSA-N 2 1 399.579 3.550 20 30 GHEDMP N#Cc1ccc(CC[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)cc1 ZINC001222573776 1030204853 /nfs/dbraw/zinc/20/48/53/1030204853.db2.gz DQIKNCMFPTZEJI-XMMPIXPASA-N 2 1 389.543 3.904 20 30 GHEDMP C=CCN1CC[C@@]2(C[N@@H+](CC3(C[NH+](C)C)CCCC3)C[C@@H]2c2ccccc2)C1=O ZINC001208184753 1034780320 /nfs/dbraw/zinc/78/03/20/1034780320.db2.gz FOVGEIJITJGUJS-RDGATRHJSA-N 2 1 395.591 3.613 20 30 GHEDMP C=CCOc1cccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1 ZINC001231623063 1034783374 /nfs/dbraw/zinc/78/33/74/1034783374.db2.gz SDPULRICIKBLLY-GPXNEJASSA-N 2 1 394.563 3.821 20 30 GHEDMP C=CCOc1cccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001231623063 1034783383 /nfs/dbraw/zinc/78/33/83/1034783383.db2.gz SDPULRICIKBLLY-GPXNEJASSA-N 2 1 394.563 3.821 20 30 GHEDMP C=CCOc1cccc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)c1 ZINC001231623063 1034783397 /nfs/dbraw/zinc/78/33/97/1034783397.db2.gz SDPULRICIKBLLY-GPXNEJASSA-N 2 1 394.563 3.821 20 30 GHEDMP C=CCOc1cccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)c1 ZINC001231623063 1034783410 /nfs/dbraw/zinc/78/34/10/1034783410.db2.gz SDPULRICIKBLLY-GPXNEJASSA-N 2 1 394.563 3.821 20 30 GHEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](C[C@@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208935792 1035101554 /nfs/dbraw/zinc/10/15/54/1035101554.db2.gz LQZPGPZRIKEDPD-SGNDLWITSA-N 2 1 384.564 3.725 20 30 GHEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[NH+](C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001208935792 1035101559 /nfs/dbraw/zinc/10/15/59/1035101559.db2.gz LQZPGPZRIKEDPD-SGNDLWITSA-N 2 1 384.564 3.725 20 30 GHEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[NH+](C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208935792 1035101565 /nfs/dbraw/zinc/10/15/65/1035101565.db2.gz LQZPGPZRIKEDPD-SGNDLWITSA-N 2 1 384.564 3.725 20 30 GHEDMP CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+][C@H]1C[C@@H]2C[NH2+][C@H]1C2 ZINC001246016137 1037136337 /nfs/dbraw/zinc/13/63/37/1037136337.db2.gz RVUBMNJZBWIVBO-LDVJMBRRSA-N 2 1 398.632 3.641 20 30 GHEDMP C=CCOC(=O)N1CCC2(CCC[N@H+]([C@H]3C[C@@H](CC)[NH2+][C@@H](CC)C3)C2)CC1 ZINC001246526110 1037457201 /nfs/dbraw/zinc/45/72/01/1037457201.db2.gz LYWXDCFNGQCNKJ-PMOLBWCYSA-N 2 1 377.573 3.796 20 30 GHEDMP C=CCN1CC[C@@]2(C[N@@H+]([C@H]3CC[NH2+][C@H](CCCC)C3)C[C@@H]2c2ccccc2)C1=O ZINC001246704498 1037558062 /nfs/dbraw/zinc/55/80/62/1037558062.db2.gz WAASHXGGNDRSNS-QENXHYHDSA-N 2 1 395.591 3.801 20 30 GHEDMP C=CCN1CC[C@@]2(C[N@@H+]([C@H]3CC[NH2+][C@H](C(C)(C)C)C3)C[C@@H]2c2ccccc2)C1=O ZINC001246705950 1037559014 /nfs/dbraw/zinc/55/90/14/1037559014.db2.gz ZKNCRDRTAWUGDV-MTQWNXOMSA-N 2 1 395.591 3.657 20 30 GHEDMP Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001233081608 1038852144 /nfs/dbraw/zinc/85/21/44/1038852144.db2.gz IPYVWZTVNSDOBU-DQEYMECFSA-N 2 1 393.575 3.827 20 30 GHEDMP Cc1cc(C#N)ccc1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001233081608 1038852174 /nfs/dbraw/zinc/85/21/74/1038852174.db2.gz IPYVWZTVNSDOBU-DQEYMECFSA-N 2 1 393.575 3.827 20 30 GHEDMP Cc1cc(C#N)ccc1C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001233081608 1038852195 /nfs/dbraw/zinc/85/21/95/1038852195.db2.gz IPYVWZTVNSDOBU-DQEYMECFSA-N 2 1 393.575 3.827 20 30 GHEDMP Cc1cc(C#N)ccc1C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001233081608 1038852225 /nfs/dbraw/zinc/85/22/25/1038852225.db2.gz IPYVWZTVNSDOBU-DQEYMECFSA-N 2 1 393.575 3.827 20 30 GHEDMP N#Cc1ccc(Br)cc1C[NH+]1CCC2(CC1)C[NH2+]Cc1ccccc12 ZINC001235092932 1040584310 /nfs/dbraw/zinc/58/43/10/1040584310.db2.gz JBRGRKKJVBTTBP-UHFFFAOYSA-N 2 1 396.332 3.958 20 30 GHEDMP N#Cc1ccc(C[N@@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)cc1Br ZINC001235977598 1041481336 /nfs/dbraw/zinc/48/13/36/1041481336.db2.gz NJIBUWYPLACZKD-UHFFFAOYSA-N 2 1 396.332 3.958 20 30 GHEDMP N#Cc1ccc(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)cc1Br ZINC001235977598 1041481340 /nfs/dbraw/zinc/48/13/40/1041481340.db2.gz NJIBUWYPLACZKD-UHFFFAOYSA-N 2 1 396.332 3.958 20 30 GHEDMP COc1ccc(C[N@H+](Cc2c[nH]c3c2cccc3C#N)C2CC[NH2+]CC2)cc1F ZINC001236515130 1041748835 /nfs/dbraw/zinc/74/88/35/1041748835.db2.gz JYUCUSNVLNIJBF-UHFFFAOYSA-N 2 1 392.478 3.941 20 30 GHEDMP COc1ccc(C[N@@H+](Cc2c[nH]c3c2cccc3C#N)C2CC[NH2+]CC2)cc1F ZINC001236515130 1041748839 /nfs/dbraw/zinc/74/88/39/1041748839.db2.gz JYUCUSNVLNIJBF-UHFFFAOYSA-N 2 1 392.478 3.941 20 30 GHEDMP COc1ccc(C[N@@H+](Cc2ccccc2OC)[C@H]2CC[C@H]([NH3+])CC2)c(C#N)c1 ZINC001236700227 1041841212 /nfs/dbraw/zinc/84/12/12/1041841212.db2.gz KGWNPAUXHOWJPF-MEMLXQNLSA-N 2 1 379.504 3.848 20 30 GHEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](C1CCN(CCc3ccccc3)CC1)C2 ZINC001258142217 1044428774 /nfs/dbraw/zinc/42/87/74/1044428774.db2.gz DMGDYHMZXSDUPY-JWQCQUIFSA-N 2 1 398.591 3.767 20 30 GHEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258142217 1044428780 /nfs/dbraw/zinc/42/87/80/1044428780.db2.gz DMGDYHMZXSDUPY-JWQCQUIFSA-N 2 1 398.591 3.767 20 30 GHEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258142217 1044428782 /nfs/dbraw/zinc/42/87/82/1044428782.db2.gz DMGDYHMZXSDUPY-JWQCQUIFSA-N 2 1 398.591 3.767 20 30 GHEDMP CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)c1 ZINC001324923863 1057248773 /nfs/dbraw/zinc/24/87/73/1057248773.db2.gz GXJIKGJKOGKWHM-HXUWFJFHSA-N 2 1 396.510 3.548 20 30 GHEDMP C=CC[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1ccccc1 ZINC000613366597 837766095 /nfs/dbraw/zinc/76/60/95/837766095.db2.gz BRCCRCAYCXZTHK-UHFFFAOYSA-N 2 1 377.532 3.587 20 30 GHEDMP C=CC[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1ccccc1 ZINC000613366597 837766101 /nfs/dbraw/zinc/76/61/01/837766101.db2.gz BRCCRCAYCXZTHK-UHFFFAOYSA-N 2 1 377.532 3.587 20 30 GHEDMP C=CCCCCCCC[N@@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001209442614 836573115 /nfs/dbraw/zinc/57/31/15/836573115.db2.gz ZKESAPCEUKOUSG-DHIUTWEWSA-N 2 1 377.617 3.774 20 30 GHEDMP C=CCCCCCCC[N@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001209442614 836573121 /nfs/dbraw/zinc/57/31/21/836573121.db2.gz ZKESAPCEUKOUSG-DHIUTWEWSA-N 2 1 377.617 3.774 20 30 GHEDMP C=CCCCCCCC[N@@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001209442614 836573130 /nfs/dbraw/zinc/57/31/30/836573130.db2.gz ZKESAPCEUKOUSG-DHIUTWEWSA-N 2 1 377.617 3.774 20 30 GHEDMP Cn1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180275997 836950132 /nfs/dbraw/zinc/95/01/32/836950132.db2.gz CVEDTWPCLFPGEM-UHFFFAOYSA-N 2 1 377.536 3.845 20 30 GHEDMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(O[C@H](C)C#N)cc3)CC2)cs1 ZINC000111397458 840616336 /nfs/dbraw/zinc/61/63/36/840616336.db2.gz XURHMHZDCSVFSW-QGZVFWFLSA-N 2 1 398.576 3.998 20 30 GHEDMP C=C(C)COc1cc(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)ccc1OC ZINC000178615144 861388580 /nfs/dbraw/zinc/38/85/80/861388580.db2.gz AZKQDWQQXYPQHK-UHFFFAOYSA-N 2 1 396.535 3.816 20 30 GHEDMP N#CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000248405780 845302830 /nfs/dbraw/zinc/30/28/30/845302830.db2.gz RTKRNFGTXKWVCR-GMKZXUHWSA-N 2 1 375.516 3.979 20 30 GHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(I)cc2)CC1 ZINC000482627431 863401987 /nfs/dbraw/zinc/40/19/87/863401987.db2.gz HFTNBRYKJXDHCU-CQSZACIVSA-N 2 1 384.305 3.982 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1OCC ZINC000414944589 852772760 /nfs/dbraw/zinc/77/27/60/852772760.db2.gz HBJLIQKSHSOLDH-ZFWWWQNUSA-N 2 1 383.330 3.643 20 30 GHEDMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(C(C)(C)C#N)cc3)c2)CCO1 ZINC000594495579 858192419 /nfs/dbraw/zinc/19/24/19/858192419.db2.gz CJHRUXOKBSRDDZ-IBGZPJMESA-N 2 1 377.532 3.998 20 30 GHEDMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(C(C)(C)C#N)cc3)c2)CCO1 ZINC000594495579 858192425 /nfs/dbraw/zinc/19/24/25/858192425.db2.gz CJHRUXOKBSRDDZ-IBGZPJMESA-N 2 1 377.532 3.998 20 30 GHEDMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611392302 859735058 /nfs/dbraw/zinc/73/50/58/859735058.db2.gz QHIQRAJUCHGZJS-XMMPIXPASA-N 2 1 393.531 3.682 20 30 GHEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000602718358 860228879 /nfs/dbraw/zinc/22/88/79/860228879.db2.gz NIQNJKLIEMBZQO-IRLDBZIGSA-N 2 1 381.564 3.977 20 30 GHEDMP CC(C)(C#N)C[C@@H](O)C[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000598628042 860474498 /nfs/dbraw/zinc/47/44/98/860474498.db2.gz KORVFUJDQDSTCF-YADHBBJMSA-N 2 1 383.580 3.910 20 30 GHEDMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000158968095 864000450 /nfs/dbraw/zinc/00/04/50/864000450.db2.gz QKNQHZMEGZPKAP-OAQYLSRUSA-N 2 1 396.579 3.910 20 30 GHEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000158968095 864000462 /nfs/dbraw/zinc/00/04/62/864000462.db2.gz QKNQHZMEGZPKAP-OAQYLSRUSA-N 2 1 396.579 3.910 20 30 GHEDMP C=CCOC(=O)N[C@@H]1CCC[N@@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168063379 864929978 /nfs/dbraw/zinc/92/99/78/864929978.db2.gz AMEBLKMIMOWATJ-SFHLNBCPSA-N 2 1 385.552 3.805 20 30 GHEDMP C=CCOC(=O)N[C@@H]1CCC[N@H+](C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168063379 864929983 /nfs/dbraw/zinc/92/99/83/864929983.db2.gz AMEBLKMIMOWATJ-SFHLNBCPSA-N 2 1 385.552 3.805 20 30 GHEDMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1)CC(C)C ZINC000539096220 871306666 /nfs/dbraw/zinc/30/66/66/871306666.db2.gz BODQJOPYTDYHMX-UGKGYDQZSA-N 2 1 378.605 3.509 20 30 GHEDMP N#Cc1ccsc1N1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)C1=O ZINC000530961781 878808015 /nfs/dbraw/zinc/80/80/15/878808015.db2.gz ZFNRVVGGGGFGNL-FQEVSTJZSA-N 2 1 394.544 3.501 20 30 GHEDMP C=CCC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccco1 ZINC000286178816 912608392 /nfs/dbraw/zinc/60/83/92/912608392.db2.gz QRZUHIQVFSNPBW-SFTDATJTSA-N 2 1 381.520 3.774 20 30 GHEDMP C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809704445 887721643 /nfs/dbraw/zinc/72/16/43/887721643.db2.gz ADGGJFJDLGJBDT-UHFFFAOYSA-N 2 1 381.568 3.794 20 30 GHEDMP N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000459485392 893600018 /nfs/dbraw/zinc/60/00/18/893600018.db2.gz ITQYHZOEGZUWMD-UHFFFAOYSA-N 2 1 390.487 3.955 20 30 GHEDMP N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000459485392 893600025 /nfs/dbraw/zinc/60/00/25/893600025.db2.gz ITQYHZOEGZUWMD-UHFFFAOYSA-N 2 1 390.487 3.955 20 30 GHEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COc2cc(C)c(Cl)cc2C(C)C)CC1 ZINC000570564313 899393992 /nfs/dbraw/zinc/39/39/92/899393992.db2.gz LZPMVIBXHPGARW-GOSISDBHSA-N 2 1 380.960 3.752 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH+]2CCC(CC[NH3+])CC2)cc1OCC ZINC000575063714 901104959 /nfs/dbraw/zinc/10/49/59/901104959.db2.gz CDGSQUWSYRFQPD-UHFFFAOYSA-N 2 1 397.357 3.973 20 30 GHEDMP C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001171216284 902728410 /nfs/dbraw/zinc/72/84/10/902728410.db2.gz HGPYTBOXKBXXOA-NRFANRHFSA-N 2 1 389.543 3.856 20 30 GHEDMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C2)CC1 ZINC000290580589 914741973 /nfs/dbraw/zinc/74/19/73/914741973.db2.gz UOKKLWUCMJFCEG-NRFANRHFSA-N 2 1 377.536 3.627 20 30 GHEDMP COc1ccc(NC(=[NH2+])NC[C@@H](c2ccccc2OC)[NH+]2CCCCC2)cc1 ZINC000104166477 904546233 /nfs/dbraw/zinc/54/62/33/904546233.db2.gz KFUADPUSYJRCFS-FQEVSTJZSA-N 2 1 382.508 3.658 20 30 GHEDMP CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173634552 906586075 /nfs/dbraw/zinc/58/60/75/906586075.db2.gz VQNYROMSZDIAOS-GXRSIYKFSA-N 2 1 383.536 3.752 20 30 GHEDMP COc1ccc([C@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)[NH+]2CCCC2)cc1 ZINC000303698241 915067295 /nfs/dbraw/zinc/06/72/95/915067295.db2.gz GCEOXJPLZWHARE-QFIPXVFZSA-N 2 1 378.520 3.748 20 30 GHEDMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)cc1 ZINC000304473348 915516619 /nfs/dbraw/zinc/51/66/19/915516619.db2.gz FZUPUOYTYGJXKV-GCJKJVERSA-N 2 1 392.547 3.989 20 30 GHEDMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000304475371 915516842 /nfs/dbraw/zinc/51/68/42/915516842.db2.gz HBWABCYQGOLGCK-GCJKJVERSA-N 2 1 392.547 3.989 20 30 GHEDMP C[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411512691 926469688 /nfs/dbraw/zinc/46/96/88/926469688.db2.gz BNQNGKXZHADUIA-WBVHZDCISA-N 2 1 388.943 3.783 20 30 GHEDMP C#CCOc1ccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1OC ZINC001138348774 1024712222 /nfs/dbraw/zinc/71/22/22/1024712222.db2.gz MXIWKZNOBOGXEI-JOCHJYFZSA-N 2 1 378.516 3.661 20 30 GHEDMP C#CCOc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1OC ZINC001138348774 1024712239 /nfs/dbraw/zinc/71/22/39/1024712239.db2.gz MXIWKZNOBOGXEI-JOCHJYFZSA-N 2 1 378.516 3.661 20 30 GHEDMP C#CCOc1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC001138348774 1024712255 /nfs/dbraw/zinc/71/22/55/1024712255.db2.gz MXIWKZNOBOGXEI-JOCHJYFZSA-N 2 1 378.516 3.661 20 30 GHEDMP C#CCOc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC001138348774 1024712272 /nfs/dbraw/zinc/71/22/72/1024712272.db2.gz MXIWKZNOBOGXEI-JOCHJYFZSA-N 2 1 378.516 3.661 20 30 GHEDMP CCC[NH+](CCC)CCCN1CC[NH+](Cc2c[nH]c3ccc(C#N)cc23)CC1 ZINC001140116972 1026898833 /nfs/dbraw/zinc/89/88/33/1026898833.db2.gz JMYANUJHIKLVMF-UHFFFAOYSA-N 2 1 381.568 3.669 20 30 GHEDMP CN(c1ccc(C#N)cc1)c1ccc(C[N@H+]2CCOCC3(CC[NH2+]CC3)C2)cc1 ZINC001222400593 1030108248 /nfs/dbraw/zinc/10/82/48/1030108248.db2.gz AOALDWYWPYWDRE-UHFFFAOYSA-N 2 1 390.531 3.528 20 30 GHEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001207291530 1034243995 /nfs/dbraw/zinc/24/39/95/1034243995.db2.gz RLQJAMBGEMKWEC-BJKOFHAPSA-N 2 1 384.564 3.725 20 30 GHEDMP C=CCOC(=O)N1CCC2(CCC[N@H+](CC3(C[NH+](C)C)CCCC3)C2)CC1 ZINC001208181966 1034777647 /nfs/dbraw/zinc/77/76/47/1034777647.db2.gz FUZUBQFOSIPHTP-UHFFFAOYSA-N 2 1 377.573 3.609 20 30 GHEDMP C=CCN1C(=O)CC[C@@]12CCC[N@@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)CC2 ZINC001208947532 1035117749 /nfs/dbraw/zinc/11/77/49/1035117749.db2.gz UCENMZLPVBLTIR-LADGPHEKSA-N 2 1 381.564 3.542 20 30 GHEDMP C=CCN1C(=O)CC[C@@]12CCC[NH+](C[C@@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208947532 1035117755 /nfs/dbraw/zinc/11/77/55/1035117755.db2.gz UCENMZLPVBLTIR-LADGPHEKSA-N 2 1 381.564 3.542 20 30 GHEDMP C=CCN1C(=O)CC[C@@]12CCC[NH+](C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208947532 1035117757 /nfs/dbraw/zinc/11/77/57/1035117757.db2.gz UCENMZLPVBLTIR-LADGPHEKSA-N 2 1 381.564 3.542 20 30 GHEDMP C=CCN(CC[NH+]1CCC2(CC[C@H]2[N@@H+](C)Cc2ccco2)CC1)C(=O)OCC ZINC001209019819 1035152269 /nfs/dbraw/zinc/15/22/69/1035152269.db2.gz SUXVXPJOBDGWRU-HXUWFJFHSA-N 2 1 389.540 3.601 20 30 GHEDMP CCCCCCCCCCCCOCCOC[C@H](O)C[N@@H+](C)CCCC[NH3+] ZINC001246050373 1037162925 /nfs/dbraw/zinc/16/29/25/1037162925.db2.gz GAYBFGAEMJAEFC-JOCHJYFZSA-N 2 1 388.637 3.972 20 30 GHEDMP CCCCCCCC[C@@H](O)C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COC)C1 ZINC001252126252 1038873782 /nfs/dbraw/zinc/87/37/82/1038873782.db2.gz OIAGCGCIMYLOOV-ZLNRFVROSA-N 2 1 380.617 3.778 20 30 GHEDMP CCCCCCCC[C@@H](O)C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001252126252 1038873802 /nfs/dbraw/zinc/87/38/02/1038873802.db2.gz OIAGCGCIMYLOOV-ZLNRFVROSA-N 2 1 380.617 3.778 20 30 GHEDMP CCCCCCCC[C@@H](O)C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001252126252 1038873824 /nfs/dbraw/zinc/87/38/24/1038873824.db2.gz OIAGCGCIMYLOOV-ZLNRFVROSA-N 2 1 380.617 3.778 20 30 GHEDMP CCOC(=O)[C@@H]1CCC[C@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255348162 1040954018 /nfs/dbraw/zinc/95/40/18/1040954018.db2.gz BNMVDNYLQLTZRU-YSFYHYPLSA-N 2 1 383.536 3.752 20 30 GHEDMP C=CCN1C(=O)CCC12CC[NH+]([C@H]1CCC[N@@H+](Cc3ccccc3)CC1)CC2 ZINC001255400151 1040986972 /nfs/dbraw/zinc/98/69/72/1040986972.db2.gz GNRZIEKSFANFDI-QFIPXVFZSA-N 2 1 381.564 3.684 20 30 GHEDMP COc1ccc(C[N@@H+](CCCc2cccc(C#N)c2)C2CC[NH2+]CC2)cc1F ZINC001236517170 1041750802 /nfs/dbraw/zinc/75/08/02/1041750802.db2.gz QCKZFRJVPKKDGW-UHFFFAOYSA-N 2 1 381.495 3.893 20 30 GHEDMP C=CCOC(=O)N1CCC2(CCC[N@H+]([C@@H](C)CCC[NH+](CC)CC)C2)CC1 ZINC001258908571 1044862072 /nfs/dbraw/zinc/86/20/72/1044862072.db2.gz XNXOKRVNGHPKCF-FQEVSTJZSA-N 2 1 379.589 3.998 20 30 GHEDMP N#Cc1cccc([C@H](O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC001307522776 1049367007 /nfs/dbraw/zinc/36/70/07/1049367007.db2.gz CIHNQGCPUDSYDS-KMDXXIMOSA-N 2 1 375.516 3.578 20 30 GHEDMP N#Cc1cccc([C@H](O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC001307522776 1049367018 /nfs/dbraw/zinc/36/70/18/1049367018.db2.gz CIHNQGCPUDSYDS-KMDXXIMOSA-N 2 1 375.516 3.578 20 30 GHEDMP N#Cc1cccc([C@H](O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC001307522776 1049367028 /nfs/dbraw/zinc/36/70/28/1049367028.db2.gz CIHNQGCPUDSYDS-KMDXXIMOSA-N 2 1 375.516 3.578 20 30 GHEDMP N#Cc1cccc([C@H](O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC001307522776 1049367037 /nfs/dbraw/zinc/36/70/37/1049367037.db2.gz CIHNQGCPUDSYDS-KMDXXIMOSA-N 2 1 375.516 3.578 20 30 GHEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2ccc(Br)cc2)CC1 ZINC001200127369 1065286532 /nfs/dbraw/zinc/28/65/32/1065286532.db2.gz SASCOHFXJBXFRK-UHFFFAOYSA-N 2 1 389.341 3.969 20 30 GHEDMP C=CCC1([NH2+]CC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)CCCCC1 ZINC001460629565 1069042602 /nfs/dbraw/zinc/04/26/02/1069042602.db2.gz FMFZHEPDSDPKDO-UHFFFAOYSA-N 2 1 383.580 3.898 20 30 GHEDMP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000533409144 835465446 /nfs/dbraw/zinc/46/54/46/835465446.db2.gz ORQOVSYPYUXSFL-GOSISDBHSA-N 2 1 377.598 3.703 20 30 GHEDMP N#CCc1cccc2c1CC[NH+](C/C=C/C[N@@H+]1CCc3c(CC#N)cccc3C1)C2 ZINC000599676343 861473740 /nfs/dbraw/zinc/47/37/40/861473740.db2.gz AWCQBGDNFQLUCR-OWOJBTEDSA-N 2 1 396.538 3.791 20 30 GHEDMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccc(C#N)cc1F ZINC000512647692 844876439 /nfs/dbraw/zinc/87/64/39/844876439.db2.gz JFOQDPAQLXTWEI-FDDCHVKYSA-N 2 1 380.511 3.727 20 30 GHEDMP CC[N@H+](CCC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C#N)CC1)CC1CC1 ZINC000538947533 845751221 /nfs/dbraw/zinc/75/12/21/845751221.db2.gz FJDSRTBFQQGFEL-GOSISDBHSA-N 2 1 382.552 3.719 20 30 GHEDMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C#N)CC1)CC1CC1 ZINC000538947533 845751233 /nfs/dbraw/zinc/75/12/33/845751233.db2.gz FJDSRTBFQQGFEL-GOSISDBHSA-N 2 1 382.552 3.719 20 30 GHEDMP C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434756520 849743922 /nfs/dbraw/zinc/74/39/22/849743922.db2.gz NEYRNFQCCHRZDO-QFIPXVFZSA-N 2 1 395.547 3.567 20 30 GHEDMP C=CCOC(=O)[C@@H](Nc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1)[C@@H](C)CC ZINC001167960159 851163151 /nfs/dbraw/zinc/16/31/51/851163151.db2.gz UTSGXWYCDACTKX-MDKPJZGXSA-N 2 1 384.524 3.907 20 30 GHEDMP C=C(C)C[NH+]1CCC(NC(=O)N(CC)[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000473955930 854423861 /nfs/dbraw/zinc/42/38/61/854423861.db2.gz KPTZGFQLVWVXPC-NFBKMPQASA-N 2 1 398.595 3.894 20 30 GHEDMP C[NH+]1CCC2(CC1)C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)CCO2 ZINC000592185559 856683292 /nfs/dbraw/zinc/68/32/92/856683292.db2.gz YRMKZFQDXGQQNQ-UHFFFAOYSA-N 2 1 389.543 3.683 20 30 GHEDMP CC(C)(C#N)c1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000594501335 858193099 /nfs/dbraw/zinc/19/30/99/858193099.db2.gz UHDYJRMXGOJPPF-QHCPKHFHSA-N 2 1 377.532 3.734 20 30 GHEDMP Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1C ZINC000185665773 861157812 /nfs/dbraw/zinc/15/78/12/861157812.db2.gz KKPJSUVKQHHSOF-NHCUHLMSSA-N 2 1 396.579 3.793 20 30 GHEDMP Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1C ZINC000185665773 861157816 /nfs/dbraw/zinc/15/78/16/861157816.db2.gz KKPJSUVKQHHSOF-NHCUHLMSSA-N 2 1 396.579 3.793 20 30 GHEDMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(C#N)c(OC)c3)CC2)cs1 ZINC000440828905 868813423 /nfs/dbraw/zinc/81/34/23/868813423.db2.gz VDGQYQPUSUDMPH-UHFFFAOYSA-N 2 1 384.549 3.588 20 30 GHEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000478031261 872381021 /nfs/dbraw/zinc/38/10/21/872381021.db2.gz GAZUBTBQXFSBOY-IBGZPJMESA-N 2 1 382.552 3.863 20 30 GHEDMP CC[N@@H+](CCC1CCN([C@H](C(=O)OC)c2ccc(C#N)cc2)CC1)CC1CC1 ZINC000771475842 875277837 /nfs/dbraw/zinc/27/78/37/875277837.db2.gz OAVAFLPGJFQXEC-QFIPXVFZSA-N 2 1 383.536 3.606 20 30 GHEDMP Cc1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)ccc1C#N ZINC000549867948 875713874 /nfs/dbraw/zinc/71/38/74/875713874.db2.gz JNEBUJDEIPKGJP-XMMPIXPASA-N 2 1 389.543 3.885 20 30 GHEDMP Cc1cc(C[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)ccc1C#N ZINC000443972062 877148362 /nfs/dbraw/zinc/14/83/62/877148362.db2.gz WFXOUSVTAKASDU-UHFFFAOYSA-N 2 1 393.531 3.646 20 30 GHEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859211818 883664240 /nfs/dbraw/zinc/66/42/40/883664240.db2.gz GFDNHFPPFDZMLU-SFHVURJKSA-N 2 1 385.577 3.845 20 30 GHEDMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3ccc(C#N)cc3)CC2)c1C ZINC000104074657 885249992 /nfs/dbraw/zinc/24/99/92/885249992.db2.gz VKILGBZRXRRZPA-UHFFFAOYSA-N 2 1 378.520 3.675 20 30 GHEDMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3ccc(C#N)cc3)CC2)c1C ZINC000104074657 885250011 /nfs/dbraw/zinc/25/00/11/885250011.db2.gz VKILGBZRXRRZPA-UHFFFAOYSA-N 2 1 378.520 3.675 20 30 GHEDMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cc(C#N)cnc3Cl)CC2)cs1 ZINC000877039996 893452255 /nfs/dbraw/zinc/45/22/55/893452255.db2.gz MCUJDWZLLGHNKZ-UHFFFAOYSA-N 2 1 389.956 3.627 20 30 GHEDMP C=CC[NH+]1CCC([NH2+]C[C@](C)(O)c2ccc(Br)cc2Cl)CC1 ZINC000819022543 896355013 /nfs/dbraw/zinc/35/50/13/896355013.db2.gz QTBNFFUIXWBZIH-KRWDZBQOSA-N 2 1 387.749 3.550 20 30 GHEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COc2cc(C)c(Cl)cc2C(C)C)CC1 ZINC000570564314 899393855 /nfs/dbraw/zinc/39/38/55/899393855.db2.gz LZPMVIBXHPGARW-SFHVURJKSA-N 2 1 380.960 3.752 20 30 GHEDMP COc1ccc(CC[NH+]2CCC([NH2+][C@H](C)Cc3cccc(C#N)c3)CC2)cc1 ZINC001171191886 902250498 /nfs/dbraw/zinc/25/04/98/902250498.db2.gz HBSPOTRRXJYJOT-LJQANCHMSA-N 2 1 377.532 3.795 20 30 GHEDMP C[N@@H+](Cc1ccccc1C[NH2+]C[C@H](O)CC1(C#N)CCOCC1)C1CCCCC1 ZINC000600720349 902843041 /nfs/dbraw/zinc/84/30/41/902843041.db2.gz OTZNHDFNLFLRMR-HSZRJFAPSA-N 2 1 399.579 3.612 20 30 GHEDMP COC(=O)[C@H]1CCC[C@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172780832 905820771 /nfs/dbraw/zinc/82/07/71/905820771.db2.gz KQXQBHNQMAUELL-CMOCDZPBSA-N 2 1 383.536 3.752 20 30 GHEDMP CCCC[NH+](CCCC)CC[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173423716 906458302 /nfs/dbraw/zinc/45/83/02/906458302.db2.gz LQEXKZAYDJDJIZ-UHFFFAOYSA-N 2 1 384.568 3.655 20 30 GHEDMP C[C@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1cccc(C#N)c1 ZINC000181677307 907054708 /nfs/dbraw/zinc/05/47/08/907054708.db2.gz QKXFVACVLHQHNG-IBGZPJMESA-N 2 1 393.531 3.899 20 30 GHEDMP Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1C ZINC000185723427 907822803 /nfs/dbraw/zinc/82/28/03/907822803.db2.gz CKODEGHSKFAKON-RTWAWAEBSA-N 2 1 396.579 3.793 20 30 GHEDMP Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1C ZINC000185723427 907822815 /nfs/dbraw/zinc/82/28/15/907822815.db2.gz CKODEGHSKFAKON-RTWAWAEBSA-N 2 1 396.579 3.793 20 30 GHEDMP C=CCOc1cccc(C[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC001177222809 908472387 /nfs/dbraw/zinc/47/23/87/908472387.db2.gz QDILMRWNFYFIJK-DEOSSOPVSA-N 2 1 379.548 3.720 20 30 GHEDMP N#Cc1ccc2c(c1)C[N@@H+](CC1CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC001182595032 911901742 /nfs/dbraw/zinc/90/17/42/911901742.db2.gz NIZPZBCTZWQCFB-UHFFFAOYSA-N 2 1 390.487 3.737 20 30 GHEDMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000304499663 915526869 /nfs/dbraw/zinc/52/68/69/915526869.db2.gz RDEDUKDGAFPVFS-PGRDOPGGSA-N 2 1 392.547 3.847 20 30 GHEDMP Cc1nc(C[NH+]2CCC(CNC(=[NH2+])Nc3ccc(OC(C)C)cc3)CC2)oc1C ZINC000304743877 915668498 /nfs/dbraw/zinc/66/84/98/915668498.db2.gz DKMPXRGAIJZXNA-UHFFFAOYSA-N 2 1 399.539 3.717 20 30 GHEDMP C=CCOc1c(Br)cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1OC ZINC000469884380 930235017 /nfs/dbraw/zinc/23/50/17/930235017.db2.gz NDLQSWXSPZXNSC-YQQAZPJKSA-N 2 1 395.341 3.582 20 30 GHEDMP C=CCOc1c(Br)cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1OC ZINC000469884380 930235024 /nfs/dbraw/zinc/23/50/24/930235024.db2.gz NDLQSWXSPZXNSC-YQQAZPJKSA-N 2 1 395.341 3.582 20 30 GHEDMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944662 1018775305 /nfs/dbraw/zinc/77/53/05/1018775305.db2.gz ZWDZVKBGDVSAMI-WOPDTQHZSA-N 2 1 394.350 3.964 20 30 GHEDMP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944662 1018775318 /nfs/dbraw/zinc/77/53/18/1018775318.db2.gz ZWDZVKBGDVSAMI-WOPDTQHZSA-N 2 1 394.350 3.964 20 30 GHEDMP C[N@@H+]1CCC[C@H]1CC[NH+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932949672 1018781270 /nfs/dbraw/zinc/78/12/70/1018781270.db2.gz PUSLRBVRECNSCO-GARJFASQSA-N 2 1 380.323 3.574 20 30 GHEDMP C[N@H+]1CCC[C@H]1CC[NH+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932949672 1018781286 /nfs/dbraw/zinc/78/12/86/1018781286.db2.gz PUSLRBVRECNSCO-GARJFASQSA-N 2 1 380.323 3.574 20 30 GHEDMP C[NH+]1CCC[C@H]1CC[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932949672 1018781301 /nfs/dbraw/zinc/78/13/01/1018781301.db2.gz PUSLRBVRECNSCO-GARJFASQSA-N 2 1 380.323 3.574 20 30 GHEDMP C[NH+]1CCC[C@H]1CC[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932949672 1018781312 /nfs/dbraw/zinc/78/13/12/1018781312.db2.gz PUSLRBVRECNSCO-GARJFASQSA-N 2 1 380.323 3.574 20 30 GHEDMP N#Cc1ccc(Cl)nc1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162927335 1025970162 /nfs/dbraw/zinc/97/01/62/1025970162.db2.gz ARJNBTUMGRYGGG-IBGZPJMESA-N 2 1 395.938 3.520 20 30 GHEDMP N#CCc1cc(F)cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1 ZINC001162942304 1025978653 /nfs/dbraw/zinc/97/86/53/1025978653.db2.gz UZRDCWDKGQRSRQ-OAQYLSRUSA-N 2 1 392.522 3.805 20 30 GHEDMP N#Cc1cc(NC2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ccc1N1CC[NH2+]CC1 ZINC001159743103 1034731159 /nfs/dbraw/zinc/73/11/59/1034731159.db2.gz TXZOOZOCOZQVEB-RPWUZVMVSA-N 2 1 399.542 3.701 20 30 GHEDMP COc1cc(C#N)ccc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001231618536 1034775126 /nfs/dbraw/zinc/77/51/26/1034775126.db2.gz NWGPISQAVVIWNK-PMOQBDJRSA-N 2 1 390.531 3.694 20 30 GHEDMP COc1cc(C#N)ccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3ccccn3)[C@@H]2C1 ZINC001231618536 1034775130 /nfs/dbraw/zinc/77/51/30/1034775130.db2.gz NWGPISQAVVIWNK-PMOQBDJRSA-N 2 1 390.531 3.694 20 30 GHEDMP COc1cc(C#N)ccc1C[NH+]1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001231618536 1034775144 /nfs/dbraw/zinc/77/51/44/1034775144.db2.gz NWGPISQAVVIWNK-PMOQBDJRSA-N 2 1 390.531 3.694 20 30 GHEDMP COc1cc(C#N)ccc1C[NH+]1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001231618536 1034775156 /nfs/dbraw/zinc/77/51/56/1034775156.db2.gz NWGPISQAVVIWNK-PMOQBDJRSA-N 2 1 390.531 3.694 20 30 GHEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208949876 1035120076 /nfs/dbraw/zinc/12/00/76/1035120076.db2.gz ZHVQYHSYSAGSRK-ISKFKSNPSA-N 2 1 397.563 3.619 20 30 GHEDMP C=CCOC(=O)N1CCC[C@]2(CC[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001208949876 1035120079 /nfs/dbraw/zinc/12/00/79/1035120079.db2.gz ZHVQYHSYSAGSRK-ISKFKSNPSA-N 2 1 397.563 3.619 20 30 GHEDMP C=CCOC(=O)N1CCC[C@]2(CC[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001208949876 1035120082 /nfs/dbraw/zinc/12/00/82/1035120082.db2.gz ZHVQYHSYSAGSRK-ISKFKSNPSA-N 2 1 397.563 3.619 20 30 GHEDMP N#Cc1ccccc1OC1CC[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208951277 1035121549 /nfs/dbraw/zinc/12/15/49/1035121549.db2.gz AYSJRHDUOJHYJC-NRFANRHFSA-N 2 1 375.516 3.924 20 30 GHEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC001241771648 1035692992 /nfs/dbraw/zinc/69/29/92/1035692992.db2.gz MRTQOSOJAVBPFT-HSZRJFAPSA-N 2 1 377.532 3.968 20 30 GHEDMP Cc1cc(F)ccc1[C@@H]1C[C@H]([NH+]2CCN(c3ccc(C#N)cc3)CC2)CCN1 ZINC001246785446 1037626030 /nfs/dbraw/zinc/62/60/30/1037626030.db2.gz BCOPWBPQIFFMAU-GGAORHGYSA-N 2 1 378.495 3.621 20 30 GHEDMP N#Cc1ccc(O[C@@H]2CCC[N@H+]([C@@H]3CC[NH2+][C@H](Cc4ccccc4)C3)C2)cc1 ZINC001246970968 1037794141 /nfs/dbraw/zinc/79/41/41/1037794141.db2.gz XLKNFZJQYDEVTB-CQOQZXRMSA-N 2 1 375.516 3.765 20 30 GHEDMP N#Cc1ccc(O[C@@H]2CCC[N@H+]([C@H]3CC[NH2+][C@H](Cc4ccccc4)C3)C2)cc1 ZINC001246970967 1037795743 /nfs/dbraw/zinc/79/57/43/1037795743.db2.gz XLKNFZJQYDEVTB-AOHZBQACSA-N 2 1 375.516 3.765 20 30 GHEDMP N#CC1(c2ccc(F)cc2)CCC([NH2+][C@@H]2CC[N@H+](CC3CCOCC3)C2)CC1 ZINC001254349968 1040182923 /nfs/dbraw/zinc/18/29/23/1040182923.db2.gz DCUFQCWDGCFWRU-OOMBGRCJSA-N 2 1 385.527 3.620 20 30 GHEDMP N#CC1(c2ccc(F)cc2)CCC([NH2+][C@@H]2CC[N@@H+](CC3CCOCC3)C2)CC1 ZINC001254349968 1040182927 /nfs/dbraw/zinc/18/29/27/1040182927.db2.gz DCUFQCWDGCFWRU-OOMBGRCJSA-N 2 1 385.527 3.620 20 30 GHEDMP N#Cc1ccc(N2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)cc1 ZINC001255144104 1040854744 /nfs/dbraw/zinc/85/47/44/1040854744.db2.gz LZRHNTVIGKQGTI-QEIWAGNOSA-N 2 1 386.543 3.876 20 30 GHEDMP N#Cc1ccc(N2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)cc1 ZINC001255144104 1040854761 /nfs/dbraw/zinc/85/47/61/1040854761.db2.gz LZRHNTVIGKQGTI-QEIWAGNOSA-N 2 1 386.543 3.876 20 30 GHEDMP C=CCN(CC[N@@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1)C(=O)OCC ZINC001236743288 1041869714 /nfs/dbraw/zinc/86/97/14/1041869714.db2.gz WVIIXJVEOMHLEL-MXVIHJGJSA-N 2 1 377.504 3.542 20 30 GHEDMP Cn1cc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c2cc(C#N)ccc21 ZINC001237470824 1042222930 /nfs/dbraw/zinc/22/29/30/1042222930.db2.gz YGOZGDWGSYGELR-UHFFFAOYSA-N 2 1 399.542 3.933 20 30 GHEDMP C=CCN1C(=O)CC[C@@]12CCC[N@@H+](C1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001256606688 1043572276 /nfs/dbraw/zinc/57/22/76/1043572276.db2.gz XEBRBPCLXRYBPK-XMMPIXPASA-N 2 1 381.564 3.684 20 30 GHEDMP C=CCN1C(=O)CC[C@@]12CCC[N@H+](C1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001256606688 1043572285 /nfs/dbraw/zinc/57/22/85/1043572285.db2.gz XEBRBPCLXRYBPK-XMMPIXPASA-N 2 1 381.564 3.684 20 30 GHEDMP CCCCCCC[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001258048930 1044370901 /nfs/dbraw/zinc/37/09/01/1044370901.db2.gz ZIDLBJGLLLRAST-YTFSRNRJSA-N 2 1 379.633 3.996 20 30 GHEDMP CCCCCCC[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001258048930 1044370917 /nfs/dbraw/zinc/37/09/17/1044370917.db2.gz ZIDLBJGLLLRAST-YTFSRNRJSA-N 2 1 379.633 3.996 20 30 GHEDMP CCCCCCC[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001258048930 1044370934 /nfs/dbraw/zinc/37/09/34/1044370934.db2.gz ZIDLBJGLLLRAST-YTFSRNRJSA-N 2 1 379.633 3.996 20 30 GHEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+](C1CC[NH+](CCc3ccccc3)CC1)CC2 ZINC001258144123 1044430834 /nfs/dbraw/zinc/43/08/34/1044430834.db2.gz RZJPVEQDRHCWKR-VWLOTQADSA-N 2 1 395.591 3.727 20 30 GHEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](C1CC[NH+](CCc3ccccc3)CC1)CC2 ZINC001258144123 1044430840 /nfs/dbraw/zinc/43/08/40/1044430840.db2.gz RZJPVEQDRHCWKR-VWLOTQADSA-N 2 1 395.591 3.727 20 30 GHEDMP C=C(CC[NH+](C)C)C(=O)N[C@]1(C)C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001304218636 1047618119 /nfs/dbraw/zinc/61/81/19/1047618119.db2.gz OOLLXDTYHAIVHD-UKILVPOCSA-N 2 1 391.559 3.669 20 30 GHEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](CCC)C2)CC1 ZINC001311892158 1052461918 /nfs/dbraw/zinc/46/19/18/1052461918.db2.gz RWHMCMJWYCPDQK-QHCPKHFHSA-N 2 1 398.595 3.723 20 30 GHEDMP Cc1cc(C#N)cc(C)c1CN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001460083753 1068770088 /nfs/dbraw/zinc/77/00/88/1068770088.db2.gz VSPVHMBMRGSBLF-DEOSSOPVSA-N 2 1 388.559 3.567 20 30 GHEDMP Cc1cc(C#N)cc(C)c1C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001460083753 1068770103 /nfs/dbraw/zinc/77/01/03/1068770103.db2.gz VSPVHMBMRGSBLF-DEOSSOPVSA-N 2 1 388.559 3.567 20 30 GHEDMP Cc1cc(C#N)cc(C)c1C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001460083753 1068770118 /nfs/dbraw/zinc/77/01/18/1068770118.db2.gz VSPVHMBMRGSBLF-DEOSSOPVSA-N 2 1 388.559 3.567 20 30 GHEDMP N#Cc1ccc(C[NH+]2CCC(NC[C@H]3CC[N@H+]3C3CCCCCC3)CC2)cc1 ZINC001474239486 1074305002 /nfs/dbraw/zinc/30/50/02/1074305002.db2.gz ZINHZQOCGOWLOS-XMMPIXPASA-N 2 1 380.580 3.909 20 30 GHEDMP C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000159252828 835783203 /nfs/dbraw/zinc/78/32/03/835783203.db2.gz OWOFAFXHMPEPRT-REWPJTCUSA-N 2 1 398.595 3.721 20 30 GHEDMP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000246134098 835970056 /nfs/dbraw/zinc/97/00/56/835970056.db2.gz ZWHJLBAPCJBKHI-VQTJNVASSA-N 2 1 388.600 3.694 20 30 GHEDMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1C#N ZINC000482138063 842031875 /nfs/dbraw/zinc/03/18/75/842031875.db2.gz BDRWYUYDNKFYMB-WMZOPIPTSA-N 2 1 376.932 3.640 20 30 GHEDMP CCc1nc(C[NH+]2CCC(CNC(=[NH2+])Nc3ccc(C)c(C)c3)CC2)cs1 ZINC000178572434 843374176 /nfs/dbraw/zinc/37/41/76/843374176.db2.gz PPJSMVDSVDUKDA-UHFFFAOYSA-N 2 1 385.581 3.961 20 30 GHEDMP C=CCOc1c(Br)cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1OC ZINC000092253667 843729810 /nfs/dbraw/zinc/72/98/10/843729810.db2.gz DKHUJEUJDJTOCI-OAHLLOKOSA-N 2 1 397.357 3.796 20 30 GHEDMP C=CCOc1c(Br)cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1OC ZINC000092253667 843729821 /nfs/dbraw/zinc/72/98/21/843729821.db2.gz DKHUJEUJDJTOCI-OAHLLOKOSA-N 2 1 397.357 3.796 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000092253667 843729832 /nfs/dbraw/zinc/72/98/32/843729832.db2.gz DKHUJEUJDJTOCI-OAHLLOKOSA-N 2 1 397.357 3.796 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000092253667 843729844 /nfs/dbraw/zinc/72/98/44/843729844.db2.gz DKHUJEUJDJTOCI-OAHLLOKOSA-N 2 1 397.357 3.796 20 30 GHEDMP C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCCO2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329466707 861480020 /nfs/dbraw/zinc/48/00/20/861480020.db2.gz VRYYQLJDTRJOON-SJORKVTESA-N 2 1 387.524 3.679 20 30 GHEDMP C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCCO2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000329466707 861480025 /nfs/dbraw/zinc/48/00/25/861480025.db2.gz VRYYQLJDTRJOON-SJORKVTESA-N 2 1 387.524 3.679 20 30 GHEDMP Cc1c(C#N)cccc1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000366459502 846792986 /nfs/dbraw/zinc/79/29/86/846792986.db2.gz WRDYJDGTFFOLKC-UHFFFAOYSA-N 2 1 397.567 3.527 20 30 GHEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)C(C)C ZINC000503441426 847697499 /nfs/dbraw/zinc/69/74/99/847697499.db2.gz XLVNOAJZPKVIJY-HSZRJFAPSA-N 2 1 398.595 3.603 20 30 GHEDMP C[NH+]1CCN([C@H](C[NH2+]Cc2cccc(OCCCC#N)c2)c2cccs2)CC1 ZINC000518249377 853133885 /nfs/dbraw/zinc/13/38/85/853133885.db2.gz FEBWCKUNHVNVLO-OAQYLSRUSA-N 2 1 398.576 3.509 20 30 GHEDMP C=CCN(Cc1ccccc1F)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000518741562 853699862 /nfs/dbraw/zinc/69/98/62/853699862.db2.gz BYJHTKIVVZMWGE-UHFFFAOYSA-N 2 1 387.543 3.537 20 30 GHEDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)C(=O)Nc1ccccc1C#N ZINC000056156187 855485499 /nfs/dbraw/zinc/48/54/99/855485499.db2.gz YBUZWCRYCLFWOJ-OALUTQOASA-N 2 1 390.531 3.907 20 30 GHEDMP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1OCCCC#N ZINC000592376383 856795929 /nfs/dbraw/zinc/79/59/29/856795929.db2.gz IOSZTSLYSWKIJI-YADHBBJMSA-N 2 1 393.531 3.813 20 30 GHEDMP C=CCOc1c(Br)cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1OC ZINC000442922332 858245492 /nfs/dbraw/zinc/24/54/92/858245492.db2.gz KLZLYDQYBPTVPE-CQSZACIVSA-N 2 1 383.330 3.583 20 30 GHEDMP C#CCCOc1ccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)CC)c3)C2)cc1 ZINC000856552730 881378069 /nfs/dbraw/zinc/37/80/69/881378069.db2.gz GNPHBSVOTYKAII-DEOSSOPVSA-N 2 1 393.531 3.589 20 30 GHEDMP C#CCCOc1ccc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)CC)c3)C2)cc1 ZINC000856552730 881378104 /nfs/dbraw/zinc/37/81/04/881378104.db2.gz GNPHBSVOTYKAII-DEOSSOPVSA-N 2 1 393.531 3.589 20 30 GHEDMP C#CCCOc1ccc(C[N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)CC)c3)C2)cc1 ZINC000856552730 881378136 /nfs/dbraw/zinc/37/81/36/881378136.db2.gz GNPHBSVOTYKAII-DEOSSOPVSA-N 2 1 393.531 3.589 20 30 GHEDMP C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(CC)CC3)cc2)cc1 ZINC000765011121 859726192 /nfs/dbraw/zinc/72/61/92/859726192.db2.gz SKOWWVZCKWJBMU-OAQYLSRUSA-N 2 1 391.559 3.687 20 30 GHEDMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170389396 881505427 /nfs/dbraw/zinc/50/54/27/881505427.db2.gz QPMQFZMSEHQHEI-SHSGKGFPSA-N 2 1 381.564 3.966 20 30 GHEDMP CCOCCC[N@H+]1CC[C@H](/[NH+]=C\c2ccc(N(CC)CC)cc2O)[C@@H](C)C1 ZINC000734366229 864178598 /nfs/dbraw/zinc/17/85/98/864178598.db2.gz JMFXYIVBYVJVMK-RXCKXGNTSA-N 2 1 375.557 3.794 20 30 GHEDMP C[C@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000186323611 864790982 /nfs/dbraw/zinc/79/09/82/864790982.db2.gz VOQQEIAPNAPOLB-YADARESESA-N 2 1 376.548 3.804 20 30 GHEDMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3ccc(C#N)cc3F)CC2)c1C ZINC000129765482 866717107 /nfs/dbraw/zinc/71/71/07/866717107.db2.gz ZTNNYDIJNWCEAM-UHFFFAOYSA-N 2 1 396.510 3.814 20 30 GHEDMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3ccc(C#N)cc3F)CC2)c1C ZINC000129765482 866717121 /nfs/dbraw/zinc/71/71/21/866717121.db2.gz ZTNNYDIJNWCEAM-UHFFFAOYSA-N 2 1 396.510 3.814 20 30 GHEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(C(C)(C)C#N)cc3)CC2)CC1 ZINC000553266183 867069116 /nfs/dbraw/zinc/06/91/16/867069116.db2.gz SDPJPMYIUOAWON-UHFFFAOYSA-N 2 1 382.552 3.623 20 30 GHEDMP C[NH+]=C(NCCc1c[nH]c2ccc(Cl)cc12)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262760901 882137986 /nfs/dbraw/zinc/13/79/86/882137986.db2.gz DEHHYHPUTXZHNW-AYHJJNSGSA-N 2 1 387.959 3.544 20 30 GHEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H](c2ccc(Cl)cc2)[N@H+](C)CCC)CC1 ZINC000553925687 868484162 /nfs/dbraw/zinc/48/41/62/868484162.db2.gz FUVGNIFTOSEEPY-HXUWFJFHSA-N 2 1 392.975 3.673 20 30 GHEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(-c2ccccc2C#N)cc1 ZINC000441265640 871656475 /nfs/dbraw/zinc/65/64/75/871656475.db2.gz MGYWFCJPHWYEBZ-YFNKSVMNSA-N 2 1 375.516 3.909 20 30 GHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)C(F)(F)F)Cc3ccccc32)CC1 ZINC000850434621 876917526 /nfs/dbraw/zinc/91/75/26/876917526.db2.gz ZHPDFYDRZCZKTC-LJQANCHMSA-N 2 1 395.469 3.652 20 30 GHEDMP C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000237634930 877725567 /nfs/dbraw/zinc/72/55/67/877725567.db2.gz MCSYIZXVXCNMEQ-AQNXPRMDSA-N 2 1 393.531 3.876 20 30 GHEDMP CCOc1ccc([C@@H]2CCNC[C@@H]2[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000854223710 879641394 /nfs/dbraw/zinc/64/13/94/879641394.db2.gz UQXDNFVMHZXEJY-VSDWSMLSSA-N 2 1 379.504 3.784 20 30 GHEDMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCc2cccc(C#N)c2)c2c1OC(F)(F)O2 ZINC001183430095 912513355 /nfs/dbraw/zinc/51/33/55/912513355.db2.gz UIHSLGJVBIUWKR-UHFFFAOYSA-N 2 1 387.430 3.616 20 30 GHEDMP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000532540798 885947843 /nfs/dbraw/zinc/94/78/43/885947843.db2.gz HFGCGPQXTWVCRF-OAQYLSRUSA-N 2 1 398.595 3.991 20 30 GHEDMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000809739102 887772837 /nfs/dbraw/zinc/77/28/37/887772837.db2.gz XLVOLOPMIHHKEP-UHFFFAOYSA-N 2 1 388.519 3.552 20 30 GHEDMP C#CCOc1ccc(Br)cc1C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000729682732 888511569 /nfs/dbraw/zinc/51/15/69/888511569.db2.gz BVDOSFQZQKPKKY-MRXNPFEDSA-N 2 1 379.342 3.671 20 30 GHEDMP C#CCOc1ccc(Br)cc1C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000729682732 888511574 /nfs/dbraw/zinc/51/15/74/888511574.db2.gz BVDOSFQZQKPKKY-MRXNPFEDSA-N 2 1 379.342 3.671 20 30 GHEDMP C#Cc1ccc(C[NH+]2CCC3(C[C@H](COC)[N@@H+](Cc4nccs4)C3)CC2)cc1 ZINC001144568845 902399427 /nfs/dbraw/zinc/39/94/27/902399427.db2.gz GAFJRAVDOIMJFY-OAQYLSRUSA-N 2 1 395.572 3.628 20 30 GHEDMP C#Cc1ccc(C[NH+]2CCC3(C[C@H](COC)[N@H+](Cc4nccs4)C3)CC2)cc1 ZINC001144568845 902399444 /nfs/dbraw/zinc/39/94/44/902399444.db2.gz GAFJRAVDOIMJFY-OAQYLSRUSA-N 2 1 395.572 3.628 20 30 GHEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCN(c3sccc3C#N)C2=O)cc1 ZINC000577159684 902550906 /nfs/dbraw/zinc/55/09/06/902550906.db2.gz NMTURNGCIFNWFN-LIRRHRJNSA-N 2 1 391.500 3.570 20 30 GHEDMP COc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1OCCCC#N ZINC000180785584 906844523 /nfs/dbraw/zinc/84/45/23/906844523.db2.gz AIKRRADRKLQLCD-TZIWHRDSSA-N 2 1 383.536 3.826 20 30 GHEDMP COc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1OCCCC#N ZINC000180785584 906844539 /nfs/dbraw/zinc/84/45/39/906844539.db2.gz AIKRRADRKLQLCD-TZIWHRDSSA-N 2 1 383.536 3.826 20 30 GHEDMP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1OCCCC#N ZINC000180785584 906844553 /nfs/dbraw/zinc/84/45/53/906844553.db2.gz AIKRRADRKLQLCD-TZIWHRDSSA-N 2 1 383.536 3.826 20 30 GHEDMP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1OCCCC#N ZINC000180785584 906844561 /nfs/dbraw/zinc/84/45/61/906844561.db2.gz AIKRRADRKLQLCD-TZIWHRDSSA-N 2 1 383.536 3.826 20 30 GHEDMP C[N@H+]1CCC[C@H](CNC(=[NH2+])N2CCCCC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000304758234 915673815 /nfs/dbraw/zinc/67/38/15/915673815.db2.gz PSNLVUCEIPDXKY-AEFFLSMTSA-N 2 1 382.474 3.889 20 30 GHEDMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000411399807 926365369 /nfs/dbraw/zinc/36/53/69/926365369.db2.gz MLHLJKAWSNOQDI-OAHLLOKOSA-N 2 1 399.564 3.600 20 30 GHEDMP Cc1[nH+]ccn1CCC[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000411399807 926365380 /nfs/dbraw/zinc/36/53/80/926365380.db2.gz MLHLJKAWSNOQDI-OAHLLOKOSA-N 2 1 399.564 3.600 20 30 GHEDMP C=CCOc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)cc1 ZINC001204299623 1032738639 /nfs/dbraw/zinc/73/86/39/1032738639.db2.gz CBIPLNVUCNKEAR-GPXNEJASSA-N 2 1 394.563 3.821 20 30 GHEDMP C=CCOc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)cc1 ZINC001204299623 1032738657 /nfs/dbraw/zinc/73/86/57/1032738657.db2.gz CBIPLNVUCNKEAR-GPXNEJASSA-N 2 1 394.563 3.821 20 30 GHEDMP C=CCOc1ccc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)cc1 ZINC001204299623 1032738673 /nfs/dbraw/zinc/73/86/73/1032738673.db2.gz CBIPLNVUCNKEAR-GPXNEJASSA-N 2 1 394.563 3.821 20 30 GHEDMP C=CCOc1ccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)cc1 ZINC001204299623 1032738687 /nfs/dbraw/zinc/73/86/87/1032738687.db2.gz CBIPLNVUCNKEAR-GPXNEJASSA-N 2 1 394.563 3.821 20 30 GHEDMP C=CCOC[C@H]1CCC[C@@]12C[N@H+](Cc1ccc(-n3cc[nH+]c3C)cc1)CCO2 ZINC001138548398 1024994983 /nfs/dbraw/zinc/99/49/83/1024994983.db2.gz CVLIUIXCSLRNRO-FYYLOGMGSA-N 2 1 381.520 3.754 20 30 GHEDMP C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1ccc(-n3cc[nH+]c3C)cc1)CCO2 ZINC001138548398 1024994987 /nfs/dbraw/zinc/99/49/87/1024994987.db2.gz CVLIUIXCSLRNRO-FYYLOGMGSA-N 2 1 381.520 3.754 20 30 GHEDMP C=CCc1cccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1O ZINC001138627339 1025127161 /nfs/dbraw/zinc/12/71/61/1025127161.db2.gz CRCOPOMFHBJLPB-VJBWXMMDSA-N 2 1 394.563 3.691 20 30 GHEDMP C=CCc1cccc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)c1O ZINC001138627339 1025127167 /nfs/dbraw/zinc/12/71/67/1025127167.db2.gz CRCOPOMFHBJLPB-VJBWXMMDSA-N 2 1 394.563 3.691 20 30 GHEDMP C=CCc1cccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)c1O ZINC001138627339 1025127170 /nfs/dbraw/zinc/12/71/70/1025127170.db2.gz CRCOPOMFHBJLPB-VJBWXMMDSA-N 2 1 394.563 3.691 20 30 GHEDMP Cc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)cc1C#N ZINC001139725302 1026568543 /nfs/dbraw/zinc/56/85/43/1026568543.db2.gz KHVJANAYJHOCSE-RPBOFIJWSA-N 2 1 393.575 3.827 20 30 GHEDMP Cc1ccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)cc1C#N ZINC001139725302 1026568547 /nfs/dbraw/zinc/56/85/47/1026568547.db2.gz KHVJANAYJHOCSE-RPBOFIJWSA-N 2 1 393.575 3.827 20 30 GHEDMP Cc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)cc1C#N ZINC001139725302 1026568550 /nfs/dbraw/zinc/56/85/50/1026568550.db2.gz KHVJANAYJHOCSE-RPBOFIJWSA-N 2 1 393.575 3.827 20 30 GHEDMP Cc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)cc1C#N ZINC001139725302 1026568555 /nfs/dbraw/zinc/56/85/55/1026568555.db2.gz KHVJANAYJHOCSE-RPBOFIJWSA-N 2 1 393.575 3.827 20 30 GHEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC001211221090 1027842748 /nfs/dbraw/zinc/84/27/48/1027842748.db2.gz AKQGGQQLCFCMAB-GGAORHGYSA-N 2 1 398.595 3.601 20 30 GHEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC001211221090 1027842802 /nfs/dbraw/zinc/84/28/02/1027842802.db2.gz AKQGGQQLCFCMAB-GGAORHGYSA-N 2 1 398.595 3.601 20 30 GHEDMP N#Cc1ccccc1OC1CC[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208951278 1035124454 /nfs/dbraw/zinc/12/44/54/1035124454.db2.gz AYSJRHDUOJHYJC-OAQYLSRUSA-N 2 1 375.516 3.924 20 30 GHEDMP N#Cc1ccc(O[C@@H]2CCC[N@@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001208956563 1035130042 /nfs/dbraw/zinc/13/00/42/1035130042.db2.gz BPJQGTGNHICVFS-ISKFKSNPSA-N 2 1 375.516 3.924 20 30 GHEDMP N#Cc1ccc(O[C@@H]2CCC[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001208956563 1035130045 /nfs/dbraw/zinc/13/00/45/1035130045.db2.gz BPJQGTGNHICVFS-ISKFKSNPSA-N 2 1 375.516 3.924 20 30 GHEDMP N#Cc1ccc(O[C@@H]2CCC[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001208956563 1035130051 /nfs/dbraw/zinc/13/00/51/1035130051.db2.gz BPJQGTGNHICVFS-ISKFKSNPSA-N 2 1 375.516 3.924 20 30 GHEDMP CCCCCCCC[C@H](O)C[N@H+]1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001246037483 1037153013 /nfs/dbraw/zinc/15/30/13/1037153013.db2.gz AUXZIIPWZKEQFQ-FQEVSTJZSA-N 2 1 376.589 3.842 20 30 GHEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246306299 1037286815 /nfs/dbraw/zinc/28/68/15/1037286815.db2.gz VHDRDFIPPYKEIR-QAPCUYQASA-N 2 1 385.335 3.667 20 30 GHEDMP N#CC(c1ccccc1)(c1ccccc1)[C@@H]1CC[N@H+]([C@H]2CSC3(C[NH2+]C3)C2)C1 ZINC001246899169 1037713644 /nfs/dbraw/zinc/71/36/44/1037713644.db2.gz XBDKDBWBQUARSD-FGZHOGPDSA-N 2 1 389.568 3.666 20 30 GHEDMP N#Cc1ccc(-c2noc([C@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)n2)c2ccccc12 ZINC001247904057 1038475615 /nfs/dbraw/zinc/47/56/15/1038475615.db2.gz DMXYQHWRKPHZMF-KRWDZBQOSA-N 2 1 387.487 3.693 20 30 GHEDMP Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001233081609 1038850538 /nfs/dbraw/zinc/85/05/38/1038850538.db2.gz IPYVWZTVNSDOBU-RPBOFIJWSA-N 2 1 393.575 3.827 20 30 GHEDMP Cc1cc(C#N)ccc1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001233081609 1038850563 /nfs/dbraw/zinc/85/05/63/1038850563.db2.gz IPYVWZTVNSDOBU-RPBOFIJWSA-N 2 1 393.575 3.827 20 30 GHEDMP Cc1cc(C#N)ccc1C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001233081609 1038850586 /nfs/dbraw/zinc/85/05/86/1038850586.db2.gz IPYVWZTVNSDOBU-RPBOFIJWSA-N 2 1 393.575 3.827 20 30 GHEDMP Cc1cc(C#N)ccc1C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001233081609 1038850608 /nfs/dbraw/zinc/85/06/08/1038850608.db2.gz IPYVWZTVNSDOBU-RPBOFIJWSA-N 2 1 393.575 3.827 20 30 GHEDMP N#Cc1cccc(C[N@@H+]([C@@H]2CCN(Cc3ccccc3)C2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001255106241 1040787345 /nfs/dbraw/zinc/78/73/45/1040787345.db2.gz PLTWUTDVZGOHFN-UBFVSLLYSA-N 2 1 388.559 3.905 20 30 GHEDMP CCOC(=O)[C@H]1CCC[C@@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255351279 1040956743 /nfs/dbraw/zinc/95/67/43/1040956743.db2.gz WYPHSZHBCIIQIW-MYGLTJDJSA-N 2 1 383.536 3.752 20 30 GHEDMP N#Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3cn4c5c3cccc5C[NH2+]CC4)C2)cc1 ZINC001236581660 1041767689 /nfs/dbraw/zinc/76/76/89/1041767689.db2.gz MLSLVHGRZMXHAD-JOCHJYFZSA-N 2 1 386.499 3.660 20 30 GHEDMP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cn(C)c5ccc(C#N)cc45)C[C@@H]3C2)cc1 ZINC001237467715 1042220479 /nfs/dbraw/zinc/22/04/79/1042220479.db2.gz SOKOPABVDZXAFZ-VXKWHMMOSA-N 2 1 384.527 3.922 20 30 GHEDMP COc1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)ccc1C#N ZINC001238417768 1042589371 /nfs/dbraw/zinc/58/93/71/1042589371.db2.gz ZFWBIWXKKNHKAG-DHIUTWEWSA-N 2 1 375.516 3.911 20 30 GHEDMP COc1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)ccc1C#N ZINC001238417768 1042589373 /nfs/dbraw/zinc/58/93/73/1042589373.db2.gz ZFWBIWXKKNHKAG-DHIUTWEWSA-N 2 1 375.516 3.911 20 30 GHEDMP COc1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)ccc1C#N ZINC001238417768 1042589377 /nfs/dbraw/zinc/58/93/77/1042589377.db2.gz ZFWBIWXKKNHKAG-DHIUTWEWSA-N 2 1 375.516 3.911 20 30 GHEDMP Cc1sc2nc(C[NH+](C)C)nc(-c3cc(C#N)cc(C4C[NH2+]C4)c3)c2c1C ZINC001240342840 1042922328 /nfs/dbraw/zinc/92/23/28/1042922328.db2.gz AKMIQCSWYYTTSE-UHFFFAOYSA-N 2 1 377.517 3.595 20 30 GHEDMP C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001256605983 1043571104 /nfs/dbraw/zinc/57/11/04/1043571104.db2.gz LYLCQIFACWKCSR-ZEQRLZLVSA-N 2 1 384.564 3.725 20 30 GHEDMP C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001256605983 1043571116 /nfs/dbraw/zinc/57/11/16/1043571116.db2.gz LYLCQIFACWKCSR-ZEQRLZLVSA-N 2 1 384.564 3.725 20 30 GHEDMP N#Cc1c(N)sc(C[N@@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)c1Cl ZINC001279370067 1047783768 /nfs/dbraw/zinc/78/37/68/1047783768.db2.gz DEYSSWMCPRCBBH-OKILXGFUSA-N 2 1 378.973 3.942 20 30 GHEDMP N#Cc1c(N)sc(C[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)c1Cl ZINC001279370067 1047783771 /nfs/dbraw/zinc/78/37/71/1047783771.db2.gz DEYSSWMCPRCBBH-OKILXGFUSA-N 2 1 378.973 3.942 20 30 GHEDMP N#Cc1c(N)sc(C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)c1Cl ZINC001279370067 1047783775 /nfs/dbraw/zinc/78/37/75/1047783775.db2.gz DEYSSWMCPRCBBH-OKILXGFUSA-N 2 1 378.973 3.942 20 30 GHEDMP N#Cc1ccc([C@H](O)C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001327991497 1050347080 /nfs/dbraw/zinc/34/70/80/1050347080.db2.gz HBUWLWWCXTWQCZ-UCBGAZFYSA-N 2 1 375.516 3.767 20 30 GHEDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC=C(c4ccc(C#N)cc4)CC3)cc2F)CC1 ZINC001323331530 1056953884 /nfs/dbraw/zinc/95/38/84/1056953884.db2.gz QKFVSYPVBVHCMT-UHFFFAOYSA-N 2 1 390.506 3.738 20 30 GHEDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC=C(c4ccc(C#N)cc4)CC3)cc2F)CC1 ZINC001323331530 1056953887 /nfs/dbraw/zinc/95/38/87/1056953887.db2.gz QKFVSYPVBVHCMT-UHFFFAOYSA-N 2 1 390.506 3.738 20 30 GHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C(=O)OCC)[C@@H](C(F)(F)F)C2)CC1 ZINC000892880857 839309715 /nfs/dbraw/zinc/30/97/15/839309715.db2.gz MHLDAFQTASWOIC-ZACQAIPSSA-N 2 1 376.463 3.527 20 30 GHEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc2cc(C#N)ccc2n1 ZINC000537872459 840564420 /nfs/dbraw/zinc/56/44/20/840564420.db2.gz DAGBZITVIQFDNO-UHFFFAOYSA-N 2 1 391.563 3.739 20 30 GHEDMP Cc1ccc2[nH]c([C@H]3CCC[N@@H+](CC(=O)NC4CC[NH+](C5CC5)CC4)C3)nc2c1 ZINC000329281853 861243451 /nfs/dbraw/zinc/24/34/51/861243451.db2.gz KTHISSOOVZBTBL-KRWDZBQOSA-N 2 1 395.551 3.634 20 30 GHEDMP Cc1ccc2nc([C@H]3CCC[N@H+](CC(=O)NC4CC[NH+](C5CC5)CC4)C3)[nH]c2c1 ZINC000329281853 861243465 /nfs/dbraw/zinc/24/34/65/861243465.db2.gz KTHISSOOVZBTBL-KRWDZBQOSA-N 2 1 395.551 3.634 20 30 GHEDMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000512264082 843255349 /nfs/dbraw/zinc/25/53/49/843255349.db2.gz VORJSLXNTATRKD-HXUWFJFHSA-N 2 1 384.568 3.766 20 30 GHEDMP C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCCO2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329466706 861479565 /nfs/dbraw/zinc/47/95/65/861479565.db2.gz VRYYQLJDTRJOON-IRXDYDNUSA-N 2 1 387.524 3.679 20 30 GHEDMP C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCCO2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000329466706 861479580 /nfs/dbraw/zinc/47/95/80/861479580.db2.gz VRYYQLJDTRJOON-IRXDYDNUSA-N 2 1 387.524 3.679 20 30 GHEDMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000482164146 862763905 /nfs/dbraw/zinc/76/39/05/862763905.db2.gz OHVSPDAEFCIWGQ-ONTIZHBOSA-N 2 1 384.568 3.812 20 30 GHEDMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170389395 881503611 /nfs/dbraw/zinc/50/36/11/881503611.db2.gz QPMQFZMSEHQHEI-RZMWZJFBSA-N 2 1 381.564 3.966 20 30 GHEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(-c2ccccc2C#N)cc1 ZINC000441265627 871652608 /nfs/dbraw/zinc/65/26/08/871652608.db2.gz MGYWFCJPHWYEBZ-GMKZXUHWSA-N 2 1 375.516 3.909 20 30 GHEDMP CC1(C#N)CCC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CC1 ZINC000449345430 874737521 /nfs/dbraw/zinc/73/75/21/874737521.db2.gz VMSVHQUROKSMEC-UVKLAMSESA-N 2 1 381.564 3.977 20 30 GHEDMP C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000498858510 885958326 /nfs/dbraw/zinc/95/83/26/885958326.db2.gz VBRBSYZHXTWNDS-FYYLOGMGSA-N 2 1 386.580 3.599 20 30 GHEDMP C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000498858510 885958344 /nfs/dbraw/zinc/95/83/44/885958344.db2.gz VBRBSYZHXTWNDS-FYYLOGMGSA-N 2 1 386.580 3.599 20 30 GHEDMP COc1ccc2c(c1)C[C@H]([N@@H+](Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001168256078 886820168 /nfs/dbraw/zinc/82/01/68/886820168.db2.gz BMAAKGJMIOFXPA-DNVJHFABSA-N 2 1 375.516 3.806 20 30 GHEDMP COc1ccc(CC[NH+]2CCC([NH2+][C@@H](C)Cc3ccc(C#N)cc3)CC2)cc1 ZINC001172300376 905484272 /nfs/dbraw/zinc/48/42/72/905484272.db2.gz UVZRXHDGJMMXJO-IBGZPJMESA-N 2 1 377.532 3.795 20 30 GHEDMP C[C@@H](CCCC#N)[NH2+]C1CC[NH+](C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001172478051 905556400 /nfs/dbraw/zinc/55/64/00/905556400.db2.gz BBBCUJVMVFNDBN-KRWDZBQOSA-N 2 1 378.561 3.522 20 30 GHEDMP CC(C)(C)OC(=O)N1CC[C@H]([N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C[C@H]1C#N ZINC001172978115 906043970 /nfs/dbraw/zinc/04/39/70/906043970.db2.gz LVNPZUZINVZJSB-LEAZDLGRSA-N 2 1 390.572 3.793 20 30 GHEDMP Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1C ZINC000185723377 907823013 /nfs/dbraw/zinc/82/30/13/907823013.db2.gz CKODEGHSKFAKON-LEWJYISDSA-N 2 1 396.579 3.793 20 30 GHEDMP Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1C ZINC000185723377 907823026 /nfs/dbraw/zinc/82/30/26/907823026.db2.gz CKODEGHSKFAKON-LEWJYISDSA-N 2 1 396.579 3.793 20 30 GHEDMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)cc1 ZINC000304473357 915516924 /nfs/dbraw/zinc/51/69/24/915516924.db2.gz FZUPUOYTYGJXKV-XMSQKQJNSA-N 2 1 392.547 3.989 20 30 GHEDMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=[NH2+])NCCc1ccccc1 ZINC000304807479 915722788 /nfs/dbraw/zinc/72/27/88/915722788.db2.gz TVHAIPGZSVCFJD-UHFFFAOYSA-N 2 1 376.504 3.559 20 30 GHEDMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=[NH2+])NCCc1ccccc1 ZINC000304807479 915722796 /nfs/dbraw/zinc/72/27/96/915722796.db2.gz TVHAIPGZSVCFJD-UHFFFAOYSA-N 2 1 376.504 3.559 20 30 GHEDMP N#Cc1ccc(OCCNc2ccc3c(c2)[nH+]cn3[C@H]2CCC[NH2+]CC2)cc1 ZINC001171485134 1014964921 /nfs/dbraw/zinc/96/49/21/1014964921.db2.gz CBXGIUOUGVKGSA-IBGZPJMESA-N 2 1 375.476 3.713 20 30 GHEDMP C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000924695044 1017004699 /nfs/dbraw/zinc/00/46/99/1017004699.db2.gz IDNWNKLOEDZGPS-GUDVDZBRSA-N 2 1 390.572 3.522 20 30 GHEDMP C[C@@]12C[NH+](CCCC3(C#N)CCOCC3)C[C@@]1(C)C[NH+](Cc1ccccc1)C2 ZINC000931225484 1017944584 /nfs/dbraw/zinc/94/45/84/1017944584.db2.gz ULOVMPKXZHRCSE-GOTSBHOMSA-N 2 1 381.564 3.931 20 30 GHEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)CC1 ZINC000579344294 1020407360 /nfs/dbraw/zinc/40/73/60/1020407360.db2.gz XWKMJHFJJZZLGM-NOZRDPDXSA-N 2 1 394.559 3.702 20 30 GHEDMP N#Cc1ncc(Cl)cc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162933750 1025972380 /nfs/dbraw/zinc/97/23/80/1025972380.db2.gz HSYMJYKYMPDODM-GOSISDBHSA-N 2 1 395.938 3.520 20 30 GHEDMP N#CCc1cc(F)cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1 ZINC001162942303 1025978758 /nfs/dbraw/zinc/97/87/58/1025978758.db2.gz UZRDCWDKGQRSRQ-NRFANRHFSA-N 2 1 392.522 3.805 20 30 GHEDMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(C#N)cc1)CC2 ZINC001203902814 1027696868 /nfs/dbraw/zinc/69/68/68/1027696868.db2.gz LHQXXIOWWQMFNN-HXUWFJFHSA-N 2 1 381.545 3.875 20 30 GHEDMP C=C1C[NH2+][C@](C)(C(=O)N(Cc2ccccc2)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001160684650 1035035360 /nfs/dbraw/zinc/03/53/60/1035035360.db2.gz XVAONZVSWWOUMK-ZCYQVOJMSA-N 2 1 389.543 3.598 20 30 GHEDMP N#Cc1ccc(CC[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)cc1 ZINC001208923352 1035091050 /nfs/dbraw/zinc/09/10/50/1035091050.db2.gz PHCLEGUEFMWQDB-DQEYMECFSA-N 2 1 393.575 3.561 20 30 GHEDMP N#Cc1ccc(CC[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)cc1 ZINC001208923352 1035091060 /nfs/dbraw/zinc/09/10/60/1035091060.db2.gz PHCLEGUEFMWQDB-DQEYMECFSA-N 2 1 393.575 3.561 20 30 GHEDMP N#Cc1ccc(CC[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)cc1 ZINC001208923352 1035091068 /nfs/dbraw/zinc/09/10/68/1035091068.db2.gz PHCLEGUEFMWQDB-DQEYMECFSA-N 2 1 393.575 3.561 20 30 GHEDMP C=CCOC(=O)N1CCC2(C[NH+](C[C@H]3CCC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC001208931225 1035095019 /nfs/dbraw/zinc/09/50/19/1035095019.db2.gz ILHOKAUJSXNDJB-QFIPXVFZSA-N 2 1 397.563 3.619 20 30 GHEDMP C=CCOC(=O)N1CCC2(C[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC001208931225 1035095026 /nfs/dbraw/zinc/09/50/26/1035095026.db2.gz ILHOKAUJSXNDJB-QFIPXVFZSA-N 2 1 397.563 3.619 20 30 GHEDMP C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208949879 1035120827 /nfs/dbraw/zinc/12/08/27/1035120827.db2.gz ZHVQYHSYSAGSRK-VWNXMTODSA-N 2 1 397.563 3.619 20 30 GHEDMP C=CCOC(=O)N1CCC[C@@]2(CC[NH+](C[C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001208949879 1035120830 /nfs/dbraw/zinc/12/08/30/1035120830.db2.gz ZHVQYHSYSAGSRK-VWNXMTODSA-N 2 1 397.563 3.619 20 30 GHEDMP C=CCOC(=O)N1CCC[C@@]2(CC[NH+](C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001208949879 1035120834 /nfs/dbraw/zinc/12/08/34/1035120834.db2.gz ZHVQYHSYSAGSRK-VWNXMTODSA-N 2 1 397.563 3.619 20 30 GHEDMP C=CCOC(=O)N1CCC2(CCC[N@H+](C3CCC4(CC[NH2+]CC4)CC3)C2)CC1 ZINC001246527448 1037460767 /nfs/dbraw/zinc/46/07/67/1037460767.db2.gz UOHWFJYJYCEZRZ-UHFFFAOYSA-N 2 1 389.584 3.799 20 30 GHEDMP C[N@@H+]1CCC[C@@H](NC(=[NH2+])c2cc3ccc(OC(=O)c4cccs4)cc3s2)C1 ZINC001255473213 1041074995 /nfs/dbraw/zinc/07/49/95/1041074995.db2.gz PYGJUTIBIGJSHT-CQSZACIVSA-N 2 1 399.541 3.982 20 30 GHEDMP C[N@H+]1CCC[C@@H](NC(=[NH2+])c2cc3ccc(OC(=O)c4cccs4)cc3s2)C1 ZINC001255473213 1041075008 /nfs/dbraw/zinc/07/50/08/1041075008.db2.gz PYGJUTIBIGJSHT-CQSZACIVSA-N 2 1 399.541 3.982 20 30 GHEDMP C=CCN1CC[C@@]2(C[NH+](C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C[C@@H]2c2ccccc2)C1=O ZINC001255675775 1041206685 /nfs/dbraw/zinc/20/66/85/1041206685.db2.gz AZPVUCQTRVWAHZ-NXEBKLTBSA-N 2 1 393.575 3.506 20 30 GHEDMP C=CCN1CC[C@@]2(C[N@H+](C3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@@H]2c2ccccc2)C1=O ZINC001255675775 1041206709 /nfs/dbraw/zinc/20/67/09/1041206709.db2.gz AZPVUCQTRVWAHZ-NXEBKLTBSA-N 2 1 393.575 3.506 20 30 GHEDMP C=CCN1CC[C@@]2(C[N@@H+](C3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@@H]2c2ccccc2)C1=O ZINC001255675775 1041206726 /nfs/dbraw/zinc/20/67/26/1041206726.db2.gz AZPVUCQTRVWAHZ-NXEBKLTBSA-N 2 1 393.575 3.506 20 30 GHEDMP COC(=O)c1cccc(C[N@@H+](CCCc2cccc(C#N)c2)C2CC[NH2+]CC2)c1 ZINC001236465317 1041727314 /nfs/dbraw/zinc/72/73/14/1041727314.db2.gz RSGWWJXWGYXFND-UHFFFAOYSA-N 2 1 391.515 3.532 20 30 GHEDMP [NH3+]C1CCN(C2CC[NH+](Cc3ccc(C#Cc4ccccc4)s3)CC2)CC1 ZINC001236582697 1041767737 /nfs/dbraw/zinc/76/77/37/1041767737.db2.gz GQRFJIDUBFKVGI-UHFFFAOYSA-N 2 1 379.573 3.535 20 30 GHEDMP C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001256603612 1043567780 /nfs/dbraw/zinc/56/77/80/1043567780.db2.gz HYLZJRBZFZFMDE-DEOSSOPVSA-N 2 1 397.563 3.762 20 30 GHEDMP C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC001256603612 1043567791 /nfs/dbraw/zinc/56/77/91/1043567791.db2.gz HYLZJRBZFZFMDE-DEOSSOPVSA-N 2 1 397.563 3.762 20 30 GHEDMP COC(=O)CC1CCC([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001256979672 1043781595 /nfs/dbraw/zinc/78/15/95/1043781595.db2.gz DWLUZHCOVYSZPQ-OGWRICIPSA-N 2 1 383.536 3.752 20 30 GHEDMP c1ccc(NC(=[NH+]Cc2ccc(C[NH+]3CCOCC3)cc2)N2CCCCC2)cc1 ZINC000849056261 1057567574 /nfs/dbraw/zinc/56/75/74/1057567574.db2.gz GRBFJBQINMXTMD-UHFFFAOYSA-N 2 1 392.547 3.973 20 30 GHEDMP CN1CC[NH+](Cc2cccc(C[NH2+]Cc3ccc(C(C)(C)C#N)cc3)c2)CC1 ZINC001349839691 1063924537 /nfs/dbraw/zinc/92/45/37/1063924537.db2.gz MUUMOHZSBBJWPH-UHFFFAOYSA-N 2 1 376.548 3.525 20 30 GHEDMP C[N@@H+]1CCC[C@H](C[NH+]2CCC(C#N)(c3ccc(Br)cc3)CC2)C1 ZINC001208613652 835229943 /nfs/dbraw/zinc/22/99/43/835229943.db2.gz XKBGYIIDGTVVHL-INIZCTEOSA-N 2 1 376.342 3.648 20 30 GHEDMP C[N@H+]1CCC[C@H](C[NH+]2CCC(C#N)(c3ccc(Br)cc3)CC2)C1 ZINC001208613652 835229948 /nfs/dbraw/zinc/22/99/48/835229948.db2.gz XKBGYIIDGTVVHL-INIZCTEOSA-N 2 1 376.342 3.648 20 30 GHEDMP C[N@H+](CCC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)C1CCCCC1 ZINC000278542511 835349397 /nfs/dbraw/zinc/34/93/97/835349397.db2.gz AFHMTGVWFDMCJM-UHFFFAOYSA-N 2 1 380.540 3.603 20 30 GHEDMP C[N@@H+](CCC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)C1CCCCC1 ZINC000278542511 835349406 /nfs/dbraw/zinc/34/94/06/835349406.db2.gz AFHMTGVWFDMCJM-UHFFFAOYSA-N 2 1 380.540 3.603 20 30 GHEDMP C[N@H+](CCC(=O)Nc1sccc1C#N)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179391163 835669217 /nfs/dbraw/zinc/66/92/17/835669217.db2.gz PUEXOJKZEKNUHB-UHFFFAOYSA-N 2 1 397.548 3.582 20 30 GHEDMP Cn1cc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180050072 836920200 /nfs/dbraw/zinc/92/02/00/836920200.db2.gz KNDVLKKLJRXZIQ-UHFFFAOYSA-N 2 1 399.542 3.755 20 30 GHEDMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2sccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000156961557 840938887 /nfs/dbraw/zinc/93/88/87/840938887.db2.gz LLZHTZYMCLARKJ-PXNSSMCTSA-N 2 1 396.560 3.933 20 30 GHEDMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2sccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000156961557 840938900 /nfs/dbraw/zinc/93/89/00/840938900.db2.gz LLZHTZYMCLARKJ-PXNSSMCTSA-N 2 1 396.560 3.933 20 30 GHEDMP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2sccc2C#N)CC[NH+]1Cc1ccccc1 ZINC000156961557 840938903 /nfs/dbraw/zinc/93/89/03/840938903.db2.gz LLZHTZYMCLARKJ-PXNSSMCTSA-N 2 1 396.560 3.933 20 30 GHEDMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2sccc2C#N)CC[NH+]1Cc1ccccc1 ZINC000156961557 840938911 /nfs/dbraw/zinc/93/89/11/840938911.db2.gz LLZHTZYMCLARKJ-PXNSSMCTSA-N 2 1 396.560 3.933 20 30 GHEDMP CC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccc(C[NH+](C)C)cc1 ZINC000599659215 861490306 /nfs/dbraw/zinc/49/03/06/861490306.db2.gz GGDBWEBFNQCIRL-UHFFFAOYSA-N 2 1 384.911 3.734 20 30 GHEDMP CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccc(C[NH+](C)C)cc1 ZINC000599659215 861490312 /nfs/dbraw/zinc/49/03/12/861490312.db2.gz GGDBWEBFNQCIRL-UHFFFAOYSA-N 2 1 384.911 3.734 20 30 GHEDMP C=CCOc1c(Br)cc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1OC ZINC000435440085 850530363 /nfs/dbraw/zinc/53/03/63/850530363.db2.gz ZFVBZDRVBFEMTR-OAHLLOKOSA-N 2 1 383.330 3.596 20 30 GHEDMP CCN1CCC[C@@H](C[N@H+](C)CC#Cc2cccc(Cl)c2)[C@@H]1c1cnn(C)c1 ZINC000434749320 851617743 /nfs/dbraw/zinc/61/77/43/851617743.db2.gz XPGMFOZEHFVJTJ-SIKLNZKXSA-N 2 1 384.955 3.830 20 30 GHEDMP CCN1CCC[C@@H](C[N@@H+](C)CC#Cc2cccc(Cl)c2)[C@@H]1c1cnn(C)c1 ZINC000434749320 851617749 /nfs/dbraw/zinc/61/77/49/851617749.db2.gz XPGMFOZEHFVJTJ-SIKLNZKXSA-N 2 1 384.955 3.830 20 30 GHEDMP C=C(C)C[NH+]1CCC(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000517318581 853652551 /nfs/dbraw/zinc/65/25/51/853652551.db2.gz XGPIWCRGTZBVIJ-FQEVSTJZSA-N 2 1 398.595 3.758 20 30 GHEDMP C[N@@H+](CCC[NH+]1CCCC1)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000499933299 860214673 /nfs/dbraw/zinc/21/46/73/860214673.db2.gz CKQFCNNKKIGCGR-UHFFFAOYSA-N 2 1 388.581 3.635 20 30 GHEDMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1F ZINC000552251174 860407843 /nfs/dbraw/zinc/40/78/43/860407843.db2.gz MUWXDKSKQKWORS-UHFFFAOYSA-N 2 1 389.478 3.950 20 30 GHEDMP C[N@H+]1CC[C@H](CNC(=[NH2+])NCCc2cccs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000305711956 866628057 /nfs/dbraw/zinc/62/80/57/866628057.db2.gz YBXYQYMUUOMOOE-KDOFPFPSSA-N 2 1 394.947 3.680 20 30 GHEDMP C[N@@H+](CCCOc1cccc(C#N)c1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540044196 870298347 /nfs/dbraw/zinc/29/83/47/870298347.db2.gz PALUQWOZABZBNH-UHFFFAOYSA-N 2 1 378.520 3.961 20 30 GHEDMP C=CCN(CC=C)C(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000615319899 871914133 /nfs/dbraw/zinc/91/41/33/871914133.db2.gz OJIABIIOONOAFL-QHAWAJNXSA-N 2 1 383.580 3.843 20 30 GHEDMP C[C@H]1CCCC[N@H+]1CCC1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000478047339 872417619 /nfs/dbraw/zinc/41/76/19/872417619.db2.gz PYPXKTYRSJHJCW-CVDCTZTESA-N 2 1 394.563 3.640 20 30 GHEDMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000478047339 872417634 /nfs/dbraw/zinc/41/76/34/872417634.db2.gz PYPXKTYRSJHJCW-CVDCTZTESA-N 2 1 394.563 3.640 20 30 GHEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000478047339 872417650 /nfs/dbraw/zinc/41/76/50/872417650.db2.gz PYPXKTYRSJHJCW-CVDCTZTESA-N 2 1 394.563 3.640 20 30 GHEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000153033927 873134166 /nfs/dbraw/zinc/13/41/66/873134166.db2.gz JTFBFJALCNUFSP-OAHLLOKOSA-N 2 1 399.457 3.932 20 30 GHEDMP C=CCOc1c(Cl)cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1OC ZINC000858136445 882871395 /nfs/dbraw/zinc/87/13/95/882871395.db2.gz SVRQFETYJBJZTQ-SFHVURJKSA-N 2 1 394.943 3.646 20 30 GHEDMP C=C(Cl)C[C@@H]([NH3+])c1nc(-c2ccc(N3CCC[N@@H+](C)CC3)c(Cl)c2)no1 ZINC000872177393 891200132 /nfs/dbraw/zinc/20/01/32/891200132.db2.gz IUAWYRHHWOMYJN-OAHLLOKOSA-N 2 1 396.322 3.674 20 30 GHEDMP C=C(Cl)C[C@@H]([NH3+])c1nc(-c2ccc(N3CCC[N@H+](C)CC3)c(Cl)c2)no1 ZINC000872177393 891200145 /nfs/dbraw/zinc/20/01/45/891200145.db2.gz IUAWYRHHWOMYJN-OAHLLOKOSA-N 2 1 396.322 3.674 20 30 GHEDMP Cc1cc(N2CCC([NH2+][C@@H]3CCCCc4cc(C#N)ccc43)CC2)nc(C)[nH+]1 ZINC000577810527 903225299 /nfs/dbraw/zinc/22/52/99/903225299.db2.gz VNRJVGDCWZPRTN-JOCHJYFZSA-N 2 1 375.520 3.991 20 30 GHEDMP CCOC(=O)C[C@@H]1CC[C@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173634555 906586003 /nfs/dbraw/zinc/58/60/03/906586003.db2.gz VQNYROMSZDIAOS-YSFYHYPLSA-N 2 1 383.536 3.752 20 30 GHEDMP N#Cc1cccc(C[N@@H+](C2CCN(CC(F)(F)F)CC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001173666547 906603129 /nfs/dbraw/zinc/60/31/29/906603129.db2.gz PVTYIEUUHQUCSH-WGSAOQKQSA-N 2 1 394.485 3.657 20 30 GHEDMP C=CCOc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)cc1Cl ZINC001177636794 908683908 /nfs/dbraw/zinc/68/39/08/908683908.db2.gz GPCBJUUGSUTTHB-UHFFFAOYSA-N 2 1 399.966 3.942 20 30 GHEDMP CC[C@@H](C)c1ccc(NC(=[NH2+])NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000303776930 915122396 /nfs/dbraw/zinc/12/23/96/915122396.db2.gz ICLGREYNRSSPIR-GOSISDBHSA-N 2 1 380.536 3.959 20 30 GHEDMP C[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000305217391 916012793 /nfs/dbraw/zinc/01/27/93/916012793.db2.gz INONJCOBFSMNIK-AWEZNQCLSA-N 2 1 392.425 3.759 20 30 GHEDMP C[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)[N@H+]1CCc2ccccc2C1 ZINC000305217391 916012809 /nfs/dbraw/zinc/01/28/09/916012809.db2.gz INONJCOBFSMNIK-AWEZNQCLSA-N 2 1 392.425 3.759 20 30 GHEDMP CCC[N@H+](Cc1cc(C#N)ccc1F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477316 919392675 /nfs/dbraw/zinc/39/26/75/919392675.db2.gz OHGGCRGSMUQIAP-UHFFFAOYSA-N 2 1 381.499 3.985 20 30 GHEDMP CCC[N@@H+](Cc1cc(C#N)ccc1F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477316 919392770 /nfs/dbraw/zinc/39/27/70/919392770.db2.gz OHGGCRGSMUQIAP-UHFFFAOYSA-N 2 1 381.499 3.985 20 30 GHEDMP C#C[C@H](COc1cccc(Cl)c1)Oc1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001218439093 1030936953 /nfs/dbraw/zinc/93/69/53/1030936953.db2.gz QRSYRYKWRVYTKL-HXUWFJFHSA-N 2 1 384.907 3.723 20 30 GHEDMP C[N@@H+](Cc1ccccc1NC(=O)[C@@H]([NH3+])Cc1ccccc1C#N)C1CCCCC1 ZINC001219024004 1031218768 /nfs/dbraw/zinc/21/87/68/1031218768.db2.gz OSVTXMYAKMSEOB-QFIPXVFZSA-N 2 1 390.531 3.831 20 30 GHEDMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4ccc(F)c(C#N)c4)CC3)C2)cc1 ZINC001205473359 1033428798 /nfs/dbraw/zinc/42/87/98/1033428798.db2.gz WPPYEJFAKOVRDT-UHFFFAOYSA-N 2 1 393.506 3.873 20 30 GHEDMP Cc1[nH+]c2ccc(Br)cn2c1Nc1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001159371256 1034569134 /nfs/dbraw/zinc/56/91/34/1034569134.db2.gz FTHCYRYVHOOEMB-UHFFFAOYSA-N 2 1 382.265 3.707 20 30 GHEDMP C#Cc1cccc(C[NH+]2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)c1 ZINC001231655967 1034813041 /nfs/dbraw/zinc/81/30/41/1034813041.db2.gz WOKRMHGREZLXHR-XMMPIXPASA-N 2 1 389.543 3.566 20 30 GHEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H]1CC[NH2+][C@H](Cc3ccccc3)C1)[C@H]2CC ZINC001246703034 1037555005 /nfs/dbraw/zinc/55/50/05/1037555005.db2.gz HPLXBNSQGGEXKK-AHCIIZGASA-N 2 1 395.591 3.771 20 30 GHEDMP C=CCN1C(=O)CCC[C@]12CCC[N@@H+]([C@H]1CC[NH2+][C@H](c3ccc(F)cc3C)C1)C2 ZINC001246709171 1037560716 /nfs/dbraw/zinc/56/07/16/1037560716.db2.gz SFMLZNHAEBHTON-ODGPQVTHSA-N 2 1 399.554 3.960 20 30 GHEDMP C=CCN1C(=O)CCC[C@]12CCC[N@H+]([C@H]1CC[NH2+][C@H](c3ccc(F)cc3C)C1)C2 ZINC001246709171 1037560731 /nfs/dbraw/zinc/56/07/31/1037560731.db2.gz SFMLZNHAEBHTON-ODGPQVTHSA-N 2 1 399.554 3.960 20 30 GHEDMP COC(=O)c1cccc(C[N@@H+]([C@@H](C)Cc2ccc(C#N)cc2)C2CC[NH2+]CC2)c1 ZINC001246959904 1037778399 /nfs/dbraw/zinc/77/83/99/1037778399.db2.gz UIMFDUIUJKMWIC-SFHVURJKSA-N 2 1 391.515 3.530 20 30 GHEDMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(C#N)s1)CC2 ZINC001232843504 1038594765 /nfs/dbraw/zinc/59/47/65/1038594765.db2.gz ZCBMRIQURCGBPO-MRXNPFEDSA-N 2 1 387.574 3.937 20 30 GHEDMP C[N@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(C#N)cc1O)CC2 ZINC001233384759 1039208591 /nfs/dbraw/zinc/20/85/91/1039208591.db2.gz HXXXZQCQSPOARG-IBGZPJMESA-N 2 1 397.544 3.581 20 30 GHEDMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(C#N)cc1O)CC2 ZINC001233384759 1039208598 /nfs/dbraw/zinc/20/85/98/1039208598.db2.gz HXXXZQCQSPOARG-IBGZPJMESA-N 2 1 397.544 3.581 20 30 GHEDMP CCOC(=O)C1CCC([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001255256480 1040928560 /nfs/dbraw/zinc/92/85/60/1040928560.db2.gz ACIVSEQXLKODGT-KYDXEYDTSA-N 2 1 383.536 3.752 20 30 GHEDMP C=CCN1CC[C@@]2(C[N@@H+]([C@H](C)CC[NH+](CC)CC)C[C@@H]2c2ccccc2)C1=O ZINC001255958928 1041436181 /nfs/dbraw/zinc/43/61/81/1041436181.db2.gz HRPYOBSIKAFUEB-BKULYWANSA-N 2 1 383.580 3.611 20 30 GHEDMP COCCC[N@@H+](Cc1ccc(Oc2ccc(C#N)cc2)cc1)C1CC[NH2+]CC1 ZINC001235936417 1041442173 /nfs/dbraw/zinc/44/21/73/1041442173.db2.gz BTXPTZYBSZXDCJ-UHFFFAOYSA-N 2 1 379.504 3.941 20 30 GHEDMP C=CCN1CC[C@]2(CCC[N@H+](Cc3ccc4c(c3)C(C(C)C)=[NH+]CC4)C2)C1=O ZINC001237876772 1042405713 /nfs/dbraw/zinc/40/57/13/1042405713.db2.gz HXPOEMRJGLKWMK-DEOSSOPVSA-N 2 1 379.548 3.688 20 30 GHEDMP CCCCCCCCC[C@@H](C)[N@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001258228914 1044479031 /nfs/dbraw/zinc/47/90/31/1044479031.db2.gz LGZZSGBCFZGEFT-GOSISDBHSA-N 2 1 392.588 3.853 20 30 GHEDMP C[NH+]1CCN(c2ccc(C[NH2+]C(C)(C)Cc3ccc(C#N)cc3)cc2F)CC1 ZINC001308530325 1050000506 /nfs/dbraw/zinc/00/05/06/1050000506.db2.gz VQIDVDRGNRPMNC-UHFFFAOYSA-N 2 1 380.511 3.560 20 30 GHEDMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH+]=C(Nc2ccccc2)N2CCCCC2)C1 ZINC000849079217 1057583850 /nfs/dbraw/zinc/58/38/50/1057583850.db2.gz ZJAPGRBUMDVIGU-HSZRJFAPSA-N 2 1 392.547 3.707 20 30 GHEDMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3c(C)cc(C#N)cc3C)C2)ccn1 ZINC001473668321 1074076373 /nfs/dbraw/zinc/07/63/73/1074076373.db2.gz ZBZJKFVTNVXPGV-JOCHJYFZSA-N 2 1 378.520 3.675 20 30 GHEDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3c(C)cc(C#N)cc3C)C2)ccn1 ZINC001473668321 1074076378 /nfs/dbraw/zinc/07/63/78/1074076378.db2.gz ZBZJKFVTNVXPGV-JOCHJYFZSA-N 2 1 378.520 3.675 20 30 GHEDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3c(C)cc(C#N)cc3C)C2)ccn1 ZINC001473668321 1074076382 /nfs/dbraw/zinc/07/63/82/1074076382.db2.gz ZBZJKFVTNVXPGV-JOCHJYFZSA-N 2 1 378.520 3.675 20 30 GHEDMP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000195290844 840446442 /nfs/dbraw/zinc/44/64/42/840446442.db2.gz FZFTXROQSFPKPF-IBGZPJMESA-N 2 1 396.535 3.733 20 30 GHEDMP C=CCOc1c(Br)cc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1OC ZINC000093088997 843650569 /nfs/dbraw/zinc/65/05/69/843650569.db2.gz KGHAAGQOVGVRBS-UHFFFAOYSA-N 2 1 397.357 3.796 20 30 GHEDMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(C#N)cc1F ZINC000512647697 844876202 /nfs/dbraw/zinc/87/62/02/844876202.db2.gz JFOQDPAQLXTWEI-JPYJTQIMSA-N 2 1 380.511 3.727 20 30 GHEDMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000538397813 845406518 /nfs/dbraw/zinc/40/65/18/845406518.db2.gz XUVLZBXHXTXDLB-BGYRXZFFSA-N 2 1 382.596 3.869 20 30 GHEDMP COc1ccc(NC(=[NH2+])NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000262014801 851149374 /nfs/dbraw/zinc/14/93/74/851149374.db2.gz KQYUNIWOINDCLE-IFXJQAMLSA-N 2 1 390.890 3.907 20 30 GHEDMP C=CCOc1c(Br)cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1OCC ZINC000414953252 852861557 /nfs/dbraw/zinc/86/15/57/852861557.db2.gz JMOBBJDLPDQZHS-CJNGLKHVSA-N 2 1 383.330 3.500 20 30 GHEDMP C[NH+](C)CC1CC[NH+](c2ccc(NCc3cnc4ccc(C#N)cn34)cc2)CC1 ZINC000151379814 853366953 /nfs/dbraw/zinc/36/69/53/853366953.db2.gz RKPRQUOPOJTHAN-UHFFFAOYSA-N 2 1 388.519 3.596 20 30 GHEDMP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000574692581 855714509 /nfs/dbraw/zinc/71/45/09/855714509.db2.gz BFKYGRGNWOUZRV-VJTSUQJLSA-N 2 1 389.543 3.798 20 30 GHEDMP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000574692581 855714513 /nfs/dbraw/zinc/71/45/13/855714513.db2.gz BFKYGRGNWOUZRV-VJTSUQJLSA-N 2 1 389.543 3.798 20 30 GHEDMP N#Cc1ccccc1-c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000594503103 858194167 /nfs/dbraw/zinc/19/41/67/858194167.db2.gz SMDUTLIWXYFJPW-QHCPKHFHSA-N 2 1 375.516 3.958 20 30 GHEDMP N#Cc1ccc(OC2CCC([NH2+]C3CC[NH+](Cc4ccccc4)CC3)CC2)nc1 ZINC000092853938 860147030 /nfs/dbraw/zinc/14/70/30/860147030.db2.gz JOYIIYQGWGKLNX-UHFFFAOYSA-N 2 1 390.531 3.897 20 30 GHEDMP [NH2+]=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N[C@@H]1CCOc2ccccc21 ZINC000262277867 860973620 /nfs/dbraw/zinc/97/36/20/860973620.db2.gz IKGMEERVMRFURS-RBBKRZOGSA-N 2 1 392.547 3.717 20 30 GHEDMP CC[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000609029802 865906118 /nfs/dbraw/zinc/90/61/18/865906118.db2.gz CQLBRMVAAGEMKX-UHFFFAOYSA-N 2 1 384.911 3.734 20 30 GHEDMP CC[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000609029802 865906124 /nfs/dbraw/zinc/90/61/24/865906124.db2.gz CQLBRMVAAGEMKX-UHFFFAOYSA-N 2 1 384.911 3.734 20 30 GHEDMP CC[N@H+](CCC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C#N)CC1)CC(C)C ZINC000540197932 870739249 /nfs/dbraw/zinc/73/92/49/870739249.db2.gz VDUSJVUGRWFOAY-LJQANCHMSA-N 2 1 384.568 3.965 20 30 GHEDMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C#N)CC1)CC(C)C ZINC000540197932 870739255 /nfs/dbraw/zinc/73/92/55/870739255.db2.gz VDUSJVUGRWFOAY-LJQANCHMSA-N 2 1 384.568 3.965 20 30 GHEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)CC1 ZINC000533089441 889754443 /nfs/dbraw/zinc/75/44/43/889754443.db2.gz KDGLMHQZUODLFT-UXHICEINSA-N 2 1 395.547 3.614 20 30 GHEDMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc(OCC#N)cc3)C[C@@H]21 ZINC001137119615 893573945 /nfs/dbraw/zinc/57/39/45/893573945.db2.gz ZOPDFVOMNOHBGW-FGCOXFRFSA-N 2 1 390.531 3.716 20 30 GHEDMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH+](Cc3ccc(OCC#N)cc3)C[C@@H]21 ZINC001137119615 893573964 /nfs/dbraw/zinc/57/39/64/893573964.db2.gz ZOPDFVOMNOHBGW-FGCOXFRFSA-N 2 1 390.531 3.716 20 30 GHEDMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@@H]21 ZINC001137119615 893573981 /nfs/dbraw/zinc/57/39/81/893573981.db2.gz ZOPDFVOMNOHBGW-FGCOXFRFSA-N 2 1 390.531 3.716 20 30 GHEDMP C[NH+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@@H]21 ZINC001137119615 893573995 /nfs/dbraw/zinc/57/39/95/893573995.db2.gz ZOPDFVOMNOHBGW-FGCOXFRFSA-N 2 1 390.531 3.716 20 30 GHEDMP C#CCCOc1ccc(C[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cc1 ZINC000113341919 898987015 /nfs/dbraw/zinc/98/70/15/898987015.db2.gz AYOOKGKBSSSDSY-UHFFFAOYSA-N 2 1 381.520 3.695 20 30 GHEDMP C=CCOC(=O)N[C@H]1CCC[NH+]([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171990720 905201450 /nfs/dbraw/zinc/20/14/50/905201450.db2.gz NFGAHYRHRUDGFR-LEWJYISDSA-N 2 1 385.552 3.806 20 30 GHEDMP C=CCOC(=O)N[C@H]1CCC[NH+]([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171990720 905201458 /nfs/dbraw/zinc/20/14/58/905201458.db2.gz NFGAHYRHRUDGFR-LEWJYISDSA-N 2 1 385.552 3.806 20 30 GHEDMP C=CCOC(=O)N[C@H]1CCC[N@@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171990720 905201474 /nfs/dbraw/zinc/20/14/74/905201474.db2.gz NFGAHYRHRUDGFR-LEWJYISDSA-N 2 1 385.552 3.806 20 30 GHEDMP C=CCOC(=O)N[C@H]1CCC[N@H+]([C@@H]2CC[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171990720 905201489 /nfs/dbraw/zinc/20/14/89/905201489.db2.gz NFGAHYRHRUDGFR-LEWJYISDSA-N 2 1 385.552 3.806 20 30 GHEDMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172988686 906054232 /nfs/dbraw/zinc/05/42/32/906054232.db2.gz CNWUEXUXRVRCND-MUGJNUQGSA-N 2 1 390.572 3.617 20 30 GHEDMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172988686 906054238 /nfs/dbraw/zinc/05/42/38/906054238.db2.gz CNWUEXUXRVRCND-MUGJNUQGSA-N 2 1 390.572 3.617 20 30 GHEDMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172988686 906054251 /nfs/dbraw/zinc/05/42/51/906054251.db2.gz CNWUEXUXRVRCND-MUGJNUQGSA-N 2 1 390.572 3.617 20 30 GHEDMP C[N@@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](C1CCC(CC#N)CC1)CC2 ZINC001173336251 906379889 /nfs/dbraw/zinc/37/98/89/906379889.db2.gz TXLYEPLXBBFZFI-KITAHSCOSA-N 2 1 382.552 3.609 20 30 GHEDMP C=CC[NH+]1CCC([NH2+]Cc2cc(C)c(I)cc2C)CC1 ZINC001177683582 908696614 /nfs/dbraw/zinc/69/66/14/908696614.db2.gz KNZRGGZZSPEMTP-UHFFFAOYSA-N 2 1 384.305 3.648 20 30 GHEDMP CC(C)Oc1ccc(NC(=[NH2+])NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000303877568 915236688 /nfs/dbraw/zinc/23/66/88/915236688.db2.gz IRPKALVYPCJGPU-HXUWFJFHSA-N 2 1 380.536 3.765 20 30 GHEDMP C=CCOc1ccc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1Cl ZINC000678296129 924712412 /nfs/dbraw/zinc/71/24/12/924712412.db2.gz PJYBUCVASXCIKO-UHFFFAOYSA-N 2 1 391.987 3.895 20 30 GHEDMP N#CC1(CC[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCCCC1 ZINC000411724052 926692671 /nfs/dbraw/zinc/69/26/71/926692671.db2.gz XQRLYZQOUWJDNA-QHCPKHFHSA-N 2 1 380.580 3.743 20 30 GHEDMP N#CC1(CC[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CCCCC1 ZINC000411724052 926692679 /nfs/dbraw/zinc/69/26/79/926692679.db2.gz XQRLYZQOUWJDNA-QHCPKHFHSA-N 2 1 380.580 3.743 20 30 GHEDMP C=CCn1c(CC[NH+]2CCCCC2)nn(C[NH+]2C[C@@H]3CCCC[C@H]3C2)c1=S ZINC000749975297 927380233 /nfs/dbraw/zinc/38/02/33/927380233.db2.gz HFCLFFNBGMRCQQ-OALUTQOASA-N 2 1 389.613 3.708 20 30 GHEDMP C=CCCCCC[C@H]([NH3+])C(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCOC ZINC001221411689 1032404313 /nfs/dbraw/zinc/40/43/13/1032404313.db2.gz GWMPIVODZFUNGK-VQTJNVASSA-N 2 1 395.975 3.539 20 30 GHEDMP C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1ccc(-n3cc[nH+]c3C)cc1)C2 ZINC001138542587 1024985135 /nfs/dbraw/zinc/98/51/35/1024985135.db2.gz GCPFCBPWPCLUOZ-GOTSBHOMSA-N 2 1 381.520 3.754 20 30 GHEDMP C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1ccc(-n3cc[nH+]c3C)cc1)C2 ZINC001138542587 1024985141 /nfs/dbraw/zinc/98/51/41/1024985141.db2.gz GCPFCBPWPCLUOZ-GOTSBHOMSA-N 2 1 381.520 3.754 20 30 GHEDMP C=CCOCc1ncn2c1C[N@@H+](CC1CC[NH+](Cc3ccccc3)CC1)CCC2 ZINC001207289711 1034240501 /nfs/dbraw/zinc/24/05/01/1034240501.db2.gz WWICLYGILVRQRJ-UHFFFAOYSA-N 2 1 394.563 3.704 20 30 GHEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)CC1 ZINC001208175339 1034774293 /nfs/dbraw/zinc/77/42/93/1034774293.db2.gz UKSKHFLBJHZLBB-DNVJHFABSA-N 2 1 385.596 3.696 20 30 GHEDMP C#Cc1cccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccc(OC)c2)CCO3)c1 ZINC001231654850 1034812885 /nfs/dbraw/zinc/81/28/85/1034812885.db2.gz GYCPNUDAOGPOBA-UHFFFAOYSA-N 2 1 390.527 3.544 20 30 GHEDMP C#Cc1cccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccc(OC)c2)CCO3)c1 ZINC001231654850 1034812895 /nfs/dbraw/zinc/81/28/95/1034812895.db2.gz GYCPNUDAOGPOBA-UHFFFAOYSA-N 2 1 390.527 3.544 20 30 GHEDMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](CCc1ccc(C#N)cc1)CC2 ZINC001208922824 1035090260 /nfs/dbraw/zinc/09/02/60/1035090260.db2.gz LGCNYQPNFOWYIL-OAQYLSRUSA-N 2 1 395.572 3.918 20 30 GHEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208942409 1035112082 /nfs/dbraw/zinc/11/20/82/1035112082.db2.gz QCHSPKKUTJKEOD-VWNXMTODSA-N 2 1 381.564 3.542 20 30 GHEDMP C=CCN1C(=O)CCC[C@@]12CCC[NH+](C[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208942409 1035112086 /nfs/dbraw/zinc/11/20/86/1035112086.db2.gz QCHSPKKUTJKEOD-VWNXMTODSA-N 2 1 381.564 3.542 20 30 GHEDMP C=CCN1C(=O)CCC[C@@]12CCC[NH+](C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208942409 1035112093 /nfs/dbraw/zinc/11/20/93/1035112093.db2.gz QCHSPKKUTJKEOD-VWNXMTODSA-N 2 1 381.564 3.542 20 30 GHEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)[C@@H]2CC ZINC001208941976 1035112195 /nfs/dbraw/zinc/11/21/95/1035112195.db2.gz AYOJMEHMCAWXEY-ARNLJNQMSA-N 2 1 395.591 3.930 20 30 GHEDMP C=CCN1C(=O)CC[C@]12CCC[NH+](C[C@H]1CC[N@H+](Cc3ccccc3)C1)[C@@H]2CC ZINC001208941976 1035112197 /nfs/dbraw/zinc/11/21/97/1035112197.db2.gz AYOJMEHMCAWXEY-ARNLJNQMSA-N 2 1 395.591 3.930 20 30 GHEDMP C=CCN1C(=O)CC[C@]12CCC[NH+](C[C@H]1CC[N@@H+](Cc3ccccc3)C1)[C@@H]2CC ZINC001208941976 1035112200 /nfs/dbraw/zinc/11/22/00/1035112200.db2.gz AYOJMEHMCAWXEY-ARNLJNQMSA-N 2 1 395.591 3.930 20 30 GHEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)CC2 ZINC001208947534 1035117079 /nfs/dbraw/zinc/11/70/79/1035117079.db2.gz UCENMZLPVBLTIR-VWNXMTODSA-N 2 1 381.564 3.542 20 30 GHEDMP C=CCN1C(=O)CC[C@]12CCC[NH+](C[C@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208947534 1035117088 /nfs/dbraw/zinc/11/70/88/1035117088.db2.gz UCENMZLPVBLTIR-VWNXMTODSA-N 2 1 381.564 3.542 20 30 GHEDMP C=CCN1C(=O)CC[C@]12CCC[NH+](C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208947534 1035117093 /nfs/dbraw/zinc/11/70/93/1035117093.db2.gz UCENMZLPVBLTIR-VWNXMTODSA-N 2 1 381.564 3.542 20 30 GHEDMP N#Cc1ccc(O[C@H]2CCC[N@@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001208956574 1035130357 /nfs/dbraw/zinc/13/03/57/1035130357.db2.gz BPJQGTGNHICVFS-VWNXMTODSA-N 2 1 375.516 3.924 20 30 GHEDMP N#Cc1ccc(O[C@H]2CCC[NH+](C[C@H]3CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001208956574 1035130363 /nfs/dbraw/zinc/13/03/63/1035130363.db2.gz BPJQGTGNHICVFS-VWNXMTODSA-N 2 1 375.516 3.924 20 30 GHEDMP N#Cc1ccc(O[C@H]2CCC[NH+](C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001208956574 1035130371 /nfs/dbraw/zinc/13/03/71/1035130371.db2.gz BPJQGTGNHICVFS-VWNXMTODSA-N 2 1 375.516 3.924 20 30 GHEDMP C=CCOC(=O)N1CCC2(CCC[N@H+]([C@H]3CC[NH2+][C@H](CCCC)C3)C2)CC1 ZINC001246526767 1037458617 /nfs/dbraw/zinc/45/86/17/1037458617.db2.gz QXGIMMPYRKNDEF-UXHICEINSA-N 2 1 377.573 3.798 20 30 GHEDMP C=CCCCCCC[C@H](O)C[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001253237286 1039492904 /nfs/dbraw/zinc/49/29/04/1039492904.db2.gz JIJZEWINUIARBG-QFIPXVFZSA-N 2 1 388.600 3.615 20 30 GHEDMP C=CCCCCCC[C@@H](O)C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001253237875 1039495205 /nfs/dbraw/zinc/49/52/05/1039495205.db2.gz NZPFMOTWZGDSQH-ZLNRFVROSA-N 2 1 378.601 3.554 20 30 GHEDMP C=CCCCCCC[C@@H](O)C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COC)C1 ZINC001253237875 1039495209 /nfs/dbraw/zinc/49/52/09/1039495209.db2.gz NZPFMOTWZGDSQH-ZLNRFVROSA-N 2 1 378.601 3.554 20 30 GHEDMP C=CCCCCCC[C@@H](O)C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COC)C1 ZINC001253237875 1039495217 /nfs/dbraw/zinc/49/52/17/1039495217.db2.gz NZPFMOTWZGDSQH-ZLNRFVROSA-N 2 1 378.601 3.554 20 30 GHEDMP N#Cc1ccc(N2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)cc1 ZINC001255144103 1040855164 /nfs/dbraw/zinc/85/51/64/1040855164.db2.gz LZRHNTVIGKQGTI-LNWKWYTESA-N 2 1 386.543 3.876 20 30 GHEDMP N#Cc1ccc(N2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)cc1 ZINC001255144103 1040855178 /nfs/dbraw/zinc/85/51/78/1040855178.db2.gz LZRHNTVIGKQGTI-LNWKWYTESA-N 2 1 386.543 3.876 20 30 GHEDMP N#CCc1ccccc1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001235514989 1040970498 /nfs/dbraw/zinc/97/04/98/1040970498.db2.gz STGGPZNMLCWUCN-DQEYMECFSA-N 2 1 393.575 3.713 20 30 GHEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@H]1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001255404427 1040991583 /nfs/dbraw/zinc/99/15/83/1040991583.db2.gz SNDHNGMAECYJBU-KMDXXIMOSA-N 2 1 384.564 3.867 20 30 GHEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[NH+]([C@H]1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC001255404427 1040991584 /nfs/dbraw/zinc/99/15/84/1040991584.db2.gz SNDHNGMAECYJBU-KMDXXIMOSA-N 2 1 384.564 3.867 20 30 GHEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[NH+]([C@H]1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC001255404427 1040991585 /nfs/dbraw/zinc/99/15/85/1040991585.db2.gz SNDHNGMAECYJBU-KMDXXIMOSA-N 2 1 384.564 3.867 20 30 GHEDMP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[NH+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC001236314824 1041668642 /nfs/dbraw/zinc/66/86/42/1041668642.db2.gz OCSCXCSIBQNUDX-VGSWGCGISA-N 2 1 394.469 3.923 20 30 GHEDMP N#Cc1ccc2nc(C[N@H+]3CC[C@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)cn2c1 ZINC001237612288 1042280619 /nfs/dbraw/zinc/28/06/19/1042280619.db2.gz UYHVNGWDSBDWSR-FCHUYYIVSA-N 2 1 385.515 3.550 20 30 GHEDMP N#Cc1ccc2nc(C[NH+]3CC[C@H]4C[N@H+](Cc5ccccc5)CC[C@@H]4C3)cn2c1 ZINC001237612288 1042280629 /nfs/dbraw/zinc/28/06/29/1042280629.db2.gz UYHVNGWDSBDWSR-FCHUYYIVSA-N 2 1 385.515 3.550 20 30 GHEDMP N#Cc1ccc2nc(C[NH+]3CC[C@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)cn2c1 ZINC001237612288 1042280638 /nfs/dbraw/zinc/28/06/38/1042280638.db2.gz UYHVNGWDSBDWSR-FCHUYYIVSA-N 2 1 385.515 3.550 20 30 GHEDMP C[C@H]1C[C@@H]([NH+]2CCCN(c3ccc(C#N)cn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256553163 1043520618 /nfs/dbraw/zinc/52/06/18/1043520618.db2.gz GCXJHBQXFWDHAG-REWPJTCUSA-N 2 1 389.547 3.518 20 30 GHEDMP C[C@H]1C[C@@H]([NH+]2CCCN(c3ccc(C#N)cn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256553163 1043520622 /nfs/dbraw/zinc/52/06/22/1043520622.db2.gz GCXJHBQXFWDHAG-REWPJTCUSA-N 2 1 389.547 3.518 20 30 GHEDMP C[C@H]1C[C@@H]([N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)CC[NH+]1Cc1ccccc1 ZINC001256553163 1043520627 /nfs/dbraw/zinc/52/06/27/1043520627.db2.gz GCXJHBQXFWDHAG-REWPJTCUSA-N 2 1 389.547 3.518 20 30 GHEDMP C[C@H]1C[C@@H]([N@H+]2CCCN(c3ccc(C#N)cn3)CC2)CC[NH+]1Cc1ccccc1 ZINC001256553163 1043520632 /nfs/dbraw/zinc/52/06/32/1043520632.db2.gz GCXJHBQXFWDHAG-REWPJTCUSA-N 2 1 389.547 3.518 20 30 GHEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001308487598 1049987951 /nfs/dbraw/zinc/98/79/51/1049987951.db2.gz CWGXVNPZLLJORZ-XXBNENTESA-N 2 1 399.542 3.816 20 30 GHEDMP COc1ccccc1[C@@H](CNC(=[NH+]Cc1ccccc1)N(C)C)[NH+]1CCCC1 ZINC000849057325 1057569350 /nfs/dbraw/zinc/56/93/50/1057569350.db2.gz IZVFVHNIONHCFL-OAQYLSRUSA-N 2 1 380.536 3.540 20 30 GHEDMP Cc1[nH+]c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)ccc1CC#N ZINC001164839764 720716219 /nfs/dbraw/zinc/71/62/19/720716219.db2.gz MUIKIVJZZSGGRP-QFIPXVFZSA-N 2 1 390.531 3.716 20 30 GHEDMP Cc1[nH+]c(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)ccc1CC#N ZINC001164839764 720716223 /nfs/dbraw/zinc/71/62/23/720716223.db2.gz MUIKIVJZZSGGRP-QFIPXVFZSA-N 2 1 390.531 3.716 20 30 GHEDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)Nc1ccc(C#N)cc1 ZINC000548931785 836243546 /nfs/dbraw/zinc/24/35/46/836243546.db2.gz BASZSCMTMBUCPC-QFIPXVFZSA-N 2 1 390.531 3.777 20 30 GHEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)Nc1ccc(C#N)cc1 ZINC000548931785 836243553 /nfs/dbraw/zinc/24/35/53/836243553.db2.gz BASZSCMTMBUCPC-QFIPXVFZSA-N 2 1 390.531 3.777 20 30 GHEDMP C#CCC1(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCCCC1 ZINC000364384376 840127019 /nfs/dbraw/zinc/12/70/19/840127019.db2.gz OHZSGGRGASYKLB-UHFFFAOYSA-N 2 1 387.612 3.615 20 30 GHEDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)C(=O)NC1(C#N)CCCCC1 ZINC000604044417 843616012 /nfs/dbraw/zinc/61/60/12/843616012.db2.gz MSTYDIRKHLFWKB-PMACEKPBSA-N 2 1 396.579 3.739 20 30 GHEDMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000599661277 861491944 /nfs/dbraw/zinc/49/19/44/861491944.db2.gz SIXLPVBDRBPCHN-MRXNPFEDSA-N 2 1 382.508 3.679 20 30 GHEDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000599661277 861491952 /nfs/dbraw/zinc/49/19/52/861491952.db2.gz SIXLPVBDRBPCHN-MRXNPFEDSA-N 2 1 382.508 3.679 20 30 GHEDMP COc1cccc(NC(=[NH2+])NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000262006763 850841946 /nfs/dbraw/zinc/84/19/46/850841946.db2.gz IMQHZHUQMXTRRR-KUHUBIRLSA-N 2 1 390.890 3.907 20 30 GHEDMP O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000330288374 862724145 /nfs/dbraw/zinc/72/41/45/862724145.db2.gz DAUAEMMQPDXSCJ-FCHUYYIVSA-N 2 1 385.552 3.507 20 30 GHEDMP O=C(NCc1ccccc1C[NH+]1CC[C@H](O)C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000330288374 862724158 /nfs/dbraw/zinc/72/41/58/862724158.db2.gz DAUAEMMQPDXSCJ-FCHUYYIVSA-N 2 1 385.552 3.507 20 30 GHEDMP O=C(NCc1ccccc1C[NH+]1CC[C@H](O)C1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000330288374 862724164 /nfs/dbraw/zinc/72/41/64/862724164.db2.gz DAUAEMMQPDXSCJ-FCHUYYIVSA-N 2 1 385.552 3.507 20 30 GHEDMP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)c2cccs2)CC1 ZINC000594493294 858190249 /nfs/dbraw/zinc/19/02/49/858190249.db2.gz LCLOSANYQGEYSY-FQEVSTJZSA-N 2 1 382.577 3.628 20 30 GHEDMP C=CCOc1ccc(C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C(C)(C)C)cc1 ZINC000474159909 859373806 /nfs/dbraw/zinc/37/38/06/859373806.db2.gz KVLTWELDCQLCMI-UHFFFAOYSA-N 2 1 399.579 3.595 20 30 GHEDMP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000262273630 860923886 /nfs/dbraw/zinc/92/38/86/860923886.db2.gz UIUQEOPGRFPYKB-SLFFLAALSA-N 2 1 380.540 3.600 20 30 GHEDMP C=CCOc1c(Cl)cc(C[NH2+]CCCN2CCCO[C@@H](C)C2)cc1OC ZINC000623507729 861125264 /nfs/dbraw/zinc/12/52/64/861125264.db2.gz XSYCCCKEEPTICN-INIZCTEOSA-N 2 1 382.932 3.504 20 30 GHEDMP C=CCOc1c(Cl)cc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1OC ZINC000623507729 861125267 /nfs/dbraw/zinc/12/52/67/861125267.db2.gz XSYCCCKEEPTICN-INIZCTEOSA-N 2 1 382.932 3.504 20 30 GHEDMP C=CCOc1c(Cl)cc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1OC ZINC000623507729 861125269 /nfs/dbraw/zinc/12/52/69/861125269.db2.gz XSYCCCKEEPTICN-INIZCTEOSA-N 2 1 382.932 3.504 20 30 GHEDMP N#Cc1ccc(N2CCC[C@H]([NH2+]C3CC[NH+](Cc4ccccc4)CC3)C2)c(F)c1 ZINC000525182615 870124100 /nfs/dbraw/zinc/12/41/00/870124100.db2.gz CCZSOPQFXXLNDD-QFIPXVFZSA-N 2 1 392.522 3.920 20 30 GHEDMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1)CC1CC1 ZINC000540050709 870306213 /nfs/dbraw/zinc/30/62/13/870306213.db2.gz ZNSNYWJLCAGMOY-IBGZPJMESA-N 2 1 388.600 3.552 20 30 GHEDMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cc(C#N)ccc2OC)CC1 ZINC000181630591 871291484 /nfs/dbraw/zinc/29/14/84/871291484.db2.gz YGHRZETXABVGTG-QGZVFWFLSA-N 2 1 396.510 3.699 20 30 GHEDMP C[N@@H+](CCCOc1ccc(C#N)cc1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000771466127 875298053 /nfs/dbraw/zinc/29/80/53/875298053.db2.gz ZQHHKTITOVBFFM-UHFFFAOYSA-N 2 1 378.520 3.961 20 30 GHEDMP C#CCCCOc1cccnc1N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000853421410 879013721 /nfs/dbraw/zinc/01/37/21/879013721.db2.gz YPZNCGVTHXAYMF-UHFFFAOYSA-N 2 1 398.595 3.506 20 30 GHEDMP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000538393566 879412626 /nfs/dbraw/zinc/41/26/26/879412626.db2.gz OUYOKWJCOBIBKX-CPJSRVTESA-N 2 1 388.559 3.948 20 30 GHEDMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000538393566 879412638 /nfs/dbraw/zinc/41/26/38/879412638.db2.gz OUYOKWJCOBIBKX-CPJSRVTESA-N 2 1 388.559 3.948 20 30 GHEDMP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000538393565 879412869 /nfs/dbraw/zinc/41/28/69/879412869.db2.gz OUYOKWJCOBIBKX-CJFMBICVSA-N 2 1 388.559 3.948 20 30 GHEDMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000538393565 879412882 /nfs/dbraw/zinc/41/28/82/879412882.db2.gz OUYOKWJCOBIBKX-CJFMBICVSA-N 2 1 388.559 3.948 20 30 GHEDMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000532649579 886900320 /nfs/dbraw/zinc/90/03/20/886900320.db2.gz LCXFANQEMFHFOH-SIKLNZKXSA-N 2 1 390.531 3.872 20 30 GHEDMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000532649579 886900326 /nfs/dbraw/zinc/90/03/26/886900326.db2.gz LCXFANQEMFHFOH-SIKLNZKXSA-N 2 1 390.531 3.872 20 30 GHEDMP C[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccccc2C#N)CC[NH+]1Cc1ccccc1 ZINC000532649579 886900336 /nfs/dbraw/zinc/90/03/36/886900336.db2.gz LCXFANQEMFHFOH-SIKLNZKXSA-N 2 1 390.531 3.872 20 30 GHEDMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2C#N)CC[NH+]1Cc1ccccc1 ZINC000532649579 886900344 /nfs/dbraw/zinc/90/03/44/886900344.db2.gz LCXFANQEMFHFOH-SIKLNZKXSA-N 2 1 390.531 3.872 20 30 GHEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000815652492 894095898 /nfs/dbraw/zinc/09/58/98/894095898.db2.gz FLBQJEOERWHSTL-CYBMUJFWSA-N 2 1 389.849 3.621 20 30 GHEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000815652492 894095912 /nfs/dbraw/zinc/09/59/12/894095912.db2.gz FLBQJEOERWHSTL-CYBMUJFWSA-N 2 1 389.849 3.621 20 30 GHEDMP CO[C@@H]1CC[NH+](Cc2cc(C#N)cc(C[N@@H+]3CC[C@H](OC)C[C@@H]3C)c2)[C@H](C)C1 ZINC000878554923 894380654 /nfs/dbraw/zinc/38/06/54/894380654.db2.gz MQDSYNZLIQMJDB-SGNKAXLRSA-N 2 1 385.552 3.557 20 30 GHEDMP CO[C@@H]1CC[N@@H+](Cc2cc(C#N)cc(C[NH+]3CC[C@H](OC)C[C@@H]3C)c2)[C@H](C)C1 ZINC000878554923 894380674 /nfs/dbraw/zinc/38/06/74/894380674.db2.gz MQDSYNZLIQMJDB-SGNKAXLRSA-N 2 1 385.552 3.557 20 30 GHEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000564844561 895278577 /nfs/dbraw/zinc/27/85/77/895278577.db2.gz JEKYTMQSVNEGOP-DQEYMECFSA-N 2 1 394.559 3.702 20 30 GHEDMP N#Cc1cncc(C[NH+]2CCC(OC3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC001144084942 901053444 /nfs/dbraw/zinc/05/34/44/901053444.db2.gz UAHAYRDKKMKVFX-UHFFFAOYSA-N 2 1 390.531 3.599 20 30 GHEDMP C=CCN1CC[C@@]2(C[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C[C@@H]2c2ccccc2)C1=O ZINC001172115372 905369183 /nfs/dbraw/zinc/36/91/83/905369183.db2.gz AZPVUCQTRVWAHZ-JRYGSTJPSA-N 2 1 393.575 3.506 20 30 GHEDMP C=CCN1CC[C@@]2(C[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@@H]2c2ccccc2)C1=O ZINC001172115372 905369197 /nfs/dbraw/zinc/36/91/97/905369197.db2.gz AZPVUCQTRVWAHZ-JRYGSTJPSA-N 2 1 393.575 3.506 20 30 GHEDMP C=CCN1CC[C@@]2(C[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)[NH+]4C)C[C@@H]2c2ccccc2)C1=O ZINC001172115372 905369213 /nfs/dbraw/zinc/36/92/13/905369213.db2.gz AZPVUCQTRVWAHZ-JRYGSTJPSA-N 2 1 393.575 3.506 20 30 GHEDMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)cc1 ZINC000304473345 915516639 /nfs/dbraw/zinc/51/66/39/915516639.db2.gz FZUPUOYTYGJXKV-AVRDEDQJSA-N 2 1 392.547 3.989 20 30 GHEDMP CC[NH+](CC)[C@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)c1cccc(OC)c1 ZINC000304479035 915516987 /nfs/dbraw/zinc/51/69/87/915516987.db2.gz IUICZDNHELXXDL-NHCUHLMSSA-N 2 1 396.535 3.506 20 30 GHEDMP N#Cc1ccsc1NC(=O)CN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000370652072 924231341 /nfs/dbraw/zinc/23/13/41/924231341.db2.gz STGDUCZVLMXYEF-UHFFFAOYSA-N 2 1 394.544 3.546 20 30 GHEDMP C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000924680712 931473099 /nfs/dbraw/zinc/47/30/99/931473099.db2.gz HZIAJQOYBAKSDA-QRVBRYPASA-N 2 1 390.572 3.522 20 30 GHEDMP C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000924680712 931473103 /nfs/dbraw/zinc/47/31/03/931473103.db2.gz HZIAJQOYBAKSDA-QRVBRYPASA-N 2 1 390.572 3.522 20 30 GHEDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000924753398 931524794 /nfs/dbraw/zinc/52/47/94/931524794.db2.gz PFZDPJYKBQRIEL-OALUTQOASA-N 2 1 392.588 3.627 20 30 GHEDMP N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)nc1 ZINC000562707134 1018557693 /nfs/dbraw/zinc/55/76/93/1018557693.db2.gz IIFDLONWLPGXQI-QFIPXVFZSA-N 2 1 376.504 3.592 20 30 GHEDMP N#Cc1c(N)sc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)c1Cl ZINC001141111000 1023525028 /nfs/dbraw/zinc/52/50/28/1023525028.db2.gz BTFJVGYKHGZUKN-UHFFFAOYSA-N 2 1 390.940 3.936 20 30 GHEDMP C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1ccc(-n3cc[nH+]c3C)cc1)CCO2 ZINC001138548399 1024994742 /nfs/dbraw/zinc/99/47/42/1024994742.db2.gz CVLIUIXCSLRNRO-JTHBVZDNSA-N 2 1 381.520 3.754 20 30 GHEDMP C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1ccc(-n3cc[nH+]c3C)cc1)CCO2 ZINC001138548399 1024994749 /nfs/dbraw/zinc/99/47/49/1024994749.db2.gz CVLIUIXCSLRNRO-JTHBVZDNSA-N 2 1 381.520 3.754 20 30 GHEDMP C/C(=N\O)c1ccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)cc1 ZINC001162942989 1025978746 /nfs/dbraw/zinc/97/87/46/1025978746.db2.gz ZZPIBBVUGLEDBN-YXMXGMKXSA-N 2 1 392.547 3.799 20 30 GHEDMP N#Cc1ccc(C[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)cc1 ZINC001203903456 1027696200 /nfs/dbraw/zinc/69/62/00/1027696200.db2.gz UWLGVCPPLIGWJZ-ZEQRLZLVSA-N 2 1 379.548 3.519 20 30 GHEDMP N#Cc1ccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)cc1 ZINC001203903456 1027696212 /nfs/dbraw/zinc/69/62/12/1027696212.db2.gz UWLGVCPPLIGWJZ-ZEQRLZLVSA-N 2 1 379.548 3.519 20 30 GHEDMP N#Cc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)cc1 ZINC001203903456 1027696220 /nfs/dbraw/zinc/69/62/20/1027696220.db2.gz UWLGVCPPLIGWJZ-ZEQRLZLVSA-N 2 1 379.548 3.519 20 30 GHEDMP N#Cc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)cc1 ZINC001203903456 1027696231 /nfs/dbraw/zinc/69/62/31/1027696231.db2.gz UWLGVCPPLIGWJZ-ZEQRLZLVSA-N 2 1 379.548 3.519 20 30 GHEDMP COC[C@@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+](Cc1ccc(C#N)cc1)CC2 ZINC001203902868 1027696284 /nfs/dbraw/zinc/69/62/84/1027696284.db2.gz MSBPDWZFEYHTEG-FQEVSTJZSA-N 2 1 396.560 3.518 20 30 GHEDMP COC[C@@H]1CC2(C[N@H+]1Cc1nccs1)CC[NH+](Cc1ccc(C#N)cc1)CC2 ZINC001203902868 1027696299 /nfs/dbraw/zinc/69/62/99/1027696299.db2.gz MSBPDWZFEYHTEG-FQEVSTJZSA-N 2 1 396.560 3.518 20 30 GHEDMP CSc1nc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)ccc1C#N ZINC001141937336 1027706859 /nfs/dbraw/zinc/70/68/59/1027706859.db2.gz WJJLXPSPDMHNMU-UHFFFAOYSA-N 2 1 393.560 3.558 20 30 GHEDMP CSc1nc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)ccc1C#N ZINC001141937336 1027706867 /nfs/dbraw/zinc/70/68/67/1027706867.db2.gz WJJLXPSPDMHNMU-UHFFFAOYSA-N 2 1 393.560 3.558 20 30 GHEDMP C#C[C@@H](COc1cccc(Cl)c1)Oc1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001218439091 1030937029 /nfs/dbraw/zinc/93/70/29/1030937029.db2.gz QRSYRYKWRVYTKL-FQEVSTJZSA-N 2 1 384.907 3.723 20 30 GHEDMP C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](CC1CC[NH+](Cc3ccccc3)CC1)CCO2 ZINC001207290698 1034242690 /nfs/dbraw/zinc/24/26/90/1034242690.db2.gz HKBZEJXCTOIRFW-LOSJGSFVSA-N 2 1 398.591 3.972 20 30 GHEDMP C#Cc1cccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4cccs4)CO3)CC2)c1 ZINC001231654805 1034811266 /nfs/dbraw/zinc/81/12/66/1034811266.db2.gz FEKJFPSAHZXYQY-NRFANRHFSA-N 2 1 380.557 3.985 20 30 GHEDMP C=CCOC[C@@H]1CCC[C@@]12C[N@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)CCO2 ZINC001208952413 1035125453 /nfs/dbraw/zinc/12/54/53/1035125453.db2.gz SBZILGPEOIFVRX-TZRRMPRUSA-N 2 1 384.564 3.582 20 30 GHEDMP C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)CCO2 ZINC001208952413 1035125460 /nfs/dbraw/zinc/12/54/60/1035125460.db2.gz SBZILGPEOIFVRX-TZRRMPRUSA-N 2 1 384.564 3.582 20 30 GHEDMP C=CCOC[C@@H]1CCC[C@@]12C[NH+](C[C@@H]1CC[N@H+](Cc3ccccc3)C1)CCO2 ZINC001208952413 1035125465 /nfs/dbraw/zinc/12/54/65/1035125465.db2.gz SBZILGPEOIFVRX-TZRRMPRUSA-N 2 1 384.564 3.582 20 30 GHEDMP C=CCOC[C@@H]1CCC[C@@]12C[NH+](C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CCO2 ZINC001208952413 1035125470 /nfs/dbraw/zinc/12/54/70/1035125470.db2.gz SBZILGPEOIFVRX-TZRRMPRUSA-N 2 1 384.564 3.582 20 30 GHEDMP C=CCN(CC[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1)C(=O)OCC ZINC001209019158 1035152184 /nfs/dbraw/zinc/15/21/84/1035152184.db2.gz LDAFJQPTKVEFAE-UHFFFAOYSA-N 2 1 391.581 3.681 20 30 GHEDMP CCCCCCCCCCCC[C@@H](O)C[N@@H+]1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001246034551 1037152312 /nfs/dbraw/zinc/15/23/12/1037152312.db2.gz QGDPWVIQACRPSK-PKTZIBPZSA-N 2 1 398.632 3.739 20 30 GHEDMP CCCCCCCCCCCC[C@@H](O)C[N@H+]1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001246034551 1037152325 /nfs/dbraw/zinc/15/23/25/1037152325.db2.gz QGDPWVIQACRPSK-PKTZIBPZSA-N 2 1 398.632 3.739 20 30 GHEDMP N#Cc1ccc(O[C@@H]2CCC[N@H+]([C@H]3CC[NH2+][C@@H](Cc4ccccc4)C3)C2)cc1 ZINC001246970971 1037793896 /nfs/dbraw/zinc/79/38/96/1037793896.db2.gz XLKNFZJQYDEVTB-WPFOTENUSA-N 2 1 375.516 3.765 20 30 GHEDMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(C#N)s1)CC2 ZINC001232843501 1038594988 /nfs/dbraw/zinc/59/49/88/1038594988.db2.gz ZCBMRIQURCGBPO-INIZCTEOSA-N 2 1 387.574 3.937 20 30 GHEDMP C=CCCCCCC[C@H](O)C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001253237873 1039494736 /nfs/dbraw/zinc/49/47/36/1039494736.db2.gz NZPFMOTWZGDSQH-VABKMULXSA-N 2 1 378.601 3.554 20 30 GHEDMP C=CCCCCCC[C@H](O)C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COC)C1 ZINC001253237873 1039494743 /nfs/dbraw/zinc/49/47/43/1039494743.db2.gz NZPFMOTWZGDSQH-VABKMULXSA-N 2 1 378.601 3.554 20 30 GHEDMP C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COC)C1 ZINC001253237873 1039494747 /nfs/dbraw/zinc/49/47/47/1039494747.db2.gz NZPFMOTWZGDSQH-VABKMULXSA-N 2 1 378.601 3.554 20 30 GHEDMP N#Cc1cc(Br)ccc1C[NH+]1CCC2(CC1)C[NH2+]Cc1ccccc12 ZINC001235094254 1040583254 /nfs/dbraw/zinc/58/32/54/1040583254.db2.gz NRCQTSQRAXDYIJ-UHFFFAOYSA-N 2 1 396.332 3.958 20 30 GHEDMP C#CCOc1ccc(C[N@@H+](Cc2ccccc2)C2CCC([NH3+])CC2)cc1OC ZINC001236227679 1041633563 /nfs/dbraw/zinc/63/35/63/1041633563.db2.gz LJSRYAWLMDXAHW-UHFFFAOYSA-N 2 1 378.516 3.979 20 30 GHEDMP C#CCOc1ccc(C[N@H+](Cc2ccc(OC)cc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236544108 1041757226 /nfs/dbraw/zinc/75/72/26/1041757226.db2.gz BFTXFXNVFDPWFE-HZCBDIJESA-N 2 1 378.516 3.979 20 30 GHEDMP C=CCOC[C@@H]1c2c(ncn2C)CCN1Cc1ccc2c(c1)C(C(C)C)=NCC2 ZINC001237884058 1042409166 /nfs/dbraw/zinc/40/91/66/1042409166.db2.gz YRDBOJRGSIVZCE-JOCHJYFZSA-N 2 1 392.547 3.723 20 30 GHEDMP COc1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)ccc1C#N ZINC001238417772 1042589452 /nfs/dbraw/zinc/58/94/52/1042589452.db2.gz ZFWBIWXKKNHKAG-GOTSBHOMSA-N 2 1 375.516 3.911 20 30 GHEDMP COc1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)ccc1C#N ZINC001238417772 1042589455 /nfs/dbraw/zinc/58/94/55/1042589455.db2.gz ZFWBIWXKKNHKAG-GOTSBHOMSA-N 2 1 375.516 3.911 20 30 GHEDMP COc1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)ccc1C#N ZINC001238417772 1042589459 /nfs/dbraw/zinc/58/94/59/1042589459.db2.gz ZFWBIWXKKNHKAG-GOTSBHOMSA-N 2 1 375.516 3.911 20 30 GHEDMP C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256521614 1043445014 /nfs/dbraw/zinc/44/50/14/1043445014.db2.gz ARGOIONPGFWCST-WWPVKYPJSA-N 2 1 391.559 3.534 20 30 GHEDMP C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC001256521614 1043445023 /nfs/dbraw/zinc/44/50/23/1043445023.db2.gz ARGOIONPGFWCST-WWPVKYPJSA-N 2 1 391.559 3.534 20 30 GHEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@H+](C1CCN(CCc3ccccc3)CC1)C2 ZINC001258142247 1044429226 /nfs/dbraw/zinc/42/92/26/1044429226.db2.gz DMGDYHMZXSDUPY-LOSJGSFVSA-N 2 1 398.591 3.767 20 30 GHEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258142247 1044429232 /nfs/dbraw/zinc/42/92/32/1044429232.db2.gz DMGDYHMZXSDUPY-LOSJGSFVSA-N 2 1 398.591 3.767 20 30 GHEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@H+](C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258142247 1044429234 /nfs/dbraw/zinc/42/92/34/1044429234.db2.gz DMGDYHMZXSDUPY-LOSJGSFVSA-N 2 1 398.591 3.767 20 30 GHEDMP C[NH+]1CCC2(CC1)C[N@H+](Cc1sc(N)c(C#N)c1Cl)Cc1ccccc12 ZINC001279370373 1047783678 /nfs/dbraw/zinc/78/36/78/1047783678.db2.gz NSUUYQJYOFZGDE-UHFFFAOYSA-N 2 1 386.952 3.835 20 30 GHEDMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1sc(N)c(C#N)c1Cl)Cc1ccccc12 ZINC001279370373 1047783679 /nfs/dbraw/zinc/78/36/79/1047783679.db2.gz NSUUYQJYOFZGDE-UHFFFAOYSA-N 2 1 386.952 3.835 20 30 GHEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](CCC)C2)CC1 ZINC001311892157 1052461566 /nfs/dbraw/zinc/46/15/66/1052461566.db2.gz RWHMCMJWYCPDQK-HSZRJFAPSA-N 2 1 398.595 3.723 20 30 GHEDMP