smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1CCCC[N@@H+]1CCCCNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160662952 931269785 /nfs/dbraw/zinc/26/97/85/931269785.db2.gz GRWMWZMPQLQLIY-CQSZACIVSA-N 2 0 372.435 3.966 20 30 FHEDRP CC[N@H+](CCC1CC[NH+](CCOc2cccc(C#N)c2)CC1)CC1CC1 ZINC000538950010 934971216 /nfs/dbraw/zinc/97/12/16/934971216.db2.gz RSIMILFATNLFAM-UHFFFAOYSA-N 2 0 355.526 3.771 20 30 FHEDRP CN1CCC([NH+]2CCC(CC[N@H+](C)CCCCC(C)(C)C#N)CC2)CC1 ZINC000375718514 935850573 /nfs/dbraw/zinc/85/05/73/935850573.db2.gz JFBWGBYNCWUYCT-UHFFFAOYSA-N 2 0 362.606 3.835 20 30 FHEDRP C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000658034074 939020113 /nfs/dbraw/zinc/02/01/13/939020113.db2.gz GAQIIZXOVCGGQV-UNMCSNQZSA-N 2 0 369.553 3.608 20 30 FHEDRP C[C@@H]1C[C@@H](CC[NH2+]Cc2cnc3ccc(C#N)cn23)C[N@@H+]1Cc1ccccc1 ZINC000513505908 941968503 /nfs/dbraw/zinc/96/85/03/941968503.db2.gz MYSABWAOBYSMLH-UYAOXDASSA-N 2 0 373.504 3.596 20 30 FHEDRP C[N@@H+]1CC[C@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)[C@@H]2CCC[C@@H]21 ZINC000513713344 942443110 /nfs/dbraw/zinc/44/31/10/942443110.db2.gz NSVZELGWDFDNNJ-IMPXWGQXSA-N 2 0 353.510 3.711 20 30 FHEDRP C=CCOc1ccccc1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422914007 943329024 /nfs/dbraw/zinc/32/90/24/943329024.db2.gz ZPUNNTBXXCIJME-KNQAVFIVSA-N 2 0 350.462 3.597 20 30 FHEDRP CC[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000423572152 943559973 /nfs/dbraw/zinc/55/99/73/943559973.db2.gz OAWGFCHRXCMASC-JOCHJYFZSA-N 2 0 362.521 3.592 20 30 FHEDRP C[N@@H+]1CC[C@@H](CNC(=[NH2+])NC2CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000261938312 944363219 /nfs/dbraw/zinc/36/32/19/944363219.db2.gz FZJGUZPFKWJBCT-KSSFIOAISA-N 2 0 366.912 3.709 20 30 FHEDRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCCC1(C#N)CCOCC1 ZINC000281354407 945602861 /nfs/dbraw/zinc/60/28/61/945602861.db2.gz NIUYMDPHBPCJFJ-XVAYZXCPSA-N 2 0 369.553 3.833 20 30 FHEDRP COc1cc(C[NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000440608732 947357379 /nfs/dbraw/zinc/35/73/79/947357379.db2.gz FNUKLZLOFMNBEQ-RXVVDRJESA-N 2 0 363.505 3.957 20 30 FHEDRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2OC)CC1 ZINC001167839487 948316082 /nfs/dbraw/zinc/31/60/82/948316082.db2.gz YGGZXCWVONVCJM-GOSISDBHSA-N 2 0 373.541 3.921 20 30 FHEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000602529323 567988159 /nfs/dbraw/zinc/98/81/59/567988159.db2.gz AVZPHEORALBURH-QGZVFWFLSA-N 2 0 361.555 3.649 20 30 FHEDRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H]2CCCCc3cc(C#N)ccc32)C[C@H](C)O1 ZINC000481665170 568083693 /nfs/dbraw/zinc/08/36/93/568083693.db2.gz XIKPLECXOYXHPC-SVMVAKDDSA-N 2 0 355.526 3.805 20 30 FHEDRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3cc(C#N)cs3)CC2)cc1 ZINC000177692794 930121515 /nfs/dbraw/zinc/12/15/15/930121515.db2.gz DAJDPOJSCXSQGO-UHFFFAOYSA-N 2 0 355.507 3.630 20 30 FHEDRP C[C@@H]1CCCC[N@@H+]1CCCNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160614590 931069664 /nfs/dbraw/zinc/06/96/64/931069664.db2.gz DTSDTQNPMJNDHE-CYBMUJFWSA-N 2 0 358.408 3.576 20 30 FHEDRP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc(C#N)cc1 ZINC000278618475 938590116 /nfs/dbraw/zinc/59/01/16/938590116.db2.gz GBYLPWRHSPVOQJ-HSZRJFAPSA-N 2 0 363.505 3.756 20 30 FHEDRP N#Cc1c(F)ccc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c1Cl ZINC000365481855 940172345 /nfs/dbraw/zinc/17/23/45/940172345.db2.gz STXFRQGGUKXWBX-UHFFFAOYSA-N 2 0 358.848 3.752 20 30 FHEDRP C[C@H](CC[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)[N@H+](C)Cc1ccccc1 ZINC000177562165 940278017 /nfs/dbraw/zinc/27/80/17/940278017.db2.gz HYWNTBHITMZFJU-MOPGFXCFSA-N 2 0 351.494 3.978 20 30 FHEDRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180053135 940329407 /nfs/dbraw/zinc/32/94/07/940329407.db2.gz RYDYEHYBSRQMOA-GOSISDBHSA-N 2 0 365.525 3.560 20 30 FHEDRP C[NH+]1CCC2(CC1)C[C@H]([NH2+]CCc1cccc(C#N)c1)c1ccccc1O2 ZINC000366516012 942487215 /nfs/dbraw/zinc/48/72/15/942487215.db2.gz FFYZFDBBIGXMRI-NRFANRHFSA-N 2 0 361.489 3.679 20 30 FHEDRP CC1(C#N)CC[NH+](Cc2ccc(C[NH+]3CCC(C)(C#N)CC3)cc2)CC1 ZINC000272551773 943175800 /nfs/dbraw/zinc/17/58/00/943175800.db2.gz KSYBREBPWYDVAV-UHFFFAOYSA-N 2 0 350.510 3.938 20 30 FHEDRP C#CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000236694759 943627614 /nfs/dbraw/zinc/62/76/14/943627614.db2.gz JRKQJUOMUAMHIB-NOTZXAQLSA-N 2 0 360.501 3.984 20 30 FHEDRP C[N@@H+]1CCN(CCC[NH2+][C@H]2CCc3ccc(C#N)cc32)[C@H](c2ccccc2)C1 ZINC000584811004 943650274 /nfs/dbraw/zinc/65/02/74/943650274.db2.gz XKLBDRSHMOZIMJ-ZEQRLZLVSA-N 2 0 374.532 3.514 20 30 FHEDRP C[N@@H+]1CC[C@H](CNC(=[NH2+])NC2CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000261938308 944362484 /nfs/dbraw/zinc/36/24/84/944362484.db2.gz FZJGUZPFKWJBCT-KDOFPFPSSA-N 2 0 366.912 3.709 20 30 FHEDRP CN(C)C(=[NH+]C[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)N(C)C ZINC000262520086 946600867 /nfs/dbraw/zinc/60/08/67/946600867.db2.gz IERGEMONFQLRKI-RDJZCZTQSA-N 2 0 370.463 3.568 20 30 FHEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000602574561 567996478 /nfs/dbraw/zinc/99/64/78/567996478.db2.gz BKDXJAQSBXTRJS-SJBKTWHCSA-N 2 0 369.553 3.976 20 30 FHEDRP C=C(C)C[NH+]1CCC(NCc2ccc(Br)cc2OC)CC1 ZINC000180935774 934419647 /nfs/dbraw/zinc/41/96/47/934419647.db2.gz PMDXHZPYDYXAJP-UHFFFAOYSA-N 2 0 353.304 3.588 20 30 FHEDRP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1OCCCC#N ZINC000105456805 935087095 /nfs/dbraw/zinc/08/70/95/935087095.db2.gz TULKZHJLZRBZSU-IBGZPJMESA-N 2 0 359.514 3.588 20 30 FHEDRP CC[N@H+](C)Cc1cccc(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC000582802144 936142823 /nfs/dbraw/zinc/14/28/23/936142823.db2.gz ZXEOFDQIOGIALM-UHFFFAOYSA-N 2 0 362.521 3.769 20 30 FHEDRP N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000582295557 940664291 /nfs/dbraw/zinc/66/42/91/940664291.db2.gz YOUWZKFSHIYUEH-PTAFHAGTSA-N 2 0 368.525 3.544 20 30 FHEDRP CC[C@H](c1ccncc1)[N@H+](C)CC#CC[NH+](C)[C@@H](CC)c1ccncc1 ZINC000472565991 940833060 /nfs/dbraw/zinc/83/30/60/940833060.db2.gz CNIOMZXABPAWIM-SZPZYZBQSA-N 2 0 350.510 3.946 20 30 FHEDRP C=CCC[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000414309457 940932525 /nfs/dbraw/zinc/93/25/25/940932525.db2.gz RRCJPOQGUDMPJH-FQEVSTJZSA-N 2 0 354.494 3.904 20 30 FHEDRP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000728712156 941983353 /nfs/dbraw/zinc/98/33/53/941983353.db2.gz WLGMJLZZMPUSPI-DENIHFKCSA-N 2 0 363.505 3.979 20 30 FHEDRP CC[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccc(C#N)cc1 ZINC000290354734 942040065 /nfs/dbraw/zinc/04/00/65/942040065.db2.gz QIAZRLPGJGDIKJ-FQEVSTJZSA-N 2 0 352.482 3.525 20 30 FHEDRP C=CCCc1ccccc1NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000505052368 944013267 /nfs/dbraw/zinc/01/32/67/944013267.db2.gz RSMRHRUHRVDSPF-HXUWFJFHSA-N 2 0 372.557 3.685 20 30 FHEDRP C[NH+](C)CC1CC[NH+](Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000506859950 944691293 /nfs/dbraw/zinc/69/12/93/944691293.db2.gz GPCFCCXLXVKOHY-UHFFFAOYSA-N 2 0 363.505 3.911 20 30 FHEDRP C[C@H]1C[NH+](CCCC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C[C@H](C)O1 ZINC000507659003 945430665 /nfs/dbraw/zinc/43/06/65/945430665.db2.gz IRLHJZZPLWGVII-LHAJZYKRSA-N 2 0 369.553 3.870 20 30 FHEDRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000066905425 946583226 /nfs/dbraw/zinc/58/32/26/946583226.db2.gz FWXNLYRDOCYDAY-FQEVSTJZSA-N 2 0 363.505 3.959 20 30 FHEDRP C=CCOc1cccc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000512177590 948666407 /nfs/dbraw/zinc/66/64/07/948666407.db2.gz FPTUUBBRLGDWNF-KDURUIRLSA-N 2 0 358.526 3.573 20 30 FHEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000602574560 567996496 /nfs/dbraw/zinc/99/64/96/567996496.db2.gz BKDXJAQSBXTRJS-RZUBCFFCSA-N 2 0 369.553 3.976 20 30 FHEDRP N#CCC[C@H](C#N)CN1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000602863573 568007674 /nfs/dbraw/zinc/00/76/74/568007674.db2.gz OJAKEABJWHOAMN-OAQYLSRUSA-N 2 0 350.510 3.808 20 30 FHEDRP N#CC1CCC([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CC1 ZINC000602678014 568009482 /nfs/dbraw/zinc/00/94/82/568009482.db2.gz ZQHURQYKOAESHH-IRQNMHNUSA-N 2 0 367.537 3.587 20 30 FHEDRP N#Cc1cccc(C2([NH2+]Cc3ccc(OCC[NH+]4CCCC4)cc3)CC2)c1 ZINC000610972048 934670255 /nfs/dbraw/zinc/67/02/55/934670255.db2.gz YTSJMBMQLUUATR-UHFFFAOYSA-N 2 0 361.489 3.812 20 30 FHEDRP COc1ccc(NC(=[NH2+])NCc2ccccc2C[NH+]2CCC(C)CC2)cc1 ZINC000104162682 935004095 /nfs/dbraw/zinc/00/40/95/935004095.db2.gz QOGUQCLTYXCCQF-UHFFFAOYSA-N 2 0 366.509 3.854 20 30 FHEDRP C[N@H+](Cc1ccc(F)c(C#N)c1Cl)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377700029 941910867 /nfs/dbraw/zinc/91/08/67/941910867.db2.gz RRAIQLIOZYDJRU-UHFFFAOYSA-N 2 0 358.848 3.847 20 30 FHEDRP C[C@H]1C[C@H](CC[NH2+]Cc2cnc3ccc(C#N)cn23)C[N@@H+]1Cc1ccccc1 ZINC000513505905 941968436 /nfs/dbraw/zinc/96/84/36/941968436.db2.gz MYSABWAOBYSMLH-ICSRJNTNSA-N 2 0 373.504 3.596 20 30 FHEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000728712158 941983491 /nfs/dbraw/zinc/98/34/91/941983491.db2.gz WLGMJLZZMPUSPI-SIKLNZKXSA-N 2 0 363.505 3.979 20 30 FHEDRP C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3ccc(C#N)c(F)c3)cc2)C[C@H](C)O1 ZINC000421334831 942508731 /nfs/dbraw/zinc/50/87/31/942508731.db2.gz QUGYYKBJSGSFPQ-IRXDYDNUSA-N 2 0 367.468 3.596 20 30 FHEDRP N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@@H]2[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)O1 ZINC000378459838 942792983 /nfs/dbraw/zinc/79/29/83/942792983.db2.gz ZVGPTACZICIPTN-YUMYIRISSA-N 2 0 353.510 3.612 20 30 FHEDRP CC[NH+]1CCN(c2ccccc2C[N@H+](Cc2ccc(C#N)cc2)C2CC2)CC1 ZINC000506560291 944569439 /nfs/dbraw/zinc/56/94/39/944569439.db2.gz IIALIGCSASCMLM-UHFFFAOYSA-N 2 0 374.532 3.865 20 30 FHEDRP C[N@H+](CCCC1(C#N)CCOCC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000281895613 945908124 /nfs/dbraw/zinc/90/81/24/945908124.db2.gz FDXODVUBBIIEKM-OAQYLSRUSA-N 2 0 355.526 3.541 20 30 FHEDRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000066905646 946494262 /nfs/dbraw/zinc/49/42/62/946494262.db2.gz GOKKDAUOLZKQDU-HXUWFJFHSA-N 2 0 363.505 3.957 20 30 FHEDRP C=CCC1([NH2+]CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)CCCC1 ZINC000661849774 946756258 /nfs/dbraw/zinc/75/62/58/946756258.db2.gz ZVPSOPULTUNPKU-UHFFFAOYSA-N 2 0 369.553 3.554 20 30 FHEDRP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(C#N)cc1 ZINC000278906438 948063265 /nfs/dbraw/zinc/06/32/65/948063265.db2.gz ZTDXWXKPBAONPS-QHCPKHFHSA-N 2 0 363.505 3.756 20 30 FHEDRP N#CCCC[C@@H]([NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000601966661 567889183 /nfs/dbraw/zinc/88/91/83/567889183.db2.gz SRUMUEASYKBKOI-DHIUTWEWSA-N 2 0 363.505 3.648 20 30 FHEDRP COC1CCN(C(C)(C)C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000481928771 568189538 /nfs/dbraw/zinc/18/95/38/568189538.db2.gz BDOIHWVYSOGQGX-OAQYLSRUSA-N 2 0 355.526 3.805 20 30 FHEDRP N#Cc1ccc2ncc(CNC[C@H]3CCCC[N@H+](Cc4ccccc4)C3)n2c1 ZINC000569175676 568304678 /nfs/dbraw/zinc/30/46/78/568304678.db2.gz RDVDLNNIXKEQFN-OAQYLSRUSA-N 2 0 373.504 3.598 20 30 FHEDRP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCOc3cccc(C#N)c3)C2)s1 ZINC000579646299 930696012 /nfs/dbraw/zinc/69/60/12/930696012.db2.gz QXWNGUXYNPLJGZ-LJQANCHMSA-N 2 0 369.534 3.761 20 30 FHEDRP C[NH+](C)Cc1cccc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)c1 ZINC000160669432 931277204 /nfs/dbraw/zinc/27/72/04/931277204.db2.gz CTBRMOIBZRTQPU-UHFFFAOYSA-N 2 0 366.387 3.574 20 30 FHEDRP C=CCOc1c(Cl)cc(C[N@H+](C)CC2CC[NH+](C)CC2)cc1OC ZINC000628163829 936156474 /nfs/dbraw/zinc/15/64/74/936156474.db2.gz UJJISQFBVOLWPJ-UHFFFAOYSA-N 2 0 352.906 3.687 20 30 FHEDRP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc(C#N)cc1 ZINC000278618480 938590176 /nfs/dbraw/zinc/59/01/76/938590176.db2.gz GBYLPWRHSPVOQJ-QHCPKHFHSA-N 2 0 363.505 3.756 20 30 FHEDRP C[C@H](c1ccc(C#N)cc1)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000377264911 941603653 /nfs/dbraw/zinc/60/36/53/941603653.db2.gz BWLAHBQRXBXPCX-LJQANCHMSA-N 2 0 368.569 3.747 20 30 FHEDRP CN(CCC#N)c1ccc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1 ZINC000377761742 941973559 /nfs/dbraw/zinc/97/35/59/941973559.db2.gz NGZKPXRJSLGOCA-GMAHTHKFSA-N 2 0 362.521 3.819 20 30 FHEDRP CC[N@H+](Cc1ccc(CN2CCOCC2)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000420898337 942243975 /nfs/dbraw/zinc/24/39/75/942243975.db2.gz COTNJJZUMWUNRF-IBGZPJMESA-N 2 0 363.505 3.974 20 30 FHEDRP C[NH+](C)CCCC1CC[NH+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000501768958 942659355 /nfs/dbraw/zinc/65/93/55/942659355.db2.gz FYRJKENJJSQHDL-UHFFFAOYSA-N 2 0 351.441 3.713 20 30 FHEDRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000514091965 942741362 /nfs/dbraw/zinc/74/13/62/942741362.db2.gz AGJCELVLKLSFCG-WOJBJXKFSA-N 2 0 368.569 3.875 20 30 FHEDRP N#Cc1ccc(N2CCC([NH2+]Cc3cccc(C[NH+]4CCCC4)c3)CC2)cc1 ZINC000514092027 942741489 /nfs/dbraw/zinc/74/14/89/942741489.db2.gz BDZOAFGXGHSTBI-UHFFFAOYSA-N 2 0 374.532 3.913 20 30 FHEDRP C[N@@H+]1CC[C@H](CNC(=[NH2+])NC2CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000261938317 944363043 /nfs/dbraw/zinc/36/30/43/944363043.db2.gz FZJGUZPFKWJBCT-RDTXWAMCSA-N 2 0 366.912 3.709 20 30 FHEDRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000066905424 946583817 /nfs/dbraw/zinc/58/38/17/946583817.db2.gz FWXNLYRDOCYDAY-HXUWFJFHSA-N 2 0 363.505 3.959 20 30 FHEDRP Cc1ccc(CNC(Nc2ccccc2)=[NH+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000303987931 946753581 /nfs/dbraw/zinc/75/35/81/946753581.db2.gz JRMCLWKOYLQMDP-HXUWFJFHSA-N 2 0 350.510 3.704 20 30 FHEDRP C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H](C)CCC[NH+](CC)CC)[C@@H]2CC ZINC001167821717 948082324 /nfs/dbraw/zinc/08/23/24/948082324.db2.gz FJBBLIFCLXNGCX-SJBKTWHCSA-N 2 0 363.590 3.919 20 30 FHEDRP C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+]([C@@H](C)CCC[NH+](CC)CC)C2 ZINC001167824231 948104557 /nfs/dbraw/zinc/10/45/57/948104557.db2.gz OABMACSLBJRAJR-PWRODBHTSA-N 2 0 352.563 3.571 20 30 FHEDRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2OC)CC1 ZINC001167839488 948315867 /nfs/dbraw/zinc/31/58/67/948315867.db2.gz YGGZXCWVONVCJM-SFHVURJKSA-N 2 0 373.541 3.921 20 30 FHEDRP CN1CC[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)[C@@H]1c1ccccc1 ZINC000182081802 948542181 /nfs/dbraw/zinc/54/21/81/948542181.db2.gz MGXGTCCGBRECQL-ZEQRLZLVSA-N 2 0 374.532 3.558 20 30 FHEDRP N#CCCC[C@@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000601966663 567889134 /nfs/dbraw/zinc/88/91/34/567889134.db2.gz SRUMUEASYKBKOI-PKTZIBPZSA-N 2 0 363.505 3.648 20 30 FHEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C2CCC(C#N)CC2)CC1 ZINC000602543385 567989896 /nfs/dbraw/zinc/98/98/96/567989896.db2.gz CHPRSMOMLUWNCO-MUYFXNHWSA-N 2 0 358.505 3.701 20 30 FHEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)[C@@H](C)C1 ZINC000561130789 937099780 /nfs/dbraw/zinc/09/97/80/937099780.db2.gz HZCBRPFSPPHNLH-BULFRSBZSA-N 2 0 355.526 3.662 20 30 FHEDRP CC[C@@H]([NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccc(C#N)cc1 ZINC000376470422 941062901 /nfs/dbraw/zinc/06/29/01/941062901.db2.gz CMZBQVJCYJKBHH-HSZRJFAPSA-N 2 0 368.569 3.795 20 30 FHEDRP C[NH+](C)Cc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(F)c1 ZINC000414500228 941373036 /nfs/dbraw/zinc/37/30/36/941373036.db2.gz PYIYPOGUBFTJAH-UHFFFAOYSA-N 2 0 366.484 3.835 20 30 FHEDRP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccc(Cl)cc1C#N ZINC000431845153 941794598 /nfs/dbraw/zinc/79/45/98/941794598.db2.gz ZGTBOILLCLAWAH-UHFFFAOYSA-N 2 0 374.960 3.844 20 30 FHEDRP N#CC1(CCC[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)CCOCC1 ZINC000377758811 941965186 /nfs/dbraw/zinc/96/51/86/941965186.db2.gz IRYHSBJPSVQZRF-FCHUYYIVSA-N 2 0 367.537 3.541 20 30 FHEDRP C[C@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2ccc(C#N)c(F)c2)C[C@H](C)O1 ZINC000421323576 942482422 /nfs/dbraw/zinc/48/24/22/942482422.db2.gz ILIFUWNRHRYNEX-IRXDYDNUSA-N 2 0 367.468 3.596 20 30 FHEDRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000514091964 942741668 /nfs/dbraw/zinc/74/16/68/942741668.db2.gz AGJCELVLKLSFCG-PMACEKPBSA-N 2 0 368.569 3.875 20 30 FHEDRP C[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc(C#N)c(F)c1 ZINC000423468248 943524162 /nfs/dbraw/zinc/52/41/62/943524162.db2.gz JTGSAMNPWLKWIN-ADLFWFRXSA-N 2 0 355.432 3.880 20 30 FHEDRP N#Cc1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000439438278 944616951 /nfs/dbraw/zinc/61/69/51/944616951.db2.gz LZFZWFSXMMFCBT-UHFFFAOYSA-N 2 0 361.917 3.536 20 30 FHEDRP CC[C@H](C)NC(=[NH2+])NC[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000303267446 946534864 /nfs/dbraw/zinc/53/48/64/946534864.db2.gz XGXMPEJFYYFIIT-YJBOKZPZSA-N 2 0 356.539 3.550 20 30 FHEDRP CN(C)C(=[NH+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)N(C)C ZINC000262520085 946600728 /nfs/dbraw/zinc/60/07/28/946600728.db2.gz IERGEMONFQLRKI-NVXWUHKLSA-N 2 0 370.463 3.568 20 30 FHEDRP C[N@H+](CCCC1(C#N)CCOCC1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000282017833 946937928 /nfs/dbraw/zinc/93/79/28/946937928.db2.gz OYEOLFSHXBXAFP-UHFFFAOYSA-N 2 0 370.541 3.720 20 30 FHEDRP C[C@@H](NC(=[NH2+])NC1CC([NH+]2CCCCC2)C1)c1ccc(Cl)cc1Cl ZINC000262480765 947017571 /nfs/dbraw/zinc/01/75/71/947017571.db2.gz RLOCKDRHPMQXGP-LRVUVFPRSA-N 2 0 369.340 3.976 20 30 FHEDRP C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H](C)CCC[NH+](CC)CC)[C@@H]2CC ZINC001167821719 948078933 /nfs/dbraw/zinc/07/89/33/948078933.db2.gz FJBBLIFCLXNGCX-VWPQPMDRSA-N 2 0 363.590 3.919 20 30 FHEDRP C=CCOC[C@H]1CCC[C@@]12C[N@H+]([C@H](C)CCC[NH+](CC)CC)CCO2 ZINC001167823960 948103026 /nfs/dbraw/zinc/10/30/26/948103026.db2.gz FZZYKVMQKDQYII-NJDAHSKKSA-N 2 0 352.563 3.571 20 30 FHEDRP C=CCOc1ccccc1C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000512188212 948748550 /nfs/dbraw/zinc/74/85/50/948748550.db2.gz WZTGATMKKZPADO-KDURUIRLSA-N 2 0 358.526 3.573 20 30 FHEDRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3cc(C#N)cs3)CC2)c1 ZINC000177683625 930109770 /nfs/dbraw/zinc/10/97/70/930109770.db2.gz UYSKJORSSOKZCY-UHFFFAOYSA-N 2 0 368.550 3.620 20 30 FHEDRP C[C@H]1CCC[N@H+](CCCCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC000160663491 931270751 /nfs/dbraw/zinc/27/07/51/931270751.db2.gz SBTDWMMVSSMPMV-AWEZNQCLSA-N 2 0 372.435 3.824 20 30 FHEDRP N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000582295558 935499568 /nfs/dbraw/zinc/49/95/68/935499568.db2.gz YOUWZKFSHIYUEH-VKNHOLBOSA-N 2 0 368.525 3.544 20 30 FHEDRP CC[NH+](CC)CCCC1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000543872057 945326886 /nfs/dbraw/zinc/32/68/86/945326886.db2.gz ITFIAUZWBBDMJL-UHFFFAOYSA-N 2 0 370.541 3.721 20 30 FHEDRP CC(C)[N@H+](C)CC1CC[NH+](Cc2cc(C#N)ccc2Br)CC1 ZINC000584756221 943537359 /nfs/dbraw/zinc/53/73/59/943537359.db2.gz FMUHKLRGBXQTOI-UHFFFAOYSA-N 2 0 364.331 3.873 20 30 FHEDRP C=CCN(CC=C)C(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000515518501 943950271 /nfs/dbraw/zinc/95/02/71/943950271.db2.gz JMIJYBIPCVECBK-PMACEKPBSA-N 2 0 369.553 3.740 20 30 FHEDRP N#Cc1c(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cn2ccccc12 ZINC000519036238 945055574 /nfs/dbraw/zinc/05/55/74/945055574.db2.gz PADFIBZFUDLIFB-SFTDATJTSA-N 2 0 370.500 3.765 20 30 FHEDRP C[NH+]1CCC(CC[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000066905961 946595859 /nfs/dbraw/zinc/59/58/59/946595859.db2.gz CJHRYZIBWSLNIT-UHFFFAOYSA-N 2 0 363.505 3.959 20 30 FHEDRP C[NH+]=C(NCc1ccco1)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000303993429 946754885 /nfs/dbraw/zinc/75/48/85/946754885.db2.gz NTZQAYLFHTUESF-UHFFFAOYSA-N 2 0 374.916 3.510 20 30 FHEDRP CN1CC[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)[C@@H]1c1ccccc1 ZINC000182081820 948542352 /nfs/dbraw/zinc/54/23/52/948542352.db2.gz MGXGTCCGBRECQL-RPWUZVMVSA-N 2 0 374.532 3.558 20 30 FHEDRP C=C(C)CN1CCC([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000180164403 929410880 /nfs/dbraw/zinc/41/08/80/929410880.db2.gz PCAHZXMYXJTTMM-AKIFATBCSA-N 2 0 353.554 3.527 20 30 FHEDRP [NH2+]=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)Nc1ccc2c(c1)CCC2 ZINC000262010390 934738581 /nfs/dbraw/zinc/73/85/81/934738581.db2.gz TWEMFDUGQUQMFZ-MRXNPFEDSA-N 2 0 368.550 3.876 20 30 FHEDRP C=CCOc1ccccc1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657612002 936092395 /nfs/dbraw/zinc/09/23/95/936092395.db2.gz IDKVTDDZDFKNPX-UHFFFAOYSA-N 2 0 351.494 3.648 20 30 FHEDRP CC[N@@H+]1CC[C@@H](N(C)CC#Cc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000246915832 938416172 /nfs/dbraw/zinc/41/61/72/938416172.db2.gz SESWOWUOETXXJF-MAUKXSAKSA-N 2 0 354.416 3.599 20 30 FHEDRP CC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(C#N)cc1 ZINC000278752843 938799389 /nfs/dbraw/zinc/79/93/89/938799389.db2.gz NXURNTPEPGQXLR-PKTZIBPZSA-N 2 0 363.505 3.756 20 30 FHEDRP CN(CCC#N)c1ccc(C[NH2+]C[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000377761740 941973857 /nfs/dbraw/zinc/97/38/57/941973857.db2.gz NGZKPXRJSLGOCA-FYYLOGMGSA-N 2 0 362.521 3.819 20 30 FHEDRP C=C(C)COc1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)ccc1OC ZINC000506913652 944740307 /nfs/dbraw/zinc/74/03/07/944740307.db2.gz YKAVHUYAWBNQJQ-UHFFFAOYSA-N 2 0 358.526 3.958 20 30 FHEDRP C[C@@H]1C[N@@H+](CCCC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C[C@H](C)O1 ZINC000507659004 945430514 /nfs/dbraw/zinc/43/05/14/945430514.db2.gz IRLHJZZPLWGVII-QTBVYMFASA-N 2 0 369.553 3.870 20 30 FHEDRP CN(C)C(=[NH+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)N(C)C ZINC000262520082 946600755 /nfs/dbraw/zinc/60/07/55/946600755.db2.gz IERGEMONFQLRKI-DOTOQJQBSA-N 2 0 370.463 3.568 20 30 FHEDRP CN(C)C(=[NH+]C[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)N(C)C ZINC000262520088 946600766 /nfs/dbraw/zinc/60/07/66/946600766.db2.gz IERGEMONFQLRKI-WBVHZDCISA-N 2 0 370.463 3.568 20 30 FHEDRP CCc1cccc(NC(=[NH2+])NCc2ccc(OCCC[NH+](C)C)cc2)c1 ZINC000303985216 946753173 /nfs/dbraw/zinc/75/31/73/946753173.db2.gz SRENOYKHLYWEQN-UHFFFAOYSA-N 2 0 354.498 3.506 20 30 FHEDRP C=CCOC[C@@H]1CCC[C@@]12C[N@H+]([C@H](C)CCC[NH+](CC)CC)CCO2 ZINC001167823974 948104521 /nfs/dbraw/zinc/10/45/21/948104521.db2.gz FZZYKVMQKDQYII-QHAWAJNXSA-N 2 0 352.563 3.571 20 30 FHEDRP C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+]([C@H](C)CCC[NH+](CC)CC)C2 ZINC001167824220 948108026 /nfs/dbraw/zinc/10/80/26/948108026.db2.gz OABMACSLBJRAJR-NJDAHSKKSA-N 2 0 352.563 3.571 20 30 FHEDRP C=CCOc1ccccc1C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000512188214 948748939 /nfs/dbraw/zinc/74/89/39/948748939.db2.gz WZTGATMKKZPADO-RTBURBONSA-N 2 0 358.526 3.573 20 30 FHEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000602665908 568013631 /nfs/dbraw/zinc/01/36/31/568013631.db2.gz DSMMWMHISFKEEU-RBBKRZOGSA-N 2 0 369.553 3.977 20 30 FHEDRP COc1ccc([C@H](CCC#N)N[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)cc1 ZINC000365220730 568329777 /nfs/dbraw/zinc/32/97/77/568329777.db2.gz IOAYZNYKGWYRRH-UPZYVNNASA-N 2 0 371.525 3.519 20 30 FHEDRP C=CCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1Cl ZINC000650706737 938286593 /nfs/dbraw/zinc/28/65/93/938286593.db2.gz RQBHQJJRPHRYCV-QKLQHJQFSA-N 2 0 364.917 3.623 20 30 FHEDRP C[C@H](C#N)Oc1ccc(C[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000177562196 940278091 /nfs/dbraw/zinc/27/80/91/940278091.db2.gz HYWNTBHITMZFJU-RTBURBONSA-N 2 0 351.494 3.978 20 30 FHEDRP C[C@H]1C[C@@H](CC[NH2+]Cc2cnc3ccc(C#N)cn23)C[N@@H+]1Cc1ccccc1 ZINC000513505902 941968515 /nfs/dbraw/zinc/96/85/15/941968515.db2.gz MYSABWAOBYSMLH-AZUAARDMSA-N 2 0 373.504 3.596 20 30 FHEDRP COc1cc(C#N)ccc1C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000501205280 942352195 /nfs/dbraw/zinc/35/21/95/942352195.db2.gz NQDSXXKVLCCTJE-UHFFFAOYSA-N 2 0 363.505 3.911 20 30 FHEDRP C[N@@H+]1CC[C@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)[C@H]2CCC[C@H]21 ZINC000513713346 942442676 /nfs/dbraw/zinc/44/26/76/942442676.db2.gz NSVZELGWDFDNNJ-PTAFHAGTSA-N 2 0 353.510 3.711 20 30 FHEDRP C=CCN(CC=C)[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C ZINC000422828001 943297171 /nfs/dbraw/zinc/29/71/71/943297171.db2.gz FOLNKAGTCXRRDB-XJUOHMSHSA-N 2 0 369.553 3.531 20 30 FHEDRP CC(C)[N@H+](C)CC1CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000582101869 943369821 /nfs/dbraw/zinc/36/98/21/943369821.db2.gz JRWVTAYOFMYAFT-UHFFFAOYSA-N 2 0 368.443 3.989 20 30 FHEDRP C=CCCc1ccccc1NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000505052367 944013138 /nfs/dbraw/zinc/01/31/38/944013138.db2.gz RSMRHRUHRVDSPF-FQEVSTJZSA-N 2 0 372.557 3.685 20 30 FHEDRP [NH2+]=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)Nc1ccc2c(c1)CCC2 ZINC000262010386 945473131 /nfs/dbraw/zinc/47/31/31/945473131.db2.gz TWEMFDUGQUQMFZ-INIZCTEOSA-N 2 0 368.550 3.876 20 30 FHEDRP C=CC[C@]1(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CCC[NH2+]1 ZINC000662832438 946084776 /nfs/dbraw/zinc/08/47/76/946084776.db2.gz WLFLHHQJWXBNPA-HXUWFJFHSA-N 2 0 359.539 3.511 20 30 FHEDRP COc1ccc(C[NH+]2CCC(CNC(=[NH2+])NC3CCCCCC3)CC2)cc1 ZINC000305748553 946866176 /nfs/dbraw/zinc/86/61/76/946866176.db2.gz VPHBQUMLHYKZSI-UHFFFAOYSA-N 2 0 372.557 3.534 20 30 FHEDRP N#Cc1ccccc1OC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167994482 946903009 /nfs/dbraw/zinc/90/30/09/946903009.db2.gz GDYRAFGBQVZQDK-WCRBZPEASA-N 2 0 365.521 3.807 20 30 FHEDRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C[C@H](C)O1 ZINC000481665169 568083905 /nfs/dbraw/zinc/08/39/05/568083905.db2.gz XIKPLECXOYXHPC-KGVIQGDOSA-N 2 0 355.526 3.805 20 30 FHEDRP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCOc3ccc(C#N)cc3)C2)s1 ZINC000580601242 930909747 /nfs/dbraw/zinc/90/97/47/930909747.db2.gz CZORWRISLHJAMH-IBGZPJMESA-N 2 0 369.534 3.761 20 30 FHEDRP C=CC[N@H+](Cc1ccc(CN2CCOCC2)cc1)Cc1cccc(C#N)c1 ZINC000420907930 942248167 /nfs/dbraw/zinc/24/81/67/942248167.db2.gz WBPNOCTVCLVASL-UHFFFAOYSA-N 2 0 361.489 3.579 20 30 FHEDRP C[N@@H+]1CC[C@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)[C@H]2CCC[C@@H]21 ZINC000513713345 942442786 /nfs/dbraw/zinc/44/27/86/942442786.db2.gz NSVZELGWDFDNNJ-KJFGXLEFSA-N 2 0 353.510 3.711 20 30 FHEDRP C[N@@H+]1CC[C@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)[C@@H]2CCC[C@H]21 ZINC000513713347 942442971 /nfs/dbraw/zinc/44/29/71/942442971.db2.gz NSVZELGWDFDNNJ-VKNHOLBOSA-N 2 0 353.510 3.711 20 30 FHEDRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2ccc(C#N)c(F)c2)cc1 ZINC000421321224 942481449 /nfs/dbraw/zinc/48/14/49/942481449.db2.gz BMXQJPASSKHYCE-UHFFFAOYSA-N 2 0 355.457 3.708 20 30 FHEDRP C=CCC[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000423564230 943557718 /nfs/dbraw/zinc/55/77/18/943557718.db2.gz LHBQPBJOLNUVCM-HXUWFJFHSA-N 2 0 353.510 3.870 20 30 FHEDRP c1c(CC[NH+]=C(Nc2ccccc2)N2CCCCC2)nc2n1CCCC2 ZINC000261968059 944251921 /nfs/dbraw/zinc/25/19/21/944251921.db2.gz BZUPTMSEMYIEGK-UHFFFAOYSA-N 2 0 351.498 3.716 20 30 FHEDRP C[NH+](C)CC1CC[NH+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000506943305 944763337 /nfs/dbraw/zinc/76/33/37/944763337.db2.gz HHLJNAYXKVSWQQ-UHFFFAOYSA-N 2 0 363.505 3.911 20 30 FHEDRP C=CCOc1ccccc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000507717881 945472487 /nfs/dbraw/zinc/47/24/87/945472487.db2.gz IMEXFTIELQDZRG-UHFFFAOYSA-N 2 0 358.526 3.576 20 30 FHEDRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000025702655 945958323 /nfs/dbraw/zinc/95/83/23/945958323.db2.gz ILYSTZKCCJRIIA-QGZVFWFLSA-N 2 0 364.493 3.517 20 30 FHEDRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000025702653 945958802 /nfs/dbraw/zinc/95/88/02/945958802.db2.gz ILYSTZKCCJRIIA-KRWDZBQOSA-N 2 0 364.493 3.517 20 30 FHEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000192832108 946701050 /nfs/dbraw/zinc/70/10/50/946701050.db2.gz IIFVAWGBPJTBEI-JENIJYKNSA-N 2 0 358.505 3.701 20 30 FHEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000602525127 567987711 /nfs/dbraw/zinc/98/77/11/567987711.db2.gz RJKQJXFBMRLCSC-CTNGQTDRSA-N 2 0 355.526 3.587 20 30 FHEDRP CC[NH+]1CCC(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000066905878 568068452 /nfs/dbraw/zinc/06/84/52/568068452.db2.gz OXFQSMPSUMAETF-UHFFFAOYSA-N 2 0 363.505 3.959 20 30 FHEDRP COC1CCN(C(C)(C)C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000481928768 568189564 /nfs/dbraw/zinc/18/95/64/568189564.db2.gz BDOIHWVYSOGQGX-NRFANRHFSA-N 2 0 355.526 3.805 20 30 FHEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cc(C#N)cs2)CC1 ZINC000177696800 930167802 /nfs/dbraw/zinc/16/78/02/930167802.db2.gz MQEVKRIIPCPDIL-OAHLLOKOSA-N 2 0 372.513 3.752 20 30 FHEDRP N#Cc1ccccc1-c1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000610655747 933659040 /nfs/dbraw/zinc/65/90/40/933659040.db2.gz AVMFASQZIFUCNS-UHFFFAOYSA-N 2 0 354.457 3.942 20 30 FHEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000658034072 939020072 /nfs/dbraw/zinc/02/00/72/939020072.db2.gz GAQIIZXOVCGGQV-IRLDBZIGSA-N 2 0 369.553 3.608 20 30 FHEDRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccc(C#N)cc1F ZINC000179390955 939139784 /nfs/dbraw/zinc/13/97/84/939139784.db2.gz DZCZLELZISREJF-UHFFFAOYSA-N 2 0 352.457 3.831 20 30 FHEDRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180053059 940329356 /nfs/dbraw/zinc/32/93/56/940329356.db2.gz DERRTPRTMKEBMP-GOSISDBHSA-N 2 0 365.525 3.703 20 30 FHEDRP N#Cc1ccc(CN2CCC([NH2+][C@H](CCC[NH3+])c3ccccc3)CC2)cc1 ZINC000423522291 943545718 /nfs/dbraw/zinc/54/57/18/943545718.db2.gz UOKDUPTZRSXANR-HSZRJFAPSA-N 2 0 362.521 3.592 20 30 FHEDRP C[N@@H+]1CCN(CCC[NH2+][C@@H]2CCc3ccc(C#N)cc32)[C@H](c2ccccc2)C1 ZINC000584811001 943650204 /nfs/dbraw/zinc/65/02/04/943650204.db2.gz XKLBDRSHMOZIMJ-RPWUZVMVSA-N 2 0 374.532 3.514 20 30 FHEDRP CC[NH+]=C(NCC(C)(C)c1cccs1)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261970581 944363486 /nfs/dbraw/zinc/36/34/86/944363486.db2.gz MOIQVXXJFYGVSQ-IRXDYDNUSA-N 2 0 373.570 3.771 20 30 FHEDRP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)Cc2cccc(C#N)c2)CC1 ZINC000507207861 945031893 /nfs/dbraw/zinc/03/18/93/945031893.db2.gz CYPSBMOEQUIJLL-UHFFFAOYSA-N 2 0 362.521 3.722 20 30 FHEDRP N#Cc1c(CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cn2ccccc12 ZINC000519036235 945055723 /nfs/dbraw/zinc/05/57/23/945055723.db2.gz PADFIBZFUDLIFB-LEWJYISDSA-N 2 0 370.500 3.765 20 30 FHEDRP Cc1cccc(NC(=[NH2+])NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1 ZINC000262422366 946314914 /nfs/dbraw/zinc/31/49/14/946314914.db2.gz BORUJNNEDNQRTC-UHFFFAOYSA-N 2 0 354.420 3.527 20 30 FHEDRP N#Cc1ccccc1COc1cccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000066905269 946588381 /nfs/dbraw/zinc/58/83/81/946588381.db2.gz KPCNELHBTFRPEF-LJQANCHMSA-N 2 0 361.489 3.711 20 30 FHEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC000305180302 946827887 /nfs/dbraw/zinc/82/78/87/946827887.db2.gz BJCIQBVLJWHJSE-OKILXGFUSA-N 2 0 372.435 3.680 20 30 FHEDRP C=CCOc1ccc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000237668431 936188952 /nfs/dbraw/zinc/18/89/52/936188952.db2.gz KXKQVMLSGIQOQF-CALCHBBNSA-N 2 0 366.933 3.884 20 30 FHEDRP [NH2+]=C(NC[C@H](c1cccs1)[NH+]1CCCC1)Nc1ccc2c(c1)CCC2 ZINC000262377811 938676466 /nfs/dbraw/zinc/67/64/66/938676466.db2.gz XKJZHUXLPLBYQI-GOSISDBHSA-N 2 0 354.523 3.801 20 30 FHEDRP C[N@H+](CCCOc1cccc(C#N)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000383105250 945247134 /nfs/dbraw/zinc/24/71/34/945247134.db2.gz HDGXMULYRACXQK-JOCHJYFZSA-N 2 0 363.505 3.781 20 30 FHEDRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3ccc(C#N)c(F)c3)CC2)cc1 ZINC000421331021 942487730 /nfs/dbraw/zinc/48/77/30/942487730.db2.gz ZCNGWJJSNYAMEW-UHFFFAOYSA-N 2 0 367.468 3.708 20 30 FHEDRP CC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000418146170 944208313 /nfs/dbraw/zinc/20/83/13/944208313.db2.gz PERDENQLUXZCJV-QHCPKHFHSA-N 2 0 374.532 3.867 20 30 FHEDRP N#Cc1c(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cn2ccccc12 ZINC000519036237 945056165 /nfs/dbraw/zinc/05/61/65/945056165.db2.gz PADFIBZFUDLIFB-RTWAWAEBSA-N 2 0 370.500 3.765 20 30 FHEDRP C[C@@H]1C[NH+](CCCC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C[C@@H](C)O1 ZINC000507659002 945430837 /nfs/dbraw/zinc/43/08/37/945430837.db2.gz IRLHJZZPLWGVII-FDIHYXAFSA-N 2 0 369.553 3.870 20 30 FHEDRP CN(C)C(NCc1ccccc1)=[NH+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000303865584 946718421 /nfs/dbraw/zinc/71/84/21/946718421.db2.gz BQMCRVHJGZOYLD-IBGZPJMESA-N 2 0 370.566 3.668 20 30 FHEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000602525133 567987730 /nfs/dbraw/zinc/98/77/30/567987730.db2.gz RJKQJXFBMRLCSC-TZIWHRDSSA-N 2 0 355.526 3.587 20 30 FHEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000602526374 567987811 /nfs/dbraw/zinc/98/78/11/567987811.db2.gz VYXFCYCBAOCEDC-PZJWPPBQSA-N 2 0 355.526 3.730 20 30 FHEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000602514672 567989752 /nfs/dbraw/zinc/98/97/52/567989752.db2.gz UIGGAZVHOCHFSU-IBGZPJMESA-N 2 0 355.526 3.861 20 30 FHEDRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3cc(C#N)cs3)cc2)C[C@@H](C)O1 ZINC000177683573 930109834 /nfs/dbraw/zinc/10/98/34/930109834.db2.gz WIDKZKGMYVQMIC-HZPDHXFCSA-N 2 0 355.507 3.519 20 30 FHEDRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC000160764532 931565679 /nfs/dbraw/zinc/56/56/79/931565679.db2.gz DWLQSUSVLQYCDB-AWEZNQCLSA-N 2 0 372.435 3.680 20 30 FHEDRP [NH2+]=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)Nc1cc(F)ccc1F ZINC000262298961 938251788 /nfs/dbraw/zinc/25/17/88/938251788.db2.gz PQZVYJAEEUPLMY-CYBMUJFWSA-N 2 0 364.465 3.665 20 30 FHEDRP CC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc(C#N)cc1 ZINC000278752833 938799414 /nfs/dbraw/zinc/79/94/14/938799414.db2.gz NXURNTPEPGQXLR-GOTSBHOMSA-N 2 0 363.505 3.756 20 30 FHEDRP CC[C@@H](c1ccncc1)[NH+](C)CC#CC[N@@H+](C)[C@@H](CC)c1ccncc1 ZINC000472565992 940832956 /nfs/dbraw/zinc/83/29/56/940832956.db2.gz CNIOMZXABPAWIM-VXKWHMMOSA-N 2 0 350.510 3.946 20 30 FHEDRP CN(CCC#N)c1ccc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000377761743 941973746 /nfs/dbraw/zinc/97/37/46/941973746.db2.gz NGZKPXRJSLGOCA-JTHBVZDNSA-N 2 0 362.521 3.819 20 30 FHEDRP C=CCC[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000423564218 943557836 /nfs/dbraw/zinc/55/78/36/943557836.db2.gz LHBQPBJOLNUVCM-FQEVSTJZSA-N 2 0 353.510 3.870 20 30 FHEDRP COc1ccc([C@H](CCC#N)N[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)cc1 ZINC000365220728 568329788 /nfs/dbraw/zinc/32/97/88/568329788.db2.gz IOAYZNYKGWYRRH-MVWVFHAYSA-N 2 0 371.525 3.519 20 30 FHEDRP C=CCN1CCC([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000236662825 934761653 /nfs/dbraw/zinc/76/16/53/934761653.db2.gz SROGPVGEBULMSC-UHFFFAOYSA-N 2 0 361.489 3.877 20 30 FHEDRP CC[N@H+](CCC1CC[NH+](CCOc2ccc(C#N)cc2)CC1)CC1CC1 ZINC000538950620 934969741 /nfs/dbraw/zinc/96/97/41/934969741.db2.gz QMCGLBJXJCKAOH-UHFFFAOYSA-N 2 0 355.526 3.771 20 30 FHEDRP COc1ccc(C[NH+]2CCC(CNC(=[NH2+])Nc3cccc(C)c3)CC2)cc1 ZINC000104180846 935004608 /nfs/dbraw/zinc/00/46/08/935004608.db2.gz KIAJBZZHFUQSDT-UHFFFAOYSA-N 2 0 366.509 3.642 20 30 FHEDRP N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000582295555 935499541 /nfs/dbraw/zinc/49/95/41/935499541.db2.gz YOUWZKFSHIYUEH-DPVAKWRKSA-N 2 0 368.525 3.544 20 30 FHEDRP N#CC1(CCC[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)CCOCC1 ZINC000377758817 941965360 /nfs/dbraw/zinc/96/53/60/941965360.db2.gz IRYHSBJPSVQZRF-VXKWHMMOSA-N 2 0 367.537 3.541 20 30 FHEDRP COCC[N@H+](C)CCCC1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000501793181 942680853 /nfs/dbraw/zinc/68/08/53/942680853.db2.gz LEDFPBSOOQBZOR-UHFFFAOYSA-N 2 0 362.945 3.762 20 30 FHEDRP N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)O1 ZINC000378459834 942793281 /nfs/dbraw/zinc/79/32/81/942793281.db2.gz ZVGPTACZICIPTN-GXRSIYKFSA-N 2 0 353.510 3.612 20 30 FHEDRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000422999727 943360983 /nfs/dbraw/zinc/36/09/83/943360983.db2.gz YHJWFVKTXNHCQG-SQIAZXFVSA-N 2 0 363.505 3.796 20 30 FHEDRP C=CCN(CC=C)C(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000515518503 943950874 /nfs/dbraw/zinc/95/08/74/943950874.db2.gz JMIJYBIPCVECBK-VQTJNVASSA-N 2 0 369.553 3.740 20 30 FHEDRP CC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000418146169 944208336 /nfs/dbraw/zinc/20/83/36/944208336.db2.gz PERDENQLUXZCJV-HSZRJFAPSA-N 2 0 374.532 3.867 20 30 FHEDRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CC2CCC(C#N)CC2)CC1 ZINC000441352037 946468760 /nfs/dbraw/zinc/46/87/60/946468760.db2.gz DERNYEZVEYPXSM-UHFFFAOYSA-N 2 0 360.933 3.511 20 30 FHEDRP CCC1(C[NH2+]Cc2nc(C#N)cs2)CC[NH+](Cc2ccccc2)CC1 ZINC000574679442 948171766 /nfs/dbraw/zinc/17/17/66/948171766.db2.gz OIMPLOLRDDVOOF-UHFFFAOYSA-N 2 0 354.523 3.797 20 30 FHEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000602526372 567987775 /nfs/dbraw/zinc/98/77/75/567987775.db2.gz VYXFCYCBAOCEDC-CTNGQTDRSA-N 2 0 355.526 3.730 20 30 FHEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000602512643 567989232 /nfs/dbraw/zinc/98/92/32/567989232.db2.gz LCBPJXZIADGUHU-LJQANCHMSA-N 2 0 355.526 3.861 20 30 FHEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000602511815 567989315 /nfs/dbraw/zinc/98/93/15/567989315.db2.gz LCBPJXZIADGUHU-IBGZPJMESA-N 2 0 355.526 3.861 20 30 FHEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000602665909 568013603 /nfs/dbraw/zinc/01/36/03/568013603.db2.gz DSMMWMHISFKEEU-UNMCSNQZSA-N 2 0 369.553 3.977 20 30 FHEDRP C[N@@H+]1CCC[C@H](CNC(=[NH2+])Nc2cc(F)ccc2F)[C@@H]1c1cccs1 ZINC000262255732 937252669 /nfs/dbraw/zinc/25/26/69/937252669.db2.gz FEBGWYVCPLKETP-SJKOYZFVSA-N 2 0 364.465 3.836 20 30 FHEDRP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc1OCCCC#N ZINC000105456801 935087006 /nfs/dbraw/zinc/08/70/06/935087006.db2.gz TULKZHJLZRBZSU-LJQANCHMSA-N 2 0 359.514 3.588 20 30 FHEDRP N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000582295556 935499671 /nfs/dbraw/zinc/49/96/71/935499671.db2.gz YOUWZKFSHIYUEH-JRGKDQQJSA-N 2 0 368.525 3.544 20 30 FHEDRP C=CCN1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000248411099 938576464 /nfs/dbraw/zinc/57/64/64/938576464.db2.gz YSNUNYGOJDDAIJ-YMPZKCBVSA-N 2 0 353.554 3.527 20 30 FHEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000177562153 940278100 /nfs/dbraw/zinc/27/81/00/940278100.db2.gz HYWNTBHITMZFJU-OALUTQOASA-N 2 0 351.494 3.978 20 30 FHEDRP Cn1cc(C[NH2+]CCCCC[NH+]2CCCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000180206011 940818583 /nfs/dbraw/zinc/81/85/83/940818583.db2.gz DBKCCTNVWZIEQG-UHFFFAOYSA-N 2 0 365.525 3.705 20 30 FHEDRP C=CCOc1ccc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1Cl ZINC000415123601 941619100 /nfs/dbraw/zinc/61/91/00/941619100.db2.gz LLQQGTYRWKINFU-PXNSSMCTSA-N 2 0 364.917 3.623 20 30 FHEDRP C=CCOc1ccc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1Cl ZINC000415123602 941619116 /nfs/dbraw/zinc/61/91/16/941619116.db2.gz LLQQGTYRWKINFU-XLIONFOSSA-N 2 0 364.917 3.623 20 30 FHEDRP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(C#N)c(F)c2)C[C@H](C)O1 ZINC000421323569 942482045 /nfs/dbraw/zinc/48/20/45/942482045.db2.gz ILIFUWNRHRYNEX-CALCHBBNSA-N 2 0 367.468 3.596 20 30 FHEDRP C[N@@H+]1CCN(CCC[NH2+][C@@H]2CCc3ccc(C#N)cc32)[C@@H](c2ccccc2)C1 ZINC000584810999 943650291 /nfs/dbraw/zinc/65/02/91/943650291.db2.gz XKLBDRSHMOZIMJ-DNQXCXABSA-N 2 0 374.532 3.514 20 30 FHEDRP C=CCN(CC=C)C(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000515518502 943950468 /nfs/dbraw/zinc/95/04/68/943950468.db2.gz JMIJYBIPCVECBK-UXHICEINSA-N 2 0 369.553 3.740 20 30 FHEDRP COc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000312746760 944597551 /nfs/dbraw/zinc/59/75/51/944597551.db2.gz VPPGQCUKWCXXOL-NRFANRHFSA-N 2 0 363.505 3.959 20 30 FHEDRP COc1cc(C[NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000440608731 947358677 /nfs/dbraw/zinc/35/86/77/947358677.db2.gz FNUKLZLOFMNBEQ-NQIIRXRSSA-N 2 0 363.505 3.957 20 30 FHEDRP C=CCOC[C@H]1CCC[C@@]12C[N@H+]([C@@H](C)CCC[NH+](CC)CC)CCO2 ZINC001167823969 948103107 /nfs/dbraw/zinc/10/31/07/948103107.db2.gz FZZYKVMQKDQYII-PWRODBHTSA-N 2 0 352.563 3.571 20 30 FHEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000602514673 567989791 /nfs/dbraw/zinc/98/97/91/567989791.db2.gz UIGGAZVHOCHFSU-LJQANCHMSA-N 2 0 355.526 3.861 20 30 FHEDRP N#CCC[C@@H](C#N)CN1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000602863572 568007691 /nfs/dbraw/zinc/00/76/91/568007691.db2.gz OJAKEABJWHOAMN-NRFANRHFSA-N 2 0 350.510 3.808 20 30 FHEDRP N#CC1CCC([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CC1 ZINC000602678015 568009427 /nfs/dbraw/zinc/00/94/27/568009427.db2.gz ZQHURQYKOAESHH-NJEKYYFSSA-N 2 0 367.537 3.587 20 30 FHEDRP CC1CC[NH+](CCCCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)CC1 ZINC000160662513 931270419 /nfs/dbraw/zinc/27/04/19/931270419.db2.gz GLXYOUFWDVTROV-UHFFFAOYSA-N 2 0 372.435 3.824 20 30 FHEDRP CC[N@@H+]1CC[C@H](N(C)CC#Cc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000246915867 938416238 /nfs/dbraw/zinc/41/62/38/938416238.db2.gz SESWOWUOETXXJF-YJBOKZPZSA-N 2 0 354.416 3.599 20 30 FHEDRP C=C(C)COc1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)ccc1OC ZINC000657813032 938523601 /nfs/dbraw/zinc/52/36/01/938523601.db2.gz ZAQILZLSBQDROK-UHFFFAOYSA-N 2 0 358.526 3.862 20 30 FHEDRP CC[C@H](c1ccncc1)[NH+](C)CC#CC[N@@H+](C)[C@H](CC)c1ccncc1 ZINC000472565985 940832995 /nfs/dbraw/zinc/83/29/95/940832995.db2.gz CNIOMZXABPAWIM-FGZHOGPDSA-N 2 0 350.510 3.946 20 30 FHEDRP N#Cc1ccc(OCCC[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000728686446 941529898 /nfs/dbraw/zinc/52/98/98/941529898.db2.gz RVWXXAHRBVWJHJ-NRFANRHFSA-N 2 0 355.526 3.915 20 30 FHEDRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000422984880 943358596 /nfs/dbraw/zinc/35/85/96/943358596.db2.gz BNJQKONJZGAXPA-MYWSLZCHSA-N 2 0 364.493 3.761 20 30 FHEDRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000422999730 943361134 /nfs/dbraw/zinc/36/11/34/943361134.db2.gz YHJWFVKTXNHCQG-WGJNNHPISA-N 2 0 363.505 3.796 20 30 FHEDRP C[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000262037678 945830335 /nfs/dbraw/zinc/83/03/35/945830335.db2.gz QZAQBKASMLUPFM-KSSFIOAISA-N 2 0 360.864 3.899 20 30 FHEDRP CC1CC[NH+](C2CCC(NC(=O)N3CCC(c4ncc[nH]4)CC3)CC2)CC1 ZINC000328648867 946965515 /nfs/dbraw/zinc/96/55/15/946965515.db2.gz IIHAJKKIQGCWCE-UHFFFAOYSA-N 2 0 373.545 3.546 20 30 FHEDRP C=C(C)COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)ccc1OC ZINC000663347757 947819466 /nfs/dbraw/zinc/81/94/66/947819466.db2.gz UQAHJLOXRWEHIQ-FQEVSTJZSA-N 2 0 358.526 3.862 20 30 FHEDRP CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(C#N)cc1 ZINC000278906434 948062946 /nfs/dbraw/zinc/06/29/46/948062946.db2.gz ZTDXWXKPBAONPS-HSZRJFAPSA-N 2 0 363.505 3.756 20 30 FHEDRP C=C(C)CN1CCC([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000180164375 929410836 /nfs/dbraw/zinc/41/08/36/929410836.db2.gz PCAHZXMYXJTTMM-ACIOBRDBSA-N 2 0 353.554 3.527 20 30 FHEDRP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCOc3cccc(C#N)c3)C2)s1 ZINC000579646298 930695741 /nfs/dbraw/zinc/69/57/41/930695741.db2.gz QXWNGUXYNPLJGZ-IBGZPJMESA-N 2 0 369.534 3.761 20 30 FHEDRP C=CCCn1cc(C[NH2+]CC2(CC)CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000657416302 935637474 /nfs/dbraw/zinc/63/74/74/935637474.db2.gz NHGSCCRMKJAZGG-UHFFFAOYSA-N 2 0 367.541 3.636 20 30 FHEDRP CCN(CCC[NH+](CC)CC)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000582813389 936156458 /nfs/dbraw/zinc/15/64/58/936156458.db2.gz MXESBZRQIVMLEG-UHFFFAOYSA-N 2 0 353.514 3.513 20 30 FHEDRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180053075 940329325 /nfs/dbraw/zinc/32/93/25/940329325.db2.gz DERRTPRTMKEBMP-SFHVURJKSA-N 2 0 365.525 3.703 20 30 FHEDRP N#Cc1ccc(OCCC[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000728686447 941529705 /nfs/dbraw/zinc/52/97/05/941529705.db2.gz RVWXXAHRBVWJHJ-OAQYLSRUSA-N 2 0 355.526 3.915 20 30 FHEDRP CCCCCCCC[N@@H+]1CC[C@@H]2C[C@@]21C(=O)N(C)CC[NH+](CC)CC ZINC001279870359 941960303 /nfs/dbraw/zinc/96/03/03/941960303.db2.gz CTOYETJQJGWHOF-CTNGQTDRSA-N 2 0 351.579 3.612 20 30 FHEDRP N#Cc1ccc(C[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)cc1F ZINC000421344045 942497849 /nfs/dbraw/zinc/49/78/49/942497849.db2.gz ROIYQVGWFOEDFW-UHFFFAOYSA-N 2 0 367.468 3.504 20 30 FHEDRP CC1(C#N)CC[NH+](Cc2cccc(C[NH+]3CCC(C)(C#N)CC3)c2)CC1 ZINC000272593950 943183288 /nfs/dbraw/zinc/18/32/88/943183288.db2.gz PVGHBYARPRLWAO-UHFFFAOYSA-N 2 0 350.510 3.938 20 30 FHEDRP C=CCOc1ccccc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422914006 943329129 /nfs/dbraw/zinc/32/91/29/943329129.db2.gz ZPUNNTBXXCIJME-DENIHFKCSA-N 2 0 350.462 3.597 20 30 FHEDRP C=CCOc1ccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423099566 943393500 /nfs/dbraw/zinc/39/35/00/943393500.db2.gz FNISYSBJZRPZTC-IFMALSPDSA-N 2 0 350.462 3.597 20 30 FHEDRP C=CCCCCCCC[NH2+]C12CC(C(=O)N(C)CC[NH+](CC)CC)(C1)C2 ZINC001279835624 945718332 /nfs/dbraw/zinc/71/83/32/945718332.db2.gz YNUHPLPKHOPAPI-UHFFFAOYSA-N 2 0 363.590 3.826 20 30 FHEDRP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000187711122 934857119 /nfs/dbraw/zinc/85/71/19/934857119.db2.gz XEGPDXULHQYSJP-QRVBRYPASA-N 2 0 355.526 3.831 20 30 FHEDRP N#Cc1ccc(N2CCC([NH2+]C3CC[NH+](CC4CCCC4)CC3)CC2)cc1 ZINC000375896075 940029635 /nfs/dbraw/zinc/02/96/35/940029635.db2.gz SOIGIRGSTZYNBM-UHFFFAOYSA-N 2 0 366.553 3.771 20 30 FHEDRP C[N@H+](Cc1cccc(OCCCC#N)c1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377689147 941901584 /nfs/dbraw/zinc/90/15/84/941901584.db2.gz CVBZFYCBEKVZSU-UHFFFAOYSA-N 2 0 364.493 3.865 20 30 FHEDRP CCCCCCCC[N@@H+]1CC[C@H]2C[C@]21C(=O)N(C)CC[NH+](CC)CC ZINC001279870361 941960724 /nfs/dbraw/zinc/96/07/24/941960724.db2.gz CTOYETJQJGWHOF-PZJWPPBQSA-N 2 0 351.579 3.612 20 30 FHEDRP N#Cc1cccc(OCCC[NH+]2CCC(c3ncc4n3CCCC4)CC2)c1 ZINC000434681321 942870888 /nfs/dbraw/zinc/87/08/88/942870888.db2.gz NCRSBFBHEJVMCF-UHFFFAOYSA-N 2 0 364.493 3.740 20 30 FHEDRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000422984879 943358535 /nfs/dbraw/zinc/35/85/35/943358535.db2.gz BNJQKONJZGAXPA-IJNIYJAUSA-N 2 0 364.493 3.761 20 30 FHEDRP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)[C@H]3CCC[N@@H+]3C3CC3)c2)CC1 ZINC000330241422 945420371 /nfs/dbraw/zinc/42/03/71/945420371.db2.gz FRHQRTBOUDRLSC-LJQANCHMSA-N 2 0 370.497 3.649 20 30 FHEDRP COc1cc(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)ccc1C#N ZINC000440609242 947357201 /nfs/dbraw/zinc/35/72/01/947357201.db2.gz DDMXQFOBYDXBNJ-ROUUACIJSA-N 2 0 363.505 3.813 20 30 FHEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cc(C#N)cs2)CC1 ZINC000177696815 930168048 /nfs/dbraw/zinc/16/80/48/930168048.db2.gz MQEVKRIIPCPDIL-HNNXBMFYSA-N 2 0 372.513 3.752 20 30 FHEDRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000180171388 940739114 /nfs/dbraw/zinc/73/91/14/940739114.db2.gz PBDGUMZITXQJJX-UHFFFAOYSA-N 2 0 373.504 3.700 20 30 FHEDRP C[NH+](C)CCCC1CC[NH+](Cc2ccc(C#N)cc2Br)CC1 ZINC000181210737 941110844 /nfs/dbraw/zinc/11/08/44/941110844.db2.gz SIYHMZYGUJGRSD-UHFFFAOYSA-N 2 0 364.331 3.875 20 30 FHEDRP C#CCCOc1ccc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000236685430 942987509 /nfs/dbraw/zinc/98/75/09/942987509.db2.gz BURRHFJNDIHXSH-QHCPKHFHSA-N 2 0 362.517 3.743 20 30 FHEDRP N#Cc1c(CN2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cn2ccccc12 ZINC000519036236 945055884 /nfs/dbraw/zinc/05/58/84/945055884.db2.gz PADFIBZFUDLIFB-NHCUHLMSSA-N 2 0 370.500 3.765 20 30 FHEDRP C[N@H+](CCCC1(C#N)CCOCC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000281895611 945908226 /nfs/dbraw/zinc/90/82/26/945908226.db2.gz FDXODVUBBIIEKM-NRFANRHFSA-N 2 0 355.526 3.541 20 30 FHEDRP CC[C@H](C)NC(=[NH2+])NC[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000303267440 946535345 /nfs/dbraw/zinc/53/53/45/946535345.db2.gz XGXMPEJFYYFIIT-MAUKXSAKSA-N 2 0 356.539 3.550 20 30 FHEDRP CC1CC[NH+](Cc2cccc(CNC(=[NH2+])NCCc3cccs3)c2)CC1 ZINC000303987501 946753825 /nfs/dbraw/zinc/75/38/25/946753825.db2.gz VNJSTUFPTUZMLF-UHFFFAOYSA-N 2 0 370.566 3.627 20 30 FHEDRP COc1ccc(NC(=[NH2+])NCC(C)(C)[NH2+][C@H](C)c2ccccc2)cc1OC ZINC000304758717 946793906 /nfs/dbraw/zinc/79/39/06/946793906.db2.gz QJSLECWUOLSTTD-OAHLLOKOSA-N 2 0 370.497 3.560 20 30 FHEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000602665906 568013659 /nfs/dbraw/zinc/01/36/59/568013659.db2.gz DSMMWMHISFKEEU-IFMALSPDSA-N 2 0 369.553 3.977 20 30 FHEDRP CC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc(C#N)cc1 ZINC000278752853 938799729 /nfs/dbraw/zinc/79/97/29/938799729.db2.gz NXURNTPEPGQXLR-XZOQPEGZSA-N 2 0 363.505 3.756 20 30 FHEDRP CN(CCC#N)c1ccc(C[NH2+]C[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1 ZINC000377761741 941973692 /nfs/dbraw/zinc/97/36/92/941973692.db2.gz NGZKPXRJSLGOCA-GGAORHGYSA-N 2 0 362.521 3.819 20 30 FHEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000728712159 941983283 /nfs/dbraw/zinc/98/32/83/941983283.db2.gz WLGMJLZZMPUSPI-UGKGYDQZSA-N 2 0 363.505 3.979 20 30 FHEDRP N#Cc1ccc(C[N@H+](Cc2ccc(CN3CCOCC3)cc2)C2CC2)cc1 ZINC000420906905 942248044 /nfs/dbraw/zinc/24/80/44/942248044.db2.gz UFJWLFLEVWFJBA-UHFFFAOYSA-N 2 0 361.489 3.555 20 30 FHEDRP C[N@H+](CC#Cc1ccc(Cl)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501027259 942269396 /nfs/dbraw/zinc/26/93/96/942269396.db2.gz VNBYAGJDCWMXMH-UHFFFAOYSA-N 2 0 353.897 3.935 20 30 FHEDRP C=CCOc1ccccc1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422914009 943328935 /nfs/dbraw/zinc/32/89/35/943328935.db2.gz ZPUNNTBXXCIJME-UGKGYDQZSA-N 2 0 350.462 3.597 20 30 FHEDRP CN(CCC#N)c1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000192933686 944422460 /nfs/dbraw/zinc/42/24/60/944422460.db2.gz HEUKIYCZCZKDPT-JOCHJYFZSA-N 2 0 362.521 3.648 20 30 FHEDRP C[C@@H]1C[N@@H+](CC2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000427012078 944997121 /nfs/dbraw/zinc/99/71/21/944997121.db2.gz MLLQHGVBOOOSLH-HDICACEKSA-N 2 0 360.929 3.513 20 30 FHEDRP CN(Cc1ccco1)Cc1ccccc1CNC(=[NH2+])N1CCCCCC1 ZINC000305088182 946813791 /nfs/dbraw/zinc/81/37/91/946813791.db2.gz VRAPLEFNUATRCG-UHFFFAOYSA-N 2 0 354.498 3.602 20 30 FHEDRP CC(C)[NH+](CCCNC(=[NH2+])Nc1ccccc1OC(F)(F)F)C(C)C ZINC000305172046 946827327 /nfs/dbraw/zinc/82/73/27/946827327.db2.gz ADYMTHICHHGEGU-UHFFFAOYSA-N 2 0 360.424 3.821 20 30 FHEDRP COc1cc(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1C#N ZINC000440609239 947362307 /nfs/dbraw/zinc/36/23/07/947362307.db2.gz DDMXQFOBYDXBNJ-CYGODWOOSA-N 2 0 363.505 3.813 20 30 FHEDRP C=CCc1cc(OC)cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1O ZINC000164538441 948141840 /nfs/dbraw/zinc/14/18/40/948141840.db2.gz GCRXCZMHDORSFE-DYESRHJHSA-N 2 0 356.510 3.578 20 30 FHEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000602526373 567987769 /nfs/dbraw/zinc/98/77/69/567987769.db2.gz VYXFCYCBAOCEDC-FPOVZHCZSA-N 2 0 355.526 3.730 20 30 FHEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000602544702 567990039 /nfs/dbraw/zinc/99/00/39/567990039.db2.gz JNZXKZFOZHOHKX-VEEZFSHISA-N 2 0 367.537 3.871 20 30 FHEDRP C[C@@H]1CCC[N@H+](CCCCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC000160663346 931270698 /nfs/dbraw/zinc/27/06/98/931270698.db2.gz SBTDWMMVSSMPMV-CQSZACIVSA-N 2 0 372.435 3.824 20 30 FHEDRP C[C@H]1CCCC[N@@H+]1CCCCNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160663076 931271088 /nfs/dbraw/zinc/27/10/88/931271088.db2.gz GRWMWZMPQLQLIY-AWEZNQCLSA-N 2 0 372.435 3.966 20 30 FHEDRP CC[NH+](CC)CCCC1CC[NH+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000180790302 941077757 /nfs/dbraw/zinc/07/77/57/941077757.db2.gz BPICVBZVWKUQPM-UHFFFAOYSA-N 2 0 353.514 3.540 20 30 FHEDRP C=CCc1cc(C[N@H+](C)C2CCN(c3cc[nH+]cc3)CC2)cc(OC)c1O ZINC000377697067 941913606 /nfs/dbraw/zinc/91/36/06/941913606.db2.gz IINJWUNERQWBRZ-UHFFFAOYSA-N 2 0 367.493 3.625 20 30 FHEDRP C[C@@H]1C[C@H](CC[NH2+]Cc2cnc3ccc(C#N)cn23)C[N@@H+]1Cc1ccccc1 ZINC000513505906 941968528 /nfs/dbraw/zinc/96/85/28/941968528.db2.gz MYSABWAOBYSMLH-QUCCMNQESA-N 2 0 373.504 3.596 20 30 FHEDRP C[N@@H+]1CCN(CCC[NH2+][C@H]2CCc3ccc(C#N)cc32)[C@@H](c2ccccc2)C1 ZINC000584810998 943650138 /nfs/dbraw/zinc/65/01/38/943650138.db2.gz XKLBDRSHMOZIMJ-BJKOFHAPSA-N 2 0 374.532 3.514 20 30 FHEDRP C=CCN(CC=C)C(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000515518504 943950777 /nfs/dbraw/zinc/95/07/77/943950777.db2.gz JMIJYBIPCVECBK-WOJBJXKFSA-N 2 0 369.553 3.740 20 30 FHEDRP C[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262037684 945830906 /nfs/dbraw/zinc/83/09/06/945830906.db2.gz QZAQBKASMLUPFM-RDTXWAMCSA-N 2 0 360.864 3.899 20 30 FHEDRP [NH2+]=C(NCCC[NH+](Cc1ccccc1)Cc1ccccc1)Nc1ccccn1 ZINC000178423607 946230494 /nfs/dbraw/zinc/23/04/94/946230494.db2.gz OQPGSJNZFXGLFN-UHFFFAOYSA-N 2 0 373.504 3.901 20 30 FHEDRP C=CCC1([NH2+]CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CCCC1 ZINC000661852564 946760398 /nfs/dbraw/zinc/76/03/98/946760398.db2.gz YTKLYESZQDAHHU-UHFFFAOYSA-N 2 0 373.566 3.652 20 30 FHEDRP CCNC(NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)=[NH+]CC ZINC000304240354 946768153 /nfs/dbraw/zinc/76/81/53/946768153.db2.gz LUFAKEKZCIFADF-DOTOQJQBSA-N 2 0 370.463 3.663 20 30 FHEDRP N#Cc1cccc(O[C@H]2CCC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)c1 ZINC001167994496 946902924 /nfs/dbraw/zinc/90/29/24/946902924.db2.gz GPXMCADMEJNGFI-FANLQWHUSA-N 2 0 365.521 3.807 20 30 FHEDRP C=CCOC[C@]12CCCO[C@H]1CC[N@@H+]([C@H](C)CCC[NH+](CC)CC)C2 ZINC001167824236 948105623 /nfs/dbraw/zinc/10/56/23/948105623.db2.gz OABMACSLBJRAJR-QHAWAJNXSA-N 2 0 352.563 3.571 20 30 FHEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C2CCC(C#N)CC2)CC1 ZINC000602543384 567989913 /nfs/dbraw/zinc/98/99/13/567989913.db2.gz CHPRSMOMLUWNCO-LRYGQEGESA-N 2 0 358.505 3.701 20 30 FHEDRP COc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1OCCCC#N ZINC000152688017 935813030 /nfs/dbraw/zinc/81/30/30/935813030.db2.gz YPAXAJCYWLVBOS-UHFFFAOYSA-N 2 0 371.525 3.686 20 30 FHEDRP Cn1cc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000180036630 940299183 /nfs/dbraw/zinc/29/91/83/940299183.db2.gz KVINVQMENHZTOU-UHFFFAOYSA-N 2 0 373.504 3.570 20 30 FHEDRP CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1ccccc1C#N ZINC000549164591 941568527 /nfs/dbraw/zinc/56/85/27/941568527.db2.gz IQPVTSZBWVYUSR-QFIPXVFZSA-N 2 0 363.505 3.827 20 30 FHEDRP C[NH+]1CCC(C)(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000503921305 943410336 /nfs/dbraw/zinc/41/03/36/943410336.db2.gz QCGYYJBCZVRKFB-UHFFFAOYSA-N 2 0 363.505 3.959 20 30 FHEDRP [NH2+]=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccc(C(F)(F)F)cc1 ZINC001167961733 945033503 /nfs/dbraw/zinc/03/35/03/945033503.db2.gz OMGVDTBMFORSCG-ALOPSCKCSA-N 2 0 351.416 3.816 20 30 FHEDRP C[C@@H](C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)C[NH+]1CCCC1 ZINC000237416088 946360872 /nfs/dbraw/zinc/36/08/72/946360872.db2.gz JZOQWNGJEGKMCO-IBGZPJMESA-N 2 0 363.505 3.959 20 30 FHEDRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000066905668 946504550 /nfs/dbraw/zinc/50/45/50/946504550.db2.gz JMVDGQWYOIZRHC-FQEVSTJZSA-N 2 0 363.505 3.959 20 30 FHEDRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000066905667 946505262 /nfs/dbraw/zinc/50/52/62/946505262.db2.gz JMVDGQWYOIZRHC-HXUWFJFHSA-N 2 0 363.505 3.959 20 30 FHEDRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000328699087 946995074 /nfs/dbraw/zinc/99/50/74/946995074.db2.gz VJXQHLGFUMWHPI-SJLPKXTDSA-N 2 0 372.557 3.635 20 30 FHEDRP C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662315169 947747939 /nfs/dbraw/zinc/74/79/39/947747939.db2.gz RKNFIITYAZMJGV-SJLPKXTDSA-N 2 0 361.555 3.743 20 30 FHEDRP C=CCOc1ccccc1C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000512188213 948748753 /nfs/dbraw/zinc/74/87/53/948748753.db2.gz WZTGATMKKZPADO-OALUTQOASA-N 2 0 358.526 3.573 20 30 FHEDRP N#Cc1ccc(CN2CCC([NH2+]C3CC[NH+](C4CCCC4)CC3)CC2)cc1 ZINC000181858314 567966881 /nfs/dbraw/zinc/96/68/81/567966881.db2.gz PSAUYUJNPPEIBF-UHFFFAOYSA-N 2 0 366.553 3.519 20 30 FHEDRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000437157921 945084169 /nfs/dbraw/zinc/08/41/69/945084169.db2.gz YIULVCVLSKPHFE-UHFFFAOYSA-N 2 0 351.441 3.713 20 30 FHEDRP C=CCOc1ccc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1Cl ZINC000237668463 936189020 /nfs/dbraw/zinc/18/90/20/936189020.db2.gz KXKQVMLSGIQOQF-IRXDYDNUSA-N 2 0 366.933 3.884 20 30 FHEDRP CC1CC[NH+](CCCC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000180053240 940339527 /nfs/dbraw/zinc/33/95/27/940339527.db2.gz OTBWEXQTGKWMDO-UHFFFAOYSA-N 2 0 365.525 3.560 20 30 FHEDRP C=CCOc1ccc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1Cl ZINC000415123603 941619060 /nfs/dbraw/zinc/61/90/60/941619060.db2.gz LLQQGTYRWKINFU-YLJYHZDGSA-N 2 0 364.917 3.623 20 30 FHEDRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3ccc(C#N)c(F)c3)cc2)C[C@@H](C)O1 ZINC000421334829 942508289 /nfs/dbraw/zinc/50/82/89/942508289.db2.gz QUGYYKBJSGSFPQ-IAGOWNOFSA-N 2 0 367.468 3.596 20 30 FHEDRP C[C@@H]([NH2+]CC1(N2CC[NH+](C)CC2)CCCCCC1)c1ccc(C#N)s1 ZINC000378454644 942781122 /nfs/dbraw/zinc/78/11/22/942781122.db2.gz QSGKGYUBFGAXIH-QGZVFWFLSA-N 2 0 360.571 3.611 20 30 FHEDRP C=CCN(CC=C)[C@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C ZINC000422828003 943297439 /nfs/dbraw/zinc/29/74/39/943297439.db2.gz FOLNKAGTCXRRDB-XPNTWCBSSA-N 2 0 369.553 3.531 20 30 FHEDRP CC[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000423572161 943560149 /nfs/dbraw/zinc/56/01/49/943560149.db2.gz OAWGFCHRXCMASC-QFIPXVFZSA-N 2 0 362.521 3.592 20 30 FHEDRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000439426710 944597501 /nfs/dbraw/zinc/59/75/01/944597501.db2.gz BTSTWVCKDFUWKT-UHFFFAOYSA-N 2 0 363.933 3.782 20 30 FHEDRP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)[C@@H]3CCC[N@@H+]3C3CC3)c2)CC1 ZINC000330241419 945420604 /nfs/dbraw/zinc/42/06/04/945420604.db2.gz FRHQRTBOUDRLSC-IBGZPJMESA-N 2 0 370.497 3.649 20 30 FHEDRP C[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262037661 945830290 /nfs/dbraw/zinc/83/02/90/945830290.db2.gz QZAQBKASMLUPFM-KBXCAEBGSA-N 2 0 360.864 3.899 20 30 FHEDRP N#Cc1cccc(O[C@@H]2CCC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)c1 ZINC001167994497 946902561 /nfs/dbraw/zinc/90/25/61/946902561.db2.gz GPXMCADMEJNGFI-MXHMCPQYSA-N 2 0 365.521 3.807 20 30 FHEDRP COc1ccc([C@@H](C[NH2+][C@@H](C)CC2(C#N)CCOCC2)N2CCCC2)cc1 ZINC000602507457 567988797 /nfs/dbraw/zinc/98/87/97/567988797.db2.gz JMGMOVXZEMSHKR-GHTZIAJQSA-N 2 0 371.525 3.521 20 30 FHEDRP Cc1cccc(N2CC[NH+](CCCC[NH2+]C3CCC(C#N)CC3)CC2)c1 ZINC000602512256 567989369 /nfs/dbraw/zinc/98/93/69/567989369.db2.gz WUVWKXZALGNPAD-UHFFFAOYSA-N 2 0 354.542 3.569 20 30 FHEDRP COc1ccc([C@H](CCC#N)N[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)cc1 ZINC000365220732 568329794 /nfs/dbraw/zinc/32/97/94/568329794.db2.gz IOAYZNYKGWYRRH-YCZSINBZSA-N 2 0 371.525 3.519 20 30 FHEDRP C=CCOc1ccc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1Cl ZINC000237504311 936095742 /nfs/dbraw/zinc/09/57/42/936095742.db2.gz KXKQVMLSGIQOQF-IAGOWNOFSA-N 2 0 366.933 3.884 20 30 FHEDRP C[NH+]=C(NCc1ccco1)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000103337907 938266649 /nfs/dbraw/zinc/26/66/49/938266649.db2.gz ZWMBDDKUUQTPSB-QGZVFWFLSA-N 2 0 354.498 3.519 20 30 FHEDRP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000728712157 941983268 /nfs/dbraw/zinc/98/32/68/941983268.db2.gz WLGMJLZZMPUSPI-KNQAVFIVSA-N 2 0 363.505 3.979 20 30 FHEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000514091963 942741633 /nfs/dbraw/zinc/74/16/33/942741633.db2.gz AGJCELVLKLSFCG-BGYRXZFFSA-N 2 0 368.569 3.875 20 30 FHEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000436295324 944181079 /nfs/dbraw/zinc/18/10/79/944181079.db2.gz GSIPBJVCNOMUOJ-ZQGJOIPISA-N 2 0 354.538 3.858 20 30 FHEDRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCCC1(C#N)CCOCC1 ZINC000281354399 945602630 /nfs/dbraw/zinc/60/26/30/945602630.db2.gz NIUYMDPHBPCJFJ-PMACEKPBSA-N 2 0 369.553 3.833 20 30 FHEDRP C[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000262037671 945830093 /nfs/dbraw/zinc/83/00/93/945830093.db2.gz QZAQBKASMLUPFM-KDOFPFPSSA-N 2 0 360.864 3.899 20 30 FHEDRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1cccc(F)c1C#N ZINC000428344818 945839638 /nfs/dbraw/zinc/83/96/38/945839638.db2.gz HFPGPLPUBHRFOT-YPGOJHLTSA-N 2 0 351.469 3.944 20 30 FHEDRP Cc1ccc(CNC(Nc2ccccc2)=[NH+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000303987930 946753384 /nfs/dbraw/zinc/75/33/84/946753384.db2.gz JRMCLWKOYLQMDP-FQEVSTJZSA-N 2 0 350.510 3.704 20 30 FHEDRP [NH2+]=C(NCCCC[NH+]1CCC(Cc2ccccc2)CC1)N1CCCCC1 ZINC000304755686 946793988 /nfs/dbraw/zinc/79/39/88/946793988.db2.gz NAGZYSAGJVAKMF-UHFFFAOYSA-N 2 0 356.558 3.522 20 30 FHEDRP COc1cc(C[NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000440608730 947361607 /nfs/dbraw/zinc/36/16/07/947361607.db2.gz FNUKLZLOFMNBEQ-GHTZIAJQSA-N 2 0 363.505 3.957 20 30 FHEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000602665907 568013608 /nfs/dbraw/zinc/01/36/08/568013608.db2.gz DSMMWMHISFKEEU-IRLDBZIGSA-N 2 0 369.553 3.977 20 30 FHEDRP CCCn1ccnc1CCC[N@H+](C)Cc1ncc(-c2ccc(C#N)cc2)o1 ZINC000365404003 568622392 /nfs/dbraw/zinc/62/23/92/568622392.db2.gz DMDJKHOJLZYQJT-UHFFFAOYSA-N 2 0 363.465 3.884 20 30 FHEDRP N#Cc1ccc(CN2CCC([NH2+]Cc3ccc4c(c3)CCCN4)CC2)cc1 ZINC000579581172 930570583 /nfs/dbraw/zinc/57/05/83/930570583.db2.gz NTXUXEFUDHVAEM-UHFFFAOYSA-N 2 0 360.505 3.671 20 30 FHEDRP CC(C)(C#N)c1ccccc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182960167 934520532 /nfs/dbraw/zinc/52/05/32/934520532.db2.gz CUNBEXFDOJSVKN-UHFFFAOYSA-N 2 0 369.553 3.812 20 30 FHEDRP C[C@@H](c1cccc(O)c1)[NH+](C)CC#CC[N@@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000472563113 940822652 /nfs/dbraw/zinc/82/26/52/940822652.db2.gz IRGKRYBNIXOLEF-ROUUACIJSA-N 2 0 352.478 3.787 20 30 FHEDRP C[C@@H](c1ccc(C#N)cc1)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000377264910 941603801 /nfs/dbraw/zinc/60/38/01/941603801.db2.gz BWLAHBQRXBXPCX-IBGZPJMESA-N 2 0 368.569 3.747 20 30 FHEDRP CC[N@H+](Cc1ccc(CN2CCOCC2)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000420898338 942244030 /nfs/dbraw/zinc/24/40/30/942244030.db2.gz COTNJJZUMWUNRF-LJQANCHMSA-N 2 0 363.505 3.974 20 30 FHEDRP C[C@H]([NH2+]CC1(N2CC[NH+](C)CC2)CCCCCC1)c1ccc(C#N)s1 ZINC000378454638 942781512 /nfs/dbraw/zinc/78/15/12/942781512.db2.gz QSGKGYUBFGAXIH-KRWDZBQOSA-N 2 0 360.571 3.611 20 30 FHEDRP C=CCN(CC=C)[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C ZINC000422827998 943297451 /nfs/dbraw/zinc/29/74/51/943297451.db2.gz FOLNKAGTCXRRDB-QZNHQXDQSA-N 2 0 369.553 3.531 20 30 FHEDRP Clc1ccc(C#CC[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1 ZINC000506047647 943795021 /nfs/dbraw/zinc/79/50/21/943795021.db2.gz OCOIJFJGKLHKLB-UHFFFAOYSA-N 2 0 360.929 3.516 20 30 FHEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000436295318 944180639 /nfs/dbraw/zinc/18/06/39/944180639.db2.gz GSIPBJVCNOMUOJ-JLMDMGSGSA-N 2 0 354.538 3.858 20 30 FHEDRP C[C@@H]1C[NH+](CC2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)C[C@@H](C)O1 ZINC000427012079 944996898 /nfs/dbraw/zinc/99/68/98/944996898.db2.gz MLLQHGVBOOOSLH-QZTJIDSGSA-N 2 0 360.929 3.513 20 30 FHEDRP C[C@@H]1CCCN(C(=[NH2+])NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000305667206 946856479 /nfs/dbraw/zinc/85/64/79/946856479.db2.gz IJXTWCAHRRJHTI-DDUZABMNSA-N 2 0 366.912 3.519 20 30 FHEDRP C=CCOC[C@]12CCCO[C@H]1CC[N@@H+]([C@@H](C)CCC[NH+](CC)CC)C2 ZINC001167824224 948104261 /nfs/dbraw/zinc/10/42/61/948104261.db2.gz OABMACSLBJRAJR-PCCBWWKXSA-N 2 0 352.563 3.571 20 30 FHEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000602525129 567987692 /nfs/dbraw/zinc/98/76/92/567987692.db2.gz RJKQJXFBMRLCSC-FPOVZHCZSA-N 2 0 355.526 3.587 20 30 FHEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000602574559 567996499 /nfs/dbraw/zinc/99/64/99/567996499.db2.gz BKDXJAQSBXTRJS-KCZVDYSFSA-N 2 0 369.553 3.976 20 30 FHEDRP [NH2+]=C(NCCCCC[NH+]1CCCCC1)Nc1ccccc1OC(F)(F)F ZINC000160731394 931476251 /nfs/dbraw/zinc/47/62/51/931476251.db2.gz FZDNNGUMFQUWQZ-UHFFFAOYSA-N 2 0 372.435 3.968 20 30 FHEDRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000538508806 934859519 /nfs/dbraw/zinc/85/95/19/934859519.db2.gz FJFIOCQDGBYBHM-HKUYNNGSSA-N 2 0 351.469 3.913 20 30 FHEDRP Cn1cc(C[NH+]2CCC(CCC[NH+](C)C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180205846 940818757 /nfs/dbraw/zinc/81/87/57/940818757.db2.gz PUAMHNQHCZEGDK-UHFFFAOYSA-N 2 0 365.525 3.513 20 30 FHEDRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000189949756 941312676 /nfs/dbraw/zinc/31/26/76/941312676.db2.gz PYALCUBUGBFZOY-IRXDYDNUSA-N 2 0 351.469 3.944 20 30 FHEDRP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421324474 942483029 /nfs/dbraw/zinc/48/30/29/942483029.db2.gz IAGJGHXDIHQEQG-UHFFFAOYSA-N 2 0 355.457 3.708 20 30 FHEDRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(C#N)c(F)c3)cc2)C[C@H](C)O1 ZINC000421334827 942508589 /nfs/dbraw/zinc/50/85/89/942508589.db2.gz QUGYYKBJSGSFPQ-CALCHBBNSA-N 2 0 367.468 3.596 20 30 FHEDRP N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)O1 ZINC000378459836 942793256 /nfs/dbraw/zinc/79/32/56/942793256.db2.gz ZVGPTACZICIPTN-YSFYHYPLSA-N 2 0 353.510 3.612 20 30 FHEDRP C=CCOc1ccccc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422914008 943329071 /nfs/dbraw/zinc/32/90/71/943329071.db2.gz ZPUNNTBXXCIJME-SIKLNZKXSA-N 2 0 350.462 3.597 20 30 FHEDRP COc1ccc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000312746762 944597269 /nfs/dbraw/zinc/59/72/69/944597269.db2.gz VPPGQCUKWCXXOL-OAQYLSRUSA-N 2 0 363.505 3.959 20 30 FHEDRP FC(F)(F)c1ccc(C#CC[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000426996163 944985043 /nfs/dbraw/zinc/98/50/43/944985043.db2.gz XUCIZLATHGNSTA-UHFFFAOYSA-N 2 0 350.428 3.865 20 30 FHEDRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000067507164 946496377 /nfs/dbraw/zinc/49/63/77/946496377.db2.gz OPOAOWGQDQZGSN-JOCHJYFZSA-N 2 0 363.505 3.957 20 30 FHEDRP N#Cc1ccccc1COc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000066905268 946588721 /nfs/dbraw/zinc/58/87/21/946588721.db2.gz KPCNELHBTFRPEF-IBGZPJMESA-N 2 0 361.489 3.711 20 30 FHEDRP N#Cc1ccc(O[C@H]2CCC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)cc1 ZINC001168002100 948210961 /nfs/dbraw/zinc/21/09/61/948210961.db2.gz LTEDDHDTJKZSHC-FANLQWHUSA-N 2 0 365.521 3.807 20 30 FHEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000602544701 567990104 /nfs/dbraw/zinc/99/01/04/567990104.db2.gz JNZXKZFOZHOHKX-BHGTWAMESA-N 2 0 367.537 3.871 20 30 FHEDRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000066905647 568068446 /nfs/dbraw/zinc/06/84/46/568068446.db2.gz GOKKDAUOLZKQDU-FQEVSTJZSA-N 2 0 363.505 3.957 20 30 FHEDRP C[C@@H]1C[NH+](CCCC[NH2+][C@H]2CCCCc3cc(C#N)ccc32)C[C@@H](C)O1 ZINC000481664460 568081063 /nfs/dbraw/zinc/08/10/63/568081063.db2.gz XIKPLECXOYXHPC-HMFYCAOWSA-N 2 0 355.526 3.805 20 30 FHEDRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccc(OC)c(OCCCC#N)c1 ZINC000064613249 931542607 /nfs/dbraw/zinc/54/26/07/931542607.db2.gz VITFHXPEKOLTHE-GOSISDBHSA-N 2 0 361.530 3.978 20 30 FHEDRP C[N@@H+]1CC[C@@H](CNC(=[NH2+])NC2CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000261938304 932493985 /nfs/dbraw/zinc/49/39/85/932493985.db2.gz FZJGUZPFKWJBCT-KBXCAEBGSA-N 2 0 366.912 3.709 20 30 FHEDRP C[N@H+](CCC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000582411699 935672151 /nfs/dbraw/zinc/67/21/51/935672151.db2.gz QCCQJWGTZYEYHZ-UHFFFAOYSA-N 2 0 354.542 3.771 20 30 FHEDRP CC[N@H+](CCC1CC[NH+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1)CC1CC1 ZINC000583937444 938492190 /nfs/dbraw/zinc/49/21/90/938492190.db2.gz NDOYBHNIPVPGMX-UHFFFAOYSA-N 2 0 370.497 3.800 20 30 FHEDRP Clc1cccc(C#CC[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000506023131 945227823 /nfs/dbraw/zinc/22/78/23/945227823.db2.gz SLYMSQUVAAJGTF-UHFFFAOYSA-N 2 0 360.929 3.516 20 30 FHEDRP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177499473 941129861 /nfs/dbraw/zinc/12/98/61/941129861.db2.gz XTHIGNWQNDRFPH-OTWHNJEPSA-N 2 0 355.526 3.831 20 30 FHEDRP C[N@@H+](Cc1cn2ccccc2c1C#N)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501046264 942273622 /nfs/dbraw/zinc/27/36/22/942273622.db2.gz MCPLXKSEYFDBRS-UHFFFAOYSA-N 2 0 359.477 3.554 20 30 FHEDRP C#CCCOc1ccc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000236685682 942987298 /nfs/dbraw/zinc/98/72/98/942987298.db2.gz BURRHFJNDIHXSH-HSZRJFAPSA-N 2 0 362.517 3.743 20 30 FHEDRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000422999725 943360869 /nfs/dbraw/zinc/36/08/69/943360869.db2.gz YHJWFVKTXNHCQG-MTWWTJSRSA-N 2 0 363.505 3.796 20 30 FHEDRP C=CCOc1ccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423099569 943393182 /nfs/dbraw/zinc/39/31/82/943393182.db2.gz FNISYSBJZRPZTC-UNMCSNQZSA-N 2 0 350.462 3.597 20 30 FHEDRP C[N@@H+](Cc1ccc(C#N)cc1Cl)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000439427966 944622956 /nfs/dbraw/zinc/62/29/56/944622956.db2.gz FGDBEPXYRINMNZ-UHFFFAOYSA-N 2 0 354.885 3.955 20 30 FHEDRP C=CC[C@@]1(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CCC[NH2+]1 ZINC000662832437 946084554 /nfs/dbraw/zinc/08/45/54/946084554.db2.gz WLFLHHQJWXBNPA-FQEVSTJZSA-N 2 0 359.539 3.511 20 30 FHEDRP N#Cc1ccc(O[C@@H]2CCC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)cc1 ZINC001168002101 948210591 /nfs/dbraw/zinc/21/05/91/948210591.db2.gz LTEDDHDTJKZSHC-MXHMCPQYSA-N 2 0 365.521 3.807 20 30 FHEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000602525131 567987722 /nfs/dbraw/zinc/98/77/22/567987722.db2.gz RJKQJXFBMRLCSC-PZJWPPBQSA-N 2 0 355.526 3.587 20 30 FHEDRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C[C@@H](C)O1 ZINC000481664462 568083699 /nfs/dbraw/zinc/08/36/99/568083699.db2.gz XIKPLECXOYXHPC-JBYIUTFZSA-N 2 0 355.526 3.805 20 30 FHEDRP C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc(C#N)cc1F ZINC000541915170 568230259 /nfs/dbraw/zinc/23/02/59/568230259.db2.gz BFWFXYCPPULZGZ-JXFKEZNVSA-N 2 0 367.468 3.505 20 30 FHEDRP CC(C)C[N@@H+]1CCC[C@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC000160764416 931565731 /nfs/dbraw/zinc/56/57/31/931565731.db2.gz DWLQSUSVLQYCDB-CQSZACIVSA-N 2 0 372.435 3.680 20 30 FHEDRP [NH2+]=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)Nc1cc(F)ccc1F ZINC000262298964 938251924 /nfs/dbraw/zinc/25/19/24/938251924.db2.gz PQZVYJAEEUPLMY-ZDUSSCGKSA-N 2 0 364.465 3.665 20 30 FHEDRP C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000658034073 939020127 /nfs/dbraw/zinc/02/01/27/939020127.db2.gz GAQIIZXOVCGGQV-RBBKRZOGSA-N 2 0 369.553 3.608 20 30 FHEDRP CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+]CCOc1ccccc1C#N ZINC000549164590 941568455 /nfs/dbraw/zinc/56/84/55/941568455.db2.gz IQPVTSZBWVYUSR-JOCHJYFZSA-N 2 0 363.505 3.827 20 30 FHEDRP C[N@H+](CCCOc1cccc(C#N)c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501045804 942273014 /nfs/dbraw/zinc/27/30/14/942273014.db2.gz KTYJAQCYPFMTCD-UHFFFAOYSA-N 2 0 364.493 3.571 20 30 FHEDRP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]CCc1cccc(C#N)c1)c1ccccc1O2 ZINC000366516016 942488205 /nfs/dbraw/zinc/48/82/05/942488205.db2.gz FFYZFDBBIGXMRI-OAQYLSRUSA-N 2 0 361.489 3.679 20 30 FHEDRP N#CC[C@@H]1C[C@H]2[C@H](CCC[C@@H]2[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)O1 ZINC000378459831 942793121 /nfs/dbraw/zinc/79/31/21/942793121.db2.gz ZVGPTACZICIPTN-CZYKHXBRSA-N 2 0 353.510 3.612 20 30 FHEDRP CC[C@@H](C)NC(=[NH2+])NC[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000303267437 946535375 /nfs/dbraw/zinc/53/53/75/946535375.db2.gz XGXMPEJFYYFIIT-CRAIPNDOSA-N 2 0 356.539 3.550 20 30 FHEDRP C[C@@H]1CCC[N@H+](CCCCNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000303902010 946732756 /nfs/dbraw/zinc/73/27/56/946732756.db2.gz SWDCCTCGYXDZFH-CQSZACIVSA-N 2 0 372.435 3.824 20 30 FHEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000602519869 567987040 /nfs/dbraw/zinc/98/70/40/567987040.db2.gz CDBSTHJQDSOENS-IBGZPJMESA-N 2 0 355.526 3.587 20 30 FHEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000602574562 567996453 /nfs/dbraw/zinc/99/64/53/567996453.db2.gz BKDXJAQSBXTRJS-URVUXULASA-N 2 0 369.553 3.976 20 30 FHEDRP Cc1cc(N2CCN(Cc3ccc(C#N)cc3)CC2)c2cc(F)ccc2[nH+]1 ZINC000481701817 568092344 /nfs/dbraw/zinc/09/23/44/568092344.db2.gz MGWKZEWPWYGGLQ-UHFFFAOYSA-N 2 0 360.436 3.876 20 30 FHEDRP C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3cc(C#N)cs3)cc2)C[C@H](C)O1 ZINC000177683562 930110062 /nfs/dbraw/zinc/11/00/62/930110062.db2.gz WIDKZKGMYVQMIC-HOTGVXAUSA-N 2 0 355.507 3.519 20 30 FHEDRP CC[N@H+](CCC1CC[NH+](Cc2ccc(OC)c(C#N)c2)CC1)CC1CC1 ZINC000536140929 938438991 /nfs/dbraw/zinc/43/89/91/938438991.db2.gz MEWIAUVODVXVJH-UHFFFAOYSA-N 2 0 355.526 3.901 20 30 FHEDRP C=C(C)CN1CCC([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000248416260 938576507 /nfs/dbraw/zinc/57/65/07/938576507.db2.gz PCAHZXMYXJTTMM-MDNUFGMLSA-N 3 0 353.554 3.527 20 30 FHEDRP N#CC1(CCC[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CCOCC1 ZINC000377758815 941965157 /nfs/dbraw/zinc/96/51/57/941965157.db2.gz IRYHSBJPSVQZRF-FGZHOGPDSA-N 2 0 367.537 3.541 20 30 FHEDRP C=CCOc1cccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000507715630 945488707 /nfs/dbraw/zinc/48/87/07/945488707.db2.gz RUOUFVNGEGOYCY-UHFFFAOYSA-N 2 0 358.526 3.576 20 30 FHEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000192832138 946701234 /nfs/dbraw/zinc/70/12/34/946701234.db2.gz IIFVAWGBPJTBEI-LNLFQRSKSA-N 2 0 358.505 3.701 20 30 FHEDRP C[C@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000572921635 937083372 /nfs/dbraw/zinc/08/33/72/937083372.db2.gz SDGRQOOZHXFKJA-MBSDFSHPSA-N 2 0 363.505 3.909 20 30 FHEDRP C=CCCn1cc(C[NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)nn1 ZINC000657354575 935334915 /nfs/dbraw/zinc/33/49/15/935334915.db2.gz SMHOGJUBZPJVLR-UHFFFAOYSA-N 2 0 373.932 3.509 20 30 FHEDRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2cccc(C#N)c2)cc1OC ZINC000048748116 935847712 /nfs/dbraw/zinc/84/77/12/935847712.db2.gz YMBVTSOBXDVVKF-UHFFFAOYSA-N 2 0 367.493 3.577 20 30 FHEDRP C=CCOc1ccc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000657611937 936092284 /nfs/dbraw/zinc/09/22/84/936092284.db2.gz FJDDXISXDICRBS-UHFFFAOYSA-N 2 0 351.494 3.648 20 30 FHEDRP CC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(C#N)cc1 ZINC000278752825 938799428 /nfs/dbraw/zinc/79/94/28/938799428.db2.gz NXURNTPEPGQXLR-DHIUTWEWSA-N 2 0 363.505 3.756 20 30 FHEDRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180053152 940329458 /nfs/dbraw/zinc/32/94/58/940329458.db2.gz RYDYEHYBSRQMOA-SFHVURJKSA-N 2 0 365.525 3.560 20 30 FHEDRP CC[C@H]([NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccc(C#N)cc1 ZINC000376470423 941062862 /nfs/dbraw/zinc/06/28/62/941062862.db2.gz CMZBQVJCYJKBHH-QHCPKHFHSA-N 2 0 368.569 3.795 20 30 FHEDRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000189949774 941312550 /nfs/dbraw/zinc/31/25/50/941312550.db2.gz PYALCUBUGBFZOY-IAGOWNOFSA-N 2 0 351.469 3.944 20 30 FHEDRP CN(CCC#N)c1ccc(C[N@H+](C)C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000377692375 941905497 /nfs/dbraw/zinc/90/54/97/941905497.db2.gz FDDAMWAHNYDRPW-UHFFFAOYSA-N 2 0 363.509 3.532 20 30 FHEDRP N#CC1(CCC[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)CCOCC1 ZINC000377758819 941965332 /nfs/dbraw/zinc/96/53/32/941965332.db2.gz IRYHSBJPSVQZRF-YADHBBJMSA-N 2 0 367.537 3.541 20 30 FHEDRP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2ccc(C#N)c(F)c2)C[C@@H](C)O1 ZINC000421323574 942482097 /nfs/dbraw/zinc/48/20/97/942482097.db2.gz ILIFUWNRHRYNEX-IAGOWNOFSA-N 2 0 367.468 3.596 20 30 FHEDRP C[NH+](C)CCCC1CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000501795767 942680909 /nfs/dbraw/zinc/68/09/09/942680909.db2.gz RYUYZUMSDAXPDD-UHFFFAOYSA-N 2 0 368.443 3.991 20 30 FHEDRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000422999720 943361002 /nfs/dbraw/zinc/36/10/02/943361002.db2.gz YHJWFVKTXNHCQG-BBGBUTGUSA-N 2 0 363.505 3.796 20 30 FHEDRP C=CCOc1ccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423099568 943393430 /nfs/dbraw/zinc/39/34/30/943393430.db2.gz FNISYSBJZRPZTC-RBBKRZOGSA-N 2 0 350.462 3.597 20 30 FHEDRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CCCC1(C#N)CCOCC1 ZINC000281354404 945602735 /nfs/dbraw/zinc/60/27/35/945602735.db2.gz NIUYMDPHBPCJFJ-WOJBJXKFSA-N 2 0 369.553 3.833 20 30 FHEDRP C=C(C)COc1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)ccc1OC ZINC000663347758 947819598 /nfs/dbraw/zinc/81/95/98/947819598.db2.gz UQAHJLOXRWEHIQ-HXUWFJFHSA-N 2 0 358.526 3.862 20 30 FHEDRP N#CCCC[C@H]([NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000601966664 567889212 /nfs/dbraw/zinc/88/92/12/567889212.db2.gz SRUMUEASYKBKOI-XZOQPEGZSA-N 2 0 363.505 3.648 20 30 FHEDRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000062426879 567952176 /nfs/dbraw/zinc/95/21/76/567952176.db2.gz OPOAOWGQDQZGSN-QFIPXVFZSA-N 2 0 363.505 3.957 20 30 FHEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000602519870 567987041 /nfs/dbraw/zinc/98/70/41/567987041.db2.gz CDBSTHJQDSOENS-LJQANCHMSA-N 2 0 355.526 3.587 20 30 FHEDRP CC[NH+](CC)CCOc1ccc(C[NH2+]C2CCC(C#N)CC2)cc1OC ZINC000602520907 567987178 /nfs/dbraw/zinc/98/71/78/567987178.db2.gz NEXYWSFQLYJWKK-UHFFFAOYSA-N 2 0 359.514 3.588 20 30 FHEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000602529320 567988138 /nfs/dbraw/zinc/98/81/38/567988138.db2.gz AVZPHEORALBURH-KRWDZBQOSA-N 2 0 361.555 3.649 20 30 FHEDRP COc1ccc([C@H](C[NH2+][C@H](C)CC2(C#N)CCOCC2)N2CCCC2)cc1 ZINC000602507458 567988778 /nfs/dbraw/zinc/98/87/78/567988778.db2.gz JMGMOVXZEMSHKR-NQIIRXRSSA-N 2 0 371.525 3.521 20 30 FHEDRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(N(C)CCC#N)cc2)c1 ZINC000105449786 935086989 /nfs/dbraw/zinc/08/69/89/935086989.db2.gz SCRLINLTEYPBBI-UHFFFAOYSA-N 2 0 350.510 3.778 20 30 FHEDRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000157392634 938364676 /nfs/dbraw/zinc/36/46/76/938364676.db2.gz QIJVSOYJHZZAAX-AWEZNQCLSA-N 2 0 372.435 3.680 20 30 FHEDRP C[NH+]=C(NC[C@@H]1CC=CCC1)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000262415135 938969356 /nfs/dbraw/zinc/96/93/56/938969356.db2.gz PUTOUVWUZHQLAZ-ZIFCJYIRSA-N 2 0 360.571 3.652 20 30 FHEDRP CCc1ccc(NC(=[NH2+])NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000262470036 938976360 /nfs/dbraw/zinc/97/63/60/938976360.db2.gz OPEKRAIZUIRUMA-UHFFFAOYSA-N 2 0 368.447 3.781 20 30 FHEDRP C[N@H+](CCCOc1cccc(C#N)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000383105253 945247430 /nfs/dbraw/zinc/24/74/30/945247430.db2.gz HDGXMULYRACXQK-QFIPXVFZSA-N 2 0 363.505 3.781 20 30 FHEDRP C[C@H](c1cccc(O)c1)[NH+](C)CC#CC[N@@H+](C)[C@H](C)c1cccc(O)c1 ZINC000472563112 940822574 /nfs/dbraw/zinc/82/25/74/940822574.db2.gz IRGKRYBNIXOLEF-QZTJIDSGSA-N 2 0 352.478 3.787 20 30 FHEDRP C=CCOc1ccc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1Cl ZINC000415123600 941619047 /nfs/dbraw/zinc/61/90/47/941619047.db2.gz LLQQGTYRWKINFU-FXAWDEMLSA-N 2 0 364.917 3.623 20 30 FHEDRP CC[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccc(C#N)cc1 ZINC000290354737 942039945 /nfs/dbraw/zinc/03/99/45/942039945.db2.gz QIAZRLPGJGDIKJ-HXUWFJFHSA-N 2 0 352.482 3.525 20 30 FHEDRP C=CCOc1ccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423099567 943393348 /nfs/dbraw/zinc/39/33/48/943393348.db2.gz FNISYSBJZRPZTC-IRLDBZIGSA-N 2 0 350.462 3.597 20 30 FHEDRP C[NH+]1CCC(C)(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000503932136 943423346 /nfs/dbraw/zinc/42/33/46/943423346.db2.gz UAFBBDIWRWEGQM-UHFFFAOYSA-N 2 0 363.505 3.959 20 30 FHEDRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc(C#N)c(F)c1 ZINC000423468252 943524207 /nfs/dbraw/zinc/52/42/07/943524207.db2.gz JTGSAMNPWLKWIN-HEFCMCLBSA-N 2 0 355.432 3.880 20 30 FHEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000436295320 944180623 /nfs/dbraw/zinc/18/06/23/944180623.db2.gz GSIPBJVCNOMUOJ-KCSJKLDESA-N 2 0 354.538 3.858 20 30 FHEDRP [NH2+]=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)Nc1ccc2c(c1)CCC2 ZINC000262377816 945817186 /nfs/dbraw/zinc/81/71/86/945817186.db2.gz XKJZHUXLPLBYQI-SFHVURJKSA-N 2 0 354.523 3.801 20 30 FHEDRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC2CCC(C#N)CC2)CC1 ZINC000441349318 946503228 /nfs/dbraw/zinc/50/32/28/946503228.db2.gz PFRIYLYNWGLNGA-UHFFFAOYSA-N 2 0 354.542 3.638 20 30 FHEDRP C=CCOC[C@@H]1CCC[C@@]12C[N@H+]([C@@H](C)CCC[NH+](CC)CC)CCO2 ZINC001167823965 948102928 /nfs/dbraw/zinc/10/29/28/948102928.db2.gz FZZYKVMQKDQYII-PCCBWWKXSA-N 2 0 352.563 3.571 20 30 FHEDRP N#CCCC[C@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000601966662 567889142 /nfs/dbraw/zinc/88/91/42/567889142.db2.gz SRUMUEASYKBKOI-GOTSBHOMSA-N 2 0 363.505 3.648 20 30 FHEDRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3cc(C#N)cs3)cc2)C[C@H](C)O1 ZINC000177683549 930110153 /nfs/dbraw/zinc/11/01/53/930110153.db2.gz WIDKZKGMYVQMIC-IYBDPMFKSA-N 2 0 355.507 3.519 20 30 FHEDRP C[C@H]1CCCC[N@@H+]1CCCNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160614723 931069513 /nfs/dbraw/zinc/06/95/13/931069513.db2.gz DTSDTQNPMJNDHE-ZDUSSCGKSA-N 2 0 358.408 3.576 20 30 FHEDRP CC(C)N(CC#CC[N@H+](Cc1ccccn1)C(C)C)Cc1ccccn1 ZINC000580967115 931423339 /nfs/dbraw/zinc/42/33/39/931423339.db2.gz BDQNEYADKUTRJE-UHFFFAOYSA-N 2 0 350.510 3.601 20 30 FHEDRP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000187711082 934856987 /nfs/dbraw/zinc/85/69/87/934856987.db2.gz XEGPDXULHQYSJP-OTWHNJEPSA-N 2 0 355.526 3.831 20 30 FHEDRP COc1cccc(NC(=[NH2+])NCc2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000104162667 935004359 /nfs/dbraw/zinc/00/43/59/935004359.db2.gz GDTBZRCGXBWUGK-UHFFFAOYSA-N 2 0 366.509 3.854 20 30 FHEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000658034069 939020098 /nfs/dbraw/zinc/02/00/98/939020098.db2.gz GAQIIZXOVCGGQV-IFMALSPDSA-N 2 0 369.553 3.608 20 30 FHEDRP C[C@H](C#N)Oc1ccc(C[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000177562182 940278060 /nfs/dbraw/zinc/27/80/60/940278060.db2.gz HYWNTBHITMZFJU-RBUKOAKNSA-N 2 0 351.494 3.978 20 30 FHEDRP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCOc3ccc(C#N)cc3)C2)s1 ZINC000580601243 940482140 /nfs/dbraw/zinc/48/21/40/940482140.db2.gz CZORWRISLHJAMH-LJQANCHMSA-N 2 0 369.534 3.761 20 30 FHEDRP C[C@H](c1cccc(O)c1)[N@H+](C)CC#CC[NH+](C)[C@@H](C)c1cccc(O)c1 ZINC000472562796 940813378 /nfs/dbraw/zinc/81/33/78/940813378.db2.gz IRGKRYBNIXOLEF-HDICACEKSA-N 2 0 352.478 3.787 20 30 FHEDRP C=CCC[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000414309458 940932608 /nfs/dbraw/zinc/93/26/08/940932608.db2.gz RRCJPOQGUDMPJH-HXUWFJFHSA-N 2 0 354.494 3.904 20 30 FHEDRP N#CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000180138046 941353063 /nfs/dbraw/zinc/35/30/63/941353063.db2.gz BGMWCMSWNWIOQD-FRIKZZABSA-N 2 0 361.489 3.874 20 30 FHEDRP COCC[N@H+](C)CCCC1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000501769805 942659042 /nfs/dbraw/zinc/65/90/42/942659042.db2.gz JPLHRXADEHCLIP-UHFFFAOYSA-N 2 0 362.945 3.762 20 30 FHEDRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000281420203 942917996 /nfs/dbraw/zinc/91/79/96/942917996.db2.gz BOSCMTGDIZMESJ-UHFFFAOYSA-N 2 0 369.553 3.931 20 30 FHEDRP C=CCN(CC=C)[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C ZINC000422827995 943297477 /nfs/dbraw/zinc/29/74/77/943297477.db2.gz FOLNKAGTCXRRDB-MQSCRBSSSA-N 2 0 369.553 3.531 20 30 FHEDRP C#CCOc1ccc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000236691738 943409872 /nfs/dbraw/zinc/40/98/72/943409872.db2.gz DORYCUZPBJKUOH-UHFFFAOYSA-N 2 0 354.519 3.762 20 30 FHEDRP N#Cc1ccc(CN2CCC([NH2+][C@@H](CCC[NH3+])c3ccccc3)CC2)cc1 ZINC000423522293 943545532 /nfs/dbraw/zinc/54/55/32/943545532.db2.gz UOKDUPTZRSXANR-QHCPKHFHSA-N 2 0 362.521 3.592 20 30 FHEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000436295322 944181209 /nfs/dbraw/zinc/18/12/09/944181209.db2.gz GSIPBJVCNOMUOJ-YSFPZDHXSA-N 2 0 354.538 3.858 20 30 FHEDRP C[C@H]1C[NH+](CC2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000427012080 944996445 /nfs/dbraw/zinc/99/64/45/944996445.db2.gz MLLQHGVBOOOSLH-ROUUACIJSA-N 2 0 360.929 3.513 20 30 FHEDRP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC000507213822 945045505 /nfs/dbraw/zinc/04/55/05/945045505.db2.gz PNBCSMKUDRRVAG-UHFFFAOYSA-N 2 0 362.521 3.722 20 30 FHEDRP COc1cc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)ccc1C#N ZINC000440609241 947356930 /nfs/dbraw/zinc/35/69/30/947356930.db2.gz DDMXQFOBYDXBNJ-QZTJIDSGSA-N 2 0 363.505 3.813 20 30 FHEDRP COc1cc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000440608733 947362514 /nfs/dbraw/zinc/36/25/14/947362514.db2.gz FNUKLZLOFMNBEQ-WIYYLYMNSA-N 2 0 363.505 3.957 20 30 FHEDRP C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000512069348 948353311 /nfs/dbraw/zinc/35/33/11/948353311.db2.gz WXNMDFLYVQSEAQ-UHFFFAOYSA-N 2 0 374.532 3.888 20 30 FHEDRP N#Cc1ccc2ncc(CNC[C@@H]3CCCC[N@H+](Cc4ccccc4)C3)n2c1 ZINC000569175675 568304660 /nfs/dbraw/zinc/30/46/60/568304660.db2.gz RDVDLNNIXKEQFN-NRFANRHFSA-N 2 0 373.504 3.598 20 30 FHEDRP COc1ccc([C@H](CCC#N)N[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)cc1 ZINC000365220727 568329763 /nfs/dbraw/zinc/32/97/63/568329763.db2.gz IOAYZNYKGWYRRH-CIQXWFTPSA-N 2 0 371.525 3.519 20 30 FHEDRP