smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+](Cc1ccccc1)C1(C[NH3+])CCCCCCC1 ZINC000020553580 171249445 /nfs/dbraw/zinc/24/94/45/171249445.db2.gz MLJGQLAXMUMYMM-UHFFFAOYSA-N 2 0 260.425 3.560 10 0 CHAERP CC[C@H](C)C[C@@](CC)(C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000020556327 171249766 /nfs/dbraw/zinc/24/97/66/171249766.db2.gz GRJNOFZDHXXMNA-RDJZCZTQSA-N 2 0 262.441 3.662 10 0 CHAERP CC(C)C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccccc1 ZINC000020555571 171250060 /nfs/dbraw/zinc/25/00/60/171250060.db2.gz WFEMGUUVYKYUQL-KRWDZBQOSA-N 2 0 276.468 3.951 10 0 CHAERP C[C@H]1CCCC[C@H]1[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000021812235 171329668 /nfs/dbraw/zinc/32/96/68/171329668.db2.gz ZETGRTJIZYRIIM-FUHWJXTLSA-N 2 0 274.452 3.677 10 0 CHAERP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)C12CC3CC(CC(C3)C1)C2 ZINC000021817481 171333266 /nfs/dbraw/zinc/33/32/66/171333266.db2.gz MZNLBXYTBJMEMW-DGTBMVLOSA-N 2 0 292.511 3.769 10 0 CHAERP CC[NH+](CC)CCOc1c2ccccc2ccc1[C@@H](C)[NH3+] ZINC000035427296 172194488 /nfs/dbraw/zinc/19/44/88/172194488.db2.gz APAZSQQUZHPFIW-CQSZACIVSA-N 2 0 286.419 3.580 10 0 CHAERP CC[C@H]1CCCC[C@H]1[NH2+][C@@H](C)C1CC[NH+](CC)CC1 ZINC000037031429 172898950 /nfs/dbraw/zinc/89/89/50/172898950.db2.gz IRRSEUALPWVQOB-YQQAZPJKSA-N 2 0 266.473 3.665 10 0 CHAERP CCCCC[N@H+](Cc1ccc(F)cc1C[NH3+])C(C)C ZINC000071263474 176097066 /nfs/dbraw/zinc/09/70/66/176097066.db2.gz MLJUMGIIJQGJAL-UHFFFAOYSA-N 2 0 266.404 3.685 10 0 CHAERP CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000070169451 260152662 /nfs/dbraw/zinc/15/26/62/260152662.db2.gz OOLVELPYRKSHGK-HNNXBMFYSA-N 2 0 274.452 3.545 10 0 CHAERP CCC[N@@H+](Cc1c(F)cccc1Cl)CC1CC[NH2+]CC1 ZINC000094012006 265208783 /nfs/dbraw/zinc/20/87/83/265208783.db2.gz NJWCFMNOZDYHMD-UHFFFAOYSA-N 2 0 298.833 3.691 10 0 CHAERP Cc1cc(C(C)(C)C)cc(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000094342101 265238493 /nfs/dbraw/zinc/23/84/93/265238493.db2.gz JMUZSJJLAYTFCM-CRAIPNDOSA-N 2 0 288.479 3.770 10 0 CHAERP CC[C@H]([NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000309783438 333049437 /nfs/dbraw/zinc/04/94/37/333049437.db2.gz LTSXXLRKRVSHOG-NEWSRXKRSA-N 2 0 288.479 3.921 10 0 CHAERP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000248062088 334294481 /nfs/dbraw/zinc/29/44/81/334294481.db2.gz LXLNUSWAXWSECQ-DRRXZNNHSA-N 2 0 266.473 3.520 10 0 CHAERP CCC1CCC([N@H+](C)CCC[C@H]2CCCC[NH2+]2)CC1 ZINC000050953432 519853509 /nfs/dbraw/zinc/85/35/09/519853509.db2.gz PFBZSXKGPWPFSL-AQFXKWCLSA-N 2 0 266.473 3.809 10 0 CHAERP CCCCC[N@H+](C)Cc1c2ccccc2oc1C[NH3+] ZINC000052454730 520153008 /nfs/dbraw/zinc/15/30/08/520153008.db2.gz MMSBNJLBVBGKNT-UHFFFAOYSA-N 2 0 260.381 3.514 10 0 CHAERP CC(C)(C)[C@@H]1CC[C@H]([NH3+])[C@H](C[N@@H+]2CCCC2(C)C)C1 ZINC000063073262 518944857 /nfs/dbraw/zinc/94/48/57/518944857.db2.gz ALMRUTWISLVJPO-ZNMIVQPWSA-N 2 0 266.473 3.651 10 0 CHAERP CC(C)C[NH2+]Cc1occc1C[N@H+](C)[C@H](C)C(C)C ZINC000052478664 519748888 /nfs/dbraw/zinc/74/88/88/519748888.db2.gz XQUUSZHWGXZGDL-CQSZACIVSA-N 2 0 266.429 3.502 10 0 CHAERP CC(C)[C@H](C)[N@H+](C)Cc1c2ccccc2sc1C[NH3+] ZINC000052478538 519811816 /nfs/dbraw/zinc/81/18/16/519811816.db2.gz LXNQGQNQIZHCHS-LBPRGKRZSA-N 2 0 276.449 3.836 10 0 CHAERP CC[NH2+]C1CC[NH+]([C@@H](c2cccs2)C(C)C)CC1 ZINC000049557866 519908931 /nfs/dbraw/zinc/90/89/31/519908931.db2.gz QEXSUYKTGUXSLI-OAHLLOKOSA-N 2 0 266.454 3.519 10 0 CHAERP CCC[NH2+]CCCCC[N@H+](C)Cc1ccc(C)cc1 ZINC000052424718 519912521 /nfs/dbraw/zinc/91/25/21/519912521.db2.gz QJWKJYPISCUOKZ-UHFFFAOYSA-N 2 0 262.441 3.597 10 0 CHAERP CCC[NH2+]Cc1ccc(C[N@H+](C)[C@H](C)CCC)cc1 ZINC000052480742 519947060 /nfs/dbraw/zinc/94/70/60/519947060.db2.gz UCBKCQCGYWTBHV-OAHLLOKOSA-N 2 0 262.441 3.807 10 0 CHAERP CCC[NH2+][C@H](C)CCC[NH+]1CCC(C(C)(C)C)CC1 ZINC000050346442 520062531 /nfs/dbraw/zinc/06/25/31/520062531.db2.gz GFWVDCQNQWQJGN-OAHLLOKOSA-N 2 0 268.489 3.913 10 0 CHAERP CCCC[N@H+](CC)Cc1cc(C)c(C[NH2+]C(C)C)o1 ZINC000052418889 520479680 /nfs/dbraw/zinc/47/96/80/520479680.db2.gz GZZLYOBUISLFSW-UHFFFAOYSA-N 2 0 266.429 3.708 10 0 CHAERP CCC(CC)C[N@H+](CC)CCCCC[NH2+]C1CC1 ZINC000052540718 521520982 /nfs/dbraw/zinc/52/09/82/521520982.db2.gz XXYAKMSBBZIUJV-UHFFFAOYSA-N 2 0 254.462 3.667 10 0 CHAERP CCC1(C)CC[NH+](C[C@@H]2C[C@H](C)CC[C@@H]2[NH2+]C)CC1 ZINC000062957034 521678589 /nfs/dbraw/zinc/67/85/89/521678589.db2.gz MMAKARUXFJLAJD-PMPSAXMXSA-N 2 0 266.473 3.523 10 0 CHAERP CCC[N@H+](Cc1cccc(C[NH2+]C(C)C)c1)C(C)C ZINC000052450233 521685625 /nfs/dbraw/zinc/68/56/25/521685625.db2.gz ZZYBHTCHGZDQOA-UHFFFAOYSA-N 2 0 262.441 3.805 10 0 CHAERP CC[C@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1cccs1 ZINC000049529342 522730358 /nfs/dbraw/zinc/73/03/58/522730358.db2.gz SAADMMIPPKJXLQ-OCCSQVGLSA-N 2 0 266.454 3.519 10 0 CHAERP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000049551637 524169948 /nfs/dbraw/zinc/16/99/48/524169948.db2.gz QBQPBRRZTDANJC-ILXRZTDVSA-N 2 0 254.462 3.521 10 0 CHAERP C[C@@H]1CCC[C@H](C)C1[NH2+]Cc1ccccc1C[NH+](C)C ZINC000020562898 171252562 /nfs/dbraw/zinc/25/25/62/171252562.db2.gz PQDZVJUZQCEMQN-MVVMVCHASA-N 2 0 274.452 3.663 10 0 CHAERP CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC(C)(C)C[NH+](C)C ZINC000021501421 171305479 /nfs/dbraw/zinc/30/54/79/171305479.db2.gz HUIKTDDMKMZFBL-PMPSAXMXSA-N 2 0 268.489 3.625 10 0 CHAERP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000021803579 171326726 /nfs/dbraw/zinc/32/67/26/171326726.db2.gz HIMSFAQGEVCELA-GJZGRUSLSA-N 2 0 268.489 3.769 10 0 CHAERP CCC[NH+]1CCC([C@@H](C)[NH2+][C@H](C)CCC(C)C)CC1 ZINC000037220326 173038063 /nfs/dbraw/zinc/03/80/63/173038063.db2.gz BFHBLAIRTBKWTK-HZPDHXFCSA-N 2 0 268.489 3.911 10 0 CHAERP CCCCC[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000038041888 174044654 /nfs/dbraw/zinc/04/46/54/174044654.db2.gz LMHSYPKTBKGCGR-JKSUJKDBSA-N 2 0 254.462 3.667 10 0 CHAERP CC(C)[N@H+](Cc1ccccc1)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000040431886 174260468 /nfs/dbraw/zinc/26/04/68/174260468.db2.gz HVMKFWTUIFKOBB-DLBZAZTESA-N 2 0 260.425 3.557 10 0 CHAERP CC[C@@H]([NH2+][C@@H]1CCCN(CC)C1)c1ccc(C)cc1 ZINC000040502304 260285427 /nfs/dbraw/zinc/28/54/27/260285427.db2.gz KHZQKSKFJFZCCF-IAGOWNOFSA-N 2 0 260.425 3.520 10 0 CHAERP Cc1ccccc1[C@H](C)[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000049856253 328380358 /nfs/dbraw/zinc/38/03/58/328380358.db2.gz PPODYTVMVVTOTQ-JKSUJKDBSA-N 2 0 260.425 3.520 10 0 CHAERP C[C@H]([NH2+][C@@H](c1ccccc1)C(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC000517091679 333092724 /nfs/dbraw/zinc/09/27/24/333092724.db2.gz FOLLFCITQVLQIL-XIRDDKMYSA-N 2 0 274.452 3.752 10 0 CHAERP CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000249385087 334333088 /nfs/dbraw/zinc/33/30/88/334333088.db2.gz YJHKOFHEFLRGLR-OIISXLGYSA-N 2 0 278.484 3.665 10 0 CHAERP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251109676 334356813 /nfs/dbraw/zinc/35/68/13/334356813.db2.gz TUFFKCDQAILSQG-JGGQBBKZSA-N 2 0 280.843 3.850 10 0 CHAERP CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000252419970 334379295 /nfs/dbraw/zinc/37/92/95/334379295.db2.gz XBNCOFTXYQOTFJ-LCGQUYPVSA-N 2 0 278.484 3.662 10 0 CHAERP CC(C)[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000382085355 336081519 /nfs/dbraw/zinc/08/15/19/336081519.db2.gz XEYVHZBVXNYHFH-DSLXNQLJSA-N 2 0 286.463 3.531 10 0 CHAERP CCC[NH2+]Cc1ccoc1C[N@H+](C)[C@@H](C)C(C)(C)C ZINC000052504332 519958096 /nfs/dbraw/zinc/95/80/96/519958096.db2.gz DXFBUUSSYSVPSP-ZDUSSCGKSA-N 2 0 266.429 3.646 10 0 CHAERP CCCCCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]CC)C2 ZINC000054628974 520115184 /nfs/dbraw/zinc/11/51/84/520115184.db2.gz SVHOPSPUAZHCMR-MGNMYUMUSA-N 2 0 266.473 3.950 10 0 CHAERP CCCCC[N@H+](C)Cc1cc(C[NH2+]C(C)C)c(C)o1 ZINC000052454701 520151468 /nfs/dbraw/zinc/15/14/68/520151468.db2.gz XRYMGHSVGSQNQB-UHFFFAOYSA-N 2 0 266.429 3.708 10 0 CHAERP CCCCC[N@H+](C)Cc1ccc(C[NH2+]C2CC2)cc1 ZINC000052454900 520153098 /nfs/dbraw/zinc/15/30/98/520153098.db2.gz OUBZJJWXRZBAED-UHFFFAOYSA-N 2 0 260.425 3.561 10 0 CHAERP CC(C)(C)[NH2+]CCCC[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000052482444 518755258 /nfs/dbraw/zinc/75/52/58/518755258.db2.gz CJPKZMRLYQPQNR-CVEARBPZSA-N 2 0 266.473 3.809 10 0 CHAERP CC(C)C[N@H+](CCCCC[NH2+]C(C)(C)C)C1CC1 ZINC000052515862 519715407 /nfs/dbraw/zinc/71/54/07/519715407.db2.gz DWTOEAGZXGXGDY-UHFFFAOYSA-N 2 0 254.462 3.665 10 0 CHAERP CCCC1(C[NH+]2CCC(C)(CC)CC2)CC[NH2+]CC1 ZINC000062959834 519888819 /nfs/dbraw/zinc/88/88/19/519888819.db2.gz NSNWZGYKDUWUIV-UHFFFAOYSA-N 2 0 266.473 3.668 10 0 CHAERP CCCC1CC[NH+]([C@@H](C)CC[NH2+]C(C)(C)C)CC1 ZINC000052374156 519902540 /nfs/dbraw/zinc/90/25/40/519902540.db2.gz MBAGSLPFVYLJLN-AWEZNQCLSA-N 2 0 254.462 3.665 10 0 CHAERP CC[NH2+]Cc1oc(C[N@H+](C)[C@H](C)C(C)(C)C)cc1C ZINC000052504635 520026666 /nfs/dbraw/zinc/02/66/66/520026666.db2.gz BQXRXSNOMNVXJO-CYBMUJFWSA-N 2 0 266.429 3.564 10 0 CHAERP CCCCC[N@H+](C)Cc1cc(C)c(C[NH2+]CCC)o1 ZINC000052455018 520151636 /nfs/dbraw/zinc/15/16/36/520151636.db2.gz YSNNUMOOWBWZHD-UHFFFAOYSA-N 2 0 266.429 3.710 10 0 CHAERP CCCC[N@H+](CC)Cc1ccccc1C[NH2+]C(C)C ZINC000052418856 520477625 /nfs/dbraw/zinc/47/76/25/520477625.db2.gz XPGHEHGIRMHFBI-UHFFFAOYSA-N 2 0 262.441 3.807 10 0 CHAERP CCC[N@H+](Cc1occc1C[NH2+]CC(C)C)C(C)C ZINC000052450265 521696766 /nfs/dbraw/zinc/69/67/66/521696766.db2.gz QIDSXHTUMMLYNG-UHFFFAOYSA-N 2 0 266.429 3.646 10 0 CHAERP C[C@@H]1CCCC[C@H]1[N@H+](C)CCCC[NH2+]C(C)(C)C ZINC000052546517 524162212 /nfs/dbraw/zinc/16/22/12/524162212.db2.gz GQYRMVWTWZMJTI-HUUCEWRRSA-N 2 0 254.462 3.665 10 0 CHAERP C[C@@H](C1CC[NH+](C[C@@H]2CC=CCC2)CC1)[NH+]1CCCC1 ZINC000019885369 567879655 /nfs/dbraw/zinc/87/96/55/567879655.db2.gz BXQIMIUYSMKPQC-DLBZAZTESA-N 2 0 276.468 3.539 10 0 CHAERP CCC[C@H](c1ccccc1)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000104134085 185904358 /nfs/dbraw/zinc/90/43/58/185904358.db2.gz PVAJQGZLJYQBKS-WMLDXEAASA-N 2 0 260.425 3.587 10 0 CHAERP CCC[NH+]1CCC([C@H](C)[NH2+]CC2(C)CCCC2)CC1 ZINC000104446085 186004968 /nfs/dbraw/zinc/00/49/68/186004968.db2.gz MZHYBYBHYJMPGS-HNNXBMFYSA-N 2 0 266.473 3.667 10 0 CHAERP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1(C)CCCC1 ZINC000104446138 186005476 /nfs/dbraw/zinc/00/54/76/186005476.db2.gz LFTPJYCPPCNMCX-MQVJKMGUSA-N 2 0 264.457 3.562 10 0 CHAERP C[C@@H]([NH2+]Cc1ccccc1C[NH+](C)C)c1cccs1 ZINC000020128618 171015335 /nfs/dbraw/zinc/01/53/35/171015335.db2.gz JFWYCDREPTZAOG-CYBMUJFWSA-N 2 0 274.433 3.661 10 0 CHAERP C[C@@H]([NH2+]Cc1ccccc1C[NH+](C)C)c1ccccc1 ZINC000020128598 171015626 /nfs/dbraw/zinc/01/56/26/171015626.db2.gz HDNQXXGRDZXCJM-OAHLLOKOSA-N 2 0 268.404 3.599 10 0 CHAERP C[C@H](C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1 ZINC000020143453 171029343 /nfs/dbraw/zinc/02/93/43/171029343.db2.gz YNYYHPYJXJSTHG-CQSZACIVSA-N 2 0 274.452 3.689 10 0 CHAERP C[C@@H]1CC(C)(C)C[C@@](C[NH3+])([N@@H+]2CCc3ccccc3C2)C1 ZINC000020552828 171248137 /nfs/dbraw/zinc/24/81/37/171248137.db2.gz LNLOQXIKTZDOKA-BEFAXECRSA-N 2 0 286.463 3.588 10 0 CHAERP C[C@H]1CCC[C@H](C)C1[NH2+]Cc1ccccc1C[NH+](C)C ZINC000020562901 171252754 /nfs/dbraw/zinc/25/27/54/171252754.db2.gz PQDZVJUZQCEMQN-GJZGRUSLSA-N 2 0 274.452 3.663 10 0 CHAERP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCCCc2ccccc21 ZINC000021029018 171291768 /nfs/dbraw/zinc/29/17/68/171291768.db2.gz WJSBUGDVWQXRIA-QGZVFWFLSA-N 2 0 274.452 3.632 10 0 CHAERP CC(C)[C@H]1CC[C@H](C)C[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000021047090 171294597 /nfs/dbraw/zinc/29/45/97/171294597.db2.gz QTACKTQGHNRGKW-KSZLIROESA-N 2 0 280.500 3.913 10 0 CHAERP CC(C)[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CC(C)(C)C[NH+](C)C ZINC000021501423 171305387 /nfs/dbraw/zinc/30/53/87/171305387.db2.gz HUIKTDDMKMZFBL-JYJNAYRXSA-N 2 0 268.489 3.625 10 0 CHAERP CC[NH+](CC)CCC[NH2+][C@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000021506274 171308292 /nfs/dbraw/zinc/30/82/92/171308292.db2.gz XVCIWVUXVJBKHE-BBWFWOEESA-N 2 0 268.489 3.769 10 0 CHAERP CC[C@H]([NH2+][C@@H]1CCCN(CC)C1)c1ccc(C)cc1 ZINC000040502303 260285011 /nfs/dbraw/zinc/28/50/11/260285011.db2.gz KHZQKSKFJFZCCF-SJORKVTESA-N 2 0 260.425 3.520 10 0 CHAERP [NH3+][C@@H]1CCC[C@@H]2CN(Cc3cc(Cl)ccc3Cl)C[C@H]21 ZINC000228471229 262339139 /nfs/dbraw/zinc/33/91/39/262339139.db2.gz AZKJYZSBSYDKBM-WDBKCZKBSA-N 2 0 299.245 3.553 10 0 CHAERP CCC[N@H+](CC1CC[NH2+]CC1)[C@@H](CC)c1ccccc1 ZINC000094011981 265208996 /nfs/dbraw/zinc/20/89/96/265208996.db2.gz QVZQAOJPOYDENH-SFHVURJKSA-N 2 0 274.452 3.849 10 0 CHAERP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000049856221 328380418 /nfs/dbraw/zinc/38/04/18/328380418.db2.gz LGLQMRLJQQDCEN-CJNGLKHVSA-N 2 0 280.843 3.865 10 0 CHAERP C[C@H](c1ccc2ccccc2c1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000093873104 327145825 /nfs/dbraw/zinc/14/58/25/327145825.db2.gz SDDGSTUYRLYKRL-CQSZACIVSA-N 2 0 270.420 3.818 10 0 CHAERP C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000180128123 329211785 /nfs/dbraw/zinc/21/17/85/329211785.db2.gz HBALWEOEQAALMB-XAVZPLJISA-N 2 0 295.430 3.759 10 0 CHAERP C[C@H](C[NH2+][C@H]1C[C@H](C)CC(C)(C)C1)C[NH+]1CCCC1 ZINC000057994352 330380374 /nfs/dbraw/zinc/38/03/74/330380374.db2.gz APROOFNKCOEAMI-XHSDSOJGSA-N 2 0 266.473 3.523 10 0 CHAERP C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1ccc(C(C)(C)C)s1 ZINC000166170860 331306663 /nfs/dbraw/zinc/30/66/63/331306663.db2.gz JEDUNKGCLDNJQC-OCCSQVGLSA-N 2 0 280.481 3.747 10 0 CHAERP C[C@H]([NH3+])[C@@H]1CCCCN1Cc1ccc(C(C)(C)C)s1 ZINC000166170745 331306734 /nfs/dbraw/zinc/30/67/34/331306734.db2.gz JEDUNKGCLDNJQC-JSGCOSHPSA-N 2 0 280.481 3.747 10 0 CHAERP C[C@@H]([NH3+])[C@H]1CCCCN1Cc1ccc(C(C)(C)C)s1 ZINC000166171084 331306760 /nfs/dbraw/zinc/30/67/60/331306760.db2.gz JEDUNKGCLDNJQC-TZMCWYRMSA-N 2 0 280.481 3.747 10 0 CHAERP CCC(C)(C)C1CCC([NH2+][C@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000400321014 331385053 /nfs/dbraw/zinc/38/50/53/331385053.db2.gz BDSJRUUJIMPJJW-QVOMUQBLSA-N 2 0 266.473 3.569 10 0 CHAERP C[C@H]([NH2+][C@H](c1ccccc1)C(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC000517091676 333092629 /nfs/dbraw/zinc/09/26/29/333092629.db2.gz FOLLFCITQVLQIL-BHYGNILZSA-N 2 0 274.452 3.752 10 0 CHAERP CCC[C@H]([NH2+]C[C@@H]1CCCN1C)c1ccc(Cl)cc1 ZINC000222696704 333199000 /nfs/dbraw/zinc/19/90/00/333199000.db2.gz BPAKRAOZCVYJNE-HOTGVXAUSA-N 2 0 280.843 3.865 10 0 CHAERP CC(C)C[N@H+](C(C)C)[C@H](C)CCC[NH2+]C(C)(C)C ZINC000052572633 519707789 /nfs/dbraw/zinc/70/77/89/519707789.db2.gz KOOFWGZMXWBHGB-OAHLLOKOSA-N 2 0 256.478 3.910 10 0 CHAERP CC(C)[NH2+]C[C@@H](C(C)C)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000052482191 519722465 /nfs/dbraw/zinc/72/24/65/519722465.db2.gz PXOCKUINDVAIAB-BBWFWOEESA-N 2 0 266.473 3.521 10 0 CHAERP CC(C)C[NH2+]CCCCC[N@H+](C)[C@H](C)C(C)(C)C ZINC000052504532 519743235 /nfs/dbraw/zinc/74/32/35/519743235.db2.gz YPURPNOESJTFKE-OAHLLOKOSA-N 2 0 256.478 3.769 10 0 CHAERP CCC[NH2+][C@H](CC[NH+]1CCC(C)CC1)C(C)(C)C ZINC000054026953 520073775 /nfs/dbraw/zinc/07/37/75/520073775.db2.gz VGWQKLBUYZARPN-OAHLLOKOSA-N 2 0 254.462 3.523 10 0 CHAERP CCC(CC)[N@H+](C)Cc1cccc(C[NH2+]C(C)C)c1 ZINC000052478021 521542945 /nfs/dbraw/zinc/54/29/45/521542945.db2.gz HMYHTPVZXGOIIW-UHFFFAOYSA-N 2 0 262.441 3.805 10 0 CHAERP CC(C)(C)CC[N@H+](CCC[NH3+])C1CCCCCC1 ZINC000049254369 518647327 /nfs/dbraw/zinc/64/73/27/518647327.db2.gz DIHDTIKMJYTCAT-UHFFFAOYSA-N 2 0 254.462 3.796 10 0 CHAERP CC(C)C[NH2+]C[C@H]1CC[N@@H+](C2CCCCCCC2)C1 ZINC000053011163 519746021 /nfs/dbraw/zinc/74/60/21/519746021.db2.gz UODFFQUAAQECSG-MRXNPFEDSA-N 2 0 266.473 3.667 10 0 CHAERP CCC[NH2+]CCC[C@H](C)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000052482343 519913484 /nfs/dbraw/zinc/91/34/84/519913484.db2.gz ZXMIIILIPKGVIO-YESZJQIVSA-N 2 0 266.473 3.667 10 0 CHAERP CC[NH2+]Cc1ccc(C[N@H+](CC(C)C)C(C)C)cc1 ZINC000052572645 519995484 /nfs/dbraw/zinc/99/54/84/519995484.db2.gz VSWDKGMEOPEIGV-UHFFFAOYSA-N 2 0 262.441 3.663 10 0 CHAERP CCC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1C[N@H+](C)C1CC1 ZINC000054559741 520026494 /nfs/dbraw/zinc/02/64/94/520026494.db2.gz ASLVHXXBCZJJSI-ZMSDIMECSA-N 2 0 266.473 3.521 10 0 CHAERP CCC[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cccs1 ZINC000049544092 520773330 /nfs/dbraw/zinc/77/33/30/520773330.db2.gz ITDSPWNGVNZDQK-CQSZACIVSA-N 2 0 266.454 3.665 10 0 CHAERP CC1CC[NH+](Cc2c3ccccc3sc2C[NH3+])CC1 ZINC000052377046 521021956 /nfs/dbraw/zinc/02/19/56/521021956.db2.gz RYVHGMGPQFTPHD-UHFFFAOYSA-N 2 0 274.433 3.592 10 0 CHAERP CCCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](CCC)C1 ZINC000050887322 521153110 /nfs/dbraw/zinc/15/31/10/521153110.db2.gz REZHNJXDHFTEIE-HRCADAONSA-N 2 0 254.462 3.665 10 0 CHAERP CC[NH+]1CCC([C@@H](C)[NH2+][C@@H](C)c2ccsc2)CC1 ZINC000061361161 521581866 /nfs/dbraw/zinc/58/18/66/521581866.db2.gz AHDGFWBQVCYXLO-OLZOCXBDSA-N 2 0 266.454 3.519 10 0 CHAERP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[N@H+](C)C1)c1cccs1 ZINC000049529332 522735662 /nfs/dbraw/zinc/73/56/62/522735662.db2.gz RRQMZSLJLZZCED-MCIONIFRSA-N 2 0 266.454 3.519 10 0 CHAERP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000049551634 524168841 /nfs/dbraw/zinc/16/88/41/524168841.db2.gz QBQPBRRZTDANJC-QLFBSQMISA-N 2 0 254.462 3.521 10 0 CHAERP Cc1ccc(C[N@@H+](C)[C@H](C)CCC[NH2+]C(C)C)cc1 ZINC000052424703 524402156 /nfs/dbraw/zinc/40/21/56/524402156.db2.gz UXHJTLFFLNBPBU-MRXNPFEDSA-N 2 0 262.441 3.594 10 0 CHAERP C[C@@H]1C[C@@H](C)C[NH+](CCCCC[NH2+]C(C)(C)C)C1 ZINC000052420824 525208488 /nfs/dbraw/zinc/20/84/88/525208488.db2.gz AKQUPKITAKWCBB-HUUCEWRRSA-N 2 0 254.462 3.523 10 0 CHAERP CC[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(Cl)cc1 ZINC000020545731 171243634 /nfs/dbraw/zinc/24/36/34/171243634.db2.gz MSAIQHZQABNGHG-HNNXBMFYSA-N 2 0 282.859 3.969 10 0 CHAERP CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000021500773 171305347 /nfs/dbraw/zinc/30/53/47/171305347.db2.gz JCSMDAODWUTVQV-JKSUJKDBSA-N 2 0 266.473 3.667 10 0 CHAERP CC[NH+](CC)CCC[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000021506272 171308253 /nfs/dbraw/zinc/30/82/53/171308253.db2.gz XVCIWVUXVJBKHE-GVDBMIGSSA-N 2 0 268.489 3.769 10 0 CHAERP CCC[NH+]1CCC([C@@H](C)[NH2+][C@@H]2CCCC[C@@H]2C)CC1 ZINC000037210022 173031604 /nfs/dbraw/zinc/03/16/04/173031604.db2.gz OQVOCGBXOHMFKO-ZMSDIMECSA-N 2 0 266.473 3.665 10 0 CHAERP CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]CCC2=CCCCC2)C1 ZINC000037219872 173037599 /nfs/dbraw/zinc/03/75/99/173037599.db2.gz QYBZNCCVFKWWRY-NVXWUHKLSA-N 2 0 264.457 3.587 10 0 CHAERP CC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]CCC2=CCCCC2)C1 ZINC000037219870 173037966 /nfs/dbraw/zinc/03/79/66/173037966.db2.gz QYBZNCCVFKWWRY-WBVHZDCISA-N 2 0 264.457 3.587 10 0 CHAERP CCC[NH+]1CCC([C@@H](C)[NH2+]CCCC(C)C)CC1 ZINC000038093585 174107283 /nfs/dbraw/zinc/10/72/83/174107283.db2.gz RGMMQKKTEQUHQR-OAHLLOKOSA-N 2 0 254.462 3.523 10 0 CHAERP CCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180104531 260093561 /nfs/dbraw/zinc/09/35/61/260093561.db2.gz YPADHFXOSZESHC-YQQQUEKLSA-N 2 0 286.463 3.962 10 0 CHAERP CC[NH+](CC)CCC[C@H](C)[NH2+]CC1CCC(C)CC1 ZINC000089575518 260188666 /nfs/dbraw/zinc/18/86/66/260188666.db2.gz VINOLNHNCNJNHN-CGZBRXJRSA-N 2 0 268.489 3.913 10 0 CHAERP CC(C)[N@H+](C)CCC[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000221790271 262296910 /nfs/dbraw/zinc/29/69/10/262296910.db2.gz ULSJPSOYJNHICZ-CABCVRRESA-N 2 0 254.462 3.521 10 0 CHAERP CC(C)(C)c1ccc(CN2CC[C@@H]([NH3+])C(C)(C)C2)s1 ZINC000261572983 327384382 /nfs/dbraw/zinc/38/43/82/327384382.db2.gz ALQQNBOFCPMDKW-CYBMUJFWSA-N 2 0 280.481 3.605 10 0 CHAERP C[C@H]([NH2+][C@@H](c1ccccc1)C(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC000517091677 333092670 /nfs/dbraw/zinc/09/26/70/333092670.db2.gz FOLLFCITQVLQIL-UAGQMJEPSA-N 2 0 274.452 3.752 10 0 CHAERP C[C@H]([NH2+][C@@H]1C=CCCC1)c1cccc(-n2ccnc2)c1 ZINC000189895518 333200044 /nfs/dbraw/zinc/20/00/44/333200044.db2.gz RPFWJLMCUBMGBG-GOEBONIOSA-N 2 0 267.376 3.632 10 0 CHAERP CC(C)[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccccc1Cl ZINC000091335724 334376439 /nfs/dbraw/zinc/37/64/39/334376439.db2.gz PYKXMUYGXVAXJC-RHSMWYFYSA-N 2 0 294.870 3.969 10 0 CHAERP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252840200 334396331 /nfs/dbraw/zinc/39/63/31/334396331.db2.gz BLUQLRQXWHBRED-QSPRXWTASA-N 2 0 292.854 3.850 10 0 CHAERP CC(C)[NH2+]CCC[C@@H](C)[N@H+](Cc1ccsc1)C1CC1 ZINC000052542086 519720926 /nfs/dbraw/zinc/72/09/26/519720926.db2.gz NBVVUXRDNQUYRT-CQSZACIVSA-N 2 0 280.481 3.879 10 0 CHAERP CC[C@H](C1CCCCC1)[N@H+]1CC[C@@H](C)[NH2+][C@@H](C)CC1 ZINC000052342495 522086576 /nfs/dbraw/zinc/08/65/76/522086576.db2.gz BWNWRNAXCOWPNM-HLLBOEOZSA-N 2 0 266.473 3.808 10 0 CHAERP CC[N@H+](Cc1cc(C[NH2+]C(C)(C)C)oc1C)C(C)C ZINC000052447052 521290185 /nfs/dbraw/zinc/29/01/85/521290185.db2.gz NINIIMKCZXRMHR-UHFFFAOYSA-N 2 0 266.429 3.706 10 0 CHAERP CCC[NH+](CCC)Cc1occc1C[NH2+]CC(C)C ZINC000052416737 521649297 /nfs/dbraw/zinc/64/92/97/521649297.db2.gz JIDYAZCBRYUAIT-UHFFFAOYSA-N 2 0 266.429 3.647 10 0 CHAERP C[NH2+]Cc1ccccc1C[N@H+](C)[C@H](C)c1cccs1 ZINC000052506982 522133152 /nfs/dbraw/zinc/13/31/52/522133152.db2.gz DGJODFVJDDYANF-CYBMUJFWSA-N 2 0 274.433 3.661 10 0 CHAERP CC[C@H](C[NH2+]C(C)(C)C)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000052482229 522190399 /nfs/dbraw/zinc/19/03/99/522190399.db2.gz FYCPXOHQCZPMDW-ARFHVFGLSA-N 2 0 266.473 3.665 10 0 CHAERP CC[C@@](C)(C[NH2+]C(C)(C)C)C[NH+]1CCC(C)(C)CC1 ZINC000061822387 523640578 /nfs/dbraw/zinc/64/05/78/523640578.db2.gz GJDKBCCEQRBOBV-KRWDZBQOSA-N 2 0 268.489 3.913 10 0 CHAERP Cc1ccc(C[N@@H+](C)[C@@H](C)CCC[NH2+]C(C)C)cc1 ZINC000052424701 524399173 /nfs/dbraw/zinc/39/91/73/524399173.db2.gz UXHJTLFFLNBPBU-INIZCTEOSA-N 2 0 262.441 3.594 10 0 CHAERP C[C@H]1C[C@H](C)C[NH+](CCCCC[NH2+]C(C)(C)C)C1 ZINC000052420823 524882703 /nfs/dbraw/zinc/88/27/03/524882703.db2.gz AKQUPKITAKWCBB-GJZGRUSLSA-N 2 0 254.462 3.523 10 0 CHAERP CC[C@H](c1ccc(C)cc1)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000104131629 185902305 /nfs/dbraw/zinc/90/23/05/185902305.db2.gz ZPYPSBVITOURJJ-WMLDXEAASA-N 2 0 260.425 3.505 10 0 CHAERP C[C@@H](C[NH2+]Cc1ccccc1C[NH+](C)C)c1ccccc1 ZINC000020128667 171015085 /nfs/dbraw/zinc/01/50/85/171015085.db2.gz FZMHDJXLDSLQKO-INIZCTEOSA-N 2 0 282.431 3.642 10 0 CHAERP CC[C@H](C)C[C@](CC)(C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000021814386 171331619 /nfs/dbraw/zinc/33/16/19/171331619.db2.gz HSSWDHIDKXJORU-MAUKXSAKSA-N 2 0 274.452 3.588 10 0 CHAERP CCC1CCC(C[NH3+])([N@H+](C)Cc2ccc(C)cc2)CC1 ZINC000021820055 171334084 /nfs/dbraw/zinc/33/40/84/171334084.db2.gz NOSNJUYEBHFTGR-UHFFFAOYSA-N 2 0 274.452 3.725 10 0 CHAERP CC(C)[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cccs1 ZINC000037229286 173048619 /nfs/dbraw/zinc/04/86/19/173048619.db2.gz ARMXQIOSEVJPSQ-MRXNPFEDSA-N 2 0 280.481 3.911 10 0 CHAERP C[C@@H](NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1c(F)cccc1F ZINC000088163950 327016632 /nfs/dbraw/zinc/01/66/32/327016632.db2.gz DTKVXJLJAXXWES-RLAWYHOSSA-N 2 0 294.389 3.631 10 0 CHAERP Cc1cc(C(C)(C)C)cc(C)c1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000228073834 333294343 /nfs/dbraw/zinc/29/43/43/333294343.db2.gz OCDRWSUSDOTSGE-HZPDHXFCSA-N 2 0 288.479 3.770 10 0 CHAERP CC(C)(C)[C@@H]1CCC[N@H+](CCC2CC[NH2+]CC2)CC1 ZINC000079344974 334151999 /nfs/dbraw/zinc/15/19/99/334151999.db2.gz XFJXOLUOIKRYEB-MRXNPFEDSA-N 2 0 266.473 3.524 10 0 CHAERP CC[C@H]1CC[C@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)C1 ZINC000080426614 334171286 /nfs/dbraw/zinc/17/12/86/334171286.db2.gz URIXOZXEBNSAFL-WMZOPIPTSA-N 2 0 274.452 3.677 10 0 CHAERP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)C1 ZINC000250699490 334348918 /nfs/dbraw/zinc/34/89/18/334348918.db2.gz NMMNPHPFCPUCTR-PMPSAXMXSA-N 2 0 266.473 3.523 10 0 CHAERP CCC(CC)[N@H+](C)Cc1c2ccccc2oc1C[NH3+] ZINC000052478067 521541615 /nfs/dbraw/zinc/54/16/15/521541615.db2.gz IOELRGDCVDVXQB-UHFFFAOYSA-N 2 0 260.381 3.512 10 0 CHAERP CC(C)C[NH2+]CCC[C@H](C)[N@H+](C)Cc1ccsc1 ZINC000052457338 519743673 /nfs/dbraw/zinc/74/36/73/519743673.db2.gz WBGGMOQQSVPYCV-AWEZNQCLSA-N 2 0 268.470 3.594 10 0 CHAERP CC(C)C[NH2+]CC[C@H](C)[NH+](CC(C)C)CC(C)C ZINC000052485106 519744133 /nfs/dbraw/zinc/74/41/33/519744133.db2.gz ZRDNFZSWOOUAEV-INIZCTEOSA-N 2 0 256.478 3.625 10 0 CHAERP CC(C)C[NH2+]C[C@H](C)C[N@H+](C)C1CCCCCC1 ZINC000052482014 519745879 /nfs/dbraw/zinc/74/58/79/519745879.db2.gz JLKYMULUXAGTQA-HNNXBMFYSA-N 2 0 254.462 3.523 10 0 CHAERP CCC[NH2+]Cc1ccc(C[N@H+](C)[C@@H](C)CCC)cc1 ZINC000052480743 519946754 /nfs/dbraw/zinc/94/67/54/519946754.db2.gz UCBKCQCGYWTBHV-HNNXBMFYSA-N 2 0 262.441 3.807 10 0 CHAERP CCCCCC[C@H](C)[NH+]1CCC([NH2+]CCC)CC1 ZINC000049216690 520126785 /nfs/dbraw/zinc/12/67/85/520126785.db2.gz OESNMGZEFPSZDZ-HNNXBMFYSA-N 2 0 254.462 3.809 10 0 CHAERP C[N@H+](CCC[C@@H]1CCCC[NH2+]1)Cc1ccccc1Cl ZINC000050953072 522786498 /nfs/dbraw/zinc/78/64/98/522786498.db2.gz CINQISDKPAXABB-HNNXBMFYSA-N 2 0 280.843 3.694 10 0 CHAERP C[C@H]([NH3+])C1CC[NH+]([C@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000104136502 185904845 /nfs/dbraw/zinc/90/48/45/185904845.db2.gz ROFAEBSSRHIGII-BPUTZDHNSA-N 2 0 266.473 3.651 10 0 CHAERP CCCCC[NH2+]Cc1ccccc1C[NH+](CC)CC ZINC000020546918 171244528 /nfs/dbraw/zinc/24/45/28/171244528.db2.gz DAQYTYZOHOYZEF-UHFFFAOYSA-N 2 0 262.441 3.808 10 0 CHAERP CC[NH+](CC)CCC[NH2+][C@@H](C)c1c(C)cc(C)cc1C ZINC000020556912 171250325 /nfs/dbraw/zinc/25/03/25/171250325.db2.gz YPKSAAHVHHPPCP-KRWDZBQOSA-N 2 0 276.468 3.994 10 0 CHAERP CC(C)[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000021047081 171294468 /nfs/dbraw/zinc/29/44/68/171294468.db2.gz QTACKTQGHNRGKW-BZSNNMDCSA-N 2 0 280.500 3.913 10 0 CHAERP [NH3+][C@H]1CCCCCCCCCC[C@H]1[NH+]1CCCC1 ZINC000021511250 171310568 /nfs/dbraw/zinc/31/05/68/171310568.db2.gz RJUMBKUDPZXRPG-JKSUJKDBSA-N 2 0 252.446 3.693 10 0 CHAERP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000021803581 171326892 /nfs/dbraw/zinc/32/68/92/171326892.db2.gz HIMSFAQGEVCELA-HUUCEWRRSA-N 2 0 268.489 3.769 10 0 CHAERP Cc1cc(NC[C@@H](C)[NH+]2CCCCC2)c2ccccc2[nH+]1 ZINC000038029282 174019180 /nfs/dbraw/zinc/01/91/80/174019180.db2.gz CIRAVBDQCKQMGC-OAHLLOKOSA-N 2 0 283.419 3.830 10 0 CHAERP CC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCCCC1)c1ccccc1 ZINC000038041817 174043691 /nfs/dbraw/zinc/04/36/91/174043691.db2.gz KGURAGARTCIECH-SJLPKXTDSA-N 2 0 274.452 3.849 10 0 CHAERP C[C@H](C[NH2+][C@@H]1CCCc2ccccc21)C[NH+]1CCCCC1 ZINC000038041875 174043998 /nfs/dbraw/zinc/04/39/98/174043998.db2.gz XJFMPAJCQUBECA-VQIMIIECSA-N 2 0 286.463 3.776 10 0 CHAERP CC(C)CC[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000038041868 174044384 /nfs/dbraw/zinc/04/43/84/174044384.db2.gz WOWXUNSHIWGPQS-JKSUJKDBSA-N 2 0 254.462 3.523 10 0 CHAERP CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]CCCC(C)C)C1 ZINC000038093579 174107395 /nfs/dbraw/zinc/10/73/95/174107395.db2.gz SPOUNXKJVPBDDH-CVEARBPZSA-N 2 0 254.462 3.523 10 0 CHAERP C[C@@H]1C[N@H+](CC2CCC(C(C)(C)C)CC2)CC[C@H]1[NH3+] ZINC000252684167 327025258 /nfs/dbraw/zinc/02/52/58/327025258.db2.gz GADBGPVIYYMZDA-PRLABOORSA-N 2 0 266.473 3.508 10 0 CHAERP CC(C)(C)c1ccc(CN2CC[C@H]([NH3+])C(C)(C)C2)s1 ZINC000261572984 327384508 /nfs/dbraw/zinc/38/45/08/327384508.db2.gz ALQQNBOFCPMDKW-ZDUSSCGKSA-N 2 0 280.481 3.605 10 0 CHAERP Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1coc2ccccc12 ZINC000180123534 329211849 /nfs/dbraw/zinc/21/18/49/329211849.db2.gz SCRLROJGQOPTBZ-MRXNPFEDSA-N 2 0 295.386 3.602 10 0 CHAERP CC(C)c1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422687624 330150912 /nfs/dbraw/zinc/15/09/12/330150912.db2.gz BOXMLVBJYRNZKQ-BXEVVDMOSA-N 2 0 272.436 3.744 10 0 CHAERP CC[C@H]1CC[C@@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)C1 ZINC000080426619 334171328 /nfs/dbraw/zinc/17/13/28/334171328.db2.gz URIXOZXEBNSAFL-FUHWJXTLSA-N 2 0 274.452 3.677 10 0 CHAERP Cc1cccc([C@H](C)[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000247489803 334282765 /nfs/dbraw/zinc/28/27/65/334282765.db2.gz KWDFXHRGSIQMFP-IRXDYDNUSA-N 2 0 295.430 3.885 10 0 CHAERP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)c2ccc(C(C)(C)C)cc2)C1 ZINC000251494712 334362246 /nfs/dbraw/zinc/36/22/46/334362246.db2.gz JOOQYDVCIVPLTJ-CVEARBPZSA-N 2 0 288.479 3.977 10 0 CHAERP CC1(C)CC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000381894809 336076248 /nfs/dbraw/zinc/07/62/48/336076248.db2.gz FTETWKFSRSQAJN-OKYOBFRVSA-N 2 0 298.474 3.675 10 0 CHAERP CC(C)[NH2+]Cc1occc1C[NH+]1CCCCCCC1 ZINC000052424960 519730201 /nfs/dbraw/zinc/73/02/01/519730201.db2.gz OHUFTCRQGVTVQF-UHFFFAOYSA-N 2 0 264.413 3.544 10 0 CHAERP CCC[N@H+](Cc1occc1C[NH2+]C(C)(C)C)C1CC1 ZINC000052448934 521696380 /nfs/dbraw/zinc/69/63/80/521696380.db2.gz FKMKMKJQHUZSFL-UHFFFAOYSA-N 2 0 264.413 3.542 10 0 CHAERP CC(C)C[NH2+]CC[C@@H](C)[NH+](CC(C)C)CC(C)C ZINC000052485104 519744268 /nfs/dbraw/zinc/74/42/68/519744268.db2.gz ZRDNFZSWOOUAEV-MRXNPFEDSA-N 2 0 256.478 3.625 10 0 CHAERP CCC[NH2+]CCCC[NH+]1CCC(C(C)(C)C)CC1 ZINC000052373550 519912368 /nfs/dbraw/zinc/91/23/68/519912368.db2.gz GDULJNUWBWBRSP-UHFFFAOYSA-N 2 0 254.462 3.524 10 0 CHAERP CC[C@@H]1CCC[N@@H+]([C@@H](C)CCC[NH2+]CC(C)C)C1 ZINC000052479829 523253325 /nfs/dbraw/zinc/25/33/25/523253325.db2.gz AXAYOEQOWRHIFU-JKSUJKDBSA-N 2 0 254.462 3.523 10 0 CHAERP Cc1oc(C[N@@H+](C)CC(C)C)cc1C[NH2+]C(C)(C)C ZINC000052452582 526769842 /nfs/dbraw/zinc/76/98/42/526769842.db2.gz BADXTLSXLZEPTF-UHFFFAOYSA-N 2 0 266.429 3.564 10 0 CHAERP CCC[N@@H+]1CC[C@H]([NH3+])C12CCC(C(C)(C)CC)CC2 ZINC000712032408 567836759 /nfs/dbraw/zinc/83/67/59/567836759.db2.gz OXVCIPZSQDDLGC-CKDBGZEDSA-N 2 0 266.473 3.795 10 0 CHAERP C[C@@H](C1CC[NH+](C[C@H]2CC=CCC2)CC1)[NH+]1CCCC1 ZINC000019885365 567879472 /nfs/dbraw/zinc/87/94/72/567879472.db2.gz BXQIMIUYSMKPQC-IRXDYDNUSA-N 2 0 276.468 3.539 10 0 CHAERP CC(C)CC(CC(C)C)[NH2+]CCC[NH+]1CCCCC1 ZINC000020558084 171250785 /nfs/dbraw/zinc/25/07/85/171250785.db2.gz IAUPHTJEDPSARJ-UHFFFAOYSA-N 2 0 268.489 3.913 10 0 CHAERP CC[C@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000038041822 174042964 /nfs/dbraw/zinc/04/29/64/174042964.db2.gz OTNYTRFWHQOIDR-YJBOKZPZSA-N 2 0 292.442 3.988 10 0 CHAERP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cccc2ccccc21 ZINC000128458503 260375536 /nfs/dbraw/zinc/37/55/36/260375536.db2.gz ZZGQXSLMUDPIQN-SFHVURJKSA-N 2 0 270.420 3.645 10 0 CHAERP Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCC[N@@H+]2C)cc1F ZINC000094955364 265278731 /nfs/dbraw/zinc/27/87/31/265278731.db2.gz JVRMJRNIYQRYIZ-ZBFHGGJFSA-N 2 0 278.415 3.659 10 0 CHAERP C[C@@H]1C[N@H+](CC2CCC(C(C)(C)C)CC2)CC[C@@H]1[NH3+] ZINC000135296217 334124272 /nfs/dbraw/zinc/12/42/72/334124272.db2.gz GADBGPVIYYMZDA-LMPOIIKSSA-N 2 0 266.473 3.508 10 0 CHAERP CC(C)(C)[C@H]1CCC[N@H+](CCC2CC[NH2+]CC2)CC1 ZINC000079344978 334152034 /nfs/dbraw/zinc/15/20/34/334152034.db2.gz XFJXOLUOIKRYEB-INIZCTEOSA-N 2 0 266.473 3.524 10 0 CHAERP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)c1 ZINC000251142779 334357063 /nfs/dbraw/zinc/35/70/63/334357063.db2.gz DLTXSKYDPJPSAN-ULQDDVLXSA-N 2 0 272.436 3.581 10 0 CHAERP CC(C)[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000052346422 519722336 /nfs/dbraw/zinc/72/23/36/519722336.db2.gz LDBGTUXUTUPHJO-CYBMUJFWSA-N 2 0 268.832 3.548 10 0 CHAERP CC(C)(C)[NH2+]CCCC[N@H+](Cc1ccsc1)C1CC1 ZINC000052541919 518754660 /nfs/dbraw/zinc/75/46/60/518754660.db2.gz XONYVXRHFRTGBZ-UHFFFAOYSA-N 2 0 280.481 3.881 10 0 CHAERP CC(C)(C)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000052421283 518764882 /nfs/dbraw/zinc/76/48/82/518764882.db2.gz XJPSMDAEXGYZEI-UHFFFAOYSA-N 2 0 260.425 3.561 10 0 CHAERP CC(C)[NH2+]Cc1ccccc1C[N@H+](C)C1CCCC1 ZINC000052445017 519727736 /nfs/dbraw/zinc/72/77/36/519727736.db2.gz XOVQIWROWHHHDP-UHFFFAOYSA-N 2 0 260.425 3.559 10 0 CHAERP CC(C)C[NH2+]CC[C@H](C)[N@H+](C)C1CCC(C)CC1 ZINC000052345495 519744164 /nfs/dbraw/zinc/74/41/64/519744164.db2.gz MPXNBRKEAHVEEU-PCKAHOCUSA-N 2 0 254.462 3.521 10 0 CHAERP CC(C)C[NH2+]C[C@@H](C)C[N@H+](C)[C@@H](C)c1cccs1 ZINC000052506530 519744388 /nfs/dbraw/zinc/74/43/88/519744388.db2.gz HOVZQTZRJFZGDP-KGLIPLIRSA-N 2 0 268.470 3.623 10 0 CHAERP CCCCC1CCC(C[NH2+]CCC[NH+](C)C)CC1 ZINC000062435079 519919624 /nfs/dbraw/zinc/91/96/24/519919624.db2.gz OWXOXJOSDOQEJL-UHFFFAOYSA-N 2 0 254.462 3.524 10 0 CHAERP CC[NH2+]CCC[C@H](C)[N@H+](Cc1cccs1)C(C)C ZINC000052545009 519919753 /nfs/dbraw/zinc/91/97/53/519919753.db2.gz BRFSTVDFBMBLNN-AWEZNQCLSA-N 2 0 268.470 3.737 10 0 CHAERP CCC[NH2+]Cc1ccoc1C[N@H+](C)[C@@H](C)CC(C)C ZINC000052571834 519960348 /nfs/dbraw/zinc/96/03/48/519960348.db2.gz MRNAIHJWFHJWJG-AWEZNQCLSA-N 2 0 266.429 3.646 10 0 CHAERP CC[NH2+]Cc1ccccc1C[NH+]1CCCCCCC1 ZINC000052425121 520006187 /nfs/dbraw/zinc/00/61/87/520006187.db2.gz FGSUJRBPVBGHRL-UHFFFAOYSA-N 2 0 260.425 3.562 10 0 CHAERP CC[N@H+]([C@H](C)CC[NH2+]CC(C)C)C1CCCCC1 ZINC000052420178 521476708 /nfs/dbraw/zinc/47/67/08/521476708.db2.gz VJDCPONJDGJGCK-OAHLLOKOSA-N 2 0 254.462 3.665 10 0 CHAERP CCC[N@H+](CC)Cc1cccc(C[NH2+]C(C)(C)C)c1 ZINC000052448222 521615245 /nfs/dbraw/zinc/61/52/45/521615245.db2.gz SVVDMDGNLYQPLA-UHFFFAOYSA-N 2 0 262.441 3.807 10 0 CHAERP CC[C@@H]1CC[C@H]([NH2+]C)[C@H](C[NH+]2CCC(C)(C)CC2)C1 ZINC000061822458 523368835 /nfs/dbraw/zinc/36/88/35/523368835.db2.gz MHCIIHFAZIEKFP-PMPSAXMXSA-N 2 0 266.473 3.523 10 0 CHAERP C[N@H+]([C@H](CC[NH3+])c1ccccc1)C1CCCCCC1 ZINC000055016171 523626635 /nfs/dbraw/zinc/62/66/35/523626635.db2.gz IYMRQXJOINBTCH-QGZVFWFLSA-N 2 0 260.425 3.731 10 0 CHAERP CC[C@@]1(C[N@H+](Cc2cccs2)C(C)C)CCC[NH2+]C1 ZINC000062862598 523734563 /nfs/dbraw/zinc/73/45/63/523734563.db2.gz VMOGWXRTARSAAQ-MRXNPFEDSA-N 2 0 280.481 3.738 10 0 CHAERP C[C@@H](CCC[NH2+]C1CC1)[N@H+](C)[C@@H](C)c1cccs1 ZINC000052506851 524458304 /nfs/dbraw/zinc/45/83/04/524458304.db2.gz BDTNZQWPTBUJON-STQMWFEESA-N 2 0 266.454 3.662 10 0 CHAERP C[C@@H](CC[NH2+]C(C)(C)C)[N@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000052514255 524496449 /nfs/dbraw/zinc/49/64/49/524496449.db2.gz NMODFROKYYEWTL-ILXRZTDVSA-N 2 0 254.462 3.664 10 0 CHAERP C[C@H]1CCCC[N@@H+]1Cc1c2ccccc2sc1C[NH3+] ZINC000052378871 526251829 /nfs/dbraw/zinc/25/18/29/526251829.db2.gz BXRHYMKSLOYHNF-LBPRGKRZSA-N 2 0 274.433 3.734 10 0 CHAERP CC(C)C[NH+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(C)C ZINC000093678086 570291088 /nfs/dbraw/zinc/29/10/88/570291088.db2.gz TWKVWRXYDGFZGH-ALOPSCKCSA-N 2 0 266.473 3.521 10 0 CHAERP C[C@H]([NH2+]Cc1ccccc1C[NH+](C)C)c1cccs1 ZINC000020128619 171015148 /nfs/dbraw/zinc/01/51/48/171015148.db2.gz JFWYCDREPTZAOG-ZDUSSCGKSA-N 2 0 274.433 3.661 10 0 CHAERP C[NH+](C)Cc1ccccc1C[NH2+]C1CCCCCC1 ZINC000020128564 171015462 /nfs/dbraw/zinc/01/54/62/171015462.db2.gz IRRMCQGKOVFPPZ-UHFFFAOYSA-N 2 0 260.425 3.561 10 0 CHAERP C[NH+](C)Cc1ccccc1C[NH2+]Cc1ccc(Cl)s1 ZINC000020128672 171015508 /nfs/dbraw/zinc/01/55/08/171015508.db2.gz GPBALXRIMZAFBX-UHFFFAOYSA-N 2 0 294.851 3.753 10 0 CHAERP CCCC[NH+](CCCC)Cc1cc(C[NH3+])ccc1F ZINC000020484620 171224671 /nfs/dbraw/zinc/22/46/71/171224671.db2.gz JQXBYFMPJHYSBV-UHFFFAOYSA-N 2 0 266.404 3.687 10 0 CHAERP CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000021047074 171294653 /nfs/dbraw/zinc/29/46/53/171294653.db2.gz QTACKTQGHNRGKW-SQNIBIBYSA-N 2 0 280.500 3.913 10 0 CHAERP CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000021500769 171304820 /nfs/dbraw/zinc/30/48/20/171304820.db2.gz JCSMDAODWUTVQV-HOTGVXAUSA-N 2 0 266.473 3.667 10 0 CHAERP CC(C)[N@H+](C)Cc1ccc(-c2ccccc2C[NH3+])cc1 ZINC000022172879 171368956 /nfs/dbraw/zinc/36/89/56/171368956.db2.gz SKMYCKXAUVWIIQ-UHFFFAOYSA-N 2 0 268.404 3.653 10 0 CHAERP CCC[NH+]1CCC([C@@H](C)[NH2+][C@@H](C)CC(C)C)CC1 ZINC000037260291 173070649 /nfs/dbraw/zinc/07/06/49/173070649.db2.gz KKKMALPFLNWSJH-LSDHHAIUSA-N 2 0 254.462 3.521 10 0 CHAERP CC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000038041820 174043442 /nfs/dbraw/zinc/04/34/42/174043442.db2.gz OTNYTRFWHQOIDR-QAPCUYQASA-N 2 0 292.442 3.988 10 0 CHAERP CC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCCC1)c1ccc(O)cc1 ZINC000038041680 174043646 /nfs/dbraw/zinc/04/36/46/174043646.db2.gz PZCLTCQBNDFLJN-QAPCUYQASA-N 2 0 290.451 3.555 10 0 CHAERP Cc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000038041752 174043664 /nfs/dbraw/zinc/04/36/64/174043664.db2.gz RADDHTBCYBGGPR-DLBZAZTESA-N 2 0 274.452 3.768 10 0 CHAERP CC(C)CC[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000038041866 174044102 /nfs/dbraw/zinc/04/41/02/174044102.db2.gz WOWXUNSHIWGPQS-HZPDHXFCSA-N 2 0 254.462 3.523 10 0 CHAERP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000037786561 260118178 /nfs/dbraw/zinc/11/81/78/260118178.db2.gz ARJYULYWOROYRU-SFHVURJKSA-N 2 0 286.463 3.917 10 0 CHAERP CCc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000049856239 328380311 /nfs/dbraw/zinc/38/03/11/328380311.db2.gz LQWZTHQSZSBDBZ-QAPCUYQASA-N 2 0 274.452 3.774 10 0 CHAERP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cc(F)ccc32)[C@H](C)C1 ZINC000090964086 330397414 /nfs/dbraw/zinc/39/74/14/330397414.db2.gz SZLJOOBDRCUGCN-JEBQAFNWSA-N 2 0 290.426 3.523 10 0 CHAERP CCC[C@@H]([NH2+]C[C@H]1CCCN1C)c1ccc(Cl)cc1 ZINC000222696765 333198922 /nfs/dbraw/zinc/19/89/22/333198922.db2.gz BPAKRAOZCVYJNE-HZPDHXFCSA-N 2 0 280.843 3.865 10 0 CHAERP C[C@@H]([NH2+][C@H]1C=CCCC1)c1cccc(-n2ccnc2)c1 ZINC000189895497 333200056 /nfs/dbraw/zinc/20/00/56/333200056.db2.gz RPFWJLMCUBMGBG-ZBFHGGJFSA-N 2 0 267.376 3.632 10 0 CHAERP C[NH2+][C@@H]1CCCN([C@@H](C)c2ccc(C(C)(C)C)cc2)C1 ZINC000226709046 333268059 /nfs/dbraw/zinc/26/80/59/333268059.db2.gz AXUPDGMKYOZXCR-WMLDXEAASA-N 2 0 274.452 3.729 10 0 CHAERP CCN1CCC[C@@H]([NH2+][C@H](C)c2ccc3ccccc3c2)C1 ZINC000250311355 333304395 /nfs/dbraw/zinc/30/43/95/333304395.db2.gz LXQNUTKYSKCHTN-DNVCBOLYSA-N 2 0 282.431 3.975 10 0 CHAERP C[NH2+]C[C@@H]1CCC[N@H+](CC2CCC(C(C)(C)C)CC2)C1 ZINC000135294372 334123964 /nfs/dbraw/zinc/12/39/64/334123964.db2.gz XJZAMMWIYDOBPS-CGZBRXJRSA-N 2 0 280.500 3.770 10 0 CHAERP CC[NH2+]C1CC[NH+]([C@H](c2cccs2)C(C)C)CC1 ZINC000049557867 519909896 /nfs/dbraw/zinc/90/98/96/519909896.db2.gz QEXSUYKTGUXSLI-HNNXBMFYSA-N 2 0 266.454 3.519 10 0 CHAERP CCC[NH2+]CCC[C@@H](C)[NH+]1CCC(CCC)CC1 ZINC000052374013 519912867 /nfs/dbraw/zinc/91/28/67/519912867.db2.gz WPUCQXKBFKEYQB-OAHLLOKOSA-N 2 0 254.462 3.667 10 0 CHAERP CC[NH2+]Cc1cc(C[N@H+](C)[C@H](C)C(C)(C)C)oc1C ZINC000052504348 519986784 /nfs/dbraw/zinc/98/67/84/519986784.db2.gz OYDSJCMJUGXMLG-CYBMUJFWSA-N 2 0 266.429 3.564 10 0 CHAERP CC(C)(C)[NH2+]C[C@@H]1CC[N@@H+](C2CCCCCCC2)C1 ZINC000053011157 518761362 /nfs/dbraw/zinc/76/13/62/518761362.db2.gz XQRPWOPSBLDDPL-HNNXBMFYSA-N 2 0 266.473 3.809 10 0 CHAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1ccsc1 ZINC000061367291 519908788 /nfs/dbraw/zinc/90/87/88/519908788.db2.gz KJUGLRQSTLNXQA-WWTUQBGBSA-N 2 0 278.465 3.804 10 0 CHAERP CC[NH2+]CCCCC[N@H+](C)Cc1cccc(Cl)c1 ZINC000052508216 519919010 /nfs/dbraw/zinc/91/90/10/519919010.db2.gz MQWCVSKRYIUOKO-UHFFFAOYSA-N 2 0 268.832 3.552 10 0 CHAERP CCCC[N@H+](CC)Cc1cc(C[NH2+]C(C)C)c(C)o1 ZINC000052418729 520477652 /nfs/dbraw/zinc/47/76/52/520477652.db2.gz UPRKIEUZELBMTJ-UHFFFAOYSA-N 2 0 266.429 3.708 10 0 CHAERP CC[N@H+]([C@@H](C)CCC[NH2+]C(C)C)C1CCCCC1 ZINC000052420111 521472098 /nfs/dbraw/zinc/47/20/98/521472098.db2.gz IAQAZOBGGJVWJR-HNNXBMFYSA-N 2 0 254.462 3.808 10 0 CHAERP C[N@H+](CCCCC[NH2+]C(C)(C)C)Cc1ccsc1 ZINC000052457351 522731065 /nfs/dbraw/zinc/73/10/65/522731065.db2.gz PVSWDLPZBWJHMP-UHFFFAOYSA-N 2 0 268.470 3.738 10 0 CHAERP C[N@H+](CCCC[NH2+]C(C)(C)C)Cc1ccc(Cl)cc1 ZINC000052346276 522733677 /nfs/dbraw/zinc/73/36/77/522733677.db2.gz AGELPFGRKKQLJT-UHFFFAOYSA-N 2 0 282.859 3.940 10 0 CHAERP CC[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1cccs1 ZINC000049529343 522933913 /nfs/dbraw/zinc/93/39/13/522933913.db2.gz SAADMMIPPKJXLQ-TZMCWYRMSA-N 2 0 266.454 3.519 10 0 CHAERP C[C@@H]1CCCC[N@@H+]1Cc1c2ccccc2sc1C[NH3+] ZINC000052378869 524114755 /nfs/dbraw/zinc/11/47/55/524114755.db2.gz BXRHYMKSLOYHNF-GFCCVEGCSA-N 2 0 274.433 3.734 10 0 CHAERP C[NH+](C)Cc1ccccc1C[NH2+]Cc1cccc(Cl)c1 ZINC000020128645 171015150 /nfs/dbraw/zinc/01/51/50/171015150.db2.gz CSOAZHRMDPHYRJ-UHFFFAOYSA-N 2 0 288.822 3.691 10 0 CHAERP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CCCCc2ccccc21 ZINC000021029024 171291755 /nfs/dbraw/zinc/29/17/55/171291755.db2.gz WJSBUGDVWQXRIA-KRWDZBQOSA-N 2 0 274.452 3.632 10 0 CHAERP CC[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cccc(Cl)c1 ZINC000021506108 171308057 /nfs/dbraw/zinc/30/80/57/171308057.db2.gz AFDBMTGZJBFOJN-HNNXBMFYSA-N 2 0 282.859 3.969 10 0 CHAERP CC1CC[NH+](CCC[NH2+]C2C3CC4CC(C3)CC2C4)CC1 ZINC000035163338 172024149 /nfs/dbraw/zinc/02/41/49/172024149.db2.gz VBKNSMXTHGXEHR-UHFFFAOYSA-N 2 0 290.495 3.523 10 0 CHAERP CCC[NH+]1CCC([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C)CC1 ZINC000037210023 173031267 /nfs/dbraw/zinc/03/12/67/173031267.db2.gz OQVOCGBXOHMFKO-YQQAZPJKSA-N 2 0 266.473 3.665 10 0 CHAERP CC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000038041823 174042857 /nfs/dbraw/zinc/04/28/57/174042857.db2.gz OTNYTRFWHQOIDR-MAUKXSAKSA-N 2 0 292.442 3.988 10 0 CHAERP CC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccc(O)cc1 ZINC000038041683 174043400 /nfs/dbraw/zinc/04/34/00/174043400.db2.gz PZCLTCQBNDFLJN-MAUKXSAKSA-N 2 0 290.451 3.555 10 0 CHAERP CC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000038041821 174043623 /nfs/dbraw/zinc/04/36/23/174043623.db2.gz OTNYTRFWHQOIDR-CRAIPNDOSA-N 2 0 292.442 3.988 10 0 CHAERP CC[NH2+]Cc1sc2ccccc2c1C[NH+]1CCCCC1 ZINC000045206368 175328288 /nfs/dbraw/zinc/32/82/88/175328288.db2.gz IZRZEMNCMWFIRX-UHFFFAOYSA-N 2 0 288.460 3.997 10 0 CHAERP CCC(CC)[N@H+](CCC1CC[NH2+]CC1)CC(C)C ZINC000093309171 264305923 /nfs/dbraw/zinc/30/59/23/264305923.db2.gz LJWLHVOKITWELY-UHFFFAOYSA-N 2 0 254.462 3.523 10 0 CHAERP C[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1cccc(Cl)c1 ZINC000049856213 328380373 /nfs/dbraw/zinc/38/03/73/328380373.db2.gz CXKZMWZXURBDKU-BBRMVZONSA-N 2 0 280.843 3.865 10 0 CHAERP CC[C@H]1CC[C@H]([NH2+]CCC[N@H+](C)C2CCCCC2)C1 ZINC000080459203 334171896 /nfs/dbraw/zinc/17/18/96/334171896.db2.gz PSCXLKQXHQADDZ-HOTGVXAUSA-N 2 0 266.473 3.809 10 0 CHAERP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251109673 334356748 /nfs/dbraw/zinc/35/67/48/334356748.db2.gz TUFFKCDQAILSQG-DUVNUKRYSA-N 2 0 280.843 3.850 10 0 CHAERP CC(C)[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccccc1Cl ZINC000091335719 334376520 /nfs/dbraw/zinc/37/65/20/334376520.db2.gz PYKXMUYGXVAXJC-WMLDXEAASA-N 2 0 294.870 3.969 10 0 CHAERP CCC[N@H+](CC)Cc1c2ccccc2sc1C[NH3+] ZINC000052448414 521613554 /nfs/dbraw/zinc/61/35/54/521613554.db2.gz SXPIWRHXQURJGI-UHFFFAOYSA-N 2 0 262.422 3.592 10 0 CHAERP C(CC[NH2+]C1CC1)CC[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000052482609 518382340 /nfs/dbraw/zinc/38/23/40/518382340.db2.gz SGVRNGWBEHLSTG-WBVHZDCISA-N 2 0 264.457 3.563 10 0 CHAERP CC(C)[NH2+]Cc1cccc(C[N@@H+]2CCCC[C@@H]2C)c1 ZINC000052378626 519727383 /nfs/dbraw/zinc/72/73/83/519727383.db2.gz NVNQRUMQLJDTMW-HNNXBMFYSA-N 2 0 260.425 3.559 10 0 CHAERP CC(C)C[NH2+]C[C@@H](C)C[N@H+](C)C1CCCCCC1 ZINC000052482013 519744592 /nfs/dbraw/zinc/74/45/92/519744592.db2.gz JLKYMULUXAGTQA-OAHLLOKOSA-N 2 0 254.462 3.523 10 0 CHAERP CCC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1[NH+]1CCCCC1 ZINC000054554706 520096168 /nfs/dbraw/zinc/09/61/68/520096168.db2.gz GWPWZBZEZIOOBX-IKGGRYGDSA-N 2 0 266.473 3.665 10 0 CHAERP CCCC[NH+](CCCC)Cc1ccc(C[NH2+]C)cc1 ZINC000052443625 520497004 /nfs/dbraw/zinc/49/70/04/520497004.db2.gz PQUAFWOCSJJFJL-UHFFFAOYSA-N 2 0 262.441 3.808 10 0 CHAERP CCC(CC)[N@H+](C)Cc1csc(C[NH2+]CC(C)C)n1 ZINC000052477937 521543321 /nfs/dbraw/zinc/54/33/21/521543321.db2.gz GZRGFFPWAIDVRC-UHFFFAOYSA-N 2 0 283.485 3.509 10 0 CHAERP CC[NH+]1CCC([C@@H](C)[NH2+][C@H](C)c2ccsc2)CC1 ZINC000061361163 521582574 /nfs/dbraw/zinc/58/25/74/521582574.db2.gz AHDGFWBQVCYXLO-CHWSQXEVSA-N 2 0 266.454 3.519 10 0 CHAERP CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+][C@@H](C)c2ccsc2)C1 ZINC000061361148 521627357 /nfs/dbraw/zinc/62/73/57/521627357.db2.gz RBUJALNTLVDUCD-HZSPNIEDSA-N 2 0 266.454 3.519 10 0 CHAERP CC[C@@H]1CCCC[N@@H+]1[C@@H](C)CCC[NH2+]CC(C)C ZINC000052447742 523179046 /nfs/dbraw/zinc/17/90/46/523179046.db2.gz MSFVZXIRLMLEIC-JKSUJKDBSA-N 2 0 254.462 3.665 10 0 CHAERP CC[C@@](C)(C[NH2+]C(C)(C)C)C[N@H+](CC1CC1)C(C)C ZINC000051259569 523639988 /nfs/dbraw/zinc/63/99/88/523639988.db2.gz FYTZPRYVDZHRCD-KRWDZBQOSA-N 2 0 268.489 3.911 10 0 CHAERP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc21 ZINC000126563081 524703436 /nfs/dbraw/zinc/70/34/36/524703436.db2.gz ZERXMOYVNBOSDR-NNFUDEMPSA-N 2 0 284.447 3.841 10 0 CHAERP C[C@H]1CCCC[C@H]1[N@H+](C)CCCC[NH2+]C(C)(C)C ZINC000052546518 526261328 /nfs/dbraw/zinc/26/13/28/526261328.db2.gz GQYRMVWTWZMJTI-LSDHHAIUSA-N 2 0 254.462 3.665 10 0 CHAERP CC[NH+]1CCC([C@H](C)[NH2+]Cc2ccccc2Cl)CC1 ZINC000037209405 173030549 /nfs/dbraw/zinc/03/05/49/173030549.db2.gz KPRYXNOMISMPFG-ZDUSSCGKSA-N 2 0 280.843 3.550 10 0 CHAERP CCC[NH+]1CCC([C@H](C)[NH2+][C@H](C)CCC(C)C)CC1 ZINC000037220328 173037938 /nfs/dbraw/zinc/03/79/38/173037938.db2.gz BFHBLAIRTBKWTK-CVEARBPZSA-N 2 0 268.489 3.911 10 0 CHAERP CCC[NH+]1CCC([C@@H](C)[NH2+]CC2CCCCC2)CC1 ZINC000037259226 173069047 /nfs/dbraw/zinc/06/90/47/173069047.db2.gz XXBWZOYGXYUQJI-OAHLLOKOSA-N 2 0 266.473 3.667 10 0 CHAERP C[NH2+]Cc1sc2ccccc2c1C[NH+]1CCCCC1 ZINC000045206364 175328533 /nfs/dbraw/zinc/32/85/33/175328533.db2.gz BWCPWSQIIDSQLA-UHFFFAOYSA-N 2 0 274.433 3.607 10 0 CHAERP CCCC[NH+]1CCC([NH2+]CC2CCC(C)CC2)CC1 ZINC000089576244 260188636 /nfs/dbraw/zinc/18/86/36/260188636.db2.gz BWMJWUPLYZATCY-UHFFFAOYSA-N 2 0 266.473 3.667 10 0 CHAERP Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCCC[N@@H+]2C)cc1F ZINC000094955367 265279355 /nfs/dbraw/zinc/27/93/55/265279355.db2.gz JVRMJRNIYQRYIZ-GOEBONIOSA-N 2 0 278.415 3.659 10 0 CHAERP C[NH+](C)CCCC[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000045662976 330347583 /nfs/dbraw/zinc/34/75/83/330347583.db2.gz RZTMEUSWEJROBN-GJZGRUSLSA-N 2 0 254.462 3.523 10 0 CHAERP C[C@H]([NH2+][C@@H](c1ccc(F)cc1)C(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000400726898 332719677 /nfs/dbraw/zinc/71/96/77/332719677.db2.gz PRFBHEAELHNUAW-NOLJZWGESA-N 2 0 278.415 3.501 10 0 CHAERP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252673838 334384769 /nfs/dbraw/zinc/38/47/69/334384769.db2.gz MSXQQNWEAYGVIE-UYTYNIKBSA-N 2 0 278.484 3.664 10 0 CHAERP CC[C@@H](C)[N@H+](C)Cc1cc(C[NH2+]C(C)(C)C)c(C)o1 ZINC000052444060 522064966 /nfs/dbraw/zinc/06/49/66/522064966.db2.gz ACOBTNMKOQYMMF-GFCCVEGCSA-N 2 0 266.429 3.706 10 0 CHAERP CC(C)(C)C1CC[NH+](CCC[C@@H]2CCCC[NH2+]2)CC1 ZINC000050954301 518606667 /nfs/dbraw/zinc/60/66/67/518606667.db2.gz WJUJKGYEUZNGIW-INIZCTEOSA-N 2 0 266.473 3.667 10 0 CHAERP CC(C)C[NH+](CCCC[NH2+]C(C)(C)C)CC(C)C ZINC000052484811 519715193 /nfs/dbraw/zinc/71/51/93/519715193.db2.gz FRIRQCHNUOORLH-UHFFFAOYSA-N 2 0 256.478 3.769 10 0 CHAERP CC(C)[NH2+]Cc1ccc(C[N@H+](C)[C@H](C)C(C)(C)C)o1 ZINC000052504371 519726674 /nfs/dbraw/zinc/72/66/74/519726674.db2.gz XNCOEYYWAKNLRU-CYBMUJFWSA-N 2 0 266.429 3.644 10 0 CHAERP CCC1CCC([N@H+](C)C[C@@H](C)C[NH2+]C(C)(C)C)CC1 ZINC000052345552 519853160 /nfs/dbraw/zinc/85/31/60/519853160.db2.gz URCHLGTYRZPFER-FHERZECASA-N 2 0 268.489 3.911 10 0 CHAERP CCCC1CC[NH+](CC2(CCC)CC[NH2+]CC2)CC1 ZINC000062851246 519901099 /nfs/dbraw/zinc/90/10/99/519901099.db2.gz GHODAKAKKJRTIN-UHFFFAOYSA-N 2 0 266.473 3.668 10 0 CHAERP CCC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1[NH+]1CCCCC1 ZINC000054554703 520027636 /nfs/dbraw/zinc/02/76/36/520027636.db2.gz GWPWZBZEZIOOBX-BBWFWOEESA-N 2 0 266.473 3.665 10 0 CHAERP CCC[C@H]([NH2+]CCC[NH+]1CCCC1)c1cccs1 ZINC000049544089 521156414 /nfs/dbraw/zinc/15/64/14/521156414.db2.gz ITDSPWNGVNZDQK-AWEZNQCLSA-N 2 0 266.454 3.665 10 0 CHAERP CCC(CC)C[N@H+](CC)[C@H](C)CC[NH2+]C(C)(C)C ZINC000052540760 521524094 /nfs/dbraw/zinc/52/40/94/521524094.db2.gz RQZAPRALYLFZLL-CQSZACIVSA-N 2 0 256.478 3.911 10 0 CHAERP CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+][C@@H](C)C2CCCCC2)C1 ZINC000052333097 521626700 /nfs/dbraw/zinc/62/67/00/521626700.db2.gz WDWJETFICSURHE-ZMSDIMECSA-N 2 0 266.473 3.665 10 0 CHAERP C[N@H+](CCC[C@H]1CCCC[NH2+]1)Cc1ccc(Cl)s1 ZINC000050953320 522787283 /nfs/dbraw/zinc/78/72/83/522787283.db2.gz VDPFKCPFAINPCY-GFCCVEGCSA-N 2 0 286.872 3.756 10 0 CHAERP CC[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1cccs1 ZINC000049529341 522906639 /nfs/dbraw/zinc/90/66/39/522906639.db2.gz SAADMMIPPKJXLQ-GXTWGEPZSA-N 2 0 266.454 3.519 10 0 CHAERP C[N@H+](Cc1cc(C[NH2+]C(C)(C)C)co1)C1CCCC1 ZINC000052444884 523170417 /nfs/dbraw/zinc/17/04/17/523170417.db2.gz LNYRXUIUUIEGHW-UHFFFAOYSA-N 2 0 264.413 3.542 10 0 CHAERP C[C@H](CCC[NH2+]C1CC1)[N@H+](C)[C@@H](C)c1cccs1 ZINC000052506853 524141653 /nfs/dbraw/zinc/14/16/53/524141653.db2.gz BDTNZQWPTBUJON-OLZOCXBDSA-N 2 0 266.454 3.662 10 0 CHAERP Cc1cc(C[N@H+](C)CC(C)(C)C)oc1C[NH2+]C(C)C ZINC000052570243 524657908 /nfs/dbraw/zinc/65/79/08/524657908.db2.gz VKSCSEXBNGBFGQ-UHFFFAOYSA-N 2 0 266.429 3.564 10 0 CHAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCCC[NH2+]C(C)(C)C)C1 ZINC000052420822 525381436 /nfs/dbraw/zinc/38/14/36/525381436.db2.gz AKQUPKITAKWCBB-GASCZTMLSA-N 2 0 254.462 3.523 10 0 CHAERP Cc1cccc(C[NH+]2CCC[C@]3(CC[N@@H+](C(C)C)C3)C2)c1 ZINC000014972501 567869822 /nfs/dbraw/zinc/86/98/22/567869822.db2.gz DIHMIDVSQZTGEW-IBGZPJMESA-N 2 0 286.463 3.691 10 0 CHAERP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000035162123 172022319 /nfs/dbraw/zinc/02/23/19/172022319.db2.gz DUQGJGFIZZPQGI-RLHPCVIISA-N 2 0 290.495 3.665 10 0 CHAERP C[C@H](C[NH2+][C@H](C)CCc1ccccc1)C[NH+]1CCCCC1 ZINC000038041747 174043007 /nfs/dbraw/zinc/04/30/07/174043007.db2.gz GEGZBMDGOPSAPU-QZTJIDSGSA-N 2 0 288.479 3.719 10 0 CHAERP CC(C)[N@H+](Cc1ccccc1)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000040431887 174260448 /nfs/dbraw/zinc/26/04/48/174260448.db2.gz HVMKFWTUIFKOBB-IRXDYDNUSA-N 2 0 260.425 3.557 10 0 CHAERP CCC[NH+]1CCC([C@@H](C)[NH2+][C@H](CC)C(C)C)CC1 ZINC000042585652 174808236 /nfs/dbraw/zinc/80/82/36/174808236.db2.gz LQWBDPOCRYENLU-GDBMZVCRSA-N 2 0 254.462 3.521 10 0 CHAERP C[C@H](CCc1ccco1)[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC000067459330 175775412 /nfs/dbraw/zinc/77/54/12/175775412.db2.gz MCSXEPFAJOEPGY-OAHLLOKOSA-N 2 0 290.451 3.503 10 0 CHAERP CC(C)[N@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000221790203 262296690 /nfs/dbraw/zinc/29/66/90/262296690.db2.gz ULSJPSOYJNHICZ-HUUCEWRRSA-N 2 0 254.462 3.521 10 0 CHAERP CC(C)c1ccc(C[N@H+](CC2CC[NH2+]CC2)C2CC2)cc1 ZINC000094021330 265208969 /nfs/dbraw/zinc/20/89/69/265208969.db2.gz MWKDNYZRNWFXPE-UHFFFAOYSA-N 2 0 286.463 3.774 10 0 CHAERP CCC[NH2+][C@H](C[N@@H+]1CCC[C@H](C)[C@@H]1C)C(C)(C)C ZINC000050564499 520083565 /nfs/dbraw/zinc/08/35/65/520083565.db2.gz NIHCRXUQFGHLDY-SOUVJXGZSA-N 2 0 254.462 3.521 10 0 CHAERP CC(C)[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C)cc2)CCC[NH2+]1 ZINC000062705205 519804718 /nfs/dbraw/zinc/80/47/18/519804718.db2.gz FBLCACILIRKVCC-SFHVURJKSA-N 2 0 288.479 3.804 10 0 CHAERP CCCC1CCC([NH2+]CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000052206049 519898669 /nfs/dbraw/zinc/89/86/69/519898669.db2.gz BNXUTHAWSUKDEX-JCYILVPMSA-N 2 0 266.473 3.809 10 0 CHAERP CCC[NH2+]Cc1occc1C[N@H+](C)[C@H](C)CC(C)C ZINC000052571889 519972898 /nfs/dbraw/zinc/97/28/98/519972898.db2.gz BUCGUPBOHMQNMC-CQSZACIVSA-N 2 0 266.429 3.646 10 0 CHAERP CCC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1C[N@H+](C)C1CC1 ZINC000054559742 520096949 /nfs/dbraw/zinc/09/69/49/520096949.db2.gz ASLVHXXBCZJJSI-UXLLHSPISA-N 2 0 266.473 3.521 10 0 CHAERP CC[N@@H+](Cc1cc(C[NH2+]C(C)(C)C)co1)CC(C)C ZINC000052449792 521290683 /nfs/dbraw/zinc/29/06/83/521290683.db2.gz GURJCSWZAAYMQD-UHFFFAOYSA-N 2 0 266.429 3.646 10 0 CHAERP CC[N@H+](Cc1ccccc1)[C@H](C)CC[NH2+]C(C)(C)C ZINC000052443839 521373451 /nfs/dbraw/zinc/37/34/51/521373451.db2.gz DXCPXYQQIQHMTA-OAHLLOKOSA-N 2 0 262.441 3.675 10 0 CHAERP CC[N@H+]([C@H](C)CCC[NH2+]C(C)C)C1CCCCC1 ZINC000052420112 521477655 /nfs/dbraw/zinc/47/76/55/521477655.db2.gz IAQAZOBGGJVWJR-OAHLLOKOSA-N 2 0 254.462 3.808 10 0 CHAERP CC[NH+]1CCC([C@H](C)[NH2+][C@@H](C)c2ccsc2)CC1 ZINC000061361162 521585516 /nfs/dbraw/zinc/58/55/16/521585516.db2.gz AHDGFWBQVCYXLO-STQMWFEESA-N 2 0 266.454 3.519 10 0 CHAERP C[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCCC1 ZINC000052482144 522134439 /nfs/dbraw/zinc/13/44/39/522134439.db2.gz HMMCMBXREVJWKF-UHFFFAOYSA-N 2 0 260.425 3.561 10 0 CHAERP C[N@H+](CCCCC[NH2+]C(C)(C)C)Cc1ccccc1 ZINC000052417515 522732417 /nfs/dbraw/zinc/73/24/17/522732417.db2.gz ALMBDCJCQUOKFH-UHFFFAOYSA-N 2 0 262.441 3.677 10 0 CHAERP C[N@H+]([C@@H](CC[NH3+])c1ccccc1)C1CCCCCC1 ZINC000055016167 523622852 /nfs/dbraw/zinc/62/28/52/523622852.db2.gz IYMRQXJOINBTCH-KRWDZBQOSA-N 2 0 260.425 3.731 10 0 CHAERP Cc1ccc(C[N@@H+](C)[C@@H](C)CCC[NH2+]C(C)(C)C)o1 ZINC000052455850 524398028 /nfs/dbraw/zinc/39/80/28/524398028.db2.gz BBIAWZXVYUCKHM-ZDUSSCGKSA-N 2 0 266.429 3.577 10 0 CHAERP CC(C)[NH2+][C@H](CC[C@H]([NH2+]C(C)C)C(C)C)C(C)C ZINC000616571188 570409015 /nfs/dbraw/zinc/40/90/15/570409015.db2.gz VSKWAJBOTZRIAY-IYBDPMFKSA-N 2 0 256.478 3.812 10 0 CHAERP C=Cc1cccc(C[N@@H+]2CCCC3(CC[NH2+]CC3)CC2)c1 ZINC000067894669 567197174 /nfs/dbraw/zinc/19/71/74/567197174.db2.gz FDWBAMFQFMUYOT-UHFFFAOYSA-N 2 0 284.447 3.685 10 0 CHAERP C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1ccccc1C[NH+](C)C ZINC000020562896 171252648 /nfs/dbraw/zinc/25/26/48/171252648.db2.gz PQDZVJUZQCEMQN-HUUCEWRRSA-N 2 0 274.452 3.663 10 0 CHAERP CC[C@H](C)C[C@@](CC)(C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000021814384 171331650 /nfs/dbraw/zinc/33/16/50/171331650.db2.gz HSSWDHIDKXJORU-YJBOKZPZSA-N 2 0 274.452 3.588 10 0 CHAERP CCC[NH+]1CCC([C@H](C)[NH2+]CC2CCCCC2)CC1 ZINC000037259228 173069107 /nfs/dbraw/zinc/06/91/07/173069107.db2.gz XXBWZOYGXYUQJI-HNNXBMFYSA-N 2 0 266.473 3.667 10 0 CHAERP CC[C@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccc(O)cc1 ZINC000038041682 174043216 /nfs/dbraw/zinc/04/32/16/174043216.db2.gz PZCLTCQBNDFLJN-YJBOKZPZSA-N 2 0 290.451 3.555 10 0 CHAERP C[C@@H](C[NH2+][C@H]1CCCc2ccccc21)C[NH+]1CCCCC1 ZINC000038041876 174044247 /nfs/dbraw/zinc/04/42/47/174044247.db2.gz XJFMPAJCQUBECA-LPHOPBHVSA-N 2 0 286.463 3.776 10 0 CHAERP C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171640851 329075211 /nfs/dbraw/zinc/07/52/11/329075211.db2.gz QJMLLXXZYNPHJG-HUUCEWRRSA-N 2 0 299.393 3.716 10 0 CHAERP CCCN(Cc1ccc(C(C)(C)C)s1)[C@H]1CC[NH2+]C1 ZINC000166172473 331306563 /nfs/dbraw/zinc/30/65/63/331306563.db2.gz RECOWKXUCGBVEY-ZDUSSCGKSA-N 2 0 280.481 3.620 10 0 CHAERP CCC(C)(C)C1CCC([NH2+][C@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000400321016 331385078 /nfs/dbraw/zinc/38/50/78/331385078.db2.gz BDSJRUUJIMPJJW-WXLSXGNJSA-N 2 0 266.473 3.569 10 0 CHAERP C[C@@H]([NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1)[C@H]1CC[NH2+]C1 ZINC000400508726 332712440 /nfs/dbraw/zinc/71/24/40/332712440.db2.gz KTUCOVVOELJKIH-LZWOXQAQSA-N 2 0 274.452 3.633 10 0 CHAERP C[C@H]([NH2+][C@H](c1ccc(F)cc1)C(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000400726897 332719652 /nfs/dbraw/zinc/71/96/52/332719652.db2.gz PRFBHEAELHNUAW-JGGQBBKZSA-N 2 0 278.415 3.501 10 0 CHAERP CCCC[C@H]([NH2+]C[C@H]1CCCN1C)c1ccccc1 ZINC000219161727 333143161 /nfs/dbraw/zinc/14/31/61/333143161.db2.gz FHFJLCPEXSFELI-SJORKVTESA-N 2 0 260.425 3.602 10 0 CHAERP CC(C)C[NH2+]CCC[C@H](C)[N@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000052513979 519743627 /nfs/dbraw/zinc/74/36/27/519743627.db2.gz YGDOURUXDONSLD-IXDOHACOSA-N 2 0 268.489 3.911 10 0 CHAERP CC(C)C[NH2+]C[C@H](C)C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000052517478 519745694 /nfs/dbraw/zinc/74/56/94/519745694.db2.gz PRMZJMRXGQIVON-DOTOQJQBSA-N 2 0 266.473 3.523 10 0 CHAERP CCCCC[N@H+](C[C@H](C)C[NH2+]C(C)(C)C)C(C)C ZINC000052544755 520174579 /nfs/dbraw/zinc/17/45/79/520174579.db2.gz ODWIIUIHTDDPNI-OAHLLOKOSA-N 2 0 256.478 3.911 10 0 CHAERP CCCC[N@H+](C[C@@H](C)C[NH2+]C(C)(C)C)[C@@H](C)CC ZINC000052372615 520541998 /nfs/dbraw/zinc/54/19/98/520541998.db2.gz IJRZIPAHFUVZSD-GJZGRUSLSA-N 2 0 256.478 3.911 10 0 CHAERP C(CC[NH2+]C1CC1)CC[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000052482607 518383284 /nfs/dbraw/zinc/38/32/84/518383284.db2.gz SGVRNGWBEHLSTG-RDJZCZTQSA-N 2 0 264.457 3.563 10 0 CHAERP CC(C)(C)[NH2+]C[C@H]1CC[N@@H+](C2CCCCCCC2)C1 ZINC000053011159 518762916 /nfs/dbraw/zinc/76/29/16/518762916.db2.gz XQRPWOPSBLDDPL-OAHLLOKOSA-N 2 0 266.473 3.809 10 0 CHAERP CC(C)C[NH+](CC(C)C)[C@@H](C)CCC[NH2+]C(C)C ZINC000052484994 519713761 /nfs/dbraw/zinc/71/37/61/519713761.db2.gz SWKKBRDOVWRICE-INIZCTEOSA-N 2 0 256.478 3.767 10 0 CHAERP CC(C)[NH2+]CC[C@@H](C)[NH+]1CCC(C(C)(C)C)CC1 ZINC000052373727 519722007 /nfs/dbraw/zinc/72/20/07/519722007.db2.gz MLRFCTPWQKTYJT-CQSZACIVSA-N 2 0 254.462 3.521 10 0 CHAERP CC(C)C[NH2+]CCCCC[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000052546872 519743170 /nfs/dbraw/zinc/74/31/70/519743170.db2.gz DGPBXGBXANZNJZ-DLBZAZTESA-N 2 0 268.489 3.913 10 0 CHAERP CC(C)C[NH2+]CCC[C@H](C)[N@H+](C)C1CCC(C)CC1 ZINC000052345435 519743804 /nfs/dbraw/zinc/74/38/04/519743804.db2.gz BGZSPNHRDYMQQR-CGZBRXJRSA-N 2 0 268.489 3.911 10 0 CHAERP CC(C)C[NH2+]CCC[N@H+](Cc1cccs1)C(C)C ZINC000052544960 519743822 /nfs/dbraw/zinc/74/38/22/519743822.db2.gz ALINNEAGEKDXGK-UHFFFAOYSA-N 2 0 268.470 3.594 10 0 CHAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCCC1 ZINC000054628368 519910993 /nfs/dbraw/zinc/91/09/93/519910993.db2.gz QJFPZANVKNOWAX-ALOPSCKCSA-N 2 0 264.457 3.562 10 0 CHAERP CCCC[N@H+]([C@H](C)CC)[C@@H](C)CC[NH2+]CC(C)C ZINC000052372832 520552651 /nfs/dbraw/zinc/55/26/51/520552651.db2.gz LZKVEVBSBDSIIB-CVEARBPZSA-N 2 0 256.478 3.911 10 0 CHAERP CCCC[N@H+]([C@@H](C)CC)[C@@H](C)CC[NH2+]CC(C)C ZINC000052372831 520552768 /nfs/dbraw/zinc/55/27/68/520552768.db2.gz LZKVEVBSBDSIIB-HOTGVXAUSA-N 2 0 256.478 3.911 10 0 CHAERP CCC[C@@H](C)[N@H+](C)Cc1ccccc1C[NH2+]C1CC1 ZINC000052480788 520645855 /nfs/dbraw/zinc/64/58/55/520645855.db2.gz VYOJGQQCLDCEAI-CQSZACIVSA-N 2 0 260.425 3.559 10 0 CHAERP CC[C@@H](C[NH2+]C(C)(C)C)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000052482228 522543517 /nfs/dbraw/zinc/54/35/17/522543517.db2.gz FYCPXOHQCZPMDW-XHSDSOJGSA-N 2 0 266.473 3.665 10 0 CHAERP CC[C@H]1CCC[N@@H+]([C@@H](C)CCC[NH2+]CC(C)C)C1 ZINC000052479830 523094655 /nfs/dbraw/zinc/09/46/55/523094655.db2.gz AXAYOEQOWRHIFU-HOTGVXAUSA-N 2 0 254.462 3.523 10 0 CHAERP C[C@@H](CCC[NH2+]C1CC1)[N@@H+]1CCc2sccc2[C@@H]1C ZINC000052505513 524458282 /nfs/dbraw/zinc/45/82/82/524458282.db2.gz IUOOYHRYVNCHNI-STQMWFEESA-N 2 0 278.465 3.588 10 0 CHAERP CC(C)=CC[NH2+]C[C@@H]1CCCN(Cc2cccs2)C1 ZINC000192301022 1125331927 /nfs/dbraw/zinc/33/19/27/1125331927.db2.gz WKYMPMFOGRTODB-HNNXBMFYSA-N 2 0 278.465 3.516 10 0 CHAERP CC[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cccc(Cl)c1 ZINC000021506106 171308262 /nfs/dbraw/zinc/30/82/62/171308262.db2.gz AFDBMTGZJBFOJN-OAHLLOKOSA-N 2 0 282.859 3.969 10 0 CHAERP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000021803584 171326667 /nfs/dbraw/zinc/32/66/67/171326667.db2.gz HIMSFAQGEVCELA-CABCVRRESA-N 2 0 268.489 3.769 10 0 CHAERP CC[C@@H](C)C[C@@](CC)(C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000021814383 171331491 /nfs/dbraw/zinc/33/14/91/171331491.db2.gz HSSWDHIDKXJORU-QAPCUYQASA-N 2 0 274.452 3.588 10 0 CHAERP CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)CCC(C)C)C1 ZINC000037220345 173037648 /nfs/dbraw/zinc/03/76/48/173037648.db2.gz GFCRIEDZGKRUND-BBWFWOEESA-N 2 0 268.489 3.911 10 0 CHAERP CCCC(CCC)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000038041625 174043063 /nfs/dbraw/zinc/04/30/63/174043063.db2.gz BRZUWGYPSSESAZ-OAHLLOKOSA-N 2 0 254.462 3.667 10 0 CHAERP CCC[NH+]1CCC([C@H](C)[NH2+][C@@H](C)[C@@H](C)CC)CC1 ZINC000042553293 174791552 /nfs/dbraw/zinc/79/15/52/174791552.db2.gz NQXMINIIJHNLFC-KKUMJFAQSA-N 2 0 254.462 3.521 10 0 CHAERP CC[NH2+]Cc1sc2ccccc2c1C[NH+](CC)CC ZINC000045206366 175328362 /nfs/dbraw/zinc/32/83/62/175328362.db2.gz DTIXVGVCMGCFBA-UHFFFAOYSA-N 2 0 276.449 3.853 10 0 CHAERP CC[NH2+]Cc1sc2ccccc2c1C[NH+]1CCCC1 ZINC000045206367 175328562 /nfs/dbraw/zinc/32/85/62/175328562.db2.gz LVYMSZDSBYBISZ-UHFFFAOYSA-N 2 0 274.433 3.607 10 0 CHAERP CC(C)(C)c1ccc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000070169450 260152582 /nfs/dbraw/zinc/15/25/82/260152582.db2.gz OOLVELPYRKSHGK-OAHLLOKOSA-N 2 0 274.452 3.545 10 0 CHAERP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccc2ccccc2c1 ZINC000128488049 260374723 /nfs/dbraw/zinc/37/47/23/260374723.db2.gz AYYPCQBEENVURK-GOSISDBHSA-N 2 0 270.420 3.645 10 0 CHAERP C[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000049856226 328380229 /nfs/dbraw/zinc/38/02/29/328380229.db2.gz LGLQMRLJQQDCEN-CZUORRHYSA-N 2 0 280.843 3.865 10 0 CHAERP CCCC[C@@H]([NH2+]C[C@@H]1CCCN1C)c1ccccc1 ZINC000219161505 333143193 /nfs/dbraw/zinc/14/31/93/333143193.db2.gz FHFJLCPEXSFELI-DLBZAZTESA-N 2 0 260.425 3.602 10 0 CHAERP CC(C)CC[N@H+](C)Cc1ccc(C[NH2+]C(C)(C)C)o1 ZINC000052545840 519650777 /nfs/dbraw/zinc/65/07/77/519650777.db2.gz OZRDLLZUGRONHP-UHFFFAOYSA-N 2 0 266.429 3.646 10 0 CHAERP CCC[NH2+]Cc1ccoc1C[N@@H+]1CCCC[C@H]1CC ZINC000052447398 519957962 /nfs/dbraw/zinc/95/79/62/519957962.db2.gz VCFDBXJPHVDZBF-OAHLLOKOSA-N 2 0 264.413 3.544 10 0 CHAERP CCCCC[N@H+](C)Cc1cccc(C[NH2+]C(C)C)c1 ZINC000052454670 520151223 /nfs/dbraw/zinc/15/12/23/520151223.db2.gz AYCPTHOTCLZOPE-UHFFFAOYSA-N 2 0 262.441 3.807 10 0 CHAERP CCC[C@H](c1cccs1)[NH+]1CCC([NH2+]CC)CC1 ZINC000049545592 521196340 /nfs/dbraw/zinc/19/63/40/521196340.db2.gz PGYZIZLETPLNBK-CQSZACIVSA-N 2 0 266.454 3.663 10 0 CHAERP CCC(CC)[N@H+](C)Cc1oc2ccccc2c1C[NH3+] ZINC000052478147 521541758 /nfs/dbraw/zinc/54/17/58/521541758.db2.gz RZERRXJGROKOEC-UHFFFAOYSA-N 2 0 260.381 3.512 10 0 CHAERP CC(C)[NH2+]CCC[C@H](C)[N@H+](Cc1ccsc1)C1CC1 ZINC000052542089 519720962 /nfs/dbraw/zinc/72/09/62/519720962.db2.gz NBVVUXRDNQUYRT-AWEZNQCLSA-N 2 0 280.481 3.879 10 0 CHAERP CC(C)c1ccc(C[N@@H+]2CCCC[C@H]2CC[NH3+])cc1 ZINC000111380489 519835774 /nfs/dbraw/zinc/83/57/74/519835774.db2.gz KRRMNXPMLLDGBW-KRWDZBQOSA-N 2 0 260.425 3.513 10 0 CHAERP CCCC1CC[NH+]([C@H]2C[C@@H](CC)CC[C@@H]2C[NH3+])CC1 ZINC000050893148 519903341 /nfs/dbraw/zinc/90/33/41/519903341.db2.gz RPNCYEPEBGWPLD-UAGQMJEPSA-N 2 0 266.473 3.652 10 0 CHAERP CCCC1CC[NH+]([C@H](C)CC[NH2+]C(C)(C)C)CC1 ZINC000052374159 519903430 /nfs/dbraw/zinc/90/34/30/519903430.db2.gz MBAGSLPFVYLJLN-CQSZACIVSA-N 2 0 254.462 3.665 10 0 CHAERP CCC[NH2+]Cc1coc(C[N@H+](C)[C@@H](C)C(C)(C)C)c1 ZINC000052504488 519965828 /nfs/dbraw/zinc/96/58/28/519965828.db2.gz JUPXFLODVPWDDX-ZDUSSCGKSA-N 2 0 266.429 3.646 10 0 CHAERP CC[NH2+]Cc1cc(C[N@H+](C)[C@H](C)CC(C)C)c(C)o1 ZINC000052572073 519988373 /nfs/dbraw/zinc/98/83/73/519988373.db2.gz PYENAYGPVQGEBN-CYBMUJFWSA-N 2 0 266.429 3.564 10 0 CHAERP CCCCC[C@@H](C)[NH2+]CC1(CCC)CC[NH2+]CC1 ZINC000062850921 520286241 /nfs/dbraw/zinc/28/62/41/520286241.db2.gz QSAJGPXRFUJHTK-OAHLLOKOSA-N 2 0 254.462 3.715 10 0 CHAERP CCCC[NH+](CCCC)Cc1ccccc1C[NH2+]C ZINC000052443654 520497285 /nfs/dbraw/zinc/49/72/85/520497285.db2.gz VJNRWEQZRBRGCW-UHFFFAOYSA-N 2 0 262.441 3.808 10 0 CHAERP CC[N@H+](Cc1cc(C[NH2+]CC(C)C)c(C)o1)C(C)C ZINC000052446709 521288791 /nfs/dbraw/zinc/28/87/91/521288791.db2.gz MBDAFVIHKQFKSK-UHFFFAOYSA-N 2 0 266.429 3.564 10 0 CHAERP CC[C@H](C)C[N@H+](C)Cc1ccc(C[NH2+]C(C)C)cc1 ZINC000052454341 523869829 /nfs/dbraw/zinc/86/98/29/523869829.db2.gz FJZGOQWTFLVFKO-HNNXBMFYSA-N 2 0 262.441 3.663 10 0 CHAERP CC[C@H](C)[N@H+](C)Cc1cc(C[NH2+]C(C)(C)C)c(C)o1 ZINC000052444061 523923047 /nfs/dbraw/zinc/92/30/47/523923047.db2.gz ACOBTNMKOQYMMF-LBPRGKRZSA-N 2 0 266.429 3.706 10 0 CHAERP C[C@@H](CC[NH2+]C(C)(C)C)[N@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000052514260 524497077 /nfs/dbraw/zinc/49/70/77/524497077.db2.gz NMODFROKYYEWTL-QLFBSQMISA-N 2 0 254.462 3.664 10 0 CHAERP CC(C)=CC[NH2+]C[C@H]1CCCN(Cc2cccs2)C1 ZINC000192301029 1125331711 /nfs/dbraw/zinc/33/17/11/1125331711.db2.gz WKYMPMFOGRTODB-OAHLLOKOSA-N 2 0 278.465 3.516 10 0 CHAERP c1ccc(C[NH+]2CCC3(CC2)CC[NH+](C2CCC2)CC3)cc1 ZINC000095937839 185035232 /nfs/dbraw/zinc/03/52/32/185035232.db2.gz FIMUWOFTOPUJRT-UHFFFAOYSA-N 2 0 298.474 3.917 10 0 CHAERP Cc1ccc(C[NH2+]Cc2ccccc2C[NH+](C)C)c(C)c1 ZINC000020128546 171015208 /nfs/dbraw/zinc/01/52/08/171015208.db2.gz VUIOXJOUBLFIPL-UHFFFAOYSA-N 2 0 282.431 3.655 10 0 CHAERP C[C@H]([NH2+]Cc1ccccc1C[NH+](C)C)c1ccc(F)cc1 ZINC000020128624 171015378 /nfs/dbraw/zinc/01/53/78/171015378.db2.gz VTRUHHMZIARRJH-AWEZNQCLSA-N 2 0 286.394 3.738 10 0 CHAERP CC(C)C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccccc1 ZINC000020555569 171249784 /nfs/dbraw/zinc/24/97/84/171249784.db2.gz WFEMGUUVYKYUQL-QGZVFWFLSA-N 2 0 276.468 3.951 10 0 CHAERP CC[NH+](CC)CCC[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000021506276 171307969 /nfs/dbraw/zinc/30/79/69/171307969.db2.gz XVCIWVUXVJBKHE-BRWVUGGUSA-N 2 0 268.489 3.769 10 0 CHAERP CC[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000021518301 171314562 /nfs/dbraw/zinc/31/45/62/171314562.db2.gz KUWAPMXHHBRRHO-WMZOPIPTSA-N 2 0 274.452 3.992 10 0 CHAERP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000021803576 171326858 /nfs/dbraw/zinc/32/68/58/171326858.db2.gz HIMSFAQGEVCELA-LSDHHAIUSA-N 2 0 268.489 3.769 10 0 CHAERP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000035162124 172022182 /nfs/dbraw/zinc/02/21/82/172022182.db2.gz DUQGJGFIZZPQGI-QWEMWOLJSA-N 2 0 290.495 3.665 10 0 CHAERP CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+][C@@H](C)CCC(C)C)C1 ZINC000037220347 173038221 /nfs/dbraw/zinc/03/82/21/173038221.db2.gz GFCRIEDZGKRUND-GVDBMIGSSA-N 2 0 268.489 3.911 10 0 CHAERP CCC[NH+]1CCC([C@H](C)[NH2+]C2CCCCCC2)CC1 ZINC000037220259 173038313 /nfs/dbraw/zinc/03/83/13/173038313.db2.gz AJSJYOPKVHJIEI-HNNXBMFYSA-N 2 0 266.473 3.809 10 0 CHAERP CCCC[C@@H](CC)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](CC)C1 ZINC000037220524 173038872 /nfs/dbraw/zinc/03/88/72/173038872.db2.gz WXPZSIDKQXKICK-GVDBMIGSSA-N 2 0 268.489 3.913 10 0 CHAERP Cc1nccn1C[C@H]1CCC[N@@H+]1CCCc1cccc(C)c1 ZINC000181136639 329232780 /nfs/dbraw/zinc/23/27/80/329232780.db2.gz FJSHSGPKNCAQEL-LJQANCHMSA-N 2 0 297.446 3.597 10 0 CHAERP Cc1nccn1C[C@@H]1CCC[N@@H+]1CCCc1cccc(C)c1 ZINC000181136660 329232872 /nfs/dbraw/zinc/23/28/72/329232872.db2.gz FJSHSGPKNCAQEL-IBGZPJMESA-N 2 0 297.446 3.597 10 0 CHAERP c1ccc2c(c1)CCC[C@H]2[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000066533227 329849185 /nfs/dbraw/zinc/84/91/85/329849185.db2.gz MSIUQSIQTYAPGP-LJQANCHMSA-N 2 0 284.447 3.624 10 0 CHAERP CC(C)Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CC[NH2+]C2)cc1 ZINC000400526143 332712524 /nfs/dbraw/zinc/71/25/24/332712524.db2.gz QDIFHZBLGPGUAG-DAYGRLMNSA-N 2 0 274.452 3.534 10 0 CHAERP C[C@H]([NH2+][C@H](c1ccccc1)C(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC000517091678 333092600 /nfs/dbraw/zinc/09/26/00/333092600.db2.gz FOLLFCITQVLQIL-USXIJHARSA-N 2 0 274.452 3.752 10 0 CHAERP CC(C)(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000252876457 334398243 /nfs/dbraw/zinc/39/82/43/334398243.db2.gz WGRMGIZYUSHIOQ-RYQLBKOJSA-N 2 0 286.463 3.543 10 0 CHAERP CCCC[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](CCC)C1 ZINC000050887324 521152936 /nfs/dbraw/zinc/15/29/36/521152936.db2.gz REZHNJXDHFTEIE-ARFHVFGLSA-N 2 0 254.462 3.665 10 0 CHAERP CCC[NH+](CCC)Cc1ccc(C[NH2+]C(C)(C)C)o1 ZINC000052416750 521648943 /nfs/dbraw/zinc/64/89/43/521648943.db2.gz AERXMLNZIZOACY-UHFFFAOYSA-N 2 0 266.429 3.790 10 0 CHAERP CC(C)C[C@H](C)[N@H+](C)Cc1cc(C[NH2+]C(C)C)co1 ZINC000052571965 519311441 /nfs/dbraw/zinc/31/14/41/519311441.db2.gz VCXNKWFZAPUNLR-AWEZNQCLSA-N 2 0 266.429 3.644 10 0 CHAERP CC(C)[NH2+]CC[C@H](C)[N@H+](Cc1cccs1)C(C)C ZINC000052545058 519722066 /nfs/dbraw/zinc/72/20/66/519722066.db2.gz HSLPWRWRSUMHMW-AWEZNQCLSA-N 2 0 268.470 3.735 10 0 CHAERP CC(C)C[NH2+]CCC[C@H](C)[N@H+](C)C1CCCCC1 ZINC000052419364 519743533 /nfs/dbraw/zinc/74/35/33/519743533.db2.gz NWESBAMLZXHHFI-HNNXBMFYSA-N 2 0 254.462 3.665 10 0 CHAERP CCC[NH2+]CCC[C@H](C)[N@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000052513950 519913055 /nfs/dbraw/zinc/91/30/55/519913055.db2.gz GVEICEDJKYIKQJ-HRCADAONSA-N 2 0 254.462 3.665 10 0 CHAERP CCC[NH2+]Cc1ccc(C[N@H+](C)CC(C)(C)C)cc1 ZINC000052570171 519948528 /nfs/dbraw/zinc/94/85/28/519948528.db2.gz GNTVFEWVNOUQKI-UHFFFAOYSA-N 2 0 262.441 3.664 10 0 CHAERP CCC[NH2+]Cc1ccccc1C[N@H+](CCC)C(C)C ZINC000052450623 519957004 /nfs/dbraw/zinc/95/70/04/519957004.db2.gz OIYXVIZDNKUAHR-UHFFFAOYSA-N 2 0 262.441 3.807 10 0 CHAERP CCC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1C[N@H+](C)C1CC1 ZINC000054559743 520025023 /nfs/dbraw/zinc/02/50/23/520025023.db2.gz ASLVHXXBCZJJSI-BFYDXBDKSA-N 2 0 266.473 3.521 10 0 CHAERP CC[NH2+][C@H](C)CCC[NH+]1CCC(CC)(CC)CC1 ZINC000062953375 520172297 /nfs/dbraw/zinc/17/22/97/520172297.db2.gz FNTIUBCPXWFDTP-OAHLLOKOSA-N 2 0 254.462 3.667 10 0 CHAERP CCCC[N@H+](C)Cc1ccc(C[NH2+]CC(C)C)cc1 ZINC000052418045 520420566 /nfs/dbraw/zinc/42/05/66/520420566.db2.gz IRJKGTOTYGCDKB-UHFFFAOYSA-N 2 0 262.441 3.664 10 0 CHAERP CCCC[N@H+](C)Cc1c2ccccc2sc1C[NH3+] ZINC000052417995 520421721 /nfs/dbraw/zinc/42/17/21/520421721.db2.gz MZHOJDRTQJMEAE-UHFFFAOYSA-N 2 0 262.422 3.592 10 0 CHAERP CCCC[C@@H](CC)C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000062071039 521035280 /nfs/dbraw/zinc/03/52/80/521035280.db2.gz YYKLGTBATRUUTD-JKSUJKDBSA-N 2 0 254.462 3.524 10 0 CHAERP CC[N@H+](Cc1cccc(C[NH2+]C(C)(C)C)c1)C1CC1 ZINC000052451881 521340556 /nfs/dbraw/zinc/34/05/56/521340556.db2.gz IUTONZZBWBRQQJ-UHFFFAOYSA-N 2 0 260.425 3.559 10 0 CHAERP CCC[N@H+](Cc1ccoc1C[NH2+]C(C)(C)C)C(C)C ZINC000052450636 521692134 /nfs/dbraw/zinc/69/21/34/521692134.db2.gz LMOUCEGFUUULCY-UHFFFAOYSA-N 2 0 266.429 3.788 10 0 CHAERP C[NH2+]Cc1ccc(C[N@H+](C)C2CCCCCC2)cc1 ZINC000052482108 522116687 /nfs/dbraw/zinc/11/66/87/522116687.db2.gz HKQGGOQAELHADS-UHFFFAOYSA-N 2 0 260.425 3.561 10 0 CHAERP C[C@@H]1CCC[N@H+](Cc2c3ccccc3sc2C[NH3+])C1 ZINC000052381428 524228953 /nfs/dbraw/zinc/22/89/53/524228953.db2.gz WWVAOMWIRQIRIH-GFCCVEGCSA-N 2 0 274.433 3.592 10 0 CHAERP C[C@@H](C[NH2+]C(C)(C)C)C[N@H+](C)Cc1cccc(Cl)c1 ZINC000052508017 524734041 /nfs/dbraw/zinc/73/40/41/524734041.db2.gz IPCWRKYGJOQYRG-ZDUSSCGKSA-N 2 0 282.859 3.796 10 0 CHAERP C[C@H](C1CC[NH+](C[C@H]2CC=CCC2)CC1)[NH+]1CCCC1 ZINC000019885367 567879846 /nfs/dbraw/zinc/87/98/46/567879846.db2.gz BXQIMIUYSMKPQC-SJORKVTESA-N 2 0 276.468 3.539 10 0 CHAERP CCC(CC)[C@@H](C)[N@@H+]1CC[C@H](C[NH2+]C(C)(C)C)C1 ZINC000104431819 186000585 /nfs/dbraw/zinc/00/05/85/186000585.db2.gz FQVNBODNWQZTHL-ZIAGYGMSSA-N 2 0 254.462 3.521 10 0 CHAERP CCC(CC)[C@H](C)[N@@H+]1CC[C@H](C[NH2+]C(C)(C)C)C1 ZINC000104431823 186000772 /nfs/dbraw/zinc/00/07/72/186000772.db2.gz FQVNBODNWQZTHL-UONOGXRCSA-N 2 0 254.462 3.521 10 0 CHAERP CC[C@H](C)C[C@](CC)(C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000020556331 171249878 /nfs/dbraw/zinc/24/98/78/171249878.db2.gz GRJNOFZDHXXMNA-DOTOQJQBSA-N 2 0 262.441 3.662 10 0 CHAERP C[C@@H](CCc1ccccc1)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000021010329 171286808 /nfs/dbraw/zinc/28/68/08/171286808.db2.gz LRQCXDVTYHKZGG-ROUUACIJSA-N 2 0 288.479 3.862 10 0 CHAERP CC1CC[NH+](CCC[NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000021047891 171294587 /nfs/dbraw/zinc/29/45/87/171294587.db2.gz XFGJVNOJFUFHTE-IAGOWNOFSA-N 2 0 280.500 3.913 10 0 CHAERP Cc1cc(C)c(C[NH2+]CCC[NH+]2CCC(C)CC2)c(C)c1 ZINC000021516746 171312896 /nfs/dbraw/zinc/31/28/96/171312896.db2.gz NWQJFBIFHHWFKD-UHFFFAOYSA-N 2 0 288.479 3.823 10 0 CHAERP C[C@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCCc2ccccc21 ZINC000021813440 171330942 /nfs/dbraw/zinc/33/09/42/171330942.db2.gz PLIPIFWONCVPSF-QFBILLFUSA-N 2 0 286.463 3.918 10 0 CHAERP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)C12CC3CC(CC(C3)C1)C2 ZINC000021817482 171333349 /nfs/dbraw/zinc/33/33/49/171333349.db2.gz MZNLBXYTBJMEMW-ISOUWHGUSA-N 2 0 292.511 3.769 10 0 CHAERP CC[C@H](C)C[C@H](CC)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000022147285 171357227 /nfs/dbraw/zinc/35/72/27/171357227.db2.gz VDOMPRYJOHVYHF-RDJZCZTQSA-N 2 0 268.489 3.913 10 0 CHAERP CCC[NH+]1CCC([C@@H](C)[NH2+][C@@H](C)CCC(C)C)CC1 ZINC000037220322 173037786 /nfs/dbraw/zinc/03/77/86/173037786.db2.gz BFHBLAIRTBKWTK-JKSUJKDBSA-N 2 0 268.489 3.911 10 0 CHAERP CC(C)[C@H]([NH2+]CCC[NH+]1CCCCC1)c1cccs1 ZINC000037229284 173048899 /nfs/dbraw/zinc/04/88/99/173048899.db2.gz ARMXQIOSEVJPSQ-INIZCTEOSA-N 2 0 280.481 3.911 10 0 CHAERP CCC[NH+]1CCC([C@H](C)[NH2+][C@@H](C)CC(C)C)CC1 ZINC000037260293 173070972 /nfs/dbraw/zinc/07/09/72/173070972.db2.gz KKKMALPFLNWSJH-GJZGRUSLSA-N 2 0 254.462 3.521 10 0 CHAERP CCC[NH+]1CCC([C@H](C)[NH2+]CCCC(C)C)CC1 ZINC000038093586 174107650 /nfs/dbraw/zinc/10/76/50/174107650.db2.gz RGMMQKKTEQUHQR-HNNXBMFYSA-N 2 0 254.462 3.523 10 0 CHAERP CC[NH+](CC)Cc1c2ccccc2sc1C[NH2+]C1CC1 ZINC000045206374 175328474 /nfs/dbraw/zinc/32/84/74/175328474.db2.gz NUOCOHGBOJEZSU-UHFFFAOYSA-N 2 0 288.460 3.995 10 0 CHAERP CC(C)C[N@H+](CCC[C@H]([NH3+])c1ccccc1)C(C)C ZINC000071401917 176153861 /nfs/dbraw/zinc/15/38/61/176153861.db2.gz HQWASTXWPDGWLR-KRWDZBQOSA-N 2 0 262.441 3.833 10 0 CHAERP CC(C)Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)cc1 ZINC000400526401 332712592 /nfs/dbraw/zinc/71/25/92/332712592.db2.gz QDIFHZBLGPGUAG-MPGHIAIKSA-N 2 0 274.452 3.534 10 0 CHAERP C[C@@H]([NH2+][C@@H]1C=CCCC1)c1cccc(-n2ccnc2)c1 ZINC000189895536 333200121 /nfs/dbraw/zinc/20/01/21/333200121.db2.gz RPFWJLMCUBMGBG-GDBMZVCRSA-N 2 0 267.376 3.632 10 0 CHAERP Cc1cc(C(C)(C)C)cc(C)c1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000227073976 333275594 /nfs/dbraw/zinc/27/55/94/333275594.db2.gz JMUZSJJLAYTFCM-YJBOKZPZSA-N 2 0 288.479 3.770 10 0 CHAERP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)C1 ZINC000250699487 334348877 /nfs/dbraw/zinc/34/88/77/334348877.db2.gz NMMNPHPFCPUCTR-OAGGEKHMSA-N 2 0 266.473 3.523 10 0 CHAERP CC(C)[NH2+]CCCCC[N@@H+]1CCc2sccc2[C@@H]1C ZINC000052505552 519720553 /nfs/dbraw/zinc/72/05/53/519720553.db2.gz XFVNPOQJGSDKRM-AWEZNQCLSA-N 2 0 280.481 3.836 10 0 CHAERP CCC[NH2+]CCCCC[N@H+](C)[C@H]1CCCC[C@@H]1C ZINC000052546856 519912231 /nfs/dbraw/zinc/91/22/31/519912231.db2.gz SXVSTIFPTYCUCV-HOTGVXAUSA-N 2 0 254.462 3.667 10 0 CHAERP CCCCC[N@H+](C[C@@H](C)C[NH2+]C(C)(C)C)C(C)C ZINC000052544754 520175280 /nfs/dbraw/zinc/17/52/80/520175280.db2.gz ODWIIUIHTDDPNI-HNNXBMFYSA-N 2 0 256.478 3.911 10 0 CHAERP CC(C)[N@H+](CCC[C@H]1CCCC[NH2+]1)Cc1cccs1 ZINC000050953461 519645045 /nfs/dbraw/zinc/64/50/45/519645045.db2.gz IZAVYVZEEVKTTF-OAHLLOKOSA-N 2 0 280.481 3.881 10 0 CHAERP CC(C)[NH2+]CC[C@@H](C)[N@H+](Cc1cccs1)C(C)C ZINC000052545057 519722083 /nfs/dbraw/zinc/72/20/83/519722083.db2.gz HSLPWRWRSUMHMW-CQSZACIVSA-N 2 0 268.470 3.735 10 0 CHAERP CC(C)[NH2+]Cc1cccc(C[N@H+](C)[C@H](C)C(C)C)c1 ZINC000052478399 519727265 /nfs/dbraw/zinc/72/72/65/519727265.db2.gz OHJODTZCROUPPT-OAHLLOKOSA-N 2 0 262.441 3.661 10 0 CHAERP CC(C)[NH2+]Cc1cccc(C[N@H+](C)[C@@H](C)C(C)C)c1 ZINC000052478400 519727278 /nfs/dbraw/zinc/72/72/78/519727278.db2.gz OHJODTZCROUPPT-HNNXBMFYSA-N 2 0 262.441 3.661 10 0 CHAERP CC(C)[NH2+]Cc1ccccc1C[N@H+](C)CC(C)(C)C ZINC000052570208 519727728 /nfs/dbraw/zinc/72/77/28/519727728.db2.gz TVLMWXHRRWZDNR-UHFFFAOYSA-N 2 0 262.441 3.663 10 0 CHAERP CC[NH2+]CCC[C@@H](C)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000052346371 519920251 /nfs/dbraw/zinc/92/02/51/519920251.db2.gz DCHNHNQXZDRNQU-CYBMUJFWSA-N 2 0 268.832 3.550 10 0 CHAERP CC[N@H+](Cc1c2ccccc2sc1C[NH2+]C)C(C)C ZINC000052446519 521280797 /nfs/dbraw/zinc/28/07/97/521280797.db2.gz LUCXPTNCSRIHFR-UHFFFAOYSA-N 2 0 276.449 3.851 10 0 CHAERP CC[N@H+](Cc1ccccc1)[C@@H](C)CC[NH2+]C(C)(C)C ZINC000052443838 521374502 /nfs/dbraw/zinc/37/45/02/521374502.db2.gz DXCPXYQQIQHMTA-HNNXBMFYSA-N 2 0 262.441 3.675 10 0 CHAERP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C)C1)c1cccs1 ZINC000049529330 522691525 /nfs/dbraw/zinc/69/15/25/522691525.db2.gz RRQMZSLJLZZCED-MJBXVCDLSA-N 2 0 266.454 3.519 10 0 CHAERP CC[C@H](C)[N@H+](C)Cc1cc(C)c(C[NH2+]C(C)(C)C)o1 ZINC000052444353 523922982 /nfs/dbraw/zinc/92/29/82/523922982.db2.gz MIHRVQSHQINJSJ-ZDUSSCGKSA-N 2 0 266.429 3.706 10 0 CHAERP CC(C)[NH2+][C@@H](CC[C@H]([NH2+]C(C)C)C(C)C)C(C)C ZINC000616571160 570408987 /nfs/dbraw/zinc/40/89/87/570408987.db2.gz VSKWAJBOTZRIAY-HOTGVXAUSA-N 2 0 256.478 3.812 10 0 CHAERP CCC(C)(C)C1CCC2(CC1)[C@H]([NH3+])CC[N@@H+]2C(C)C ZINC000712012440 567836806 /nfs/dbraw/zinc/83/68/06/567836806.db2.gz NRLHFVAKPXFJQH-ISXOHVOVSA-N 2 0 266.473 3.793 10 0 CHAERP CCC[NH2+][C@@H]1CCCCC[C@@H]1C[NH+]1CCCCCC1 ZINC000103995778 185878263 /nfs/dbraw/zinc/87/82/63/185878263.db2.gz PIXVSMCFKWVEQM-IAGOWNOFSA-N 2 0 266.473 3.811 10 0 CHAERP CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000021500768 171304968 /nfs/dbraw/zinc/30/49/68/171304968.db2.gz JCSMDAODWUTVQV-CVEARBPZSA-N 2 0 266.473 3.667 10 0 CHAERP C[C@@H]1CCC[C@@H](C)C1[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000021517138 171313441 /nfs/dbraw/zinc/31/34/41/171313441.db2.gz KIMMUVXFBWZTQR-CHWSQXEVSA-N 2 0 266.473 3.710 10 0 CHAERP CC[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000021518300 171314469 /nfs/dbraw/zinc/31/44/69/171314469.db2.gz KUWAPMXHHBRRHO-FUHWJXTLSA-N 2 0 274.452 3.992 10 0 CHAERP [NH3+]Cc1ccccc1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000034601254 171845289 /nfs/dbraw/zinc/84/52/89/171845289.db2.gz YLRJPWKSLOZIHI-UHFFFAOYSA-N 2 0 294.442 3.600 10 0 CHAERP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000037220189 173037904 /nfs/dbraw/zinc/03/79/04/173037904.db2.gz KVYKLFJHDWFYKU-VNHYZAJKSA-N 2 0 280.843 3.721 10 0 CHAERP CC(C)CC[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000038041867 174044428 /nfs/dbraw/zinc/04/44/28/174044428.db2.gz WOWXUNSHIWGPQS-CVEARBPZSA-N 2 0 254.462 3.523 10 0 CHAERP CC[NH+](CC)CCC[C@@H](C)[NH2+]CC1CCC(C)CC1 ZINC000089575517 260188450 /nfs/dbraw/zinc/18/84/50/260188450.db2.gz VINOLNHNCNJNHN-AQFXKWCLSA-N 2 0 268.489 3.913 10 0 CHAERP C[C@@H](c1ccc2ccccc2c1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000093873103 327145912 /nfs/dbraw/zinc/14/59/12/327145912.db2.gz SDDGSTUYRLYKRL-AWEZNQCLSA-N 2 0 270.420 3.818 10 0 CHAERP C[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171640848 329075052 /nfs/dbraw/zinc/07/50/52/329075052.db2.gz QJMLLXXZYNPHJG-LSDHHAIUSA-N 2 0 299.393 3.716 10 0 CHAERP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000106868970 330341461 /nfs/dbraw/zinc/34/14/61/330341461.db2.gz MSXQQNWEAYGVIE-DUQPFJRNSA-N 2 0 278.484 3.664 10 0 CHAERP C[NH2+]CC1CC[NH+](CC2CCC(C(C)(C)C)CC2)CC1 ZINC000135294765 334124068 /nfs/dbraw/zinc/12/40/68/334124068.db2.gz BKHOOSUUYKCBEM-UHFFFAOYSA-N 2 0 280.500 3.770 10 0 CHAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)C1 ZINC000252439318 334380157 /nfs/dbraw/zinc/38/01/57/334380157.db2.gz NBMVVSFIRNESEE-BZUAXINKSA-N 2 0 266.473 3.523 10 0 CHAERP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)C1 ZINC000252439320 334380230 /nfs/dbraw/zinc/38/02/30/334380230.db2.gz NBMVVSFIRNESEE-PMPSAXMXSA-N 2 0 266.473 3.523 10 0 CHAERP CC(C)C[N@H+](C(C)C)[C@@H](C)CCC[NH2+]C(C)(C)C ZINC000052572632 519707793 /nfs/dbraw/zinc/70/77/93/519707793.db2.gz KOOFWGZMXWBHGB-HNNXBMFYSA-N 2 0 256.478 3.910 10 0 CHAERP CCC[C@@H](c1cccs1)[NH+]1CCC([NH2+]CC)CC1 ZINC000049545590 520811512 /nfs/dbraw/zinc/81/15/12/520811512.db2.gz PGYZIZLETPLNBK-AWEZNQCLSA-N 2 0 266.454 3.663 10 0 CHAERP CC[C@@H](C)[N@H+](C)Cc1cc(C)c(C[NH2+]C(C)(C)C)o1 ZINC000052444352 522063957 /nfs/dbraw/zinc/06/39/57/522063957.db2.gz MIHRVQSHQINJSJ-CYBMUJFWSA-N 2 0 266.429 3.706 10 0 CHAERP CC(C)(C)[NH2+]CCCC[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000052482445 518755676 /nfs/dbraw/zinc/75/56/76/518755676.db2.gz CJPKZMRLYQPQNR-HOTGVXAUSA-N 2 0 266.473 3.809 10 0 CHAERP CC(C)C[NH2+]CCCCC[N@H+](C)CC1CCCCC1 ZINC000052346810 519743309 /nfs/dbraw/zinc/74/33/09/519743309.db2.gz KYYQWWVGUSPVTO-UHFFFAOYSA-N 2 0 268.489 3.914 10 0 CHAERP CC(C)C[NH2+]CC[C@@H](C)[N@H+](C)C1CCC(C)CC1 ZINC000052345496 519744238 /nfs/dbraw/zinc/74/42/38/519744238.db2.gz MPXNBRKEAHVEEU-HWOWSKLDSA-N 2 0 254.462 3.521 10 0 CHAERP CC(C)[C@H]1C[N@H+](Cc2ccc(C(C)(C)C)cc2)CCC[NH2+]1 ZINC000062705207 519826839 /nfs/dbraw/zinc/82/68/39/519826839.db2.gz FBLCACILIRKVCC-GOSISDBHSA-N 2 0 288.479 3.804 10 0 CHAERP CCC1CCC([N@H+](C)C[C@H](C)C[NH2+]C(C)(C)C)CC1 ZINC000052345553 519853475 /nfs/dbraw/zinc/85/34/75/519853475.db2.gz URCHLGTYRZPFER-QQFBHYJXSA-N 2 0 268.489 3.911 10 0 CHAERP CCC[NH2+]Cc1ccc(C[N@H+](C)C(CC)CC)cc1 ZINC000052478199 519948596 /nfs/dbraw/zinc/94/85/96/519948596.db2.gz VHVDWNJRVRYETE-UHFFFAOYSA-N 2 0 262.441 3.807 10 0 CHAERP CCC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1[NH+]1CCCCC1 ZINC000054554705 520025163 /nfs/dbraw/zinc/02/51/63/520025163.db2.gz GWPWZBZEZIOOBX-ZACQAIPSSA-N 2 0 266.473 3.665 10 0 CHAERP CC[NH2+]Cc1occc1C[N@H+](CC)C1CCCCC1 ZINC000052420066 520030396 /nfs/dbraw/zinc/03/03/96/520030396.db2.gz GLVYGMQYMVAQKB-UHFFFAOYSA-N 2 0 264.413 3.544 10 0 CHAERP CC[N@H+](Cc1cc(C)c(C[NH2+]C(C)(C)C)o1)C(C)C ZINC000052447151 521287616 /nfs/dbraw/zinc/28/76/16/521287616.db2.gz MUSBHIPXDUUTJI-UHFFFAOYSA-N 2 0 266.429 3.706 10 0 CHAERP CC[N@H+](Cc1cccc(C[NH2+]C)c1)C1CCCCC1 ZINC000052420034 521341438 /nfs/dbraw/zinc/34/14/38/521341438.db2.gz UBDGFRLLKAMABU-UHFFFAOYSA-N 2 0 260.425 3.561 10 0 CHAERP C[N@H+](CCCCC[NH2+]C(C)(C)C)C1CCCCC1 ZINC000052419371 522728495 /nfs/dbraw/zinc/72/84/95/522728495.db2.gz CWJURELFYRRXEV-UHFFFAOYSA-N 2 0 254.462 3.809 10 0 CHAERP CC[C@H](C)[N@H+](C)Cc1c(C[NH3+])sc2cccc(F)c21 ZINC000052444111 523923380 /nfs/dbraw/zinc/92/33/80/523923380.db2.gz BJRHBYBXFDSVOH-JTQLQIEISA-N 2 0 280.412 3.729 10 0 CHAERP C[C@@H](CCC[NH2+]C(C)(C)C)[N@@H+]1CCC[C@@H](C)[C@H]1C ZINC000052373418 524456156 /nfs/dbraw/zinc/45/61/56/524456156.db2.gz WVRGNVUEOCVWPD-QLFBSQMISA-N 2 0 254.462 3.664 10 0 CHAERP C[C@@H](CCC[NH2+]C(C)(C)C)[NH+]1CCCCCCC1 ZINC000052425034 524456606 /nfs/dbraw/zinc/45/66/06/524456606.db2.gz HVNNZRGPTAJAII-HNNXBMFYSA-N 2 0 254.462 3.809 10 0 CHAERP CCC[NH2+][C@@H]1CCCC[C@H]1C[NH+]1CCCCCCC1 ZINC000104005688 185881072 /nfs/dbraw/zinc/88/10/72/185881072.db2.gz MOUQSOGVQNLFKC-DLBZAZTESA-N 2 0 266.473 3.811 10 0 CHAERP CC(C)CC[NH2+]C1CC[NH+](CCCc2ccccc2)CC1 ZINC000090769209 180038096 /nfs/dbraw/zinc/03/80/96/180038096.db2.gz RCXXJUVICVTYAY-UHFFFAOYSA-N 2 0 288.479 3.719 10 0 CHAERP CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]CC2(C)CCCC2)C1 ZINC000104447449 186006179 /nfs/dbraw/zinc/00/61/79/186006179.db2.gz KBNJIRPJEHOCCQ-HZPDHXFCSA-N 2 0 266.473 3.667 10 0 CHAERP C[C@H]1CC(C)(C)C[C@@](C[NH3+])([N@@H+]2CCc3ccccc3C2)C1 ZINC000020552829 171248390 /nfs/dbraw/zinc/24/83/90/171248390.db2.gz LNLOQXIKTZDOKA-KXBFYZLASA-N 2 0 286.463 3.588 10 0 CHAERP [NH3+][C@@H]1CCCCCCCCCC[C@@H]1[NH+]1CCCC1 ZINC000021511245 171310644 /nfs/dbraw/zinc/31/06/44/171310644.db2.gz RJUMBKUDPZXRPG-CVEARBPZSA-N 2 0 252.446 3.693 10 0 CHAERP C[C@H]1CCC[C@H](C)C1[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000021517140 171313452 /nfs/dbraw/zinc/31/34/52/171313452.db2.gz KIMMUVXFBWZTQR-STQMWFEESA-N 2 0 266.473 3.710 10 0 CHAERP CC1CC[NH+](CCC[NH2+]C2[C@H](C)CCC[C@@H]2C)CC1 ZINC000021817100 171332775 /nfs/dbraw/zinc/33/27/75/171332775.db2.gz AANWAIBBAHDBFU-SJPCQFCGSA-N 2 0 266.473 3.523 10 0 CHAERP C[C@@H](C[NH3+])C[NH+](C1CCCCC1)C1CCCCC1 ZINC000036677521 172651078 /nfs/dbraw/zinc/65/10/78/172651078.db2.gz CQAISSOLGJVVSM-AWEZNQCLSA-N 2 0 252.446 3.549 10 0 CHAERP CC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCCC1)c1ccccc1 ZINC000038041816 174042737 /nfs/dbraw/zinc/04/27/37/174042737.db2.gz KGURAGARTCIECH-AEFFLSMTSA-N 2 0 274.452 3.849 10 0 CHAERP CC(C)C[N@H+](CCC[C@@H]([NH3+])c1ccccc1)C(C)C ZINC000071401918 176153787 /nfs/dbraw/zinc/15/37/87/176153787.db2.gz HQWASTXWPDGWLR-QGZVFWFLSA-N 2 0 262.441 3.833 10 0 CHAERP C[NH2+]CCC1CC[NH+](Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000070189036 326868641 /nfs/dbraw/zinc/86/86/41/326868641.db2.gz UZXGORWWWKJECG-UHFFFAOYSA-N 2 0 288.479 3.806 10 0 CHAERP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc21 ZINC000251989405 334372613 /nfs/dbraw/zinc/37/26/13/334372613.db2.gz ZERXMOYVNBOSDR-OLMMMNRUSA-N 2 0 284.447 3.841 10 0 CHAERP CC[C@@H]1CC[C@@H]([NH2+]CCC[N@H+](C)C2CCCCC2)C1 ZINC000080459207 334171950 /nfs/dbraw/zinc/17/19/50/334171950.db2.gz PSCXLKQXHQADDZ-HZPDHXFCSA-N 2 0 266.473 3.809 10 0 CHAERP CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000252419973 334379337 /nfs/dbraw/zinc/37/93/37/334379337.db2.gz XBNCOFTXYQOTFJ-ZWRZTWNMSA-N 2 0 278.484 3.662 10 0 CHAERP CC(C)C[NH+](CC(C)C)[C@H](C)CCC[NH2+]C(C)C ZINC000052484995 519713699 /nfs/dbraw/zinc/71/36/99/519713699.db2.gz SWKKBRDOVWRICE-MRXNPFEDSA-N 2 0 256.478 3.767 10 0 CHAERP CC(C)(C)CC(C)(C)[NH2+]CCC[C@H]1CCCC[NH2+]1 ZINC000050953941 518629072 /nfs/dbraw/zinc/62/90/72/518629072.db2.gz IPFROFZAPDIXFX-CQSZACIVSA-N 2 0 254.462 3.713 10 0 CHAERP CC(C)CC[N@H+](C)Cc1cc(C[NH2+]CC(C)C)co1 ZINC000052545904 519650520 /nfs/dbraw/zinc/65/05/20/519650520.db2.gz APCBUJJNLLOIRJ-UHFFFAOYSA-N 2 0 266.429 3.503 10 0 CHAERP CC(C)C[NH2+]Cc1ccc(C[N@H+](C)[C@H](C)C(C)C)o1 ZINC000052478450 519747069 /nfs/dbraw/zinc/74/70/69/519747069.db2.gz CKIFFFLFPVSVCN-CQSZACIVSA-N 2 0 266.429 3.502 10 0 CHAERP CCCC1CC[NH+]([C@H]2C[C@H](CC)CC[C@@H]2C[NH3+])CC1 ZINC000050893146 519903615 /nfs/dbraw/zinc/90/36/15/519903615.db2.gz RPNCYEPEBGWPLD-OIISXLGYSA-N 2 0 266.473 3.652 10 0 CHAERP CCC[NH2+]Cc1cc(C[N@H+](C)[C@H](C)C(C)C)oc1C ZINC000052478428 519945531 /nfs/dbraw/zinc/94/55/31/519945531.db2.gz CNFSOSVXMORTCT-CYBMUJFWSA-N 2 0 266.429 3.564 10 0 CHAERP CCCC[NH+](CCCC)C[C@H]1CCC[C@@H]1[NH2+]CC ZINC000053864858 520497203 /nfs/dbraw/zinc/49/72/03/520497203.db2.gz DFJWKKODHFXGSR-CVEARBPZSA-N 2 0 254.462 3.667 10 0 CHAERP CCCC[C@@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](CCC)C1 ZINC000050887323 521011948 /nfs/dbraw/zinc/01/19/48/521011948.db2.gz REZHNJXDHFTEIE-BZUAXINKSA-N 2 0 254.462 3.665 10 0 CHAERP CCC(CC)C[N@H+](CC)C[C@@H](C)C[NH2+]C(C)(C)C ZINC000052540631 521519682 /nfs/dbraw/zinc/51/96/82/521519682.db2.gz KEGZHOFXCOQUFU-AWEZNQCLSA-N 2 0 256.478 3.769 10 0 CHAERP CCC(CC)[N@H+](C)Cc1occc1C[NH2+]C(C)(C)C ZINC000052478037 521542205 /nfs/dbraw/zinc/54/22/05/521542205.db2.gz RZFRIHPNTSHDMN-UHFFFAOYSA-N 2 0 266.429 3.788 10 0 CHAERP CCC(CC)[N@H+](C)C[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH3+] ZINC000054559897 521542501 /nfs/dbraw/zinc/54/25/01/521542501.db2.gz BLFGQYRLWJFYLC-YCPHGPKFSA-N 2 0 254.462 3.506 10 0 CHAERP C[N@H+](CCC[C@@H]1CCCC[NH2+]1)Cc1ccc(Cl)s1 ZINC000050953317 522786974 /nfs/dbraw/zinc/78/69/74/522786974.db2.gz VDPFKCPFAINPCY-LBPRGKRZSA-N 2 0 286.872 3.756 10 0 CHAERP Cc1ccc(C[N@@H+](C)[C@H](C)CC[NH2+]C(C)(C)C)cc1 ZINC000052424786 524401874 /nfs/dbraw/zinc/40/18/74/524401874.db2.gz BHRGXFRCGWJTIA-OAHLLOKOSA-N 2 0 262.441 3.594 10 0 CHAERP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000049551635 524479219 /nfs/dbraw/zinc/47/92/19/524479219.db2.gz QBQPBRRZTDANJC-KKUMJFAQSA-N 2 0 254.462 3.521 10 0 CHAERP CC(C)[NH2+][C@H](CC[C@@H]([NH2+]C(C)C)C(C)C)C(C)C ZINC000616571186 570408974 /nfs/dbraw/zinc/40/89/74/570408974.db2.gz VSKWAJBOTZRIAY-HZPDHXFCSA-N 2 0 256.478 3.812 10 0 CHAERP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000021047086 171294426 /nfs/dbraw/zinc/29/44/26/171294426.db2.gz QTACKTQGHNRGKW-KURKYZTESA-N 2 0 280.500 3.913 10 0 CHAERP C[C@@H]1CCC[C@@H](C)C1[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000021818482 171333630 /nfs/dbraw/zinc/33/36/30/171333630.db2.gz OWNYPJGEJVWEOT-OAGGEKHMSA-N 2 0 266.473 3.665 10 0 CHAERP CC[NH+]1CCC([C@@H](C)[NH2+]Cc2ccccc2Cl)CC1 ZINC000037209404 173030994 /nfs/dbraw/zinc/03/09/94/173030994.db2.gz KPRYXNOMISMPFG-CYBMUJFWSA-N 2 0 280.843 3.550 10 0 CHAERP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000037220192 173038272 /nfs/dbraw/zinc/03/82/72/173038272.db2.gz KVYKLFJHDWFYKU-UMVBOHGHSA-N 2 0 280.843 3.721 10 0 CHAERP CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]CCCC(C)C)C1 ZINC000038093580 174107446 /nfs/dbraw/zinc/10/74/46/174107446.db2.gz SPOUNXKJVPBDDH-HZPDHXFCSA-N 2 0 254.462 3.523 10 0 CHAERP Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCC[N@@H+]2C)cc1F ZINC000094955366 265278802 /nfs/dbraw/zinc/27/88/02/265278802.db2.gz JVRMJRNIYQRYIZ-GDBMZVCRSA-N 2 0 278.415 3.659 10 0 CHAERP Cc1ccccc1[C@@H](C)[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000049856246 328380388 /nfs/dbraw/zinc/38/03/88/328380388.db2.gz PPODYTVMVVTOTQ-CVEARBPZSA-N 2 0 260.425 3.520 10 0 CHAERP CC(C)c1ccc([C@H](C)[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261732242 327080480 /nfs/dbraw/zinc/08/04/80/327080480.db2.gz LFRLWFWYGVAEBZ-WMLDXEAASA-N 2 0 274.452 3.930 10 0 CHAERP CC(C)c1ccc([C@@H](C)[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261732239 327080536 /nfs/dbraw/zinc/08/05/36/327080536.db2.gz LFRLWFWYGVAEBZ-PBHICJAKSA-N 2 0 274.452 3.930 10 0 CHAERP C[C@H]([NH2+][C@@H](c1ccc(F)cc1)C(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000400726895 332719686 /nfs/dbraw/zinc/71/96/86/332719686.db2.gz PRFBHEAELHNUAW-BJJXKVORSA-N 2 0 278.415 3.501 10 0 CHAERP C[C@H]([NH2+][C@H]1C=CCCC1)c1cccc(-n2ccnc2)c1 ZINC000189895478 333200118 /nfs/dbraw/zinc/20/01/18/333200118.db2.gz RPFWJLMCUBMGBG-HOCLYGCPSA-N 2 0 267.376 3.632 10 0 CHAERP CC[C@@H]1CC[C@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)C1 ZINC000080426609 334171262 /nfs/dbraw/zinc/17/12/62/334171262.db2.gz URIXOZXEBNSAFL-AEFFLSMTSA-N 2 0 274.452 3.677 10 0 CHAERP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)c1 ZINC000251142775 334357181 /nfs/dbraw/zinc/35/71/81/334357181.db2.gz DLTXSKYDPJPSAN-BBWFWOEESA-N 2 0 272.436 3.581 10 0 CHAERP CC(C)(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)s1 ZINC000252842704 334396361 /nfs/dbraw/zinc/39/63/61/334396361.db2.gz CSPNJQHDAOWLED-QEJZJMRPSA-N 2 0 292.492 3.605 10 0 CHAERP CC(C)C[NH2+]CCC[C@@H](C)[N@H+](C)C1CCC(C)CC1 ZINC000052345436 519743564 /nfs/dbraw/zinc/74/35/64/519743564.db2.gz BGZSPNHRDYMQQR-AQFXKWCLSA-N 2 0 268.489 3.911 10 0 CHAERP CCC[NH2+]CCCCC[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000052546855 519911985 /nfs/dbraw/zinc/91/19/85/519911985.db2.gz SXVSTIFPTYCUCV-JKSUJKDBSA-N 2 0 254.462 3.667 10 0 CHAERP CC[NH2+]Cc1ccc(C[NH+](CC(C)C)CC(C)C)o1 ZINC000052484911 519996469 /nfs/dbraw/zinc/99/64/69/519996469.db2.gz BUHSEATZWRISDZ-UHFFFAOYSA-N 2 0 266.429 3.503 10 0 CHAERP CC(C)C1CCC([NH2+]CCCC[N@H+](C)C(C)C)CC1 ZINC000054556648 519566855 /nfs/dbraw/zinc/56/68/55/519566855.db2.gz TVLSOGZMTLDQFO-UHFFFAOYSA-N 2 0 268.489 3.911 10 0 CHAERP CC(C)C[NH+](CCC[C@H]1CCCC[NH2+]1)CC(C)C ZINC000050953023 519715740 /nfs/dbraw/zinc/71/57/40/519715740.db2.gz JJJRXUDVSUAZQZ-MRXNPFEDSA-N 2 0 254.462 3.523 10 0 CHAERP CC(C)[NH2+]CCCCC[N@H+](C)C1CCCCCC1 ZINC000052482104 519720650 /nfs/dbraw/zinc/72/06/50/519720650.db2.gz KWIDZHONESOENJ-UHFFFAOYSA-N 2 0 254.462 3.809 10 0 CHAERP CC[NH2+]Cc1ccccc1C[N@H+](CC)C1CCCC1 ZINC000052475611 520006669 /nfs/dbraw/zinc/00/66/69/520006669.db2.gz LQGMZBQVCIDGDS-UHFFFAOYSA-N 2 0 260.425 3.561 10 0 CHAERP CCCCC[N@H+](C)Cc1ccccc1C[NH2+]CCC ZINC000052454952 520152935 /nfs/dbraw/zinc/15/29/35/520152935.db2.gz ONCUBQYXQKEVRG-UHFFFAOYSA-N 2 0 262.441 3.808 10 0 CHAERP CCC(CC)[N@H+](C)Cc1ccccc1C[NH2+]C1CC1 ZINC000052478243 521542011 /nfs/dbraw/zinc/54/20/11/521542011.db2.gz ZMABUZVFMZCXAW-UHFFFAOYSA-N 2 0 260.425 3.559 10 0 CHAERP C[NH2+]Cc1cccc(C[NH+](CC(C)C)CC(C)C)c1 ZINC000052484885 522127406 /nfs/dbraw/zinc/12/74/06/522127406.db2.gz OVSDKYCLZIXJEI-UHFFFAOYSA-N 2 0 262.441 3.520 10 0 CHAERP CC[C@@H]1CCC[N@H+](CCCCC[NH2+]C(C)(C)C)C1 ZINC000052479843 523251188 /nfs/dbraw/zinc/25/11/88/523251188.db2.gz KCDWVFXKNGWMJV-OAHLLOKOSA-N 2 0 254.462 3.667 10 0 CHAERP CC[C@H](C)[N@H+](CC)Cc1cc(C[NH2+]C(C)(C)C)co1 ZINC000052451348 523934912 /nfs/dbraw/zinc/93/49/12/523934912.db2.gz UILWTGOZEIBYLC-ZDUSSCGKSA-N 2 0 266.429 3.788 10 0 CHAERP Cc1cccc(C[N@@H+](C)[C@H](C)CC[NH2+]C(C)(C)C)c1 ZINC000052346075 524379746 /nfs/dbraw/zinc/37/97/46/524379746.db2.gz VUWUIGCHZGGZJI-OAHLLOKOSA-N 2 0 262.441 3.594 10 0 CHAERP Cc1ccc(C[N@@H+](C)[C@@H](C)CC[NH2+]C(C)(C)C)cc1 ZINC000052424784 524398935 /nfs/dbraw/zinc/39/89/35/524398935.db2.gz BHRGXFRCGWJTIA-HNNXBMFYSA-N 2 0 262.441 3.594 10 0 CHAERP C[C@@H](C[NH2+]C(C)(C)C)C[NH+]1CCC(C(C)(C)C)CC1 ZINC000052373588 524734461 /nfs/dbraw/zinc/73/44/61/524734461.db2.gz XREMGRGJBGYMKO-AWEZNQCLSA-N 2 0 268.489 3.769 10 0 CHAERP Cc1ccccc1C[N@@H+](C)[C@H](C)CC[NH2+]C(C)(C)C ZINC000052547160 525129611 /nfs/dbraw/zinc/12/96/11/525129611.db2.gz UZVMWWBEDYKJMC-OAHLLOKOSA-N 2 0 262.441 3.594 10 0 CHAERP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000130206588 525946179 /nfs/dbraw/zinc/94/61/79/525946179.db2.gz DLTXSKYDPJPSAN-YESZJQIVSA-N 2 0 272.436 3.581 10 0 CHAERP CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]CC2(C)CCCC2)C1 ZINC000104447445 186006299 /nfs/dbraw/zinc/00/62/99/186006299.db2.gz KBNJIRPJEHOCCQ-CVEARBPZSA-N 2 0 266.473 3.667 10 0 CHAERP C[C@H]([NH2+]Cc1ccccc1C[NH+](C)C)c1ccccc1 ZINC000020128599 171015524 /nfs/dbraw/zinc/01/55/24/171015524.db2.gz HDNQXXGRDZXCJM-HNNXBMFYSA-N 2 0 268.404 3.599 10 0 CHAERP CC[NH+](CC)CCC[NH2+][C@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000021506278 171308031 /nfs/dbraw/zinc/30/80/31/171308031.db2.gz XVCIWVUXVJBKHE-ZACQAIPSSA-N 2 0 268.489 3.769 10 0 CHAERP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCCc2ccccc21 ZINC000021813439 171330936 /nfs/dbraw/zinc/33/09/36/171330936.db2.gz PLIPIFWONCVPSF-VQIMIIECSA-N 2 0 286.463 3.918 10 0 CHAERP Cc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000038041753 174043261 /nfs/dbraw/zinc/04/32/61/174043261.db2.gz RADDHTBCYBGGPR-IRXDYDNUSA-N 2 0 274.452 3.768 10 0 CHAERP CC(C)[NH2+]Cc1sc2ccccc2c1C[NH+]1CCCC1 ZINC000045206371 175328128 /nfs/dbraw/zinc/32/81/28/175328128.db2.gz MROJBTDREZLZNQ-UHFFFAOYSA-N 2 0 288.460 3.995 10 0 CHAERP C[N@H+](CCC[C@H]([NH3+])c1ccccc1)Cc1ccsc1 ZINC000071401691 176154112 /nfs/dbraw/zinc/15/41/12/176154112.db2.gz GGNNJMMUOYTFBI-INIZCTEOSA-N 2 0 274.433 3.660 10 0 CHAERP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070171450 260153286 /nfs/dbraw/zinc/15/32/86/260153286.db2.gz TUFFKCDQAILSQG-IVMMDQJWSA-N 2 0 280.843 3.850 10 0 CHAERP CCCn1ccc(C[NH2+]CCC[N@H+](C)C2CCCCC2)c1 ZINC000091012563 260264681 /nfs/dbraw/zinc/26/46/81/260264681.db2.gz CWDDUEXFPQNAIO-UHFFFAOYSA-N 2 0 291.483 3.642 10 0 CHAERP Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1coc2ccccc12 ZINC000180123515 329211922 /nfs/dbraw/zinc/21/19/22/329211922.db2.gz SCRLROJGQOPTBZ-INIZCTEOSA-N 2 0 295.386 3.602 10 0 CHAERP Cc1cc(C(C)(C)C)cc(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227073965 333275657 /nfs/dbraw/zinc/27/56/57/333275657.db2.gz JMUZSJJLAYTFCM-MAUKXSAKSA-N 2 0 288.479 3.770 10 0 CHAERP CC(C)[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccccc1Cl ZINC000091335717 334376428 /nfs/dbraw/zinc/37/64/28/334376428.db2.gz PYKXMUYGXVAXJC-YOEHRIQHSA-N 2 0 294.870 3.969 10 0 CHAERP CC1(C)CC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000381894221 336076261 /nfs/dbraw/zinc/07/62/61/336076261.db2.gz FTETWKFSRSQAJN-MANSERQUSA-N 2 0 298.474 3.675 10 0 CHAERP CCC[NH2+]CCC[C@H](C)[N@H+](CC)CC(CC)CC ZINC000052540705 519913236 /nfs/dbraw/zinc/91/32/36/519913236.db2.gz YMEYZVUCVOPUHX-HNNXBMFYSA-N 2 0 256.478 3.913 10 0 CHAERP CCCCC[N@H+](C)Cc1oc2ccccc2c1C[NH3+] ZINC000052454826 520153406 /nfs/dbraw/zinc/15/34/06/520153406.db2.gz GDVWRTQVGNILRN-UHFFFAOYSA-N 2 0 260.381 3.514 10 0 CHAERP CC(C)(C)c1ccc(C[N@@H+]2CCC[NH2+]C(C)(C)C2)cc1 ZINC000062668338 519026838 /nfs/dbraw/zinc/02/68/38/519026838.db2.gz SNXIDHVVMIDAHB-UHFFFAOYSA-N 2 0 274.452 3.558 10 0 CHAERP CC(C)[NH2+]Cc1cccc(C[N@@H+]2CCCC[C@H]2C)c1 ZINC000052378624 519727360 /nfs/dbraw/zinc/72/73/60/519727360.db2.gz NVNQRUMQLJDTMW-OAHLLOKOSA-N 2 0 260.425 3.559 10 0 CHAERP CCC[NH2+][C@H]1CCCC[C@@H]1C[N@H+](CC)C1CCCC1 ZINC000053858159 520092893 /nfs/dbraw/zinc/09/28/93/520092893.db2.gz FSDOTFNNFJIJML-WBVHZDCISA-N 2 0 266.473 3.809 10 0 CHAERP CCC[NH2+][C@H]1CC[N@@H+]([C@@H](C)C2CCCCC2)C[C@@H]1C ZINC000052340339 520094519 /nfs/dbraw/zinc/09/45/19/520094519.db2.gz GXRANKNCRSTYHH-ZOBUZTSGSA-N 2 0 266.473 3.665 10 0 CHAERP CCCC[NH+](CCCC)Cc1cc(C[NH2+]CC)co1 ZINC000052443600 520496496 /nfs/dbraw/zinc/49/64/96/520496496.db2.gz KOUVUDGOSFWEBU-UHFFFAOYSA-N 2 0 266.429 3.791 10 0 CHAERP C[C@H]1CCCC[C@@H]1[N@H+](C)CCCC[NH2+]C(C)(C)C ZINC000052546516 526256112 /nfs/dbraw/zinc/25/61/12/526256112.db2.gz GQYRMVWTWZMJTI-GJZGRUSLSA-N 2 0 254.462 3.665 10 0 CHAERP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ccc2ccccc2c1 ZINC000070148757 527191757 /nfs/dbraw/zinc/19/17/57/527191757.db2.gz FDDZQAASNUQMSL-SFHVURJKSA-N 2 0 268.404 3.543 10 0 CHAERP [NH3+]C[C@@H]1CCCCC[C@@H]1[NH+]1CCC2(CCCC2)CC1 ZINC000062952279 527207348 /nfs/dbraw/zinc/20/73/48/527207348.db2.gz LBMRCEMJZXZKFG-HOTGVXAUSA-N 2 0 264.457 3.550 10 0 CHAERP CC(C)c1ccc([C@H](CCC[NH3+])[NH+]2CCCC2)cc1 ZINC000019674029 170836637 /nfs/dbraw/zinc/83/66/37/170836637.db2.gz XKWYSJYZTQWBOY-KRWDZBQOSA-N 2 0 260.425 3.686 10 0 CHAERP CC[NH+](CC)CCC[C@H](C)[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000019914787 170924749 /nfs/dbraw/zinc/92/47/49/170924749.db2.gz FMHQYYMVVBVDGE-JYJNAYRXSA-N 2 0 268.489 3.911 10 0 CHAERP C[C@@H](C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1 ZINC000020143450 171029015 /nfs/dbraw/zinc/02/90/15/171029015.db2.gz YNYYHPYJXJSTHG-AWEZNQCLSA-N 2 0 274.452 3.689 10 0 CHAERP CC[C@@H](C)C[C@](CC)(C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000021814385 171331637 /nfs/dbraw/zinc/33/16/37/171331637.db2.gz HSSWDHIDKXJORU-CRAIPNDOSA-N 2 0 274.452 3.588 10 0 CHAERP CC1CC[NH+](CCC[NH2+]C2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000021817098 171332791 /nfs/dbraw/zinc/33/27/91/171332791.db2.gz AANWAIBBAHDBFU-HOTGVXAUSA-N 2 0 266.473 3.523 10 0 CHAERP CCC[C@@H]1CC[C@@H](C[NH3+])[C@H]([NH+](CCC)CCC)C1 ZINC000037157624 172991865 /nfs/dbraw/zinc/99/18/65/172991865.db2.gz DVFFANCAMKOXIG-OWCLPIDISA-N 2 0 254.462 3.652 10 0 CHAERP CCCCCC[NH2+][C@H](C)C1CC[NH+](CCC)CC1 ZINC000037221224 173040235 /nfs/dbraw/zinc/04/02/35/173040235.db2.gz PJCBUPRHBWACEO-OAHLLOKOSA-N 2 0 254.462 3.667 10 0 CHAERP CCCC(CCC)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000038041626 174043510 /nfs/dbraw/zinc/04/35/10/174043510.db2.gz BRZUWGYPSSESAZ-HNNXBMFYSA-N 2 0 254.462 3.667 10 0 CHAERP Cc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000038041751 174043702 /nfs/dbraw/zinc/04/37/02/174043702.db2.gz RADDHTBCYBGGPR-SJORKVTESA-N 2 0 274.452 3.768 10 0 CHAERP [NH3+][C@@H]1CCC[C@H]2CN(Cc3cc(Cl)ccc3Cl)C[C@H]21 ZINC000228471236 262339125 /nfs/dbraw/zinc/33/91/25/262339125.db2.gz AZKJYZSBSYDKBM-PSOPSSQASA-N 2 0 299.245 3.553 10 0 CHAERP CCCN(Cc1ccc(C(C)(C)C)s1)[C@@H]1CC[NH2+]C1 ZINC000166172364 331306701 /nfs/dbraw/zinc/30/67/01/331306701.db2.gz RECOWKXUCGBVEY-CYBMUJFWSA-N 2 0 280.481 3.620 10 0 CHAERP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)C1 ZINC000252439319 334380047 /nfs/dbraw/zinc/38/00/47/334380047.db2.gz NBMVVSFIRNESEE-OAGGEKHMSA-N 2 0 266.473 3.523 10 0 CHAERP CC(C)C[NH2+]CC[C@@H](C)[NH+]1CCC2(CCCC2)CC1 ZINC000062958634 519743952 /nfs/dbraw/zinc/74/39/52/519743952.db2.gz RZOGINQZTDDJBE-MRXNPFEDSA-N 2 0 266.473 3.667 10 0 CHAERP CCCC1CC[NH+]([C@@H](C)CCC[NH2+]CC(C)C)CC1 ZINC000052374027 519902918 /nfs/dbraw/zinc/90/29/18/519902918.db2.gz CWJSSKWADIEREM-INIZCTEOSA-N 2 0 268.489 3.913 10 0 CHAERP CC[C@@H](C)[N@H+](C)Cc1c(C[NH3+])sc2cccc(F)c21 ZINC000052444110 522063133 /nfs/dbraw/zinc/06/31/33/522063133.db2.gz BJRHBYBXFDSVOH-SNVBAGLBSA-N 2 0 280.412 3.729 10 0 CHAERP CC(C)C[NH2+]CCC[C@@H](C)[N@H+](C)Cc1ccsc1 ZINC000052457336 519743696 /nfs/dbraw/zinc/74/36/96/519743696.db2.gz WBGGMOQQSVPYCV-CQSZACIVSA-N 2 0 268.470 3.594 10 0 CHAERP CC(C)C[NH2+]Cc1ccc(C[N@H+](C)[C@@H](C)C(C)C)o1 ZINC000052478449 519747135 /nfs/dbraw/zinc/74/71/35/519747135.db2.gz CKIFFFLFPVSVCN-AWEZNQCLSA-N 2 0 266.429 3.502 10 0 CHAERP CCCC1CC[NH+]([C@@H]2C[C@@H](CC)CC[C@@H]2C[NH3+])CC1 ZINC000050893147 519903466 /nfs/dbraw/zinc/90/34/66/519903466.db2.gz RPNCYEPEBGWPLD-USXIJHARSA-N 2 0 266.473 3.652 10 0 CHAERP CC[NH2+]CCC[C@H](C)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000052346372 519920280 /nfs/dbraw/zinc/92/02/80/519920280.db2.gz DCHNHNQXZDRNQU-ZDUSSCGKSA-N 2 0 268.832 3.550 10 0 CHAERP CCC[NH2+]Cc1cccc(C[NH+](CCC)CCC)c1 ZINC000052416725 519955342 /nfs/dbraw/zinc/95/53/42/519955342.db2.gz JEIUGDIPGMFKHZ-UHFFFAOYSA-N 2 0 262.441 3.808 10 0 CHAERP CC[N@H+]([C@H](C)CCC[NH2+]C(C)(C)C)C1CCCC1 ZINC000052457826 521476662 /nfs/dbraw/zinc/47/66/62/521476662.db2.gz PPFKZIHBXIPPDX-CQSZACIVSA-N 2 0 254.462 3.808 10 0 CHAERP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](c1cccs1)C(C)C ZINC000054628791 521956569 /nfs/dbraw/zinc/95/65/69/521956569.db2.gz AAQCEXWHHPWCAN-NQKGRLOXSA-N 2 0 278.465 3.660 10 0 CHAERP CC[C@@H](C)[N@H+](CC)Cc1cc(C[NH2+]C(C)(C)C)co1 ZINC000052451346 522085354 /nfs/dbraw/zinc/08/53/54/522085354.db2.gz UILWTGOZEIBYLC-CYBMUJFWSA-N 2 0 266.429 3.788 10 0 CHAERP C[C@H]1CCCC[C@@H]1[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000021812233 171329808 /nfs/dbraw/zinc/32/98/08/171329808.db2.gz ZETGRTJIZYRIIM-WMZOPIPTSA-N 2 0 274.452 3.677 10 0 CHAERP C[C@H]1CCC[C@H](C)C1[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000021818486 171333537 /nfs/dbraw/zinc/33/35/37/171333537.db2.gz OWNYPJGEJVWEOT-JYJNAYRXSA-N 2 0 266.473 3.665 10 0 CHAERP CCCCCC[NH2+][C@@H](C)C1CC[NH+](CCC)CC1 ZINC000037221223 173040195 /nfs/dbraw/zinc/04/01/95/173040195.db2.gz PJCBUPRHBWACEO-HNNXBMFYSA-N 2 0 254.462 3.667 10 0 CHAERP CCC[NH+]1CCC([C@@H](C)[NH2+][C@H](C)CC(C)C)CC1 ZINC000037260295 173070781 /nfs/dbraw/zinc/07/07/81/173070781.db2.gz KKKMALPFLNWSJH-HUUCEWRRSA-N 2 0 254.462 3.521 10 0 CHAERP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228474284 262338828 /nfs/dbraw/zinc/33/88/28/262338828.db2.gz BLUQLRQXWHBRED-RKTXRCNFSA-N 2 0 292.854 3.850 10 0 CHAERP CCc1ccc([C@H](C)[NH2+]CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000049856244 328380298 /nfs/dbraw/zinc/38/02/98/328380298.db2.gz LQWZTHQSZSBDBZ-MAUKXSAKSA-N 2 0 274.452 3.774 10 0 CHAERP C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1cccc(Cl)c1 ZINC000049856216 328380348 /nfs/dbraw/zinc/38/03/48/328380348.db2.gz CXKZMWZXURBDKU-XJKSGUPXSA-N 2 0 280.843 3.865 10 0 CHAERP C[C@@H]([NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1)[C@@H]1CC[NH2+]C1 ZINC000400508730 332712452 /nfs/dbraw/zinc/71/24/52/332712452.db2.gz KTUCOVVOELJKIH-SQWLQELKSA-N 2 0 274.452 3.633 10 0 CHAERP CC[C@H](c1ccc(F)cc1)[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000226430953 333260788 /nfs/dbraw/zinc/26/07/88/333260788.db2.gz RHSBGVCUHUOVGA-HZPDHXFCSA-N 2 0 266.404 3.582 10 0 CHAERP C[C@H](c1ccccc1)[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000230003312 333312366 /nfs/dbraw/zinc/31/23/66/333312366.db2.gz OCHRXKDKDSHCKJ-MRXNPFEDSA-N 2 0 268.404 3.599 10 0 CHAERP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H](C)c1ccc(F)c(Cl)c1 ZINC000251344781 334360136 /nfs/dbraw/zinc/36/01/36/334360136.db2.gz QWVJWOADHIHMLN-ABAIWWIYSA-N 2 0 286.822 3.845 10 0 CHAERP CC(C)[NH2+]C[C@H](C(C)C)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000052482190 519724213 /nfs/dbraw/zinc/72/42/13/519724213.db2.gz PXOCKUINDVAIAB-GVDBMIGSSA-N 2 0 266.473 3.521 10 0 CHAERP CCC[NH2+]Cc1ccoc1C[N@@H+]1CCCC[C@@H]1CC ZINC000052447396 519958928 /nfs/dbraw/zinc/95/89/28/519958928.db2.gz VCFDBXJPHVDZBF-HNNXBMFYSA-N 2 0 264.413 3.544 10 0 CHAERP CCC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1C[N@H+](C)C1CC1 ZINC000054559744 520095488 /nfs/dbraw/zinc/09/54/88/520095488.db2.gz ASLVHXXBCZJJSI-INMHGKMJSA-N 2 0 266.473 3.521 10 0 CHAERP CCCCC[N@H+](C)Cc1occc1C[NH2+]C(C)(C)C ZINC000052454690 520151430 /nfs/dbraw/zinc/15/14/30/520151430.db2.gz MFYRZAPLRGACAJ-UHFFFAOYSA-N 2 0 266.429 3.790 10 0 CHAERP CC(C)C[NH2+]CCCC[N@H+](C)[C@@H](C)c1cccs1 ZINC000052506439 519743440 /nfs/dbraw/zinc/74/34/40/519743440.db2.gz BCUYJAWIXAOBKW-AWEZNQCLSA-N 2 0 268.470 3.767 10 0 CHAERP CCCCC[N@H+](C)Cc1cc(C[NH2+]C(C)C)oc1C ZINC000052454941 520151722 /nfs/dbraw/zinc/15/17/22/520151722.db2.gz GILJIYGGGZWPKY-UHFFFAOYSA-N 2 0 266.429 3.708 10 0 CHAERP CC[N@H+]([C@@H](C)CCC[NH2+]C(C)(C)C)C1CCCC1 ZINC000052457825 521473054 /nfs/dbraw/zinc/47/30/54/521473054.db2.gz PPFKZIHBXIPPDX-AWEZNQCLSA-N 2 0 254.462 3.808 10 0 CHAERP CC[C@@H](C)[N@H+](CC)Cc1ccc(C[NH2+]C2CC2)cc1 ZINC000052451443 522084367 /nfs/dbraw/zinc/08/43/67/522084367.db2.gz DLTXQJPDCWUYAH-CQSZACIVSA-N 2 0 260.425 3.559 10 0 CHAERP c1ccc(C[NH+]2CCC3(CC[N@@H+](C4CCC4)C3)CC2)cc1 ZINC000095937483 185034501 /nfs/dbraw/zinc/03/45/01/185034501.db2.gz MOGHSFLJXIBNPX-UHFFFAOYSA-N 2 0 284.447 3.527 10 0 CHAERP c1ccc(C[N@H+]2CCCC[C@@H]2CCC[NH2+]C2CC2)cc1 ZINC000095081021 184937177 /nfs/dbraw/zinc/93/71/77/184937177.db2.gz KWOIIZFEINVPKC-GOSISDBHSA-N 2 0 272.436 3.573 10 0 CHAERP NC(=[NH2+])CCC[NH+](C1CCCCC1)C1CCCCC1 ZINC000019808653 170877667 /nfs/dbraw/zinc/87/76/67/170877667.db2.gz UQDXHWZAWJEWFO-UHFFFAOYSA-N 2 0 265.445 3.670 10 0 CHAERP C[C@H](C1CC[NH+](C[C@@H]2CC=CCC2)CC1)[NH+]1CCCC1 ZINC000019885371 170909335 /nfs/dbraw/zinc/90/93/35/170909335.db2.gz BXQIMIUYSMKPQC-IAGOWNOFSA-N 2 0 276.468 3.539 10 0 CHAERP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1[C@H](C)CCC[C@@H]1C ZINC000019914789 170924996 /nfs/dbraw/zinc/92/49/96/170924996.db2.gz FMHQYYMVVBVDGE-LVYZTWJOSA-N 2 0 268.489 3.911 10 0 CHAERP C[NH+](C)Cc1ccccc1C[NH2+]Cc1ccccc1Cl ZINC000020128548 171015657 /nfs/dbraw/zinc/01/56/57/171015657.db2.gz JOWDXFYHZVRXFB-UHFFFAOYSA-N 2 0 288.822 3.691 10 0 CHAERP CC[NH+](CC)CCC[NH2+][C@H](C)c1c(C)cc(C)cc1C ZINC000020556914 171250186 /nfs/dbraw/zinc/25/01/86/171250186.db2.gz YPKSAAHVHHPPCP-QGZVFWFLSA-N 2 0 276.468 3.994 10 0 CHAERP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2C[C@@H]3CC=C[C@H]23)cc1 ZINC000035017952 171935401 /nfs/dbraw/zinc/93/54/01/171935401.db2.gz AVXXHHKKCQQCTO-GBESFXJTSA-N 2 0 284.447 3.583 10 0 CHAERP CCC[NH+]1CCC([C@@H](C)[NH2+][C@H]2CCCC[C@@H]2C)CC1 ZINC000037210024 173032129 /nfs/dbraw/zinc/03/21/29/173032129.db2.gz OQVOCGBXOHMFKO-UXLLHSPISA-N 2 0 266.473 3.665 10 0 CHAERP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000037220188 173038235 /nfs/dbraw/zinc/03/82/35/173038235.db2.gz KVYKLFJHDWFYKU-KCQAQPDRSA-N 2 0 280.843 3.721 10 0 CHAERP C[C@@H](C[NH2+][C@@H](C)CCc1ccccc1)C[NH+]1CCCCC1 ZINC000038041748 174042804 /nfs/dbraw/zinc/04/28/04/174042804.db2.gz GEGZBMDGOPSAPU-ROUUACIJSA-N 2 0 288.479 3.719 10 0 CHAERP C[C@H](CCc1ccccc1)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000038041749 174043670 /nfs/dbraw/zinc/04/36/70/174043670.db2.gz GEGZBMDGOPSAPU-ZWKOTPCHSA-N 2 0 288.479 3.719 10 0 CHAERP C[C@H](C[NH2+][C@H]1CCCc2ccccc21)C[NH+]1CCCCC1 ZINC000038041877 174044353 /nfs/dbraw/zinc/04/43/53/174044353.db2.gz XJFMPAJCQUBECA-APWZRJJASA-N 2 0 286.463 3.776 10 0 CHAERP CCCC[NH+](CCCC)Cc1ccc(F)cc1C[NH3+] ZINC000071250145 176094891 /nfs/dbraw/zinc/09/48/91/176094891.db2.gz MQPBLYLSEZBQND-UHFFFAOYSA-N 2 0 266.404 3.687 10 0 CHAERP C[NH2+]CC1CC[NH+]([C@@H](C)c2ccc(C(C)(C)C)cc2)CC1 ZINC000063158865 328040357 /nfs/dbraw/zinc/04/03/57/328040357.db2.gz BXYOMEUOMRHSPL-HNNXBMFYSA-N 2 0 288.479 3.977 10 0 CHAERP C[C@H]1C[N@H+](CC2CCC(C(C)(C)C)CC2)CC[C@H]1[NH3+] ZINC000252684168 327025318 /nfs/dbraw/zinc/02/53/18/327025318.db2.gz GADBGPVIYYMZDA-SLTXQBBLSA-N 2 0 266.473 3.508 10 0 CHAERP C[C@H](C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1)C[NH+]1CCCC1 ZINC000057994359 330380346 /nfs/dbraw/zinc/38/03/46/330380346.db2.gz APROOFNKCOEAMI-BZUAXINKSA-N 2 0 266.473 3.523 10 0 CHAERP C[C@@H]1C[C@H]([NH2+]CC2(C)CC[NH+](C)CC2)CC(C)(C)C1 ZINC000227330314 333280813 /nfs/dbraw/zinc/28/08/13/333280813.db2.gz VOIICUCLIAAIJR-CABCVRRESA-N 2 0 266.473 3.523 10 0 CHAERP C[C@H]1C[N@H+](CC2CCC(C(C)(C)C)CC2)CC[C@@H]1[NH3+] ZINC000135296233 334124140 /nfs/dbraw/zinc/12/41/40/334124140.db2.gz GADBGPVIYYMZDA-LBDPXKHJSA-N 2 0 266.473 3.508 10 0 CHAERP CC[C@H]1CC[C@@H]([NH2+]CCC[N@H+](C)C2CCCCC2)C1 ZINC000080459209 334171975 /nfs/dbraw/zinc/17/19/75/334171975.db2.gz PSCXLKQXHQADDZ-JKSUJKDBSA-N 2 0 266.473 3.809 10 0 CHAERP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252840199 334396385 /nfs/dbraw/zinc/39/63/85/334396385.db2.gz BLUQLRQXWHBRED-QMCVQRASSA-N 2 0 292.854 3.850 10 0 CHAERP CCC[NH2+]Cc1oc(C[N@H+](CCC)C(C)C)cc1C ZINC000052450705 519972180 /nfs/dbraw/zinc/97/21/80/519972180.db2.gz WOLKCORVDGHRCB-UHFFFAOYSA-N 2 0 266.429 3.708 10 0 CHAERP CC[NH2+]Cc1oc(C[N@H+](C)[C@H](C)CC(C)C)cc1C ZINC000052572175 520027305 /nfs/dbraw/zinc/02/73/05/520027305.db2.gz XSPKMLSDRUCKOT-CQSZACIVSA-N 2 0 266.429 3.564 10 0 CHAERP CCCC[N@H+](CC)Cc1oc2ccccc2c1C[NH3+] ZINC000052418791 520477946 /nfs/dbraw/zinc/47/79/46/520477946.db2.gz XORJVFHSBQUFIW-UHFFFAOYSA-N 2 0 260.381 3.514 10 0 CHAERP CCC[C@H](C)[N@H+](C)Cc1ccccc1C[NH2+]C1CC1 ZINC000052480789 521035687 /nfs/dbraw/zinc/03/56/87/521035687.db2.gz VYOJGQQCLDCEAI-AWEZNQCLSA-N 2 0 260.425 3.559 10 0 CHAERP CCC[N@H+](CC)Cc1cc(C[NH2+]CC(C)C)oc1C ZINC000052448583 521613138 /nfs/dbraw/zinc/61/31/38/521613138.db2.gz NBFVHQIJHCWKTD-UHFFFAOYSA-N 2 0 266.429 3.566 10 0 CHAERP CC(C)[NH2+]Cc1ccc(C[N@H+](C)[C@@H](C)C(C)(C)C)o1 ZINC000052504370 519726529 /nfs/dbraw/zinc/72/65/29/519726529.db2.gz XNCOEYYWAKNLRU-ZDUSSCGKSA-N 2 0 266.429 3.644 10 0 CHAERP CC(C)C[NH2+]CCCC[N@H+](C)[C@H](C)c1cccs1 ZINC000052506441 519743350 /nfs/dbraw/zinc/74/33/50/519743350.db2.gz BCUYJAWIXAOBKW-CQSZACIVSA-N 2 0 268.470 3.767 10 0 CHAERP CCC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)C2CCCCC2)C[C@@H]1C ZINC000052340336 520022926 /nfs/dbraw/zinc/02/29/26/520022926.db2.gz GXRANKNCRSTYHH-YQQAZPJKSA-N 2 0 266.473 3.665 10 0 CHAERP CC[NH2+]Cc1oc(C[N@H+](C)[C@@H](C)C(C)(C)C)cc1C ZINC000052504634 520028874 /nfs/dbraw/zinc/02/88/74/520028874.db2.gz BQXRXSNOMNVXJO-ZDUSSCGKSA-N 2 0 266.429 3.564 10 0 CHAERP CCC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1[NH+]1CCCCC1 ZINC000054554704 520096362 /nfs/dbraw/zinc/09/63/62/520096362.db2.gz GWPWZBZEZIOOBX-ULQDDVLXSA-N 2 0 266.473 3.665 10 0 CHAERP CCCCCC[C@@H](C)[NH+]1CCC([NH2+]CCC)CC1 ZINC000049216687 520114072 /nfs/dbraw/zinc/11/40/72/520114072.db2.gz OESNMGZEFPSZDZ-OAHLLOKOSA-N 2 0 254.462 3.809 10 0 CHAERP CCCCCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]CC)C2 ZINC000054628976 520127459 /nfs/dbraw/zinc/12/74/59/520127459.db2.gz SVHOPSPUAZHCMR-XYTVBORESA-N 2 0 266.473 3.950 10 0 CHAERP CC[NH+](CC)Cc1c(C[NH2+]C)sc2cccc(F)c21 ZINC000052378158 520741582 /nfs/dbraw/zinc/74/15/82/520741582.db2.gz ZLNGCTXNRVHQNO-UHFFFAOYSA-N 2 0 280.412 3.602 10 0 CHAERP C[N@H+](CCCCC[NH2+]C1CC1)Cc1ccc(Cl)cc1 ZINC000052346387 522731630 /nfs/dbraw/zinc/73/16/30/522731630.db2.gz COKOFRZYRZMIOV-UHFFFAOYSA-N 2 0 280.843 3.694 10 0 CHAERP CC[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)C1CCCCC1 ZINC000052338744 522840657 /nfs/dbraw/zinc/84/06/57/522840657.db2.gz WEQLYTXJCQBLJR-IAGOWNOFSA-N 2 0 266.473 3.809 10 0 CHAERP CC[C@H](C)C[N@H+](C)Cc1occc1C[NH2+]C(C)(C)C ZINC000052453967 523869564 /nfs/dbraw/zinc/86/95/64/523869564.db2.gz FYZGVPBIFHRRPY-ZDUSSCGKSA-N 2 0 266.429 3.646 10 0 CHAERP C[C@H]1CCC[N@H+](Cc2c3ccccc3sc2C[NH3+])C1 ZINC000052381430 524092053 /nfs/dbraw/zinc/09/20/53/524092053.db2.gz WWVAOMWIRQIRIH-LBPRGKRZSA-N 2 0 274.433 3.592 10 0 CHAERP C[C@@H](C[NH2+]C(C)(C)C)C[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000052546588 524734506 /nfs/dbraw/zinc/73/45/06/524734506.db2.gz DHCJNKHIAANMAP-SOUVJXGZSA-N 2 0 254.462 3.521 10 0 CHAERP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000130206192 525937068 /nfs/dbraw/zinc/93/70/68/525937068.db2.gz DLTXSKYDPJPSAN-GVDBMIGSSA-N 2 0 272.436 3.581 10 0 CHAERP CCC[NH+]1CCC([C@@H](C)[NH2+]CC2(C)CCCC2)CC1 ZINC000104446084 186004750 /nfs/dbraw/zinc/00/47/50/186004750.db2.gz MZHYBYBHYJMPGS-OAHLLOKOSA-N 2 0 266.473 3.667 10 0 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CHAERP CC[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000052419414 520006430 /nfs/dbraw/zinc/00/64/30/520006430.db2.gz JMMSAEZDIURIIQ-UHFFFAOYSA-N 2 0 260.425 3.561 10 0 CHAERP CCCC[N@H+](C[C@H](C)C[NH2+]C(C)(C)C)[C@@H](C)CC ZINC000052372616 520540771 /nfs/dbraw/zinc/54/07/71/520540771.db2.gz IJRZIPAHFUVZSD-CABCVRRESA-N 2 0 256.478 3.911 10 0 CHAERP CCC(CC)C[N@H+](CC)C[C@H](C)C[NH2+]C(C)(C)C ZINC000052540632 521519763 /nfs/dbraw/zinc/51/97/63/521519763.db2.gz KEGZHOFXCOQUFU-CQSZACIVSA-N 2 0 256.478 3.769 10 0 CHAERP C[NH2+]CCCCC[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000062019503 521991742 /nfs/dbraw/zinc/99/17/42/521991742.db2.gz DZDPFYONNOKEDK-ZDUSSCGKSA-N 2 0 268.832 3.723 10 0 CHAERP C[N@H+](Cc1cc(C[NH2+]C(C)(C)C)co1)CC(C)(C)C ZINC000052570144 523170772 /nfs/dbraw/zinc/17/07/72/523170772.db2.gz OFIQSACUUNSADZ-UHFFFAOYSA-N 2 0 266.429 3.646 10 0 CHAERP Cc1ccccc1C[N@@H+](C)[C@@H](C)CCC[NH2+]C(C)C ZINC000052547112 525129708 /nfs/dbraw/zinc/12/97/08/525129708.db2.gz IDVCNCUZAAUVJE-INIZCTEOSA-N 2 0 262.441 3.594 10 0 CHAERP C[C@H](C[NH2+]Cc1ccccc1C[NH+](C)C)c1ccccc1 ZINC000020128668 171015212 /nfs/dbraw/zinc/01/52/12/171015212.db2.gz FZMHDJXLDSLQKO-MRXNPFEDSA-N 2 0 282.431 3.642 10 0 CHAERP CCc1ccc(C[NH2+]Cc2ccccc2C[NH+](C)C)cc1 ZINC000020128560 171015397 /nfs/dbraw/zinc/01/53/97/171015397.db2.gz XLZKKFLPKOLRCP-UHFFFAOYSA-N 2 0 282.431 3.600 10 0 CHAERP CC1(C)CC([NH2+]CCCc2ccccc2)CC(C)(C)[NH2+]1 ZINC000020143457 171028904 /nfs/dbraw/zinc/02/89/04/171028904.db2.gz MDPZPHPKYNFQOV-UHFFFAOYSA-N 2 0 274.452 3.518 10 0 CHAERP CC[C@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccccc1 ZINC000038041818 174042838 /nfs/dbraw/zinc/04/28/38/174042838.db2.gz KGURAGARTCIECH-WMZOPIPTSA-N 2 0 274.452 3.849 10 0 CHAERP C[C@H](C[NH2+][C@@H](C)CCc1ccccc1)C[NH+]1CCCCC1 ZINC000038041746 174043507 /nfs/dbraw/zinc/04/35/07/174043507.db2.gz GEGZBMDGOPSAPU-MSOLQXFVSA-N 2 0 288.479 3.719 10 0 CHAERP C[N@H+](CCC[C@@H]([NH3+])c1ccccc1)Cc1ccsc1 ZINC000071401692 176153842 /nfs/dbraw/zinc/15/38/42/176153842.db2.gz GGNNJMMUOYTFBI-MRXNPFEDSA-N 2 0 274.433 3.660 10 0 CHAERP C[NH2+]CC1CC[NH+]([C@H](C)c2ccc(C(C)(C)C)cc2)CC1 ZINC000063158866 328040234 /nfs/dbraw/zinc/04/02/34/328040234.db2.gz BXYOMEUOMRHSPL-OAHLLOKOSA-N 2 0 288.479 3.977 10 0 CHAERP C[C@H]([NH2+][C@H](c1ccc(F)cc1)C(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000400726896 332719680 /nfs/dbraw/zinc/71/96/80/332719680.db2.gz PRFBHEAELHNUAW-DUVNUKRYSA-N 2 0 278.415 3.501 10 0 CHAERP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)C1 ZINC000250699486 334348620 /nfs/dbraw/zinc/34/86/20/334348620.db2.gz NMMNPHPFCPUCTR-BZUAXINKSA-N 2 0 266.473 3.523 10 0 CHAERP CC(C)C[NH2+]CCCC[N@H+](C)C1CCCCCC1 ZINC000052481972 519743244 /nfs/dbraw/zinc/74/32/44/519743244.db2.gz NOLGPBCTAJOXRD-UHFFFAOYSA-N 2 0 254.462 3.667 10 0 CHAERP CCC[NH2+]CCC[C@H](C)[NH+]1CCC(CCC)CC1 ZINC000052374011 519913401 /nfs/dbraw/zinc/91/34/01/519913401.db2.gz WPUCQXKBFKEYQB-HNNXBMFYSA-N 2 0 254.462 3.667 10 0 CHAERP CC(C)[N@H+](CCC[C@@H]1CCCC[NH2+]1)Cc1cccs1 ZINC000050953457 519644742 /nfs/dbraw/zinc/64/47/42/519644742.db2.gz IZAVYVZEEVKTTF-HNNXBMFYSA-N 2 0 280.481 3.881 10 0 CHAERP CC(C)[NH2+]CC[C@H](C)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000052346423 519722034 /nfs/dbraw/zinc/72/20/34/519722034.db2.gz LDBGTUXUTUPHJO-ZDUSSCGKSA-N 2 0 268.832 3.548 10 0 CHAERP CC(C)C[NH2+]CCCC[N@H+](C)C1CCC(C)CC1 ZINC000052345308 519743144 /nfs/dbraw/zinc/74/31/44/519743144.db2.gz JRDYHLXSFSVEAP-UHFFFAOYSA-N 2 0 254.462 3.523 10 0 CHAERP CCC1CCC([N@H+](C)CCC[C@@H]2CCCC[NH2+]2)CC1 ZINC000050953429 519853451 /nfs/dbraw/zinc/85/34/51/519853451.db2.gz PFBZSXKGPWPFSL-CGZBRXJRSA-N 2 0 266.473 3.809 10 0 CHAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C)s1 ZINC000054628465 519908507 /nfs/dbraw/zinc/90/85/07/519908507.db2.gz OACYJJQWPXAHGI-GOOCMWNKSA-N 2 0 278.465 3.552 10 0 CHAERP CC[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)C1CCCCC1 ZINC000052338737 522596523 /nfs/dbraw/zinc/59/65/23/522596523.db2.gz WEQLYTXJCQBLJR-IRXDYDNUSA-N 2 0 266.473 3.809 10 0 CHAERP C[C@H](CCC[NH2+]C(C)(C)C)[NH+]1CCCCCCC1 ZINC000052425035 524143376 /nfs/dbraw/zinc/14/33/76/524143376.db2.gz HVNNZRGPTAJAII-OAHLLOKOSA-N 2 0 254.462 3.809 10 0 CHAERP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC=C[C@@H]32)cc1 ZINC000035017950 171935266 /nfs/dbraw/zinc/93/52/66/171935266.db2.gz AVXXHHKKCQQCTO-CEXWTWQISA-N 2 0 284.447 3.583 10 0 CHAERP Cc1ccc([C@H](C)[NH2+]CC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1C ZINC000038018995 173994615 /nfs/dbraw/zinc/99/46/15/173994615.db2.gz OGMXRORLSCOCLE-WELJNPPOSA-N 2 0 286.463 3.827 10 0 CHAERP CC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCCCC1)c1ccc(O)cc1 ZINC000038041681 174043546 /nfs/dbraw/zinc/04/35/46/174043546.db2.gz PZCLTCQBNDFLJN-CRAIPNDOSA-N 2 0 290.451 3.555 10 0 CHAERP CC[NH2+]CC1CC[NH+](Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000053658889 328663942 /nfs/dbraw/zinc/66/39/42/328663942.db2.gz MNJZXBMWWVRWKT-UHFFFAOYSA-N 2 0 288.479 3.806 10 0 CHAERP CCC(C)(C)C1CCC([NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000400321011 331385083 /nfs/dbraw/zinc/38/50/83/331385083.db2.gz BDSJRUUJIMPJJW-QRNKSROTSA-N 2 0 266.473 3.569 10 0 CHAERP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccc21 ZINC000251989399 334372571 /nfs/dbraw/zinc/37/25/71/334372571.db2.gz ZERXMOYVNBOSDR-JEWRLFTDSA-N 2 0 284.447 3.841 10 0 CHAERP CCC[C@H]([NH2+]C[C@H]1CCCN1C)c1ccc(Cl)cc1 ZINC000222696825 333199126 /nfs/dbraw/zinc/19/91/26/333199126.db2.gz BPAKRAOZCVYJNE-CVEARBPZSA-N 2 0 280.843 3.865 10 0 CHAERP C[C@@H](c1ccccc1)[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000230003308 333312220 /nfs/dbraw/zinc/31/22/20/333312220.db2.gz OCHRXKDKDSHCKJ-INIZCTEOSA-N 2 0 268.404 3.599 10 0 CHAERP CC[C@@H]1CC[C@H]([NH2+]CCC[N@H+](C)C2CCCCC2)C1 ZINC000080459197 334171877 /nfs/dbraw/zinc/17/18/77/334171877.db2.gz PSCXLKQXHQADDZ-CVEARBPZSA-N 2 0 266.473 3.809 10 0 CHAERP CC(C)[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000382085358 336081447 /nfs/dbraw/zinc/08/14/47/336081447.db2.gz XEYVHZBVXNYHFH-GDAAHCPNSA-N 2 0 286.463 3.531 10 0 CHAERP CC(C)C[NH2+]C[C@H](C)C[N@H+](C)[C@@H](C)c1cccs1 ZINC000052506533 519745529 /nfs/dbraw/zinc/74/55/29/519745529.db2.gz HOVZQTZRJFZGDP-KBPBESRZSA-N 2 0 268.470 3.623 10 0 CHAERP CC(C)C[NH2+]CCC[C@@H](C)[N@H+](C)C1CCCCC1 ZINC000052419363 519743786 /nfs/dbraw/zinc/74/37/86/519743786.db2.gz NWESBAMLZXHHFI-OAHLLOKOSA-N 2 0 254.462 3.665 10 0 CHAERP CCC[NH+](CCC)Cc1ccc(C[NH2+]C(C)C)cc1 ZINC000052416842 521649122 /nfs/dbraw/zinc/64/91/22/521649122.db2.gz NOIJAOQKBPYBER-UHFFFAOYSA-N 2 0 262.441 3.807 10 0 CHAERP CCCC1CC[NH+]([C@H](C)CCC[NH2+]CC(C)C)CC1 ZINC000052374029 519903189 /nfs/dbraw/zinc/90/31/89/519903189.db2.gz CWJSSKWADIEREM-MRXNPFEDSA-N 2 0 268.489 3.913 10 0 CHAERP CCC[NH2+]CCC[C@H](C)[N@H+](C)C1CCC(C)CC1 ZINC000052345428 519913200 /nfs/dbraw/zinc/91/32/00/519913200.db2.gz SRLIZVKVXKOPJY-PCKAHOCUSA-N 2 0 254.462 3.665 10 0 CHAERP CC[NH2+]CCC[C@@H](C)[NH+]1CCC(C(C)(C)C)CC1 ZINC000052373643 519919879 /nfs/dbraw/zinc/91/98/79/519919879.db2.gz MWOQCOFKOSSIIC-CQSZACIVSA-N 2 0 254.462 3.523 10 0 CHAERP CCC[NH2+]Cc1ccoc1C[N@H+](C)[C@H](C)CC(C)C ZINC000052571835 519959949 /nfs/dbraw/zinc/95/99/49/519959949.db2.gz MRNAIHJWFHJWJG-CQSZACIVSA-N 2 0 266.429 3.646 10 0 CHAERP CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C[NH+]1CCCCCC1 ZINC000053861992 520096045 /nfs/dbraw/zinc/09/60/45/520096045.db2.gz KBGINAGJGUDRBQ-ZACQAIPSSA-N 2 0 266.473 3.667 10 0 CHAERP CCC[C@@H](C)[N@H+](C)Cc1cc(C[NH2+]C(C)(C)C)co1 ZINC000052480702 520645893 /nfs/dbraw/zinc/64/58/93/520645893.db2.gz OWRDBMNWFFUNNO-CYBMUJFWSA-N 2 0 266.429 3.788 10 0 CHAERP CC[NH+]1CCC([C@H](C)[NH2+][C@H](C)c2ccsc2)CC1 ZINC000061361164 521584566 /nfs/dbraw/zinc/58/45/66/521584566.db2.gz AHDGFWBQVCYXLO-QWHCGFSZSA-N 2 0 266.454 3.519 10 0 CHAERP CCC[N@H+](Cc1occc1C[NH2+]C(C)(C)C)C(C)C ZINC000052450262 521696743 /nfs/dbraw/zinc/69/67/43/521696743.db2.gz XOIZWFWLZHMTQR-UHFFFAOYSA-N 2 0 266.429 3.788 10 0 CHAERP CC[C@@H](C)[N@H+](CC)Cc1cc(C)c(C[NH2+]C(C)C)o1 ZINC000052451662 522085394 /nfs/dbraw/zinc/08/53/94/522085394.db2.gz LQAQMMWDZLIESA-CQSZACIVSA-N 2 0 266.429 3.706 10 0 CHAERP C[NH2+]Cc1ccccc1C[N@H+](C)[C@@H](C)c1cccs1 ZINC000052506980 522132913 /nfs/dbraw/zinc/13/29/13/522132913.db2.gz DGJODFVJDDYANF-ZDUSSCGKSA-N 2 0 274.433 3.661 10 0 CHAERP CC[C@H](C)[N@H+](CC)Cc1ccccc1C[NH2+]C(C)C ZINC000052451544 523935368 /nfs/dbraw/zinc/93/53/68/523935368.db2.gz WKBROIILRXGNCJ-HNNXBMFYSA-N 2 0 262.441 3.805 10 0 CHAERP C[C@@H]([NH3+])C1CC[NH+]([C@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000104136504 185905274 /nfs/dbraw/zinc/90/52/74/185905274.db2.gz ROFAEBSSRHIGII-KBMXLJTQSA-N 2 0 266.473 3.651 10 0 CHAERP CCCC[C@@H](CC)C[NH+]1CCC([C@H](C)[NH2+]C)CC1 ZINC000104416069 185994403 /nfs/dbraw/zinc/99/44/03/185994403.db2.gz ULWGEPUSYGVTGS-LSDHHAIUSA-N 2 0 254.462 3.523 10 0 CHAERP CC(C)[C@H]1CC[C@H](C)C[C@@H]1[NH2+]CC(C)(C)C[NH+](C)C ZINC000021501427 171305598 /nfs/dbraw/zinc/30/55/98/171305598.db2.gz HUIKTDDMKMZFBL-XHSDSOJGSA-N 2 0 268.489 3.625 10 0 CHAERP CC(C)CC[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000022147062 171357183 /nfs/dbraw/zinc/35/71/83/171357183.db2.gz OJTWBNGSFQFDTN-UHFFFAOYSA-N 2 0 266.473 3.811 10 0 CHAERP CCC[NH+]1CCC([C@H](C)[NH2+][C@@H](C)CCC(C)C)CC1 ZINC000037220324 173037872 /nfs/dbraw/zinc/03/78/72/173037872.db2.gz BFHBLAIRTBKWTK-HOTGVXAUSA-N 2 0 268.489 3.911 10 0 CHAERP CC(C)CC[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000038041869 174044220 /nfs/dbraw/zinc/04/42/20/174044220.db2.gz WOWXUNSHIWGPQS-HOTGVXAUSA-N 2 0 254.462 3.523 10 0 CHAERP CCCCC[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000038041889 174044518 /nfs/dbraw/zinc/04/45/18/174044518.db2.gz LMHSYPKTBKGCGR-HOTGVXAUSA-N 2 0 254.462 3.667 10 0 CHAERP C[NH2+]CCC1CC[NH+](Cc2ccc(CC(C)C)cc2)CC1 ZINC000094901360 265272301 /nfs/dbraw/zinc/27/23/01/265272301.db2.gz ZLRTUPHOPUAUGV-UHFFFAOYSA-N 2 0 288.479 3.707 10 0 CHAERP C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000049856223 328380366 /nfs/dbraw/zinc/38/03/66/328380366.db2.gz LGLQMRLJQQDCEN-XJKSGUPXSA-N 2 0 280.843 3.865 10 0 CHAERP CCc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000049856241 328380398 /nfs/dbraw/zinc/38/03/98/328380398.db2.gz LQWZTHQSZSBDBZ-YJBOKZPZSA-N 2 0 274.452 3.774 10 0 CHAERP c1ccc2c(c1)CCC[C@@H]2[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000066533225 329849410 /nfs/dbraw/zinc/84/94/10/329849410.db2.gz MSIUQSIQTYAPGP-IBGZPJMESA-N 2 0 284.447 3.624 10 0 CHAERP C[C@H](C[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1)C[NH+]1CCCC1 ZINC000057994360 330380334 /nfs/dbraw/zinc/38/03/34/330380334.db2.gz APROOFNKCOEAMI-ARFHVFGLSA-N 2 0 266.473 3.523 10 0 CHAERP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccc21 ZINC000251989395 334372709 /nfs/dbraw/zinc/37/27/09/334372709.db2.gz ZERXMOYVNBOSDR-DRMAHVMPSA-N 2 0 284.447 3.841 10 0 CHAERP CC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000309783439 333049456 /nfs/dbraw/zinc/04/94/56/333049456.db2.gz LTSXXLRKRVSHOG-QRQLOZEOSA-N 2 0 288.479 3.921 10 0 CHAERP C[NH2+]C[C@H]1CCC[N@H+](CC2CCC(C(C)(C)C)CC2)C1 ZINC000135294344 334123947 /nfs/dbraw/zinc/12/39/47/334123947.db2.gz XJZAMMWIYDOBPS-AQFXKWCLSA-N 2 0 280.500 3.770 10 0 CHAERP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252673837 334384942 /nfs/dbraw/zinc/38/49/42/334384942.db2.gz MSXQQNWEAYGVIE-DISONHOPSA-N 2 0 278.484 3.664 10 0 CHAERP CC(C)(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)s1 ZINC000252842702 334396441 /nfs/dbraw/zinc/39/64/41/334396441.db2.gz CSPNJQHDAOWLED-AEGPPILISA-N 2 0 292.492 3.605 10 0 CHAERP CC(C)C[NH2+]CCC[C@H](C)[N@H+](CC(C)C)C1CC1 ZINC000052515846 519743623 /nfs/dbraw/zinc/74/36/23/519743623.db2.gz HIVITMBAODFYLL-HNNXBMFYSA-N 2 0 254.462 3.521 10 0 CHAERP CC[NH2+]Cc1cc(C[N@H+](C)[C@H](C)C(C)(C)C)c(C)o1 ZINC000052504580 519986500 /nfs/dbraw/zinc/98/65/00/519986500.db2.gz QOEARGOVBGLBNW-CYBMUJFWSA-N 2 0 266.429 3.564 10 0 CHAERP CCCC[N@H+](CC)Cc1occc1C[NH2+]CC(C)C ZINC000052418725 520477972 /nfs/dbraw/zinc/47/79/72/520477972.db2.gz LXHGMAFTFHLCIF-UHFFFAOYSA-N 2 0 266.429 3.647 10 0 CHAERP CCC[C@H](C)[N@H+](C)Cc1cc(C[NH2+]C(C)(C)C)co1 ZINC000052480703 521035518 /nfs/dbraw/zinc/03/55/18/521035518.db2.gz OWRDBMNWFFUNNO-ZDUSSCGKSA-N 2 0 266.429 3.788 10 0 CHAERP CC(C)C[NH2+]CCCCC[N@H+](C)[C@@H](C)C(C)(C)C ZINC000052504531 519743359 /nfs/dbraw/zinc/74/33/59/519743359.db2.gz YPURPNOESJTFKE-HNNXBMFYSA-N 2 0 256.478 3.769 10 0 CHAERP CC(C)c1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])cc1 ZINC000111380487 519835835 /nfs/dbraw/zinc/83/58/35/519835835.db2.gz KRRMNXPMLLDGBW-QGZVFWFLSA-N 2 0 260.425 3.513 10 0 CHAERP CCC[NH2+]CCC[C@@H](C)[N@H+](C)C1CCC(C)CC1 ZINC000052345427 519913477 /nfs/dbraw/zinc/91/34/77/519913477.db2.gz SRLIZVKVXKOPJY-HWOWSKLDSA-N 2 0 254.462 3.665 10 0 CHAERP CC[NH2+]Cc1cccc(C[N@H+](CC(C)C)C(C)C)c1 ZINC000052572542 520003181 /nfs/dbraw/zinc/00/31/81/520003181.db2.gz WQKUEOSBKCIOJM-UHFFFAOYSA-N 2 0 262.441 3.663 10 0 CHAERP CC[N@H+](CCCCC[NH2+]CC(C)C)Cc1cccs1 ZINC000052546412 521002387 /nfs/dbraw/zinc/00/23/87/521002387.db2.gz ZVCQCPTZVCMVQN-UHFFFAOYSA-N 2 0 282.497 3.986 10 0 CHAERP CC[N@H+](CCCC[NH2+]C(C)(C)C)Cc1ccccc1 ZINC000052443693 521004659 /nfs/dbraw/zinc/00/46/59/521004659.db2.gz QKHNQQFHKKQFJB-UHFFFAOYSA-N 2 0 262.441 3.677 10 0 CHAERP CC[N@H+](Cc1ccccc1)[C@@H](C)CCC[NH2+]C(C)C ZINC000052443791 521373524 /nfs/dbraw/zinc/37/35/24/521373524.db2.gz PZXWSAAHXOXCMI-INIZCTEOSA-N 2 0 262.441 3.675 10 0 CHAERP CC[NH+](CC)CCc1nc(C(C)C)c(C[NH2+]C(C)C)s1 ZINC000082434506 178011675 /nfs/dbraw/zinc/01/16/75/178011675.db2.gz PWNGHGHKDVMULX-UHFFFAOYSA-N 2 0 297.512 3.649 10 0 CHAERP C[C@@H]([NH2+]Cc1ccccc1C[NH+](C)C)c1ccc(F)cc1 ZINC000020128623 171015741 /nfs/dbraw/zinc/01/57/41/171015741.db2.gz VTRUHHMZIARRJH-CQSZACIVSA-N 2 0 286.394 3.738 10 0 CHAERP CC[C@@H](C)C[C@@](CC)(C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000020556326 171249812 /nfs/dbraw/zinc/24/98/12/171249812.db2.gz GRJNOFZDHXXMNA-WBVHZDCISA-N 2 0 262.441 3.662 10 0 CHAERP CC[C@@H](C)C[C@](CC)(C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000020556329 171249859 /nfs/dbraw/zinc/24/98/59/171249859.db2.gz GRJNOFZDHXXMNA-NVXWUHKLSA-N 2 0 262.441 3.662 10 0 CHAERP CCC(CC)[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000020556696 171250347 /nfs/dbraw/zinc/25/03/47/171250347.db2.gz XYTMUZPTJQSSDH-UHFFFAOYSA-N 2 0 266.473 3.953 10 0 CHAERP CCCCC[NH2+]Cc1ccc(C[NH+](CC)CC)cc1 ZINC000020559116 171251044 /nfs/dbraw/zinc/25/10/44/171251044.db2.gz POCIVDKZWXQNRN-UHFFFAOYSA-N 2 0 262.441 3.808 10 0 CHAERP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC(C)(C)C[NH+](C)C ZINC000021501425 171305576 /nfs/dbraw/zinc/30/55/76/171305576.db2.gz HUIKTDDMKMZFBL-OAGGEKHMSA-N 2 0 268.489 3.625 10 0 CHAERP CCCCC[C@H](C)[NH2+][C@H](C)C1CC[NH+](CC)CC1 ZINC000036792087 172710991 /nfs/dbraw/zinc/71/09/91/172710991.db2.gz YWSVIAUWUUFBOZ-LSDHHAIUSA-N 2 0 254.462 3.665 10 0 CHAERP CC[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)C1CC[NH+](CC)CC1 ZINC000037031427 172899418 /nfs/dbraw/zinc/89/94/18/172899418.db2.gz IRRSEUALPWVQOB-ZOBUZTSGSA-N 2 0 266.473 3.665 10 0 CHAERP CCC[NH+]1CCC([C@@H](C)[NH2+]C2CCCCCC2)CC1 ZINC000037220257 173038420 /nfs/dbraw/zinc/03/84/20/173038420.db2.gz AJSJYOPKVHJIEI-OAHLLOKOSA-N 2 0 266.473 3.809 10 0 CHAERP CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+][C@@H](C)CCCC(C)C)C1 ZINC000037221138 173040261 /nfs/dbraw/zinc/04/02/61/173040261.db2.gz CNCHTYCGIPRQBT-GVDBMIGSSA-N 2 0 268.489 3.911 10 0 CHAERP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cccc2ccccc21 ZINC000128458274 260375380 /nfs/dbraw/zinc/37/53/80/260375380.db2.gz ZZGQXSLMUDPIQN-GOSISDBHSA-N 2 0 270.420 3.645 10 0 CHAERP CCc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000049856243 328380440 /nfs/dbraw/zinc/38/04/40/328380440.db2.gz LQWZTHQSZSBDBZ-CRAIPNDOSA-N 2 0 274.452 3.774 10 0 CHAERP Cc1ccccc1[C@@H](C)[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000049856251 328380179 /nfs/dbraw/zinc/38/01/79/328380179.db2.gz PPODYTVMVVTOTQ-HZPDHXFCSA-N 2 0 260.425 3.520 10 0 CHAERP CC(C)c1ccc([C@@H](C)[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261732241 327080519 /nfs/dbraw/zinc/08/05/19/327080519.db2.gz LFRLWFWYGVAEBZ-RHSMWYFYSA-N 2 0 274.452 3.930 10 0 CHAERP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000226330764 333257266 /nfs/dbraw/zinc/25/72/66/333257266.db2.gz TUFFKCDQAILSQG-XNRPHZJLSA-N 2 0 280.843 3.850 10 0 CHAERP CCN1CCC[C@H]([NH2+][C@H](C)c2ccc3ccccc3c2)C1 ZINC000250311353 333304290 /nfs/dbraw/zinc/30/42/90/333304290.db2.gz LXQNUTKYSKCHTN-BEFAXECRSA-N 2 0 282.431 3.975 10 0 CHAERP CC[C@@H]1CC[C@@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)C1 ZINC000080426616 334171208 /nfs/dbraw/zinc/17/12/08/334171208.db2.gz URIXOZXEBNSAFL-SJLPKXTDSA-N 2 0 274.452 3.677 10 0 CHAERP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000248062096 334294330 /nfs/dbraw/zinc/29/43/30/334294330.db2.gz LXLNUSWAXWSECQ-ZHCJQAHYSA-N 2 0 266.473 3.520 10 0 CHAERP CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000249385084 334333107 /nfs/dbraw/zinc/33/31/07/334333107.db2.gz YJHKOFHEFLRGLR-DJIMGWMZSA-N 2 0 278.484 3.665 10 0 CHAERP CC(C)(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000252876458 334398290 /nfs/dbraw/zinc/39/82/90/334398290.db2.gz WGRMGIZYUSHIOQ-SZMVWBNQSA-N 2 0 286.463 3.543 10 0 CHAERP CC(C)C[N@H+](C)Cc1c(C[NH3+])sc2cccc(F)c21 ZINC000052452630 519708941 /nfs/dbraw/zinc/70/89/41/519708941.db2.gz AIZYHVYJUMNJTF-UHFFFAOYSA-N 2 0 280.412 3.587 10 0 CHAERP CCC[NH2+]Cc1ccoc1C[N@H+](C)[C@H](C)C(C)(C)C ZINC000052504333 519959112 /nfs/dbraw/zinc/95/91/12/519959112.db2.gz DXFBUUSSYSVPSP-CYBMUJFWSA-N 2 0 266.429 3.646 10 0 CHAERP CCC[NH2+]Cc1occc1C[N@H+](C)[C@@H](C)CC(C)C ZINC000052571888 519973935 /nfs/dbraw/zinc/97/39/35/519973935.db2.gz BUCGUPBOHMQNMC-AWEZNQCLSA-N 2 0 266.429 3.646 10 0 CHAERP CCCC[N@H+](CC)Cc1ccc(C[NH2+]CCC)cc1 ZINC000052418827 520478022 /nfs/dbraw/zinc/47/80/22/520478022.db2.gz VRSTWFLKHNUVHD-UHFFFAOYSA-N 2 0 262.441 3.808 10 0 CHAERP CCC[NH+](CCC)Cc1cc(C[NH2+]CC(C)C)co1 ZINC000052416815 521649141 /nfs/dbraw/zinc/64/91/41/521649141.db2.gz HNGBXIBMHMNPDN-UHFFFAOYSA-N 2 0 266.429 3.647 10 0 CHAERP CC[C@@H](C)C[N@H+](C)Cc1ccc(C[NH2+]C(C)C)cc1 ZINC000052454339 521972658 /nfs/dbraw/zinc/97/26/58/521972658.db2.gz FJZGOQWTFLVFKO-OAHLLOKOSA-N 2 0 262.441 3.663 10 0 CHAERP CC(C)(C)[NH2+]CCCCC[N@@H+]1CCc2sccc2C1 ZINC000052416579 518755502 /nfs/dbraw/zinc/75/55/02/518755502.db2.gz CKDUFWIHPQDENA-UHFFFAOYSA-N 2 0 280.481 3.665 10 0 CHAERP CC(C)C[NH2+]CCC[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000062019384 519743518 /nfs/dbraw/zinc/74/35/18/519743518.db2.gz SNXAOTNAQVXWFN-AWEZNQCLSA-N 2 0 282.859 3.969 10 0 CHAERP CC(C)C[NH2+]Cc1ccccc1C[N@H+](C)CC(C)C ZINC000052452923 519747741 /nfs/dbraw/zinc/74/77/41/519747741.db2.gz GZWNOECIQLGTME-UHFFFAOYSA-N 2 0 262.441 3.520 10 0 CHAERP CC(C)[C@@H](C)[N@H+](C)Cc1c2ccccc2sc1C[NH3+] ZINC000052478537 519791147 /nfs/dbraw/zinc/79/11/47/519791147.db2.gz LXNQGQNQIZHCHS-GFCCVEGCSA-N 2 0 276.449 3.836 10 0 CHAERP CCCC1CCC([NH2+]CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000052206051 519898545 /nfs/dbraw/zinc/89/85/45/519898545.db2.gz BNXUTHAWSUKDEX-OFLPRAFFSA-N 2 0 266.473 3.809 10 0 CHAERP CC[NH2+]Cc1cc(C[N@H+](C)[C@@H](C)C(C)(C)C)oc1C ZINC000052504347 519988184 /nfs/dbraw/zinc/98/81/84/519988184.db2.gz OYDSJCMJUGXMLG-ZDUSSCGKSA-N 2 0 266.429 3.564 10 0 CHAERP CC[NH2+]Cc1oc(C[N@H+](C)[C@@H](C)CC(C)C)cc1C ZINC000052572173 520027556 /nfs/dbraw/zinc/02/75/56/520027556.db2.gz XSPKMLSDRUCKOT-AWEZNQCLSA-N 2 0 266.429 3.564 10 0 CHAERP CCC[N@H+](Cc1cc(C[NH2+]C(C)C)oc1C)C(C)C ZINC000052450608 521681025 /nfs/dbraw/zinc/68/10/25/521681025.db2.gz DZLBUIUPKCEYQB-UHFFFAOYSA-N 2 0 266.429 3.706 10 0 CHAERP Cc1cccc(C[N@@H+](C)[C@@H](C)CC[NH2+]C(C)(C)C)c1 ZINC000052346074 524378429 /nfs/dbraw/zinc/37/84/29/524378429.db2.gz VUWUIGCHZGGZJI-HNNXBMFYSA-N 2 0 262.441 3.594 10 0 CHAERP [NH3+]CCCCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000029047176 567916998 /nfs/dbraw/zinc/91/69/98/567916998.db2.gz KBHOEIHLPXNPQK-UHFFFAOYSA-N 2 0 283.419 3.655 10 0 CHAERP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C[N@H+](C)[C@@H](C)CC(C)C ZINC000104010129 185881221 /nfs/dbraw/zinc/88/12/21/185881221.db2.gz JKDXPSSBXURXBT-YYIAUSFCSA-N 2 0 268.489 3.767 10 0 CHAERP C[C@@H]1CCCC[C@@H]1[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000021812232 171329804 /nfs/dbraw/zinc/32/98/04/171329804.db2.gz ZETGRTJIZYRIIM-AEFFLSMTSA-N 2 0 274.452 3.677 10 0 CHAERP Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000038041750 174043596 /nfs/dbraw/zinc/04/35/96/174043596.db2.gz RADDHTBCYBGGPR-IAGOWNOFSA-N 2 0 274.452 3.768 10 0 CHAERP CCCCC[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000038041886 174044348 /nfs/dbraw/zinc/04/43/48/174044348.db2.gz LMHSYPKTBKGCGR-HZPDHXFCSA-N 2 0 254.462 3.667 10 0 CHAERP CCC[NH2+]C1CC[NH+]([C@H](C)CCCC(C)C)CC1 ZINC000042590288 174811340 /nfs/dbraw/zinc/81/13/40/174811340.db2.gz PMIOKRKYDDFCCH-OAHLLOKOSA-N 2 0 254.462 3.665 10 0 CHAERP c1ccc2c(c1)sc(C[NH2+]C1CC1)c2C[NH+]1CCCC1 ZINC000045206375 175328501 /nfs/dbraw/zinc/32/85/01/175328501.db2.gz AZGGQPKIAHGGTA-UHFFFAOYSA-N 2 0 286.444 3.749 10 0 CHAERP CC(C)CC[N@H+](CCC1CC[NH2+]CC1)C1CCCC1 ZINC000094849352 265264039 /nfs/dbraw/zinc/26/40/39/265264039.db2.gz WXKPBRYXGYLSKL-UHFFFAOYSA-N 2 0 266.473 3.667 10 0 CHAERP CC(C)c1ccc([C@H](C)[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261732244 327080502 /nfs/dbraw/zinc/08/05/02/327080502.db2.gz LFRLWFWYGVAEBZ-YOEHRIQHSA-N 2 0 274.452 3.930 10 0 CHAERP Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000180127857 329211751 /nfs/dbraw/zinc/21/17/51/329211751.db2.gz ZEODJJMRZGKTFW-JLJPHGGASA-N 2 0 299.418 3.573 10 0 CHAERP C[C@H]([NH3+])[C@H]1CCCCN1Cc1ccc(C(C)(C)C)s1 ZINC000166170974 331306650 /nfs/dbraw/zinc/30/66/50/331306650.db2.gz JEDUNKGCLDNJQC-GXTWGEPZSA-N 2 0 280.481 3.747 10 0 CHAERP C[C@]1(C[NH+](Cc2ccccc2)Cc2ccccc2)CC[NH2+]C1 ZINC000307160754 333012878 /nfs/dbraw/zinc/01/28/78/333012878.db2.gz DWVPNSMAHNRPHM-FQEVSTJZSA-N 2 0 294.442 3.688 10 0 CHAERP CC1(C)CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000381894807 336076168 /nfs/dbraw/zinc/07/61/68/336076168.db2.gz FTETWKFSRSQAJN-MKXGPGLRSA-N 2 0 298.474 3.675 10 0 CHAERP CC1(C)CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000381894220 336076189 /nfs/dbraw/zinc/07/61/89/336076189.db2.gz FTETWKFSRSQAJN-HCXYKTFWSA-N 2 0 298.474 3.675 10 0 CHAERP CC(C)[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000382085362 336081471 /nfs/dbraw/zinc/08/14/71/336081471.db2.gz XEYVHZBVXNYHFH-JCHJZTRSSA-N 2 0 286.463 3.531 10 0 CHAERP CC(C)[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000382085364 336081513 /nfs/dbraw/zinc/08/15/13/336081513.db2.gz XEYVHZBVXNYHFH-WZGPROSRSA-N 2 0 286.463 3.531 10 0 CHAERP CC(C)CC[N@H+](C)Cc1cccc(C[NH2+]C(C)C)c1 ZINC000052545816 519650498 /nfs/dbraw/zinc/65/04/98/519650498.db2.gz IAPDOFYXOBTLAT-UHFFFAOYSA-N 2 0 262.441 3.663 10 0 CHAERP CCCCC[N@H+](C)Cc1ccoc1C[NH2+]C(C)(C)C ZINC000052454962 520151078 /nfs/dbraw/zinc/15/10/78/520151078.db2.gz SHPBQWQOONCGQT-UHFFFAOYSA-N 2 0 266.429 3.790 10 0 CHAERP CC(C)(C)CC(C)(C)[NH2+]CCC[C@@H]1CCCC[NH2+]1 ZINC000050953939 518629974 /nfs/dbraw/zinc/62/99/74/518629974.db2.gz IPFROFZAPDIXFX-AWEZNQCLSA-N 2 0 254.462 3.713 10 0 CHAERP CC(C)[NH2+]Cc1ccc(C[N@H+](C)C2CCCC2)cc1 ZINC000052444938 519726787 /nfs/dbraw/zinc/72/67/87/519726787.db2.gz VJXFSYSBBSMOMV-UHFFFAOYSA-N 2 0 260.425 3.559 10 0 CHAERP CCC[NH2+]Cc1cc(C[N@H+](C)[C@@H](C)C(C)C)c(C)o1 ZINC000052478641 519946305 /nfs/dbraw/zinc/94/63/05/519946305.db2.gz RMHYHUPSBDDAKF-ZDUSSCGKSA-N 2 0 266.429 3.564 10 0 CHAERP CCC(CC)(C[NH2+]C)C[N@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000051251822 521440903 /nfs/dbraw/zinc/44/09/03/521440903.db2.gz XIIUXXQMCNTBKC-LSDHHAIUSA-N 2 0 254.462 3.523 10 0 CHAERP CCC[N@H+](Cc1ccc(C[NH2+]C(C)(C)C)o1)C(C)C ZINC000052450296 521683897 /nfs/dbraw/zinc/68/38/97/521683897.db2.gz NLVIMUCOTRITTP-UHFFFAOYSA-N 2 0 266.429 3.788 10 0 CHAERP CC[C@@H](C)[N@H+](CC)Cc1ccccc1C[NH2+]C(C)C ZINC000052451541 522084234 /nfs/dbraw/zinc/08/42/34/522084234.db2.gz WKBROIILRXGNCJ-OAHLLOKOSA-N 2 0 262.441 3.805 10 0 CHAERP CC[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1cccs1 ZINC000049529340 522689212 /nfs/dbraw/zinc/68/92/12/522689212.db2.gz SAADMMIPPKJXLQ-JSGCOSHPSA-N 2 0 266.454 3.519 10 0 CHAERP C[C@H](C[NH2+]C(C)(C)C)C[NH+]1CCC(C(C)(C)C)CC1 ZINC000052373589 524476117 /nfs/dbraw/zinc/47/61/17/524476117.db2.gz XREMGRGJBGYMKO-CQSZACIVSA-N 2 0 268.489 3.769 10 0 CHAERP Cc1cc(C)c(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)c(C)c1 ZINC000021789478 171323522 /nfs/dbraw/zinc/32/35/22/171323522.db2.gz CPYRSYHHKDCSEE-GOSISDBHSA-N 2 0 288.479 3.966 10 0 CHAERP C[C@@H]1CCCC[C@H]1[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000021812234 171329549 /nfs/dbraw/zinc/32/95/49/171329549.db2.gz ZETGRTJIZYRIIM-SJLPKXTDSA-N 2 0 274.452 3.677 10 0 CHAERP C[C@@H]1CCC[C@H](C)C1[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000021818484 171333544 /nfs/dbraw/zinc/33/35/44/171333544.db2.gz OWNYPJGEJVWEOT-TVXGVJEUSA-N 2 0 266.473 3.665 10 0 CHAERP CCC[NH+]1CCC([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C)CC1 ZINC000037210025 173031921 /nfs/dbraw/zinc/03/19/21/173031921.db2.gz OQVOCGBXOHMFKO-ZOBUZTSGSA-N 2 0 266.473 3.665 10 0 CHAERP Cc1cc(NC[C@H](C)[NH+]2CCCCC2)c2ccccc2[nH+]1 ZINC000038029283 174019271 /nfs/dbraw/zinc/01/92/71/174019271.db2.gz CIRAVBDQCKQMGC-HNNXBMFYSA-N 2 0 283.419 3.830 10 0 CHAERP Cc1cc(NCC[NH+](C)C)c2ccc(C(F)(F)F)cc2[nH+]1 ZINC000040570947 174338454 /nfs/dbraw/zinc/33/84/54/174338454.db2.gz IMPBXELPQWYOOX-UHFFFAOYSA-N 2 0 297.324 3.536 10 0 CHAERP CC1CCC(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000089575634 260188735 /nfs/dbraw/zinc/18/87/35/260188735.db2.gz VBHJUSDVRJKZHO-UHFFFAOYSA-N 2 0 266.473 3.712 10 0 CHAERP C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000180128139 329211992 /nfs/dbraw/zinc/21/19/92/329211992.db2.gz HBALWEOEQAALMB-NRMGUKERSA-N 2 0 295.430 3.759 10 0 CHAERP Cc1ccc(N2CCC([NH2+][C@H](C)CCC3CC3)CC2)nc1 ZINC000186355752 329343607 /nfs/dbraw/zinc/34/36/07/329343607.db2.gz VLYQOUXNXBBICA-OAHLLOKOSA-N 2 0 287.451 3.527 10 0 CHAERP C[NH+](C)CCCC[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000045662974 330347607 /nfs/dbraw/zinc/34/76/07/330347607.db2.gz RZTMEUSWEJROBN-CABCVRRESA-N 2 0 254.462 3.523 10 0 CHAERP CCCCC[N@H+](C)Cc1ccc(C[NH2+]C(C)C)cc1 ZINC000052454898 520153200 /nfs/dbraw/zinc/15/32/00/520153200.db2.gz XSMUSYHXSYARCN-UHFFFAOYSA-N 2 0 262.441 3.807 10 0 CHAERP CCC[N@H+](Cc1ccoc1C[NH2+]C(C)(C)C)C1CC1 ZINC000052449293 521691370 /nfs/dbraw/zinc/69/13/70/521691370.db2.gz ZHFHYOSEWAFODC-UHFFFAOYSA-N 2 0 264.413 3.542 10 0 CHAERP C(C[C@@H]1CCC[NH2+]1)C[NH+]1CCC2(CCCCC2)CC1 ZINC000061820103 518396420 /nfs/dbraw/zinc/39/64/20/518396420.db2.gz CMBMRIPJOTVYAH-INIZCTEOSA-N 2 0 264.457 3.565 10 0 CHAERP CCCC1CC[NH+]([C@@H]2C[C@H](CC)CC[C@@H]2C[NH3+])CC1 ZINC000050893145 519903135 /nfs/dbraw/zinc/90/31/35/519903135.db2.gz RPNCYEPEBGWPLD-DJIMGWMZSA-N 2 0 266.473 3.652 10 0 CHAERP CCC(CC)C[N@H+](CC)[C@@H](C)CC[NH2+]C(C)(C)C ZINC000052540759 521523770 /nfs/dbraw/zinc/52/37/70/521523770.db2.gz RQZAPRALYLFZLL-AWEZNQCLSA-N 2 0 256.478 3.911 10 0 CHAERP CCC(CC)[N@H+](C)Cc1cc(C[NH2+]C(C)C)c(C)o1 ZINC000052478044 521541886 /nfs/dbraw/zinc/54/18/86/521541886.db2.gz FXNXOYDPUFESEX-UHFFFAOYSA-N 2 0 266.429 3.706 10 0 CHAERP CC[NH+]1CCC([C@@H](C)[NH2+]CC2CCC(C)CC2)CC1 ZINC000063144606 521583443 /nfs/dbraw/zinc/58/34/43/521583443.db2.gz QKGGVYOHQLATQI-HWOWSKLDSA-N 2 0 266.473 3.523 10 0 CHAERP CCC[NH+](CCC)Cc1cc(C)c(C[NH2+]C(C)C)o1 ZINC000052416917 521649077 /nfs/dbraw/zinc/64/90/77/521649077.db2.gz SQCOGWWJYRQUBW-UHFFFAOYSA-N 2 0 266.429 3.708 10 0 CHAERP CC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)C2CCCCC2)C1 ZINC000052333094 521650648 /nfs/dbraw/zinc/65/06/48/521650648.db2.gz WDWJETFICSURHE-UXLLHSPISA-N 2 0 266.473 3.665 10 0 CHAERP CC[C@@H](C)C[N@H+](C)Cc1occc1C[NH2+]C(C)(C)C ZINC000052453966 521971083 /nfs/dbraw/zinc/97/10/83/521971083.db2.gz FYZGVPBIFHRRPY-CYBMUJFWSA-N 2 0 266.429 3.646 10 0 CHAERP CC[C@@H](C1CCCCC1)[N@H+]1CC[C@@H](C)[NH2+][C@@H](C)CC1 ZINC000052342493 522464133 /nfs/dbraw/zinc/46/41/33/522464133.db2.gz BWNWRNAXCOWPNM-UXLLHSPISA-N 2 0 266.473 3.808 10 0 CHAERP CC[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)C1CCCCC1 ZINC000052338741 522600247 /nfs/dbraw/zinc/60/02/47/522600247.db2.gz WEQLYTXJCQBLJR-SJORKVTESA-N 2 0 266.473 3.809 10 0 CHAERP CC[C@H](C)[N@H+](C)Cc1cc(C[NH2+]C(C)(C)C)oc1C ZINC000052444295 523922259 /nfs/dbraw/zinc/92/22/59/523922259.db2.gz YEPFAGRYMFOTTD-LBPRGKRZSA-N 2 0 266.429 3.706 10 0 CHAERP Cc1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C(C)C)C3)C2)c1 ZINC000014972497 567870007 /nfs/dbraw/zinc/87/00/07/567870007.db2.gz DIHMIDVSQZTGEW-LJQANCHMSA-N 2 0 286.463 3.691 10 0 CHAERP CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1C[NH+](CCC)CCC ZINC000103997343 185878039 /nfs/dbraw/zinc/87/80/39/185878039.db2.gz VBZXEKJIDWYDRZ-BBWFWOEESA-N 2 0 268.489 3.913 10 0 CHAERP C[C@H]1CC(C)(C)C[C@](C[NH3+])([N@@H+]2CCc3ccccc3C2)C1 ZINC000020552831 171248222 /nfs/dbraw/zinc/24/82/22/171248222.db2.gz LNLOQXIKTZDOKA-HNAYVOBHSA-N 2 0 286.463 3.588 10 0 CHAERP C[C@H](CCc1ccccc1)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000021010331 171286889 /nfs/dbraw/zinc/28/68/89/171286889.db2.gz LRQCXDVTYHKZGG-MSOLQXFVSA-N 2 0 288.479 3.862 10 0 CHAERP CC1CC[NH+](CCC[NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000021047897 171294571 /nfs/dbraw/zinc/29/45/71/171294571.db2.gz XFGJVNOJFUFHTE-SJORKVTESA-N 2 0 280.500 3.913 10 0 CHAERP CC[NH+](CC)CCC[NH2+]C(CC(C)C)CC(C)C ZINC000021515955 171312443 /nfs/dbraw/zinc/31/24/43/171312443.db2.gz WIPWZWKHOSEFAO-UHFFFAOYSA-N 2 0 256.478 3.769 10 0 CHAERP Cc1cc(C)c(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c(C)c1 ZINC000021789482 171323165 /nfs/dbraw/zinc/32/31/65/171323165.db2.gz CPYRSYHHKDCSEE-SFHVURJKSA-N 2 0 288.479 3.966 10 0 CHAERP C[C@@H](C[NH2+][C@@H]1CCCc2ccccc21)C[NH+]1CCCCC1 ZINC000038041874 174044764 /nfs/dbraw/zinc/04/47/64/174044764.db2.gz XJFMPAJCQUBECA-QFBILLFUSA-N 2 0 286.463 3.776 10 0 CHAERP C[C@@H]1CCC[N@H+](CCC[C@H]([NH3+])c2ccccc2)[C@@H]1C ZINC000071402043 176153748 /nfs/dbraw/zinc/15/37/48/176153748.db2.gz HSLHQVNYJIRDOZ-INMHGKMJSA-N 2 0 260.425 3.587 10 0 CHAERP CC[C@H]([NH2+][C@H]1CCCN(CC)C1)c1ccc(C)cc1 ZINC000040502305 260285392 /nfs/dbraw/zinc/28/53/92/260285392.db2.gz KHZQKSKFJFZCCF-IRXDYDNUSA-N 2 0 260.425 3.520 10 0 CHAERP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccc2ccccc2c1 ZINC000128488261 260374847 /nfs/dbraw/zinc/37/48/47/260374847.db2.gz AYYPCQBEENVURK-SFHVURJKSA-N 2 0 270.420 3.645 10 0 CHAERP CC(C)(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)s1 ZINC000228533769 262340647 /nfs/dbraw/zinc/34/06/47/262340647.db2.gz CSPNJQHDAOWLED-NWANDNLSSA-N 2 0 292.492 3.605 10 0 CHAERP Cc1ccccc1[C@H](C)[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000049856248 328380269 /nfs/dbraw/zinc/38/02/69/328380269.db2.gz PPODYTVMVVTOTQ-HOTGVXAUSA-N 2 0 260.425 3.520 10 0 CHAERP C[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000049856219 328380433 /nfs/dbraw/zinc/38/04/33/328380433.db2.gz LGLQMRLJQQDCEN-BBRMVZONSA-N 2 0 280.843 3.865 10 0 CHAERP C[NH+](C)CCCC[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000045662980 330347577 /nfs/dbraw/zinc/34/75/77/330347577.db2.gz RZTMEUSWEJROBN-LSDHHAIUSA-N 2 0 254.462 3.523 10 0 CHAERP CC(C)Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000400526402 332712576 /nfs/dbraw/zinc/71/25/76/332712576.db2.gz QDIFHZBLGPGUAG-RLFYNMQTSA-N 2 0 274.452 3.534 10 0 CHAERP CC[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000309783441 333049514 /nfs/dbraw/zinc/04/95/14/333049514.db2.gz LTSXXLRKRVSHOG-WDSOQIARSA-N 2 0 288.479 3.921 10 0 CHAERP CCC[C@@H]([NH2+]C[C@@H]1CCCN1C)c1ccc(Cl)cc1 ZINC000222696639 333199080 /nfs/dbraw/zinc/19/90/80/333199080.db2.gz BPAKRAOZCVYJNE-JKSUJKDBSA-N 2 0 280.843 3.865 10 0 CHAERP CC[NH2+]CC1CC[NH+](Cc2ccc(CC(C)C)cc2)CC1 ZINC000129890085 333797759 /nfs/dbraw/zinc/79/77/59/333797759.db2.gz JQSVJNKATPMLMZ-UHFFFAOYSA-N 2 0 288.479 3.707 10 0 CHAERP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000248062092 334294490 /nfs/dbraw/zinc/29/44/90/334294490.db2.gz LXLNUSWAXWSECQ-NQNKBUKLSA-N 2 0 266.473 3.520 10 0 CHAERP CC(C)C[NH2+]C[C@@H]1CC[N@@H+](C2CCCCCCC2)C1 ZINC000053011161 519745067 /nfs/dbraw/zinc/74/50/67/519745067.db2.gz UODFFQUAAQECSG-INIZCTEOSA-N 2 0 266.473 3.667 10 0 CHAERP CC[NH2+]CCC[C@H](C)[NH+]1CCC(C(C)(C)C)CC1 ZINC000052373644 519920374 /nfs/dbraw/zinc/92/03/74/519920374.db2.gz MWOQCOFKOSSIIC-AWEZNQCLSA-N 2 0 254.462 3.523 10 0 CHAERP CC[NH2+]Cc1occc1C[NH+](CC(C)C)CC(C)C ZINC000052484926 520031546 /nfs/dbraw/zinc/03/15/46/520031546.db2.gz HMHYEGGPVJQMNK-UHFFFAOYSA-N 2 0 266.429 3.503 10 0 CHAERP CCCC[N@H+](C)Cc1c2ccccc2sc1C[NH2+]C ZINC000052417863 520419684 /nfs/dbraw/zinc/41/96/84/520419684.db2.gz FVDWJFASWSAQNN-UHFFFAOYSA-N 2 0 276.449 3.853 10 0 CHAERP CCC[NH+](CCC)Cc1csc(C[NH2+]C(C)(C)C)n1 ZINC000052416674 521649404 /nfs/dbraw/zinc/64/94/04/521649404.db2.gz AZLDOVAWAGTDAZ-UHFFFAOYSA-N 2 0 283.485 3.653 10 0 CHAERP CC(C)(C)C1CC[NH+](CCC[C@H]2CCCC[NH2+]2)CC1 ZINC000050954305 518606946 /nfs/dbraw/zinc/60/69/46/518606946.db2.gz WJUJKGYEUZNGIW-MRXNPFEDSA-N 2 0 266.473 3.667 10 0 CHAERP CC(C)C[N@H+](Cc1ccoc1C[NH2+]C(C)C)C(C)C ZINC000052572579 519718632 /nfs/dbraw/zinc/71/86/32/519718632.db2.gz OHBKINPJWXGAHH-UHFFFAOYSA-N 2 0 266.429 3.644 10 0 CHAERP CC(C)[NH2+]CCCCC[N@@H+]1CCc2sccc2[C@H]1C ZINC000052505549 519720684 /nfs/dbraw/zinc/72/06/84/519720684.db2.gz XFVNPOQJGSDKRM-CQSZACIVSA-N 2 0 280.481 3.836 10 0 CHAERP CC(C)C[NH2+]Cc1occc1C[N@H+](C)[C@@H](C)C(C)C ZINC000052478663 519749103 /nfs/dbraw/zinc/74/91/03/519749103.db2.gz XQUUSZHWGXZGDL-AWEZNQCLSA-N 2 0 266.429 3.502 10 0 CHAERP CCC1CC[NH+](CCCCC[NH2+]CC(C)C)CC1 ZINC000052347049 519859149 /nfs/dbraw/zinc/85/91/49/519859149.db2.gz IYYJZUDDOFIZEO-UHFFFAOYSA-N 2 0 254.462 3.524 10 0 CHAERP CC[NH2+]Cc1cc(C[N@H+](C)[C@@H](C)CC(C)C)c(C)o1 ZINC000052572071 519987519 /nfs/dbraw/zinc/98/75/19/519987519.db2.gz PYENAYGPVQGEBN-ZDUSSCGKSA-N 2 0 266.429 3.564 10 0 CHAERP CC[N@H+](Cc1ccccc1C[NH2+]C(C)(C)C)C1CC1 ZINC000052452284 521380188 /nfs/dbraw/zinc/38/01/88/521380188.db2.gz HEOITODCBOKQOO-UHFFFAOYSA-N 2 0 260.425 3.559 10 0 CHAERP CC[N@H+](Cc1ccoc1C[NH2+]C(C)C)C1CCCC1 ZINC000052457722 521424009 /nfs/dbraw/zinc/42/40/09/521424009.db2.gz PAOQGPIMGZDVNH-UHFFFAOYSA-N 2 0 264.413 3.542 10 0 CHAERP CCC[N@H+](CC)Cc1cc(C)c(C[NH2+]CC(C)C)o1 ZINC000052448707 521613251 /nfs/dbraw/zinc/61/32/51/521613251.db2.gz AHAWEOQQJAKPAI-UHFFFAOYSA-N 2 0 266.429 3.566 10 0 CHAERP CCC[N@H+](CC)Cc1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000052448522 521614737 /nfs/dbraw/zinc/61/47/37/521614737.db2.gz WRMIXEQRNKKDCE-UHFFFAOYSA-N 2 0 262.441 3.807 10 0 CHAERP C[N@H+](CCC[C@H]1CCCC[NH2+]1)Cc1ccccc1Cl ZINC000050953075 522789256 /nfs/dbraw/zinc/78/92/56/522789256.db2.gz CINQISDKPAXABB-OAHLLOKOSA-N 2 0 280.843 3.694 10 0 CHAERP CC[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C)C1)c1cccs1 ZINC000049529331 522911292 /nfs/dbraw/zinc/91/12/92/522911292.db2.gz RRQMZSLJLZZCED-BFHYXJOUSA-N 2 0 266.454 3.519 10 0 CHAERP CC[C@H]1CCCC[N@@H+]1CC(C)(C)C[NH2+]CC(C)C ZINC000051215253 523019339 /nfs/dbraw/zinc/01/93/39/523019339.db2.gz UUOPSHQUCITXDM-HNNXBMFYSA-N 2 0 254.462 3.523 10 0 CHAERP CC[C@H]1CCCC[N@@H+]1CCCCC[NH2+]C(C)(C)C ZINC000052447779 523019870 /nfs/dbraw/zinc/01/98/70/523019870.db2.gz PWJIEQREFJBGTN-HNNXBMFYSA-N 2 0 254.462 3.809 10 0 CHAERP CC[C@H]1CCC[N@H+](CCCCC[NH2+]C(C)(C)C)C1 ZINC000052479844 523086792 /nfs/dbraw/zinc/08/67/92/523086792.db2.gz KCDWVFXKNGWMJV-HNNXBMFYSA-N 2 0 254.462 3.667 10 0 CHAERP CC[C@H](C)[N@H+](CC)Cc1cc(C)c(C[NH2+]C(C)C)o1 ZINC000052451665 523934486 /nfs/dbraw/zinc/93/44/86/523934486.db2.gz LQAQMMWDZLIESA-AWEZNQCLSA-N 2 0 266.429 3.706 10 0 CHAERP C[C@@H]1CCCC[C@@H]1[N@H+](C)CCCC[NH2+]C(C)(C)C ZINC000052546515 524131593 /nfs/dbraw/zinc/13/15/93/524131593.db2.gz GQYRMVWTWZMJTI-CABCVRRESA-N 2 0 254.462 3.665 10 0 CHAERP C[C@H](C[NH2+]C(C)(C)C)C[N@H+](C)Cc1cccc(Cl)c1 ZINC000052508020 524475963 /nfs/dbraw/zinc/47/59/63/524475963.db2.gz IPCWRKYGJOQYRG-CYBMUJFWSA-N 2 0 282.859 3.796 10 0 CHAERP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000049551632 524479565 /nfs/dbraw/zinc/47/95/65/524479565.db2.gz QBQPBRRZTDANJC-SOUVJXGZSA-N 2 0 254.462 3.521 10 0 CHAERP CCC(C)(C)C1CCC2(CC1)[C@@H]([NH3+])CC[N@@H+]2C(C)C ZINC000712012439 567836746 /nfs/dbraw/zinc/83/67/46/567836746.db2.gz NRLHFVAKPXFJQH-CKDBGZEDSA-N 2 0 266.473 3.793 10 0 CHAERP CCC[NH2+]Cc1sc(CC[NH+](CC)CC)nc1C(C)C ZINC000082434507 178011336 /nfs/dbraw/zinc/01/13/36/178011336.db2.gz FLUQVDOOUWNUEO-UHFFFAOYSA-N 2 0 297.512 3.650 10 0 CHAERP CCCCCC[NH+]1CCC([C@@H](C)[NH2+]CCC)CC1 ZINC000111709589 186448583 /nfs/dbraw/zinc/44/85/83/186448583.db2.gz KHSCDCFDFCNMHC-OAHLLOKOSA-N 2 0 254.462 3.667 10 0 CHAERP CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CCC[NH+]1CCCC1 ZINC000021500771 171304811 /nfs/dbraw/zinc/30/48/11/171304811.db2.gz JCSMDAODWUTVQV-HZPDHXFCSA-N 2 0 266.473 3.667 10 0 CHAERP [NH3+][C@@H]1CCCCCCCCCC[C@H]1[NH+]1CCCC1 ZINC000021511248 171310671 /nfs/dbraw/zinc/31/06/71/171310671.db2.gz RJUMBKUDPZXRPG-HZPDHXFCSA-N 2 0 252.446 3.693 10 0 CHAERP C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000037220190 173038402 /nfs/dbraw/zinc/03/84/02/173038402.db2.gz KVYKLFJHDWFYKU-GZBFAFLISA-N 2 0 280.843 3.721 10 0 CHAERP Cc1cc(C(C)(C)C)cc(C)c1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094342100 265238681 /nfs/dbraw/zinc/23/86/81/265238681.db2.gz JMUZSJJLAYTFCM-QAPCUYQASA-N 2 0 288.479 3.770 10 0 CHAERP Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCC[N@@H+]2C)cc1F ZINC000094955365 265278793 /nfs/dbraw/zinc/27/87/93/265278793.db2.gz JVRMJRNIYQRYIZ-HOCLYGCPSA-N 2 0 278.415 3.659 10 0 CHAERP C[C@H]([NH2+][C@H](CC(C)(C)C)c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400523965 332712678 /nfs/dbraw/zinc/71/26/78/332712678.db2.gz PIBXHAHXTNEXDP-USXIJHARSA-N 2 0 274.452 3.752 10 0 CHAERP C[C@@]1(C[NH+](Cc2ccccc2)Cc2ccccc2)CC[NH2+]C1 ZINC000307160755 333012782 /nfs/dbraw/zinc/01/27/82/333012782.db2.gz DWVPNSMAHNRPHM-HXUWFJFHSA-N 2 0 294.442 3.688 10 0 CHAERP C[C@@H]1C[C@@H]([NH2+]CC2(C)CC[NH+](C)CC2)CC(C)(C)C1 ZINC000227330300 333280733 /nfs/dbraw/zinc/28/07/33/333280733.db2.gz VOIICUCLIAAIJR-HUUCEWRRSA-N 2 0 266.473 3.523 10 0 CHAERP CC(C)[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccccc1Cl ZINC000091335722 334376550 /nfs/dbraw/zinc/37/65/50/334376550.db2.gz PYKXMUYGXVAXJC-PBHICJAKSA-N 2 0 294.870 3.969 10 0 CHAERP CC(C)C[NH2+]CCC[C@@H](C)[N@H+](CC(C)C)C1CC1 ZINC000052515844 519743648 /nfs/dbraw/zinc/74/36/48/519743648.db2.gz HIVITMBAODFYLL-OAHLLOKOSA-N 2 0 254.462 3.521 10 0 CHAERP CC(C)C[NH2+]C[C@@H](C)C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000052517476 519744449 /nfs/dbraw/zinc/74/44/49/519744449.db2.gz PRMZJMRXGQIVON-NVXWUHKLSA-N 2 0 266.473 3.523 10 0 CHAERP CCC[NH2+]Cc1cc(C[N@H+](C)[C@@H](C)C(C)C)oc1C ZINC000052478427 519943727 /nfs/dbraw/zinc/94/37/27/519943727.db2.gz CNFSOSVXMORTCT-ZDUSSCGKSA-N 2 0 266.429 3.564 10 0 CHAERP CC[NH2+]Cc1cc(C[N@H+](C)[C@@H](C)C(C)(C)C)c(C)o1 ZINC000052504579 519987733 /nfs/dbraw/zinc/98/77/33/519987733.db2.gz QOEARGOVBGLBNW-ZDUSSCGKSA-N 2 0 266.429 3.564 10 0 CHAERP CC[N@H+]([C@@H](C)CC[NH2+]CC(C)C)C1CCCCC1 ZINC000052420177 521472950 /nfs/dbraw/zinc/47/29/50/521472950.db2.gz VJDCPONJDGJGCK-HNNXBMFYSA-N 2 0 254.462 3.665 10 0 CHAERP CCC[NH+](CCC)Cc1ccccc1C[NH2+]C(C)C ZINC000052416884 521648736 /nfs/dbraw/zinc/64/87/36/521648736.db2.gz DQLZNPHWIHZMJK-UHFFFAOYSA-N 2 0 262.441 3.807 10 0 CHAERP CC(C)(C)C1CC[NH+](CCCCC[NH2+]C2CC2)CC1 ZINC000052373663 518608011 /nfs/dbraw/zinc/60/80/11/518608011.db2.gz CNKZEDXJSVFIIS-UHFFFAOYSA-N 2 0 266.473 3.667 10 0 CHAERP CC(C)C[C@@H](C)[N@H+](C)Cc1cc(C[NH2+]C(C)C)co1 ZINC000052571964 519772684 /nfs/dbraw/zinc/77/26/84/519772684.db2.gz VCXNKWFZAPUNLR-CQSZACIVSA-N 2 0 266.429 3.644 10 0 CHAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)CCCC(C)C ZINC000054629676 519910584 /nfs/dbraw/zinc/91/05/84/519910584.db2.gz IJZVRKADKKLCAR-XYTVBORESA-N 2 0 266.473 3.806 10 0 CHAERP CCC[NH2+]Cc1ccc(C[N@H+](CCC)C2CC2)cc1 ZINC000052449203 519947436 /nfs/dbraw/zinc/94/74/36/519947436.db2.gz DSAMNECXLRIJLI-UHFFFAOYSA-N 2 0 260.425 3.561 10 0 CHAERP CC[NH2+]Cc1cccc(C[N@H+](CC)C2CCCC2)c1 ZINC000052457649 520004118 /nfs/dbraw/zinc/00/41/18/520004118.db2.gz KCSBCMWQBQYIMS-UHFFFAOYSA-N 2 0 260.425 3.561 10 0 CHAERP CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1C[NH+]1CCCCCC1 ZINC000053861990 520096070 /nfs/dbraw/zinc/09/60/70/520096070.db2.gz KBGINAGJGUDRBQ-BBWFWOEESA-N 2 0 266.473 3.667 10 0 CHAERP CC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)c2ccsc2)C1 ZINC000061361147 521650530 /nfs/dbraw/zinc/65/05/30/521650530.db2.gz RBUJALNTLVDUCD-RDBSUJKOSA-N 2 0 266.454 3.519 10 0 CHAERP CCC[N@H+](Cc1csc(C[NH2+]CC(C)C)n1)C(C)C ZINC000052450094 521692860 /nfs/dbraw/zinc/69/28/60/521692860.db2.gz DHRRLAFDCDGNAO-UHFFFAOYSA-N 2 0 283.485 3.509 10 0 CHAERP CC[C@@H](C)C[C@H](CC)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063197437 522027309 /nfs/dbraw/zinc/02/73/09/522027309.db2.gz YVOLMRBZPZZWNP-PVAVHDDUSA-N 2 0 266.473 3.665 10 0 CHAERP CC[C@@H](C)[N@H+](C)Cc1cc(C[NH2+]C(C)(C)C)oc1C ZINC000052444294 522064213 /nfs/dbraw/zinc/06/42/13/522064213.db2.gz YEPFAGRYMFOTTD-GFCCVEGCSA-N 2 0 266.429 3.706 10 0 CHAERP CC[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)C1CCCCC1 ZINC000052338738 522839254 /nfs/dbraw/zinc/83/92/54/522839254.db2.gz WEQLYTXJCQBLJR-DLBZAZTESA-N 2 0 266.473 3.809 10 0 CHAERP CC[C@H]1CCCC[N@@H+]1[C@@H](C)CCC[NH2+]CC(C)C ZINC000052447744 523031483 /nfs/dbraw/zinc/03/14/83/523031483.db2.gz MSFVZXIRLMLEIC-HOTGVXAUSA-N 2 0 254.462 3.665 10 0 CHAERP Cc1ccccc1C[N@@H+](C)[C@@H](C)CC[NH2+]C(C)(C)C ZINC000052547159 525131257 /nfs/dbraw/zinc/13/12/57/525131257.db2.gz UZVMWWBEDYKJMC-HNNXBMFYSA-N 2 0 262.441 3.594 10 0 CHAERP CCC[NH2+][C@H]1CCCCC[C@@H]1C[NH+]1CCCCCC1 ZINC000103995780 185878138 /nfs/dbraw/zinc/87/81/38/185878138.db2.gz PIXVSMCFKWVEQM-SJORKVTESA-N 2 0 266.473 3.811 10 0 CHAERP C[C@@H]1CC(C)(C)C[C@](C[NH3+])([N@@H+]2CCc3ccccc3C2)C1 ZINC000020552830 171248036 /nfs/dbraw/zinc/24/80/36/171248036.db2.gz LNLOQXIKTZDOKA-DNVCBOLYSA-N 2 0 286.463 3.588 10 0 CHAERP [NH3+][C@H]1CCCCCCCCCC[C@@H]1[NH+]1CCCC1 ZINC000021511247 171310338 /nfs/dbraw/zinc/31/03/38/171310338.db2.gz RJUMBKUDPZXRPG-HOTGVXAUSA-N 2 0 252.446 3.693 10 0 CHAERP CC[C@H](C[C@@H](C)CC)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000022147275 171357240 /nfs/dbraw/zinc/35/72/40/171357240.db2.gz VDOMPRYJOHVYHF-DOTOQJQBSA-N 2 0 268.489 3.913 10 0 CHAERP CC(C)[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1cccs1 ZINC000037072478 172932776 /nfs/dbraw/zinc/93/27/76/172932776.db2.gz PGTXTPRMFLJRGF-BBRMVZONSA-N 2 0 280.481 3.765 10 0 CHAERP CCC[NH+]1CCC([C@H](C)[NH2+][C@H](C)CC(C)C)CC1 ZINC000037260297 173070932 /nfs/dbraw/zinc/07/09/32/173070932.db2.gz KKKMALPFLNWSJH-CABCVRRESA-N 2 0 254.462 3.521 10 0 CHAERP CC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccccc1 ZINC000038041819 174043660 /nfs/dbraw/zinc/04/36/60/174043660.db2.gz KGURAGARTCIECH-FUHWJXTLSA-N 2 0 274.452 3.849 10 0 CHAERP CCCCC[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000038041887 174044622 /nfs/dbraw/zinc/04/46/22/174044622.db2.gz LMHSYPKTBKGCGR-CVEARBPZSA-N 2 0 254.462 3.667 10 0 CHAERP CC[C@@H]([NH2+][C@H]1CCCN(CC)C1)c1ccc(C)cc1 ZINC000040502306 260285466 /nfs/dbraw/zinc/28/54/66/260285466.db2.gz KHZQKSKFJFZCCF-DLBZAZTESA-N 2 0 260.425 3.520 10 0 CHAERP Cc1ccc(N2CCC([NH2+][C@@H](C)CCC3CC3)CC2)nc1 ZINC000186355733 329343623 /nfs/dbraw/zinc/34/36/23/329343623.db2.gz VLYQOUXNXBBICA-HNNXBMFYSA-N 2 0 287.451 3.527 10 0 CHAERP CCC(C)(C)C1CCC([NH2+][C@@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000400321009 331385072 /nfs/dbraw/zinc/38/50/72/331385072.db2.gz BDSJRUUJIMPJJW-FXQLRMTLSA-N 2 0 266.473 3.569 10 0 CHAERP CC[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000309783440 333049504 /nfs/dbraw/zinc/04/95/04/333049504.db2.gz LTSXXLRKRVSHOG-UHOSZYNNSA-N 2 0 288.479 3.921 10 0 CHAERP CCCC[C@@H]([NH2+]C[C@H]1CCCN1C)c1ccccc1 ZINC000219161669 333143052 /nfs/dbraw/zinc/14/30/52/333143052.db2.gz FHFJLCPEXSFELI-IAGOWNOFSA-N 2 0 260.425 3.602 10 0 CHAERP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)c1ccc(F)c(Cl)c1 ZINC000251344782 334360056 /nfs/dbraw/zinc/36/00/56/334360056.db2.gz QWVJWOADHIHMLN-IAQYHMDHSA-N 2 0 286.822 3.845 10 0 CHAERP C1CCCC[NH2+]CCCCCCCC[NH2+]CCC1 ZINC000062723249 518580368 /nfs/dbraw/zinc/58/03/68/518580368.db2.gz DQXNDQIWVQIEBP-UHFFFAOYSA-N 2 0 254.462 3.860 10 0 CHAERP CC(C)[N@H+](CCCCC[NH2+]C1CC1)Cc1cccs1 ZINC000052545024 519643084 /nfs/dbraw/zinc/64/30/84/519643084.db2.gz JDIZNPYAADLUCT-UHFFFAOYSA-N 2 0 280.481 3.881 10 0 CHAERP CCC[NH2+]Cc1cc(C[N@H+](C)[C@H](C)C(C)C)c(C)o1 ZINC000052478642 519946187 /nfs/dbraw/zinc/94/61/87/519946187.db2.gz RMHYHUPSBDDAKF-CYBMUJFWSA-N 2 0 266.429 3.564 10 0 CHAERP CCCC[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](CCC)C1 ZINC000050887321 521010647 /nfs/dbraw/zinc/01/06/47/521010647.db2.gz REZHNJXDHFTEIE-OWCLPIDISA-N 2 0 254.462 3.665 10 0 CHAERP CC(C)C[NH+](CCC[C@@H]1CCCC[NH2+]1)CC(C)C ZINC000050953020 519715209 /nfs/dbraw/zinc/71/52/09/519715209.db2.gz JJJRXUDVSUAZQZ-INIZCTEOSA-N 2 0 254.462 3.523 10 0 CHAERP CC[NH2+]CCC[C@@H](C)[N@H+](Cc1cccs1)C(C)C ZINC000052545008 519919744 /nfs/dbraw/zinc/91/97/44/519919744.db2.gz BRFSTVDFBMBLNN-CQSZACIVSA-N 2 0 268.470 3.737 10 0 CHAERP CCC[NH2+]Cc1coc(C[N@H+](C)[C@H](C)C(C)(C)C)c1 ZINC000052504489 519966191 /nfs/dbraw/zinc/96/61/91/519966191.db2.gz JUPXFLODVPWDDX-CYBMUJFWSA-N 2 0 266.429 3.646 10 0 CHAERP CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C[N@H+](CCC)C1CC1 ZINC000053865909 520024741 /nfs/dbraw/zinc/02/47/41/520024741.db2.gz BNZMQYRCUIXNSG-BFYDXBDKSA-N 2 0 266.473 3.665 10 0 CHAERP CCCC[N@H+](C)Cc1ccccc1C[NH2+]C(C)(C)C ZINC000052418073 520421034 /nfs/dbraw/zinc/42/10/34/520421034.db2.gz XZCGURIGMVGEMO-UHFFFAOYSA-N 2 0 262.441 3.807 10 0 CHAERP CC[N@H+](Cc1ccccc1)[C@H](C)CCC[NH2+]C(C)C ZINC000052443792 521374362 /nfs/dbraw/zinc/37/43/62/521374362.db2.gz PZXWSAAHXOXCMI-MRXNPFEDSA-N 2 0 262.441 3.675 10 0 CHAERP CCC[N@H+](Cc1cc(C[NH2+]CC(C)C)co1)C(C)C ZINC000052450467 521680911 /nfs/dbraw/zinc/68/09/11/521680911.db2.gz YIYHPHUJFYYITB-UHFFFAOYSA-N 2 0 266.429 3.646 10 0 CHAERP CC[C@@H]([NH2+][C@H](C)[C@@H]1CCC[N@H+](C)C1)c1cccs1 ZINC000049529333 522936151 /nfs/dbraw/zinc/93/61/51/522936151.db2.gz RRQMZSLJLZZCED-MGPQQGTHSA-N 2 0 266.454 3.519 10 0 CHAERP CC[C@H](c1cccs1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063197378 522952596 /nfs/dbraw/zinc/95/25/96/522952596.db2.gz ANWWAZNIQOECEI-HUUCEWRRSA-N 2 0 278.465 3.663 10 0 CHAERP CC[C@@H]1CCCC[N@@H+]1CCCCC[NH2+]C(C)(C)C ZINC000052447776 523166577 /nfs/dbraw/zinc/16/65/77/523166577.db2.gz PWJIEQREFJBGTN-OAHLLOKOSA-N 2 0 254.462 3.809 10 0 CHAERP CCC[N@@H+]1CC[C@@H]([NH3+])C12CCC(C(C)(C)CC)CC2 ZINC000712032410 567836644 /nfs/dbraw/zinc/83/66/44/567836644.db2.gz OXVCIPZSQDDLGC-ISXOHVOVSA-N 2 0 266.473 3.795 10 0 CHAERP