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 171249446 /nfs/dbraw/zinc/24/94/46/171249446.db2.gz MLJGQLAXMUMYMM-UHFFFAOYSA-N 2 1 260.425 3.560 10 0 CHAEMP CC[C@H](C)C[C@@](CC)(C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000020556327 171249768 /nfs/dbraw/zinc/24/97/68/171249768.db2.gz GRJNOFZDHXXMNA-RDJZCZTQSA-N 2 1 262.441 3.662 10 0 CHAEMP CC(C)[NH+](CC[NH2+]C1[C@@H](C)CCC[C@@H]1C)C(C)C ZINC000021009495 171286435 /nfs/dbraw/zinc/28/64/35/171286435.db2.gz ARCJVAHCGZSJTA-GJZGRUSLSA-N 2 1 254.462 3.520 10 0 CHAEMP C[C@H]1CCCC[C@H]1[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000021812235 171329669 /nfs/dbraw/zinc/32/96/69/171329669.db2.gz ZETGRTJIZYRIIM-FUHWJXTLSA-N 2 1 274.452 3.677 10 0 CHAEMP [NH3+][C@@H]1CCCC[C@H]1Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000038050616 174062348 /nfs/dbraw/zinc/06/23/48/174062348.db2.gz FLFRSWXQLFLIPI-TZMCWYRMSA-N 2 1 275.783 3.570 10 0 CHAEMP CC(C)c1[nH+]ccn1[C@H](c1cccc(Cl)c1)[C@@H](C)[NH3+] ZINC000043016748 174943603 /nfs/dbraw/zinc/94/36/03/174943603.db2.gz YWRWNNVAIHNZOR-RISCZKNCSA-N 2 1 277.799 3.597 10 0 CHAEMP CCCCC[N@@H+](Cc1ccc(F)cc1C[NH3+])C(C)C ZINC000071263474 176097067 /nfs/dbraw/zinc/09/70/67/176097067.db2.gz MLJUMGIIJQGJAL-UHFFFAOYSA-N 2 1 266.404 3.685 10 0 CHAEMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000070169451 260152664 /nfs/dbraw/zinc/15/26/64/260152664.db2.gz OOLVELPYRKSHGK-HNNXBMFYSA-N 2 1 274.452 3.545 10 0 CHAEMP CCC[N@H+](Cc1c(F)cccc1Cl)CC1CC[NH2+]CC1 ZINC000094012006 265208785 /nfs/dbraw/zinc/20/87/85/265208785.db2.gz NJWCFMNOZDYHMD-UHFFFAOYSA-N 2 1 298.833 3.691 10 0 CHAEMP Cc1cc(C(C)(C)C)cc(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000094342101 265238500 /nfs/dbraw/zinc/23/85/00/265238500.db2.gz JMUZSJJLAYTFCM-CRAIPNDOSA-N 2 1 288.479 3.770 10 0 CHAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC[C@H](C)c1ccccc1 ZINC000248828231 334318337 /nfs/dbraw/zinc/31/83/37/334318337.db2.gz GTCSNTXQXTUFSZ-QFBILLFUSA-N 2 1 297.446 3.850 10 0 CHAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC[C@H](C)c1ccccc1 ZINC000248828231 334318339 /nfs/dbraw/zinc/31/83/39/334318339.db2.gz GTCSNTXQXTUFSZ-QFBILLFUSA-N 2 1 297.446 3.850 10 0 CHAEMP CC[C@H]([NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000309783438 333049438 /nfs/dbraw/zinc/04/94/38/333049438.db2.gz LTSXXLRKRVSHOG-NEWSRXKRSA-N 2 1 288.479 3.921 10 0 CHAEMP Cc1ccc([C@H](C)[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)o1 ZINC000227398980 333282394 /nfs/dbraw/zinc/28/23/94/333282394.db2.gz WAJGXICZEYNPMR-VHDGCEQUSA-N 2 1 264.413 3.549 10 0 CHAEMP CCC(CC)[C@H](C[NH2+][C@@H]1CC[C@@H](CC)C1)[NH+](C)C ZINC000080429114 334171440 /nfs/dbraw/zinc/17/14/40/334171440.db2.gz XUMNSQROPSIZLE-BMFZPTHFSA-N 2 1 254.462 3.521 10 0 CHAEMP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248062088 334294482 /nfs/dbraw/zinc/29/44/82/334294482.db2.gz LXLNUSWAXWSECQ-DRRXZNNHSA-N 2 1 266.473 3.520 10 0 CHAEMP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248062088 334294483 /nfs/dbraw/zinc/29/44/83/334294483.db2.gz LXLNUSWAXWSECQ-DRRXZNNHSA-N 2 1 266.473 3.520 10 0 CHAEMP CCC1CCC([N@@H+](C)CCC[C@H]2CCCC[NH2+]2)CC1 ZINC000050953432 519853511 /nfs/dbraw/zinc/85/35/11/519853511.db2.gz PFBZSXKGPWPFSL-AQFXKWCLSA-N 2 1 266.473 3.809 10 0 CHAEMP CCCCC[N@@H+](C)Cc1c2ccccc2oc1C[NH3+] ZINC000052454730 520153018 /nfs/dbraw/zinc/15/30/18/520153018.db2.gz MMSBNJLBVBGKNT-UHFFFAOYSA-N 2 1 260.381 3.514 10 0 CHAEMP CC(C)(C)[C@@H]1CC[C@H]([NH3+])[C@H](C[N@H+]2CCCC2(C)C)C1 ZINC000063073262 518944878 /nfs/dbraw/zinc/94/48/78/518944878.db2.gz ALMRUTWISLVJPO-ZNMIVQPWSA-N 2 1 266.473 3.651 10 0 CHAEMP CC(C)C[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccc(Cl)s1 ZINC000052509277 519744182 /nfs/dbraw/zinc/74/41/82/519744182.db2.gz XSWFIJBFIZLBOE-GFCCVEGCSA-N 2 1 288.888 3.858 10 0 CHAEMP CC(C)C[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000052509277 519744183 /nfs/dbraw/zinc/74/41/83/519744183.db2.gz XSWFIJBFIZLBOE-GFCCVEGCSA-N 2 1 288.888 3.858 10 0 CHAEMP CC(C)C[NH2+]Cc1occc1C[N@@H+](C)[C@H](C)C(C)C ZINC000052478664 519748891 /nfs/dbraw/zinc/74/88/91/519748891.db2.gz XQUUSZHWGXZGDL-CQSZACIVSA-N 2 1 266.429 3.502 10 0 CHAEMP CC(C)[C@H](C)[N@@H+](C)Cc1c2ccccc2sc1C[NH3+] ZINC000052478538 519811817 /nfs/dbraw/zinc/81/18/17/519811817.db2.gz LXNQGQNQIZHCHS-LBPRGKRZSA-N 2 1 276.449 3.836 10 0 CHAEMP CCC[NH2+]CCCCC[N@@H+](C)Cc1ccc(C)cc1 ZINC000052424718 519912525 /nfs/dbraw/zinc/91/25/25/519912525.db2.gz QJWKJYPISCUOKZ-UHFFFAOYSA-N 2 1 262.441 3.597 10 0 CHAEMP CCC[NH2+]Cc1ccc(C[N@@H+](C)[C@H](C)CCC)cc1 ZINC000052480742 519947067 /nfs/dbraw/zinc/94/70/67/519947067.db2.gz UCBKCQCGYWTBHV-OAHLLOKOSA-N 2 1 262.441 3.807 10 0 CHAEMP CCCC[N@@H+](CC)Cc1cc(C)c(C[NH2+]C(C)C)o1 ZINC000052418889 520479682 /nfs/dbraw/zinc/47/96/82/520479682.db2.gz GZZLYOBUISLFSW-UHFFFAOYSA-N 2 1 266.429 3.708 10 0 CHAEMP CCC(CC)C[N@@H+](CC)CCCCC[NH2+]C1CC1 ZINC000052540718 521520993 /nfs/dbraw/zinc/52/09/93/521520993.db2.gz XXYAKMSBBZIUJV-UHFFFAOYSA-N 2 1 254.462 3.667 10 0 CHAEMP CCC[N@@H+](Cc1cccc(C[NH2+]C(C)C)c1)C(C)C ZINC000052450233 521685630 /nfs/dbraw/zinc/68/56/30/521685630.db2.gz ZZYBHTCHGZDQOA-UHFFFAOYSA-N 2 1 262.441 3.805 10 0 CHAEMP C[C@@H](c1ccsc1)[N@@H+]1CC[C@H](C[NH2+]C(C)(C)C)C1 ZINC000061363898 526155761 /nfs/dbraw/zinc/15/57/61/526155761.db2.gz DOIMAWXRLBBSEN-QWHCGFSZSA-N 2 1 266.454 3.519 10 0 CHAEMP C[C@@H](c1ccsc1)[N@H+]1CC[C@H](C[NH2+]C(C)(C)C)C1 ZINC000061363898 526155768 /nfs/dbraw/zinc/15/57/68/526155768.db2.gz DOIMAWXRLBBSEN-QWHCGFSZSA-N 2 1 266.454 3.519 10 0 CHAEMP CCCCCC[C@](C)(C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000020362580 171161845 /nfs/dbraw/zinc/16/18/45/171161845.db2.gz OQWFSALBLZPMIG-QGZVFWFLSA-N 2 1 262.441 3.806 10 0 CHAEMP CCCCCC[C@](C)(C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000020362580 171161847 /nfs/dbraw/zinc/16/18/47/171161847.db2.gz OQWFSALBLZPMIG-QGZVFWFLSA-N 2 1 262.441 3.806 10 0 CHAEMP CC(C)[NH+](CC[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1)C(C)C ZINC000021788806 171323415 /nfs/dbraw/zinc/32/34/15/171323415.db2.gz GTUPWGGTHRMTGK-JKSUJKDBSA-N 2 1 268.489 3.910 10 0 CHAEMP CC(C)[N@@H+](Cc1ccccc1)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000040431886 174260469 /nfs/dbraw/zinc/26/04/69/174260469.db2.gz HVMKFWTUIFKOBB-DLBZAZTESA-N 2 1 260.425 3.557 10 0 CHAEMP Cc1cc[nH+]c(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000301664130 261339232 /nfs/dbraw/zinc/33/92/32/261339232.db2.gz VUYUOKLOCWPNQN-FUHWJXTLSA-N 2 1 295.430 3.855 10 0 CHAEMP Cc1cc[nH+]c(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000301664130 261339234 /nfs/dbraw/zinc/33/92/34/261339234.db2.gz VUYUOKLOCWPNQN-FUHWJXTLSA-N 2 1 295.430 3.855 10 0 CHAEMP Cc1ccccc1[C@H](C)[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000049856253 328380359 /nfs/dbraw/zinc/38/03/59/328380359.db2.gz PPODYTVMVVTOTQ-JKSUJKDBSA-N 2 1 260.425 3.520 10 0 CHAEMP Cc1ccc(N2CCC([NH2+][C@@H]3CCC34CCCC4)CC2)[nH+]c1 ZINC000189134649 329376142 /nfs/dbraw/zinc/37/61/42/329376142.db2.gz HNGOIVYOLZAXNI-QGZVFWFLSA-N 2 1 299.462 3.671 10 0 CHAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC[C@H](C)c1ccccc1 ZINC000248828226 334318331 /nfs/dbraw/zinc/31/83/31/334318331.db2.gz GTCSNTXQXTUFSZ-LPHOPBHVSA-N 2 1 297.446 3.850 10 0 CHAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC[C@H](C)c1ccccc1 ZINC000248828226 334318332 /nfs/dbraw/zinc/31/83/32/334318332.db2.gz GTCSNTXQXTUFSZ-LPHOPBHVSA-N 2 1 297.446 3.850 10 0 CHAEMP CC[C@H](C)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000309812848 333049964 /nfs/dbraw/zinc/04/99/64/333049964.db2.gz XBDQHBHLTUUSJG-GDAAHCPNSA-N 2 1 286.463 3.533 10 0 CHAEMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3)C[C@@H]21 ZINC000230125801 333314819 /nfs/dbraw/zinc/31/48/19/333314819.db2.gz MHKFWAOGSZMWSL-BYCMXARLSA-N 2 1 299.245 3.553 10 0 CHAEMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)cc(Cl)c3)C[C@@H]21 ZINC000230125801 333314820 /nfs/dbraw/zinc/31/48/20/333314820.db2.gz MHKFWAOGSZMWSL-BYCMXARLSA-N 2 1 299.245 3.553 10 0 CHAEMP CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000249385087 334333089 /nfs/dbraw/zinc/33/30/89/334333089.db2.gz YJHKOFHEFLRGLR-OIISXLGYSA-N 2 1 278.484 3.665 10 0 CHAEMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251109676 334356815 /nfs/dbraw/zinc/35/68/15/334356815.db2.gz TUFFKCDQAILSQG-JGGQBBKZSA-N 2 1 280.843 3.850 10 0 CHAEMP CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000252419970 334379296 /nfs/dbraw/zinc/37/92/96/334379296.db2.gz XBNCOFTXYQOTFJ-LCGQUYPVSA-N 2 1 278.484 3.662 10 0 CHAEMP CC(C)[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000382085355 336081521 /nfs/dbraw/zinc/08/15/21/336081521.db2.gz XEYVHZBVXNYHFH-DSLXNQLJSA-N 2 1 286.463 3.531 10 0 CHAEMP CCC[NH2+]Cc1ccoc1C[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000052504332 519958104 /nfs/dbraw/zinc/95/81/04/519958104.db2.gz DXFBUUSSYSVPSP-ZDUSSCGKSA-N 2 1 266.429 3.646 10 0 CHAEMP CC[NH2+]Cc1oc(C[N@@H+](C)[C@H](C)C(C)(C)C)cc1C ZINC000052504635 520026682 /nfs/dbraw/zinc/02/66/82/520026682.db2.gz BQXRXSNOMNVXJO-CYBMUJFWSA-N 2 1 266.429 3.564 10 0 CHAEMP CCCCCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]CC)C2 ZINC000054628974 520115194 /nfs/dbraw/zinc/11/51/94/520115194.db2.gz SVHOPSPUAZHCMR-MGNMYUMUSA-N 2 1 266.473 3.950 10 0 CHAEMP CCCCC[N@@H+](C)Cc1cc(C[NH2+]C(C)C)c(C)o1 ZINC000052454701 520151475 /nfs/dbraw/zinc/15/14/75/520151475.db2.gz XRYMGHSVGSQNQB-UHFFFAOYSA-N 2 1 266.429 3.708 10 0 CHAEMP CCCCC[N@@H+](C)Cc1ccc(C[NH2+]C2CC2)cc1 ZINC000052454900 520153109 /nfs/dbraw/zinc/15/31/09/520153109.db2.gz OUBZJJWXRZBAED-UHFFFAOYSA-N 2 1 260.425 3.561 10 0 CHAEMP CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2CC)c(Cl)c1 ZINC000061698469 520176659 /nfs/dbraw/zinc/17/66/59/520176659.db2.gz XRLPEZVVIJZIDH-LLVKDONJSA-N 2 1 277.799 3.759 10 0 CHAEMP CC(C)(C)[NH2+]CCCC[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000052482444 518755270 /nfs/dbraw/zinc/75/52/70/518755270.db2.gz CJPKZMRLYQPQNR-CVEARBPZSA-N 2 1 266.473 3.809 10 0 CHAEMP CC(C)C[N@@H+](CCCCC[NH2+]C(C)(C)C)C1CC1 ZINC000052515862 519715408 /nfs/dbraw/zinc/71/54/08/519715408.db2.gz DWTOEAGZXGXGDY-UHFFFAOYSA-N 2 1 254.462 3.665 10 0 CHAEMP CCCCC[N@@H+](C)Cc1cc(C)c(C[NH2+]CCC)o1 ZINC000052455018 520151646 /nfs/dbraw/zinc/15/16/46/520151646.db2.gz YSNNUMOOWBWZHD-UHFFFAOYSA-N 2 1 266.429 3.710 10 0 CHAEMP CCCC[N@@H+](CC)Cc1ccccc1C[NH2+]C(C)C ZINC000052418856 520477631 /nfs/dbraw/zinc/47/76/31/520477631.db2.gz XPGHEHGIRMHFBI-UHFFFAOYSA-N 2 1 262.441 3.807 10 0 CHAEMP CCC[N@@H+](Cc1occc1C[NH2+]CC(C)C)C(C)C ZINC000052450265 521696767 /nfs/dbraw/zinc/69/67/67/521696767.db2.gz QIDSXHTUMMLYNG-UHFFFAOYSA-N 2 1 266.429 3.646 10 0 CHAEMP C[C@@H]1CCCC[C@H]1[N@@H+](C)CCCC[NH2+]C(C)(C)C ZINC000052546517 524162221 /nfs/dbraw/zinc/16/22/21/524162221.db2.gz GQYRMVWTWZMJTI-HUUCEWRRSA-N 2 1 254.462 3.665 10 0 CHAEMP CC[NH+](CC)CCC[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000082504840 178069097 /nfs/dbraw/zinc/06/90/97/178069097.db2.gz OQOAWKNWWZVKJV-MRXNPFEDSA-N 2 1 290.451 3.610 10 0 CHAEMP C[NH2+][C@@H](CC[N@H+](C)C[C@@H]1C[C@@H]1C)c1ccc(Cl)cc1 ZINC000104412245 185992662 /nfs/dbraw/zinc/99/26/62/185992662.db2.gz RGAHDZIPYOGDGF-NOLJZWGESA-N 2 1 280.843 3.578 10 0 CHAEMP C[NH2+][C@@H](CC[N@@H+](C)C[C@@H]1C[C@@H]1C)c1ccc(Cl)cc1 ZINC000104412245 185992664 /nfs/dbraw/zinc/99/26/64/185992664.db2.gz RGAHDZIPYOGDGF-NOLJZWGESA-N 2 1 280.843 3.578 10 0 CHAEMP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1(C)CCCC1 ZINC000104446138 186005477 /nfs/dbraw/zinc/00/54/77/186005477.db2.gz LFTPJYCPPCNMCX-MQVJKMGUSA-N 2 1 264.457 3.562 10 0 CHAEMP Cc1ccc([C@@H]([NH3+])[C@H](C)n2cc[nH+]c2C(C)C)cc1 ZINC000020262075 171119841 /nfs/dbraw/zinc/11/98/41/171119841.db2.gz WINQOOYGESEFIP-ZFWWWQNUSA-N 2 1 257.381 3.576 10 0 CHAEMP C[C@@H]1CC(C)(C)C[C@@](C[NH3+])([N@H+]2CCc3ccccc3C2)C1 ZINC000020552828 171248139 /nfs/dbraw/zinc/24/81/39/171248139.db2.gz LNLOQXIKTZDOKA-BEFAXECRSA-N 2 1 286.463 3.588 10 0 CHAEMP CC(C)[NH+](CC[NH2+]C1[C@H](C)CCC[C@H]1C)C(C)C ZINC000021009490 171286470 /nfs/dbraw/zinc/28/64/70/171286470.db2.gz ARCJVAHCGZSJTA-HUUCEWRRSA-N 2 1 254.462 3.520 10 0 CHAEMP CCCCOc1ccc(C[NH2+]CCC[NH+](CC)CC)cc1 ZINC000021010413 171286599 /nfs/dbraw/zinc/28/65/99/171286599.db2.gz ZBDNOYUMJAGGMH-UHFFFAOYSA-N 2 1 292.467 3.687 10 0 CHAEMP CC(C)[NH+](CC[NH2+]C1C2CC3CC(C2)CC1C3)C(C)C ZINC000035161947 172022446 /nfs/dbraw/zinc/02/24/46/172022446.db2.gz ZBIZTSBHGKQCOB-UHFFFAOYSA-N 2 1 278.484 3.520 10 0 CHAEMP C[C@@H]1CC(C)(C)C[C@](C[NH3+])([N@H+](C)Cc2cccs2)C1 ZINC000035717215 172371110 /nfs/dbraw/zinc/37/11/10/172371110.db2.gz WGICFRHCUJGLFN-CZUORRHYSA-N 2 1 280.481 3.724 10 0 CHAEMP C[C@@H]1CC(C)(C)C[C@](C[NH3+])([N@@H+](C)Cc2cccs2)C1 ZINC000035717215 172371113 /nfs/dbraw/zinc/37/11/13/172371113.db2.gz WGICFRHCUJGLFN-CZUORRHYSA-N 2 1 280.481 3.724 10 0 CHAEMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3Cl)C[C@H]21 ZINC000228471229 262339140 /nfs/dbraw/zinc/33/91/40/262339140.db2.gz AZKJYZSBSYDKBM-WDBKCZKBSA-N 2 1 299.245 3.553 10 0 CHAEMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3Cl)C[C@H]21 ZINC000228471229 262339141 /nfs/dbraw/zinc/33/91/41/262339141.db2.gz AZKJYZSBSYDKBM-WDBKCZKBSA-N 2 1 299.245 3.553 10 0 CHAEMP CCC[N@@H+](CC1CC[NH2+]CC1)[C@@H](CC)c1ccccc1 ZINC000094011981 265208998 /nfs/dbraw/zinc/20/89/98/265208998.db2.gz QVZQAOJPOYDENH-SFHVURJKSA-N 2 1 274.452 3.849 10 0 CHAEMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000049856221 328380419 /nfs/dbraw/zinc/38/04/19/328380419.db2.gz LGLQMRLJQQDCEN-CJNGLKHVSA-N 2 1 280.843 3.865 10 0 CHAEMP C[C@H](c1ccc2ccccc2c1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000093873104 327145826 /nfs/dbraw/zinc/14/58/26/327145826.db2.gz SDDGSTUYRLYKRL-CQSZACIVSA-N 2 1 270.420 3.818 10 0 CHAEMP CC[C@H](C)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000309812857 333049956 /nfs/dbraw/zinc/04/99/56/333049956.db2.gz XBDQHBHLTUUSJG-WZGPROSRSA-N 2 1 286.463 3.533 10 0 CHAEMP C[C@H](CCCC[NH3+])Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000382007145 336079750 /nfs/dbraw/zinc/07/97/50/336079750.db2.gz MJZKNGZCEFXXPL-LLVKDONJSA-N 2 1 277.799 3.818 10 0 CHAEMP CC(C)C[N@@H+](C(C)C)[C@H](C)CCC[NH2+]C(C)(C)C ZINC000052572633 519707790 /nfs/dbraw/zinc/70/77/90/519707790.db2.gz KOOFWGZMXWBHGB-OAHLLOKOSA-N 2 1 256.478 3.910 10 0 CHAEMP CC(C)[NH2+]C[C@@H](C(C)C)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000052482191 519722468 /nfs/dbraw/zinc/72/24/68/519722468.db2.gz PXOCKUINDVAIAB-BBWFWOEESA-N 2 1 266.473 3.521 10 0 CHAEMP CC(C)C[NH2+]CCCCC[N@@H+](C)[C@H](C)C(C)(C)C ZINC000052504532 519743237 /nfs/dbraw/zinc/74/32/37/519743237.db2.gz YPURPNOESJTFKE-OAHLLOKOSA-N 2 1 256.478 3.769 10 0 CHAEMP CCC(CC)[N@@H+](C)Cc1cccc(C[NH2+]C(C)C)c1 ZINC000052478021 521542950 /nfs/dbraw/zinc/54/29/50/521542950.db2.gz HMYHTPVZXGOIIW-UHFFFAOYSA-N 2 1 262.441 3.805 10 0 CHAEMP CC(C)(C)CC[N@@H+](CCC[NH3+])C1CCCCCC1 ZINC000049254369 518647332 /nfs/dbraw/zinc/64/73/32/518647332.db2.gz DIHDTIKMJYTCAT-UHFFFAOYSA-N 2 1 254.462 3.796 10 0 CHAEMP CC(C)C[NH2+]C[C@H]1CC[N@H+](C2CCCCCCC2)C1 ZINC000053011163 519746023 /nfs/dbraw/zinc/74/60/23/519746023.db2.gz UODFFQUAAQECSG-MRXNPFEDSA-N 2 1 266.473 3.667 10 0 CHAEMP CCC[NH2+]C1CC[NH+]([C@H](CC)c2cccs2)CC1 ZINC000049530933 519906933 /nfs/dbraw/zinc/90/69/33/519906933.db2.gz ZHXBCIMKHNGCLU-CQSZACIVSA-N 2 1 266.454 3.663 10 0 CHAEMP CCC[NH2+]CCC[C@H](C)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000052482343 519913491 /nfs/dbraw/zinc/91/34/91/519913491.db2.gz ZXMIIILIPKGVIO-YESZJQIVSA-N 2 1 266.473 3.667 10 0 CHAEMP CC[NH2+]Cc1ccc(C[N@@H+](CC(C)C)C(C)C)cc1 ZINC000052572645 519995490 /nfs/dbraw/zinc/99/54/90/519995490.db2.gz VSWDKGMEOPEIGV-UHFFFAOYSA-N 2 1 262.441 3.663 10 0 CHAEMP CCC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1C[N@@H+](C)C1CC1 ZINC000054559741 520026502 /nfs/dbraw/zinc/02/65/02/520026502.db2.gz ASLVHXXBCZJJSI-ZMSDIMECSA-N 2 1 266.473 3.521 10 0 CHAEMP CCCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](CCC)C1 ZINC000050887322 521153115 /nfs/dbraw/zinc/15/31/15/521153115.db2.gz REZHNJXDHFTEIE-HRCADAONSA-N 2 1 254.462 3.665 10 0 CHAEMP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[N@@H+](C)C1)c1cccs1 ZINC000049529332 522735671 /nfs/dbraw/zinc/73/56/71/522735671.db2.gz RRQMZSLJLZZCED-MCIONIFRSA-N 2 1 266.454 3.519 10 0 CHAEMP Cc1ccc(C[N@H+](C)[C@H](C)CCC[NH2+]C(C)C)cc1 ZINC000052424703 524402160 /nfs/dbraw/zinc/40/21/60/524402160.db2.gz UXHJTLFFLNBPBU-MRXNPFEDSA-N 2 1 262.441 3.594 10 0 CHAEMP [NH3+]CC1([NH+](Cc2ccccc2)Cc2ccccc2)CCCC1 ZINC000095831197 185029374 /nfs/dbraw/zinc/02/93/74/185029374.db2.gz NTBGQNFPZYOJHR-UHFFFAOYSA-N 2 1 294.442 3.960 10 0 CHAEMP CCC(CC)[C@H](C[NH2+][C@H]1CCCC[C@@H]1C)[NH+](C)C ZINC000021011865 171287474 /nfs/dbraw/zinc/28/74/74/171287474.db2.gz FBXLRJIYMURHDK-BPUTZDHNSA-N 2 1 254.462 3.521 10 0 CHAEMP CCCCC[C@H](C)[NH2+]C[C@H](C(CC)CC)[NH+](C)C ZINC000021040134 171293461 /nfs/dbraw/zinc/29/34/61/171293461.db2.gz ILBOEMIUPDTXDR-GOEBONIOSA-N 2 1 256.478 3.911 10 0 CHAEMP CC(C)CC[C@@H](C)[NH2+]C[C@H](C(C)C)[NH+]1CCCC1 ZINC000021514875 171312082 /nfs/dbraw/zinc/31/20/82/171312082.db2.gz IEIOMESVALJAIP-HZPDHXFCSA-N 2 1 254.462 3.521 10 0 CHAEMP CC(C)=CC[NH+]1CCC([NH2+][C@H](C)CCC(C)C)CC1 ZINC000037218640 173036533 /nfs/dbraw/zinc/03/65/33/173036533.db2.gz PSVBZVAJTALZQM-MRXNPFEDSA-N 2 1 266.473 3.831 10 0 CHAEMP CC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+]CCC2=CCCCC2)C1 ZINC000037219872 173037602 /nfs/dbraw/zinc/03/76/02/173037602.db2.gz QYBZNCCVFKWWRY-NVXWUHKLSA-N 2 1 264.457 3.587 10 0 CHAEMP CC[N@H+]1CCC[C@H]([C@@H](C)[NH2+]CCC2=CCCCC2)C1 ZINC000037219870 173037969 /nfs/dbraw/zinc/03/79/69/173037969.db2.gz QYBZNCCVFKWWRY-WBVHZDCISA-N 2 1 264.457 3.587 10 0 CHAEMP C[C@@H](c1ccccc1)[N@H+](CC[NH3+])CC1CCCCC1 ZINC000076671511 177053867 /nfs/dbraw/zinc/05/38/67/177053867.db2.gz ZSSYZPQOTOOIPI-HNNXBMFYSA-N 2 1 260.425 3.589 10 0 CHAEMP C[C@@H](c1ccccc1)[N@@H+](CC[NH3+])CC1CCCCC1 ZINC000076671511 177053868 /nfs/dbraw/zinc/05/38/68/177053868.db2.gz ZSSYZPQOTOOIPI-HNNXBMFYSA-N 2 1 260.425 3.589 10 0 CHAEMP CCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180104531 260093570 /nfs/dbraw/zinc/09/35/70/260093570.db2.gz YPADHFXOSZESHC-YQQQUEKLSA-N 2 1 286.463 3.962 10 0 CHAEMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000221790271 262296911 /nfs/dbraw/zinc/29/69/11/262296911.db2.gz ULSJPSOYJNHICZ-CABCVRRESA-N 2 1 254.462 3.521 10 0 CHAEMP CC(C)(C)c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)s1 ZINC000261572983 327384385 /nfs/dbraw/zinc/38/43/85/327384385.db2.gz ALQQNBOFCPMDKW-CYBMUJFWSA-N 2 1 280.481 3.605 10 0 CHAEMP CC(C)(C)c1ccc(C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)s1 ZINC000261572983 327384387 /nfs/dbraw/zinc/38/43/87/327384387.db2.gz ALQQNBOFCPMDKW-CYBMUJFWSA-N 2 1 280.481 3.605 10 0 CHAEMP CCc1nccn1[C@H]1CCC[N@@H+](Cc2ccccc2C)C1 ZINC000171523017 329076945 /nfs/dbraw/zinc/07/69/45/329076945.db2.gz VLPWZVUGEHQTOT-KRWDZBQOSA-N 2 1 283.419 3.591 10 0 CHAEMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000223399579 333207554 /nfs/dbraw/zinc/20/75/54/333207554.db2.gz HUDLQVBNAPXDHT-QLFBSQMISA-N 2 1 254.462 3.521 10 0 CHAEMP CC(C)c1ccc(C[N@H+]2CCCC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000227024360 333273784 /nfs/dbraw/zinc/27/37/84/333273784.db2.gz WTRXIRWWFMDUKU-WMLDXEAASA-N 2 1 260.425 3.512 10 0 CHAEMP CC(C)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000227024360 333273785 /nfs/dbraw/zinc/27/37/85/333273785.db2.gz WTRXIRWWFMDUKU-WMLDXEAASA-N 2 1 260.425 3.512 10 0 CHAEMP CC(C)[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccccc1Cl ZINC000091335724 334376440 /nfs/dbraw/zinc/37/64/40/334376440.db2.gz PYKXMUYGXVAXJC-RHSMWYFYSA-N 2 1 294.870 3.969 10 0 CHAEMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252840200 334396334 /nfs/dbraw/zinc/39/63/34/334396334.db2.gz BLUQLRQXWHBRED-QSPRXWTASA-N 2 1 292.854 3.850 10 0 CHAEMP CC(C)[NH2+]CCC[C@@H](C)[N@@H+](Cc1ccsc1)C1CC1 ZINC000052542086 519720929 /nfs/dbraw/zinc/72/09/29/519720929.db2.gz NBVVUXRDNQUYRT-CQSZACIVSA-N 2 1 280.481 3.879 10 0 CHAEMP CC[N@@H+](Cc1cc(C[NH2+]C(C)(C)C)oc1C)C(C)C ZINC000052447052 521290197 /nfs/dbraw/zinc/29/01/97/521290197.db2.gz NINIIMKCZXRMHR-UHFFFAOYSA-N 2 1 266.429 3.706 10 0 CHAEMP CC[C@H](C1CCCCC1)[N@@H+]1CC[C@@H](C)[NH2+][C@@H](C)CC1 ZINC000052342495 522086594 /nfs/dbraw/zinc/08/65/94/522086594.db2.gz BWNWRNAXCOWPNM-HLLBOEOZSA-N 2 1 266.473 3.808 10 0 CHAEMP C[NH2+]Cc1ccccc1C[N@@H+](C)[C@H](C)c1cccs1 ZINC000052506982 522133159 /nfs/dbraw/zinc/13/31/59/522133159.db2.gz DGJODFVJDDYANF-CYBMUJFWSA-N 2 1 274.433 3.661 10 0 CHAEMP CC[C@H](C[NH2+]C(C)(C)C)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000052482229 522190412 /nfs/dbraw/zinc/19/04/12/522190412.db2.gz FYCPXOHQCZPMDW-ARFHVFGLSA-N 2 1 266.473 3.665 10 0 CHAEMP Cc1ccc(C[N@H+](C)[C@@H](C)CCC[NH2+]C(C)C)cc1 ZINC000052424701 524399185 /nfs/dbraw/zinc/39/91/85/524399185.db2.gz UXHJTLFFLNBPBU-INIZCTEOSA-N 2 1 262.441 3.594 10 0 CHAEMP CC[NH+](CC)CCC[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000082504842 178068841 /nfs/dbraw/zinc/06/88/41/178068841.db2.gz OQOAWKNWWZVKJV-INIZCTEOSA-N 2 1 290.451 3.610 10 0 CHAEMP CC(C)CC[C@H](C)[NH2+]C[C@H](C(C)C)[NH+]1CCCC1 ZINC000021514877 171312058 /nfs/dbraw/zinc/31/20/58/171312058.db2.gz IEIOMESVALJAIP-JKSUJKDBSA-N 2 1 254.462 3.521 10 0 CHAEMP CC[C@H](C)C[C@](CC)(C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000021814386 171331620 /nfs/dbraw/zinc/33/16/20/171331620.db2.gz HSSWDHIDKXJORU-MAUKXSAKSA-N 2 1 274.452 3.588 10 0 CHAEMP CCC1CCC(C[NH3+])([N@@H+](C)Cc2ccc(C)cc2)CC1 ZINC000021820055 171334086 /nfs/dbraw/zinc/33/40/86/171334086.db2.gz NOSNJUYEBHFTGR-UHFFFAOYSA-N 2 1 274.452 3.725 10 0 CHAEMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3c(Cl)cccc3Cl)C[C@H]21 ZINC000228471915 262338862 /nfs/dbraw/zinc/33/88/62/262338862.db2.gz FNWJDQXTFDMRIB-UEKVPHQBSA-N 2 1 299.245 3.553 10 0 CHAEMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3c(Cl)cccc3Cl)C[C@H]21 ZINC000228471915 262338863 /nfs/dbraw/zinc/33/88/63/262338863.db2.gz FNWJDQXTFDMRIB-UEKVPHQBSA-N 2 1 299.245 3.553 10 0 CHAEMP C[C@@H](NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1c(F)cccc1F ZINC000088163950 327016634 /nfs/dbraw/zinc/01/66/34/327016634.db2.gz DTKVXJLJAXXWES-RLAWYHOSSA-N 2 1 294.389 3.631 10 0 CHAEMP Cc1cc(C(C)(C)C)cc(C)c1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000228073834 333294345 /nfs/dbraw/zinc/29/43/45/333294345.db2.gz OCDRWSUSDOTSGE-HZPDHXFCSA-N 2 1 288.479 3.770 10 0 CHAEMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3Cl)C[C@@H]21 ZINC000230045093 333312559 /nfs/dbraw/zinc/31/25/59/333312559.db2.gz AZKJYZSBSYDKBM-RIEGTJTDSA-N 2 1 299.245 3.553 10 0 CHAEMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3Cl)C[C@@H]21 ZINC000230045093 333312560 /nfs/dbraw/zinc/31/25/60/333312560.db2.gz AZKJYZSBSYDKBM-RIEGTJTDSA-N 2 1 299.245 3.553 10 0 CHAEMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC1CCC(C(C)(C)C)CC1 ZINC000135424352 334129288 /nfs/dbraw/zinc/12/92/88/334129288.db2.gz VTXFSNGSRWRDCW-UIDBIOKJSA-N 2 1 266.473 3.508 10 0 CHAEMP CC(C)(C)[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)CC1 ZINC000079344974 334152001 /nfs/dbraw/zinc/15/20/01/334152001.db2.gz XFJXOLUOIKRYEB-MRXNPFEDSA-N 2 1 266.473 3.524 10 0 CHAEMP CC[C@H]1CC[C@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)C1 ZINC000080426614 334171287 /nfs/dbraw/zinc/17/12/87/334171287.db2.gz URIXOZXEBNSAFL-WMZOPIPTSA-N 2 1 274.452 3.677 10 0 CHAEMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)C1 ZINC000250699490 334348920 /nfs/dbraw/zinc/34/89/20/334348920.db2.gz NMMNPHPFCPUCTR-PMPSAXMXSA-N 2 1 266.473 3.523 10 0 CHAEMP CCC(CC)[N@@H+](C)Cc1c2ccccc2oc1C[NH3+] ZINC000052478067 521541632 /nfs/dbraw/zinc/54/16/32/521541632.db2.gz IOELRGDCVDVXQB-UHFFFAOYSA-N 2 1 260.381 3.512 10 0 CHAEMP CC(C)C[NH2+]CCC[C@H](C)[N@@H+](C)Cc1ccsc1 ZINC000052457338 519743674 /nfs/dbraw/zinc/74/36/74/519743674.db2.gz WBGGMOQQSVPYCV-AWEZNQCLSA-N 2 1 268.470 3.594 10 0 CHAEMP CC(C)C[NH2+]C[C@H](C)C[N@@H+](C)C1CCCCCC1 ZINC000052482014 519745880 /nfs/dbraw/zinc/74/58/80/519745880.db2.gz JLKYMULUXAGTQA-HNNXBMFYSA-N 2 1 254.462 3.523 10 0 CHAEMP CCC[NH2+]Cc1ccc(C[N@@H+](C)[C@@H](C)CCC)cc1 ZINC000052480743 519946768 /nfs/dbraw/zinc/94/67/68/519946768.db2.gz UCBKCQCGYWTBHV-HNNXBMFYSA-N 2 1 262.441 3.807 10 0 CHAEMP CC[C@H]([NH3+])[C@H](c1cccs1)[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC000050563532 522347000 /nfs/dbraw/zinc/34/70/00/522347000.db2.gz FCOKUFQWJLOUPJ-PWNZVWSESA-N 2 1 266.454 3.647 10 0 CHAEMP CC[C@H]([NH3+])[C@H](c1cccs1)[N@H+]1CCC[C@H](C)[C@@H]1C ZINC000050563532 522347010 /nfs/dbraw/zinc/34/70/10/522347010.db2.gz FCOKUFQWJLOUPJ-PWNZVWSESA-N 2 1 266.454 3.647 10 0 CHAEMP C[N@@H+](CCC[C@@H]1CCCC[NH2+]1)Cc1ccccc1Cl ZINC000050953072 522786524 /nfs/dbraw/zinc/78/65/24/522786524.db2.gz CINQISDKPAXABB-HNNXBMFYSA-N 2 1 280.843 3.694 10 0 CHAEMP CCC[NH2+][C@H]1CCCC[C@@H]1[NH+]1CCC(CCC)CC1 ZINC000103993434 185876732 /nfs/dbraw/zinc/87/67/32/185876732.db2.gz FAXOGXKVJCGWBS-IRXDYDNUSA-N 2 1 266.473 3.809 10 0 CHAEMP Cc1ccc([C@H]([NH3+])[C@H](C)n2cc[nH+]c2C(C)C)cc1 ZINC000020262071 171120192 /nfs/dbraw/zinc/12/01/92/171120192.db2.gz WINQOOYGESEFIP-DZGCQCFKSA-N 2 1 257.381 3.576 10 0 CHAEMP CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H](C(C)C)[NH+]1CCCC1 ZINC000020550307 171246967 /nfs/dbraw/zinc/24/69/67/171246967.db2.gz GDCQZOIIUMBYIG-ULQDDVLXSA-N 2 1 268.489 3.911 10 0 CHAEMP CCCCC[C@H](C)[NH2+]C[C@H](C(C)C)[NH+]1CCCC1 ZINC000020551123 171247192 /nfs/dbraw/zinc/24/71/92/171247192.db2.gz HIQRISUDZAVPTN-JKSUJKDBSA-N 2 1 254.462 3.665 10 0 CHAEMP C[NH+](C)C1(C[NH2+]C2CCCCCCC2)CCCCC1 ZINC000021518563 171314428 /nfs/dbraw/zinc/31/44/28/171314428.db2.gz GQLNQWMHFAZGQQ-UHFFFAOYSA-N 2 1 266.473 3.953 10 0 CHAEMP C[NH+](C)C1(C[NH2+]C2C3CC4CC(C3)CC2C4)CCCCC1 ZINC000035162005 172021990 /nfs/dbraw/zinc/02/19/90/172021990.db2.gz BPBDHQPJRGTXTM-UHFFFAOYSA-N 2 1 290.495 3.665 10 0 CHAEMP CC[C@H](C)C[C@@](CC)(C[NH3+])[N@H+](C)Cc1cccs1 ZINC000035717223 172370894 /nfs/dbraw/zinc/37/08/94/172370894.db2.gz KNLUIWVRZCWCRN-ZFWWWQNUSA-N 2 1 268.470 3.724 10 0 CHAEMP CC[C@H](C)C[C@@](CC)(C[NH3+])[N@@H+](C)Cc1cccs1 ZINC000035717223 172370895 /nfs/dbraw/zinc/37/08/95/172370895.db2.gz KNLUIWVRZCWCRN-ZFWWWQNUSA-N 2 1 268.470 3.724 10 0 CHAEMP CCC[N@H+]1CCC[C@H]([C@@H](C)[NH2+]CCCC(C)C)C1 ZINC000038093579 174107398 /nfs/dbraw/zinc/10/73/98/174107398.db2.gz SPOUNXKJVPBDDH-CVEARBPZSA-N 2 1 254.462 3.523 10 0 CHAEMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3)C[C@H]21 ZINC000228534251 262340409 /nfs/dbraw/zinc/34/04/09/262340409.db2.gz MHKFWAOGSZMWSL-KCPJHIHWSA-N 2 1 299.245 3.553 10 0 CHAEMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)cc(Cl)c3)C[C@H]21 ZINC000228534251 262340411 /nfs/dbraw/zinc/34/04/11/262340411.db2.gz MHKFWAOGSZMWSL-KCPJHIHWSA-N 2 1 299.245 3.553 10 0 CHAEMP CC(C)(C)c1ccc(C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)s1 ZINC000261572984 327384509 /nfs/dbraw/zinc/38/45/09/327384509.db2.gz ALQQNBOFCPMDKW-ZDUSSCGKSA-N 2 1 280.481 3.605 10 0 CHAEMP CC(C)(C)c1ccc(C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)s1 ZINC000261572984 327384510 /nfs/dbraw/zinc/38/45/10/327384510.db2.gz ALQQNBOFCPMDKW-ZDUSSCGKSA-N 2 1 280.481 3.605 10 0 CHAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC[C@@H](C)c1ccccc1 ZINC000194042894 329065204 /nfs/dbraw/zinc/06/52/04/329065204.db2.gz GTCSNTXQXTUFSZ-VQIMIIECSA-N 2 1 297.446 3.850 10 0 CHAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC[C@@H](C)c1ccccc1 ZINC000194042894 329065206 /nfs/dbraw/zinc/06/52/06/329065206.db2.gz GTCSNTXQXTUFSZ-VQIMIIECSA-N 2 1 297.446 3.850 10 0 CHAEMP Cc1cccc([C@@H](C)[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC000075639132 329874832 /nfs/dbraw/zinc/87/48/32/329874832.db2.gz ZWIBWLNYJZCJFF-MRXNPFEDSA-N 2 1 272.436 3.616 10 0 CHAEMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC2CCC(C(C)(C)C)CC2)C1 ZINC000135881324 334140556 /nfs/dbraw/zinc/14/05/56/334140556.db2.gz MHHJICGSBLADCB-JWMHWRSXSA-N 2 1 266.473 3.508 10 0 CHAEMP CC[C@H]1CC[C@@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)C1 ZINC000080426619 334171329 /nfs/dbraw/zinc/17/13/29/334171329.db2.gz URIXOZXEBNSAFL-FUHWJXTLSA-N 2 1 274.452 3.677 10 0 CHAEMP Cc1cccc([C@H](C)[N@H+]2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000247489803 334282767 /nfs/dbraw/zinc/28/27/67/334282767.db2.gz KWDFXHRGSIQMFP-IRXDYDNUSA-N 2 1 295.430 3.885 10 0 CHAEMP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)c2ccc(C(C)(C)C)cc2)C1 ZINC000251494712 334362247 /nfs/dbraw/zinc/36/22/47/334362247.db2.gz JOOQYDVCIVPLTJ-CVEARBPZSA-N 2 1 288.479 3.977 10 0 CHAEMP CC1(C)CC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000381894809 336076249 /nfs/dbraw/zinc/07/62/49/336076249.db2.gz FTETWKFSRSQAJN-OKYOBFRVSA-N 2 1 298.474 3.675 10 0 CHAEMP CCC[N@@H+](Cc1occc1C[NH2+]C(C)(C)C)C1CC1 ZINC000052448934 521696384 /nfs/dbraw/zinc/69/63/84/521696384.db2.gz FKMKMKJQHUZSFL-UHFFFAOYSA-N 2 1 264.413 3.542 10 0 CHAEMP CC(C)(C)CC(C)(C)[NH2+]C[C@@](C)([NH3+])c1ccccc1 ZINC000052883611 518629789 /nfs/dbraw/zinc/62/97/89/518629789.db2.gz TVQQKZNYQQTNFW-QGZVFWFLSA-N 2 1 262.441 3.665 10 0 CHAEMP CC(C)C[NH2+]CC[C@H](C)[N@@H+]1CCc2sccc2[C@@H]1C ZINC000052505658 519744575 /nfs/dbraw/zinc/74/45/75/519744575.db2.gz LBGJVHKEINAVRM-KBPBESRZSA-N 2 1 280.481 3.691 10 0 CHAEMP CC(C)C[NH2+]CC[C@H](C)[N@H+]1CCc2sccc2[C@@H]1C ZINC000052505658 519744576 /nfs/dbraw/zinc/74/45/76/519744576.db2.gz LBGJVHKEINAVRM-KBPBESRZSA-N 2 1 280.481 3.691 10 0 CHAEMP CC(C)[C@H](C[NH2+]C1CC1)[N@H+](Cc1cccs1)C(C)C ZINC000052544907 519815776 /nfs/dbraw/zinc/81/57/76/519815776.db2.gz PGVSEDJMQOBWLQ-INIZCTEOSA-N 2 1 280.481 3.735 10 0 CHAEMP CC(C)[C@H](C[NH2+]C1CC1)[N@@H+](Cc1cccs1)C(C)C ZINC000052544907 519815777 /nfs/dbraw/zinc/81/57/77/519815777.db2.gz PGVSEDJMQOBWLQ-INIZCTEOSA-N 2 1 280.481 3.735 10 0 CHAEMP CC[C@H]([NH3+])[C@@H](c1sccc1C)[NH+]1CCC(C)(C)CC1 ZINC000061818481 522341380 /nfs/dbraw/zinc/34/13/80/522341380.db2.gz VSDBSRNBNWPCMY-KBPBESRZSA-N 2 1 280.481 3.957 10 0 CHAEMP CC[C@@H]1CCC[N@H+]([C@@H](C)CCC[NH2+]CC(C)C)C1 ZINC000052479829 523253332 /nfs/dbraw/zinc/25/33/32/523253332.db2.gz AXAYOEQOWRHIFU-JKSUJKDBSA-N 2 1 254.462 3.523 10 0 CHAEMP Cc1oc(C[N@H+](C)CC(C)C)cc1C[NH2+]C(C)(C)C ZINC000052452582 526769853 /nfs/dbraw/zinc/76/98/53/526769853.db2.gz BADXTLSXLZEPTF-UHFFFAOYSA-N 2 1 266.429 3.564 10 0 CHAEMP CCC[N@H+]1CC[C@H]([NH3+])C12CCC(C(C)(C)CC)CC2 ZINC000712032408 567836760 /nfs/dbraw/zinc/83/67/60/567836760.db2.gz OXVCIPZSQDDLGC-CKDBGZEDSA-N 2 1 266.473 3.795 10 0 CHAEMP CC[C@H]([C@@H]([NH3+])c1ccccc1)n1cc[nH+]c1C(C)C ZINC000020261737 171118698 /nfs/dbraw/zinc/11/86/98/171118698.db2.gz RQVDLAMZPFDPNM-CABCVRRESA-N 2 1 257.381 3.658 10 0 CHAEMP CC(C)[NH+](CC[NH2+][C@H]1C[C@H](C)CC(C)(C)C1)C(C)C ZINC000021788813 171323381 /nfs/dbraw/zinc/32/33/81/171323381.db2.gz GTUPWGGTHRMTGK-HOTGVXAUSA-N 2 1 268.489 3.910 10 0 CHAEMP CCC(CC)[C@H](C[NH2+][C@H](C)CCC(C)C)[NH+](C)C ZINC000021801447 171326258 /nfs/dbraw/zinc/32/62/58/171326258.db2.gz NLTGRHLJYDHWQM-ZBFHGGJFSA-N 2 1 256.478 3.767 10 0 CHAEMP CC[NH+]1CCC([NH2+][C@@H](c2cccs2)C(C)C)CC1 ZINC000035017134 171934248 /nfs/dbraw/zinc/93/42/48/171934248.db2.gz HCIIXHYYHLCFNL-OAHLLOKOSA-N 2 1 266.454 3.519 10 0 CHAEMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cccc2ccccc21 ZINC000128458503 260375539 /nfs/dbraw/zinc/37/55/39/260375539.db2.gz ZZGQXSLMUDPIQN-SFHVURJKSA-N 2 1 270.420 3.645 10 0 CHAEMP [NH3+]CCC[C@@H](Nc1cc[nH+]cc1Cl)c1ccccc1 ZINC000312043623 262346625 /nfs/dbraw/zinc/34/66/25/262346625.db2.gz XSTKHDDWMMLUGL-CQSZACIVSA-N 2 1 275.783 3.627 10 0 CHAEMP Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCC[N@H+]2C)cc1F ZINC000094955364 265278737 /nfs/dbraw/zinc/27/87/37/265278737.db2.gz JVRMJRNIYQRYIZ-ZBFHGGJFSA-N 2 1 278.415 3.659 10 0 CHAEMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(Cl)ccc3Cl)C[C@@H]21 ZINC000230045102 333312474 /nfs/dbraw/zinc/31/24/74/333312474.db2.gz AZKJYZSBSYDKBM-VZJVUDMVSA-N 2 1 299.245 3.553 10 0 CHAEMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(Cl)ccc3Cl)C[C@@H]21 ZINC000230045102 333312475 /nfs/dbraw/zinc/31/24/75/333312475.db2.gz AZKJYZSBSYDKBM-VZJVUDMVSA-N 2 1 299.245 3.553 10 0 CHAEMP C[C@@H]1C[N@@H+](CC2CCC(C(C)(C)C)CC2)CC[C@@H]1[NH3+] ZINC000135296217 334124273 /nfs/dbraw/zinc/12/42/73/334124273.db2.gz GADBGPVIYYMZDA-LMPOIIKSSA-N 2 1 266.473 3.508 10 0 CHAEMP CC(C)(C)[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)CC1 ZINC000079344978 334152035 /nfs/dbraw/zinc/15/20/35/334152035.db2.gz XFJXOLUOIKRYEB-INIZCTEOSA-N 2 1 266.473 3.524 10 0 CHAEMP C[C@@H]1C[C@H]([NH2+][C@H]2c3ccccc3CCC2(C)C)CC[N@@H+]1C ZINC000245536851 334201412 /nfs/dbraw/zinc/20/14/12/334201412.db2.gz ZMMSNTYLYLBVSJ-KYJSFNMBSA-N 2 1 286.463 3.772 10 0 CHAEMP C[C@@H]1C[C@H]([NH2+][C@H]2c3ccccc3CCC2(C)C)CC[N@H+]1C ZINC000245536851 334201414 /nfs/dbraw/zinc/20/14/14/334201414.db2.gz ZMMSNTYLYLBVSJ-KYJSFNMBSA-N 2 1 286.463 3.772 10 0 CHAEMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(C)c1 ZINC000251142779 334357065 /nfs/dbraw/zinc/35/70/65/334357065.db2.gz DLTXSKYDPJPSAN-ULQDDVLXSA-N 2 1 272.436 3.581 10 0 CHAEMP CC(C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000052346422 519722337 /nfs/dbraw/zinc/72/23/37/519722337.db2.gz LDBGTUXUTUPHJO-CYBMUJFWSA-N 2 1 268.832 3.548 10 0 CHAEMP CC(C)[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCC1 ZINC000052445017 519727737 /nfs/dbraw/zinc/72/77/37/519727737.db2.gz XOVQIWROWHHHDP-UHFFFAOYSA-N 2 1 260.425 3.559 10 0 CHAEMP CC(C)(C)[NH2+]CCCC[N@@H+](Cc1ccsc1)C1CC1 ZINC000052541919 518754673 /nfs/dbraw/zinc/75/46/73/518754673.db2.gz XONYVXRHFRTGBZ-UHFFFAOYSA-N 2 1 280.481 3.881 10 0 CHAEMP CC(C)C[NH2+]CC[C@H](C)[N@@H+](C)C1CCC(C)CC1 ZINC000052345495 519744167 /nfs/dbraw/zinc/74/41/67/519744167.db2.gz MPXNBRKEAHVEEU-PCKAHOCUSA-N 2 1 254.462 3.521 10 0 CHAEMP CC(C)C[NH2+]C[C@@H](C)C[N@@H+](C)[C@@H](C)c1cccs1 ZINC000052506530 519744391 /nfs/dbraw/zinc/74/43/91/519744391.db2.gz HOVZQTZRJFZGDP-KGLIPLIRSA-N 2 1 268.470 3.623 10 0 CHAEMP CC(C)C[NH2+]C[C@@H](C)C[N@H+](C)Cc1ccc(Cl)s1 ZINC000052508933 519744514 /nfs/dbraw/zinc/74/45/14/519744514.db2.gz KLJQUAZMANVEHP-GFCCVEGCSA-N 2 1 288.888 3.715 10 0 CHAEMP CC(C)C[NH2+]C[C@@H](C)C[N@@H+](C)Cc1ccc(Cl)s1 ZINC000052508933 519744516 /nfs/dbraw/zinc/74/45/16/519744516.db2.gz KLJQUAZMANVEHP-GFCCVEGCSA-N 2 1 288.888 3.715 10 0 CHAEMP CCC[NH2+]C1CC[NH+]([C@@H](C)c2ccc(C)s2)CC1 ZINC000049183937 519906443 /nfs/dbraw/zinc/90/64/43/519906443.db2.gz QBJXIARPJUPPMZ-ZDUSSCGKSA-N 2 1 266.454 3.582 10 0 CHAEMP CC[NH2+]CCC[C@H](C)[N@@H+](Cc1cccs1)C(C)C ZINC000052545009 519919755 /nfs/dbraw/zinc/91/97/55/519919755.db2.gz BRFSTVDFBMBLNN-AWEZNQCLSA-N 2 1 268.470 3.737 10 0 CHAEMP CCC[NH2+]Cc1ccoc1C[N@@H+](C)[C@@H](C)CC(C)C ZINC000052571834 519960356 /nfs/dbraw/zinc/96/03/56/519960356.db2.gz MRNAIHJWFHJWJG-AWEZNQCLSA-N 2 1 266.429 3.646 10 0 CHAEMP CC[N@@H+]([C@H](C)CC[NH2+]CC(C)C)C1CCCCC1 ZINC000052420178 521476715 /nfs/dbraw/zinc/47/67/15/521476715.db2.gz VJDCPONJDGJGCK-OAHLLOKOSA-N 2 1 254.462 3.665 10 0 CHAEMP CCC[N@@H+](CC)Cc1cccc(C[NH2+]C(C)(C)C)c1 ZINC000052448222 521615249 /nfs/dbraw/zinc/61/52/49/521615249.db2.gz SVVDMDGNLYQPLA-UHFFFAOYSA-N 2 1 262.441 3.807 10 0 CHAEMP CC[C@@H]([NH3+])[C@H](c1sccc1C)[NH+]1CCC(C)(C)CC1 ZINC000061818484 522656198 /nfs/dbraw/zinc/65/61/98/522656198.db2.gz VSDBSRNBNWPCMY-ZIAGYGMSSA-N 2 1 280.481 3.957 10 0 CHAEMP C[N@@H+]([C@H](CC[NH3+])c1ccccc1)C1CCCCCC1 ZINC000055016171 523626638 /nfs/dbraw/zinc/62/66/38/523626638.db2.gz IYMRQXJOINBTCH-QGZVFWFLSA-N 2 1 260.425 3.731 10 0 CHAEMP CC[C@@]1(C[N@@H+](Cc2cccs2)C(C)C)CCC[NH2+]C1 ZINC000062862598 523734567 /nfs/dbraw/zinc/73/45/67/523734567.db2.gz VMOGWXRTARSAAQ-MRXNPFEDSA-N 2 1 280.481 3.738 10 0 CHAEMP C[C@@H](CCC[NH2+]C1CC1)[N@@H+](C)[C@@H](C)c1cccs1 ZINC000052506851 524458315 /nfs/dbraw/zinc/45/83/15/524458315.db2.gz BDTNZQWPTBUJON-STQMWFEESA-N 2 1 266.454 3.662 10 0 CHAEMP C[C@@H](CC[NH2+]C(C)(C)C)[N@@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000052514255 524496455 /nfs/dbraw/zinc/49/64/55/524496455.db2.gz NMODFROKYYEWTL-ILXRZTDVSA-N 2 1 254.462 3.664 10 0 CHAEMP Cc1ccc(N2CCC([NH2+][C@H](C)c3ccccc3)CC2)[nH+]c1 ZINC000163468219 524943703 /nfs/dbraw/zinc/94/37/03/524943703.db2.gz BZRVTXFFFXOWSH-MRXNPFEDSA-N 2 1 295.430 3.710 10 0 CHAEMP Cc1ccc(N2CCC([NH2+][C@@H](C)c3ccccc3)CC2)[nH+]c1 ZINC000163468094 524943810 /nfs/dbraw/zinc/94/38/10/524943810.db2.gz BZRVTXFFFXOWSH-INIZCTEOSA-N 2 1 295.430 3.710 10 0 CHAEMP C[C@H]1CCCC[N@H+]1Cc1c2ccccc2sc1C[NH3+] ZINC000052378871 526251835 /nfs/dbraw/zinc/25/18/35/526251835.db2.gz BXRHYMKSLOYHNF-LBPRGKRZSA-N 2 1 274.433 3.734 10 0 CHAEMP CC[C@H]([C@H]([NH3+])c1ccccc1)n1cc[nH+]c1C(C)C ZINC000020261743 171119171 /nfs/dbraw/zinc/11/91/71/171119171.db2.gz RQVDLAMZPFDPNM-HUUCEWRRSA-N 2 1 257.381 3.658 10 0 CHAEMP CCCCC[C@H](C)[NH2+]C[C@@H](C(C)C)[NH+]1CCCC1 ZINC000020551119 171247131 /nfs/dbraw/zinc/24/71/31/171247131.db2.gz HIQRISUDZAVPTN-HOTGVXAUSA-N 2 1 254.462 3.665 10 0 CHAEMP CC(C)[N@@H+](C)Cc1ccc(-c2ccccc2C[NH3+])cc1 ZINC000022172879 171368958 /nfs/dbraw/zinc/36/89/58/171368958.db2.gz SKMYCKXAUVWIIQ-UHFFFAOYSA-N 2 1 268.404 3.653 10 0 CHAEMP CC[C@@H](C)C[C@@](CC)(C[NH3+])[N@H+](C)Cc1cccs1 ZINC000035717221 172370907 /nfs/dbraw/zinc/37/09/07/172370907.db2.gz KNLUIWVRZCWCRN-HIFRSBDPSA-N 2 1 268.470 3.724 10 0 CHAEMP CC[C@@H](C)C[C@@](CC)(C[NH3+])[N@@H+](C)Cc1cccs1 ZINC000035717221 172370908 /nfs/dbraw/zinc/37/09/08/172370908.db2.gz KNLUIWVRZCWCRN-HIFRSBDPSA-N 2 1 268.470 3.724 10 0 CHAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCCc1ccccc1C ZINC000175911877 261252582 /nfs/dbraw/zinc/25/25/82/261252582.db2.gz DWXNZDLDWATYDZ-IBGZPJMESA-N 2 1 297.446 3.597 10 0 CHAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCCc1ccccc1C ZINC000175911877 261252584 /nfs/dbraw/zinc/25/25/84/261252584.db2.gz DWXNZDLDWATYDZ-IBGZPJMESA-N 2 1 297.446 3.597 10 0 CHAEMP CCc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000049856239 328380313 /nfs/dbraw/zinc/38/03/13/328380313.db2.gz LQWZTHQSZSBDBZ-QAPCUYQASA-N 2 1 274.452 3.774 10 0 CHAEMP Cc1cccc(N2CCC([NH2+][C@H]3CCC34CCCC4)CC2)[nH+]1 ZINC000189126838 329378169 /nfs/dbraw/zinc/37/81/69/329378169.db2.gz GQVCNLZQEICKGM-KRWDZBQOSA-N 2 1 299.462 3.671 10 0 CHAEMP Cc1cccc(N2CCC([NH2+][C@@H](C)C3CCCC3)CC2)[nH+]1 ZINC000128223059 329606231 /nfs/dbraw/zinc/60/62/31/329606231.db2.gz RXJXMGQPXGOIMV-HNNXBMFYSA-N 2 1 287.451 3.527 10 0 CHAEMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cc(F)ccc32)[C@H](C)C1 ZINC000090964086 330397415 /nfs/dbraw/zinc/39/74/15/330397415.db2.gz SZLJOOBDRCUGCN-JEBQAFNWSA-N 2 1 290.426 3.523 10 0 CHAEMP CC(C)(C)c1ccc(C[N@H+]2CCCC[C@H]2CC[NH3+])s1 ZINC000166174395 331306668 /nfs/dbraw/zinc/30/66/68/331306668.db2.gz MSADWQSDGLRFJH-ZDUSSCGKSA-N 2 1 280.481 3.749 10 0 CHAEMP C[NH2+]C[C@@H]1CCC[N@@H+](CC2CCC(C(C)(C)C)CC2)C1 ZINC000135294372 334123966 /nfs/dbraw/zinc/12/39/66/334123966.db2.gz XJZAMMWIYDOBPS-CGZBRXJRSA-N 2 1 280.500 3.770 10 0 CHAEMP CC[NH2+]Cc1cc(C[N@@H+](C)[C@H](C)C(C)(C)C)oc1C ZINC000052504348 519986795 /nfs/dbraw/zinc/98/67/95/519986795.db2.gz OYDSJCMJUGXMLG-CYBMUJFWSA-N 2 1 266.429 3.564 10 0 CHAEMP CCCCC[N@H+](C(C)C)[C@@H](C[NH2+]C)c1ccccc1 ZINC000052544874 520148850 /nfs/dbraw/zinc/14/88/50/520148850.db2.gz HTHJKDKSBHKDKU-KRWDZBQOSA-N 2 1 262.441 3.848 10 0 CHAEMP CCCCC[N@@H+](C(C)C)[C@@H](C[NH2+]C)c1ccccc1 ZINC000052544874 520148863 /nfs/dbraw/zinc/14/88/63/520148863.db2.gz HTHJKDKSBHKDKU-KRWDZBQOSA-N 2 1 262.441 3.848 10 0 CHAEMP CC(C)(C)[NH2+]C[C@@H]1CC[N@H+](C2CCCCCCC2)C1 ZINC000053011157 518761382 /nfs/dbraw/zinc/76/13/82/518761382.db2.gz XQRPWOPSBLDDPL-HNNXBMFYSA-N 2 1 266.473 3.809 10 0 CHAEMP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1ccsc1 ZINC000061367291 519908794 /nfs/dbraw/zinc/90/87/94/519908794.db2.gz KJUGLRQSTLNXQA-WWTUQBGBSA-N 2 1 278.465 3.804 10 0 CHAEMP CC[NH2+]CCCCC[N@@H+](C)Cc1cccc(Cl)c1 ZINC000052508216 519919014 /nfs/dbraw/zinc/91/90/14/519919014.db2.gz MQWCVSKRYIUOKO-UHFFFAOYSA-N 2 1 268.832 3.552 10 0 CHAEMP CCCC[N@@H+](CC)Cc1cc(C[NH2+]C(C)C)c(C)o1 ZINC000052418729 520477665 /nfs/dbraw/zinc/47/76/65/520477665.db2.gz UPRKIEUZELBMTJ-UHFFFAOYSA-N 2 1 266.429 3.708 10 0 CHAEMP CC[N@@H+]([C@@H](C)CCC[NH2+]C(C)C)C1CCCCC1 ZINC000052420111 521472108 /nfs/dbraw/zinc/47/21/08/521472108.db2.gz IAQAZOBGGJVWJR-HNNXBMFYSA-N 2 1 254.462 3.808 10 0 CHAEMP C[N@@H+](CCCCC[NH2+]C(C)(C)C)Cc1ccsc1 ZINC000052457351 522731077 /nfs/dbraw/zinc/73/10/77/522731077.db2.gz PVSWDLPZBWJHMP-UHFFFAOYSA-N 2 1 268.470 3.738 10 0 CHAEMP C[N@@H+](CCCC[NH2+]C(C)(C)C)Cc1ccc(Cl)cc1 ZINC000052346276 522733687 /nfs/dbraw/zinc/73/36/87/522733687.db2.gz AGELPFGRKKQLJT-UHFFFAOYSA-N 2 1 282.859 3.940 10 0 CHAEMP C[C@@H]1CCCC[N@H+]1Cc1c2ccccc2sc1C[NH3+] ZINC000052378869 524114760 /nfs/dbraw/zinc/11/47/60/524114760.db2.gz BXRHYMKSLOYHNF-GFCCVEGCSA-N 2 1 274.433 3.734 10 0 CHAEMP CCC(CC)[C@@H](C[NH2+]C1[C@@H](C)CCC[C@@H]1C)[NH+](C)C ZINC000019985786 170961120 /nfs/dbraw/zinc/96/11/20/170961120.db2.gz HIIIRDNODXSHOG-OFQRWUPVSA-N 2 1 268.489 3.767 10 0 CHAEMP Cc1[nH+]ccn1[C@H]1CCCCCCCCCC[C@H]1[NH3+] ZINC000021789410 171323253 /nfs/dbraw/zinc/32/32/53/171323253.db2.gz IDNYKDFSIOWHDH-CVEARBPZSA-N 2 1 263.429 3.975 10 0 CHAEMP CC(C)[C@@H](C[NH2+]C1[C@@H](C)CCC[C@@H]1C)[NH+]1CCCC1 ZINC000021815986 171332489 /nfs/dbraw/zinc/33/24/89/171332489.db2.gz QPKOHMROELBOMG-HRCADAONSA-N 2 1 266.473 3.521 10 0 CHAEMP CC[C@@H](C)C[C@](CC)(C[NH3+])[N@H+](C)Cc1cccs1 ZINC000035717225 172371520 /nfs/dbraw/zinc/37/15/20/172371520.db2.gz KNLUIWVRZCWCRN-UKRRQHHQSA-N 2 1 268.470 3.724 10 0 CHAEMP CC[C@@H](C)C[C@](CC)(C[NH3+])[N@@H+](C)Cc1cccs1 ZINC000035717225 172371521 /nfs/dbraw/zinc/37/15/21/172371521.db2.gz KNLUIWVRZCWCRN-UKRRQHHQSA-N 2 1 268.470 3.724 10 0 CHAEMP CC(C)C[NH+](CC(C)C)[C@@H](c1cccs1)[C@@H](C)[NH3+] ZINC000043104474 174969902 /nfs/dbraw/zinc/96/99/02/174969902.db2.gz URWJJKISEQEADH-UKRRQHHQSA-N 2 1 268.470 3.750 10 0 CHAEMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccc2ccccc2c1 ZINC000070148756 260152415 /nfs/dbraw/zinc/15/24/15/260152415.db2.gz FDDZQAASNUQMSL-GOSISDBHSA-N 2 1 268.404 3.543 10 0 CHAEMP Cc1cc[nH+]c(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000301664132 261340250 /nfs/dbraw/zinc/34/02/50/261340250.db2.gz VUYUOKLOCWPNQN-SJLPKXTDSA-N 2 1 295.430 3.855 10 0 CHAEMP Cc1cc[nH+]c(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000301664132 261340252 /nfs/dbraw/zinc/34/02/52/261340252.db2.gz VUYUOKLOCWPNQN-SJLPKXTDSA-N 2 1 295.430 3.855 10 0 CHAEMP CCC(CC)[N@@H+](CCC1CC[NH2+]CC1)CC(C)C ZINC000093309171 264305925 /nfs/dbraw/zinc/30/59/25/264305925.db2.gz LJWLHVOKITWELY-UHFFFAOYSA-N 2 1 254.462 3.523 10 0 CHAEMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1cccc(Cl)c1 ZINC000049856213 328380374 /nfs/dbraw/zinc/38/03/74/328380374.db2.gz CXKZMWZXURBDKU-BBRMVZONSA-N 2 1 280.843 3.865 10 0 CHAEMP CCc1nccn1[C@@H]1CCC[N@@H+](Cc2ccccc2C)C1 ZINC000171523011 329076840 /nfs/dbraw/zinc/07/68/40/329076840.db2.gz VLPWZVUGEHQTOT-QGZVFWFLSA-N 2 1 283.419 3.591 10 0 CHAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(Cl)s1 ZINC000178321407 329198650 /nfs/dbraw/zinc/19/86/50/329198650.db2.gz AHCKFSDBLCWTST-GFCCVEGCSA-N 2 1 295.839 3.571 10 0 CHAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(Cl)s1 ZINC000178321407 329198651 /nfs/dbraw/zinc/19/86/51/329198651.db2.gz AHCKFSDBLCWTST-GFCCVEGCSA-N 2 1 295.839 3.571 10 0 CHAEMP Cc1ccc(N2CCC([NH2+][C@H]3CCC34CCCC4)CC2)[nH+]c1 ZINC000189134674 329376215 /nfs/dbraw/zinc/37/62/15/329376215.db2.gz HNGOIVYOLZAXNI-KRWDZBQOSA-N 2 1 299.462 3.671 10 0 CHAEMP CC[C@H]1CC[C@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)C1 ZINC000080459203 334171897 /nfs/dbraw/zinc/17/18/97/334171897.db2.gz PSCXLKQXHQADDZ-HOTGVXAUSA-N 2 1 266.473 3.809 10 0 CHAEMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251109673 334356749 /nfs/dbraw/zinc/35/67/49/334356749.db2.gz TUFFKCDQAILSQG-DUVNUKRYSA-N 2 1 280.843 3.850 10 0 CHAEMP CC(C)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1Cl ZINC000091335719 334376522 /nfs/dbraw/zinc/37/65/22/334376522.db2.gz PYKXMUYGXVAXJC-WMLDXEAASA-N 2 1 294.870 3.969 10 0 CHAEMP CCC[N@@H+](CC)Cc1c2ccccc2sc1C[NH3+] ZINC000052448414 521613559 /nfs/dbraw/zinc/61/35/59/521613559.db2.gz SXPIWRHXQURJGI-UHFFFAOYSA-N 2 1 262.422 3.592 10 0 CHAEMP C(CC[NH2+]C1CC1)CC[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000052482609 518382358 /nfs/dbraw/zinc/38/23/58/518382358.db2.gz SGVRNGWBEHLSTG-WBVHZDCISA-N 2 1 264.457 3.563 10 0 CHAEMP CC(C)[NH2+]Cc1cccc(C[N@H+]2CCCC[C@@H]2C)c1 ZINC000052378626 519727384 /nfs/dbraw/zinc/72/73/84/519727384.db2.gz NVNQRUMQLJDTMW-HNNXBMFYSA-N 2 1 260.425 3.559 10 0 CHAEMP CC(C)C[NH2+]C[C@@H](C)C[N@@H+](C)C1CCCCCC1 ZINC000052482013 519744593 /nfs/dbraw/zinc/74/45/93/519744593.db2.gz JLKYMULUXAGTQA-OAHLLOKOSA-N 2 1 254.462 3.523 10 0 CHAEMP CCC[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccc(Cl)s1 ZINC000052509259 519918486 /nfs/dbraw/zinc/91/84/86/519918486.db2.gz SGYIAYLETFSPGO-LLVKDONJSA-N 2 1 274.861 3.612 10 0 CHAEMP CCC[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000052509259 519918488 /nfs/dbraw/zinc/91/84/88/519918488.db2.gz SGYIAYLETFSPGO-LLVKDONJSA-N 2 1 274.861 3.612 10 0 CHAEMP CCC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1n1cc[nH+]c1C ZINC000054555855 520095719 /nfs/dbraw/zinc/09/57/19/520095719.db2.gz OHQZAEZVFYMKDC-JYJNAYRXSA-N 2 1 263.429 3.557 10 0 CHAEMP CCC(CC)[N@@H+](C)Cc1csc(C[NH2+]CC(C)C)n1 ZINC000052477937 521543330 /nfs/dbraw/zinc/54/33/30/521543330.db2.gz GZRGFFPWAIDVRC-UHFFFAOYSA-N 2 1 283.485 3.509 10 0 CHAEMP CC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+][C@@H](C)c2ccsc2)C1 ZINC000061361148 521627361 /nfs/dbraw/zinc/62/73/61/521627361.db2.gz RBUJALNTLVDUCD-HZSPNIEDSA-N 2 1 266.454 3.519 10 0 CHAEMP CC[C@@H]1CCCC[N@H+]1[C@@H](C)CCC[NH2+]CC(C)C ZINC000052447742 523179050 /nfs/dbraw/zinc/17/90/50/523179050.db2.gz MSFVZXIRLMLEIC-JKSUJKDBSA-N 2 1 254.462 3.665 10 0 CHAEMP CC[C@@](C)(C[NH2+]C(C)(C)C)C[N@@H+](CC1CC1)C(C)C ZINC000051259569 523640002 /nfs/dbraw/zinc/64/00/02/523640002.db2.gz FYTZPRYVDZHRCD-KRWDZBQOSA-N 2 1 268.489 3.911 10 0 CHAEMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc21 ZINC000126563081 524703448 /nfs/dbraw/zinc/70/34/48/524703448.db2.gz ZERXMOYVNBOSDR-NNFUDEMPSA-N 2 1 284.447 3.841 10 0 CHAEMP C[C@H]1CCCC[C@H]1[N@@H+](C)CCCC[NH2+]C(C)(C)C ZINC000052546518 526261330 /nfs/dbraw/zinc/26/13/30/526261330.db2.gz GQYRMVWTWZMJTI-LSDHHAIUSA-N 2 1 254.462 3.665 10 0 CHAEMP CC[NH+](CC)CC[C@@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000020274023 171130859 /nfs/dbraw/zinc/13/08/59/171130859.db2.gz JPCUJCSZCDCDDK-CYBMUJFWSA-N 2 1 275.223 3.725 10 0 CHAEMP CC(C)[NH+](CC[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1)C(C)C ZINC000021788802 171323160 /nfs/dbraw/zinc/32/31/60/171323160.db2.gz GTUPWGGTHRMTGK-HZPDHXFCSA-N 2 1 268.489 3.910 10 0 CHAEMP Cc1[nH+]ccn1[C@@H]1CCCCCCCCCC[C@@H]1[NH3+] ZINC000021789399 171323412 /nfs/dbraw/zinc/32/34/12/171323412.db2.gz IDNYKDFSIOWHDH-JKSUJKDBSA-N 2 1 263.429 3.975 10 0 CHAEMP [NH3+][C@H]1CCCC[C@H]1Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000038050614 174062270 /nfs/dbraw/zinc/06/22/70/174062270.db2.gz FLFRSWXQLFLIPI-GXTWGEPZSA-N 2 1 275.783 3.570 10 0 CHAEMP C[C@H]1CCC[C@@](C[NH2+]CCC(C)(C)C)([NH+](C)C)C1 ZINC000040669057 174367767 /nfs/dbraw/zinc/36/77/67/174367767.db2.gz SDOWYDFQGMMLIH-GOEBONIOSA-N 2 1 254.462 3.523 10 0 CHAEMP Cc1cccc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[nH+]1 ZINC000129238722 260386389 /nfs/dbraw/zinc/38/63/89/260386389.db2.gz ADOUFKHLZTVPAT-SJLPKXTDSA-N 2 1 295.430 3.855 10 0 CHAEMP Cc1cccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[nH+]1 ZINC000129238722 260386390 /nfs/dbraw/zinc/38/63/90/260386390.db2.gz ADOUFKHLZTVPAT-SJLPKXTDSA-N 2 1 295.430 3.855 10 0 CHAEMP Cc1cc[nH+]c(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000301664129 261339345 /nfs/dbraw/zinc/33/93/45/261339345.db2.gz VUYUOKLOCWPNQN-AEFFLSMTSA-N 2 1 295.430 3.855 10 0 CHAEMP Cc1cc[nH+]c(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000301664129 261339347 /nfs/dbraw/zinc/33/93/47/261339347.db2.gz VUYUOKLOCWPNQN-AEFFLSMTSA-N 2 1 295.430 3.855 10 0 CHAEMP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000157478908 264389354 /nfs/dbraw/zinc/38/93/54/264389354.db2.gz HJLMKFYNAQFXEB-KKXDTOCCSA-N 2 1 266.388 3.790 10 0 CHAEMP Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCCC[N@H+]2C)cc1F ZINC000094955367 265279357 /nfs/dbraw/zinc/27/93/57/265279357.db2.gz JVRMJRNIYQRYIZ-GOEBONIOSA-N 2 1 278.415 3.659 10 0 CHAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cc2ccccc2o1 ZINC000178544006 329198265 /nfs/dbraw/zinc/19/82/65/329198265.db2.gz XPYDLJNCGHJCSA-MRXNPFEDSA-N 2 1 295.386 3.602 10 0 CHAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cc2ccccc2o1 ZINC000178544006 329198267 /nfs/dbraw/zinc/19/82/67/329198267.db2.gz XPYDLJNCGHJCSA-MRXNPFEDSA-N 2 1 295.386 3.602 10 0 CHAEMP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)c1cccc2ccccc21 ZINC000396726239 330223815 /nfs/dbraw/zinc/22/38/15/330223815.db2.gz UHZGNTAFIUMKCX-SUNYJGFJSA-N 2 1 268.404 3.631 10 0 CHAEMP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)c1cccc2ccccc21 ZINC000396726238 330223861 /nfs/dbraw/zinc/22/38/61/330223861.db2.gz UHZGNTAFIUMKCX-PMUMKWKESA-N 2 1 268.404 3.631 10 0 CHAEMP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252673838 334384772 /nfs/dbraw/zinc/38/47/72/334384772.db2.gz MSXQQNWEAYGVIE-UYTYNIKBSA-N 2 1 278.484 3.664 10 0 CHAEMP C[C@@H](CCCC[NH3+])Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000382007815 336079895 /nfs/dbraw/zinc/07/98/95/336079895.db2.gz MJZKNGZCEFXXPL-NSHDSACASA-N 2 1 277.799 3.818 10 0 CHAEMP CC[C@@H](C)[N@@H+](C)Cc1cc(C[NH2+]C(C)(C)C)c(C)o1 ZINC000052444060 522064978 /nfs/dbraw/zinc/06/49/78/522064978.db2.gz ACOBTNMKOQYMMF-GFCCVEGCSA-N 2 1 266.429 3.706 10 0 CHAEMP CC(C)[NH2+]Cc1ccc(C[N@@H+](C)[C@H](C)C(C)(C)C)o1 ZINC000052504371 519726676 /nfs/dbraw/zinc/72/66/76/519726676.db2.gz XNCOEYYWAKNLRU-CYBMUJFWSA-N 2 1 266.429 3.644 10 0 CHAEMP CCC1CCC([N@@H+](C)C[C@@H](C)C[NH2+]C(C)(C)C)CC1 ZINC000052345552 519853161 /nfs/dbraw/zinc/85/31/61/519853161.db2.gz URCHLGTYRZPFER-FHERZECASA-N 2 1 268.489 3.911 10 0 CHAEMP CCC[NH2+]C1CC[NH+]([C@H](C)c2ccc(C)s2)CC1 ZINC000049183939 519906839 /nfs/dbraw/zinc/90/68/39/519906839.db2.gz QBJXIARPJUPPMZ-CYBMUJFWSA-N 2 1 266.454 3.582 10 0 CHAEMP CCC(CC)C[N@@H+](CC)[C@H](C)CC[NH2+]C(C)(C)C ZINC000052540760 521524097 /nfs/dbraw/zinc/52/40/97/521524097.db2.gz RQZAPRALYLFZLL-CQSZACIVSA-N 2 1 256.478 3.911 10 0 CHAEMP CC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+][C@@H](C)C2CCCCC2)C1 ZINC000052333097 521626706 /nfs/dbraw/zinc/62/67/06/521626706.db2.gz WDWJETFICSURHE-ZMSDIMECSA-N 2 1 266.473 3.665 10 0 CHAEMP C[N@@H+](CCC[C@H]1CCCC[NH2+]1)Cc1ccc(Cl)s1 ZINC000050953320 522787295 /nfs/dbraw/zinc/78/72/95/522787295.db2.gz VDPFKCPFAINPCY-GFCCVEGCSA-N 2 1 286.872 3.756 10 0 CHAEMP C[N@@H+](Cc1cc(C[NH2+]C(C)(C)C)co1)C1CCCC1 ZINC000052444884 523170428 /nfs/dbraw/zinc/17/04/28/523170428.db2.gz LNYRXUIUUIEGHW-UHFFFAOYSA-N 2 1 264.413 3.542 10 0 CHAEMP C[C@H](CCC[NH2+]C1CC1)[N@@H+](C)[C@@H](C)c1cccs1 ZINC000052506853 524141666 /nfs/dbraw/zinc/14/16/66/524141666.db2.gz BDTNZQWPTBUJON-OLZOCXBDSA-N 2 1 266.454 3.662 10 0 CHAEMP Cc1cc(C[N@@H+](C)CC(C)(C)C)oc1C[NH2+]C(C)C ZINC000052570243 524657922 /nfs/dbraw/zinc/65/79/22/524657922.db2.gz VKSCSEXBNGBFGQ-UHFFFAOYSA-N 2 1 266.429 3.564 10 0 CHAEMP C[C@@H]1C[C@H](C)C[N@H+](CCCCC[NH2+]C(C)(C)C)C1 ZINC000052420822 525381442 /nfs/dbraw/zinc/38/14/42/525381442.db2.gz AKQUPKITAKWCBB-GASCZTMLSA-N 2 1 254.462 3.523 10 0 CHAEMP Cc1cccc(C[NH+]2CCC[C@]3(CC[N@H+](C(C)C)C3)C2)c1 ZINC000014972501 567869823 /nfs/dbraw/zinc/86/98/23/567869823.db2.gz DIHMIDVSQZTGEW-IBGZPJMESA-N 2 1 286.463 3.691 10 0 CHAEMP Cc1cccc(C[N@H+]2CCC[C@]3(CC[NH+](C(C)C)C3)C2)c1 ZINC000014972501 567869824 /nfs/dbraw/zinc/86/98/24/567869824.db2.gz DIHMIDVSQZTGEW-IBGZPJMESA-N 2 1 286.463 3.691 10 0 CHAEMP Cc1cccc(C[N@@H+]2CCC[C@]3(CC[NH+](C(C)C)C3)C2)c1 ZINC000014972501 567869825 /nfs/dbraw/zinc/86/98/25/567869825.db2.gz DIHMIDVSQZTGEW-IBGZPJMESA-N 2 1 286.463 3.691 10 0 CHAEMP C[C@H]1C[C@H]1c1ccc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)o1 ZINC000020143190 171029171 /nfs/dbraw/zinc/02/91/71/171029171.db2.gz RTDOEPITLJTLPJ-SWLSCSKDSA-N 2 1 290.451 3.802 10 0 CHAEMP Cc1ccc([C@@H]([NH3+])[C@@H](C)n2cc[nH+]c2C(C)C)cc1 ZINC000020262077 171119759 /nfs/dbraw/zinc/11/97/59/171119759.db2.gz WINQOOYGESEFIP-HIFRSBDPSA-N 2 1 257.381 3.576 10 0 CHAEMP CC(C)[NH+](CC[NH2+]C1[C@H](C)CCC[C@@H]1C)C(C)C ZINC000021009492 171286378 /nfs/dbraw/zinc/28/63/78/171286378.db2.gz ARCJVAHCGZSJTA-XYPWUTKMSA-N 2 1 254.462 3.520 10 0 CHAEMP CC(C)CC[C@H](C)[NH2+]C[C@@H](C(C)C)[NH+]1CCCC1 ZINC000021514873 171311918 /nfs/dbraw/zinc/31/19/18/171311918.db2.gz IEIOMESVALJAIP-HOTGVXAUSA-N 2 1 254.462 3.521 10 0 CHAEMP CC(C)[C@H](C[NH2+]C1[C@@H](C)CCC[C@@H]1C)[NH+]1CCCC1 ZINC000021815987 171332441 /nfs/dbraw/zinc/33/24/41/171332441.db2.gz QPKOHMROELBOMG-JYJNAYRXSA-N 2 1 266.473 3.521 10 0 CHAEMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000035162123 172022321 /nfs/dbraw/zinc/02/23/21/172022321.db2.gz DUQGJGFIZZPQGI-RLHPCVIISA-N 2 1 290.495 3.665 10 0 CHAEMP CC[C@H](C)C[C@](CC)(C[NH3+])[N@H+](C)Cc1ccsc1 ZINC000035719088 172373261 /nfs/dbraw/zinc/37/32/61/172373261.db2.gz YOYREZVYFDPOHB-DZGCQCFKSA-N 2 1 268.470 3.724 10 0 CHAEMP CC[C@H](C)C[C@](CC)(C[NH3+])[N@@H+](C)Cc1ccsc1 ZINC000035719088 172373264 /nfs/dbraw/zinc/37/32/64/172373264.db2.gz YOYREZVYFDPOHB-DZGCQCFKSA-N 2 1 268.470 3.724 10 0 CHAEMP CC(C)[N@@H+](Cc1ccccc1)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000040431887 174260450 /nfs/dbraw/zinc/26/04/50/174260450.db2.gz HVMKFWTUIFKOBB-IRXDYDNUSA-N 2 1 260.425 3.557 10 0 CHAEMP CC[N@H+](CC[C@H]1[NH2+]CCc2ccccc21)Cc1ccccc1 ZINC000076565512 177039421 /nfs/dbraw/zinc/03/94/21/177039421.db2.gz BMJIWWJJMXCFCB-HXUWFJFHSA-N 2 1 294.442 3.786 10 0 CHAEMP CC[N@@H+](CC[C@H]1[NH2+]CCc2ccccc21)Cc1ccccc1 ZINC000076565512 177039423 /nfs/dbraw/zinc/03/94/23/177039423.db2.gz BMJIWWJJMXCFCB-HXUWFJFHSA-N 2 1 294.442 3.786 10 0 CHAEMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000221790203 262296692 /nfs/dbraw/zinc/29/66/92/262296692.db2.gz ULSJPSOYJNHICZ-HUUCEWRRSA-N 2 1 254.462 3.521 10 0 CHAEMP [NH3+]CCC[C@H](Nc1cc[nH+]cc1Cl)c1ccccc1 ZINC000312043621 262346632 /nfs/dbraw/zinc/34/66/32/262346632.db2.gz XSTKHDDWMMLUGL-AWEZNQCLSA-N 2 1 275.783 3.627 10 0 CHAEMP CC(C)c1ccc(C[N@@H+](CC2CC[NH2+]CC2)C2CC2)cc1 ZINC000094021330 265208973 /nfs/dbraw/zinc/20/89/73/265208973.db2.gz MWKDNYZRNWFXPE-UHFFFAOYSA-N 2 1 286.463 3.774 10 0 CHAEMP Cc1cccc(N2CCC([NH2+][C@H](C)CCC3CC3)CC2)[nH+]1 ZINC000186343285 329343344 /nfs/dbraw/zinc/34/33/44/329343344.db2.gz RCGLAMZGPZKGJF-OAHLLOKOSA-N 2 1 287.451 3.527 10 0 CHAEMP CCC[NH2+]Cc1nc(C[N@H+](C)[C@@H](C)C(C)(C)C)cs1 ZINC000052504221 519965678 /nfs/dbraw/zinc/96/56/78/519965678.db2.gz VILXCLNGZOUHNK-LBPRGKRZSA-N 2 1 283.485 3.509 10 0 CHAEMP CCC[NH2+]Cc1nc(C[N@@H+](C)[C@@H](C)C(C)(C)C)cs1 ZINC000052504221 519965690 /nfs/dbraw/zinc/96/56/90/519965690.db2.gz VILXCLNGZOUHNK-LBPRGKRZSA-N 2 1 283.485 3.509 10 0 CHAEMP CCC[NH2+][C@H](C[N@H+]1CCC[C@H](C)[C@@H]1C)C(C)(C)C ZINC000050564499 520083580 /nfs/dbraw/zinc/08/35/80/520083580.db2.gz NIHCRXUQFGHLDY-SOUVJXGZSA-N 2 1 254.462 3.521 10 0 CHAEMP CC(C)[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2)CCC[NH2+]1 ZINC000062705205 519804719 /nfs/dbraw/zinc/80/47/19/519804719.db2.gz FBLCACILIRKVCC-SFHVURJKSA-N 2 1 288.479 3.804 10 0 CHAEMP CCCC1CCC([NH2+]CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000052206049 519898670 /nfs/dbraw/zinc/89/86/70/519898670.db2.gz BNXUTHAWSUKDEX-JCYILVPMSA-N 2 1 266.473 3.809 10 0 CHAEMP CCC[NH2+]Cc1occc1C[N@@H+](C)[C@H](C)CC(C)C ZINC000052571889 519972904 /nfs/dbraw/zinc/97/29/04/519972904.db2.gz BUCGUPBOHMQNMC-CQSZACIVSA-N 2 1 266.429 3.646 10 0 CHAEMP CCC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1C[N@@H+](C)C1CC1 ZINC000054559742 520096959 /nfs/dbraw/zinc/09/69/59/520096959.db2.gz ASLVHXXBCZJJSI-UXLLHSPISA-N 2 1 266.473 3.521 10 0 CHAEMP CC[N@H+](Cc1cc(C[NH2+]C(C)(C)C)co1)CC(C)C ZINC000052449792 521290691 /nfs/dbraw/zinc/29/06/91/521290691.db2.gz GURJCSWZAAYMQD-UHFFFAOYSA-N 2 1 266.429 3.646 10 0 CHAEMP CC[N@@H+](Cc1ccccc1)[C@H](C)CC[NH2+]C(C)(C)C ZINC000052443839 521373465 /nfs/dbraw/zinc/37/34/65/521373465.db2.gz DXCPXYQQIQHMTA-OAHLLOKOSA-N 2 1 262.441 3.675 10 0 CHAEMP CC[N@@H+]([C@H](C)CCC[NH2+]C(C)C)C1CCCCC1 ZINC000052420112 521477662 /nfs/dbraw/zinc/47/76/62/521477662.db2.gz IAQAZOBGGJVWJR-OAHLLOKOSA-N 2 1 254.462 3.808 10 0 CHAEMP C[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCCC1 ZINC000052482144 522134451 /nfs/dbraw/zinc/13/44/51/522134451.db2.gz HMMCMBXREVJWKF-UHFFFAOYSA-N 2 1 260.425 3.561 10 0 CHAEMP CC[C@@H]([NH3+])[C@@H](c1sccc1C)[NH+]1CCC(C)(C)CC1 ZINC000061818482 522651132 /nfs/dbraw/zinc/65/11/32/522651132.db2.gz VSDBSRNBNWPCMY-KGLIPLIRSA-N 2 1 280.481 3.957 10 0 CHAEMP C[N@@H+](CCCCC[NH2+]C(C)(C)C)Cc1ccccc1 ZINC000052417515 522732430 /nfs/dbraw/zinc/73/24/30/522732430.db2.gz ALMBDCJCQUOKFH-UHFFFAOYSA-N 2 1 262.441 3.677 10 0 CHAEMP C[N@@H+]([C@@H](CC[NH3+])c1ccccc1)C1CCCCCC1 ZINC000055016167 523622867 /nfs/dbraw/zinc/62/28/67/523622867.db2.gz IYMRQXJOINBTCH-KRWDZBQOSA-N 2 1 260.425 3.731 10 0 CHAEMP C[C@H](CC[NH2+]C(C)(C)C)[N@H+](Cc1ccsc1)C1CC1 ZINC000052542179 524191248 /nfs/dbraw/zinc/19/12/48/524191248.db2.gz DHHMEPRHWKXOBA-CYBMUJFWSA-N 2 1 280.481 3.879 10 0 CHAEMP C[C@H](CC[NH2+]C(C)(C)C)[N@@H+](Cc1ccsc1)C1CC1 ZINC000052542179 524191254 /nfs/dbraw/zinc/19/12/54/524191254.db2.gz DHHMEPRHWKXOBA-CYBMUJFWSA-N 2 1 280.481 3.879 10 0 CHAEMP Cc1ccc(C[N@H+](C)[C@@H](C)CCC[NH2+]C(C)(C)C)o1 ZINC000052455850 524398037 /nfs/dbraw/zinc/39/80/37/524398037.db2.gz BBIAWZXVYUCKHM-ZDUSSCGKSA-N 2 1 266.429 3.577 10 0 CHAEMP C=Cc1cccc(C[N@H+]2CCCC3(CC[NH2+]CC3)CC2)c1 ZINC000067894669 567197189 /nfs/dbraw/zinc/19/71/89/567197189.db2.gz FDWBAMFQFMUYOT-UHFFFAOYSA-N 2 1 284.447 3.685 10 0 CHAEMP CC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1cccs1 ZINC000020189465 171055405 /nfs/dbraw/zinc/05/54/05/171055405.db2.gz LGBZWFNKIBCJCL-AWEZNQCLSA-N 2 1 266.454 3.662 10 0 CHAEMP C[NH+](C)C(C)(C)C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000021054073 171295338 /nfs/dbraw/zinc/29/53/38/171295338.db2.gz LMQKXFYGYYONQT-KBPBESRZSA-N 2 1 254.462 3.521 10 0 CHAEMP CCCC(CCC)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000021511943 171311064 /nfs/dbraw/zinc/31/10/64/171311064.db2.gz RZFARHZTXCKNLP-UHFFFAOYSA-N 2 1 254.462 3.809 10 0 CHAEMP CC[C@H](C)C[C@@](CC)(C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000021814384 171331652 /nfs/dbraw/zinc/33/16/52/171331652.db2.gz HSSWDHIDKXJORU-YJBOKZPZSA-N 2 1 274.452 3.588 10 0 CHAEMP C[C@@H]1CC(C)(C)C[C@@](C[NH3+])([N@H+](C)Cc2cccs2)C1 ZINC000035717212 172370827 /nfs/dbraw/zinc/37/08/27/172370827.db2.gz WGICFRHCUJGLFN-CJNGLKHVSA-N 2 1 280.481 3.724 10 0 CHAEMP C[C@@H]1CC(C)(C)C[C@@](C[NH3+])([N@@H+](C)Cc2cccs2)C1 ZINC000035717212 172370829 /nfs/dbraw/zinc/37/08/29/172370829.db2.gz WGICFRHCUJGLFN-CJNGLKHVSA-N 2 1 280.481 3.724 10 0 CHAEMP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)[nH+]1 ZINC000171652040 335073286 /nfs/dbraw/zinc/07/32/86/335073286.db2.gz NJFMGKZONQSLSR-DLBZAZTESA-N 2 1 295.430 3.885 10 0 CHAEMP Cc1cccc(NC[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)[nH+]1 ZINC000171652040 335073288 /nfs/dbraw/zinc/07/32/88/335073288.db2.gz NJFMGKZONQSLSR-DLBZAZTESA-N 2 1 295.430 3.885 10 0 CHAEMP C[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171640851 329075213 /nfs/dbraw/zinc/07/52/13/329075213.db2.gz QJMLLXXZYNPHJG-HUUCEWRRSA-N 2 1 299.393 3.716 10 0 CHAEMP Cc1cccc(N2CCC([NH2+][C@H]3CCCC[C@@H]3C)CC2)[nH+]1 ZINC000128187308 329605572 /nfs/dbraw/zinc/60/55/72/329605572.db2.gz VXEWCZRKEIYFNC-YOEHRIQHSA-N 2 1 287.451 3.527 10 0 CHAEMP CC[C@H](C)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000309812842 333049814 /nfs/dbraw/zinc/04/98/14/333049814.db2.gz XBDQHBHLTUUSJG-DSLXNQLJSA-N 2 1 286.463 3.533 10 0 CHAEMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3c(Cl)cccc3Cl)C[C@@H]21 ZINC000230045687 333312543 /nfs/dbraw/zinc/31/25/43/333312543.db2.gz FNWJDQXTFDMRIB-ZIBATOQPSA-N 2 1 299.245 3.553 10 0 CHAEMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3c(Cl)cccc3Cl)C[C@@H]21 ZINC000230045687 333312544 /nfs/dbraw/zinc/31/25/44/333312544.db2.gz FNWJDQXTFDMRIB-ZIBATOQPSA-N 2 1 299.245 3.553 10 0 CHAEMP CC(C)C[NH2+]CCC[C@H](C)[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000052513979 519743629 /nfs/dbraw/zinc/74/36/29/519743629.db2.gz YGDOURUXDONSLD-IXDOHACOSA-N 2 1 268.489 3.911 10 0 CHAEMP CC(C)C[NH2+]C[C@H](C)C[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000052517478 519745700 /nfs/dbraw/zinc/74/57/00/519745700.db2.gz PRMZJMRXGQIVON-DOTOQJQBSA-N 2 1 266.473 3.523 10 0 CHAEMP CCCCC[N@@H+](C[C@H](C)C[NH2+]C(C)(C)C)C(C)C ZINC000052544755 520174584 /nfs/dbraw/zinc/17/45/84/520174584.db2.gz ODWIIUIHTDDPNI-OAHLLOKOSA-N 2 1 256.478 3.911 10 0 CHAEMP CCCC[N@@H+](C[C@@H](C)C[NH2+]C(C)(C)C)[C@@H](C)CC ZINC000052372615 520542003 /nfs/dbraw/zinc/54/20/03/520542003.db2.gz IJRZIPAHFUVZSD-GJZGRUSLSA-N 2 1 256.478 3.911 10 0 CHAEMP C(CC[NH2+]C1CC1)CC[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000052482607 518383293 /nfs/dbraw/zinc/38/32/93/518383293.db2.gz SGVRNGWBEHLSTG-RDJZCZTQSA-N 2 1 264.457 3.563 10 0 CHAEMP CC(C)(C)[NH2+]C[C@H]1CC[N@H+](C2CCCCCCC2)C1 ZINC000053011159 518762923 /nfs/dbraw/zinc/76/29/23/518762923.db2.gz XQRPWOPSBLDDPL-OAHLLOKOSA-N 2 1 266.473 3.809 10 0 CHAEMP CC(C)C[NH2+]CCCCC[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000052546872 519743172 /nfs/dbraw/zinc/74/31/72/519743172.db2.gz DGPBXGBXANZNJZ-DLBZAZTESA-N 2 1 268.489 3.913 10 0 CHAEMP CC(C)C[NH2+]CCC[C@H](C)[N@@H+](C)C1CCC(C)CC1 ZINC000052345435 519743805 /nfs/dbraw/zinc/74/38/05/519743805.db2.gz BGZSPNHRDYMQQR-CGZBRXJRSA-N 2 1 268.489 3.911 10 0 CHAEMP CC(C)C[NH2+]CCC[N@@H+](Cc1cccs1)C(C)C ZINC000052544960 519743824 /nfs/dbraw/zinc/74/38/24/519743824.db2.gz ALINNEAGEKDXGK-UHFFFAOYSA-N 2 1 268.470 3.594 10 0 CHAEMP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCCC1 ZINC000054628368 519910996 /nfs/dbraw/zinc/91/09/96/519910996.db2.gz QJFPZANVKNOWAX-ALOPSCKCSA-N 2 1 264.457 3.562 10 0 CHAEMP CCCC[N@@H+]([C@H](C)CC)[C@@H](C)CC[NH2+]CC(C)C ZINC000052372832 520552659 /nfs/dbraw/zinc/55/26/59/520552659.db2.gz LZKVEVBSBDSIIB-CVEARBPZSA-N 2 1 256.478 3.911 10 0 CHAEMP CCCC[N@@H+]([C@@H](C)CC)[C@@H](C)CC[NH2+]CC(C)C ZINC000052372831 520552773 /nfs/dbraw/zinc/55/27/73/520552773.db2.gz LZKVEVBSBDSIIB-HOTGVXAUSA-N 2 1 256.478 3.911 10 0 CHAEMP CCC[C@@H](C)[N@@H+](C)Cc1ccccc1C[NH2+]C1CC1 ZINC000052480788 520645862 /nfs/dbraw/zinc/64/58/62/520645862.db2.gz VYOJGQQCLDCEAI-CQSZACIVSA-N 2 1 260.425 3.559 10 0 CHAEMP CC[C@@H](C[NH2+]C(C)(C)C)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000052482228 522543528 /nfs/dbraw/zinc/54/35/28/522543528.db2.gz FYCPXOHQCZPMDW-XHSDSOJGSA-N 2 1 266.473 3.665 10 0 CHAEMP CC[C@H]1CCC[N@H+]([C@@H](C)CCC[NH2+]CC(C)C)C1 ZINC000052479830 523094662 /nfs/dbraw/zinc/09/46/62/523094662.db2.gz AXAYOEQOWRHIFU-HOTGVXAUSA-N 2 1 254.462 3.523 10 0 CHAEMP C[C@@H](CCC[NH2+]C1CC1)[N@H+]1CCc2sccc2[C@@H]1C ZINC000052505513 524458296 /nfs/dbraw/zinc/45/82/96/524458296.db2.gz IUOOYHRYVNCHNI-STQMWFEESA-N 2 1 278.465 3.588 10 0 CHAEMP CC(C)=CC[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000192301022 1125331933 /nfs/dbraw/zinc/33/19/33/1125331933.db2.gz WKYMPMFOGRTODB-HNNXBMFYSA-N 2 1 278.465 3.516 10 0 CHAEMP CC(C)=CC[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000192301022 1125331937 /nfs/dbraw/zinc/33/19/37/1125331937.db2.gz WKYMPMFOGRTODB-HNNXBMFYSA-N 2 1 278.465 3.516 10 0 CHAEMP Cc1ccc([C@H]([NH3+])[C@@H](C)n2cc[nH+]c2C(C)C)cc1 ZINC000020262073 171119892 /nfs/dbraw/zinc/11/98/92/171119892.db2.gz WINQOOYGESEFIP-UKRRQHHQSA-N 2 1 257.381 3.576 10 0 CHAEMP CCCCC[C@@H](C)[NH2+]C[C@H](C(CC)CC)[NH+](C)C ZINC000021040127 171293497 /nfs/dbraw/zinc/29/34/97/171293497.db2.gz ILBOEMIUPDTXDR-GDBMZVCRSA-N 2 1 256.478 3.911 10 0 CHAEMP CC[C@@H](C)C[C@@](CC)(C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000021814383 171331493 /nfs/dbraw/zinc/33/14/93/171331493.db2.gz HSSWDHIDKXJORU-QAPCUYQASA-N 2 1 274.452 3.588 10 0 CHAEMP CCC[N@H+]1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)CCC(C)C)C1 ZINC000037220345 173037652 /nfs/dbraw/zinc/03/76/52/173037652.db2.gz GFCRIEDZGKRUND-BBWFWOEESA-N 2 1 268.489 3.911 10 0 CHAEMP CC[C@H]([NH3+])[C@H](c1cccc(Cl)c1)[N@H+](C)C1CCCC1 ZINC000042975231 174939029 /nfs/dbraw/zinc/93/90/29/174939029.db2.gz SXDNWJAAMJZFSR-HOTGVXAUSA-N 2 1 280.843 3.993 10 0 CHAEMP CC[C@H]([NH3+])[C@H](c1cccc(Cl)c1)[N@@H+](C)C1CCCC1 ZINC000042975231 174939031 /nfs/dbraw/zinc/93/90/31/174939031.db2.gz SXDNWJAAMJZFSR-HOTGVXAUSA-N 2 1 280.843 3.993 10 0 CHAEMP C[N@H+](CC[NH2+]C1CCCCCCC1)C1CCCC1 ZINC000071376606 176141042 /nfs/dbraw/zinc/14/10/42/176141042.db2.gz JPVVYWZQOQBENF-UHFFFAOYSA-N 2 1 252.446 3.563 10 0 CHAEMP C[N@@H+](CC[NH2+]C1CCCCCCC1)C1CCCC1 ZINC000071376606 176141043 /nfs/dbraw/zinc/14/10/43/176141043.db2.gz JPVVYWZQOQBENF-UHFFFAOYSA-N 2 1 252.446 3.563 10 0 CHAEMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000070169450 260152585 /nfs/dbraw/zinc/15/25/85/260152585.db2.gz OOLVELPYRKSHGK-OAHLLOKOSA-N 2 1 274.452 3.545 10 0 CHAEMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000128488049 260374726 /nfs/dbraw/zinc/37/47/26/260374726.db2.gz AYYPCQBEENVURK-GOSISDBHSA-N 2 1 270.420 3.645 10 0 CHAEMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3c(Cl)cccc3Cl)C[C@H]21 ZINC000228471926 262338893 /nfs/dbraw/zinc/33/88/93/262338893.db2.gz FNWJDQXTFDMRIB-FIXISWKDSA-N 2 1 299.245 3.553 10 0 CHAEMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3c(Cl)cccc3Cl)C[C@H]21 ZINC000228471926 262338895 /nfs/dbraw/zinc/33/88/95/262338895.db2.gz FNWJDQXTFDMRIB-FIXISWKDSA-N 2 1 299.245 3.553 10 0 CHAEMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000049856226 328380230 /nfs/dbraw/zinc/38/02/30/328380230.db2.gz LGLQMRLJQQDCEN-CZUORRHYSA-N 2 1 280.843 3.865 10 0 CHAEMP CC[C@H](C)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000309812854 333049969 /nfs/dbraw/zinc/04/99/69/333049969.db2.gz XBDQHBHLTUUSJG-JCHJZTRSSA-N 2 1 286.463 3.533 10 0 CHAEMP CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)CC[C@H]2C(C)C)CC1 ZINC000245224679 334185287 /nfs/dbraw/zinc/18/52/87/334185287.db2.gz BHIQOMAFMHLGKE-BHYGNILZSA-N 2 1 266.473 3.521 10 0 CHAEMP CC(C)CC[N@@H+](C)Cc1ccc(C[NH2+]C(C)(C)C)o1 ZINC000052545840 519650779 /nfs/dbraw/zinc/65/07/79/519650779.db2.gz OZRDLLZUGRONHP-UHFFFAOYSA-N 2 1 266.429 3.646 10 0 CHAEMP CCC[NH2+]Cc1ccoc1C[N@H+]1CCCC[C@H]1CC ZINC000052447398 519957980 /nfs/dbraw/zinc/95/79/80/519957980.db2.gz VCFDBXJPHVDZBF-OAHLLOKOSA-N 2 1 264.413 3.544 10 0 CHAEMP CCCCC[N@@H+](C)Cc1cccc(C[NH2+]C(C)C)c1 ZINC000052454670 520151232 /nfs/dbraw/zinc/15/12/32/520151232.db2.gz AYCPTHOTCLZOPE-UHFFFAOYSA-N 2 1 262.441 3.807 10 0 CHAEMP CCC(CC)[N@@H+](C)Cc1oc2ccccc2c1C[NH3+] ZINC000052478147 521541766 /nfs/dbraw/zinc/54/17/66/521541766.db2.gz RZERRXJGROKOEC-UHFFFAOYSA-N 2 1 260.381 3.512 10 0 CHAEMP CC(C)[NH2+]CCC[C@H](C)[N@@H+](Cc1ccsc1)C1CC1 ZINC000052542089 519720963 /nfs/dbraw/zinc/72/09/63/519720963.db2.gz NBVVUXRDNQUYRT-AWEZNQCLSA-N 2 1 280.481 3.879 10 0 CHAEMP CC(C)c1ccc(C[N@H+]2CCCC[C@H]2CC[NH3+])cc1 ZINC000111380489 519835775 /nfs/dbraw/zinc/83/57/75/519835775.db2.gz KRRMNXPMLLDGBW-KRWDZBQOSA-N 2 1 260.425 3.513 10 0 CHAEMP CCC[NH2+]Cc1coc(C[N@@H+](C)[C@@H](C)C(C)(C)C)c1 ZINC000052504488 519965841 /nfs/dbraw/zinc/96/58/41/519965841.db2.gz JUPXFLODVPWDDX-ZDUSSCGKSA-N 2 1 266.429 3.646 10 0 CHAEMP CC[NH2+]Cc1cc(C[N@@H+](C)[C@H](C)CC(C)C)c(C)o1 ZINC000052572073 519988379 /nfs/dbraw/zinc/98/83/79/519988379.db2.gz PYENAYGPVQGEBN-CYBMUJFWSA-N 2 1 266.429 3.564 10 0 CHAEMP CC[N@@H+](Cc1cc(C[NH2+]CC(C)C)c(C)o1)C(C)C ZINC000052446709 521288801 /nfs/dbraw/zinc/28/88/01/521288801.db2.gz MBDAFVIHKQFKSK-UHFFFAOYSA-N 2 1 266.429 3.564 10 0 CHAEMP CC[C@H]([NH3+])[C@H](c1ccc(C)s1)[NH+]1CCC(C)(C)CC1 ZINC000061818355 522344836 /nfs/dbraw/zinc/34/48/36/522344836.db2.gz RARGXZLIJZWFIY-DZGCQCFKSA-N 2 1 280.481 3.957 10 0 CHAEMP CC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1cccs1 ZINC000227539677 522761806 /nfs/dbraw/zinc/76/18/06/522761806.db2.gz KEQBZKQFVDLGBR-ILXRZTDVSA-N 2 1 272.417 3.934 10 0 CHAEMP CC[C@H](C)C[N@@H+](C)Cc1ccc(C[NH2+]C(C)C)cc1 ZINC000052454341 523869839 /nfs/dbraw/zinc/86/98/39/523869839.db2.gz FJZGOQWTFLVFKO-HNNXBMFYSA-N 2 1 262.441 3.663 10 0 CHAEMP CC[C@H](C)[N@@H+](C)Cc1cc(C[NH2+]C(C)(C)C)c(C)o1 ZINC000052444061 523923051 /nfs/dbraw/zinc/92/30/51/523923051.db2.gz ACOBTNMKOQYMMF-LBPRGKRZSA-N 2 1 266.429 3.706 10 0 CHAEMP C[C@@H](CC[NH2+]C(C)(C)C)[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000052514260 524497082 /nfs/dbraw/zinc/49/70/82/524497082.db2.gz NMODFROKYYEWTL-QLFBSQMISA-N 2 1 254.462 3.664 10 0 CHAEMP CC(C)=CC[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000192301029 1125331714 /nfs/dbraw/zinc/33/17/14/1125331714.db2.gz WKYMPMFOGRTODB-OAHLLOKOSA-N 2 1 278.465 3.516 10 0 CHAEMP CC(C)=CC[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000192301029 1125331717 /nfs/dbraw/zinc/33/17/17/1125331717.db2.gz WKYMPMFOGRTODB-OAHLLOKOSA-N 2 1 278.465 3.516 10 0 CHAEMP CCC(CC)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C)[NH+](C)C ZINC000021011863 171287529 /nfs/dbraw/zinc/28/75/29/171287529.db2.gz FBXLRJIYMURHDK-IMJJTQAJSA-N 2 1 254.462 3.521 10 0 CHAEMP CCCOc1ccc([C@@H](C)[NH2+]CCC[NH+](CC)CC)cc1 ZINC000021516704 171312902 /nfs/dbraw/zinc/31/29/02/171312902.db2.gz UQENKNPVLBNJPG-MRXNPFEDSA-N 2 1 292.467 3.858 10 0 CHAEMP CC[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000021518301 171314564 /nfs/dbraw/zinc/31/45/64/171314564.db2.gz KUWAPMXHHBRRHO-WMZOPIPTSA-N 2 1 274.452 3.992 10 0 CHAEMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000035162124 172022187 /nfs/dbraw/zinc/02/21/87/172022187.db2.gz DUQGJGFIZZPQGI-QWEMWOLJSA-N 2 1 290.495 3.665 10 0 CHAEMP CCC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+][C@@H](C)CCC(C)C)C1 ZINC000037220347 173038222 /nfs/dbraw/zinc/03/82/22/173038222.db2.gz GFCRIEDZGKRUND-GVDBMIGSSA-N 2 1 268.489 3.911 10 0 CHAEMP CCCC[C@@H](CC)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](CC)C1 ZINC000037220524 173038875 /nfs/dbraw/zinc/03/88/75/173038875.db2.gz WXPZSIDKQXKICK-GVDBMIGSSA-N 2 1 268.489 3.913 10 0 CHAEMP C[C@@H]1CCC[C@](C[NH2+]CCC(C)(C)C)([NH+](C)C)C1 ZINC000040669059 174367537 /nfs/dbraw/zinc/36/75/37/174367537.db2.gz SDOWYDFQGMMLIH-ZBFHGGJFSA-N 2 1 254.462 3.523 10 0 CHAEMP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)[nH+]1 ZINC000171652036 335073396 /nfs/dbraw/zinc/07/33/96/335073396.db2.gz NJFMGKZONQSLSR-IRXDYDNUSA-N 2 1 295.430 3.885 10 0 CHAEMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)[nH+]1 ZINC000171652036 335073397 /nfs/dbraw/zinc/07/33/97/335073397.db2.gz NJFMGKZONQSLSR-IRXDYDNUSA-N 2 1 295.430 3.885 10 0 CHAEMP Cc1ccc([C@H](C)[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)o1 ZINC000093515058 260289963 /nfs/dbraw/zinc/28/99/63/260289963.db2.gz WAJGXICZEYNPMR-SNPRPXQTSA-N 2 1 264.413 3.549 10 0 CHAEMP Cc1nccn1C[C@H]1CCC[N@H+]1CCCc1cccc(C)c1 ZINC000181136639 329232781 /nfs/dbraw/zinc/23/27/81/329232781.db2.gz FJSHSGPKNCAQEL-LJQANCHMSA-N 2 1 297.446 3.597 10 0 CHAEMP Cc1nccn1C[C@@H]1CCC[N@H+]1CCCc1cccc(C)c1 ZINC000181136660 329232874 /nfs/dbraw/zinc/23/28/74/329232874.db2.gz FJSHSGPKNCAQEL-IBGZPJMESA-N 2 1 297.446 3.597 10 0 CHAEMP C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1Cl)[C@@H]1CC[NH2+]C1 ZINC000400501012 332712147 /nfs/dbraw/zinc/71/21/47/332712147.db2.gz INFVRTONTXUDBH-OUAUKWLOSA-N 2 1 287.234 3.642 10 0 CHAEMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(Cl)cc3Cl)C[C@@H]21 ZINC000230047600 333312491 /nfs/dbraw/zinc/31/24/91/333312491.db2.gz TVRAGGVLGDAMTF-VZJVUDMVSA-N 2 1 299.245 3.553 10 0 CHAEMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3Cl)C[C@@H]21 ZINC000230047600 333312493 /nfs/dbraw/zinc/31/24/93/333312493.db2.gz TVRAGGVLGDAMTF-VZJVUDMVSA-N 2 1 299.245 3.553 10 0 CHAEMP CC(C)(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000252876457 334398244 /nfs/dbraw/zinc/39/82/44/334398244.db2.gz WGRMGIZYUSHIOQ-RYQLBKOJSA-N 2 1 286.463 3.543 10 0 CHAEMP CCCC[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](CCC)C1 ZINC000050887324 521152944 /nfs/dbraw/zinc/15/29/44/521152944.db2.gz REZHNJXDHFTEIE-ARFHVFGLSA-N 2 1 254.462 3.665 10 0 CHAEMP CC(C)C[C@H](C)[N@@H+](C)Cc1cc(C[NH2+]C(C)C)co1 ZINC000052571965 519311448 /nfs/dbraw/zinc/31/14/48/519311448.db2.gz VCXNKWFZAPUNLR-AWEZNQCLSA-N 2 1 266.429 3.644 10 0 CHAEMP CC(C)[NH2+]CC[C@H](C)[N@@H+](Cc1cccs1)C(C)C ZINC000052545058 519722068 /nfs/dbraw/zinc/72/20/68/519722068.db2.gz HSLPWRWRSUMHMW-AWEZNQCLSA-N 2 1 268.470 3.735 10 0 CHAEMP CC(C)C[NH2+]CCC[C@H](C)[N@@H+](C)C1CCCCC1 ZINC000052419364 519743534 /nfs/dbraw/zinc/74/35/34/519743534.db2.gz NWESBAMLZXHHFI-HNNXBMFYSA-N 2 1 254.462 3.665 10 0 CHAEMP CCC[NH2+]CCC[C@H](C)[N@@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000052513950 519913065 /nfs/dbraw/zinc/91/30/65/519913065.db2.gz GVEICEDJKYIKQJ-HRCADAONSA-N 2 1 254.462 3.665 10 0 CHAEMP CCC[NH2+]Cc1ccc(C[N@@H+](C)CC(C)(C)C)cc1 ZINC000052570171 519948536 /nfs/dbraw/zinc/94/85/36/519948536.db2.gz GNTVFEWVNOUQKI-UHFFFAOYSA-N 2 1 262.441 3.664 10 0 CHAEMP CCC[NH2+]Cc1ccccc1C[N@@H+](CCC)C(C)C ZINC000052450623 519957010 /nfs/dbraw/zinc/95/70/10/519957010.db2.gz OIYXVIZDNKUAHR-UHFFFAOYSA-N 2 1 262.441 3.807 10 0 CHAEMP CCC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1C[N@@H+](C)C1CC1 ZINC000054559743 520025034 /nfs/dbraw/zinc/02/50/34/520025034.db2.gz ASLVHXXBCZJJSI-BFYDXBDKSA-N 2 1 266.473 3.521 10 0 CHAEMP CCC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1n1cc[nH+]c1C ZINC000054555857 520096820 /nfs/dbraw/zinc/09/68/20/520096820.db2.gz OHQZAEZVFYMKDC-PMPSAXMXSA-N 2 1 263.429 3.557 10 0 CHAEMP CCCC[N@@H+](C)Cc1ccc(C[NH2+]CC(C)C)cc1 ZINC000052418045 520420576 /nfs/dbraw/zinc/42/05/76/520420576.db2.gz IRJKGTOTYGCDKB-UHFFFAOYSA-N 2 1 262.441 3.664 10 0 CHAEMP CCCC[N@@H+](C)Cc1c2ccccc2sc1C[NH3+] ZINC000052417995 520421731 /nfs/dbraw/zinc/42/17/31/520421731.db2.gz MZHOJDRTQJMEAE-UHFFFAOYSA-N 2 1 262.422 3.592 10 0 CHAEMP CC[N@@H+](Cc1cccc(C[NH2+]C(C)(C)C)c1)C1CC1 ZINC000052451881 521340573 /nfs/dbraw/zinc/34/05/73/521340573.db2.gz IUTONZZBWBRQQJ-UHFFFAOYSA-N 2 1 260.425 3.559 10 0 CHAEMP CCC[N@@H+](Cc1ccoc1C[NH2+]C(C)(C)C)C(C)C ZINC000052450636 521692138 /nfs/dbraw/zinc/69/21/38/521692138.db2.gz LMOUCEGFUUULCY-UHFFFAOYSA-N 2 1 266.429 3.788 10 0 CHAEMP C[NH2+]Cc1ccc(C[N@@H+](C)C2CCCCCC2)cc1 ZINC000052482108 522116697 /nfs/dbraw/zinc/11/66/97/522116697.db2.gz HKQGGOQAELHADS-UHFFFAOYSA-N 2 1 260.425 3.561 10 0 CHAEMP C[C@@H]1CCC[N@@H+](Cc2c3ccccc3sc2C[NH3+])C1 ZINC000052381428 524228961 /nfs/dbraw/zinc/22/89/61/524228961.db2.gz WWVAOMWIRQIRIH-GFCCVEGCSA-N 2 1 274.433 3.592 10 0 CHAEMP C[C@@H](C[NH2+]C(C)(C)C)C[N@@H+](C)Cc1cccc(Cl)c1 ZINC000052508017 524734047 /nfs/dbraw/zinc/73/40/47/524734047.db2.gz IPCWRKYGJOQYRG-ZDUSSCGKSA-N 2 1 282.859 3.796 10 0 CHAEMP Cc1ccc(N2CCC([NH2+][C@@H]3CCCC[C@@H]3C)CC2)[nH+]c1 ZINC000163510185 524942695 /nfs/dbraw/zinc/94/26/95/524942695.db2.gz IYFRGVVLHROVNX-DOTOQJQBSA-N 2 1 287.451 3.527 10 0 CHAEMP CCC(CC)[C@@H](C)[N@H+]1CC[C@H](C[NH2+]C(C)(C)C)C1 ZINC000104431819 186000587 /nfs/dbraw/zinc/00/05/87/186000587.db2.gz FQVNBODNWQZTHL-ZIAGYGMSSA-N 2 1 254.462 3.521 10 0 CHAEMP CCC(CC)[C@H](C)[N@H+]1CC[C@H](C[NH2+]C(C)(C)C)C1 ZINC000104431823 186000774 /nfs/dbraw/zinc/00/07/74/186000774.db2.gz FQVNBODNWQZTHL-UONOGXRCSA-N 2 1 254.462 3.521 10 0 CHAEMP CC[C@H](C)C[C@](CC)(C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000020556331 171249879 /nfs/dbraw/zinc/24/98/79/171249879.db2.gz GRJNOFZDHXXMNA-DOTOQJQBSA-N 2 1 262.441 3.662 10 0 CHAEMP C[C@@H](CCc1ccccc1)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000021010329 171286809 /nfs/dbraw/zinc/28/68/09/171286809.db2.gz LRQCXDVTYHKZGG-ROUUACIJSA-N 2 1 288.479 3.862 10 0 CHAEMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCCc2ccccc21 ZINC000021813440 171330944 /nfs/dbraw/zinc/33/09/44/171330944.db2.gz PLIPIFWONCVPSF-QFBILLFUSA-N 2 1 286.463 3.918 10 0 CHAEMP CC(C)C[N@@H+](CCC[C@H]([NH3+])c1ccccc1)C(C)C ZINC000071401917 176153863 /nfs/dbraw/zinc/15/38/63/176153863.db2.gz HQWASTXWPDGWLR-KRWDZBQOSA-N 2 1 262.441 3.833 10 0 CHAEMP Cc1cc[nH+]c(N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000301664134 261339887 /nfs/dbraw/zinc/33/98/87/261339887.db2.gz VUYUOKLOCWPNQN-WMZOPIPTSA-N 2 1 295.430 3.855 10 0 CHAEMP Cc1cc[nH+]c(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000301664134 261339890 /nfs/dbraw/zinc/33/98/90/261339890.db2.gz VUYUOKLOCWPNQN-WMZOPIPTSA-N 2 1 295.430 3.855 10 0 CHAEMP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000157479171 264390365 /nfs/dbraw/zinc/39/03/65/264390365.db2.gz HJLMKFYNAQFXEB-VHSSKADRSA-N 2 1 266.388 3.790 10 0 CHAEMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)C1 ZINC000250699487 334348879 /nfs/dbraw/zinc/34/88/79/334348879.db2.gz NMMNPHPFCPUCTR-OAGGEKHMSA-N 2 1 266.473 3.523 10 0 CHAEMP CC(C)[NH2+]CCCCC[N@H+]1CCc2sccc2[C@@H]1C ZINC000052505552 519720556 /nfs/dbraw/zinc/72/05/56/519720556.db2.gz XFVNPOQJGSDKRM-AWEZNQCLSA-N 2 1 280.481 3.836 10 0 CHAEMP CCC[NH2+]CCCCC[N@@H+](C)[C@H]1CCCC[C@@H]1C ZINC000052546856 519912235 /nfs/dbraw/zinc/91/22/35/519912235.db2.gz SXVSTIFPTYCUCV-HOTGVXAUSA-N 2 1 254.462 3.667 10 0 CHAEMP CCCCC[N@@H+](C[C@@H](C)C[NH2+]C(C)(C)C)C(C)C ZINC000052544754 520175288 /nfs/dbraw/zinc/17/52/88/520175288.db2.gz ODWIIUIHTDDPNI-HNNXBMFYSA-N 2 1 256.478 3.911 10 0 CHAEMP CC(C)[N@@H+](CCC[C@H]1CCCC[NH2+]1)Cc1cccs1 ZINC000050953461 519645048 /nfs/dbraw/zinc/64/50/48/519645048.db2.gz IZAVYVZEEVKTTF-OAHLLOKOSA-N 2 1 280.481 3.881 10 0 CHAEMP CC(C)[NH2+]CC[C@@H](C)[N@@H+](Cc1cccs1)C(C)C ZINC000052545057 519722084 /nfs/dbraw/zinc/72/20/84/519722084.db2.gz HSLPWRWRSUMHMW-CQSZACIVSA-N 2 1 268.470 3.735 10 0 CHAEMP CC(C)[NH2+]Cc1cccc(C[N@@H+](C)[C@H](C)C(C)C)c1 ZINC000052478399 519727266 /nfs/dbraw/zinc/72/72/66/519727266.db2.gz OHJODTZCROUPPT-OAHLLOKOSA-N 2 1 262.441 3.661 10 0 CHAEMP CC(C)[NH2+]Cc1cccc(C[N@@H+](C)[C@@H](C)C(C)C)c1 ZINC000052478400 519727279 /nfs/dbraw/zinc/72/72/79/519727279.db2.gz OHJODTZCROUPPT-HNNXBMFYSA-N 2 1 262.441 3.661 10 0 CHAEMP CC(C)[NH2+]Cc1ccccc1C[N@@H+](C)CC(C)(C)C ZINC000052570208 519727729 /nfs/dbraw/zinc/72/77/29/519727729.db2.gz TVLMWXHRRWZDNR-UHFFFAOYSA-N 2 1 262.441 3.663 10 0 CHAEMP CC[NH2+]CCC[C@@H](C)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000052346371 519920259 /nfs/dbraw/zinc/92/02/59/519920259.db2.gz DCHNHNQXZDRNQU-CYBMUJFWSA-N 2 1 268.832 3.550 10 0 CHAEMP CCC[C@@](C)(C[NH2+]C)C[N@H+](Cc1ccsc1)C1CC1 ZINC000051253207 520908927 /nfs/dbraw/zinc/90/89/27/520908927.db2.gz BXRXSNDPQBPAGN-INIZCTEOSA-N 2 1 280.481 3.738 10 0 CHAEMP CCC[C@@](C)(C[NH2+]C)C[N@@H+](Cc1ccsc1)C1CC1 ZINC000051253207 520908932 /nfs/dbraw/zinc/90/89/32/520908932.db2.gz BXRXSNDPQBPAGN-INIZCTEOSA-N 2 1 280.481 3.738 10 0 CHAEMP CC[N@@H+](Cc1c2ccccc2sc1C[NH2+]C)C(C)C ZINC000052446519 521280805 /nfs/dbraw/zinc/28/08/05/521280805.db2.gz LUCXPTNCSRIHFR-UHFFFAOYSA-N 2 1 276.449 3.851 10 0 CHAEMP CC[N@@H+](Cc1ccccc1)[C@@H](C)CC[NH2+]C(C)(C)C ZINC000052443838 521374514 /nfs/dbraw/zinc/37/45/14/521374514.db2.gz DXCPXYQQIQHMTA-HNNXBMFYSA-N 2 1 262.441 3.675 10 0 CHAEMP CCC[N@H+](C(C)C)[C@@H](C[NH2+]C(C)C)c1ccccc1 ZINC000052450650 521451816 /nfs/dbraw/zinc/45/18/16/521451816.db2.gz JXQVCQKTSBEFEK-KRWDZBQOSA-N 2 1 262.441 3.846 10 0 CHAEMP CCC[N@@H+](C(C)C)[C@@H](C[NH2+]C(C)C)c1ccccc1 ZINC000052450650 521451828 /nfs/dbraw/zinc/45/18/28/521451828.db2.gz JXQVCQKTSBEFEK-KRWDZBQOSA-N 2 1 262.441 3.846 10 0 CHAEMP CC[C@H]([NH3+])[C@H](c1sccc1C)[NH+]1CCC(C)(C)CC1 ZINC000061818483 522346695 /nfs/dbraw/zinc/34/66/95/522346695.db2.gz VSDBSRNBNWPCMY-UONOGXRCSA-N 2 1 280.481 3.957 10 0 CHAEMP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C)C1)c1cccs1 ZINC000049529330 522691534 /nfs/dbraw/zinc/69/15/34/522691534.db2.gz RRQMZSLJLZZCED-MJBXVCDLSA-N 2 1 266.454 3.519 10 0 CHAEMP CC[C@H](C)[N@@H+](C)Cc1cc(C)c(C[NH2+]C(C)(C)C)o1 ZINC000052444353 523922984 /nfs/dbraw/zinc/92/29/84/523922984.db2.gz MIHRVQSHQINJSJ-ZDUSSCGKSA-N 2 1 266.429 3.706 10 0 CHAEMP C[C@@H](C[NH2+]C(C)(C)C)C[N@H+](Cc1cccs1)C1CC1 ZINC000052370653 524733861 /nfs/dbraw/zinc/73/38/61/524733861.db2.gz RGLNEOOEOBXARQ-ZDUSSCGKSA-N 2 1 280.481 3.737 10 0 CHAEMP C[C@@H](C[NH2+]C(C)(C)C)C[N@@H+](Cc1cccs1)C1CC1 ZINC000052370653 524733866 /nfs/dbraw/zinc/73/38/66/524733866.db2.gz RGLNEOOEOBXARQ-ZDUSSCGKSA-N 2 1 280.481 3.737 10 0 CHAEMP Cc1ccc(N2CCC([NH2+][C@@H](C)C3CCCC3)CC2)[nH+]c1 ZINC000163530384 524943002 /nfs/dbraw/zinc/94/30/02/524943002.db2.gz TZXLNJCRIAGDRX-HNNXBMFYSA-N 2 1 287.451 3.527 10 0 CHAEMP CCC(C)(C)C1CCC2(CC1)[C@H]([NH3+])CC[N@H+]2C(C)C ZINC000712012440 567836807 /nfs/dbraw/zinc/83/68/07/567836807.db2.gz NRLHFVAKPXFJQH-ISXOHVOVSA-N 2 1 266.473 3.793 10 0 CHAEMP CC[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000021518300 171314471 /nfs/dbraw/zinc/31/44/71/171314471.db2.gz KUWAPMXHHBRRHO-FUHWJXTLSA-N 2 1 274.452 3.992 10 0 CHAEMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000037220189 173037906 /nfs/dbraw/zinc/03/79/06/173037906.db2.gz KVYKLFJHDWFYKU-VNHYZAJKSA-N 2 1 280.843 3.721 10 0 CHAEMP CC(C)(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000228471392 262339159 /nfs/dbraw/zinc/33/91/59/262339159.db2.gz WGRMGIZYUSHIOQ-CGTJXYLNSA-N 2 1 286.463 3.543 10 0 CHAEMP C[C@@H](c1ccc2ccccc2c1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000093873103 327145913 /nfs/dbraw/zinc/14/59/13/327145913.db2.gz SDDGSTUYRLYKRL-AWEZNQCLSA-N 2 1 270.420 3.818 10 0 CHAEMP C[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171640848 329075053 /nfs/dbraw/zinc/07/50/53/329075053.db2.gz QJMLLXXZYNPHJG-LSDHHAIUSA-N 2 1 299.393 3.716 10 0 CHAEMP Cc1cccc(N2CCC([NH2+][C@@H]3CCC34CCCC4)CC2)[nH+]1 ZINC000189126813 329378027 /nfs/dbraw/zinc/37/80/27/329378027.db2.gz GQVCNLZQEICKGM-QGZVFWFLSA-N 2 1 299.462 3.671 10 0 CHAEMP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000106868970 330341462 /nfs/dbraw/zinc/34/14/62/330341462.db2.gz MSXQQNWEAYGVIE-DUQPFJRNSA-N 2 1 278.484 3.664 10 0 CHAEMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)C1 ZINC000252439318 334380159 /nfs/dbraw/zinc/38/01/59/334380159.db2.gz NBMVVSFIRNESEE-BZUAXINKSA-N 2 1 266.473 3.523 10 0 CHAEMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)C1 ZINC000252439320 334380231 /nfs/dbraw/zinc/38/02/31/334380231.db2.gz NBMVVSFIRNESEE-PMPSAXMXSA-N 2 1 266.473 3.523 10 0 CHAEMP CC(C)C[N@@H+](C(C)C)[C@@H](C)CCC[NH2+]C(C)(C)C ZINC000052572632 519707794 /nfs/dbraw/zinc/70/77/94/519707794.db2.gz KOOFWGZMXWBHGB-HNNXBMFYSA-N 2 1 256.478 3.910 10 0 CHAEMP CCCCC[N@H+](C)Cc1csc(C[NH2+]CC(C)C)n1 ZINC000052454567 520151157 /nfs/dbraw/zinc/15/11/57/520151157.db2.gz KJEMQQJVDAXZRA-UHFFFAOYSA-N 2 1 283.485 3.511 10 0 CHAEMP CCCCC[N@@H+](C)Cc1csc(C[NH2+]CC(C)C)n1 ZINC000052454567 520151168 /nfs/dbraw/zinc/15/11/68/520151168.db2.gz KJEMQQJVDAXZRA-UHFFFAOYSA-N 2 1 283.485 3.511 10 0 CHAEMP CC[C@@H](C)[N@@H+](C)Cc1cc(C)c(C[NH2+]C(C)(C)C)o1 ZINC000052444352 522063965 /nfs/dbraw/zinc/06/39/65/522063965.db2.gz MIHRVQSHQINJSJ-CYBMUJFWSA-N 2 1 266.429 3.706 10 0 CHAEMP CC(C)(C)[NH2+]CCCC[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000052482445 518755681 /nfs/dbraw/zinc/75/56/81/518755681.db2.gz CJPKZMRLYQPQNR-HOTGVXAUSA-N 2 1 266.473 3.809 10 0 CHAEMP CC(C)C[NH2+]CCCCC[N@@H+](C)CC1CCCCC1 ZINC000052346810 519743311 /nfs/dbraw/zinc/74/33/11/519743311.db2.gz KYYQWWVGUSPVTO-UHFFFAOYSA-N 2 1 268.489 3.914 10 0 CHAEMP CC(C)C[NH2+]CC[C@@H](C)[N@@H+](C)C1CCC(C)CC1 ZINC000052345496 519744239 /nfs/dbraw/zinc/74/42/39/519744239.db2.gz MPXNBRKEAHVEEU-HWOWSKLDSA-N 2 1 254.462 3.521 10 0 CHAEMP CC(C)[C@@H](C[NH2+]C1CC1)[N@H+](Cc1cccs1)C(C)C ZINC000052544906 519794776 /nfs/dbraw/zinc/79/47/76/519794776.db2.gz PGVSEDJMQOBWLQ-MRXNPFEDSA-N 2 1 280.481 3.735 10 0 CHAEMP CC(C)[C@@H](C[NH2+]C1CC1)[N@@H+](Cc1cccs1)C(C)C ZINC000052544906 519794777 /nfs/dbraw/zinc/79/47/77/519794777.db2.gz PGVSEDJMQOBWLQ-MRXNPFEDSA-N 2 1 280.481 3.735 10 0 CHAEMP CC(C)[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2)CCC[NH2+]1 ZINC000062705207 519826840 /nfs/dbraw/zinc/82/68/40/519826840.db2.gz FBLCACILIRKVCC-GOSISDBHSA-N 2 1 288.479 3.804 10 0 CHAEMP CCC1CCC([N@@H+](C)C[C@H](C)C[NH2+]C(C)(C)C)CC1 ZINC000052345553 519853477 /nfs/dbraw/zinc/85/34/77/519853477.db2.gz URCHLGTYRZPFER-QQFBHYJXSA-N 2 1 268.489 3.911 10 0 CHAEMP CCC[NH2+]Cc1ccc(C[N@@H+](C)C(CC)CC)cc1 ZINC000052478199 519948601 /nfs/dbraw/zinc/94/86/01/519948601.db2.gz VHVDWNJRVRYETE-UHFFFAOYSA-N 2 1 262.441 3.807 10 0 CHAEMP CC[NH2+]Cc1occc1C[N@@H+](CC)C1CCCCC1 ZINC000052420066 520030406 /nfs/dbraw/zinc/03/04/06/520030406.db2.gz GLVYGMQYMVAQKB-UHFFFAOYSA-N 2 1 264.413 3.544 10 0 CHAEMP CC[N@@H+](Cc1cc(C)c(C[NH2+]C(C)(C)C)o1)C(C)C ZINC000052447151 521287624 /nfs/dbraw/zinc/28/76/24/521287624.db2.gz MUSBHIPXDUUTJI-UHFFFAOYSA-N 2 1 266.429 3.706 10 0 CHAEMP CC[N@@H+](Cc1cccc(C[NH2+]C)c1)C1CCCCC1 ZINC000052420034 521341453 /nfs/dbraw/zinc/34/14/53/521341453.db2.gz UBDGFRLLKAMABU-UHFFFAOYSA-N 2 1 260.425 3.561 10 0 CHAEMP C[N@@H+](CCCCC[NH2+]C(C)(C)C)C1CCCCC1 ZINC000052419371 522728510 /nfs/dbraw/zinc/72/85/10/522728510.db2.gz CWJURELFYRRXEV-UHFFFAOYSA-N 2 1 254.462 3.809 10 0 CHAEMP CC[C@H](C)[N@@H+](C)Cc1c(C[NH3+])sc2cccc(F)c21 ZINC000052444111 523923384 /nfs/dbraw/zinc/92/33/84/523923384.db2.gz BJRHBYBXFDSVOH-JTQLQIEISA-N 2 1 280.412 3.729 10 0 CHAEMP C[C@@H](CCC[NH2+]C(C)(C)C)[N@H+]1CCC[C@@H](C)[C@H]1C ZINC000052373418 524456165 /nfs/dbraw/zinc/45/61/65/524456165.db2.gz WVRGNVUEOCVWPD-QLFBSQMISA-N 2 1 254.462 3.664 10 0 CHAEMP CC(C)=CC[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000192318186 1125332871 /nfs/dbraw/zinc/33/28/71/1125332871.db2.gz FHYKNVYLLGLPKL-ZBFHGGJFSA-N 2 1 278.465 3.687 10 0 CHAEMP CC(C)=CC[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000192318186 1125332874 /nfs/dbraw/zinc/33/28/74/1125332874.db2.gz FHYKNVYLLGLPKL-ZBFHGGJFSA-N 2 1 278.465 3.687 10 0 CHAEMP CCC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+]CC2(C)CCCC2)C1 ZINC000104447449 186006180 /nfs/dbraw/zinc/00/61/80/186006180.db2.gz KBNJIRPJEHOCCQ-HZPDHXFCSA-N 2 1 266.473 3.667 10 0 CHAEMP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@@H](C(C)C)[NH+]1CCCC1 ZINC000020550303 171246902 /nfs/dbraw/zinc/24/69/02/171246902.db2.gz GDCQZOIIUMBYIG-BBWFWOEESA-N 2 1 268.489 3.911 10 0 CHAEMP CCCCC[C@@H](C)[NH2+]C[C@H](C(C)C)[NH+]1CCCC1 ZINC000020551121 171247166 /nfs/dbraw/zinc/24/71/66/171247166.db2.gz HIQRISUDZAVPTN-HZPDHXFCSA-N 2 1 254.462 3.665 10 0 CHAEMP C[C@H]1CC(C)(C)C[C@@](C[NH3+])([N@H+]2CCc3ccccc3C2)C1 ZINC000020552829 171248391 /nfs/dbraw/zinc/24/83/91/171248391.db2.gz LNLOQXIKTZDOKA-KXBFYZLASA-N 2 1 286.463 3.588 10 0 CHAEMP Cc1[nH+]ccn1C[C@H]([NH3+])c1ccc(-c2ccccc2)cc1 ZINC000038827585 174156198 /nfs/dbraw/zinc/15/61/98/174156198.db2.gz BWXXBIUNIMYBCU-SFHVURJKSA-N 2 1 277.371 3.559 10 0 CHAEMP CC(C)C[N@@H+](CCC[C@@H]([NH3+])c1ccccc1)C(C)C ZINC000071401918 176153788 /nfs/dbraw/zinc/15/37/88/176153788.db2.gz HQWASTXWPDGWLR-QGZVFWFLSA-N 2 1 262.441 3.833 10 0 CHAEMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc21 ZINC000251989405 334372614 /nfs/dbraw/zinc/37/26/14/334372614.db2.gz ZERXMOYVNBOSDR-OLMMMNRUSA-N 2 1 284.447 3.841 10 0 CHAEMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC1CCC(C(C)(C)C)CC1 ZINC000135424313 334129322 /nfs/dbraw/zinc/12/93/22/334129322.db2.gz VTXFSNGSRWRDCW-JWMHWRSXSA-N 2 1 266.473 3.508 10 0 CHAEMP CC[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)C1 ZINC000080459207 334171951 /nfs/dbraw/zinc/17/19/51/334171951.db2.gz PSCXLKQXHQADDZ-HZPDHXFCSA-N 2 1 266.473 3.809 10 0 CHAEMP CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000252419973 334379338 /nfs/dbraw/zinc/37/93/38/334379338.db2.gz XBNCOFTXYQOTFJ-ZWRZTWNMSA-N 2 1 278.484 3.662 10 0 CHAEMP CC(C)(C)CC(C)(C)[NH2+]C[C@](C)([NH3+])c1ccccc1 ZINC000052883610 518628915 /nfs/dbraw/zinc/62/89/15/518628915.db2.gz TVQQKZNYQQTNFW-KRWDZBQOSA-N 2 1 262.441 3.665 10 0 CHAEMP CC(C)CC[N@@H+](C)Cc1cc(C[NH2+]CC(C)C)co1 ZINC000052545904 519650524 /nfs/dbraw/zinc/65/05/24/519650524.db2.gz APCBUJJNLLOIRJ-UHFFFAOYSA-N 2 1 266.429 3.503 10 0 CHAEMP CC(C)C[NH2+]Cc1ccc(C[N@@H+](C)[C@H](C)C(C)C)o1 ZINC000052478450 519747070 /nfs/dbraw/zinc/74/70/70/519747070.db2.gz CKIFFFLFPVSVCN-CQSZACIVSA-N 2 1 266.429 3.502 10 0 CHAEMP CCC[NH2+]Cc1cc(C[N@@H+](C)[C@H](C)C(C)C)oc1C ZINC000052478428 519945545 /nfs/dbraw/zinc/94/55/45/519945545.db2.gz CNFSOSVXMORTCT-CYBMUJFWSA-N 2 1 266.429 3.564 10 0 CHAEMP CCCC[C@@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](CCC)C1 ZINC000050887323 521011958 /nfs/dbraw/zinc/01/19/58/521011958.db2.gz REZHNJXDHFTEIE-BZUAXINKSA-N 2 1 254.462 3.665 10 0 CHAEMP CCC(CC)C[N@@H+](CC)C[C@@H](C)C[NH2+]C(C)(C)C ZINC000052540631 521519697 /nfs/dbraw/zinc/51/96/97/521519697.db2.gz KEGZHOFXCOQUFU-AWEZNQCLSA-N 2 1 256.478 3.769 10 0 CHAEMP CCC(CC)[N@@H+](C)Cc1occc1C[NH2+]C(C)(C)C ZINC000052478037 521542210 /nfs/dbraw/zinc/54/22/10/521542210.db2.gz RZFRIHPNTSHDMN-UHFFFAOYSA-N 2 1 266.429 3.788 10 0 CHAEMP CCC(CC)[N@@H+](C)C[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH3+] ZINC000054559897 521542515 /nfs/dbraw/zinc/54/25/15/521542515.db2.gz BLFGQYRLWJFYLC-YCPHGPKFSA-N 2 1 254.462 3.506 10 0 CHAEMP C[N@@H+](CCC[C@@H]1CCCC[NH2+]1)Cc1ccc(Cl)s1 ZINC000050953317 522786995 /nfs/dbraw/zinc/78/69/95/522786995.db2.gz VDPFKCPFAINPCY-LBPRGKRZSA-N 2 1 286.872 3.756 10 0 CHAEMP Cc1ccc(C[N@H+](C)[C@H](C)CC[NH2+]C(C)(C)C)cc1 ZINC000052424786 524401880 /nfs/dbraw/zinc/40/18/80/524401880.db2.gz BHRGXFRCGWJTIA-OAHLLOKOSA-N 2 1 262.441 3.594 10 0 CHAEMP Cc1ccc(N2CCC([NH2+][C@@H]3CCCC[C@H]3C)CC2)[nH+]c1 ZINC000163510352 524941567 /nfs/dbraw/zinc/94/15/67/524941567.db2.gz IYFRGVVLHROVNX-NVXWUHKLSA-N 2 1 287.451 3.527 10 0 CHAEMP CC(C)=CC[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000192318181 1125332981 /nfs/dbraw/zinc/33/29/81/1125332981.db2.gz FHYKNVYLLGLPKL-HOCLYGCPSA-N 2 1 278.465 3.687 10 0 CHAEMP CC(C)=CC[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000192318181 1125332982 /nfs/dbraw/zinc/33/29/82/1125332982.db2.gz FHYKNVYLLGLPKL-HOCLYGCPSA-N 2 1 278.465 3.687 10 0 CHAEMP CCCCC[C@H](C)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000021055468 171295543 /nfs/dbraw/zinc/29/55/43/171295543.db2.gz XWNCOVFIPCXJEU-HNNXBMFYSA-N 2 1 254.462 3.809 10 0 CHAEMP CC(C)[NH+](CC[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)C(C)C ZINC000021788809 171323164 /nfs/dbraw/zinc/32/31/64/171323164.db2.gz GTUPWGGTHRMTGK-CVEARBPZSA-N 2 1 268.489 3.910 10 0 CHAEMP CC(C)[C@H](C[NH2+]C1[C@H](C)CCC[C@@H]1C)[NH+]1CCCC1 ZINC000021815991 171332648 /nfs/dbraw/zinc/33/26/48/171332648.db2.gz QPKOHMROELBOMG-TVXGVJEUSA-N 2 1 266.473 3.521 10 0 CHAEMP C[C@@H]1CCC[C@@H](C)C1[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000021818482 171333631 /nfs/dbraw/zinc/33/36/31/171333631.db2.gz OWNYPJGEJVWEOT-OAGGEKHMSA-N 2 1 266.473 3.665 10 0 CHAEMP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000037220192 173038274 /nfs/dbraw/zinc/03/82/74/173038274.db2.gz KVYKLFJHDWFYKU-UMVBOHGHSA-N 2 1 280.843 3.721 10 0 CHAEMP CC(C)=CC[NH+]1CCC([NH2+][C@H](C)c2cccs2)CC1 ZINC000037235328 173053446 /nfs/dbraw/zinc/05/34/46/173053446.db2.gz LUCGKABLEPZKHO-CQSZACIVSA-N 2 1 278.465 3.829 10 0 CHAEMP CCC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+]CCCC(C)C)C1 ZINC000038093580 174107448 /nfs/dbraw/zinc/10/74/48/174107448.db2.gz SPOUNXKJVPBDDH-HZPDHXFCSA-N 2 1 254.462 3.523 10 0 CHAEMP Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCC[N@H+]2C)cc1F ZINC000094955366 265278804 /nfs/dbraw/zinc/27/88/04/265278804.db2.gz JVRMJRNIYQRYIZ-GDBMZVCRSA-N 2 1 278.415 3.659 10 0 CHAEMP Cc1ccccc1[C@@H](C)[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000049856246 328380389 /nfs/dbraw/zinc/38/03/89/328380389.db2.gz PPODYTVMVVTOTQ-CVEARBPZSA-N 2 1 260.425 3.520 10 0 CHAEMP CC(C)c1ccc([C@H](C)[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261732242 327080481 /nfs/dbraw/zinc/08/04/81/327080481.db2.gz LFRLWFWYGVAEBZ-WMLDXEAASA-N 2 1 274.452 3.930 10 0 CHAEMP CC(C)c1ccc([C@@H](C)[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261732239 327080537 /nfs/dbraw/zinc/08/05/37/327080537.db2.gz LFRLWFWYGVAEBZ-PBHICJAKSA-N 2 1 274.452 3.930 10 0 CHAEMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC1CCC(C(C)(C)C)CC1 ZINC000135424333 334129366 /nfs/dbraw/zinc/12/93/66/334129366.db2.gz VTXFSNGSRWRDCW-CIDNJEQPSA-N 2 1 266.473 3.508 10 0 CHAEMP CC[C@@H]1CC[C@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)C1 ZINC000080426609 334171264 /nfs/dbraw/zinc/17/12/64/334171264.db2.gz URIXOZXEBNSAFL-AEFFLSMTSA-N 2 1 274.452 3.677 10 0 CHAEMP CCC(CC)[C@H](C[NH2+][C@H]1CC[C@@H](CC)C1)[NH+](C)C ZINC000080429101 334171392 /nfs/dbraw/zinc/17/13/92/334171392.db2.gz XUMNSQROPSIZLE-KBMXLJTQSA-N 2 1 254.462 3.521 10 0 CHAEMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(C)c1 ZINC000251142775 334357182 /nfs/dbraw/zinc/35/71/82/334357182.db2.gz DLTXSKYDPJPSAN-BBWFWOEESA-N 2 1 272.436 3.581 10 0 CHAEMP CC(C)(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)s1 ZINC000252842704 334396364 /nfs/dbraw/zinc/39/63/64/334396364.db2.gz CSPNJQHDAOWLED-QEJZJMRPSA-N 2 1 292.492 3.605 10 0 CHAEMP CC(C)C[NH2+]CCC[C@@H](C)[N@@H+](C)C1CCC(C)CC1 ZINC000052345436 519743566 /nfs/dbraw/zinc/74/35/66/519743566.db2.gz BGZSPNHRDYMQQR-AQFXKWCLSA-N 2 1 268.489 3.911 10 0 CHAEMP CCC[NH2+]CCCCC[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000052546855 519911992 /nfs/dbraw/zinc/91/19/92/519911992.db2.gz SXVSTIFPTYCUCV-JKSUJKDBSA-N 2 1 254.462 3.667 10 0 CHAEMP CCC[NH2+]C[C@H](c1ccccc1)[N@H+](C)[C@@H](C)C(C)C ZINC000052478672 519933976 /nfs/dbraw/zinc/93/39/76/519933976.db2.gz ROVOMZONPOZQMV-DOTOQJQBSA-N 2 1 262.441 3.704 10 0 CHAEMP CCC[NH2+]C[C@H](c1ccccc1)[N@@H+](C)[C@@H](C)C(C)C ZINC000052478672 519933985 /nfs/dbraw/zinc/93/39/85/519933985.db2.gz ROVOMZONPOZQMV-DOTOQJQBSA-N 2 1 262.441 3.704 10 0 CHAEMP CC[NH2+]Cc1ccccc1C[N@@H+](CC)C1CCCC1 ZINC000052475611 520006677 /nfs/dbraw/zinc/00/66/77/520006677.db2.gz LQGMZBQVCIDGDS-UHFFFAOYSA-N 2 1 260.425 3.561 10 0 CHAEMP CC(C)C1CCC([NH2+]CCCC[N@@H+](C)C(C)C)CC1 ZINC000054556648 519566867 /nfs/dbraw/zinc/56/68/67/519566867.db2.gz TVLSOGZMTLDQFO-UHFFFAOYSA-N 2 1 268.489 3.911 10 0 CHAEMP CC(C)[NH2+]CCCCC[N@@H+](C)C1CCCCCC1 ZINC000052482104 519720652 /nfs/dbraw/zinc/72/06/52/519720652.db2.gz KWIDZHONESOENJ-UHFFFAOYSA-N 2 1 254.462 3.809 10 0 CHAEMP CCCCC[N@@H+](C)Cc1ccccc1C[NH2+]CCC ZINC000052454952 520152942 /nfs/dbraw/zinc/15/29/42/520152942.db2.gz ONCUBQYXQKEVRG-UHFFFAOYSA-N 2 1 262.441 3.808 10 0 CHAEMP CCC(CC)[N@@H+](C)Cc1ccccc1C[NH2+]C1CC1 ZINC000052478243 521542020 /nfs/dbraw/zinc/54/20/20/521542020.db2.gz ZMABUZVFMZCXAW-UHFFFAOYSA-N 2 1 260.425 3.559 10 0 CHAEMP CC[C@@H]1CCC[N@@H+](CCCCC[NH2+]C(C)(C)C)C1 ZINC000052479843 523251197 /nfs/dbraw/zinc/25/11/97/523251197.db2.gz KCDWVFXKNGWMJV-OAHLLOKOSA-N 2 1 254.462 3.667 10 0 CHAEMP CC[C@H](C)[N@@H+](CC)Cc1cc(C[NH2+]C(C)(C)C)co1 ZINC000052451348 523934918 /nfs/dbraw/zinc/93/49/18/523934918.db2.gz UILWTGOZEIBYLC-ZDUSSCGKSA-N 2 1 266.429 3.788 10 0 CHAEMP Cc1cccc(C[N@H+](C)[C@H](C)CC[NH2+]C(C)(C)C)c1 ZINC000052346075 524379752 /nfs/dbraw/zinc/37/97/52/524379752.db2.gz VUWUIGCHZGGZJI-OAHLLOKOSA-N 2 1 262.441 3.594 10 0 CHAEMP Cc1ccc(C[N@H+](C)[C@@H](C)CC[NH2+]C(C)(C)C)cc1 ZINC000052424784 524398949 /nfs/dbraw/zinc/39/89/49/524398949.db2.gz BHRGXFRCGWJTIA-HNNXBMFYSA-N 2 1 262.441 3.594 10 0 CHAEMP Cc1ccccc1C[N@H+](C)[C@H](C)CC[NH2+]C(C)(C)C ZINC000052547160 525129637 /nfs/dbraw/zinc/12/96/37/525129637.db2.gz UZVMWWBEDYKJMC-OAHLLOKOSA-N 2 1 262.441 3.594 10 0 CHAEMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000130206588 525946186 /nfs/dbraw/zinc/94/61/86/525946186.db2.gz DLTXSKYDPJPSAN-YESZJQIVSA-N 2 1 272.436 3.581 10 0 CHAEMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070171450 260153289 /nfs/dbraw/zinc/15/32/89/260153289.db2.gz TUFFKCDQAILSQG-IVMMDQJWSA-N 2 1 280.843 3.850 10 0 CHAEMP CCC[N@H+]1CCC[C@H]([C@@H](C)[NH2+]CC2(C)CCCC2)C1 ZINC000104447445 186006300 /nfs/dbraw/zinc/00/63/00/186006300.db2.gz KBNJIRPJEHOCCQ-CVEARBPZSA-N 2 1 266.473 3.667 10 0 CHAEMP CCCCC[C@@H](C)[NH2+]C[C@@H](C(CC)CC)[NH+](C)C ZINC000021040113 171293406 /nfs/dbraw/zinc/29/34/06/171293406.db2.gz ILBOEMIUPDTXDR-ZBFHGGJFSA-N 2 1 256.478 3.911 10 0 CHAEMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCCc2ccccc21 ZINC000021813439 171330937 /nfs/dbraw/zinc/33/09/37/171330937.db2.gz PLIPIFWONCVPSF-VQIMIIECSA-N 2 1 286.463 3.918 10 0 CHAEMP C[C@H]1CC(C)(C)C[C@](C[NH3+])([N@H+](C)Cc2cccs2)C1 ZINC000035717217 172371422 /nfs/dbraw/zinc/37/14/22/172371422.db2.gz WGICFRHCUJGLFN-XJKSGUPXSA-N 2 1 280.481 3.724 10 0 CHAEMP C[C@H]1CC(C)(C)C[C@](C[NH3+])([N@@H+](C)Cc2cccs2)C1 ZINC000035717217 172371424 /nfs/dbraw/zinc/37/14/24/172371424.db2.gz WGICFRHCUJGLFN-XJKSGUPXSA-N 2 1 280.481 3.724 10 0 CHAEMP C[N@@H+](CCC[C@H]([NH3+])c1ccccc1)Cc1ccsc1 ZINC000071401691 176154113 /nfs/dbraw/zinc/15/41/13/176154113.db2.gz GGNNJMMUOYTFBI-INIZCTEOSA-N 2 1 274.433 3.660 10 0 CHAEMP CCCn1ccc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)c1 ZINC000091012563 260264683 /nfs/dbraw/zinc/26/46/83/260264683.db2.gz CWDDUEXFPQNAIO-UHFFFAOYSA-N 2 1 291.483 3.642 10 0 CHAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCCc1ccccc1C ZINC000175911850 261252533 /nfs/dbraw/zinc/25/25/33/261252533.db2.gz DWXNZDLDWATYDZ-LJQANCHMSA-N 2 1 297.446 3.597 10 0 CHAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCCc1ccccc1C ZINC000175911850 261252535 /nfs/dbraw/zinc/25/25/35/261252535.db2.gz DWXNZDLDWATYDZ-LJQANCHMSA-N 2 1 297.446 3.597 10 0 CHAEMP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)c2ccc(C(C)(C)C)cc2)C1 ZINC000040593067 328013731 /nfs/dbraw/zinc/01/37/31/328013731.db2.gz JOOQYDVCIVPLTJ-HZPDHXFCSA-N 2 1 288.479 3.977 10 0 CHAEMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3c(Cl)cccc3Cl)C[C@@H]21 ZINC000230045671 333312552 /nfs/dbraw/zinc/31/25/52/333312552.db2.gz FNWJDQXTFDMRIB-JRPNMDOOSA-N 2 1 299.245 3.553 10 0 CHAEMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3c(Cl)cccc3Cl)C[C@@H]21 ZINC000230045671 333312553 /nfs/dbraw/zinc/31/25/53/333312553.db2.gz FNWJDQXTFDMRIB-JRPNMDOOSA-N 2 1 299.245 3.553 10 0 CHAEMP CC(C)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1Cl ZINC000091335717 334376429 /nfs/dbraw/zinc/37/64/29/334376429.db2.gz PYKXMUYGXVAXJC-YOEHRIQHSA-N 2 1 294.870 3.969 10 0 CHAEMP CC1(C)CC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000381894221 336076262 /nfs/dbraw/zinc/07/62/62/336076262.db2.gz FTETWKFSRSQAJN-MANSERQUSA-N 2 1 298.474 3.675 10 0 CHAEMP CCC[NH2+]CCC[C@H](C)[N@@H+](CC)CC(CC)CC ZINC000052540705 519913239 /nfs/dbraw/zinc/91/32/39/519913239.db2.gz YMEYZVUCVOPUHX-HNNXBMFYSA-N 2 1 256.478 3.913 10 0 CHAEMP CCCCC[N@@H+](C)Cc1oc2ccccc2c1C[NH3+] ZINC000052454826 520153415 /nfs/dbraw/zinc/15/34/15/520153415.db2.gz GDVWRTQVGNILRN-UHFFFAOYSA-N 2 1 260.381 3.514 10 0 CHAEMP CCC(CC)C[N@H+](CC)[C@H](C[NH2+]C)c1ccccc1 ZINC000052540750 521523936 /nfs/dbraw/zinc/52/39/36/521523936.db2.gz DUGSARUKGOXWPQ-QGZVFWFLSA-N 2 1 262.441 3.705 10 0 CHAEMP CCC(CC)C[N@@H+](CC)[C@H](C[NH2+]C)c1ccccc1 ZINC000052540750 521523944 /nfs/dbraw/zinc/52/39/44/521523944.db2.gz DUGSARUKGOXWPQ-QGZVFWFLSA-N 2 1 262.441 3.705 10 0 CHAEMP CC(C)(C)c1ccc(C[N@H+]2CCC[NH2+]C(C)(C)C2)cc1 ZINC000062668338 519026855 /nfs/dbraw/zinc/02/68/55/519026855.db2.gz SNXIDHVVMIDAHB-UHFFFAOYSA-N 2 1 274.452 3.558 10 0 CHAEMP CC(C)[NH2+]Cc1cccc(C[N@H+]2CCCC[C@H]2C)c1 ZINC000052378624 519727361 /nfs/dbraw/zinc/72/73/61/519727361.db2.gz NVNQRUMQLJDTMW-OAHLLOKOSA-N 2 1 260.425 3.559 10 0 CHAEMP CCC[NH2+][C@H]1CCCC[C@@H]1C[N@@H+](CC)C1CCCC1 ZINC000053858159 520092910 /nfs/dbraw/zinc/09/29/10/520092910.db2.gz FSDOTFNNFJIJML-WBVHZDCISA-N 2 1 266.473 3.809 10 0 CHAEMP CCC[NH2+][C@H]1CC[N@H+]([C@@H](C)C2CCCCC2)C[C@@H]1C ZINC000052340339 520094529 /nfs/dbraw/zinc/09/45/29/520094529.db2.gz GXRANKNCRSTYHH-ZOBUZTSGSA-N 2 1 266.473 3.665 10 0 CHAEMP C[C@H]1CCCC[C@@H]1[N@@H+](C)CCCC[NH2+]C(C)(C)C ZINC000052546516 526256120 /nfs/dbraw/zinc/25/61/20/526256120.db2.gz GQYRMVWTWZMJTI-GJZGRUSLSA-N 2 1 254.462 3.665 10 0 CHAEMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccc2ccccc2c1 ZINC000070148757 527191767 /nfs/dbraw/zinc/19/17/67/527191767.db2.gz FDDZQAASNUQMSL-SFHVURJKSA-N 2 1 268.404 3.543 10 0 CHAEMP CC[C@@H]([NH3+])[C@@H](c1ccc(C)s1)[NH+]1CCC(C)(C)CC1 ZINC000061818354 522649844 /nfs/dbraw/zinc/64/98/44/522649844.db2.gz RARGXZLIJZWFIY-HIFRSBDPSA-N 2 1 280.481 3.957 10 0 CHAEMP CC[C@@H](C)C[C@](CC)(C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000021814385 171331639 /nfs/dbraw/zinc/33/16/39/171331639.db2.gz HSSWDHIDKXJORU-CRAIPNDOSA-N 2 1 274.452 3.588 10 0 CHAEMP C[C@H]1CC(C)(C)C[C@@](C[NH3+])([N@H+](C)Cc2cccs2)C1 ZINC000035717213 172371149 /nfs/dbraw/zinc/37/11/49/172371149.db2.gz WGICFRHCUJGLFN-BBRMVZONSA-N 2 1 280.481 3.724 10 0 CHAEMP C[C@H]1CC(C)(C)C[C@@](C[NH3+])([N@@H+](C)Cc2cccs2)C1 ZINC000035717213 172371152 /nfs/dbraw/zinc/37/11/52/172371152.db2.gz WGICFRHCUJGLFN-BBRMVZONSA-N 2 1 280.481 3.724 10 0 CHAEMP C[N@H+](Cc1cccs1)C1(C[NH3+])CCCCCCC1 ZINC000035717185 172371483 /nfs/dbraw/zinc/37/14/83/172371483.db2.gz KNDDXNDKUGTVLE-UHFFFAOYSA-N 2 1 266.454 3.622 10 0 CHAEMP C[N@@H+](Cc1cccs1)C1(C[NH3+])CCCCCCC1 ZINC000035717185 172371485 /nfs/dbraw/zinc/37/14/85/172371485.db2.gz KNDDXNDKUGTVLE-UHFFFAOYSA-N 2 1 266.454 3.622 10 0 CHAEMP Cc1ccc([C@H](C)[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)o1 ZINC000093515056 260290363 /nfs/dbraw/zinc/29/03/63/260290363.db2.gz WAJGXICZEYNPMR-QEJZJMRPSA-N 2 1 264.413 3.549 10 0 CHAEMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(Cl)ccc3Cl)C[C@H]21 ZINC000228471236 262339127 /nfs/dbraw/zinc/33/91/27/262339127.db2.gz AZKJYZSBSYDKBM-PSOPSSQASA-N 2 1 299.245 3.553 10 0 CHAEMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(Cl)ccc3Cl)C[C@H]21 ZINC000228471236 262339129 /nfs/dbraw/zinc/33/91/29/262339129.db2.gz AZKJYZSBSYDKBM-PSOPSSQASA-N 2 1 299.245 3.553 10 0 CHAEMP C[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)c1cccc2ccccc21 ZINC000396726237 330223826 /nfs/dbraw/zinc/22/38/26/330223826.db2.gz UHZGNTAFIUMKCX-IYOUNJFTSA-N 2 1 268.404 3.631 10 0 CHAEMP Cc1cc(C(C)(C)C)cc(C)c1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000228073812 333294191 /nfs/dbraw/zinc/29/41/91/333294191.db2.gz OCDRWSUSDOTSGE-CVEARBPZSA-N 2 1 288.479 3.770 10 0 CHAEMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC2CCC(C(C)(C)C)CC2)C1 ZINC000135881359 334140605 /nfs/dbraw/zinc/14/06/05/334140605.db2.gz MHHJICGSBLADCB-YHNBSYBMSA-N 2 1 266.473 3.508 10 0 CHAEMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)C1 ZINC000252439319 334380048 /nfs/dbraw/zinc/38/00/48/334380048.db2.gz NBMVVSFIRNESEE-OAGGEKHMSA-N 2 1 266.473 3.523 10 0 CHAEMP CC[C@@H](C)[N@@H+](C)Cc1c(C[NH3+])sc2cccc(F)c21 ZINC000052444110 522063137 /nfs/dbraw/zinc/06/31/37/522063137.db2.gz BJRHBYBXFDSVOH-SNVBAGLBSA-N 2 1 280.412 3.729 10 0 CHAEMP CC(C)C[NH2+]CCC[C@@H](C)[N@@H+](C)Cc1ccsc1 ZINC000052457336 519743697 /nfs/dbraw/zinc/74/36/97/519743697.db2.gz WBGGMOQQSVPYCV-CQSZACIVSA-N 2 1 268.470 3.594 10 0 CHAEMP CC(C)C[NH2+]Cc1ccc(C[N@@H+](C)[C@@H](C)C(C)C)o1 ZINC000052478449 519747138 /nfs/dbraw/zinc/74/71/38/519747138.db2.gz CKIFFFLFPVSVCN-AWEZNQCLSA-N 2 1 266.429 3.502 10 0 CHAEMP CCCC1CCC([N@H+]2[C@@H]3CCC[C@H]2CC([NH3+])C3)CC1 ZINC000054602669 519896437 /nfs/dbraw/zinc/89/64/37/519896437.db2.gz JDFVQMDAJPLMQI-QLQQRZLESA-N 2 1 264.457 3.690 10 0 CHAEMP CCCC1CCC([N@@H+]2[C@@H]3CCC[C@H]2CC([NH3+])C3)CC1 ZINC000054602669 519896449 /nfs/dbraw/zinc/89/64/49/519896449.db2.gz JDFVQMDAJPLMQI-QLQQRZLESA-N 2 1 264.457 3.690 10 0 CHAEMP CC[NH2+]CCC[C@H](C)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000052346372 519920283 /nfs/dbraw/zinc/92/02/83/519920283.db2.gz DCHNHNQXZDRNQU-ZDUSSCGKSA-N 2 1 268.832 3.550 10 0 CHAEMP CCC[NH2+][C@H](C)[C@@H](C)[NH+]1CCC(CC)(CC)CC1 ZINC000062953447 520063502 /nfs/dbraw/zinc/06/35/02/520063502.db2.gz VJWXJPHHYAGBKQ-HUUCEWRRSA-N 2 1 254.462 3.665 10 0 CHAEMP CC[N@@H+]([C@H](C)CCC[NH2+]C(C)(C)C)C1CCCC1 ZINC000052457826 521476671 /nfs/dbraw/zinc/47/66/71/521476671.db2.gz PPFKZIHBXIPPDX-CQSZACIVSA-N 2 1 254.462 3.808 10 0 CHAEMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](c1cccs1)C(C)C ZINC000054628791 521956579 /nfs/dbraw/zinc/95/65/79/521956579.db2.gz AAQCEXWHHPWCAN-NQKGRLOXSA-N 2 1 278.465 3.660 10 0 CHAEMP CC[C@@H](C)[N@@H+](CC)Cc1cc(C[NH2+]C(C)(C)C)co1 ZINC000052451346 522085368 /nfs/dbraw/zinc/08/53/68/522085368.db2.gz UILWTGOZEIBYLC-CYBMUJFWSA-N 2 1 266.429 3.788 10 0 CHAEMP CC[C@H]([NH3+])[C@@H](c1ccc(C)s1)[NH+]1CCC(C)(C)CC1 ZINC000061818353 522339721 /nfs/dbraw/zinc/33/97/21/522339721.db2.gz RARGXZLIJZWFIY-ZFWWWQNUSA-N 2 1 280.481 3.957 10 0 CHAEMP C[C@H](C[NH2+]C(C)(C)C)C[N@H+](Cc1cccs1)C1CC1 ZINC000052370654 524476095 /nfs/dbraw/zinc/47/60/95/524476095.db2.gz RGLNEOOEOBXARQ-CYBMUJFWSA-N 2 1 280.481 3.737 10 0 CHAEMP C[C@H](C[NH2+]C(C)(C)C)C[N@@H+](Cc1cccs1)C1CC1 ZINC000052370654 524476102 /nfs/dbraw/zinc/47/61/02/524476102.db2.gz RGLNEOOEOBXARQ-CYBMUJFWSA-N 2 1 280.481 3.737 10 0 CHAEMP CC[C@H](C)C[C@H](CC)[NH2+]CC[NH+](C(C)C)C(C)C ZINC000019231976 170757264 /nfs/dbraw/zinc/75/72/64/170757264.db2.gz BLAFONXJGOVQFG-HOTGVXAUSA-N 2 1 256.478 3.910 10 0 CHAEMP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)o1 ZINC000020143181 171028852 /nfs/dbraw/zinc/02/88/52/171028852.db2.gz RTDOEPITLJTLPJ-DOMZBBRYSA-N 2 1 290.451 3.802 10 0 CHAEMP CC(C)CC(CC(C)C)[NH2+]C[C@@H](C(C)C)[NH+](C)C ZINC000020565586 171254116 /nfs/dbraw/zinc/25/41/16/171254116.db2.gz DJYGAXRAIPMXFO-INIZCTEOSA-N 2 1 256.478 3.623 10 0 CHAEMP C[C@H]1CCCC[C@@H]1[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000021812233 171329809 /nfs/dbraw/zinc/32/98/09/171329809.db2.gz ZETGRTJIZYRIIM-WMZOPIPTSA-N 2 1 274.452 3.677 10 0 CHAEMP C[C@H]1CCC[C@H](C)C1[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000021818486 171333539 /nfs/dbraw/zinc/33/35/39/171333539.db2.gz OWNYPJGEJVWEOT-JYJNAYRXSA-N 2 1 266.473 3.665 10 0 CHAEMP C[C@H]1CCC[C@](C[NH2+]CCC(C)(C)C)([NH+](C)C)C1 ZINC000040669061 174367297 /nfs/dbraw/zinc/36/72/97/174367297.db2.gz SDOWYDFQGMMLIH-HOCLYGCPSA-N 2 1 254.462 3.523 10 0 CHAEMP CC[C@H]([NH3+])[C@@H](c1cccs1)[NH+]1CCCCCCC1 ZINC000043103130 174969117 /nfs/dbraw/zinc/96/91/17/174969117.db2.gz BHNRAYLBDJEWEL-ZFWWWQNUSA-N 2 1 266.454 3.793 10 0 CHAEMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228474284 262338831 /nfs/dbraw/zinc/33/88/31/262338831.db2.gz BLUQLRQXWHBRED-RKTXRCNFSA-N 2 1 292.854 3.850 10 0 CHAEMP Cc1[nH+]ccn1CCCC[N@H+]1CC=C(c2ccccc2)CC1 ZINC000118993081 267284386 /nfs/dbraw/zinc/28/43/86/267284386.db2.gz VDGXEPMPNHDUOR-UHFFFAOYSA-N 2 1 295.430 3.761 10 0 CHAEMP Cc1[nH+]ccn1CCCC[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000118993081 267284387 /nfs/dbraw/zinc/28/43/87/267284387.db2.gz VDGXEPMPNHDUOR-UHFFFAOYSA-N 2 1 295.430 3.761 10 0 CHAEMP CCc1ccc([C@H](C)[NH2+]CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000049856244 328380299 /nfs/dbraw/zinc/38/02/99/328380299.db2.gz LQWZTHQSZSBDBZ-MAUKXSAKSA-N 2 1 274.452 3.774 10 0 CHAEMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1cccc(Cl)c1 ZINC000049856216 328380350 /nfs/dbraw/zinc/38/03/50/328380350.db2.gz CXKZMWZXURBDKU-XJKSGUPXSA-N 2 1 280.843 3.865 10 0 CHAEMP Cc1cccc([C@H](C)[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC000075639135 329874891 /nfs/dbraw/zinc/87/48/91/329874891.db2.gz ZWIBWLNYJZCJFF-INIZCTEOSA-N 2 1 272.436 3.616 10 0 CHAEMP CC(C)(C)c1ccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])s1 ZINC000166174266 331306688 /nfs/dbraw/zinc/30/66/88/331306688.db2.gz MSADWQSDGLRFJH-CYBMUJFWSA-N 2 1 280.481 3.749 10 0 CHAEMP CC[C@H](c1ccc(F)cc1)[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000226430953 333260789 /nfs/dbraw/zinc/26/07/89/333260789.db2.gz RHSBGVCUHUOVGA-HZPDHXFCSA-N 2 1 266.404 3.582 10 0 CHAEMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(Cl)cc3Cl)C[C@@H]21 ZINC000230047589 333312563 /nfs/dbraw/zinc/31/25/63/333312563.db2.gz TVRAGGVLGDAMTF-RIEGTJTDSA-N 2 1 299.245 3.553 10 0 CHAEMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3Cl)C[C@@H]21 ZINC000230047589 333312564 /nfs/dbraw/zinc/31/25/64/333312564.db2.gz TVRAGGVLGDAMTF-RIEGTJTDSA-N 2 1 299.245 3.553 10 0 CHAEMP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)[nH+]1 ZINC000246138723 334236040 /nfs/dbraw/zinc/23/60/40/334236040.db2.gz NJFMGKZONQSLSR-SJORKVTESA-N 2 1 295.430 3.885 10 0 CHAEMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)[nH+]1 ZINC000246138723 334236041 /nfs/dbraw/zinc/23/60/41/334236041.db2.gz NJFMGKZONQSLSR-SJORKVTESA-N 2 1 295.430 3.885 10 0 CHAEMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)c1ccc(F)c(Cl)c1 ZINC000251344781 334360138 /nfs/dbraw/zinc/36/01/38/334360138.db2.gz QWVJWOADHIHMLN-ABAIWWIYSA-N 2 1 286.822 3.845 10 0 CHAEMP CC(C)[NH2+]C[C@H](C(C)C)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000052482190 519724215 /nfs/dbraw/zinc/72/42/15/519724215.db2.gz PXOCKUINDVAIAB-GVDBMIGSSA-N 2 1 266.473 3.521 10 0 CHAEMP CC(C)C[NH2+]CCCC[N@@H+](C)[C@@H](C)c1cccs1 ZINC000052506439 519743442 /nfs/dbraw/zinc/74/34/42/519743442.db2.gz BCUYJAWIXAOBKW-AWEZNQCLSA-N 2 1 268.470 3.767 10 0 CHAEMP CCC[NH2+]Cc1ccoc1C[N@H+]1CCCC[C@@H]1CC ZINC000052447396 519958935 /nfs/dbraw/zinc/95/89/35/519958935.db2.gz VCFDBXJPHVDZBF-HNNXBMFYSA-N 2 1 264.413 3.544 10 0 CHAEMP CCC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1C[N@@H+](C)C1CC1 ZINC000054559744 520095501 /nfs/dbraw/zinc/09/55/01/520095501.db2.gz ASLVHXXBCZJJSI-INMHGKMJSA-N 2 1 266.473 3.521 10 0 CHAEMP CCCCC[N@@H+](C)Cc1occc1C[NH2+]C(C)(C)C ZINC000052454690 520151438 /nfs/dbraw/zinc/15/14/38/520151438.db2.gz MFYRZAPLRGACAJ-UHFFFAOYSA-N 2 1 266.429 3.790 10 0 CHAEMP CCCCC[N@@H+](C)Cc1cc(C[NH2+]C(C)C)oc1C ZINC000052454941 520151729 /nfs/dbraw/zinc/15/17/29/520151729.db2.gz GILJIYGGGZWPKY-UHFFFAOYSA-N 2 1 266.429 3.708 10 0 CHAEMP CC[N@@H+]([C@@H](C)CCC[NH2+]C(C)(C)C)C1CCCC1 ZINC000052457825 521473065 /nfs/dbraw/zinc/47/30/65/521473065.db2.gz PPFKZIHBXIPPDX-AWEZNQCLSA-N 2 1 254.462 3.808 10 0 CHAEMP CC[C@@H](C)[N@@H+](CC)Cc1ccc(C[NH2+]C2CC2)cc1 ZINC000052451443 522084373 /nfs/dbraw/zinc/08/43/73/522084373.db2.gz DLTXQJPDCWUYAH-CQSZACIVSA-N 2 1 260.425 3.559 10 0 CHAEMP CC[C@@H]([NH3+])[C@H](c1ccc(C)s1)[NH+]1CCC(C)(C)CC1 ZINC000061818356 522654051 /nfs/dbraw/zinc/65/40/51/522654051.db2.gz RARGXZLIJZWFIY-UKRRQHHQSA-N 2 1 280.481 3.957 10 0 CHAEMP c1ccc(C[NH+]2CCC3(CC[N@H+](C4CCC4)C3)CC2)cc1 ZINC000095937483 185034503 /nfs/dbraw/zinc/03/45/03/185034503.db2.gz MOGHSFLJXIBNPX-UHFFFAOYSA-N 2 1 284.447 3.527 10 0 CHAEMP c1ccc(C[N@@H+]2CCCC[C@@H]2CCC[NH2+]C2CC2)cc1 ZINC000095081021 184937179 /nfs/dbraw/zinc/93/71/79/184937179.db2.gz KWOIIZFEINVPKC-GOSISDBHSA-N 2 1 272.436 3.573 10 0 CHAEMP CCCCC[C@H](C)[NH2+]C[C@@H](C(CC)CC)[NH+](C)C ZINC000021040120 171293355 /nfs/dbraw/zinc/29/33/55/171293355.db2.gz ILBOEMIUPDTXDR-HOCLYGCPSA-N 2 1 256.478 3.911 10 0 CHAEMP CCCOc1ccc([C@H](C)[NH2+]CCC[NH+](CC)CC)cc1 ZINC000021516705 171312831 /nfs/dbraw/zinc/31/28/31/171312831.db2.gz UQENKNPVLBNJPG-INIZCTEOSA-N 2 1 292.467 3.858 10 0 CHAEMP Cc1[nH+]ccn1[C@@H]1CCCCCCCCCC[C@H]1[NH3+] ZINC000021789406 171323516 /nfs/dbraw/zinc/32/35/16/171323516.db2.gz IDNYKDFSIOWHDH-HZPDHXFCSA-N 2 1 263.429 3.975 10 0 CHAEMP CCC(CC)[C@H](C[NH2+][C@@H](C)CCC(C)C)[NH+](C)C ZINC000021801441 171326341 /nfs/dbraw/zinc/32/63/41/171326341.db2.gz NLTGRHLJYDHWQM-HOCLYGCPSA-N 2 1 256.478 3.767 10 0 CHAEMP CC(C)[C@@H](C[NH2+]C1[C@H](C)CCC[C@@H]1C)[NH+]1CCCC1 ZINC000021815989 171332576 /nfs/dbraw/zinc/33/25/76/171332576.db2.gz QPKOHMROELBOMG-LVYZTWJOSA-N 2 1 266.473 3.521 10 0 CHAEMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000037220188 173038236 /nfs/dbraw/zinc/03/82/36/173038236.db2.gz KVYKLFJHDWFYKU-KCQAQPDRSA-N 2 1 280.843 3.721 10 0 CHAEMP CC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C(C)C ZINC000049127909 328341606 /nfs/dbraw/zinc/34/16/06/328341606.db2.gz OGAIJVOMAJDKND-LJQANCHMSA-N 2 1 288.479 3.718 10 0 CHAEMP Cc1cccc(N2CCC([NH2+][C@@H](C)CCC3CC3)CC2)[nH+]1 ZINC000186343271 329343309 /nfs/dbraw/zinc/34/33/09/329343309.db2.gz RCGLAMZGPZKGJF-HNNXBMFYSA-N 2 1 287.451 3.527 10 0 CHAEMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000230652931 333319451 /nfs/dbraw/zinc/31/94/51/333319451.db2.gz WKGIQIAEWAAILH-QLFBSQMISA-N 2 1 254.462 3.521 10 0 CHAEMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000230652931 333319452 /nfs/dbraw/zinc/31/94/52/333319452.db2.gz WKGIQIAEWAAILH-QLFBSQMISA-N 2 1 254.462 3.521 10 0 CHAEMP C[C@H]1C[N@@H+](CC2CCC(C(C)(C)C)CC2)CC[C@@H]1[NH3+] ZINC000135296233 334124141 /nfs/dbraw/zinc/12/41/41/334124141.db2.gz GADBGPVIYYMZDA-LBDPXKHJSA-N 2 1 266.473 3.508 10 0 CHAEMP CC[C@H]1CC[C@@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)C1 ZINC000080459209 334171976 /nfs/dbraw/zinc/17/19/76/334171976.db2.gz PSCXLKQXHQADDZ-JKSUJKDBSA-N 2 1 266.473 3.809 10 0 CHAEMP C[C@@H]1C[C@@H]([NH2+][C@H]2c3ccccc3CCC2(C)C)CC[N@@H+]1C ZINC000245536850 334201348 /nfs/dbraw/zinc/20/13/48/334201348.db2.gz ZMMSNTYLYLBVSJ-HFTRVMKXSA-N 2 1 286.463 3.772 10 0 CHAEMP C[C@@H]1C[C@@H]([NH2+][C@H]2c3ccccc3CCC2(C)C)CC[N@H+]1C ZINC000245536850 334201350 /nfs/dbraw/zinc/20/13/50/334201350.db2.gz ZMMSNTYLYLBVSJ-HFTRVMKXSA-N 2 1 286.463 3.772 10 0 CHAEMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252840199 334396386 /nfs/dbraw/zinc/39/63/86/334396386.db2.gz BLUQLRQXWHBRED-QMCVQRASSA-N 2 1 292.854 3.850 10 0 CHAEMP CCC[NH2+]Cc1oc(C[N@@H+](CCC)C(C)C)cc1C ZINC000052450705 519972187 /nfs/dbraw/zinc/97/21/87/519972187.db2.gz WOLKCORVDGHRCB-UHFFFAOYSA-N 2 1 266.429 3.708 10 0 CHAEMP CC[NH2+]Cc1oc(C[N@@H+](C)[C@H](C)CC(C)C)cc1C ZINC000052572175 520027314 /nfs/dbraw/zinc/02/73/14/520027314.db2.gz XSPKMLSDRUCKOT-CQSZACIVSA-N 2 1 266.429 3.564 10 0 CHAEMP CCCC[N@@H+](CC)Cc1oc2ccccc2c1C[NH3+] ZINC000052418791 520477952 /nfs/dbraw/zinc/47/79/52/520477952.db2.gz XORJVFHSBQUFIW-UHFFFAOYSA-N 2 1 260.381 3.514 10 0 CHAEMP CCC[C@H](C)[N@@H+](C)Cc1ccccc1C[NH2+]C1CC1 ZINC000052480789 521035697 /nfs/dbraw/zinc/03/56/97/521035697.db2.gz VYOJGQQCLDCEAI-AWEZNQCLSA-N 2 1 260.425 3.559 10 0 CHAEMP CCC[N@@H+](CC)Cc1cc(C[NH2+]CC(C)C)oc1C ZINC000052448583 521613145 /nfs/dbraw/zinc/61/31/45/521613145.db2.gz NBFVHQIJHCWKTD-UHFFFAOYSA-N 2 1 266.429 3.566 10 0 CHAEMP CC(C)[NH2+]Cc1ccc(C[N@@H+](C)[C@@H](C)C(C)(C)C)o1 ZINC000052504370 519726532 /nfs/dbraw/zinc/72/65/32/519726532.db2.gz XNCOEYYWAKNLRU-ZDUSSCGKSA-N 2 1 266.429 3.644 10 0 CHAEMP CC(C)C[NH2+]CCCC[N@@H+](C)[C@H](C)c1cccs1 ZINC000052506441 519743353 /nfs/dbraw/zinc/74/33/53/519743353.db2.gz BCUYJAWIXAOBKW-CQSZACIVSA-N 2 1 268.470 3.767 10 0 CHAEMP CCC[NH2+][C@@H]1CC[N@H+]([C@@H](C)C2CCCCC2)C[C@@H]1C ZINC000052340336 520022933 /nfs/dbraw/zinc/02/29/33/520022933.db2.gz GXRANKNCRSTYHH-YQQAZPJKSA-N 2 1 266.473 3.665 10 0 CHAEMP CC[NH2+]Cc1oc(C[N@@H+](C)[C@@H](C)C(C)(C)C)cc1C ZINC000052504634 520028882 /nfs/dbraw/zinc/02/88/82/520028882.db2.gz BQXRXSNOMNVXJO-ZDUSSCGKSA-N 2 1 266.429 3.564 10 0 CHAEMP CCCCCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]CC)C2 ZINC000054628976 520127467 /nfs/dbraw/zinc/12/74/67/520127467.db2.gz SVHOPSPUAZHCMR-XYTVBORESA-N 2 1 266.473 3.950 10 0 CHAEMP C[N@@H+](CCCCC[NH2+]C1CC1)Cc1ccc(Cl)cc1 ZINC000052346387 522731644 /nfs/dbraw/zinc/73/16/44/522731644.db2.gz COKOFRZYRZMIOV-UHFFFAOYSA-N 2 1 280.843 3.694 10 0 CHAEMP CC[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)C1CCCCC1 ZINC000052338744 522840662 /nfs/dbraw/zinc/84/06/62/522840662.db2.gz WEQLYTXJCQBLJR-IAGOWNOFSA-N 2 1 266.473 3.809 10 0 CHAEMP CC[C@H](C)C[N@@H+](C)Cc1occc1C[NH2+]C(C)(C)C ZINC000052453967 523869569 /nfs/dbraw/zinc/86/95/69/523869569.db2.gz FYZGVPBIFHRRPY-ZDUSSCGKSA-N 2 1 266.429 3.646 10 0 CHAEMP C[C@H]1CCC[N@@H+](Cc2c3ccccc3sc2C[NH3+])C1 ZINC000052381430 524092070 /nfs/dbraw/zinc/09/20/70/524092070.db2.gz WWVAOMWIRQIRIH-LBPRGKRZSA-N 2 1 274.433 3.592 10 0 CHAEMP C[C@@H](C[NH2+]C(C)(C)C)C[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000052546588 524734536 /nfs/dbraw/zinc/73/45/36/524734536.db2.gz DHCJNKHIAANMAP-SOUVJXGZSA-N 2 1 254.462 3.521 10 0 CHAEMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000130206192 525937081 /nfs/dbraw/zinc/93/70/81/525937081.db2.gz DLTXSKYDPJPSAN-GVDBMIGSSA-N 2 1 272.436 3.581 10 0 CHAEMP [NH3+][C@@H](CC[NH+]1CCCCCC1)c1ccc(Cl)cc1 ZINC000020273997 171130872 /nfs/dbraw/zinc/13/08/72/171130872.db2.gz WUAADKHHMXKFJC-HNNXBMFYSA-N 2 1 266.816 3.606 10 0 CHAEMP CCCCCC[C@@](C)(C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000020362579 171161621 /nfs/dbraw/zinc/16/16/21/171161621.db2.gz OQWFSALBLZPMIG-KRWDZBQOSA-N 2 1 262.441 3.806 10 0 CHAEMP CCCCCC[C@@](C)(C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000020362579 171161623 /nfs/dbraw/zinc/16/16/23/171161623.db2.gz OQWFSALBLZPMIG-KRWDZBQOSA-N 2 1 262.441 3.806 10 0 CHAEMP CC(C)CC(CC(C)C)[NH2+]C[C@H](C(C)C)[NH+](C)C ZINC000020565587 171253913 /nfs/dbraw/zinc/25/39/13/171253913.db2.gz DJYGAXRAIPMXFO-MRXNPFEDSA-N 2 1 256.478 3.623 10 0 CHAEMP C[NH+](C)C(C)(C)C[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000021054085 171295546 /nfs/dbraw/zinc/29/55/46/171295546.db2.gz LMQKXFYGYYONQT-KGLIPLIRSA-N 2 1 254.462 3.521 10 0 CHAEMP CCCCC[C@@H](C)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000021055464 171295572 /nfs/dbraw/zinc/29/55/72/171295572.db2.gz XWNCOVFIPCXJEU-OAHLLOKOSA-N 2 1 254.462 3.809 10 0 CHAEMP CCC(CC)[C@@H](C[NH2+][C@H](C)CCC(C)C)[NH+](C)C ZINC000021801444 171326097 /nfs/dbraw/zinc/32/60/97/171326097.db2.gz NLTGRHLJYDHWQM-GDBMZVCRSA-N 2 1 256.478 3.767 10 0 CHAEMP CC[C@H](C)C[C@](CC)(C[NH3+])[N@H+](C)Cc1cccs1 ZINC000035717226 172371351 /nfs/dbraw/zinc/37/13/51/172371351.db2.gz KNLUIWVRZCWCRN-DZGCQCFKSA-N 2 1 268.470 3.724 10 0 CHAEMP CC[C@H](C)C[C@](CC)(C[NH3+])[N@@H+](C)Cc1cccs1 ZINC000035717226 172371353 /nfs/dbraw/zinc/37/13/53/172371353.db2.gz KNLUIWVRZCWCRN-DZGCQCFKSA-N 2 1 268.470 3.724 10 0 CHAEMP CC[N@H+]1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)CCCC(C)C)C1 ZINC000037221137 173040243 /nfs/dbraw/zinc/04/02/43/173040243.db2.gz CNCHTYCGIPRQBT-BBWFWOEESA-N 2 1 268.489 3.911 10 0 CHAEMP CC(C)=CC[NH+]1CCC([NH2+][C@@H](C)c2cccs2)CC1 ZINC000037235326 173053518 /nfs/dbraw/zinc/05/35/18/173053518.db2.gz LUCGKABLEPZKHO-AWEZNQCLSA-N 2 1 278.465 3.829 10 0 CHAEMP C[C@@H]1CCC[C@@](C[NH2+]CCC(C)(C)C)([NH+](C)C)C1 ZINC000040669055 174367608 /nfs/dbraw/zinc/36/76/08/174367608.db2.gz SDOWYDFQGMMLIH-GDBMZVCRSA-N 2 1 254.462 3.523 10 0 CHAEMP Cc1cccc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[nH+]1 ZINC000301978751 261344971 /nfs/dbraw/zinc/34/49/71/261344971.db2.gz ADOUFKHLZTVPAT-WMZOPIPTSA-N 2 1 295.430 3.855 10 0 CHAEMP Cc1cccc(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[nH+]1 ZINC000301978751 261344974 /nfs/dbraw/zinc/34/49/74/261344974.db2.gz ADOUFKHLZTVPAT-WMZOPIPTSA-N 2 1 295.430 3.855 10 0 CHAEMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3)C[C@H]21 ZINC000228534259 262340441 /nfs/dbraw/zinc/34/04/41/262340441.db2.gz MHKFWAOGSZMWSL-NILFDRSVSA-N 2 1 299.245 3.553 10 0 CHAEMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(Cl)cc(Cl)c3)C[C@H]21 ZINC000228534259 262340443 /nfs/dbraw/zinc/34/04/43/262340443.db2.gz MHKFWAOGSZMWSL-NILFDRSVSA-N 2 1 299.245 3.553 10 0 CHAEMP CCC[N@@H+](CC1CC[NH2+]CC1)[C@H](CC)c1ccccc1 ZINC000094011982 265208949 /nfs/dbraw/zinc/20/89/49/265208949.db2.gz QVZQAOJPOYDENH-GOSISDBHSA-N 2 1 274.452 3.849 10 0 CHAEMP CC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C(C)C ZINC000049127906 328341538 /nfs/dbraw/zinc/34/15/38/328341538.db2.gz OGAIJVOMAJDKND-IBGZPJMESA-N 2 1 288.479 3.718 10 0 CHAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)s1 ZINC000178321393 329198611 /nfs/dbraw/zinc/19/86/11/329198611.db2.gz AHCKFSDBLCWTST-LBPRGKRZSA-N 2 1 295.839 3.571 10 0 CHAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(Cl)s1 ZINC000178321393 329198613 /nfs/dbraw/zinc/19/86/13/329198613.db2.gz AHCKFSDBLCWTST-LBPRGKRZSA-N 2 1 295.839 3.571 10 0 CHAEMP Cc1ccc([C@H](C)[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)o1 ZINC000128231690 329606197 /nfs/dbraw/zinc/60/61/97/329606197.db2.gz SCPHXESWUMEWEB-HNNXBMFYSA-N 2 1 299.418 3.611 10 0 CHAEMP Cc1cccc([C@@H](C)[N@H+]2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000247489813 334282803 /nfs/dbraw/zinc/28/28/03/334282803.db2.gz KWDFXHRGSIQMFP-SJORKVTESA-N 2 1 295.430 3.885 10 0 CHAEMP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000252673836 334384969 /nfs/dbraw/zinc/38/49/69/334384969.db2.gz MSXQQNWEAYGVIE-CWQOZTLDSA-N 2 1 278.484 3.664 10 0 CHAEMP CC(C)C[NH2+]CCCCC[N@@H+](C)[C@H]1CCCC[C@@H]1C ZINC000052546870 519743381 /nfs/dbraw/zinc/74/33/81/519743381.db2.gz DGPBXGBXANZNJZ-IRXDYDNUSA-N 2 1 268.489 3.913 10 0 CHAEMP CCC[NH2+]CCC[C@@H](C)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000052482342 519913616 /nfs/dbraw/zinc/91/36/16/519913616.db2.gz ZXMIIILIPKGVIO-IXDOHACOSA-N 2 1 266.473 3.667 10 0 CHAEMP CCC[NH2+]CCC[C@@H](C)[N@@H+](CC)CC(CC)CC ZINC000052540704 519912847 /nfs/dbraw/zinc/91/28/47/519912847.db2.gz YMEYZVUCVOPUHX-OAHLLOKOSA-N 2 1 256.478 3.913 10 0 CHAEMP CCCC[N@@H+](CC)Cc1cccc(C[NH2+]CCC)c1 ZINC000052418713 520479991 /nfs/dbraw/zinc/47/99/91/520479991.db2.gz SVIIKGWVLBXRBY-UHFFFAOYSA-N 2 1 262.441 3.808 10 0 CHAEMP CCCC[N@@H+](CC)Cc1c2ccccc2oc1C[NH3+] ZINC000052418744 520478975 /nfs/dbraw/zinc/47/89/75/520478975.db2.gz LJZAIQDWVFBUJC-UHFFFAOYSA-N 2 1 260.381 3.514 10 0 CHAEMP CC[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000052419414 520006437 /nfs/dbraw/zinc/00/64/37/520006437.db2.gz JMMSAEZDIURIIQ-UHFFFAOYSA-N 2 1 260.425 3.561 10 0 CHAEMP CCCC[N@@H+](C[C@H](C)C[NH2+]C(C)(C)C)[C@@H](C)CC ZINC000052372616 520540785 /nfs/dbraw/zinc/54/07/85/520540785.db2.gz IJRZIPAHFUVZSD-CABCVRRESA-N 2 1 256.478 3.911 10 0 CHAEMP CCC(CC)C[N@@H+](CC)C[C@H](C)C[NH2+]C(C)(C)C ZINC000052540632 521519773 /nfs/dbraw/zinc/51/97/73/521519773.db2.gz KEGZHOFXCOQUFU-CQSZACIVSA-N 2 1 256.478 3.769 10 0 CHAEMP C[NH2+]CCCCC[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000062019503 521991768 /nfs/dbraw/zinc/99/17/68/521991768.db2.gz DZDPFYONNOKEDK-ZDUSSCGKSA-N 2 1 268.832 3.723 10 0 CHAEMP C[N@@H+](Cc1cc(C[NH2+]C(C)(C)C)co1)CC(C)(C)C ZINC000052570144 523170786 /nfs/dbraw/zinc/17/07/86/523170786.db2.gz OFIQSACUUNSADZ-UHFFFAOYSA-N 2 1 266.429 3.646 10 0 CHAEMP C[C@@H](CC[NH2+]C(C)(C)C)[N@H+](Cc1ccsc1)C1CC1 ZINC000052542178 524496376 /nfs/dbraw/zinc/49/63/76/524496376.db2.gz DHHMEPRHWKXOBA-ZDUSSCGKSA-N 2 1 280.481 3.879 10 0 CHAEMP C[C@@H](CC[NH2+]C(C)(C)C)[N@@H+](Cc1ccsc1)C1CC1 ZINC000052542178 524496382 /nfs/dbraw/zinc/49/63/82/524496382.db2.gz DHHMEPRHWKXOBA-ZDUSSCGKSA-N 2 1 280.481 3.879 10 0 CHAEMP Cc1ccc(N2CCC([NH2+][C@H](C)C3CCCC3)CC2)[nH+]c1 ZINC000163530483 524941828 /nfs/dbraw/zinc/94/18/28/524941828.db2.gz TZXLNJCRIAGDRX-OAHLLOKOSA-N 2 1 287.451 3.527 10 0 CHAEMP Cc1ccccc1C[N@H+](C)[C@@H](C)CCC[NH2+]C(C)C ZINC000052547112 525129729 /nfs/dbraw/zinc/12/97/29/525129729.db2.gz IDVCNCUZAAUVJE-INIZCTEOSA-N 2 1 262.441 3.594 10 0 CHAEMP CC(C)=CC[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000192314653 1125332300 /nfs/dbraw/zinc/33/23/00/1125332300.db2.gz DGYQDCXXYVLNQP-MRXNPFEDSA-N 2 1 272.436 3.768 10 0 CHAEMP Cc1[nH+]ccn1[C@H]1CCCCCCCCCC[C@@H]1[NH3+] ZINC000021789403 171323390 /nfs/dbraw/zinc/32/33/90/171323390.db2.gz IDNYKDFSIOWHDH-HOTGVXAUSA-N 2 1 263.429 3.975 10 0 CHAEMP CCCC1CCC([NH2+]C[C@H](C(C)C)[NH+](C)C)CC1 ZINC000022149857 171357858 /nfs/dbraw/zinc/35/78/58/171357858.db2.gz CMQFUKAJKHIHNN-UYSNPLJNSA-N 2 1 254.462 3.521 10 0 CHAEMP CCCC1CCC([NH2+]C[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000022149854 171357957 /nfs/dbraw/zinc/35/79/57/171357957.db2.gz CMQFUKAJKHIHNN-GPANFISMSA-N 2 1 254.462 3.521 10 0 CHAEMP C[N@@H+](CCC[C@@H]([NH3+])c1ccccc1)Cc1ccsc1 ZINC000071401692 176153843 /nfs/dbraw/zinc/15/38/43/176153843.db2.gz GGNNJMMUOYTFBI-MRXNPFEDSA-N 2 1 274.433 3.660 10 0 CHAEMP CC[N@H+](CC[C@@H]1[NH2+]CCc2ccccc21)Cc1ccccc1 ZINC000076565515 177038949 /nfs/dbraw/zinc/03/89/49/177038949.db2.gz BMJIWWJJMXCFCB-FQEVSTJZSA-N 2 1 294.442 3.786 10 0 CHAEMP CC[N@@H+](CC[C@@H]1[NH2+]CCc2ccccc21)Cc1ccccc1 ZINC000076565515 177038951 /nfs/dbraw/zinc/03/89/51/177038951.db2.gz BMJIWWJJMXCFCB-FQEVSTJZSA-N 2 1 294.442 3.786 10 0 CHAEMP Cc1cccc(N2CCC([NH2+][C@@H]3CCCC[C@H]3C)CC2)[nH+]1 ZINC000128187511 329605702 /nfs/dbraw/zinc/60/57/02/329605702.db2.gz VXEWCZRKEIYFNC-RHSMWYFYSA-N 2 1 287.451 3.527 10 0 CHAEMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)C1 ZINC000250699486 334348622 /nfs/dbraw/zinc/34/86/22/334348622.db2.gz NMMNPHPFCPUCTR-BZUAXINKSA-N 2 1 266.473 3.523 10 0 CHAEMP CC(C)C[NH2+]CCCC[N@@H+](C)C1CCCCCC1 ZINC000052481972 519743246 /nfs/dbraw/zinc/74/32/46/519743246.db2.gz NOLGPBCTAJOXRD-UHFFFAOYSA-N 2 1 254.462 3.667 10 0 CHAEMP CC(C)[N@@H+](CCC[C@@H]1CCCC[NH2+]1)Cc1cccs1 ZINC000050953457 519644746 /nfs/dbraw/zinc/64/47/46/519644746.db2.gz IZAVYVZEEVKTTF-HNNXBMFYSA-N 2 1 280.481 3.881 10 0 CHAEMP CC(C)[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000052346423 519722037 /nfs/dbraw/zinc/72/20/37/519722037.db2.gz LDBGTUXUTUPHJO-ZDUSSCGKSA-N 2 1 268.832 3.548 10 0 CHAEMP CC(C)C[NH2+]CCCC[N@@H+](C)C1CCC(C)CC1 ZINC000052345308 519743146 /nfs/dbraw/zinc/74/31/46/519743146.db2.gz JRDYHLXSFSVEAP-UHFFFAOYSA-N 2 1 254.462 3.523 10 0 CHAEMP CCC1CCC([N@@H+](C)CCC[C@@H]2CCCC[NH2+]2)CC1 ZINC000050953429 519853452 /nfs/dbraw/zinc/85/34/52/519853452.db2.gz PFBZSXKGPWPFSL-CGZBRXJRSA-N 2 1 266.473 3.809 10 0 CHAEMP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C)s1 ZINC000054628465 519908510 /nfs/dbraw/zinc/90/85/10/519908510.db2.gz OACYJJQWPXAHGI-GOOCMWNKSA-N 2 1 278.465 3.552 10 0 CHAEMP CCC[N@H+](C(C)C)[C@H](C[NH2+]C(C)C)c1ccccc1 ZINC000052450653 521453759 /nfs/dbraw/zinc/45/37/59/521453759.db2.gz JXQVCQKTSBEFEK-QGZVFWFLSA-N 2 1 262.441 3.846 10 0 CHAEMP CCC[N@@H+](C(C)C)[C@H](C[NH2+]C(C)C)c1ccccc1 ZINC000052450653 521453762 /nfs/dbraw/zinc/45/37/62/521453762.db2.gz JXQVCQKTSBEFEK-QGZVFWFLSA-N 2 1 262.441 3.846 10 0 CHAEMP CC[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)C1CCCCC1 ZINC000052338737 522596535 /nfs/dbraw/zinc/59/65/35/522596535.db2.gz WEQLYTXJCQBLJR-IRXDYDNUSA-N 2 1 266.473 3.809 10 0 CHAEMP CC(C)=CC[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000192314648 1125332268 /nfs/dbraw/zinc/33/22/68/1125332268.db2.gz DGYQDCXXYVLNQP-INIZCTEOSA-N 2 1 272.436 3.768 10 0 CHAEMP CC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1cccs1 ZINC000020189462 171055509 /nfs/dbraw/zinc/05/55/09/171055509.db2.gz LGBZWFNKIBCJCL-CQSZACIVSA-N 2 1 266.454 3.662 10 0 CHAEMP CC[C@@H]([C@@H]([NH3+])c1ccccc1)n1cc[nH+]c1C(C)C ZINC000020261734 171119363 /nfs/dbraw/zinc/11/93/63/171119363.db2.gz RQVDLAMZPFDPNM-GJZGRUSLSA-N 2 1 257.381 3.658 10 0 CHAEMP CC[C@@H](C)C[C@@H](CC)[NH2+]C[C@@H](C(C)C)[NH+]1CCCC1 ZINC000020550302 171246944 /nfs/dbraw/zinc/24/69/44/171246944.db2.gz GDCQZOIIUMBYIG-ZACQAIPSSA-N 2 1 268.489 3.911 10 0 CHAEMP CCCCC[C@@H](C)[NH2+]C[C@@H](C(C)C)[NH+]1CCCC1 ZINC000020551117 171247088 /nfs/dbraw/zinc/24/70/88/171247088.db2.gz HIQRISUDZAVPTN-CVEARBPZSA-N 2 1 254.462 3.665 10 0 CHAEMP C[C@H]([NH2+]CC1([NH+](C)C)CCCCC1)C1CCCCC1 ZINC000037216992 173035710 /nfs/dbraw/zinc/03/57/10/173035710.db2.gz GFDPGYKAECCKNG-HNNXBMFYSA-N 2 1 266.473 3.809 10 0 CHAEMP Cc1ccc([C@H](C)[NH2+]CC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C ZINC000038018995 173994617 /nfs/dbraw/zinc/99/46/17/173994617.db2.gz OGMXRORLSCOCLE-WELJNPPOSA-N 2 1 286.463 3.827 10 0 CHAEMP CC[C@@H]([NH3+])[C@@H](c1cccs1)[NH+]1CCCCCCC1 ZINC000043103133 174968927 /nfs/dbraw/zinc/96/89/27/174968927.db2.gz BHNRAYLBDJEWEL-HIFRSBDPSA-N 2 1 266.454 3.793 10 0 CHAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC[C@@H](C)c1ccccc1 ZINC000194042880 329065250 /nfs/dbraw/zinc/06/52/50/329065250.db2.gz GTCSNTXQXTUFSZ-APWZRJJASA-N 2 1 297.446 3.850 10 0 CHAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC[C@@H](C)c1ccccc1 ZINC000194042880 329065251 /nfs/dbraw/zinc/06/52/51/329065251.db2.gz GTCSNTXQXTUFSZ-APWZRJJASA-N 2 1 297.446 3.850 10 0 CHAEMP C[C@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)c1ccoc1 ZINC000178160426 329197025 /nfs/dbraw/zinc/19/70/25/329197025.db2.gz JKPKRZSSQBTBHM-AWEZNQCLSA-N 2 1 276.424 3.585 10 0 CHAEMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc21 ZINC000251989399 334372572 /nfs/dbraw/zinc/37/25/72/334372572.db2.gz ZERXMOYVNBOSDR-JEWRLFTDSA-N 2 1 284.447 3.841 10 0 CHAEMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1ccc(Cl)cc1Cl ZINC000400501009 332712144 /nfs/dbraw/zinc/71/21/44/332712144.db2.gz INFVRTONTXUDBH-DCAQKATOSA-N 2 1 287.234 3.642 10 0 CHAEMP CC[C@@H]1CC[C@H]([NH2+]CCC[N@@H+](C)C2CCCCC2)C1 ZINC000080459197 334171878 /nfs/dbraw/zinc/17/18/78/334171878.db2.gz PSCXLKQXHQADDZ-CVEARBPZSA-N 2 1 266.473 3.809 10 0 CHAEMP Cc1cccc(NC[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)[nH+]1 ZINC000246138717 334235984 /nfs/dbraw/zinc/23/59/84/334235984.db2.gz NJFMGKZONQSLSR-IAGOWNOFSA-N 2 1 295.430 3.885 10 0 CHAEMP Cc1cccc(NC[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)[nH+]1 ZINC000246138717 334235985 /nfs/dbraw/zinc/23/59/85/334235985.db2.gz NJFMGKZONQSLSR-IAGOWNOFSA-N 2 1 295.430 3.885 10 0 CHAEMP CC(C)[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000382085358 336081448 /nfs/dbraw/zinc/08/14/48/336081448.db2.gz XEYVHZBVXNYHFH-GDAAHCPNSA-N 2 1 286.463 3.531 10 0 CHAEMP CC(C)C[NH2+]C[C@H](C)C[N@@H+](C)[C@@H](C)c1cccs1 ZINC000052506533 519745531 /nfs/dbraw/zinc/74/55/31/519745531.db2.gz HOVZQTZRJFZGDP-KBPBESRZSA-N 2 1 268.470 3.623 10 0 CHAEMP CC(C)C[NH2+]CCC[C@@H](C)[N@@H+](C)C1CCCCC1 ZINC000052419363 519743787 /nfs/dbraw/zinc/74/37/87/519743787.db2.gz NWESBAMLZXHHFI-OAHLLOKOSA-N 2 1 254.462 3.665 10 0 CHAEMP CCC[NH2+]CC[C@H](C)[N@H+](C)Cc1ccc(Cl)s1 ZINC000052509261 519919384 /nfs/dbraw/zinc/91/93/84/519919384.db2.gz SGYIAYLETFSPGO-NSHDSACASA-N 2 1 274.861 3.612 10 0 CHAEMP CCC[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000052509261 519919389 /nfs/dbraw/zinc/91/93/89/519919389.db2.gz SGYIAYLETFSPGO-NSHDSACASA-N 2 1 274.861 3.612 10 0 CHAEMP CCC[NH2+]Cc1ccoc1C[N@@H+](C)[C@H](C)CC(C)C ZINC000052571835 519959958 /nfs/dbraw/zinc/95/99/58/519959958.db2.gz MRNAIHJWFHJWJG-CQSZACIVSA-N 2 1 266.429 3.646 10 0 CHAEMP CCC[NH2+]CCC[C@H](C)[N@@H+](C)C1CCC(C)CC1 ZINC000052345428 519913204 /nfs/dbraw/zinc/91/32/04/519913204.db2.gz SRLIZVKVXKOPJY-PCKAHOCUSA-N 2 1 254.462 3.665 10 0 CHAEMP CCC[C@@H](C)[N@@H+](C)Cc1cc(C[NH2+]C(C)(C)C)co1 ZINC000052480702 520645904 /nfs/dbraw/zinc/64/59/04/520645904.db2.gz OWRDBMNWFFUNNO-CYBMUJFWSA-N 2 1 266.429 3.788 10 0 CHAEMP CCC[N@@H+](Cc1occc1C[NH2+]C(C)(C)C)C(C)C ZINC000052450262 521696744 /nfs/dbraw/zinc/69/67/44/521696744.db2.gz XOIZWFWLZHMTQR-UHFFFAOYSA-N 2 1 266.429 3.788 10 0 CHAEMP CC[C@@H](C)[N@@H+](CC)Cc1cc(C)c(C[NH2+]C(C)C)o1 ZINC000052451662 522085409 /nfs/dbraw/zinc/08/54/09/522085409.db2.gz LQAQMMWDZLIESA-CQSZACIVSA-N 2 1 266.429 3.706 10 0 CHAEMP C[NH2+]Cc1ccccc1C[N@@H+](C)[C@@H](C)c1cccs1 ZINC000052506980 522132926 /nfs/dbraw/zinc/13/29/26/522132926.db2.gz DGJODFVJDDYANF-ZDUSSCGKSA-N 2 1 274.433 3.661 10 0 CHAEMP CC[C@H](C)[N@@H+](CC)Cc1ccccc1C[NH2+]C(C)C ZINC000052451544 523935374 /nfs/dbraw/zinc/93/53/74/523935374.db2.gz WKBROIILRXGNCJ-HNNXBMFYSA-N 2 1 262.441 3.805 10 0 CHAEMP Cc1ccc(N2CCC([NH2+][C@H]3CCCC[C@@H]3C)CC2)[nH+]c1 ZINC000163510272 524941802 /nfs/dbraw/zinc/94/18/02/524941802.db2.gz IYFRGVVLHROVNX-RDJZCZTQSA-N 2 1 287.451 3.527 10 0 CHAEMP CC[NH+](CC)CC[C@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000020274002 171130563 /nfs/dbraw/zinc/13/05/63/171130563.db2.gz BUFGQDIZIHTBSE-ZDUSSCGKSA-N 2 1 275.223 3.725 10 0 CHAEMP C[N@H+](Cc1ccccc1)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000035206596 172050886 /nfs/dbraw/zinc/05/08/86/172050886.db2.gz SETWJSQSYNMRTJ-YESZJQIVSA-N 2 1 274.452 3.661 10 0 CHAEMP C[N@@H+](Cc1ccccc1)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000035206596 172050889 /nfs/dbraw/zinc/05/08/89/172050889.db2.gz SETWJSQSYNMRTJ-YESZJQIVSA-N 2 1 274.452 3.661 10 0 CHAEMP [NH3+][C@@H]1CCCC[C@@H]1Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000038050617 174062223 /nfs/dbraw/zinc/06/22/23/174062223.db2.gz FLFRSWXQLFLIPI-OCCSQVGLSA-N 2 1 275.783 3.570 10 0 CHAEMP CCC[N@H+]([C@@H](c1cccs1)C(C)C)[C@@H]1CC[NH2+]C1 ZINC000071315043 176121601 /nfs/dbraw/zinc/12/16/01/176121601.db2.gz DNKXINKHNFPUCH-UKRRQHHQSA-N 2 1 266.454 3.519 10 0 CHAEMP CCC[N@@H+]([C@@H](c1cccs1)C(C)C)[C@@H]1CC[NH2+]C1 ZINC000071315043 176121602 /nfs/dbraw/zinc/12/16/02/176121602.db2.gz DNKXINKHNFPUCH-UKRRQHHQSA-N 2 1 266.454 3.519 10 0 CHAEMP Cc1cccc([C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000157478759 264389578 /nfs/dbraw/zinc/38/95/78/264389578.db2.gz HJLMKFYNAQFXEB-DOPJRALCSA-N 2 1 266.388 3.790 10 0 CHAEMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000049856223 328380367 /nfs/dbraw/zinc/38/03/67/328380367.db2.gz LGLQMRLJQQDCEN-XJKSGUPXSA-N 2 1 280.843 3.865 10 0 CHAEMP CCc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000049856241 328380399 /nfs/dbraw/zinc/38/03/99/328380399.db2.gz LQWZTHQSZSBDBZ-YJBOKZPZSA-N 2 1 274.452 3.774 10 0 CHAEMP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc21 ZINC000251989395 334372711 /nfs/dbraw/zinc/37/27/11/334372711.db2.gz ZERXMOYVNBOSDR-DRMAHVMPSA-N 2 1 284.447 3.841 10 0 CHAEMP CC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000309783439 333049458 /nfs/dbraw/zinc/04/94/58/333049458.db2.gz LTSXXLRKRVSHOG-QRQLOZEOSA-N 2 1 288.479 3.921 10 0 CHAEMP C[NH2+]C[C@H]1CCC[N@@H+](CC2CCC(C(C)(C)C)CC2)C1 ZINC000135294344 334123948 /nfs/dbraw/zinc/12/39/48/334123948.db2.gz XJZAMMWIYDOBPS-AQFXKWCLSA-N 2 1 280.500 3.770 10 0 CHAEMP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252673837 334384944 /nfs/dbraw/zinc/38/49/44/334384944.db2.gz MSXQQNWEAYGVIE-DISONHOPSA-N 2 1 278.484 3.664 10 0 CHAEMP CC(C)(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)s1 ZINC000252842702 334396443 /nfs/dbraw/zinc/39/64/43/334396443.db2.gz CSPNJQHDAOWLED-AEGPPILISA-N 2 1 292.492 3.605 10 0 CHAEMP CC(C)C[NH2+]CCC[C@H](C)[N@@H+](CC(C)C)C1CC1 ZINC000052515846 519743625 /nfs/dbraw/zinc/74/36/25/519743625.db2.gz HIVITMBAODFYLL-HNNXBMFYSA-N 2 1 254.462 3.521 10 0 CHAEMP CC[NH2+]Cc1cc(C[N@@H+](C)[C@H](C)C(C)(C)C)c(C)o1 ZINC000052504580 519986509 /nfs/dbraw/zinc/98/65/09/519986509.db2.gz QOEARGOVBGLBNW-CYBMUJFWSA-N 2 1 266.429 3.564 10 0 CHAEMP CCCC[N@@H+](CC)Cc1occc1C[NH2+]CC(C)C ZINC000052418725 520477979 /nfs/dbraw/zinc/47/79/79/520477979.db2.gz LXHGMAFTFHLCIF-UHFFFAOYSA-N 2 1 266.429 3.647 10 0 CHAEMP CCC[C@H](C)[N@@H+](C)Cc1cc(C[NH2+]C(C)(C)C)co1 ZINC000052480703 521035530 /nfs/dbraw/zinc/03/55/30/521035530.db2.gz OWRDBMNWFFUNNO-ZDUSSCGKSA-N 2 1 266.429 3.788 10 0 CHAEMP CC(C)C[NH2+]CCCCC[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000052504531 519743360 /nfs/dbraw/zinc/74/33/60/519743360.db2.gz YPURPNOESJTFKE-HNNXBMFYSA-N 2 1 256.478 3.769 10 0 CHAEMP CC(C)c1ccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cc1 ZINC000111380487 519835836 /nfs/dbraw/zinc/83/58/36/519835836.db2.gz KRRMNXPMLLDGBW-QGZVFWFLSA-N 2 1 260.425 3.513 10 0 CHAEMP CCC[NH2+]CCC[C@@H](C)[N@@H+](C)C1CCC(C)CC1 ZINC000052345427 519913481 /nfs/dbraw/zinc/91/34/81/519913481.db2.gz SRLIZVKVXKOPJY-HWOWSKLDSA-N 2 1 254.462 3.665 10 0 CHAEMP CC[NH2+]Cc1cccc(C[N@@H+](CC(C)C)C(C)C)c1 ZINC000052572542 520003184 /nfs/dbraw/zinc/00/31/84/520003184.db2.gz WQKUEOSBKCIOJM-UHFFFAOYSA-N 2 1 262.441 3.663 10 0 CHAEMP CC[N@@H+](CCCCC[NH2+]CC(C)C)Cc1cccs1 ZINC000052546412 521002407 /nfs/dbraw/zinc/00/24/07/521002407.db2.gz ZVCQCPTZVCMVQN-UHFFFAOYSA-N 2 1 282.497 3.986 10 0 CHAEMP CC[N@@H+](CCCC[NH2+]C(C)(C)C)Cc1ccccc1 ZINC000052443693 521004674 /nfs/dbraw/zinc/00/46/74/521004674.db2.gz QKHNQQFHKKQFJB-UHFFFAOYSA-N 2 1 262.441 3.677 10 0 CHAEMP CC[N@@H+](Cc1ccccc1)[C@@H](C)CCC[NH2+]C(C)C ZINC000052443791 521373535 /nfs/dbraw/zinc/37/35/35/521373535.db2.gz PZXWSAAHXOXCMI-INIZCTEOSA-N 2 1 262.441 3.675 10 0 CHAEMP C[C@@H](c1ccc(Cl)cc1)[N@H+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602563 526044705 /nfs/dbraw/zinc/04/47/05/526044705.db2.gz RRVRQVOKVYIHDF-RJPYNODJSA-N 2 1 278.827 3.745 10 0 CHAEMP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602563 526044712 /nfs/dbraw/zinc/04/47/12/526044712.db2.gz RRVRQVOKVYIHDF-RJPYNODJSA-N 2 1 278.827 3.745 10 0 CHAEMP C[C@H](c1ccsc1)[N@@H+]1CC[C@H](C[NH2+]C(C)(C)C)C1 ZINC000061363900 526163844 /nfs/dbraw/zinc/16/38/44/526163844.db2.gz DOIMAWXRLBBSEN-CHWSQXEVSA-N 2 1 266.454 3.519 10 0 CHAEMP C[C@H](c1ccsc1)[N@H+]1CC[C@H](C[NH2+]C(C)(C)C)C1 ZINC000061363900 526163850 /nfs/dbraw/zinc/16/38/50/526163850.db2.gz DOIMAWXRLBBSEN-CHWSQXEVSA-N 2 1 266.454 3.519 10 0 CHAEMP CC[C@@H](C)C[C@@](CC)(C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000020556326 171249813 /nfs/dbraw/zinc/24/98/13/171249813.db2.gz GRJNOFZDHXXMNA-WBVHZDCISA-N 2 1 262.441 3.662 10 0 CHAEMP CC[C@@H](C)C[C@](CC)(C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000020556329 171249860 /nfs/dbraw/zinc/24/98/60/171249860.db2.gz GRJNOFZDHXXMNA-NVXWUHKLSA-N 2 1 262.441 3.662 10 0 CHAEMP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000021054078 171295505 /nfs/dbraw/zinc/29/55/05/171295505.db2.gz LMQKXFYGYYONQT-ZIAGYGMSSA-N 2 1 254.462 3.521 10 0 CHAEMP CC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+][C@@H](C)CCCC(C)C)C1 ZINC000037221138 173040262 /nfs/dbraw/zinc/04/02/62/173040262.db2.gz CNCHTYCGIPRQBT-GVDBMIGSSA-N 2 1 268.489 3.911 10 0 CHAEMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cccc2ccccc21 ZINC000128458274 260375382 /nfs/dbraw/zinc/37/53/82/260375382.db2.gz ZZGQXSLMUDPIQN-GOSISDBHSA-N 2 1 270.420 3.645 10 0 CHAEMP CCc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000049856243 328380441 /nfs/dbraw/zinc/38/04/41/328380441.db2.gz LQWZTHQSZSBDBZ-CRAIPNDOSA-N 2 1 274.452 3.774 10 0 CHAEMP Cc1ccccc1[C@@H](C)[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000049856251 328380182 /nfs/dbraw/zinc/38/01/82/328380182.db2.gz PPODYTVMVVTOTQ-HZPDHXFCSA-N 2 1 260.425 3.520 10 0 CHAEMP CC(C)c1ccc([C@@H](C)[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261732241 327080520 /nfs/dbraw/zinc/08/05/20/327080520.db2.gz LFRLWFWYGVAEBZ-RHSMWYFYSA-N 2 1 274.452 3.930 10 0 CHAEMP C[C@@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)c1ccoc1 ZINC000178160437 329197057 /nfs/dbraw/zinc/19/70/57/329197057.db2.gz JKPKRZSSQBTBHM-CQSZACIVSA-N 2 1 276.424 3.585 10 0 CHAEMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000226330764 333257268 /nfs/dbraw/zinc/25/72/68/333257268.db2.gz TUFFKCDQAILSQG-XNRPHZJLSA-N 2 1 280.843 3.850 10 0 CHAEMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC2CCC(C(C)(C)C)CC2)C1 ZINC000135881438 334140494 /nfs/dbraw/zinc/14/04/94/334140494.db2.gz MHHJICGSBLADCB-CIDNJEQPSA-N 2 1 266.473 3.508 10 0 CHAEMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC2CCC(C(C)(C)C)CC2)C1 ZINC000135881395 334140535 /nfs/dbraw/zinc/14/05/35/334140535.db2.gz MHHJICGSBLADCB-UIDBIOKJSA-N 2 1 266.473 3.508 10 0 CHAEMP CC[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)C1 ZINC000080426616 334171210 /nfs/dbraw/zinc/17/12/10/334171210.db2.gz URIXOZXEBNSAFL-SJLPKXTDSA-N 2 1 274.452 3.677 10 0 CHAEMP CC[NH+]1CCC([NH2+][C@@H]2C[C@H](C)CC[C@H]2C(C)C)CC1 ZINC000245224680 334185232 /nfs/dbraw/zinc/18/52/32/334185232.db2.gz BHIQOMAFMHLGKE-HYVNUMGLSA-N 2 1 266.473 3.521 10 0 CHAEMP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248062096 334294333 /nfs/dbraw/zinc/29/43/33/334294333.db2.gz LXLNUSWAXWSECQ-ZHCJQAHYSA-N 2 1 266.473 3.520 10 0 CHAEMP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248062096 334294334 /nfs/dbraw/zinc/29/43/34/334294334.db2.gz LXLNUSWAXWSECQ-ZHCJQAHYSA-N 2 1 266.473 3.520 10 0 CHAEMP CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000249385084 334333108 /nfs/dbraw/zinc/33/31/08/334333108.db2.gz YJHKOFHEFLRGLR-DJIMGWMZSA-N 2 1 278.484 3.665 10 0 CHAEMP CC(C)(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000252876458 334398291 /nfs/dbraw/zinc/39/82/91/334398291.db2.gz WGRMGIZYUSHIOQ-SZMVWBNQSA-N 2 1 286.463 3.543 10 0 CHAEMP CC(C)C[N@@H+](C)Cc1c(C[NH3+])sc2cccc(F)c21 ZINC000052452630 519708944 /nfs/dbraw/zinc/70/89/44/519708944.db2.gz AIZYHVYJUMNJTF-UHFFFAOYSA-N 2 1 280.412 3.587 10 0 CHAEMP CCC[NH2+]Cc1ccoc1C[N@@H+](C)[C@H](C)C(C)(C)C ZINC000052504333 519959121 /nfs/dbraw/zinc/95/91/21/519959121.db2.gz DXFBUUSSYSVPSP-CYBMUJFWSA-N 2 1 266.429 3.646 10 0 CHAEMP CCC[NH2+]Cc1occc1C[N@@H+](C)[C@@H](C)CC(C)C ZINC000052571888 519973943 /nfs/dbraw/zinc/97/39/43/519973943.db2.gz BUCGUPBOHMQNMC-AWEZNQCLSA-N 2 1 266.429 3.646 10 0 CHAEMP CCC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1n1cc[nH+]c1C ZINC000054555854 520027188 /nfs/dbraw/zinc/02/71/88/520027188.db2.gz OHQZAEZVFYMKDC-XHSDSOJGSA-N 2 1 263.429 3.557 10 0 CHAEMP CCCC[N@@H+](CC)Cc1ccc(C[NH2+]CCC)cc1 ZINC000052418827 520478031 /nfs/dbraw/zinc/47/80/31/520478031.db2.gz VRSTWFLKHNUVHD-UHFFFAOYSA-N 2 1 262.441 3.808 10 0 CHAEMP CCCC[N@H+](CC)Cc1csc(C[NH2+]C(C)(C)C)n1 ZINC000052418662 520479798 /nfs/dbraw/zinc/47/97/98/520479798.db2.gz AVPMMFQKJVJGMI-UHFFFAOYSA-N 2 1 283.485 3.653 10 0 CHAEMP CCCC[N@@H+](CC)Cc1csc(C[NH2+]C(C)(C)C)n1 ZINC000052418662 520479808 /nfs/dbraw/zinc/47/98/08/520479808.db2.gz AVPMMFQKJVJGMI-UHFFFAOYSA-N 2 1 283.485 3.653 10 0 CHAEMP CC[C@@H](C)C[N@@H+](C)Cc1ccc(C[NH2+]C(C)C)cc1 ZINC000052454339 521972670 /nfs/dbraw/zinc/97/26/70/521972670.db2.gz FJZGOQWTFLVFKO-OAHLLOKOSA-N 2 1 262.441 3.663 10 0 CHAEMP CC(C)(C)[NH2+]CCCCC[N@H+]1CCc2sccc2C1 ZINC000052416579 518755517 /nfs/dbraw/zinc/75/55/17/518755517.db2.gz CKDUFWIHPQDENA-UHFFFAOYSA-N 2 1 280.481 3.665 10 0 CHAEMP CC(C)C[NH2+]CCC[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000062019384 519743522 /nfs/dbraw/zinc/74/35/22/519743522.db2.gz SNXAOTNAQVXWFN-AWEZNQCLSA-N 2 1 282.859 3.969 10 0 CHAEMP CC(C)C[NH2+]Cc1ccccc1C[N@@H+](C)CC(C)C ZINC000052452923 519747742 /nfs/dbraw/zinc/74/77/42/519747742.db2.gz GZWNOECIQLGTME-UHFFFAOYSA-N 2 1 262.441 3.520 10 0 CHAEMP CC(C)[C@@H](C)[N@@H+](C)Cc1c2ccccc2sc1C[NH3+] ZINC000052478537 519791148 /nfs/dbraw/zinc/79/11/48/519791148.db2.gz LXNQGQNQIZHCHS-GFCCVEGCSA-N 2 1 276.449 3.836 10 0 CHAEMP CCCC1CCC([NH2+]CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000052206051 519898551 /nfs/dbraw/zinc/89/85/51/519898551.db2.gz BNXUTHAWSUKDEX-OFLPRAFFSA-N 2 1 266.473 3.809 10 0 CHAEMP CC[NH2+]Cc1cc(C[N@@H+](C)[C@@H](C)C(C)(C)C)oc1C ZINC000052504347 519988186 /nfs/dbraw/zinc/98/81/86/519988186.db2.gz OYDSJCMJUGXMLG-ZDUSSCGKSA-N 2 1 266.429 3.564 10 0 CHAEMP CC[NH2+]Cc1oc(C[N@@H+](C)[C@@H](C)CC(C)C)cc1C ZINC000052572173 520027567 /nfs/dbraw/zinc/02/75/67/520027567.db2.gz XSPKMLSDRUCKOT-AWEZNQCLSA-N 2 1 266.429 3.564 10 0 CHAEMP CCC[N@@H+](Cc1cc(C[NH2+]C(C)C)oc1C)C(C)C ZINC000052450608 521681027 /nfs/dbraw/zinc/68/10/27/521681027.db2.gz DZLBUIUPKCEYQB-UHFFFAOYSA-N 2 1 266.429 3.706 10 0 CHAEMP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)c1cccs1 ZINC000049529398 522728014 /nfs/dbraw/zinc/72/80/14/522728014.db2.gz MVSAZKWSWUPUMP-XDQVBPFNSA-N 2 1 266.454 3.518 10 0 CHAEMP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1cccs1 ZINC000049529398 522728017 /nfs/dbraw/zinc/72/80/17/522728017.db2.gz MVSAZKWSWUPUMP-XDQVBPFNSA-N 2 1 266.454 3.518 10 0 CHAEMP Cc1cccc(C[N@H+](C)[C@@H](C)CC[NH2+]C(C)(C)C)c1 ZINC000052346074 524378449 /nfs/dbraw/zinc/37/84/49/524378449.db2.gz VUWUIGCHZGGZJI-HNNXBMFYSA-N 2 1 262.441 3.594 10 0 CHAEMP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C[N@@H+](C)[C@@H](C)CC(C)C ZINC000104010129 185881224 /nfs/dbraw/zinc/88/12/24/185881224.db2.gz JKDXPSSBXURXBT-YYIAUSFCSA-N 2 1 268.489 3.767 10 0 CHAEMP CC[NH+](CC)CC[C@@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000020274001 171130519 /nfs/dbraw/zinc/13/05/19/171130519.db2.gz BUFGQDIZIHTBSE-CYBMUJFWSA-N 2 1 275.223 3.725 10 0 CHAEMP CC[C@@H](C)C[C@H](CC)[NH2+]C[C@@H](C(C)C)[NH+]1CCCC1 ZINC000020550305 171246935 /nfs/dbraw/zinc/24/69/35/171246935.db2.gz GDCQZOIIUMBYIG-IKGGRYGDSA-N 2 1 268.489 3.911 10 0 CHAEMP C[C@@H]1CCCC[C@@H]1[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000021812232 171329805 /nfs/dbraw/zinc/32/98/05/171329805.db2.gz ZETGRTJIZYRIIM-AEFFLSMTSA-N 2 1 274.452 3.677 10 0 CHAEMP [NH3+][C@H]1CCCC[C@@H]1Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000038050615 174062389 /nfs/dbraw/zinc/06/23/89/174062389.db2.gz FLFRSWXQLFLIPI-JSGCOSHPSA-N 2 1 275.783 3.570 10 0 CHAEMP Cc1[nH+]ccn1C[C@@H]([NH3+])c1ccc(-c2ccccc2)cc1 ZINC000038827586 174155842 /nfs/dbraw/zinc/15/58/42/174155842.db2.gz BWXXBIUNIMYBCU-GOSISDBHSA-N 2 1 277.371 3.559 10 0 CHAEMP Cc1cccc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[nH+]1 ZINC000301978750 261345228 /nfs/dbraw/zinc/34/52/28/261345228.db2.gz ADOUFKHLZTVPAT-FUHWJXTLSA-N 2 1 295.430 3.855 10 0 CHAEMP Cc1cccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[nH+]1 ZINC000301978750 261345229 /nfs/dbraw/zinc/34/52/29/261345229.db2.gz ADOUFKHLZTVPAT-FUHWJXTLSA-N 2 1 295.430 3.855 10 0 CHAEMP CC(C)CC[N@@H+](CCC1CC[NH2+]CC1)C1CCCC1 ZINC000094849352 265264047 /nfs/dbraw/zinc/26/40/47/265264047.db2.gz WXKPBRYXGYLSKL-UHFFFAOYSA-N 2 1 266.473 3.667 10 0 CHAEMP CC(C)c1ccc([C@H](C)[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261732244 327080503 /nfs/dbraw/zinc/08/05/03/327080503.db2.gz LFRLWFWYGVAEBZ-YOEHRIQHSA-N 2 1 274.452 3.930 10 0 CHAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000180127857 329211755 /nfs/dbraw/zinc/21/17/55/329211755.db2.gz ZEODJJMRZGKTFW-JLJPHGGASA-N 2 1 299.418 3.573 10 0 CHAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000180127857 329211757 /nfs/dbraw/zinc/21/17/57/329211757.db2.gz ZEODJJMRZGKTFW-JLJPHGGASA-N 2 1 299.418 3.573 10 0 CHAEMP Cc1cccc(N2CCC([NH2+][C@@H]3CCCC[C@@H]3C)CC2)[nH+]1 ZINC000128187082 329605617 /nfs/dbraw/zinc/60/56/17/329605617.db2.gz VXEWCZRKEIYFNC-WMLDXEAASA-N 2 1 287.451 3.527 10 0 CHAEMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000223399664 333207497 /nfs/dbraw/zinc/20/74/97/333207497.db2.gz HUDLQVBNAPXDHT-ILXRZTDVSA-N 2 1 254.462 3.521 10 0 CHAEMP CC1(C)CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000381894807 336076169 /nfs/dbraw/zinc/07/61/69/336076169.db2.gz FTETWKFSRSQAJN-MKXGPGLRSA-N 2 1 298.474 3.675 10 0 CHAEMP CC1(C)CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000381894220 336076191 /nfs/dbraw/zinc/07/61/91/336076191.db2.gz FTETWKFSRSQAJN-HCXYKTFWSA-N 2 1 298.474 3.675 10 0 CHAEMP CC(C)[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000382085362 336081473 /nfs/dbraw/zinc/08/14/73/336081473.db2.gz XEYVHZBVXNYHFH-JCHJZTRSSA-N 2 1 286.463 3.531 10 0 CHAEMP CC(C)[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000382085364 336081515 /nfs/dbraw/zinc/08/15/15/336081515.db2.gz XEYVHZBVXNYHFH-WZGPROSRSA-N 2 1 286.463 3.531 10 0 CHAEMP CC(C)CC[N@@H+](C)Cc1cccc(C[NH2+]C(C)C)c1 ZINC000052545816 519650507 /nfs/dbraw/zinc/65/05/07/519650507.db2.gz IAPDOFYXOBTLAT-UHFFFAOYSA-N 2 1 262.441 3.663 10 0 CHAEMP CCCCC[N@@H+](C)Cc1ccoc1C[NH2+]C(C)(C)C ZINC000052454962 520151090 /nfs/dbraw/zinc/15/10/90/520151090.db2.gz SHPBQWQOONCGQT-UHFFFAOYSA-N 2 1 266.429 3.790 10 0 CHAEMP CCC[N@@H+](Cc1ccc(C[NH2+]C(C)(C)C)o1)C(C)C ZINC000052450296 521683902 /nfs/dbraw/zinc/68/39/02/521683902.db2.gz NLVIMUCOTRITTP-UHFFFAOYSA-N 2 1 266.429 3.788 10 0 CHAEMP CC(C)[NH2+]Cc1ccc(C[N@@H+](C)C2CCCC2)cc1 ZINC000052444938 519726788 /nfs/dbraw/zinc/72/67/88/519726788.db2.gz VJXFSYSBBSMOMV-UHFFFAOYSA-N 2 1 260.425 3.559 10 0 CHAEMP CCC[NH2+]C[C@@H](c1ccccc1)[N@H+](C)[C@@H](C)C(C)C ZINC000052478671 519921734 /nfs/dbraw/zinc/92/17/34/519921734.db2.gz ROVOMZONPOZQMV-RDJZCZTQSA-N 2 1 262.441 3.704 10 0 CHAEMP CCC[NH2+]C[C@@H](c1ccccc1)[N@@H+](C)[C@@H](C)C(C)C ZINC000052478671 519921738 /nfs/dbraw/zinc/92/17/38/519921738.db2.gz ROVOMZONPOZQMV-RDJZCZTQSA-N 2 1 262.441 3.704 10 0 CHAEMP CCC[NH2+]Cc1cc(C[N@@H+](C)[C@@H](C)C(C)C)c(C)o1 ZINC000052478641 519946311 /nfs/dbraw/zinc/94/63/11/519946311.db2.gz RMHYHUPSBDDAKF-ZDUSSCGKSA-N 2 1 266.429 3.564 10 0 CHAEMP CCC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1n1cc[nH+]c1C ZINC000054555856 520024669 /nfs/dbraw/zinc/02/46/69/520024669.db2.gz OHQZAEZVFYMKDC-OAGGEKHMSA-N 2 1 263.429 3.557 10 0 CHAEMP CCC(CC)(C[NH2+]C)C[N@@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000051251822 521440920 /nfs/dbraw/zinc/44/09/20/521440920.db2.gz XIIUXXQMCNTBKC-LSDHHAIUSA-N 2 1 254.462 3.523 10 0 CHAEMP CCC(CC)C[N@H+](CC)[C@@H](C[NH2+]C)c1ccccc1 ZINC000052540749 521523252 /nfs/dbraw/zinc/52/32/52/521523252.db2.gz DUGSARUKGOXWPQ-KRWDZBQOSA-N 2 1 262.441 3.705 10 0 CHAEMP CCC(CC)C[N@@H+](CC)[C@@H](C[NH2+]C)c1ccccc1 ZINC000052540749 521523263 /nfs/dbraw/zinc/52/32/63/521523263.db2.gz DUGSARUKGOXWPQ-KRWDZBQOSA-N 2 1 262.441 3.705 10 0 CHAEMP CC[C@@H](C)[N@@H+](CC)Cc1ccccc1C[NH2+]C(C)C ZINC000052451541 522084251 /nfs/dbraw/zinc/08/42/51/522084251.db2.gz WKBROIILRXGNCJ-OAHLLOKOSA-N 2 1 262.441 3.805 10 0 CHAEMP CC[C@@H]([C@H]([NH3+])c1ccccc1)n1cc[nH+]c1C(C)C ZINC000020261740 171119349 /nfs/dbraw/zinc/11/93/49/171119349.db2.gz RQVDLAMZPFDPNM-LSDHHAIUSA-N 2 1 257.381 3.658 10 0 CHAEMP Cc1cc(C)c(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)c(C)c1 ZINC000021789478 171323523 /nfs/dbraw/zinc/32/35/23/171323523.db2.gz CPYRSYHHKDCSEE-GOSISDBHSA-N 2 1 288.479 3.966 10 0 CHAEMP C[C@@H]1CCCC[C@H]1[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000021812234 171329550 /nfs/dbraw/zinc/32/95/50/171329550.db2.gz ZETGRTJIZYRIIM-SJLPKXTDSA-N 2 1 274.452 3.677 10 0 CHAEMP C[C@@H]1CCC[C@H](C)C1[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000021818484 171333546 /nfs/dbraw/zinc/33/35/46/171333546.db2.gz OWNYPJGEJVWEOT-TVXGVJEUSA-N 2 1 266.473 3.665 10 0 CHAEMP C[C@@H]([NH2+]CC1([NH+](C)C)CCCCC1)C1CCCCC1 ZINC000037216993 173036037 /nfs/dbraw/zinc/03/60/37/173036037.db2.gz GFDPGYKAECCKNG-OAHLLOKOSA-N 2 1 266.473 3.809 10 0 CHAEMP C[C@H](c1ccccc1)[N@H+](CC[NH3+])CC1CCCCC1 ZINC000076671513 177053823 /nfs/dbraw/zinc/05/38/23/177053823.db2.gz ZSSYZPQOTOOIPI-OAHLLOKOSA-N 2 1 260.425 3.589 10 0 CHAEMP C[C@H](c1ccccc1)[N@@H+](CC[NH3+])CC1CCCCC1 ZINC000076671513 177053824 /nfs/dbraw/zinc/05/38/24/177053824.db2.gz ZSSYZPQOTOOIPI-OAHLLOKOSA-N 2 1 260.425 3.589 10 0 CHAEMP Cc1cccc([C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000157479064 264389172 /nfs/dbraw/zinc/38/91/72/264389172.db2.gz HJLMKFYNAQFXEB-MORSLUCNSA-N 2 1 266.388 3.790 10 0 CHAEMP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)c2ccc(C(C)(C)C)cc2)C1 ZINC000040593064 328013838 /nfs/dbraw/zinc/01/38/38/328013838.db2.gz JOOQYDVCIVPLTJ-JKSUJKDBSA-N 2 1 288.479 3.977 10 0 CHAEMP Cc1ccc(N2CCC([NH2+][C@H](C)CCC3CC3)CC2)[nH+]c1 ZINC000186355752 329343609 /nfs/dbraw/zinc/34/36/09/329343609.db2.gz VLYQOUXNXBBICA-OAHLLOKOSA-N 2 1 287.451 3.527 10 0 CHAEMP C[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)c1cccc2ccccc21 ZINC000396726236 330223856 /nfs/dbraw/zinc/22/38/56/330223856.db2.gz UHZGNTAFIUMKCX-DEYYWGMASA-N 2 1 268.404 3.631 10 0 CHAEMP CCC(CC)[C@@H](C[NH2+][C@@H]1CC[C@@H](CC)C1)[NH+](C)C ZINC000227188863 333277779 /nfs/dbraw/zinc/27/77/79/333277779.db2.gz XUMNSQROPSIZLE-FVQBIDKESA-N 2 1 254.462 3.521 10 0 CHAEMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3)C[C@@H]21 ZINC000230125807 333314793 /nfs/dbraw/zinc/31/47/93/333314793.db2.gz MHKFWAOGSZMWSL-TUKIKUTGSA-N 2 1 299.245 3.553 10 0 CHAEMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(Cl)cc(Cl)c3)C[C@@H]21 ZINC000230125807 333314794 /nfs/dbraw/zinc/31/47/94/333314794.db2.gz MHKFWAOGSZMWSL-TUKIKUTGSA-N 2 1 299.245 3.553 10 0 CHAEMP CCCCC[N@@H+](C)Cc1ccc(C[NH2+]C(C)C)cc1 ZINC000052454898 520153209 /nfs/dbraw/zinc/15/32/09/520153209.db2.gz XSMUSYHXSYARCN-UHFFFAOYSA-N 2 1 262.441 3.807 10 0 CHAEMP CCC[N@@H+](Cc1ccoc1C[NH2+]C(C)(C)C)C1CC1 ZINC000052449293 521691375 /nfs/dbraw/zinc/69/13/75/521691375.db2.gz ZHFHYOSEWAFODC-UHFFFAOYSA-N 2 1 264.413 3.542 10 0 CHAEMP CC[C@@H](C)C[N@@H+](C)Cc1occc1C[NH2+]C(C)(C)C ZINC000052453966 521971098 /nfs/dbraw/zinc/97/10/98/521971098.db2.gz FYZGVPBIFHRRPY-CYBMUJFWSA-N 2 1 266.429 3.646 10 0 CHAEMP CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)c(Cl)c1 ZINC000061698337 520073869 /nfs/dbraw/zinc/07/38/69/520073869.db2.gz PNLVVFNCVMRMBR-JTQLQIEISA-N 2 1 263.772 3.505 10 0 CHAEMP CCC(CC)C[N@@H+](CC)[C@@H](C)CC[NH2+]C(C)(C)C ZINC000052540759 521523784 /nfs/dbraw/zinc/52/37/84/521523784.db2.gz RQZAPRALYLFZLL-AWEZNQCLSA-N 2 1 256.478 3.911 10 0 CHAEMP CCC(CC)[N@@H+](C)Cc1cc(C[NH2+]C(C)C)c(C)o1 ZINC000052478044 521541891 /nfs/dbraw/zinc/54/18/91/521541891.db2.gz FXNXOYDPUFESEX-UHFFFAOYSA-N 2 1 266.429 3.706 10 0 CHAEMP CC[N@H+]1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)C2CCCCC2)C1 ZINC000052333094 521650649 /nfs/dbraw/zinc/65/06/49/521650649.db2.gz WDWJETFICSURHE-UXLLHSPISA-N 2 1 266.473 3.665 10 0 CHAEMP CC[C@@H](C1CCCCC1)[N@@H+]1CC[C@@H](C)[NH2+][C@@H](C)CC1 ZINC000052342493 522464141 /nfs/dbraw/zinc/46/41/41/522464141.db2.gz BWNWRNAXCOWPNM-UXLLHSPISA-N 2 1 266.473 3.808 10 0 CHAEMP CC[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)C1CCCCC1 ZINC000052338741 522600254 /nfs/dbraw/zinc/60/02/54/522600254.db2.gz WEQLYTXJCQBLJR-SJORKVTESA-N 2 1 266.473 3.809 10 0 CHAEMP CC[C@H](C)[N@@H+](C)Cc1cc(C[NH2+]C(C)(C)C)oc1C ZINC000052444295 523922268 /nfs/dbraw/zinc/92/22/68/523922268.db2.gz YEPFAGRYMFOTTD-LBPRGKRZSA-N 2 1 266.429 3.706 10 0 CHAEMP Cc1ccsc1[C@H]([C@H](C)[NH3+])[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC000050563439 525890825 /nfs/dbraw/zinc/89/08/25/525890825.db2.gz LWPITNUJUSHKPL-PYJNHQTQSA-N 2 1 266.454 3.565 10 0 CHAEMP Cc1ccsc1[C@H]([C@H](C)[NH3+])[N@H+]1CCC[C@H](C)[C@@H]1C ZINC000050563439 525890828 /nfs/dbraw/zinc/89/08/28/525890828.db2.gz LWPITNUJUSHKPL-PYJNHQTQSA-N 2 1 266.454 3.565 10 0 CHAEMP Cc1cccc(C[NH+]2CCC[C@@]3(CC[N@H+](C(C)C)C3)C2)c1 ZINC000014972497 567870008 /nfs/dbraw/zinc/87/00/08/567870008.db2.gz DIHMIDVSQZTGEW-LJQANCHMSA-N 2 1 286.463 3.691 10 0 CHAEMP Cc1cccc(C[N@H+]2CCC[C@@]3(CC[NH+](C(C)C)C3)C2)c1 ZINC000014972497 567870009 /nfs/dbraw/zinc/87/00/09/567870009.db2.gz DIHMIDVSQZTGEW-LJQANCHMSA-N 2 1 286.463 3.691 10 0 CHAEMP Cc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C(C)C)C3)C2)c1 ZINC000014972497 567870010 /nfs/dbraw/zinc/87/00/10/567870010.db2.gz DIHMIDVSQZTGEW-LJQANCHMSA-N 2 1 286.463 3.691 10 0 CHAEMP [NH3+][C@H](CC[NH+]1CCCCCC1)c1ccc(Cl)cc1 ZINC000020273998 171130494 /nfs/dbraw/zinc/13/04/94/171130494.db2.gz WUAADKHHMXKFJC-OAHLLOKOSA-N 2 1 266.816 3.606 10 0 CHAEMP C[C@H]1CC(C)(C)C[C@](C[NH3+])([N@H+]2CCc3ccccc3C2)C1 ZINC000020552831 171248223 /nfs/dbraw/zinc/24/82/23/171248223.db2.gz LNLOQXIKTZDOKA-HNAYVOBHSA-N 2 1 286.463 3.588 10 0 CHAEMP C[C@H](CCc1ccccc1)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000021010331 171286890 /nfs/dbraw/zinc/28/68/90/171286890.db2.gz LRQCXDVTYHKZGG-MSOLQXFVSA-N 2 1 288.479 3.862 10 0 CHAEMP CC(C)[C@H](C[NH2+][C@H]1C[C@@H](C)CC[C@@H]1C(C)C)[NH+](C)C ZINC000021501193 171305410 /nfs/dbraw/zinc/30/54/10/171305410.db2.gz WYZDTENYNYPFQZ-YVSFHVDLSA-N 2 1 268.489 3.623 10 0 CHAEMP CC(C)CC[C@@H](C)[NH2+]C[C@@H](C(C)C)[NH+]1CCCC1 ZINC000021514871 171311964 /nfs/dbraw/zinc/31/19/64/171311964.db2.gz IEIOMESVALJAIP-CVEARBPZSA-N 2 1 254.462 3.521 10 0 CHAEMP Cc1cc(C)c(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c(C)c1 ZINC000021789482 171323167 /nfs/dbraw/zinc/32/31/67/171323167.db2.gz CPYRSYHHKDCSEE-SFHVURJKSA-N 2 1 288.479 3.966 10 0 CHAEMP CCC(CC)[C@@H](C[NH2+][C@@H](C)CCC(C)C)[NH+](C)C ZINC000021801438 171326326 /nfs/dbraw/zinc/32/63/26/171326326.db2.gz NLTGRHLJYDHWQM-GOEBONIOSA-N 2 1 256.478 3.767 10 0 CHAEMP C[C@@H]1CCC[N@@H+](CCC[C@H]([NH3+])c2ccccc2)[C@@H]1C ZINC000071402043 176153750 /nfs/dbraw/zinc/15/37/50/176153750.db2.gz HSLHQVNYJIRDOZ-INMHGKMJSA-N 2 1 260.425 3.587 10 0 CHAEMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000128488261 260374849 /nfs/dbraw/zinc/37/48/49/260374849.db2.gz AYYPCQBEENVURK-SFHVURJKSA-N 2 1 270.420 3.645 10 0 CHAEMP Cc1cccc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[nH+]1 ZINC000129238914 260386428 /nfs/dbraw/zinc/38/64/28/260386428.db2.gz ADOUFKHLZTVPAT-AEFFLSMTSA-N 2 1 295.430 3.855 10 0 CHAEMP Cc1cccc(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[nH+]1 ZINC000129238914 260386429 /nfs/dbraw/zinc/38/64/29/260386429.db2.gz ADOUFKHLZTVPAT-AEFFLSMTSA-N 2 1 295.430 3.855 10 0 CHAEMP CC(C)(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)s1 ZINC000228533769 262340648 /nfs/dbraw/zinc/34/06/48/262340648.db2.gz CSPNJQHDAOWLED-NWANDNLSSA-N 2 1 292.492 3.605 10 0 CHAEMP Cc1ccccc1[C@H](C)[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000049856248 328380271 /nfs/dbraw/zinc/38/02/71/328380271.db2.gz PPODYTVMVVTOTQ-HOTGVXAUSA-N 2 1 260.425 3.520 10 0 CHAEMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000049856219 328380434 /nfs/dbraw/zinc/38/04/34/328380434.db2.gz LGLQMRLJQQDCEN-BBRMVZONSA-N 2 1 280.843 3.865 10 0 CHAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cc2ccccc2o1 ZINC000178543995 329198346 /nfs/dbraw/zinc/19/83/46/329198346.db2.gz XPYDLJNCGHJCSA-INIZCTEOSA-N 2 1 295.386 3.602 10 0 CHAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cc2ccccc2o1 ZINC000178543995 329198348 /nfs/dbraw/zinc/19/83/48/329198348.db2.gz XPYDLJNCGHJCSA-INIZCTEOSA-N 2 1 295.386 3.602 10 0 CHAEMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1Cl ZINC000400501011 332712187 /nfs/dbraw/zinc/71/21/87/332712187.db2.gz INFVRTONTXUDBH-GARJFASQSA-N 2 1 287.234 3.642 10 0 CHAEMP CC[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000309783441 333049515 /nfs/dbraw/zinc/04/95/15/333049515.db2.gz LTSXXLRKRVSHOG-WDSOQIARSA-N 2 1 288.479 3.921 10 0 CHAEMP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000248062092 334294492 /nfs/dbraw/zinc/29/44/92/334294492.db2.gz LXLNUSWAXWSECQ-NQNKBUKLSA-N 2 1 266.473 3.520 10 0 CHAEMP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000248062092 334294493 /nfs/dbraw/zinc/29/44/93/334294493.db2.gz LXLNUSWAXWSECQ-NQNKBUKLSA-N 2 1 266.473 3.520 10 0 CHAEMP CC(C)C[NH2+]C[C@@H]1CC[N@H+](C2CCCCCCC2)C1 ZINC000053011161 519745070 /nfs/dbraw/zinc/74/50/70/519745070.db2.gz UODFFQUAAQECSG-INIZCTEOSA-N 2 1 266.473 3.667 10 0 CHAEMP CCCC[N@@H+](C)Cc1c2ccccc2sc1C[NH2+]C ZINC000052417863 520419695 /nfs/dbraw/zinc/41/96/95/520419695.db2.gz FVDWJFASWSAQNN-UHFFFAOYSA-N 2 1 276.449 3.853 10 0 CHAEMP CC(C)C[N@@H+](Cc1ccoc1C[NH2+]C(C)C)C(C)C ZINC000052572579 519718634 /nfs/dbraw/zinc/71/86/34/519718634.db2.gz OHBKINPJWXGAHH-UHFFFAOYSA-N 2 1 266.429 3.644 10 0 CHAEMP CC(C)[NH2+]CCCCC[N@H+]1CCc2sccc2[C@H]1C ZINC000052505549 519720687 /nfs/dbraw/zinc/72/06/87/519720687.db2.gz XFVNPOQJGSDKRM-CQSZACIVSA-N 2 1 280.481 3.836 10 0 CHAEMP CC(C)C[NH2+]Cc1occc1C[N@@H+](C)[C@@H](C)C(C)C ZINC000052478663 519749105 /nfs/dbraw/zinc/74/91/05/519749105.db2.gz XQUUSZHWGXZGDL-AWEZNQCLSA-N 2 1 266.429 3.502 10 0 CHAEMP CCC[NH2+]Cc1nc(C[N@H+](C)[C@H](C)C(C)(C)C)cs1 ZINC000052504223 519966270 /nfs/dbraw/zinc/96/62/70/519966270.db2.gz VILXCLNGZOUHNK-GFCCVEGCSA-N 2 1 283.485 3.509 10 0 CHAEMP CCC[NH2+]Cc1nc(C[N@@H+](C)[C@H](C)C(C)(C)C)cs1 ZINC000052504223 519966277 /nfs/dbraw/zinc/96/62/77/519966277.db2.gz VILXCLNGZOUHNK-GFCCVEGCSA-N 2 1 283.485 3.509 10 0 CHAEMP CC[NH2+]Cc1cc(C[N@@H+](C)[C@@H](C)CC(C)C)c(C)o1 ZINC000052572071 519987524 /nfs/dbraw/zinc/98/75/24/519987524.db2.gz PYENAYGPVQGEBN-ZDUSSCGKSA-N 2 1 266.429 3.564 10 0 CHAEMP CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)c(Cl)c1 ZINC000061698338 520176067 /nfs/dbraw/zinc/17/60/67/520176067.db2.gz PNLVVFNCVMRMBR-SNVBAGLBSA-N 2 1 263.772 3.505 10 0 CHAEMP CCC(C)(C)[NH2+]C[C@@H](C)[NH+]1CCC(C)(CC)CC1 ZINC000062958735 521352667 /nfs/dbraw/zinc/35/26/67/521352667.db2.gz QTDHVGBRAPYIGL-CQSZACIVSA-N 2 1 254.462 3.665 10 0 CHAEMP CC[N@@H+](Cc1ccccc1C[NH2+]C(C)(C)C)C1CC1 ZINC000052452284 521380194 /nfs/dbraw/zinc/38/01/94/521380194.db2.gz HEOITODCBOKQOO-UHFFFAOYSA-N 2 1 260.425 3.559 10 0 CHAEMP CC[N@@H+](Cc1ccoc1C[NH2+]C(C)C)C1CCCC1 ZINC000052457722 521424018 /nfs/dbraw/zinc/42/40/18/521424018.db2.gz PAOQGPIMGZDVNH-UHFFFAOYSA-N 2 1 264.413 3.542 10 0 CHAEMP CCC[N@@H+](CC)Cc1cc(C)c(C[NH2+]CC(C)C)o1 ZINC000052448707 521613256 /nfs/dbraw/zinc/61/32/56/521613256.db2.gz AHAWEOQQJAKPAI-UHFFFAOYSA-N 2 1 266.429 3.566 10 0 CHAEMP CCC[N@@H+](CC)Cc1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000052448522 521614740 /nfs/dbraw/zinc/61/47/40/521614740.db2.gz WRMIXEQRNKKDCE-UHFFFAOYSA-N 2 1 262.441 3.807 10 0 CHAEMP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1cccs1 ZINC000227539671 522727101 /nfs/dbraw/zinc/72/71/01/522727101.db2.gz KEQBZKQFVDLGBR-QLFBSQMISA-N 2 1 272.417 3.934 10 0 CHAEMP C[N@@H+](CCC[C@H]1CCCC[NH2+]1)Cc1ccccc1Cl ZINC000050953075 522789265 /nfs/dbraw/zinc/78/92/65/522789265.db2.gz CINQISDKPAXABB-OAHLLOKOSA-N 2 1 280.843 3.694 10 0 CHAEMP CC[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C)C1)c1cccs1 ZINC000049529331 522911301 /nfs/dbraw/zinc/91/13/01/522911301.db2.gz RRQMZSLJLZZCED-BFHYXJOUSA-N 2 1 266.454 3.519 10 0 CHAEMP CC[C@H]1CCCC[N@H+]1CC(C)(C)C[NH2+]CC(C)C ZINC000051215253 523019354 /nfs/dbraw/zinc/01/93/54/523019354.db2.gz UUOPSHQUCITXDM-HNNXBMFYSA-N 2 1 254.462 3.523 10 0 CHAEMP CC[C@H]1CCCC[N@H+]1CCCCC[NH2+]C(C)(C)C ZINC000052447779 523019888 /nfs/dbraw/zinc/01/98/88/523019888.db2.gz PWJIEQREFJBGTN-HNNXBMFYSA-N 2 1 254.462 3.809 10 0 CHAEMP CC[C@H]1CCC[N@@H+](CCCCC[NH2+]C(C)(C)C)C1 ZINC000052479844 523086815 /nfs/dbraw/zinc/08/68/15/523086815.db2.gz KCDWVFXKNGWMJV-HNNXBMFYSA-N 2 1 254.462 3.667 10 0 CHAEMP CC[C@H](C)[N@@H+](CC)Cc1cc(C)c(C[NH2+]C(C)C)o1 ZINC000052451665 523934495 /nfs/dbraw/zinc/93/44/95/523934495.db2.gz LQAQMMWDZLIESA-AWEZNQCLSA-N 2 1 266.429 3.706 10 0 CHAEMP C[C@@H]1CCCC[C@@H]1[N@@H+](C)CCCC[NH2+]C(C)(C)C ZINC000052546515 524131609 /nfs/dbraw/zinc/13/16/09/524131609.db2.gz GQYRMVWTWZMJTI-CABCVRRESA-N 2 1 254.462 3.665 10 0 CHAEMP C[C@H](C[NH2+]C(C)(C)C)C[N@@H+](C)Cc1cccc(Cl)c1 ZINC000052508020 524475975 /nfs/dbraw/zinc/47/59/75/524475975.db2.gz IPCWRKYGJOQYRG-CYBMUJFWSA-N 2 1 282.859 3.796 10 0 CHAEMP Cc1ccc(N2CCC([NH2+][C@H]3CCCC[C@H]3C)CC2)[nH+]c1 ZINC000163510423 524943778 /nfs/dbraw/zinc/94/37/78/524943778.db2.gz IYFRGVVLHROVNX-WBVHZDCISA-N 2 1 287.451 3.527 10 0 CHAEMP CCC(C)(C)C1CCC2(CC1)[C@@H]([NH3+])CC[N@H+]2C(C)C ZINC000712012439 567836747 /nfs/dbraw/zinc/83/67/47/567836747.db2.gz NRLHFVAKPXFJQH-CKDBGZEDSA-N 2 1 266.473 3.793 10 0 CHAEMP CC[C@@H](C)C[C@@](CC)(C[NH3+])[N@H+](C)Cc1ccsc1 ZINC000035719083 172372739 /nfs/dbraw/zinc/37/27/39/172372739.db2.gz YOYREZVYFDPOHB-HIFRSBDPSA-N 2 1 268.470 3.724 10 0 CHAEMP CC[C@@H](C)C[C@@](CC)(C[NH3+])[N@@H+](C)Cc1ccsc1 ZINC000035719083 172372742 /nfs/dbraw/zinc/37/27/42/172372742.db2.gz YOYREZVYFDPOHB-HIFRSBDPSA-N 2 1 268.470 3.724 10 0 CHAEMP C[N@H+](Cc1ccsc1)C1(C[NH3+])CCCCCCC1 ZINC000035719046 172372777 /nfs/dbraw/zinc/37/27/77/172372777.db2.gz UDLBMRGJTFEKCJ-UHFFFAOYSA-N 2 1 266.454 3.622 10 0 CHAEMP C[N@@H+](Cc1ccsc1)C1(C[NH3+])CCCCCCC1 ZINC000035719046 172372778 /nfs/dbraw/zinc/37/27/78/172372778.db2.gz UDLBMRGJTFEKCJ-UHFFFAOYSA-N 2 1 266.454 3.622 10 0 CHAEMP CC[C@H](C)C[C@@](CC)(C[NH3+])[N@H+](C)Cc1ccsc1 ZINC000035719085 172373284 /nfs/dbraw/zinc/37/32/84/172373284.db2.gz YOYREZVYFDPOHB-ZFWWWQNUSA-N 2 1 268.470 3.724 10 0 CHAEMP CC[C@H](C)C[C@@](CC)(C[NH3+])[N@@H+](C)Cc1ccsc1 ZINC000035719085 172373285 /nfs/dbraw/zinc/37/32/85/172373285.db2.gz YOYREZVYFDPOHB-ZFWWWQNUSA-N 2 1 268.470 3.724 10 0 CHAEMP CC(C)=CC[NH+]1CCC([NH2+][C@@H](C)CCC(C)C)CC1 ZINC000037218641 173037261 /nfs/dbraw/zinc/03/72/61/173037261.db2.gz PSVBZVAJTALZQM-INIZCTEOSA-N 2 1 266.473 3.831 10 0 CHAEMP C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000037220190 173038405 /nfs/dbraw/zinc/03/84/05/173038405.db2.gz KVYKLFJHDWFYKU-GZBFAFLISA-N 2 1 280.843 3.721 10 0 CHAEMP CCC[N@H+]([C@@H](c1cccs1)C(C)C)[C@H]1CC[NH2+]C1 ZINC000071315045 176121517 /nfs/dbraw/zinc/12/15/17/176121517.db2.gz DNKXINKHNFPUCH-DZGCQCFKSA-N 2 1 266.454 3.519 10 0 CHAEMP CCC[N@@H+]([C@@H](c1cccs1)C(C)C)[C@H]1CC[NH2+]C1 ZINC000071315045 176121518 /nfs/dbraw/zinc/12/15/18/176121518.db2.gz DNKXINKHNFPUCH-DZGCQCFKSA-N 2 1 266.454 3.519 10 0 CHAEMP Cc1cc(C(C)(C)C)cc(C)c1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094342100 265238686 /nfs/dbraw/zinc/23/86/86/265238686.db2.gz JMUZSJJLAYTFCM-QAPCUYQASA-N 2 1 288.479 3.770 10 0 CHAEMP Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCC[N@H+]2C)cc1F ZINC000094955365 265278795 /nfs/dbraw/zinc/27/87/95/265278795.db2.gz JVRMJRNIYQRYIZ-HOCLYGCPSA-N 2 1 278.415 3.659 10 0 CHAEMP Cc1cc(C(C)(C)C)cc(C)c1C[N@H+](C)C1CC[NH2+]CC1 ZINC000036301110 330253837 /nfs/dbraw/zinc/25/38/37/330253837.db2.gz FLKGKAYIZWHMCD-UHFFFAOYSA-N 2 1 288.479 3.785 10 0 CHAEMP CC(C)c1ccc(C[N@H+]2CCCC[C@H]2[C@H](C)[NH3+])cc1 ZINC000227024354 333273719 /nfs/dbraw/zinc/27/37/19/333273719.db2.gz WTRXIRWWFMDUKU-YOEHRIQHSA-N 2 1 260.425 3.512 10 0 CHAEMP CC(C)c1ccc(C[N@@H+]2CCCC[C@H]2[C@H](C)[NH3+])cc1 ZINC000227024354 333273720 /nfs/dbraw/zinc/27/37/20/333273720.db2.gz WTRXIRWWFMDUKU-YOEHRIQHSA-N 2 1 260.425 3.512 10 0 CHAEMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC1CCC(C(C)(C)C)CC1 ZINC000135424293 334129307 /nfs/dbraw/zinc/12/93/07/334129307.db2.gz VTXFSNGSRWRDCW-YHNBSYBMSA-N 2 1 266.473 3.508 10 0 CHAEMP CC(C)[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccccc1Cl ZINC000091335722 334376551 /nfs/dbraw/zinc/37/65/51/334376551.db2.gz PYKXMUYGXVAXJC-PBHICJAKSA-N 2 1 294.870 3.969 10 0 CHAEMP CC(C)C[NH2+]CCC[C@@H](C)[N@@H+](CC(C)C)C1CC1 ZINC000052515844 519743649 /nfs/dbraw/zinc/74/36/49/519743649.db2.gz HIVITMBAODFYLL-OAHLLOKOSA-N 2 1 254.462 3.521 10 0 CHAEMP CC(C)C[NH2+]C[C@@H](C)C[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000052517476 519744450 /nfs/dbraw/zinc/74/44/50/519744450.db2.gz PRMZJMRXGQIVON-NVXWUHKLSA-N 2 1 266.473 3.523 10 0 CHAEMP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)CCCC(C)C ZINC000054629676 519910588 /nfs/dbraw/zinc/91/05/88/519910588.db2.gz IJZVRKADKKLCAR-XYTVBORESA-N 2 1 266.473 3.806 10 0 CHAEMP CCC[NH2+]Cc1cc(C[N@@H+](C)[C@@H](C)C(C)C)oc1C ZINC000052478427 519943738 /nfs/dbraw/zinc/94/37/38/519943738.db2.gz CNFSOSVXMORTCT-ZDUSSCGKSA-N 2 1 266.429 3.564 10 0 CHAEMP CC[NH2+]Cc1cc(C[N@@H+](C)[C@@H](C)C(C)(C)C)c(C)o1 ZINC000052504579 519987743 /nfs/dbraw/zinc/98/77/43/519987743.db2.gz QOEARGOVBGLBNW-ZDUSSCGKSA-N 2 1 266.429 3.564 10 0 CHAEMP CC[N@@H+]([C@@H](C)CC[NH2+]CC(C)C)C1CCCCC1 ZINC000052420177 521472962 /nfs/dbraw/zinc/47/29/62/521472962.db2.gz VJDCPONJDGJGCK-HNNXBMFYSA-N 2 1 254.462 3.665 10 0 CHAEMP CC(C)C[NH2+]CC[C@H](C)[N@H+](C)Cc1ccc(Cl)s1 ZINC000052509279 519744073 /nfs/dbraw/zinc/74/40/73/519744073.db2.gz XSWFIJBFIZLBOE-LBPRGKRZSA-N 2 1 288.888 3.858 10 0 CHAEMP CC(C)C[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000052509279 519744075 /nfs/dbraw/zinc/74/40/75/519744075.db2.gz XSWFIJBFIZLBOE-LBPRGKRZSA-N 2 1 288.888 3.858 10 0 CHAEMP CC(C)C[C@@H](C)[N@@H+](C)Cc1cc(C[NH2+]C(C)C)co1 ZINC000052571964 519772685 /nfs/dbraw/zinc/77/26/85/519772685.db2.gz VCXNKWFZAPUNLR-CQSZACIVSA-N 2 1 266.429 3.644 10 0 CHAEMP CCC[NH2+]Cc1ccc(C[N@@H+](CCC)C2CC2)cc1 ZINC000052449203 519947442 /nfs/dbraw/zinc/94/74/42/519947442.db2.gz DSAMNECXLRIJLI-UHFFFAOYSA-N 2 1 260.425 3.561 10 0 CHAEMP CC[NH2+]Cc1cccc(C[N@@H+](CC)C2CCCC2)c1 ZINC000052457649 520004132 /nfs/dbraw/zinc/00/41/32/520004132.db2.gz KCSBCMWQBQYIMS-UHFFFAOYSA-N 2 1 260.425 3.561 10 0 CHAEMP CCCCC[N@H+](C(C)C)[C@H](C[NH2+]C)c1ccccc1 ZINC000052544875 520148803 /nfs/dbraw/zinc/14/88/03/520148803.db2.gz HTHJKDKSBHKDKU-QGZVFWFLSA-N 2 1 262.441 3.848 10 0 CHAEMP CCCCC[N@@H+](C(C)C)[C@H](C[NH2+]C)c1ccccc1 ZINC000052544875 520148811 /nfs/dbraw/zinc/14/88/11/520148811.db2.gz HTHJKDKSBHKDKU-QGZVFWFLSA-N 2 1 262.441 3.848 10 0 CHAEMP CC[N@H+]1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)c2ccsc2)C1 ZINC000061361147 521650532 /nfs/dbraw/zinc/65/05/32/521650532.db2.gz RBUJALNTLVDUCD-RDBSUJKOSA-N 2 1 266.454 3.519 10 0 CHAEMP CCC[N@@H+](Cc1csc(C[NH2+]CC(C)C)n1)C(C)C ZINC000052450094 521692863 /nfs/dbraw/zinc/69/28/63/521692863.db2.gz DHRRLAFDCDGNAO-UHFFFAOYSA-N 2 1 283.485 3.509 10 0 CHAEMP CC[C@@H](C)[N@@H+](C)Cc1cc(C[NH2+]C(C)(C)C)oc1C ZINC000052444294 522064227 /nfs/dbraw/zinc/06/42/27/522064227.db2.gz YEPFAGRYMFOTTD-GFCCVEGCSA-N 2 1 266.429 3.706 10 0 CHAEMP CC[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)C1CCCCC1 ZINC000052338738 522839265 /nfs/dbraw/zinc/83/92/65/522839265.db2.gz WEQLYTXJCQBLJR-DLBZAZTESA-N 2 1 266.473 3.809 10 0 CHAEMP CC[C@H]1CCCC[N@H+]1[C@@H](C)CCC[NH2+]CC(C)C ZINC000052447744 523031488 /nfs/dbraw/zinc/03/14/88/523031488.db2.gz MSFVZXIRLMLEIC-HOTGVXAUSA-N 2 1 254.462 3.665 10 0 CHAEMP Cc1ccccc1C[N@H+](C)[C@@H](C)CC[NH2+]C(C)(C)C ZINC000052547159 525131261 /nfs/dbraw/zinc/13/12/61/525131261.db2.gz UZVMWWBEDYKJMC-HNNXBMFYSA-N 2 1 262.441 3.594 10 0 CHAEMP CC[NH+](CC)CC[C@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000020274025 171130692 /nfs/dbraw/zinc/13/06/92/171130692.db2.gz JPCUJCSZCDCDDK-ZDUSSCGKSA-N 2 1 275.223 3.725 10 0 CHAEMP C[C@@H]1CC(C)(C)C[C@](C[NH3+])([N@H+]2CCc3ccccc3C2)C1 ZINC000020552830 171248038 /nfs/dbraw/zinc/24/80/38/171248038.db2.gz LNLOQXIKTZDOKA-DNVCBOLYSA-N 2 1 286.463 3.588 10 0 CHAEMP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000021054066 171295520 /nfs/dbraw/zinc/29/55/20/171295520.db2.gz LMQKXFYGYYONQT-UONOGXRCSA-N 2 1 254.462 3.521 10 0 CHAEMP CC[C@@H](C)C[C@](CC)(C[NH3+])[N@H+](C)Cc1ccsc1 ZINC000035719086 172372788 /nfs/dbraw/zinc/37/27/88/172372788.db2.gz YOYREZVYFDPOHB-UKRRQHHQSA-N 2 1 268.470 3.724 10 0 CHAEMP CC[C@@H](C)C[C@](CC)(C[NH3+])[N@@H+](C)Cc1ccsc1 ZINC000035719086 172372790 /nfs/dbraw/zinc/37/27/90/172372790.db2.gz YOYREZVYFDPOHB-UKRRQHHQSA-N 2 1 268.470 3.724 10 0 CHAEMP Cc1ccc(N2CCC([NH2+][C@@H](C)CCC3CC3)CC2)[nH+]c1 ZINC000186355733 329343624 /nfs/dbraw/zinc/34/36/24/329343624.db2.gz VLYQOUXNXBBICA-HNNXBMFYSA-N 2 1 287.451 3.527 10 0 CHAEMP CC[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000309783440 333049505 /nfs/dbraw/zinc/04/95/05/333049505.db2.gz LTSXXLRKRVSHOG-UHOSZYNNSA-N 2 1 288.479 3.921 10 0 CHAEMP CCC(CC)[C@@H](C[NH2+][C@H]1CC[C@@H](CC)C1)[NH+](C)C ZINC000227188869 333277913 /nfs/dbraw/zinc/27/79/13/333277913.db2.gz XUMNSQROPSIZLE-VNQPRFMTSA-N 2 1 254.462 3.521 10 0 CHAEMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)c1ccc(F)c(Cl)c1 ZINC000251344782 334360057 /nfs/dbraw/zinc/36/00/57/334360057.db2.gz QWVJWOADHIHMLN-IAQYHMDHSA-N 2 1 286.822 3.845 10 0 CHAEMP CC(C)[N@@H+](CCCCC[NH2+]C1CC1)Cc1cccs1 ZINC000052545024 519643085 /nfs/dbraw/zinc/64/30/85/519643085.db2.gz JDIZNPYAADLUCT-UHFFFAOYSA-N 2 1 280.481 3.881 10 0 CHAEMP CCC[NH2+]Cc1cc(C[N@@H+](C)[C@H](C)C(C)C)c(C)o1 ZINC000052478642 519946195 /nfs/dbraw/zinc/94/61/95/519946195.db2.gz RMHYHUPSBDDAKF-CYBMUJFWSA-N 2 1 266.429 3.564 10 0 CHAEMP CCCC[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](CCC)C1 ZINC000050887321 521010656 /nfs/dbraw/zinc/01/06/56/521010656.db2.gz REZHNJXDHFTEIE-OWCLPIDISA-N 2 1 254.462 3.665 10 0 CHAEMP CCC[NH2+]C1CC[NH+]([C@@H](CC)c2cccs2)CC1 ZINC000049530932 519906388 /nfs/dbraw/zinc/90/63/88/519906388.db2.gz ZHXBCIMKHNGCLU-AWEZNQCLSA-N 2 1 266.454 3.663 10 0 CHAEMP CC[NH2+]CCC[C@@H](C)[N@@H+](Cc1cccs1)C(C)C ZINC000052545008 519919748 /nfs/dbraw/zinc/91/97/48/519919748.db2.gz BRFSTVDFBMBLNN-CQSZACIVSA-N 2 1 268.470 3.737 10 0 CHAEMP CCC[NH2+]Cc1coc(C[N@@H+](C)[C@H](C)C(C)(C)C)c1 ZINC000052504489 519966202 /nfs/dbraw/zinc/96/62/02/519966202.db2.gz JUPXFLODVPWDDX-CYBMUJFWSA-N 2 1 266.429 3.646 10 0 CHAEMP CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C[N@@H+](CCC)C1CC1 ZINC000053865909 520024767 /nfs/dbraw/zinc/02/47/67/520024767.db2.gz BNZMQYRCUIXNSG-BFYDXBDKSA-N 2 1 266.473 3.665 10 0 CHAEMP CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2CC)c(Cl)c1 ZINC000061698470 520073886 /nfs/dbraw/zinc/07/38/86/520073886.db2.gz XRLPEZVVIJZIDH-NSHDSACASA-N 2 1 277.799 3.759 10 0 CHAEMP CCCC[N@@H+](C)Cc1ccccc1C[NH2+]C(C)(C)C ZINC000052418073 520421044 /nfs/dbraw/zinc/42/10/44/520421044.db2.gz XZCGURIGMVGEMO-UHFFFAOYSA-N 2 1 262.441 3.807 10 0 CHAEMP CC[N@@H+](Cc1ccccc1)[C@H](C)CCC[NH2+]C(C)C ZINC000052443792 521374368 /nfs/dbraw/zinc/37/43/68/521374368.db2.gz PZXWSAAHXOXCMI-MRXNPFEDSA-N 2 1 262.441 3.675 10 0 CHAEMP CCC[N@@H+](Cc1cc(C[NH2+]CC(C)C)co1)C(C)C ZINC000052450467 521680915 /nfs/dbraw/zinc/68/09/15/521680915.db2.gz YIYHPHUJFYYITB-UHFFFAOYSA-N 2 1 266.429 3.646 10 0 CHAEMP CC[C@@H]([NH2+][C@H](C)[C@@H]1CCC[N@@H+](C)C1)c1cccs1 ZINC000049529333 522936163 /nfs/dbraw/zinc/93/61/63/522936163.db2.gz RRQMZSLJLZZCED-MGPQQGTHSA-N 2 1 266.454 3.519 10 0 CHAEMP CC[C@@H]1CCCC[N@H+]1CCCCC[NH2+]C(C)(C)C ZINC000052447776 523166588 /nfs/dbraw/zinc/16/65/88/523166588.db2.gz PWJIEQREFJBGTN-OAHLLOKOSA-N 2 1 254.462 3.809 10 0 CHAEMP Cc1ccc([C@H](C)[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)o1 ZINC000227398969 525935509 /nfs/dbraw/zinc/93/55/09/525935509.db2.gz WAJGXICZEYNPMR-AEGPPILISA-N 2 1 264.413 3.549 10 0 CHAEMP C[C@H](c1ccc(Cl)cc1)[N@H+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602564 526049570 /nfs/dbraw/zinc/04/95/70/526049570.db2.gz RRVRQVOKVYIHDF-GVZPALNKSA-N 2 1 278.827 3.745 10 0 CHAEMP C[C@H](c1ccc(Cl)cc1)[N@@H+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602564 526049576 /nfs/dbraw/zinc/04/95/76/526049576.db2.gz RRVRQVOKVYIHDF-GVZPALNKSA-N 2 1 278.827 3.745 10 0 CHAEMP Cc1[nH+]ccn1-c1cccc(Cl)c1C[NH2+]C(C)(C)C ZINC000062738622 527384310 /nfs/dbraw/zinc/38/43/10/527384310.db2.gz KNRQBNXPBFETAV-UHFFFAOYSA-N 2 1 277.799 3.722 10 0 CHAEMP CCC[N@H+]1CC[C@@H]([NH3+])C12CCC(C(C)(C)CC)CC2 ZINC000712032410 567836647 /nfs/dbraw/zinc/83/66/47/567836647.db2.gz OXVCIPZSQDDLGC-ISXOHVOVSA-N 2 1 266.473 3.795 10 0 CHAEMP